A0A2K5Y4C6_MANLE Loading...

Synaptotagmin 9

AlphaFold DB , UniProt , Accession A0A2K5Y4C6, Species MANLE (Mandrillus leucophaeus, Drill), Gene SYT9, Length 491 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
1M41.7Very low60Low218 Ų218113.9 Ų113.9100%1.07463%0.627SS**  0118.50-65.6-50.3-172.800109.3
2P45.6Very low61.2Low108 Ų108108.7 Ų108.770%0.70161%0.61SS**  trans-69.2-50-176.3-22.234.7000114.3A4 R5P2-A4 PolarHBondContact O-N 3.45Å; P2-R5 PolarHBondContact O-N 3.27Å; P2-R5 VanDerWaalsContact O-N 3.12Å
3G52.5Low62.4Low47 Ų47103.5 Ų103.549%0.48558%0.58SS.*THydrogen-bonded Turntrans-63.6-8.9-164.700000117.6R5G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 3.09Å
4A53.2Low63.3Low68 Ų68106.3 Ų106.356%0.56259%0.586SS**Hα-helixtrans-68.9-26.1173.500000112.8P2P2-A4 PolarHBondContact O-N 3.45Å
5R54.5Low64.2Low209 Ų209106.2 Ų106.279%0.78958%0.584SS**Hα-helixtrans-79.1-35.2177.5-72.9-177.3169.6179.7-4.4112.5P2 G3 L8 C9P2-R5 PolarHBondContact O-N 3.27Å; P2-R5 VanDerWaalsContact O-N 3.12Å; G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 3.09Å; R5-L8 PolarHBondContact O-N 2.97Å; R5-C9 PolarHBondContact O-N 3.36Å; R5-C9 VanDerWaalsContact O-N 3.1Å
6D61.8Low64.9Low100 Ų100104.3 Ų104.354%0.53557%0.572SS.*Hα-helixtrans-69.5-37-177.5-54.8-42.5000111.9C9 H10D6-C9 WeakPolarHBondContact O-CB 3.34Å; D6-C9 PolarHBondContact O-N 3.21Å; D6-H10 PolarHBondContact O-N 3.49Å
7A67.1Low65.4Low57 Ų57100.3 Ų100.347%0.47156%0.556SS.*Hα-helixtrans-61-44.8175.100000112.7C9 H10 Q11A7-C9 VanDerWaalsContact C-N 3.34Å; A7-H10 PolarHBondContact O-N 3.04Å; A7-Q11 PolarHBondContact O-N 3.26Å
8L68Low66.1Low117 Ų11799.7 Ų99.761%0.61355%0.549SS*.Hα-helixtrans-64.2-39175.5-69.3168.9000111.6R5 Q11 A12R5-L8 PolarHBondContact O-N 2.97Å; L8-Q11 PolarHBondContact O-N 3.21Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.31Å
9C69.6Low66.6Low67 Ų6798.7 Ų98.745%0.45354%0.542SS..Hα-helixtrans-62.7-43.4175.8-167.90000111.8R5 D6 A7 A12 L13R5-C9 PolarHBondContact O-N 3.36Å; R5-C9 VanDerWaalsContact O-N 3.1Å; D6-C9 WeakPolarHBondContact O-CB 3.34Å; D6-C9 PolarHBondContact O-N 3.21Å; A7-C9 VanDerWaalsContact C-N 3.34Å; C9-A12 PolarHBondContact O-N 3.26Å; C9-L13 WeakPolarHBondContact O-CG 3.38Å; C9-L13 PolarHBondContact O-N 2.91Å
10H72Confident66.9Low137 Ų13794.7 Ų94.763%0.63452%0.521SS*.Hα-helixtrans-63.2-43.8174.8-84.9-154.2000112.9D6 A7 A12 L13 Q14D6-H10 PolarHBondContact O-N 3.49Å; A7-H10 PolarHBondContact O-N 3.04Å; H10-A12 VanDerWaalsContact C-N 3.35Å; H10-A12 PolarHBondContact O-N 2.92Å; H10-L13 PolarHBondContact O-N 3.09Å; H10-Q14 WeakPolarHBondContact O-CB 2.98Å; H10-Q14 PolarHBondContact O-N 3.12Å
11Q73.9Confident67.1Low125 Ų12594.4 Ų94.458%0.58453%0.531SS*.Hα-helixtrans-62.4-40.2175.6-79.3-173.7-63.700112.5A7 L8 Q14 L15A7-Q11 PolarHBondContact O-N 3.26Å; L8-Q11 PolarHBondContact O-N 3.21Å; Q11-Q14 PolarHBondContact O-N 2.81Å; Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 2.79Å
12A74.3Confident68.8Low51 Ų5192.6 Ų92.642%0.42151%0.512SS..Hα-helixtrans-63.4-43.9176.600000112.4L8 C9 H10 Q14 L15 L16L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.31Å; C9-A12 PolarHBondContact O-N 3.26Å; H10-A12 VanDerWaalsContact C-N 3.35Å; H10-A12 PolarHBondContact O-N 2.92Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.17Å; A12-L15 PolarHBondContact O-N 3.05Å; A12-L16 WeakPolarHBondContact O-CG 3.38Å; A12-L16 PolarHBondContact O-N 3.42Å
13L77.3Confident69.8Low42 Ų4290.4 Ų90.422%0.2251%0.509CS..Hα-helixtrans-63.5-38176.2-70.9171.1000112.4C9 H10 L16 A17 F33C9-L13 WeakPolarHBondContact O-CG 3.38Å; C9-L13 PolarHBondContact O-N 2.91Å; H10-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.1Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.91Å; L13-F33 HydrophobicContact CD2-CE2 3.88Å; L13-F33 HydrophobicContact CD2-CZ 3.78Å
14Q75.1Confident70.5Confident142 Ų14291.4 Ų91.466%0.66451%0.513SS*.Hα-helixtrans-68.1-40.6178.7-169.4170.3-0.900112.1H10 Q11 A12 A17 E18H10-Q14 WeakPolarHBondContact O-CB 2.98Å; H10-Q14 PolarHBondContact O-N 3.12Å; Q11-Q14 PolarHBondContact O-N 2.81Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.17Å; Q14-A17 PolarHBondContact O-N 2.96Å; Q14-E18 PolarHBondContact O-N 3.09Å; Q14-E18 VanDerWaalsContact O-N 3.11Å
15L77.1Confident71.1Confident105 Ų10592.3 Ų92.355%0.5551%0.507SS..Hα-helixtrans-64.2-42.6173.7-76.5165.4000112.4Q11 A12 E18 L19Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 2.79Å; A12-L15 PolarHBondContact O-N 3.05Å; L15-E18 PolarHBondContact O-N 3.34Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.23Å
16L74.3Confident71.6Confident75 Ų7589.8 Ų89.839%0.39351%0.505SS..Hα-helixtrans-62.9-42.3176.7-74.5167.7000112A12 L13 E18 L19 C20 F33A12-L16 WeakPolarHBondContact O-CG 3.38Å; A12-L16 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 3.1Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 2.76Å; L16-C20 PolarHBondContact O-N 2.87Å; L16-F33 HydrophobicContact CB-CE1 3.64Å; L16-F33 HydrophobicContact CB-CE2 4.45Å; L16-F33 HydrophobicContact CB-CZ 3.56Å; L16-F33 HydrophobicContact CD1-CE2 4.16Å; L16-F33 HydrophobicContact CD1-CZ 3.95Å; L16-F33 HydrophobicContact CG-CZ 4.41Å
17A74.3Confident71.6Confident37 Ų3792 Ų9231%0.30651%0.512SS..Hα-helixtrans-62-39.4175.800000112L13 Q14 A21 F33 L37L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.91Å; Q14-A17 PolarHBondContact O-N 2.96Å; A17-A21 WeakPolarHBondContact O-CB 3.19Å; A17-A21 PolarHBondContact O-N 3.4Å; A17-F33 HydrophobicContact CB-CE1 4.49Å; A17-L37 HydrophobicContact CB-CD1 4.34Å
18E77.2Confident71.2Confident90 Ų9095 Ų9542%0.42152%0.52SS..Hα-helixtrans-70.6-38.2177.2-174169.1-16000113Q14 L15 L16 A21 R22Q14-E18 PolarHBondContact O-N 3.09Å; Q14-E18 VanDerWaalsContact O-N 3.11Å; L15-E18 PolarHBondContact O-N 3.34Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.35Å; E18-A21 PolarHBondContact O-N 2.89Å; E18-R22 WeakPolarHBondContact O-CB 3.4Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.25Å; E18-R22 PolarHBondContact O-N 3.4Å; E18-R22 IonicContact OE1-CZ 3.05Å; E18-R22 IonicContact OE1-NE 3.35Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.74Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å
19L75.4Confident70.9Confident80 Ų8093.3 Ų93.342%0.41952%0.517SS..Hα-helixtrans-64.4-40.9174.9-72.3168.9000112.2L15 L16 R22 G23 A24 L25L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 2.76Å; L19-R22 PolarHBondContact O-N 2.87Å; L19-G23 PolarHBondContact O-N 2.87Å; L19-A24 PolarHBondContact O-N 3.21Å; L19-L25 HydrophobicContact CB-CD1 3.95Å
20C74.1Confident70.7Confident18 Ų1890.6 Ų90.612%0.12250%0.499CS..Hα-helixtrans-64.2-43.4171.8-79.20000112.4L16 R22 G23 C30L16-C20 PolarHBondContact O-N 2.87Å; C20-R22 PolarHBondContact O-N 2.91Å; C20-G23 PolarHBondContact O-N 2.83Å; C20-C30 WeakPolarHBondContact CA-SG 3.48Å; C20-C30 HydrophobicContact CB-CB 3.69Å; C20-C30 WeakPolarHBondContact CB-SG 3.47Å; C20-C30 VanDerWaalsContact SG-CA 3.52Å; C20-C30 WeakPolarHBondContact SG-CB 3.34Å; C20-C30 CovalentContact SG-SG 2.04Å; C20-C30 PolarHBondContact SG-SG 2.87Å
21A71.4Confident70.3Confident89 Ų8989.7 Ų89.774%0.73650%0.495SS*.Hα-helixtrans-64.1-26.1177.400000113.4A17 E18A17-A21 WeakPolarHBondContact O-CB 3.19Å; A17-A21 PolarHBondContact O-N 3.4Å; E18-A21 PolarHBondContact O-N 2.89Å
22R75.4Confident69.7Low181 Ų18189.4 Ų89.468%0.68350%0.498SS*.THydrogen-bonded Turntrans-87.30.1174.8-68.1173.3-177.7-143.77.3113.9E18 L19 C20 A24E18-R22 WeakPolarHBondContact O-CB 3.4Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.25Å; E18-R22 PolarHBondContact O-N 3.4Å; E18-R22 IonicContact OE1-CZ 3.05Å; E18-R22 IonicContact OE1-NE 3.35Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.74Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å; L19-R22 PolarHBondContact O-N 2.87Å; C20-R22 PolarHBondContact O-N 2.91Å; R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 PolarHBondContact O-N 2.72Å
23G66.9Low69.3Low61 Ų6189.4 Ų89.463%0.62949%0.488SS*.THydrogen-bonded Turntrans67.923.2178.200000114.7L19 C20 L25L19-G23 PolarHBondContact O-N 2.87Å; C20-G23 PolarHBondContact O-N 2.83Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.74Å
24A66.9Low68.7Low68 Ų6891.7 Ų91.756%0.56250%0.5SS*.  trans-87.48.6-176.300000114.1L19 R22L19-A24 PolarHBondContact O-N 3.21Å; R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 PolarHBondContact O-N 2.72Å
25L66.1Low68Low87 Ų8793.2 Ų93.246%0.45550%0.501SS..SBendtrans-142.7158.6-173.9-70.7171.4000109.6L19 G23L19-L25 HydrophobicContact CB-CD1 3.95Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.74Å
26E66.1Low67Low157 Ų15795.3 Ų95.373%0.73451%0.507SS*.  trans-62.6140.2-178.1-63.7-176.6152.900112.4D28 S29 C30E26-D28 PolarHBondContact O-N 3.38Å; E26-S29 PolarHBondContact O-N 3.05Å; E26-C30 PolarHBondContact O-N 3.15Å
27H60.9Low66.4Low147 Ų14794.1 Ų94.168%0.68150%0.501SS*.Hα-helixtrans-62-49.2-163.7-161.659.1000112.9S29 C30 Q31H27-S29 PolarHBondContact O-N 3.25Å; H27-C30 WeakPolarHBondContact O-CB 3.46Å; H27-C30 PolarHBondContact O-N 3Å; H27-C30 VanDerWaalsContact O-N 3.14Å; H27-Q31 PolarHBondContact O-N 3.2Å
28D59Low65.6Low120 Ų120101.5 Ų101.564%0.64252%0.521SS*.Hα-helixtrans-61.6-44.4-177.6-59.54.7000111.6E26 C30 Q31 D32E26-D28 PolarHBondContact O-N 3.38Å; D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.3Å; D28-Q31 WeakPolarHBondContact O-CB 3.26Å; D28-Q31 PolarHBondContact O-N 3.36Å; D28-D32 PolarHBondContact O-N 3.28Å; D28-D32 VanDerWaalsContact O-N 3.11Å
29S62.9Low64.4Low80 Ų80101.4 Ų101.456%0.55952%0.524SS*.Hα-helixtrans-58.8-37.8176-72.40000112.3E26 H27 F33E26-S29 PolarHBondContact O-N 3.05Å; H27-S29 PolarHBondContact O-N 3.25Å; S29-F33 WeakPolarHBondContact O-CB 3.26Å; S29-F33 PolarHBondContact O-N 2.88Å
30C64.8Low63.2Low10 Ų10107.4 Ų107.47%0.06854%0.541CS..Hα-helixtrans-74.6-31.4174.4-76.40000113C20 E26 H27 D28 F33 I34C20-C30 WeakPolarHBondContact CA-SG 3.48Å; C20-C30 HydrophobicContact CB-CB 3.69Å; C20-C30 WeakPolarHBondContact CB-SG 3.47Å; C20-C30 VanDerWaalsContact SG-CA 3.52Å; C20-C30 WeakPolarHBondContact SG-CB 3.34Å; C20-C30 CovalentContact SG-SG 2.04Å; C20-C30 PolarHBondContact SG-SG 2.87Å; E26-C30 PolarHBondContact O-N 3.15Å; H27-C30 WeakPolarHBondContact O-CB 3.46Å; H27-C30 PolarHBondContact O-N 3Å; H27-C30 VanDerWaalsContact O-N 3.14Å; D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.3Å; C30-F33 PolarHBondContact O-N 3.47Å; C30-I34 WeakPolarHBondContact O-CB 3.16Å; C30-I34 WeakPolarHBondContact O-CD1 3.11Å; C30-I34 WeakPolarHBondContact O-CG1 3.31Å; C30-I34 PolarHBondContact O-N 3.3Å
31Q62.3Low61.6Low118 Ų118110.2 Ų110.255%0.55157%0.565SS**Hα-helixtrans-67.2-46.5-179.3-163.116614.900111.3H27 D28 I34 Y35H27-Q31 PolarHBondContact O-N 3.2Å; D28-Q31 WeakPolarHBondContact O-CB 3.26Å; D28-Q31 PolarHBondContact O-N 3.36Å; Q31-I34 PolarHBondContact O-N 3.47Å; Q31-Y35 WeakPolarHBondContact O-CB 3.49Å; Q31-Y35 PolarHBondContact O-N 3.47Å
32D61.7Low59.9Low119 Ų119114.4 Ų114.464%0.63656%0.562SS**Hα-helixtrans-63.8-43174-84.2-12.7000112.2D28 I34 Y35 H36D28-D32 PolarHBondContact O-N 3.28Å; D28-D32 VanDerWaalsContact O-N 3.11Å; D32-I34 PolarHBondContact O-N 2.82Å; D32-Y35 WeakPolarHBondContact O-CB 3.47Å; D32-Y35 PolarHBondContact O-N 2.78Å; D32-H36 PolarHBondContact O-N 2.75Å
33F66.5Low58Low51 Ų51111.4 Ų111.422%0.22457%0.566CS.*Hα-helixtrans-62.4-42.5178.6-176.6-106.1000112.4L13 L16 A17 S29 C30 Y35 H36 L37L13-F33 HydrophobicContact CD2-CE2 3.88Å; L13-F33 HydrophobicContact CD2-CZ 3.78Å; L16-F33 HydrophobicContact CB-CE1 3.64Å; L16-F33 HydrophobicContact CB-CE2 4.45Å; L16-F33 HydrophobicContact CB-CZ 3.56Å; L16-F33 HydrophobicContact CD1-CE2 4.16Å; L16-F33 HydrophobicContact CD1-CZ 3.95Å; L16-F33 HydrophobicContact CG-CZ 4.41Å; A17-F33 HydrophobicContact CB-CE1 4.49Å; S29-F33 WeakPolarHBondContact O-CB 3.26Å; S29-F33 PolarHBondContact O-N 2.88Å; C30-F33 PolarHBondContact O-N 3.47Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-H36 PolarHBondContact O-N 3.38Å; F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CE1-CD1 3.42Å; F33-L37 VanDerWaalsContact CE1-CD1 3.42Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F33-L37 HydrophobicContact CZ-CD1 3.74Å; F33-L37 HydrophobicContact CZ-CG 4.38Å; F33-L37 PolarHBondContact O-N 2.54Å
34I63.7Low56.5Low91 Ų91120.2 Ų120.247%0.46758%0.58SS.*Hα-helixtrans-65.1-39.2174.7-71.8167.4000110.8C30 Q31 D32 L37 R38C30-I34 WeakPolarHBondContact O-CB 3.16Å; C30-I34 WeakPolarHBondContact O-CD1 3.11Å; C30-I34 WeakPolarHBondContact O-CG1 3.31Å; C30-I34 PolarHBondContact O-N 3.3Å; Q31-I34 PolarHBondContact O-N 3.47Å; D32-I34 PolarHBondContact O-N 2.82Å; I34-L37 PolarHBondContact O-N 2.84Å; I34-R38 VanDerWaalsContact O-CB 3.31Å; I34-R38 WeakPolarHBondContact O-CB 3.29Å; I34-R38 PolarHBondContact O-N 2.94Å
35Y60.3Low55Low173 Ų173124 Ų12468%0.67859%0.591SS**Hα-helixtrans-63.1-45.3176.6-152.4-88.5000111.5Q31 D32 F33 L37 R38 D39Q31-Y35 WeakPolarHBondContact O-CB 3.49Å; Q31-Y35 PolarHBondContact O-N 3.47Å; D32-Y35 WeakPolarHBondContact O-CB 3.47Å; D32-Y35 PolarHBondContact O-N 2.78Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 3.28Å; Y35-R38 PolarHBondContact O-N 3.37Å; Y35-D39 PolarHBondContact O-N 2.87Å; Y35-D39 VanDerWaalsContact O-N 3.16Å
36H57.8Low53.5Low149 Ų149130.8 Ų130.869%0.6961%0.61SS**Hα-helixtrans-63.6-39.9176.9-107.9-54.5000113.4D32 F33 R40D32-H36 PolarHBondContact O-N 2.75Å; F33-H36 PolarHBondContact O-N 3.38Å; H36-R40 PolarHBondContact O-N 2.98Å
37L61Low52.7Low51 Ų51128.8 Ų128.827%0.26760%0.604SS.*Hα-helixtrans-66.3-40.3173.7-84.6172.1000111.9A17 F33 I34 Y35 D39 R40 A41A17-L37 HydrophobicContact CB-CD1 4.34Å; F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CE1-CD1 3.42Å; F33-L37 VanDerWaalsContact CE1-CD1 3.42Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F33-L37 HydrophobicContact CZ-CD1 3.74Å; F33-L37 HydrophobicContact CZ-CG 4.38Å; F33-L37 PolarHBondContact O-N 2.54Å; I34-L37 PolarHBondContact O-N 2.84Å; Y35-L37 PolarHBondContact O-N 3.28Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.09Å; L37-R40 PolarHBondContact O-N 2.96Å; L37-A41 WeakPolarHBondContact O-CB 3.46Å; L37-A41 PolarHBondContact O-N 2.8Å
38R58.3Low51.8Low192 Ų192126 Ų12673%0.72560%0.599SS**Hα-helixtrans-62-36.7-179.9-166.7176.9-164.9167.45.4112.5I34 Y35 A41I34-R38 VanDerWaalsContact O-CB 3.31Å; I34-R38 WeakPolarHBondContact O-CB 3.29Å; I34-R38 PolarHBondContact O-N 2.94Å; Y35-R38 PolarHBondContact O-N 3.37Å; R38-A41 PolarHBondContact O-N 3.3Å
39D50.8Low51.1Low88 Ų88125.1 Ų125.147%0.47159%0.594SS.*Hα-helixtrans-76.5-33.2178-140.846.2000112.5Y35 L37 A41 R42Y35-D39 PolarHBondContact O-N 2.87Å; Y35-D39 VanDerWaalsContact O-N 3.16Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.09Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 2.58Å; D39-R42 IonicContact OD1-CZ 3.66Å; D39-R42 IonicContact OD1-NE 3.84Å; D39-R42 PolarHBondContact OD1-NE 2.82Å; D39-R42 IonicContact OD1-NH2 2.81Å; D39-R42 PolarHBondContact OD1-NH2 2.77Å
40R49.7Very low50.6Low205 Ų205126.4 Ų126.477%0.77459%0.594SS**Hα-helixtrans-67-25.7168.7-104.9-178.4172.5171.1-1.3113.9H36 L37 R42H36-R40 PolarHBondContact O-N 2.98Å; L37-R40 PolarHBondContact O-N 2.96Å; R40-R42 VanDerWaalsContact C-N 3.33Å
41A40.5Very low50.1Low77 Ų77129.9 Ų129.964%0.63662%0.618SS**THydrogen-bonded Turntrans-82.2-2.6-178.600000114.3L37 R38 D39 P43L37-A41 WeakPolarHBondContact O-CB 3.46Å; L37-A41 PolarHBondContact O-N 2.8Å; R38-A41 PolarHBondContact O-N 3.3Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 2.58Å; A41-P43 WeakPolarHBondContact O-CD 3.45Å
42R37.3Very low49.8Very low177 Ų177128.7 Ų128.767%0.66862%0.619SS**SBendtrans-66.6123.8173.1-62.3-169.6-161-143.59.2110.2D39 R40 R44D39-R42 IonicContact OD1-CZ 3.66Å; D39-R42 IonicContact OD1-NE 3.84Å; D39-R42 PolarHBondContact OD1-NE 2.82Å; D39-R42 IonicContact OD1-NH2 2.81Å; D39-R42 PolarHBondContact OD1-NH2 2.77Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 2.67Å
43P33.6Very low50Low119 Ų119126.6 Ų126.677%0.77361%0.613SS**  trans-61.2130.4173.6-22.133.7000110.6A41 L45A41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-L45 PolarHBondContact O-N 2.71Å; P43-L45 VanDerWaalsContact O-N 3.1Å
44R35.8Very low50.1Low245 Ų245129.2 Ų129.293%0.92563%0.629SS**  trans-67.9107.2162.4-73.3-177.1176.6176.3-1.9107.4R42 R46R42-R44 PolarHBondContact O-N 2.67Å; R44-R46 PolarHBondContact O-N 3.49Å
45L36Very low50.5Low149 Ų149130.6 Ų130.678%0.7864%0.637SS**  trans-59128.1176.9-152.976.4000108.8P43P43-L45 PolarHBondContact O-N 2.71Å; P43-L45 VanDerWaalsContact O-N 3.1Å
46R35.2Very low51.2Low229 Ų229126 Ų12686%0.86463%0.627SS**  trans-108.8136.9175.1-144.2178.8-173.9-172.10.4106.7R44R44-R46 PolarHBondContact O-N 3.49Å
47D47.4Very low52.4Low115 Ų115124.2 Ų124.262%0.61562%0.622SS**SBendtrans-51.5135.7-165.4-60.5-90.6000114.5I50D47-I50 VanDerWaalsContact OD1-CD1 3.23Å; D47-I50 WeakPolarHBondContact OD1-CD1 3.44Å; D47-I50 WeakPolarHBondContact OD1-CG1 3.41Å
48P43.5Very low53.5Low87 Ų87125.1 Ų125.157%0.56563%0.629SS**SBend-127.6-19.5105.635.8-30.9000115I50 S51P48-I50 PolarHBondContact O-N 2.86Å; P48-S51 PolarHBondContact O-N 3.07Å; P48-S51 PolarHBondContact O-OG 2.43Å
49D43.3Very low55Low102 Ų102120.4 Ų120.455%0.54562%0.622SS.*THydrogen-bonded Turntrans-74.6-20.2-161.5-59-45.5000115.5S51 V52 S53D49-S51 PolarHBondContact O-N 3.35Å; D49-V52 PolarHBondContact O-N 2.84Å; D49-S53 PolarHBondContact O-N 3.22Å; D49-S53 VanDerWaalsContact O-N 3.09Å
50I52.5Low56.7Low107 Ų107120.1 Ų120.155%0.54962%0.624SS.*Hα-helixtrans-61.2-32.7178.7-63.3-169000111.2D47 P48 L54D47-I50 VanDerWaalsContact OD1-CD1 3.23Å; D47-I50 WeakPolarHBondContact OD1-CD1 3.44Å; D47-I50 WeakPolarHBondContact OD1-CG1 3.41Å; P48-I50 PolarHBondContact O-N 2.86Å; I50-L54 VanDerWaalsContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 3.4Å
51S54.6Low58.5Low83 Ų83112.9 Ų112.958%0.5861%0.608SS**Hα-helixtrans-60.7-47178.163.60000112.6P48 D49 L55P48-S51 PolarHBondContact O-N 3.07Å; P48-S51 PolarHBondContact O-OG 2.43Å; D49-S51 PolarHBondContact O-N 3.35Å; S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.3Å; S51-L55 PolarHBondContact O-N 3.23Å
52V56.8Low60.9Low93 Ų93112.5 Ų112.556%0.56460%0.599SS**Hα-helixtrans-72.9-40.5-179.4-176.70000111.2D49 T56D49-V52 PolarHBondContact O-N 2.84Å; V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.41Å; V52-T56 PolarHBondContact O-N 3.03Å; V52-T56 PolarHBondContact O-OG1 2.91Å
53S65.8Low63.4Low75 Ų75105.8 Ų105.852%0.52459%0.585SS.*Hα-helixtrans-64.3-44.2177.1-1730000112.3D49 T56 L57D49-S53 PolarHBondContact O-N 3.22Å; D49-S53 VanDerWaalsContact O-N 3.09Å; S53-T56 WeakPolarHBondContact CA-OG1 3.32Å; S53-T56 PolarHBondContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 3.1Å; S53-T56 VanDerWaalsContact O-OG1 3.04Å; S53-L57 WeakPolarHBondContact O-CB 3.04Å; S53-L57 PolarHBondContact O-N 3.44Å
54L68.1Low66.2Low107 Ų107106.1 Ų106.156%0.5658%0.58SS**Hα-helixtrans-73.2-37179.2-159.4150.2000111.6I50 L57 V58I50-L54 VanDerWaalsContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 3.4Å; L54-L57 PolarHBondContact O-N 2.85Å; L54-V58 HydrophobicContact CD2-CG2 3.98Å; L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.11Å
55L71.3Confident68.8Low120 Ų12097.3 Ų97.363%0.62856%0.56SS**Hα-helixtrans-62.8-44.6172.7-166.587.3000111.6S51 V58 V59S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.3Å; S51-L55 PolarHBondContact O-N 3.23Å; L55-V58 PolarHBondContact O-N 3.22Å; L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.22Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 3.33Å
56T76.1Confident71.4Confident76 Ų7696.1 Ų96.147%0.46655%0.553SS.*Hα-helixtrans-67.9-34.6176.847.50000112.5V52 S53 T60V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.41Å; V52-T56 PolarHBondContact O-N 3.03Å; V52-T56 PolarHBondContact O-OG1 2.91Å; S53-T56 WeakPolarHBondContact CA-OG1 3.32Å; S53-T56 PolarHBondContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 3.1Å; S53-T56 VanDerWaalsContact O-OG1 3.04Å; T56-T60 WeakPolarHBondContact O-CB 3.22Å; T56-T60 WeakPolarHBondContact O-CG2 3.47Å; T56-T60 PolarHBondContact O-N 3.25Å; T56-T60 PolarHBondContact O-OG1 3.32Å
57L82Confident74Confident112 Ų11291.2 Ų91.259%0.58654%0.538SS*.Hα-helixtrans-66-41.2172.4-169.6148.6000112S53 L54 T60 A61S53-L57 WeakPolarHBondContact O-CB 3.04Å; S53-L57 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 2.85Å; L57-T60 WeakPolarHBondContact CA-OG1 3.46Å; L57-T60 PolarHBondContact O-OG1 3.42Å; L57-T60 VanDerWaalsContact O-OG1 3.13Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.09Å; L57-A61 PolarHBondContact O-N 3.14Å
58V85.7Confident76.1Confident69 Ų6987.5 Ų87.542%0.41853%0.527SS..Hα-helixtrans-66.8-45.8174.3169.70000111.3L54 L55 T60 A61 C62L54-V58 HydrophobicContact CD2-CG2 3.98Å; L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.11Å; L55-V58 PolarHBondContact O-N 3.22Å; V58-T60 VanDerWaalsContact C-N 3.35Å; V58-T60 PolarHBondContact O-N 2.92Å; V58-A61 PolarHBondContact O-N 2.92Å; V58-C62 WeakPolarHBondContact O-CB 3.43Å; V58-C62 PolarHBondContact O-N 2.98Å; V58-C62 PolarHBondContact O-SG 3.01Å; V58-C62 VanDerWaalsContact O-SG 3.4Å
59V88.2Confident78.3Confident93 Ų9387.6 Ų87.656%0.56453%0.526SS*.Hα-helixtrans-63.6-38.6178.4168.40000111.7L55 G63L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.22Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 3.33Å; V59-G63 WeakPolarHBondContact O-CA 3.18Å; V59-G63 PolarHBondContact O-N 3.12Å
60T87.1Confident80.3Confident83 Ų8385.7 Ų85.751%0.50952%0.521SS..Hα-helixtrans-72.2-39.8175.150.20000112.3T56 L57 V58 G63 L64T56-T60 WeakPolarHBondContact O-CB 3.22Å; T56-T60 WeakPolarHBondContact O-CG2 3.47Å; T56-T60 PolarHBondContact O-N 3.25Å; T56-T60 PolarHBondContact O-OG1 3.32Å; L57-T60 WeakPolarHBondContact CA-OG1 3.46Å; L57-T60 PolarHBondContact O-OG1 3.42Å; L57-T60 VanDerWaalsContact O-OG1 3.13Å; V58-T60 VanDerWaalsContact C-N 3.35Å; V58-T60 PolarHBondContact O-N 2.92Å; T60-G63 PolarHBondContact O-N 2.92Å; T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3Å
61A88.1Confident82Confident53 Ų5385.2 Ų85.244%0.43852%0.519SS..Hα-helixtrans-63.3-47.3174.700000112.2L57 V58 L64 A65L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.09Å; L57-A61 PolarHBondContact O-N 3.14Å; V58-A61 PolarHBondContact O-N 2.92Å; A61-L64 PolarHBondContact O-N 2.89Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.04Å
62C90.6Very high83.4Confident69 Ų6988 Ų8847%0.46652%0.521SS..Hα-helixtrans-64.5-39.1174.2-70.60000111.8V58 A65 L66V58-C62 WeakPolarHBondContact O-CB 3.43Å; V58-C62 PolarHBondContact O-N 2.98Å; V58-C62 PolarHBondContact O-SG 3.01Å; V58-C62 VanDerWaalsContact O-SG 3.4Å; C62-A65 PolarHBondContact O-N 3.22Å; C62-L66 WeakPolarHBondContact O-CB 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.37Å; C62-L66 PolarHBondContact O-N 2.68Å
63G90.8Very high84.8Confident36 Ų3686.7 Ų86.737%0.37151%0.513SS..Hα-helixtrans-61.8-44.3175.300000112.7V59 T60 L66 F67V59-G63 WeakPolarHBondContact O-CA 3.18Å; V59-G63 PolarHBondContact O-N 3.12Å; T60-G63 PolarHBondContact O-N 2.92Å; G63-L66 PolarHBondContact O-N 3.19Å; G63-F67 VanDerWaalsContact O-CB 3.26Å; G63-F67 WeakPolarHBondContact O-CB 3.04Å; G63-F67 PolarHBondContact O-N 2.89Å
64L92.1Very high85.5Confident126 Ų12685.7 Ų85.766%0.6651%0.506SS*.Hα-helixtrans-67-38.6175.1-71.9170.2000112.2T60 A61 F67 G68T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3Å; A61-L64 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 3Å; L64-G68 PolarHBondContact O-N 2.93Å
65A89.4Confident86Confident60 Ų6088.3 Ų88.350%0.49651%0.508SS..Hα-helixtrans-64.5-46.5174.700000111.8A61 C62 F67 G68 V69A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.04Å; C62-A65 PolarHBondContact O-N 3.22Å; A65-F67 VanDerWaalsContact C-N 3.34Å; A65-F67 PolarHBondContact O-N 2.81Å; A65-G68 PolarHBondContact O-N 3.07Å; A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.25Å
66L91.2Very high86.4Confident124 Ų12489.1 Ų89.165%0.64951%0.507SS*.Hα-helixtrans-65.4-35.6175.7-71.5172000112.1C62 G63 V69 S70C62-L66 WeakPolarHBondContact O-CB 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.37Å; C62-L66 PolarHBondContact O-N 2.68Å; G63-L66 PolarHBondContact O-N 3.19Å; L66-V69 PolarHBondContact O-N 2.95Å; L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 2.92Å
67F90.5Very high86Confident126 Ų12691 Ų9155%0.55351%0.513SS*.Hα-helixtrans-66.2-40.6172.2-174.2-109.7000111.7G63 L64 A65 S70 L71G63-F67 VanDerWaalsContact O-CB 3.26Å; G63-F67 WeakPolarHBondContact O-CB 3.04Å; G63-F67 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 3Å; A65-F67 VanDerWaalsContact C-N 3.34Å; A65-F67 PolarHBondContact O-N 2.81Å; F67-S70 PolarHBondContact O-N 2.83Å; F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.4Å; F67-L71 HydrophobicContact CE1-CD1 3.49Å; F67-L71 VanDerWaalsContact CE1-CD1 3.49Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.48Å; F67-L71 HydrophobicContact CZ-CD1 3.92Å; F67-L71 HydrophobicContact CZ-CD2 4.33Å; F67-L71 HydrophobicContact CZ-CG 4.15Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 WeakPolarHBondContact O-CG 3.33Å; F67-L71 PolarHBondContact O-N 3.26Å
68G89.7Confident85.2Confident37 Ų3789.9 Ų89.938%0.38151%0.514SS..Hα-helixtrans-62.1-45172.900000113L64 A65 L71 F72L64-G68 PolarHBondContact O-N 2.93Å; A65-G68 PolarHBondContact O-N 3.07Å; G68-L71 PolarHBondContact O-N 3.1Å; G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.26Å
69V89.7Confident83.6Confident88 Ų8895.5 Ų95.553%0.53353%0.528SS..Hα-helixtrans-64.4-41.6173.5173.40000110.9A65 L66 F72 V73A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.25Å; L66-V69 PolarHBondContact O-N 2.95Å; V69-F72 PolarHBondContact O-N 2.86Å; V69-V73 HydrophobicContact CG1-CG2 4.24Å; V69-V73 WeakPolarHBondContact O-CB 3.31Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 2.85Å
70S85.8Confident82.1Confident63 Ų6396.2 Ų96.244%0.44153%0.532SS..Hα-helixtrans-63.8-40.8176.8-175.90000112.1L66 F67 S74L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 2.92Å; F67-S70 PolarHBondContact O-N 2.83Å; S70-S74 WeakPolarHBondContact O-CB 3.2Å; S70-S74 PolarHBondContact O-N 2.87Å; S70-S74 PolarHBondContact O-OG 3.35Å
71L88.4Confident80.1Confident96 Ų9696.2 Ų96.250%0.50353%0.534SS..Hα-helixtrans-65.8-40.4172.7-76.1179.1000112F67 G68 S74 W75F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.4Å; F67-L71 HydrophobicContact CE1-CD1 3.49Å; F67-L71 VanDerWaalsContact CE1-CD1 3.49Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.48Å; F67-L71 HydrophobicContact CZ-CD1 3.92Å; F67-L71 HydrophobicContact CZ-CD2 4.33Å; F67-L71 HydrophobicContact CZ-CG 4.15Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 WeakPolarHBondContact O-CG 3.33Å; F67-L71 PolarHBondContact O-N 3.26Å; G68-L71 PolarHBondContact O-N 3.1Å; L71-S74 PolarHBondContact O-N 3.01Å; L71-W75 VanDerWaalsContact O-CB 3.24Å; L71-W75 WeakPolarHBondContact O-CB 3.4Å; L71-W75 PolarHBondContact O-N 3.44Å
72F85.1Confident78Confident142 Ų142105.1 Ų105.162%0.62356%0.556SS**Hα-helixtrans-66-43176.3-177.3-99.1000112.1G68 V69 W75 K76G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.26Å; V69-F72 PolarHBondContact O-N 2.86Å; F72-W75 PolarHBondContact O-N 2.88Å; F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 PolarHBondContact O-N 2.66Å
73V85.1Confident75.8Confident65 Ų65112.9 Ų112.939%0.39458%0.575SS.*Hα-helixtrans-67.1-42.8175.5169.80000110.8V69 K76 L77V69-V73 HydrophobicContact CG1-CG2 4.24Å; V69-V73 WeakPolarHBondContact O-CB 3.31Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 2.85Å; V73-K76 PolarHBondContact O-N 3.03Å; V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.19Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.09Å
74S81.4Confident73.6Confident55 Ų55119.7 Ų119.739%0.38560%0.598SS.*Hα-helixtrans-65.5-37.9175.1-59.30000111.8S70 L71 L77 C78S70-S74 WeakPolarHBondContact O-CB 3.2Å; S70-S74 PolarHBondContact O-N 2.87Å; S70-S74 PolarHBondContact O-OG 3.35Å; L71-S74 PolarHBondContact O-N 3.01Å; S74-L77 PolarHBondContact O-N 3.17Å; S74-C78 WeakPolarHBondContact O-CB 3.32Å; S74-C78 PolarHBondContact O-N 3.15Å; S74-C78 PolarHBondContact O-SG 2.9Å
75W77.9Confident70.9Confident161 Ų161125.1 Ų125.161%0.6161%0.609SS**Hα-helixtrans-59.5-51.6170.8-178.7-73.1000110.6L71 F72 L77 C78 W79L71-W75 VanDerWaalsContact O-CB 3.24Å; L71-W75 WeakPolarHBondContact O-CB 3.4Å; L71-W75 PolarHBondContact O-N 3.44Å; F72-W75 PolarHBondContact O-N 2.88Å; W75-L77 PolarHBondContact O-N 2.97Å; W75-C78 PolarHBondContact O-N 3.26Å; W75-W79 AromaticContact CE2-NE1 3.96Å; W75-W79 AromaticContact CZ2-CE2 3.93Å; W75-W79 AromaticContact CZ2-CZ2 3.88Å; W75-W79 HydrophobicContact CZ2-CZ2 3.88Å; W75-W79 AromaticContact CZ2-NE1 3.95Å; W75-W79 AromaticContact NE1-CD2 3.94Å; W75-W79 AromaticContact NE1-CE2 3.92Å; W75-W79 WeakPolarHBondContact O-CB 3.49Å; W75-W79 PolarHBondContact O-N 2.95Å
76K78.6Confident68.3Low137 Ų137126 Ų12660%0.59663%0.625SS**Hα-helixtrans-57.3-43.3176.5-105.3-81-172.61680112.7F72 V73 V80F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 PolarHBondContact O-N 2.66Å; V73-K76 PolarHBondContact O-N 3.03Å; K76-V80 WeakPolarHBondContact O-CG2 3.46Å
77L69.5Low65.5Low116 Ų116128.5 Ų128.561%0.60764%0.638SS**Hα-helixtrans-80.4-28.8-177-69.5176.3000113.5V73 S74 W75 P81V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.19Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.09Å; S74-L77 PolarHBondContact O-N 3.17Å; W75-L77 PolarHBondContact O-N 2.97Å; L77-P81 WeakPolarHBondContact O-CD 3.44Å
78C64.3Low63.1Low89 Ų89128.1 Ų128.160%0.60165%0.648SS**Hα-helixtrans-85.1-21.8176-67.60000113.3S74 W75S74-C78 WeakPolarHBondContact O-CB 3.32Å; S74-C78 PolarHBondContact O-N 3.15Å; S74-C78 PolarHBondContact O-SG 2.9Å; W75-C78 PolarHBondContact O-N 3.26Å
79W51.9Low60.1Low187 Ų187132.6 Ų132.671%0.70867%0.674SS**Hα-helixtrans-74.7-27.7172.6-100.837.9000114W75W75-W79 AromaticContact CE2-NE1 3.96Å; W75-W79 AromaticContact CZ2-CE2 3.93Å; W75-W79 AromaticContact CZ2-CZ2 3.88Å; W75-W79 HydrophobicContact CZ2-CZ2 3.88Å; W75-W79 AromaticContact CZ2-NE1 3.95Å; W75-W79 AromaticContact NE1-CD2 3.94Å; W75-W79 AromaticContact NE1-CE2 3.92Å; W75-W79 WeakPolarHBondContact O-CB 3.49Å; W75-W79 PolarHBondContact O-N 2.95Å
80V56.9Low57.2Low108 Ų108131.5 Ų131.566%0.65568%0.68SS**SBendtrans-69.3-44.9-175.4166.80000113.9K76 W82K76-V80 WeakPolarHBondContact O-CG2 3.46Å; V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 2.88Å
81P45.3Very low54.5Low83 Ų83134.2 Ų134.254%0.53970%0.699SS.*THydrogen-bonded Turntrans-73.7-13.5-173.5-20.833.6000115.8L77L77-P81 WeakPolarHBondContact O-CD 3.44Å
82W44.5Very low51.7Low240 Ų240137.5 Ų137.591%0.90971%0.709SS**THydrogen-bonded Turntrans-96.15.5-172.4-91.464.3000114.8V80V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 2.88Å
83R44.3Very low49.1Very low231 Ų231136 Ų13687%0.87271%0.707SS**SBendtrans-95.3-9.2174.2-147.2173.3-171-116.50.8114.5
84E43.4Very low46.4Very low179 Ų179140 Ų14084%0.83673%0.726SS**  trans-128.173.2-178.9-70.2-165-161.800113.8
85R35.7Very low43.8Very low240 Ų240144.2 Ų144.291%0.90675%0.745SS**  trans-141.573.2154.2-72.4-163179.7179.61.1111.3
86G34.7Very low41.5Very low80 Ų80145.3 Ų145.383%0.82576%0.757SS**PPolyproline II helixtrans-72.8138.7159.300000110.3
87L32.9Very low39Very low175 Ų175147.6 Ų147.692%0.91677%0.769SS**PPolyproline II helixtrans-90145.2168.5-80166.4000110.2
88P39.7Very low37.7Very low119 Ų119147.1 Ų147.177%0.77377%0.774SS**PPolyproline II helixtrans-99.9159.4-163.838.1-37.1000115.4
89S27.9Very low35.9Very low131 Ų131149.6 Ų149.692%0.91678%0.78SS**  trans138128.9152.5-172.30000111.1
90G28.5Very low34.6Very low64 Ų64148 Ų14866%0.6679%0.786SS**  cis165.9147.5-6.800000112.5
91S28.6Very low33Very low120 Ų120153 Ų15384%0.83979%0.794SS**  trans67147179.8-95.80000116.5
92K30.6Very low32.2Very low166 Ų166153.3 Ų153.372%0.72279%0.794SS**  cis-158.41513.2-141.8-174175.5-116.70112.9
93D30Very low31.4Very low110 Ų110148.6 Ų148.659%0.58879%0.787SS**  trans43.9121.7157.7-53.8-21.7000123
94N27.8Very low30.7Very low148 Ų148143.3 Ų143.379%0.79178%0.781SS**  trans44.7136.3141.1-54.5-13.9000120.5
95N27Very low30Very low145 Ų145142.8 Ų142.878%0.77578%0.778SS**  cis-169.8175.640.3-144.4-1.2000113.1
96Q30.1Very low29.7Very low183 Ų183137.2 Ų137.286%0.85577%0.771SS**  trans81.7129.5165.5-69.4179.1-34.800121.2
97E26.1Very low29.3Very low185 Ų185139.6 Ų139.686%0.86477%0.765SS**  trans-83.9-176.3172.2-68.7-169.1110.900111.7
98P41.8Very low29.1Very low107 Ų107138.6 Ų138.670%0.69576%0.756SS**  cis-148.7-173.116.646-25.1000119.9
99L26.1Very low28.6Very low141 Ų141140.8 Ų140.874%0.73876%0.756SS**  trans88100.1153.5-74.5165.4000121.3
100N25.4Very low28.6Very low154 Ų154142.8 Ų142.882%0.82475%0.75SS**  77.4134.3129-7112.9000122.9
101Y23.4Very low28.5Very low211 Ų211147.5 Ų147.583%0.82776%0.76SS**  trans-117.8141.3179.2-128.6-120.6000108.9
102T27.5Very low28.5Very low90 Ų90146.5 Ų146.555%0.55275%0.754SS**  trans51.3134.6137.860.90000123
103D27.9Very low28.5Very low142 Ų142147.5 Ų147.576%0.75976%0.761SS**  47.9151111.9-37.5-33.5000119.5
104T29.8Very low28.5Very low120 Ų120149.7 Ų149.774%0.73677%0.773SS**  cis-140.9152.940.225.60000113.5
105E29.3Very low28.7Very low167 Ų167150.9 Ų150.978%0.7877%0.771SS**  45.4134.493.5-54.7-166.7149.800115.9
106T29.2Very low28.9Very low124 Ų124151.9 Ų151.976%0.76178%0.775SS**  cis-166.4169.3-5.218.80000110.5
107N26.7Very low28.7Very low129 Ų129149.8 Ų149.869%0.6977%0.77SS**  trans120.6149.7130.8-149.127000120.1
108E28.6Very low29.8Very low155 Ų155146.4 Ų146.472%0.72477%0.765SS**  trans56.485158.8-84.7155-14100122.3
109Q28.4Very low30Very low165 Ų165146.8 Ų146.877%0.77177%0.767SS**  51.6138.9110-157.2164.3-40.900123.3
110E28.2Very low30.1Very low172 Ų172146 Ų14680%0.80477%0.768SS**  trans74135.7164-87.9158-123.100119.8
111N25.5Very low30.5Very low163 Ų163144.4 Ų144.487%0.87277%0.766SS**  trans-151.5134.2-176.6177.521.1000108.4
112S29.5Very low30.8Very low100 Ų100139.8 Ų139.870%0.69976%0.764SS**  trans-138.9111-179.958.80000111.5
113E31.2Very low31.5Very low186 Ų186140.7 Ų140.787%0.86977%0.771SS**  trans32113.9147.2-56.8179.8128.500118.9
114D28.1Very low31.6Very low157 Ų157141.3 Ų141.384%0.8477%0.774SS**  154.8175.385.7-147.1-13.9000112.5
115F33.9Very low31.8Very low172 Ų172140.6 Ų140.675%0.75477%0.774SS**  trans-88.3155.1-174.6-99-111.7000115.2
116L29.8Very low31.8Very low166 Ų166136.9 Ų136.987%0.86977%0.766SS**  172.5151.7117.9-88.8164.6000113.7
117D26.8Very low31.9Very low139 Ų139138 Ų13874%0.74377%0.765SS**  trans-89-179.5-176.1-69.7-66.5000114.6
118P49.2Very low32.3Very low115 Ų115139.4 Ų139.475%0.74777%0.765SS**  cis-125.6-137.4-18.428.5-2.8000109.6
119P44.8Very low32.5Very low115 Ų115138.7 Ų138.775%0.74777%0.765SS**  cis-134.2-92.9-14.136.1-11.7000117.4
120T28.8Very low32.8Very low124 Ų124135.3 Ų135.376%0.76176%0.759SS**  trans-156169.5-16027.50000111.3
121P34Very low33.2Very low120 Ų120135 Ų13578%0.77976%0.757SS**  cis-135.4-179.22243.1-25000117.9
122C28.7Very low33.6Very low115 Ų115133.5 Ų133.578%0.77775%0.754SS**  trans-82.9177175.3-48.10000113.3
123P43.2Very low34.1Very low109 Ų109134 Ų13471%0.70876%0.758SS**  -148.7163.889.640.4-24.3000117.4
124D30.3Very low34.7Very low154 Ų154131.1 Ų131.182%0.82476%0.755SS**  trans51145.1145-65.2-21.3000123.3
125S32.8Very low34.9Very low105 Ų105131.1 Ų131.173%0.73476%0.755SS**  cis-174.1-172.5-13.261.90000108
126S29.3Very low35.2Very low89 Ų89130.5 Ų130.562%0.62276%0.758SS**  cis-161.41622.777.50000111.5
127M32Very low35.4Very low149 Ų149128.2 Ų128.273%0.73475%0.753SS**  trans63.6145.6153.6-59.7-156.8-156.200120.9
128K35.2Very low35.9Very low157 Ų157129.8 Ų129.868%0.68376%0.761SS**  cis-170.5147.3-12.6-113.4176.8-176.9169.60111.4
129I32.5Very low35Very low141 Ų141130.1 Ų130.172%0.72377%0.766SS**  trans67.3146.1148.1-64.1167.1000116
130S34.4Very low34.4Very low94 Ų94128.8 Ų128.866%0.65777%0.765SS**  cis-132.1149.511.252.80000112.1
131H36.5Very low34.5Very low164 Ų164131.5 Ų131.576%0.75977%0.769SS**  38.413591.7-50.6-80.9000115.6
132T34.3Very low34.3Very low132 Ų132132 Ų13281%0.8177%0.77SS**  cis-140.5162.413.846.80000114.2
133S40.6Very low34.3Very low110 Ų110129.9 Ų129.977%0.76977%0.767SS**  trans-121.2161.7159.3-52.60000110
134P42.9Very low33.6Very low126 Ų126130.9 Ų130.982%0.81877%0.771SS**  trans-126.5120.5156.234.3-20.6000112.7
135D31.8Very low33.7Very low157 Ų157131.2 Ų131.284%0.8477%0.767SS**PPolyproline II helixtrans-90.4162.1168.8-85.5-59.7000112.4
136I41.4Very low33.5Very low160 Ų160132.7 Ų132.782%0.82176%0.763SS**PPolyproline II helixtrans-90128.1-174.6-58.8166000111.2
137P34.7Very low33.8Very low117 Ų117135.2 Ų135.276%0.7677%0.769SS**PPolyproline II helixtrans-87.1132.416632.9-30.8000111.9
138L37.1Very low33.6Very low172 Ų172134 Ų13490%0.90177%0.774SS**  trans-106.9129.8166.7-97.8164.9000109.6
139S29.9Very low33.3Very low122 Ų122130.4 Ų130.485%0.85377%0.774SS**  trans-153147167.262.70000110.7
140A31.9Very low33.4Very low88 Ų88133.4 Ų133.473%0.72778%0.784SS**  trans-140.8141.5-177.300000111.1
141Q31.6Very low33.2Very low181 Ų181132.2 Ų132.285%0.84679%0.787SS**  trans178.2150.9136.5-101.4166.490.600113.4
142T29.2Very low32.9Very low131 Ų131131.9 Ų131.980%0.80480%0.796SS**  trans18.2139.3150.959.90000121.2
143G28.3Very low32.8Very low69 Ų69135.9 Ų135.971%0.71180%0.796SS**  cis157.8-178.9-000000112.5
144V29.8Very low32.5Very low131 Ų131137.4 Ų137.479%0.79480%0.801SS**  trans70.796.4165.7-178.60000116.2
145Q31Very low32Very low160 Ų160138.9 Ų138.975%0.74880%0.796SS**  92.4141104.9-162161.5-16.100111.7
146E30Very low32.1Very low136 Ų136141.4 Ų141.464%0.63679%0.794SS**  cis-156.9146.926.1-159160.1-11300114.4
147N33.5Very low31.5Very low143 Ų143141.7 Ų141.777%0.76579%0.792SS**  trans50.7158.9155.1-68.4-21.2000121.1
148C28.9Very low31.8Very low124 Ų124142.3 Ų142.384%0.83879%0.793SS**  cis-144.5177.416.3-153.10000113.6
149A28.9Very low31.7Very low81 Ų81140.7 Ų140.767%0.66979%0.791SS**  trans-79.2159.1-16700000116.4
150H33.9Very low31.7Very low203 Ų203143.5 Ų143.594%0.9479%0.79SS**  -160.8160.7121.8-101.674.6000108.9
151G30.1Very low32.5Very low69 Ų69144.4 Ų144.471%0.71179%0.789SS**  trans-161.4175.9176.600000112.2
152V30.6Very low32.6Very low157 Ų157141.5 Ų141.595%0.95278%0.784SS**  trans-162.8157.8163.2126.30000110.7
153R32.1Very low32.7Very low217 Ų217140.5 Ų140.582%0.81978%0.782SS**  trans-122158.5-178.7167-173.7176.1-172.21108.2
154V34.7Very low33Very low142 Ų142143.3 Ų143.386%0.86179%0.791SS**  trans166.2169.3139.8154.30000110.9
155Q32.8Very low33.2Very low157 Ų157141.3 Ų141.373%0.73479%0.788SS**  trans-144.2148.5-159.7-174.5-167.7-1.700109.8
156R33.2Very low33.4Very low210 Ų210145.5 Ų145.579%0.79280%0.797SS**  trans84.5143.2152-128.6179.2-168.1-170.95.7121.4
157Q30.3Very low33.9Very low165 Ų165147.3 Ų147.377%0.77181%0.805SS**  trans102.3164.7138.8-137.1149.5-38.900119.4
158V39.6Very low33.9Very low130 Ų130147.1 Ų147.179%0.78880%0.804SS**  trans-133.7142.3-147171.90000111.8
159T34.6Very low34.2Very low138 Ų138145.2 Ų145.285%0.84779%0.792SS**  trans-153.8132.3156.845.30000112.8
160E31.1Very low34.6Very low181 Ų181148.9 Ų148.985%0.84680%0.799SS**  trans-90.9178.3152.1-90.5-167.6-17400109.6
161P49.2Very low34.7Very low107 Ų107150.4 Ų150.470%0.69580%0.796SS**  cis-126.8-164.69.141.8-21.4000112.6
162T32.6Very low35Very low121 Ų121157.6 Ų157.674%0.74280%0.802SS**  -172.5147.767.2-36.60000113.3
163S31.7Very low35.2Very low109 Ų109158.2 Ų158.276%0.76279%0.794SS**  trans-9.5142.1169.465.10000123
164S35.1Very low35.4Very low129 Ų129156.1 Ų156.190%0.90280%0.799SS**  -144149.4128.2-173.10000109.4
165A33.3Very low35.3Very low88 Ų88156.8 Ų156.873%0.72780%0.798SS**  trans-134145.8-16500000114.2
166R35.8Very low35.5Very low249 Ų249157.4 Ų157.494%0.9481%0.805SS**  trans-148.7136.8152.3-105.9171.9-167.6-161.31.3111.2
167H39.5Very low35.4Very low173 Ų173152.3 Ų152.380%0.80180%0.802SS**  trans-62.6166.1171.8-77.6-119.7000111.2
168N33.3Very low35.8Very low139 Ų139151.8 Ų151.874%0.74380%0.804SS**  cis-151.8-172.316.7-133.31.5000108.7
169S35.8Very low36Very low85 Ų85150.6 Ų150.659%0.59480%0.799SS**  cis-164.6150.6525.60000111.6
170I36.9Very low35.9Very low158 Ų158151.4 Ų151.481%0.8180%0.798SS**  trans62.2117.2148.5-62.8167.5000119.5
171R36.2Very low36.1Very low235 Ų235152 Ų15289%0.88780%0.798SS**  trans-128.6135.4159.7178-176.1-176.2-175.82.2107.3
172R36.5Very low35.4Very low219 Ų219153 Ų15383%0.82680%0.797SS**  trans-122.1110.3162-72.4-170.3-175.9-172.92.5106.6
173Q34.2Very low35.9Very low170 Ų170154.8 Ų154.879%0.79480%0.801SS**  70.4104.385.9-77.5-175.4-44.500111.8
174L37.6Very low36.1Very low173 Ų173157 Ų15791%0.90680%0.8SS**  trans-62.7146.5158.9-73.9159.5000109
175N31.7Very low36.2Very low157 Ų157160 Ų16084%0.8480%0.799SS**  trans-140.9140.7165.2-128.7-9.8000108.5
176L37.2Very low36.3Very low169 Ų169164.3 Ų164.389%0.88581%0.809SS**  trans-87.1129.4177.3-80.470.4000109.6
177S32.3Very low36.3Very low104 Ų104161.2 Ų161.273%0.72781%0.805SS**  trans-159.1124.2162.451.80000109.3
178N37.7Very low36.3Very low153 Ų153162.7 Ų162.782%0.81881%0.809SS**PPolyproline II helixtrans-67.6140.4172.7-69.7-5.6000110.8
179P42.9Very low36.3Very low105 Ų105165.3 Ų165.368%0.68282%0.817SS**PPolyproline II helixtrans-94.4127.5151.933.4-26.3000110F181P179-F181 PolarHBondContact O-N 3.08Å
180D34.2Very low36.3Very low155 Ų155168.2 Ų168.283%0.82982%0.821SS**PPolyproline II helixtrans-69.9127178.8-63.8-64000112.2N182D180-N182 PolarHBondContact O-N 2.75Å
181F33.8Very low36.3Very low195 Ų195169.8 Ų169.886%0.85583%0.825SS**  trans-81.596.5178-97.8-94.3000111.5P179 I183P179-F181 PolarHBondContact O-N 3.08Å; F181-I183 PolarHBondContact O-N 3.08Å
182N35Very low36.3Very low126 Ų126166.1 Ų166.167%0.67482%0.822SS**  trans-82.5106.1176.6-170.7-8.8000112.1D180 Q184D180-N182 PolarHBondContact O-N 2.75Å; N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 3.37Å
183I43.2Very low36.5Very low159 Ų159162.2 Ų162.282%0.81582%0.823SS**THydrogen-bonded Turntrans-81.467.2-178.8-49.5-176.2000110.9F181F181-I183 PolarHBondContact O-N 3.08Å
184Q36.9Very low37.2Very low157 Ų157157.7 Ų157.773%0.73482%0.822SS**THydrogen-bonded Turntrans-143.52.2176.5-107.1167.422.700116.1N182N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 3.37Å
185Q37.1Very low37.1Very low191 Ų191157.8 Ų157.889%0.89382%0.821SS**SBendtrans-109-6.4176.7-73.3-170.2-19.800115.5Q187Q185-Q187 PolarHBondContact O-N 2.86Å; Q185-Q187 VanDerWaalsContact O-N 3.16Å
186L34.4Very low38Very low178 Ų178153.6 Ų153.693%0.93282%0.815SS**SBendtrans-88.743177-155.477.5000113.1
187Q36.4Very low38.7Very low185 Ų185155.8 Ų155.886%0.86481%0.812SS**  trans-134.832.3-174.8-135.617724.600114.2Q185Q185-Q187 PolarHBondContact O-N 2.86Å; Q185-Q187 VanDerWaalsContact O-N 3.16Å
188K38.5Very low39.6Very low203 Ų203157.1 Ų157.188%0.88381%0.809SS**SBendtrans-147.343.4173.2-151.2-176.3178.3177.80116.1
189Q33.4Very low40.6Very low194 Ų194156.9 Ų156.991%0.90780%0.801SS**  trans-153.161162.6-149.81678.600114.9
190E36.9Very low41.1Very low146 Ų146156.2 Ų156.268%0.68280%0.797SS**  trans-118.6103158.2-72.5-151135.500110.6R197E190-R197 IonicContact OE1-CZ 3.6Å; E190-R197 IonicContact OE1-NH1 3.99Å; E190-R197 PolarHBondContact OE1-NH1 2.84Å; E190-R197 IonicContact OE1-NH2 2.76Å; E190-R197 PolarHBondContact OE1-NH2 2.89Å
191Q36.2Very low42.1Very low192 Ų192154.5 Ų154.590%0.89778%0.784SS**  trans-170.6138.8141.4-106.5166.728.800111.4
192L35.5Very low42.7Very low158 Ų158152 Ų15283%0.82778%0.779SS**SBendtrans96108.7173.8-58.3168.6000118
193T41.6Very low43.2Very low137 Ų137154.6 Ų154.684%0.8478%0.78SS**  trans34121.2143.857.80000119.8
194G48.3Very low43.1Very low74 Ų74154.3 Ų154.376%0.76377%0.773SS**  cis132.984.8-2.900000113.9
195I36.4Very low43.3Very low175 Ų175155.6 Ų155.690%0.89778%0.779SS**SBendtrans-165.1146.3157.1-100150.6000106.5
196G50.2Low43.4Very low69 Ų69157.4 Ų157.471%0.71178%0.778SS**  trans84.420.3162.100000120I198G196-I198 PolarHBondContact O-N 2.86Å
197R52.6Low43.4Very low215 Ų215153.1 Ų153.181%0.81176%0.763SS**  trans-66.5113.3167.5-100.7-173.4179.1166.12.8110E190 K199E190-R197 IonicContact OE1-CZ 3.6Å; E190-R197 IonicContact OE1-NH1 3.99Å; E190-R197 PolarHBondContact OE1-NH1 2.84Å; E190-R197 IonicContact OE1-NH2 2.76Å; E190-R197 PolarHBondContact OE1-NH2 2.89Å; R197-K199 PolarHBondContact O-N 3.49Å
198I50.4Low43.6Very low132 Ų132152.1 Ų152.168%0.67776%0.762SS**  trans-61.7129.9170-59.9174.9000108.7G196 P200 Y203G196-I198 PolarHBondContact O-N 2.86Å; I198-P200 WeakPolarHBondContact O-CD 3.19Å; I198-Y203 HydrophobicContact CG2-CD2 4.13Å; I198-Y203 HydrophobicContact CG2-CE2 3.74Å
199K59.7Low43.5Very low148 Ų148149.1 Ų149.164%0.64376%0.756SS**  trans-86.5115.5173.2-69.2-176177.3-177.70109.5R197 E201 L202R197-K199 PolarHBondContact O-N 3.49Å; K199-E201 PolarHBondContact O-N 3.14Å; K199-L202 HydrophobicContact CB-CD1 4.38Å; K199-L202 PolarHBondContact O-N 3.41Å; K199-L202 VanDerWaalsContact O-N 3.15Å
200P52.9Low43.9Very low91 Ų91147.2 Ų147.259%0.59175%0.752SS**G310 helixtrans-64-23.5179.226.1-34.3000112.8I198 L202 Y203I198-P200 WeakPolarHBondContact O-CD 3.19Å; P200-L202 PolarHBondContact O-N 3.1Å; P200-Y203 PolarHBondContact O-N 3.01Å
201E54.2Low43.9Very low120 Ų120148.1 Ų148.156%0.56176%0.761SS**G310 helixtrans-56.9-28.9173.9-52-51.8136.500113.8K199 Y203 K204K199-E201 PolarHBondContact O-N 3.14Å; E201-Y203 PolarHBondContact O-N 3.07Å; E201-K204 IonicContact OE1-NZ 3.64Å; E201-K204 WeakPolarHBondContact OE2-CE 3.35Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 2.8Å
202L46.6Very low44Very low143 Ų143145.8 Ų145.875%0.74976%0.755SS**G310 helixtrans-77-8.5175.7-79.9166.7000113.6K199 P200K199-L202 HydrophobicContact CB-CD1 4.38Å; K199-L202 PolarHBondContact O-N 3.41Å; K199-L202 VanDerWaalsContact O-N 3.15Å; P200-L202 PolarHBondContact O-N 3.1Å
203Y45.5Very low43.9Very low179 Ų179141.2 Ų141.270%0.70275%0.746SS**G310 helixtrans-117.719.4-178.1-67.6-88.5000112.6I198 P200 E201 Q205I198-Y203 HydrophobicContact CG2-CD2 4.13Å; I198-Y203 HydrophobicContact CG2-CE2 3.74Å; P200-Y203 PolarHBondContact O-N 3.01Å; E201-Y203 PolarHBondContact O-N 3.07Å; Y203-Q205 PolarHBondContact O-N 3.3Å
204K41.6Very low44.1Very low153 Ų153146.5 Ų146.567%0.66575%0.751SS**  trans-70.382.3167.5-82.2177.3173165.30110.4E201 R206E201-K204 IonicContact OE1-NZ 3.64Å; E201-K204 WeakPolarHBondContact OE2-CE 3.35Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 2.8Å; K204-R206 PolarHBondContact O-N 3.07Å
205Q40.7Very low43.5Very low185 Ų185151.4 Ų151.486%0.86475%0.754SS**PPolyproline II helixtrans-48.2130.1163.4-174.3171.8-2100109Y203 S207Y203-Q205 PolarHBondContact O-N 3.3Å; Q205-S207 PolarHBondContact O-N 3.22Å
206R39Very low43.7Very low229 Ų229148.1 Ų148.186%0.86475%0.746SS**PPolyproline II helixtrans-53.5123.6-179.4-73.2-179.6176.8158.30.3109.5K204 L208K204-R206 PolarHBondContact O-N 3.07Å; R206-L208 PolarHBondContact O-N 3.41Å
207S34.2Very low43Very low88 Ų88152.2 Ų152.262%0.61575%0.752SS**PPolyproline II helixtrans-65.9127.3164.157.10000108.1Q205 D209Q205-S207 PolarHBondContact O-N 3.22Å; S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-D209 PolarHBondContact OG-OD2 2.91Å
208L41.8Very low42.8Very low163 Ų163146.5 Ų146.585%0.85375%0.745SS**  trans-89.166.7173.2-74.5170000108.1R206 N210R206-L208 PolarHBondContact O-N 3.41Å; L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.32Å
209D36.4Very low43.5Very low141 Ų141146.8 Ų146.875%0.75474%0.741SS**  trans-76.789.5172.7-61.5-54.4000108S207S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-D209 PolarHBondContact OG-OD2 2.91Å
210N40.9Very low44.3Very low154 Ų154144.1 Ų144.182%0.82475%0.747SS**  trans-96101.1-175.5-170.886.3000109.1L208L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.32Å
211D37.4Very low46Very low164 Ų164140 Ų14088%0.87772%0.719SS**  trans-119.1147.1170.8-166.521.7000110.8
212D39.1Very low47.9Very low144 Ų144134.7 Ų134.777%0.7770%0.697SS**  trans-104103.9-154.3-162.4-7.3000112.5
213G32.7Very low50.3Low61 Ų61131.8 Ų131.863%0.62968%0.679SS**  trans-141.3101.4-175.700000112.7Q215G213-Q215 PolarHBondContact O-N 3.32Å
214R44.6Very low52.8Low249 Ų249123.2 Ų123.294%0.9465%0.645SS**  trans-72.880.4179.3-69.9-177.8177.8175.6-1113
215Q36.5Very low55.5Low177 Ų177116.2 Ų116.283%0.82762%0.615SS**SBendtrans-143.1152.2163.1-107.6158.90.400111.4G213 N217G213-Q215 PolarHBondContact O-N 3.32Å; Q215-N217 PolarHBondContact O-N 2.86Å
216S40.3Very low58.2Low106 Ų106107.4 Ų107.474%0.74157%0.574SS**  trans-72.891.3-172-172.60000111.2S218S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.8Å
217N35.5Very low60.9Low155 Ų15597.5 Ų97.583%0.82954%0.538SS*.  trans-7363.7172.3-87.6-24.6000111.9Q215 K219Q215-N217 PolarHBondContact O-N 2.86Å; N217-K219 PolarHBondContact O-N 2.99Å
218S49Very low63.8Low95 Ų9593.3 Ų93.366%0.66451%0.508SS*.  trans-58105.1160.9-59.70000107.9S216 A220S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.8Å; S218-A220 PolarHBondContact O-N 2.95Å
219K64.9Low66.3Low138 Ų13889.5 Ų89.560%0.649%0.485SS*.  trans-58.6113.6177.6-68.3178.4-178.4174.70108.3N217 C221 Y345N217-K219 PolarHBondContact O-N 2.99Å; K219-C221 PolarHBondContact O-N 2.74Å; K219-C221 VanDerWaalsContact O-N 3.08Å; K219-C221 PolarHBondContact O-SG 2.7Å; K219-C221 VanDerWaalsContact O-SG 3.35Å; K219-Y345 HydrophobicContact CB-CG 4.21Å; K219-Y345 HydrophobicContact CD-CD1 4.38Å; K219-Y345 HydrophobicContact CD-CE1 4.28Å
220A76.4Confident69.2Low92 Ų9283.1 Ų83.176%0.7645%0.45SS*.  trans-65.7111.2-178.900000109.6S218 G222S218-A220 PolarHBondContact O-N 2.95Å; A220-G222 VanDerWaalsContact C-N 3.31Å
221C89.3Confident71.7Confident3 Ų377.3 Ų77.32%0.0242%0.419CS..  trans-96.421.1-177.6-70.60000113.4K219 L247 P248 I319 I343 Y345K219-C221 PolarHBondContact O-N 2.74Å; K219-C221 VanDerWaalsContact O-N 3.08Å; K219-C221 PolarHBondContact O-SG 2.7Å; K219-C221 VanDerWaalsContact O-SG 3.35Å; C221-L247 WeakPolarHBondContact O-CD2 3.26Å; C221-P248 HydrophobicContact CB-CG 4.4Å; C221-I319 HydrophobicContact CB-CG2 4.21Å; C221-I319 PolarHBondContact SG-O 2.72Å; C221-I343 HydrophobicContact CB-CB 4.1Å; C221-I343 HydrophobicContact CB-CG2 3.78Å; C221-I343 WeakPolarHBondContact O-CD1 3.31Å; C221-Y345 VanDerWaalsContact SG-CD2 3.54Å
222G93.8Very high74.3Confident9 Ų973.4 Ų73.49%0.09340%0.404CS..  trans88.2-168.3-176.800000113.4A220 V245 N246 I343A220-G222 VanDerWaalsContact C-N 3.31Å; G222-V245 CarbonylContact C-O 3.51Å; G222-V245 WeakPolarHBondContact CA-O 3.33Å; G222-N246 WeakPolarHBondContact CA-O 3.15Å; G222-N246 PolarHBondContact N-O 2.96Å; G222-I343 PolarHBondContact O-N 3.4Å
223K96.8Very high76.8Confident82 Ų8274 Ų7436%0.35741%0.407SS..EExtended strand (participates in β ladder)trans-127.5143.2174-58.7-176.7-175.4-70.70110.3A244 V245 W340 K341 D342K223-A244 CarbonylContact O-C 3.5Å; K223-A244 VanDerWaalsContact O-CA 3.28Å; K223-A244 WeakPolarHBondContact O-CA 3.44Å; K223-V245 HydrophobicContact CB-CG2 4.06Å; K223-V245 PolarHBondContact N-O 3.49Å; K223-V245 PolarHBondContact O-N 2.95Å; K223-W340 HydrophobicContact CB-CE3 3.87Å; K223-W340 HydrophobicContact CB-CZ3 4.11Å; K223-W340 HydrophobicContact CD-CE3 4.36Å; K223-K341 CarbonylContact C-O 3.59Å; K223-K341 VanDerWaalsContact CA-O 3.3Å; K223-K341 WeakPolarHBondContact CA-O 3.45Å; K223-D342 IonicContact NZ-OD1 2.99Å; K223-D342 PolarHBondContact NZ-OD1 3.24Å; K223-D342 IonicContact NZ-OD2 3.23Å; K223-D342 PolarHBondContact NZ-OD2 3.45Å
224L97.8Very high79.7Confident0 Ų076.1 Ų76.10%040%0.403CS..EExtended strand (participates in β ladder)trans-101.3136172.1-171.765.7000109.6F226 I241 A244 V260 F305 V322 K341 I343L224-F226 HydrophobicContact CD2-CD1 4.11Å; L224-F226 HydrophobicContact CG-CD1 4.01Å; L224-I241 HydrophobicContact CD1-CG2 4.27Å; L224-A244 HydrophobicContact CD1-CB 3.97Å; L224-V260 HydrophobicContact CD1-CG2 4.28Å; L224-F305 HydrophobicContact CD2-CB 3.91Å; L224-F305 HydrophobicContact CD2-CD1 4.3Å; L224-F305 HydrophobicContact CD2-CD2 4.16Å; L224-F305 HydrophobicContact CD2-CG 3.87Å; L224-V322 HydrophobicContact CB-CG2 4.21Å; L224-V322 HydrophobicContact CD2-CG2 4.39Å; L224-K341 PolarHBondContact N-O 2.87Å; L224-K341 PolarHBondContact O-N 2.86Å; L224-I343 HydrophobicContact CB-CD1 4.2Å; L224-I343 HydrophobicContact CB-CG1 4.04Å
225N97.9Very high82.1Confident6 Ų669.4 Ų69.43%0.03238%0.382CS..EExtended strand (participates in β ladder)trans-118.9123.2171.9178.5-132.1000110.9H242 K243 L339 W340N225-H242 PolarHBondContact O-N 2.99Å; N225-H242 PolarHBondContact OD1-CD2 2.79Å; N225-H242 VanDerWaalsContact OD1-CD2 3.26Å; N225-K243 WeakPolarHBondContact CA-O 3.31Å; N225-K243 HydrophobicContact CB-CG 4.16Å; N225-K243 PolarHBondContact N-O 3.34Å; N225-K243 PolarHBondContact O-N 3.04Å; N225-K243 VanDerWaalsContact O-N 3.11Å; N225-L339 WeakPolarHBondContact CA-O 3.36Å; N225-L339 PolarHBondContact ND2-O 3.38Å; N225-W340 HydrophobicContact CB-CD2 3.69Å; N225-W340 HydrophobicContact CB-CE3 3.69Å; N225-W340 HydrophobicContact CB-CG 4.43Å; N225-W340 HydrophobicContact CB-CH2 3.68Å; N225-W340 HydrophobicContact CB-CZ2 3.67Å; N225-W340 HydrophobicContact CB-CZ3 3.68Å; N225-W340 PolarHBondContact ND2-NE1 3.22Å
226F97.3Very high84.9Confident0 Ų063.3 Ų63.30%035%0.354CS..EExtended strand (participates in β ladder)trans-145.4163.8-175.258.5-79.9000108.9L224 L228 K240 I241 F305 V322 V324 L339 K341L224-F226 HydrophobicContact CD2-CD1 4.11Å; L224-F226 HydrophobicContact CG-CD1 4.01Å; F226-L228 HydrophobicContact CD2-CD2 3.93Å; F226-L228 HydrophobicContact CD2-CG 4.12Å; F226-L228 HydrophobicContact CE2-CD1 4.22Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.11Å; F226-K240 CarbonylContact C-O 3.5Å; F226-K240 WeakPolarHBondContact CA-O 3.49Å; F226-K240 WeakPolarHBondContact CB-O 3.45Å; F226-I241 HydrophobicContact CB-CD1 3.99Å; F226-F305 HydrophobicContact CD1-CE2 4.26Å; F226-F305 HydrophobicContact CD1-CZ 4.43Å; F226-F305 AromaticContact CD2-CE2 3.87Å; F226-F305 HydrophobicContact CD2-CE2 3.87Å; F226-F305 AromaticContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CE1-CE2 4.02Å; F226-F305 AromaticContact CE2-CE2 3.58Å; F226-F305 HydrophobicContact CE2-CE2 3.58Å; F226-F305 AromaticContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CG-CE2 4.2Å; F226-F305 AromaticContact CG-CZ 3.96Å; F226-F305 HydrophobicContact CG-CZ 3.96Å; F226-F305 AromaticContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CZ 4.27Å; F226-V322 HydrophobicContact CE1-CG1 4.39Å; F226-V324 HydrophobicContact CE2-CG2 3.94Å; F226-V324 HydrophobicContact CZ-CG2 3.6Å; F226-L339 HydrophobicContact CD2-CB 4.35Å; F226-L339 HydrophobicContact CD2-CD1 4.41Å; F226-L339 HydrophobicContact CE1-CB 4.15Å; F226-L339 HydrophobicContact CE2-CB 3.89Å; F226-L339 HydrophobicContact CE2-CD1 3.55Å; F226-L339 HydrophobicContact CE2-CG 4.33Å; F226-L339 HydrophobicContact CZ-CB 3.76Å; F226-L339 HydrophobicContact CZ-CD1 3.88Å; F226-L339 PolarHBondContact N-O 2.93Å; F226-L339 PolarHBondContact O-N 3.29Å; F226-K341 HydrophobicContact CE1-CB 4.17Å; F226-K341 HydrophobicContact CE1-CG 3.93Å; F226-K341 HydrophobicContact CZ-CG 3.97Å
227I96.3Very high87.4Confident20 Ų2058.3 Ų58.310%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-126.6132.1-176.3-52.7-178.7000107.9K240 E336 C337 I338I227-K240 HydrophobicContact CB-CB 4.26Å; I227-K240 HydrophobicContact CD1-CD 4.48Å; I227-K240 PolarHBondContact N-O 3.29Å; I227-K240 PolarHBondContact O-N 3.05Å; I227-E336 HydrophobicContact CG2-CG 3.28Å; I227-C337 VanDerWaalsContact CA-O 3.27Å; I227-C337 WeakPolarHBondContact CA-O 3.34Å; I227-I338 HydrophobicContact CD1-CG1 4.14Å; I227-I338 HydrophobicContact CG1-CG1 4.15Å; I227-I338 HydrophobicContact CG1-CG2 4.36Å; I227-I338 HydrophobicContact CG2-CG1 4.38Å
228L95.6Very high90.3Very high0 Ų052.2 Ų52.20%029%0.287CS..EExtended strand (participates in β ladder)trans-111.1139.8174.4-55.4-178.1000109.3F226 V239 L303 F327 L330 R335 E336 C337 L339F226-L228 HydrophobicContact CD2-CD2 3.93Å; F226-L228 HydrophobicContact CD2-CG 4.12Å; F226-L228 HydrophobicContact CE2-CD1 4.22Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.11Å; L228-V239 HydrophobicContact CD2-CB 4.35Å; L228-V239 HydrophobicContact CD2-CG1 4.04Å; L228-V239 HydrophobicContact CD2-CG2 3.96Å; L228-L303 HydrophobicContact CD1-CD2 4.5Å; L228-L303 HydrophobicContact CD2-CD2 3.54Å; L228-F327 HydrophobicContact CD1-CD1 4.27Å; L228-L330 HydrophobicContact CD1-CD1 4.12Å; L228-R335 VanDerWaalsContact O-O 3.07Å; L228-E336 CarbonylContact O-C 3.51Å; L228-E336 WeakPolarHBondContact O-CA 3.44Å; L228-C337 HydrophobicContact CB-CB 4.39Å; L228-C337 PolarHBondContact N-O 2.9Å; L228-C337 PolarHBondContact O-N 3.48Å; L228-L339 HydrophobicContact CD1-CD1 3.73Å; L228-L339 HydrophobicContact CG-CD1 4.12Å
229K94.9Very high92.6Very high83 Ų8347.7 Ų47.736%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-143.3144.8167-179.3-145.5169.2-162.40106.9D231 V238K229-D231 IonicContact NZ-OD2 2.7Å; K229-D231 PolarHBondContact NZ-OD2 3.13Å; K229-V238 HydrophobicContact CB-CB 4.26Å; K229-V238 PolarHBondContact N-O 3.36Å; K229-V238 WeakPolarHBondContact O-CA 3.34Å; K229-V238 WeakPolarHBondContact O-CB 3.45Å; K229-V238 PolarHBondContact O-N 2.71Å
230Y95.6Very high94.1Very high8 Ų844 Ų443%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-104.2142.1165.1-174.9-97.6000110.6C232 E235 Q236 L237 V293 Y295 L298 F333 P334Y230-C232 HydrophobicContact CE1-CB 4.43Å; Y230-E235 WeakPolarHBondContact OH-CA 3.41Å; Y230-Q236 WeakPolarHBondContact CD2-O 3.44Å; Y230-L237 HydrophobicContact CD2-CB 4.25Å; Y230-V293 HydrophobicContact CE2-CG1 4.42Å; Y230-V293 WeakPolarHBondContact CE2-O 3.14Å; Y230-V293 PolarHBondContact OH-O 3.05Å; Y230-V293 VanDerWaalsContact OH-O 3.1Å; Y230-Y295 AromaticContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CE2 4.44Å; Y230-Y295 AromaticContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CG 4.29Å; Y230-Y295 HydrophobicContact CG-CD2 4.44Å; Y230-Y295 PolarHBondContact OH-N 2.97Å; Y230-L298 HydrophobicContact CD2-CD1 3.79Å; Y230-L298 HydrophobicContact CD2-CD2 4.43Å; Y230-L298 HydrophobicContact CE2-CD1 3.92Å; Y230-L298 HydrophobicContact CE2-CD2 4.46Å; Y230-L298 HydrophobicContact CE2-CG 4.47Å; Y230-L298 HydrophobicContact CG-CD1 4.23Å; Y230-F333 HydrophobicContact CG-CZ 4.49Å; Y230-P334 PolarHBondContact N-O 2.8Å
231D94.7Very high95.2Very high32 Ų3239.7 Ų39.717%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-108.9105.9177.4-152.7-70.3000109.4K229 D233 L234 E235 Q236 V238K229-D231 IonicContact NZ-OD2 2.7Å; K229-D231 PolarHBondContact NZ-OD2 3.13Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D231-L234 HydrophobicContact CB-CB 4.38Å; D231-L234 PolarHBondContact OD1-N 3.2Å; D231-E235 WeakPolarHBondContact O-CA 3.4Å; D231-E235 PolarHBondContact O-N 2.76Å; D231-Q236 PolarHBondContact N-O 3.01Å; D231-Q236 PolarHBondContact O-N 3.25Å; D231-Q236 VanDerWaalsContact O-N 3.14Å; D231-V238 HydrophobicContact CB-CG2 4.39Å
232C90.8Very high95.6Very high81 Ų8141.4 Ų41.455%0.54721%0.212SC..THydrogen-bonded Turntrans-72.2-29.4-175-60.30000113Y230Y230-C232 HydrophobicContact CE1-CB 4.43Å
233D92.8Very high95.8Very high156 Ų15643.9 Ų43.983%0.83422%0.22SC*.THydrogen-bonded Turntrans-80.3-23.3-177-58.4-38.5000111.7D231D231-D233 PolarHBondContact OD1-N 2.9Å
234L93.4Very high95.8Very high107 Ų10740 Ų4056%0.5620%0.203SC*.THydrogen-bonded Turntrans-111.92.9-178.7-60.7179.9000114.3D231 Q236D231-L234 HydrophobicContact CB-CB 4.38Å; D231-L234 PolarHBondContact OD1-N 3.2Å; L234-Q236 WeakPolarHBondContact O-CG 3.23Å; L234-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-NE2 3.24Å
235E94.2Very high95.8Very high107 Ų10741.6 Ų41.650%0.521%0.212SC..THydrogen-bonded Turntrans44.951.2-173.8-62-162.2124.200114.3Y230 D231 V293Y230-E235 WeakPolarHBondContact OH-CA 3.41Å; D231-E235 WeakPolarHBondContact O-CA 3.4Å; D231-E235 PolarHBondContact O-N 2.76Å; E235-V293 CarbonylContact O-C 3.51Å; E235-V293 PolarHBondContact O-N 2.88Å; E235-V293 VanDerWaalsContact O-O 3.13Å
236Q94.9Very high95.6Very high50 Ų5047 Ų4723%0.23424%0.242CC..EExtended strand (participates in β ladder)trans-134.4130.5-170.6-87.116473.900113.8Y230 D231 L234 F291 P292Y230-Q236 WeakPolarHBondContact CD2-O 3.44Å; D231-Q236 PolarHBondContact N-O 3.01Å; D231-Q236 PolarHBondContact O-N 3.25Å; D231-Q236 VanDerWaalsContact O-N 3.14Å; L234-Q236 WeakPolarHBondContact O-CG 3.23Å; L234-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-NE2 3.24Å; Q236-F291 WeakPolarHBondContact CA-O 3.36Å; Q236-P292 HydrophobicContact CG-CB 4.26Å
237L94.6Very high95.6Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-81.9115.3166.5179.769000109.3Y230 V239 L264 F291 V293 F333Y230-L237 HydrophobicContact CD2-CB 4.25Å; L237-V239 HydrophobicContact CD2-CG2 4.17Å; L237-V239 HydrophobicContact CG-CG2 4Å; L237-L264 HydrophobicContact CD2-CD1 4.02Å; L237-F291 HydrophobicContact CB-CB 4.34Å; L237-F291 PolarHBondContact N-O 2.8Å; L237-F291 PolarHBondContact O-N 3.27Å; L237-V293 HydrophobicContact CB-CG1 3.81Å; L237-F333 HydrophobicContact CD1-CE2 3.98Å; L237-F333 HydrophobicContact CD1-CZ 4.13Å
238V95.8Very high95.4Very high28 Ų2848 Ų4817%0.1725%0.249CC..EExtended strand (participates in β ladder)trans-91.9122.5176.8-172.70000108.9K229 D231 V288 L290K229-V238 HydrophobicContact CB-CB 4.26Å; K229-V238 PolarHBondContact N-O 3.36Å; K229-V238 WeakPolarHBondContact O-CA 3.34Å; K229-V238 WeakPolarHBondContact O-CB 3.45Å; K229-V238 PolarHBondContact O-N 2.71Å; D231-V238 HydrophobicContact CB-CG2 4.39Å; V238-V288 HydrophobicContact CG1-CG1 3.71Å; V238-L290 HydrophobicContact CB-CD2 4.24Å; V238-L290 HydrophobicContact CG1-CD2 3.98Å; V238-L290 HydrophobicContact CG2-CD2 3.81Å
239V96.8Very high95.2Very high0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans-123.6109-177.8-177.80000108.8L228 L237 I241 F289 F291 L303 F305L228-V239 HydrophobicContact CD2-CB 4.35Å; L228-V239 HydrophobicContact CD2-CG1 4.04Å; L228-V239 HydrophobicContact CD2-CG2 3.96Å; L237-V239 HydrophobicContact CD2-CG2 4.17Å; L237-V239 HydrophobicContact CG-CG2 4Å; V239-I241 HydrophobicContact CG1-CD1 4.27Å; V239-F289 PolarHBondContact N-O 2.92Å; V239-F289 PolarHBondContact O-N 2.89Å; V239-F291 HydrophobicContact CB-CD2 4.47Å; V239-F291 HydrophobicContact CB-CE2 4.19Å; V239-F291 HydrophobicContact CG2-CD2 3.82Å; V239-F291 HydrophobicContact CG2-CE2 3.85Å; V239-L303 HydrophobicContact CG1-CD2 4.04Å; V239-L303 HydrophobicContact CG2-CD1 4.23Å; V239-L303 HydrophobicContact CG2-CD2 3.84Å; V239-F305 HydrophobicContact CG1-CE1 3.88Å; V239-F305 HydrophobicContact CG1-CZ 4.12Å
240K97.6Very high94.8Very high61 Ų6149.3 Ų49.327%0.26526%0.263SS..EExtended strand (participates in β ladder)trans-103.3120.5174.4-179.9-178.3177.1-1650110.8F226 I227 D286 E287 V288F226-K240 CarbonylContact C-O 3.5Å; F226-K240 WeakPolarHBondContact CA-O 3.49Å; F226-K240 WeakPolarHBondContact CB-O 3.45Å; I227-K240 HydrophobicContact CB-CB 4.26Å; I227-K240 HydrophobicContact CD1-CD 4.48Å; I227-K240 PolarHBondContact N-O 3.29Å; I227-K240 PolarHBondContact O-N 3.05Å; K240-D286 WeakPolarHBondContact CE-OD1 3.26Å; K240-D286 IonicContact NZ-OD1 2.66Å; K240-D286 PolarHBondContact NZ-OD1 2.7Å; K240-E287 CarbonylContact C-O 3.55Å; K240-E287 VanDerWaalsContact CA-O 3.31Å; K240-E287 WeakPolarHBondContact CA-O 3.47Å; K240-V288 HydrophobicContact CB-CG2 4.07Å; K240-V288 HydrophobicContact CD-CG2 4.06Å; K240-V288 HydrophobicContact CG-CG2 3.86Å
241I98.1Very high94.2Very high0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-85.1113.1169.4-51.7-55.8000107.8L224 F226 V239 V260 I262 T274 F285 D286 E287 F289 F305L224-I241 HydrophobicContact CD1-CG2 4.27Å; F226-I241 HydrophobicContact CB-CD1 3.99Å; V239-I241 HydrophobicContact CG1-CD1 4.27Å; I241-V260 HydrophobicContact CG2-CG2 4.48Å; I241-I262 HydrophobicContact CD1-CD1 3.85Å; I241-I262 HydrophobicContact CG1-CD1 3.73Å; I241-T274 HydrophobicContact CB-CG2 4.28Å; I241-T274 HydrophobicContact CG1-CG2 4.17Å; I241-T274 HydrophobicContact CG2-CG2 4.34Å; I241-F285 HydrophobicContact CB-CB 4.43Å; I241-F285 HydrophobicContact CG2-CB 4.08Å; I241-F285 HydrophobicContact CG2-CD2 3.52Å; I241-F285 HydrophobicContact CG2-CE2 4.2Å; I241-F285 HydrophobicContact CG2-CG 4Å; I241-D286 CarbonylContact O-C 3.32Å; I241-D286 VanDerWaalsContact O-CA 3.25Å; I241-D286 WeakPolarHBondContact O-CA 3.42Å; I241-D286 PolarHBondContact O-N 2.96Å; I241-E287 PolarHBondContact N-O 2.99Å; I241-E287 PolarHBondContact O-N 3.41Å; I241-E287 VanDerWaalsContact O-N 3.1Å; I241-F289 HydrophobicContact CG1-CD2 4.26Å; I241-F289 HydrophobicContact CG1-CE2 3.91Å; I241-F305 HydrophobicContact CD1-CD1 3.88Å; I241-F305 HydrophobicContact CD1-CE1 3.51Å; I241-F305 HydrophobicContact CD1-CZ 4.38Å
242H97.7Very high93.5Very high40 Ų4060.7 Ų60.719%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-84.7-63.6177.6-179.947.3000110.6N225 V284 F285 D286N225-H242 PolarHBondContact O-N 2.99Å; N225-H242 PolarHBondContact OD1-CD2 2.79Å; N225-H242 VanDerWaalsContact OD1-CD2 3.26Å; H242-V284 CarbonylContact O-C 3.41Å; H242-F285 PolarHBondContact O-N 2.86Å; H242-D286 IonicContact CE1-OD1 2.66Å; H242-D286 IonicContact CE1-OD2 2.59Å; H242-D286 PolarHBondContact CE1-OD2 2.89Å; H242-D286 VanDerWaalsContact CE1-OD2 3.23Å; H242-D286 IonicContact CG-OD1 3.3Å; H242-D286 IonicContact ND1-OD1 3.36Å; H242-D286 PolarHBondContact ND1-OD1 2.87Å; H242-D286 IonicContact ND1-OD2 3.13Å; H242-D286 PolarHBondContact ND1-OD2 2.88Å; H242-D286 PolarHBondContact O-N 2.9Å; H242-D286 VanDerWaalsContact O-N 3.11Å
243K97.7Very high93Very high61 Ų6159.8 Ų59.827%0.26531%0.309SS..EExtended strand (participates in β ladder)trans-159.2163.4-175.863.6-168.4168.5-140.40113.1N225 P283 V284 W340N225-K243 WeakPolarHBondContact CA-O 3.31Å; N225-K243 HydrophobicContact CB-CG 4.16Å; N225-K243 PolarHBondContact N-O 3.34Å; N225-K243 PolarHBondContact O-N 3.04Å; N225-K243 VanDerWaalsContact O-N 3.11Å; K243-P283 CarbonylContact C-O 3.1Å; K243-P283 WeakPolarHBondContact CA-O 3.49Å; K243-P283 VanDerWaalsContact CB-O 3.23Å; K243-P283 WeakPolarHBondContact CB-O 3.22Å; K243-V284 HydrophobicContact CB-CB 4.34Å; K243-V284 HydrophobicContact CB-CG1 4.47Å; K243-V284 HydrophobicContact CB-CG2 4.01Å; K243-V284 HydrophobicContact CD-CG2 4.45Å; K243-W340 HydrophobicContact CG-CH2 4.43Å
244A97.9Very high92.6Very high1 Ų154.7 Ų54.71%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-118.6158.1161.400000110.3K223 L224 L247 N282 P283 F285K223-A244 CarbonylContact O-C 3.5Å; K223-A244 VanDerWaalsContact O-CA 3.28Å; K223-A244 WeakPolarHBondContact O-CA 3.44Å; L224-A244 HydrophobicContact CD1-CB 3.97Å; A244-L247 HydrophobicContact CB-CD1 4.15Å; A244-L247 HydrophobicContact CB-CD2 3.92Å; A244-L247 HydrophobicContact CB-CG 4.15Å; A244-N282 CarbonylContact O-C 3.56Å; A244-N282 VanDerWaalsContact O-CA 3.29Å; A244-N282 WeakPolarHBondContact O-CA 3.37Å; A244-P283 HydrophobicContact CB-CG 3.97Å; A244-P283 PolarHBondContact N-O 2.82Å; A244-F285 HydrophobicContact CB-CE2 4.35Å
245V97.1Very high92.5Very high32 Ų3251.2 Ų51.219%0.19428%0.276CS..EExtended strand (participates in β ladder)trans-135.9150.5178.4-56.20000111.7G222 K223 L247 N282 W340G222-V245 CarbonylContact C-O 3.51Å; G222-V245 WeakPolarHBondContact CA-O 3.33Å; K223-V245 HydrophobicContact CB-CG2 4.06Å; K223-V245 PolarHBondContact N-O 3.49Å; K223-V245 PolarHBondContact O-N 2.95Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.09Å; V245-N282 WeakPolarHBondContact CA-OD1 3.43Å; V245-N282 WeakPolarHBondContact CB-OD1 3.5Å; V245-W340 HydrophobicContact CG1-CH2 4.03Å; V245-W340 HydrophobicContact CG1-CZ3 4.21Å; V245-W340 HydrophobicContact CG2-CH2 4.33Å; V245-W340 HydrophobicContact CG2-CZ3 3.77Å
246N94.8Very high92.5Very high121 Ų12146.1 Ų46.165%0.64725%0.253SS*.SBendtrans5339.5177.4-60.1-21.8000114G222 L281 N282G222-N246 WeakPolarHBondContact CA-O 3.15Å; G222-N246 PolarHBondContact N-O 2.96Å; N246-L281 PolarHBondContact N-O 2.98Å; N246-N282 PolarHBondContact N-OD1 2.87Å
247L95.5Very high92.5Very high5 Ų544.6 Ų44.63%0.02625%0.246CC..PPolyproline II helixtrans-63148172.1-59.6-176.6000110.5C221 A244 V245 P258 L281 P283 V307 I319 I343C221-L247 WeakPolarHBondContact O-CD2 3.26Å; A244-L247 HydrophobicContact CB-CD1 4.15Å; A244-L247 HydrophobicContact CB-CD2 3.92Å; A244-L247 HydrophobicContact CB-CG 4.15Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.09Å; L247-P258 HydrophobicContact CD1-CB 3.58Å; L247-P258 HydrophobicContact CD1-CG 3.87Å; L247-L281 HydrophobicContact CB-CB 4.46Å; L247-L281 WeakPolarHBondContact CB-O 3.37Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 WeakPolarHBondContact O-CB 3.37Å; L247-L281 WeakPolarHBondContact O-CD2 3.46Å; L247-P283 HydrophobicContact CD1-CG 3.85Å; L247-V307 HydrophobicContact CD1-CG1 4.38Å; L247-V307 HydrophobicContact CD2-CG1 4.3Å; L247-I319 HydrophobicContact CD1-CD1 4.43Å; L247-I319 HydrophobicContact CD2-CG2 4.28Å; L247-I343 HydrophobicContact CD2-CD1 3.43Å; L247-I343 VanDerWaalsContact CD2-CD1 3.43Å
248P92.6Very high92.6Very high36 Ų3644.6 Ų44.623%0.23425%0.246CC..PPolyproline II helixtrans-74.3137.8173.731.8-33.6000110.1C221 K250 S256 I319C221-P248 HydrophobicContact CB-CG 4.4Å; P248-K250 PolarHBondContact O-N 2.83Å; P248-S256 PolarHBondContact O-OG 2.78Å; P248-I319 HydrophobicContact CG-CG2 3.8Å
249A91.3Very high92.7Very high46 Ų4643.3 Ų43.338%0.3824%0.238SC..PPolyproline II helixtrans-67.1127.8168.100000110.3G254 T255 L281A249-G254 VanDerWaalsContact CB-C 3.49Å; A249-T255 VanDerWaalsContact CA-O 3.3Å; A249-T255 WeakPolarHBondContact CA-O 3.23Å; A249-T255 WeakPolarHBondContact CB-O 3.09Å; A249-L281 HydrophobicContact CB-CD1 4.31Å; A249-L281 HydrophobicContact CB-CD2 4.11Å
250K87.6Confident92.7Very high64 Ų6443.3 Ų43.328%0.27824%0.238SC..  trans-107.1-30170.6-53.9-60.2-153.466.10112.1P248 T255 S256 D309 D317 L318 I319P248-K250 PolarHBondContact O-N 2.83Å; K250-T255 PolarHBondContact N-O 2.96Å; K250-S256 PolarHBondContact N-OG 2.95Å; K250-S256 VanDerWaalsContact N-OG 3.14Å; K250-D309 HydrophobicContact CB-CB 4.35Å; K250-D309 WeakPolarHBondContact CB-OD2 3.43Å; K250-D309 HydrophobicContact CG-CB 4.33Å; K250-D317 HydrophobicContact CB-CB 4.44Å; K250-D317 WeakPolarHBondContact CD-OD2 2.91Å; K250-D317 HydrophobicContact CG-CB 4.45Å; K250-D317 WeakPolarHBondContact CG-OD2 3.39Å; K250-D317 IonicContact NZ-OD2 3.81Å; K250-D317 PolarHBondContact NZ-OD2 3.04Å; K250-L318 PolarHBondContact NZ-O 2.86Å; K250-I319 HydrophobicContact CG-CG1 4.16Å
251D83.2Confident92.6Very high54 Ų5442.3 Ų42.329%0.28923%0.234SC..SBendtrans-63.9142.5178.7-141.617.6000112S253 G254 T255D251-S253 WeakPolarHBondContact CB-OG 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.3Å; D251-S253 PolarHBondContact O-N 2.7Å; D251-S253 VanDerWaalsContact OD2-CB 3.24Å; D251-S253 WeakPolarHBondContact OD2-CB 3.3Å; D251-S253 PolarHBondContact OD2-OG 2.93Å; D251-G254 PolarHBondContact O-N 2.89Å; D251-T255 WeakPolarHBondContact CB-O 3.47Å; D251-T255 PolarHBondContact N-O 2.93Å
252F78.8Confident92.4Very high225 Ų22542.3 Ų42.399%0.98723%0.234SC*.THydrogen-bonded Turntrans-60.1-9.8166.5-59.8-79.8000113G254F252-G254 VanDerWaalsContact C-N 3.27Å
253S80.4Confident92Very high61 Ų6142.5 Ų42.543%0.42723%0.233SC..THydrogen-bonded Turntrans-76.1-10.7174.977.40000114D251 T255D251-S253 WeakPolarHBondContact CB-OG 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.3Å; D251-S253 PolarHBondContact O-N 2.7Å; D251-S253 VanDerWaalsContact OD2-CB 3.24Å; D251-S253 WeakPolarHBondContact OD2-CB 3.3Å; D251-S253 PolarHBondContact OD2-OG 2.93Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact OG-N 2.83Å; S253-T255 PolarHBondContact OG-OG1 3.09Å
254G84.6Confident91.6Very high49 Ų4939.8 Ų39.851%0.50522%0.222SC..SBendtrans76.714.1-171.400000113.6A249 D251 F252A249-G254 VanDerWaalsContact CB-C 3.49Å; D251-G254 PolarHBondContact O-N 2.89Å; F252-G254 VanDerWaalsContact C-N 3.27Å
255T91.4Very high90.9Very high34 Ų3441.6 Ų41.621%0.20923%0.231CC..SBendtrans-131.3-15617363.60000109.8A249 K250 D251 S253 K279A249-T255 VanDerWaalsContact CA-O 3.3Å; A249-T255 WeakPolarHBondContact CA-O 3.23Å; A249-T255 WeakPolarHBondContact CB-O 3.09Å; K250-T255 PolarHBondContact N-O 2.96Å; D251-T255 WeakPolarHBondContact CB-O 3.47Å; D251-T255 PolarHBondContact N-O 2.93Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact OG-N 2.83Å; S253-T255 PolarHBondContact OG-OG1 3.09Å; T255-K279 WeakPolarHBondContact OG1-CA 3.49Å; T255-K279 WeakPolarHBondContact OG1-CB 3.35Å
256S94.2Very high90Very high0 Ų044.9 Ų44.90%025%0.253CS..  trans-153.2159.8171.8-82.20000108.5P248 K250 P258 K279 T280 D309P248-S256 PolarHBondContact O-OG 2.78Å; K250-S256 PolarHBondContact N-OG 2.95Å; K250-S256 VanDerWaalsContact N-OG 3.14Å; S256-P258 WeakPolarHBondContact O-CD 3.49Å; S256-K279 CarbonylContact O-C 3.57Å; S256-K279 WeakPolarHBondContact O-CA 3.22Å; S256-K279 PolarHBondContact O-N 3.01Å; S256-T280 PolarHBondContact O-N 3.44Å; S256-D309 WeakPolarHBondContact CA-OD2 3.39Å; S256-D309 VanDerWaalsContact CB-CG 3.48Å; S256-D309 WeakPolarHBondContact CB-OD2 3.41Å; S256-D309 PolarHBondContact OG-OD2 2.89Å
257D95.4Very high89Confident18 Ų1841.5 Ų41.510%0.09624%0.235CC..  trans-10265167-84.515.7000109.8V276 H277 R278 K279 D309 F310D257-V276 HydrophobicContact CB-CG1 3.87Å; D257-H277 CarbonylContact C-O 3.42Å; D257-H277 VanDerWaalsContact CA-O 3.26Å; D257-H277 WeakPolarHBondContact CA-O 3.19Å; D257-R278 WeakPolarHBondContact OD1-CA 3.43Å; D257-R278 WeakPolarHBondContact OD1-CB 3.32Å; D257-R278 WeakPolarHBondContact OD2-CD 3.07Å; D257-R278 VanDerWaalsContact OD2-CG 3.22Å; D257-R278 WeakPolarHBondContact OD2-CG 3.4Å; D257-R278 IonicContact OD2-NE 3.72Å; D257-R278 PolarHBondContact OD2-NE 2.79Å; D257-R278 VanDerWaalsContact OD2-NE 3.13Å; D257-K279 PolarHBondContact OD1-N 3.08Å; D257-D309 WeakPolarHBondContact CA-OD1 3.25Å; D257-D309 PolarHBondContact N-OD1 2.84Å; D257-F310 HydrophobicContact CB-CB 4.01Å; D257-F310 VanDerWaalsContact O-CB 3.26Å; D257-F310 WeakPolarHBondContact O-CB 3.19Å; D257-F310 PolarHBondContact O-N 2.89Å
258P96.9Very high87.7Confident0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-67.3149.5-168.828-40.1000116.1L247 S256 H277 T280 P283 Y308 I319L247-P258 HydrophobicContact CD1-CB 3.58Å; L247-P258 HydrophobicContact CD1-CG 3.87Å; S256-P258 WeakPolarHBondContact O-CD 3.49Å; P258-H277 WeakPolarHBondContact CD-O 3.33Å; P258-H277 PolarHBondContact O-N 3.5Å; P258-T280 WeakPolarHBondContact CD-O 3.29Å; P258-T280 HydrophobicContact CG-CG2 4.05Å; P258-T280 VanDerWaalsContact CG-O 3.3Å; P258-T280 WeakPolarHBondContact CG-O 3.26Å; P258-P283 HydrophobicContact CB-CG 4.16Å; P258-P283 HydrophobicContact CG-CB 3.88Å; P258-P283 HydrophobicContact CG-CG 3.62Å; P258-Y308 VanDerWaalsContact CA-O 3.3Å; P258-Y308 WeakPolarHBondContact CA-O 3.34Å; P258-I319 HydrophobicContact CB-CD1 4.47Å
259Y97.6Very high86.2Confident1 Ų154.5 Ų54.50%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-150.3162167.873.7-76.6000111.5K261 Q273 T274 K275 V276 Y308 F310 H316Y259-K261 HydrophobicContact CD2-CG 4.48Å; Y259-K261 HydrophobicContact CE2-CD 4.37Å; Y259-K261 HydrophobicContact CE2-CG 3.89Å; Y259-K261 WeakPolarHBondContact OH-CE 3.28Å; Y259-K261 PolarHBondContact OH-NZ 2.8Å; Y259-Q273 HydrophobicContact CD2-CG 3.56Å; Y259-Q273 VanDerWaalsContact CE2-CD 3.47Å; Y259-Q273 HydrophobicContact CE2-CG 3.89Å; Y259-T274 WeakPolarHBondContact CA-OG1 3.34Å; Y259-K275 WeakPolarHBondContact CB-O 3.42Å; Y259-V276 HydrophobicContact CD1-CG2 4.16Å; Y259-V276 HydrophobicContact CG-CG2 4.15Å; Y259-Y308 HydrophobicContact CE1-CG 4.26Å; Y259-Y308 HydrophobicContact CE2-CD2 4.4Å; Y259-Y308 AromaticContact CZ-CG 3.9Å; Y259-Y308 PolarHBondContact N-O 2.88Å; Y259-Y308 PolarHBondContact O-N 3.04Å; Y259-Y308 WeakPolarHBondContact OH-CB 3.38Å; Y259-F310 HydrophobicContact CD1-CB 3.9Å; Y259-F310 HydrophobicContact CE1-CB 4.06Å; Y259-H316 HydrophobicContact CE1-CB 4.43Å; Y259-H316 AromaticContact CE1-ND1 3.7Å; Y259-H316 AromaticContact CZ-ND1 3.52Å; Y259-H316 PolarHBondContact OH-ND1 3.26Å
260V97.2Very high85.2Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-118.6133.7-178.2-170.40000110.3L224 I241 I262 Q273 T274 F285 F305 S306 V307L224-V260 HydrophobicContact CD1-CG2 4.28Å; I241-V260 HydrophobicContact CG2-CG2 4.48Å; V260-I262 HydrophobicContact CG1-CG1 4.43Å; V260-Q273 VanDerWaalsContact O-CA 3.31Å; V260-Q273 WeakPolarHBondContact O-CA 3.27Å; V260-T274 HydrophobicContact CB-CG2 3.96Å; V260-T274 HydrophobicContact CG2-CG2 4.43Å; V260-T274 PolarHBondContact N-OG1 2.91Å; V260-T274 PolarHBondContact O-N 2.91Å; V260-F285 HydrophobicContact CG2-CE1 4.48Å; V260-F285 HydrophobicContact CG2-CE2 3.92Å; V260-F285 HydrophobicContact CG2-CZ 3.82Å; V260-F305 HydrophobicContact CG1-CB 4.08Å; V260-F305 HydrophobicContact CG1-CD1 4.31Å; V260-S306 WeakPolarHBondContact CA-O 3.41Å; V260-V307 HydrophobicContact CG2-CG2 4.3Å
261K94.1Very high84.9Confident41 Ų4159 Ų5918%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-99.6145.3164.2-60.8178.7-163.5157.60109.7Y259 Y263 H272 Q273 F305 S306 Y308Y259-K261 HydrophobicContact CD2-CG 4.48Å; Y259-K261 HydrophobicContact CE2-CD 4.37Å; Y259-K261 HydrophobicContact CE2-CG 3.89Å; Y259-K261 WeakPolarHBondContact OH-CE 3.28Å; Y259-K261 PolarHBondContact OH-NZ 2.8Å; K261-Y263 HydrophobicContact CB-CE2 3.89Å; K261-H272 CarbonylContact C-O 3.48Å; K261-H272 WeakPolarHBondContact CA-O 3.33Å; K261-Q273 HydrophobicContact CG-CG 4.05Å; K261-F305 WeakPolarHBondContact O-CA 3.49Å; K261-S306 PolarHBondContact N-O 2.85Å; K261-S306 PolarHBondContact O-N 2.91Å; K261-Y308 HydrophobicContact CD-CD2 4Å; K261-Y308 HydrophobicContact CD-CE2 3.65Å; K261-Y308 HydrophobicContact CG-CD2 4.18Å; K261-Y308 HydrophobicContact CG-CE2 4.22Å
262I94.3Very high85.3Confident0 Ų059.2 Ų59.20%030%0.299CS..EExtended strand (participates in β ladder)trans-131.1132.3-174.7-38.7175.5000109.5I241 V260 H272 F289 F291 L303 H304 F305I241-I262 HydrophobicContact CD1-CD1 3.85Å; I241-I262 HydrophobicContact CG1-CD1 3.73Å; V260-I262 HydrophobicContact CG1-CG1 4.43Å; I262-H272 HydrophobicContact CB-CB 4.28Å; I262-H272 HydrophobicContact CD1-CB 4.48Å; I262-H272 PolarHBondContact N-O 2.94Å; I262-H272 PolarHBondContact O-N 2.67Å; I262-F289 HydrophobicContact CD1-CB 4.46Å; I262-F289 HydrophobicContact CD1-CD2 3.3Å; I262-F289 HydrophobicContact CD1-CE2 3.59Å; I262-F289 HydrophobicContact CD1-CG 3.89Å; I262-F289 HydrophobicContact CD1-CZ 4.37Å; I262-F291 HydrophobicContact CB-CZ 4.12Å; I262-F291 HydrophobicContact CG2-CE2 4.03Å; I262-F291 HydrophobicContact CG2-CZ 3.68Å; I262-L303 HydrophobicContact CG2-CD1 3.73Å; I262-L303 HydrophobicContact CG2-CG 4.42Å; I262-H304 WeakPolarHBondContact CA-O 3.33Å; I262-F305 HydrophobicContact CB-CD1 4.41Å; I262-F305 HydrophobicContact CD1-CE1 4.49Å; I262-F305 HydrophobicContact CG1-CD1 4.09Å; I262-F305 HydrophobicContact CG1-CE1 4.41Å; I262-F305 HydrophobicContact CG2-CD1 3.82Å; I262-F305 HydrophobicContact CG2-CE1 3.73Å
263Y89.6Confident86Confident43 Ų4353.3 Ų53.317%0.16927%0.274CS..EExtended strand (participates in β ladder)trans-133.4140.6178-51.3-92.2000110.6K261 K271 H304K261-Y263 HydrophobicContact CB-CE2 3.89Å; Y263-K271 HydrophobicContact CD1-CB 3.88Å; Y263-K271 HydrophobicContact CE1-CB 3.54Å; Y263-H304 AromaticContact CD2-ND1 3.97Å; Y263-H304 PolarHBondContact N-O 3.26Å; Y263-H304 PolarHBondContact O-N 3.13Å
264L89.8Confident86.9Confident5 Ų550.6 Ų50.63%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-102.481.5171.6-17364.6000109.8L237 D267 F291 V293 R301 L303 F327L237-L264 HydrophobicContact CD2-CD1 4.02Å; L264-D267 CarbonylContact C-O 3.57Å; L264-D267 PolarHBondContact O-N 3.31Å; L264-D267 VanDerWaalsContact O-N 3.07Å; L264-F291 HydrophobicContact CB-CD1 3.6Å; L264-F291 HydrophobicContact CB-CE1 3.87Å; L264-F291 HydrophobicContact CB-CG 4.28Å; L264-F291 HydrophobicContact CD2-CB 3.85Å; L264-F291 HydrophobicContact CD2-CD1 4.22Å; L264-F291 HydrophobicContact CD2-CG 4.25Å; L264-V293 HydrophobicContact CD2-CB 4.03Å; L264-V293 HydrophobicContact CD2-CG1 3.93Å; L264-V293 HydrophobicContact CD2-CG2 4.3Å; L264-R301 HydrophobicContact CD1-CB 3.75Å; L264-R301 HydrophobicContact CD1-CG 4.34Å; L264-R301 HydrophobicContact CD2-CG 4.46Å; L264-R301 HydrophobicContact CG-CB 4.14Å; L264-R301 HydrophobicContact CG-CG 4.25Å; L264-L303 HydrophobicContact CD1-CD1 4.26Å; L264-F327 HydrophobicContact CD1-CZ 4.38Å
265L83.3Confident87.4Confident39 Ų3954.7 Ų54.720%0.20426%0.259CS..EExtended strand (participates in β ladder)trans-57.8144.3-177.8-58.5-179.5000110.8R268 R301 K302 H304L265-R268 HydrophobicContact CD2-CG 3.74Å; L265-R301 CarbonylContact O-C 3.6Å; L265-R301 VanDerWaalsContact O-CA 3.23Å; L265-R301 WeakPolarHBondContact O-CA 3.41Å; L265-R301 WeakPolarHBondContact O-CD 3.24Å; L265-K302 HydrophobicContact CB-CB 4.29Å; L265-K302 WeakPolarHBondContact CB-O 3.47Å; L265-K302 PolarHBondContact N-O 2.81Å; L265-K302 PolarHBondContact O-N 3.26Å; L265-H304 HydrophobicContact CD1-CB 3.77Å; L265-H304 HydrophobicContact CG-CB 4Å
266P76.6Confident87.7Confident101 Ų10155.1 Ų55.166%0.65626%0.262SS*.THydrogen-bonded Turncis-78.6-1.89.331.8-36.7000115.8R268P266-R268 PolarHBondContact O-N 3.09Å
267D74.3Confident87.8Confident49 Ų4957.5 Ų57.526%0.26227%0.273SS..  trans-74.9125176.8-164.71.1000111.4L264 K269 T270L264-D267 CarbonylContact C-O 3.57Å; L264-D267 PolarHBondContact O-N 3.31Å; L264-D267 VanDerWaalsContact O-N 3.07Å; D267-K269 VanDerWaalsContact OD1-CB 3.28Å; D267-K269 WeakPolarHBondContact OD1-CB 3.31Å; D267-K269 PolarHBondContact OD1-N 3.06Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.44Å; D267-T270 PolarHBondContact OD2-OG1 3.05Å
268R68.9Low87.8Confident127 Ų12765 Ų6548%0.47930%0.3SS..  trans-111.8-3.3174.5-66.1-173.3-177.4159.15.1113L265 P266 D352L265-R268 HydrophobicContact CD2-CG 3.74Å; P266-R268 PolarHBondContact O-N 3.09Å; R268-D352 IonicContact CZ-OD2 2.71Å; R268-D352 IonicContact NH1-OD2 3.14Å; R268-D352 PolarHBondContact NH1-OD2 3.5Å; R268-D352 IonicContact NH2-OD2 2.67Å; R268-D352 PolarHBondContact NH2-OD2 3.43Å
269K60.3Low87.7Confident188 Ų18871.8 Ų71.882%0.81733%0.329SS*.SBendtrans-77-45.4175.7-58.6175.5-178.5174.90110.3D267 K271D267-K269 VanDerWaalsContact OD1-CB 3.28Å; D267-K269 WeakPolarHBondContact OD1-CB 3.31Å; D267-K269 PolarHBondContact OD1-N 3.06Å; K269-K271 PolarHBondContact O-N 3.16Å
270T71.4Confident87.6Confident58 Ų5873.5 Ų73.536%0.35634%0.34SS..SBendtrans-75.986.3175.345.20000110.5D267D267-T270 WeakPolarHBondContact OD2-CG2 3.44Å; D267-T270 PolarHBondContact OD2-OG1 3.05Å
271K81.1Confident87.5Confident145 Ų14575.6 Ų75.663%0.6335%0.351SS*.EExtended strand (participates in β ladder)trans-105128.9175.472.8-169.2-179.7-170.90110.8Y263 K269Y263-K271 HydrophobicContact CD1-CB 3.88Å; Y263-K271 HydrophobicContact CE1-CB 3.54Å; K269-K271 PolarHBondContact O-N 3.16Å
272H91.3Very high87.7Confident60 Ų6077.4 Ų77.428%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-107.6157.6168.1-68.8-94.9000110.1K261 I262 F289 F291K261-H272 CarbonylContact C-O 3.48Å; K261-H272 WeakPolarHBondContact CA-O 3.33Å; I262-H272 HydrophobicContact CB-CB 4.28Å; I262-H272 HydrophobicContact CD1-CB 4.48Å; I262-H272 PolarHBondContact N-O 2.94Å; I262-H272 PolarHBondContact O-N 2.67Å; H272-F289 HydrophobicContact CB-CB 4.29Å; H272-F289 HydrophobicContact CB-CD1 3.63Å; H272-F289 HydrophobicContact CB-CE1 4.18Å; H272-F289 HydrophobicContact CB-CG 4.02Å; H272-F289 AromaticContact CG-CD1 3.94Å; H272-F289 AromaticContact ND1-CD1 3.71Å; H272-F291 HydrophobicContact CB-CZ 4.35Å; H272-F291 AromaticContact CD2-CE1 3.5Å; H272-F291 AromaticContact CD2-CZ 3.52Å
273Q94.1Very high87.8Confident100 Ų10077.5 Ų77.547%0.46736%0.363SS..EExtended strand (participates in β ladder)trans-148.6138.9-177.3-163.5-172.4-69.900110.9Y259 V260 K261 F289Y259-Q273 HydrophobicContact CD2-CG 3.56Å; Y259-Q273 VanDerWaalsContact CE2-CD 3.47Å; Y259-Q273 HydrophobicContact CE2-CG 3.89Å; V260-Q273 VanDerWaalsContact O-CA 3.31Å; V260-Q273 WeakPolarHBondContact O-CA 3.27Å; K261-Q273 HydrophobicContact CG-CG 4.05Å; Q273-F289 WeakPolarHBondContact O-CE1 3.32Å
274T97.8Very high88.2Confident4 Ų479 Ų793%0.02538%0.377CS..PPolyproline II helixtrans-73.9166.4169.569.10000112I241 Y259 V260 F285 E287 F289I241-T274 HydrophobicContact CB-CG2 4.28Å; I241-T274 HydrophobicContact CG1-CG2 4.17Å; I241-T274 HydrophobicContact CG2-CG2 4.34Å; Y259-T274 WeakPolarHBondContact CA-OG1 3.34Å; V260-T274 HydrophobicContact CB-CG2 3.96Å; V260-T274 HydrophobicContact CG2-CG2 4.43Å; V260-T274 PolarHBondContact N-OG1 2.91Å; V260-T274 PolarHBondContact O-N 2.91Å; T274-F285 HydrophobicContact CG2-CB 4.4Å; T274-F285 HydrophobicContact CG2-CD1 3.96Å; T274-F285 HydrophobicContact CG2-CE1 4.45Å; T274-F285 HydrophobicContact CG2-CG 4.19Å; T274-F285 WeakPolarHBondContact OG1-CE1 3.38Å; T274-E287 WeakPolarHBondContact CA-OE1 3.47Å; T274-E287 WeakPolarHBondContact CB-OE1 3.45Å; T274-F289 HydrophobicContact CG2-CE2 4.08Å; T274-F289 HydrophobicContact CG2-CZ 4.04Å
275K96.9Very high88.6Confident135 Ų13579.4 Ų79.459%0.58738%0.378SS*.PPolyproline II helixtrans-59.6159159.7-65.8171.3-171.799.10110.6Y259 E287Y259-K275 WeakPolarHBondContact CB-O 3.42Å; K275-E287 WeakPolarHBondContact CE-OE2 3.35Å; K275-E287 WeakPolarHBondContact CG-OE2 3.37Å; K275-E287 PolarHBondContact N-OE1 3.47Å; K275-E287 IonicContact NZ-OE2 2.7Å; K275-E287 PolarHBondContact NZ-OE2 2.78Å
276V97.1Very high89.3Confident43 Ų4380.9 Ų80.926%0.26139%0.386SS..PPolyproline II helixtrans-89.7118.5174173.30000108.7D257 Y259 F310D257-V276 HydrophobicContact CB-CG1 3.87Å; Y259-V276 HydrophobicContact CD1-CG2 4.16Å; Y259-V276 HydrophobicContact CG-CG2 4.15Å; V276-F310 HydrophobicContact CB-CB 4.35Å; V276-F310 HydrophobicContact CB-CG 4.47Å; V276-F310 HydrophobicContact CG1-CB 3.52Å; V276-F310 HydrophobicContact CG1-CD1 4.05Å; V276-F310 HydrophobicContact CG1-CG 3.79Å; V276-F310 HydrophobicContact CG2-CB 3.82Å; V276-F310 HydrophobicContact CG2-CD2 3.86Å; V276-F310 HydrophobicContact CG2-CG 3.86Å
277H96.8Very high90.3Very high50 Ų5077.3 Ų77.323%0.23136%0.361CS..PPolyproline II helixtrans-98116.4177.7-73.9-106.4000109.1D257 P258 T280 P283 V284 F285D257-H277 CarbonylContact C-O 3.42Å; D257-H277 VanDerWaalsContact CA-O 3.26Å; D257-H277 WeakPolarHBondContact CA-O 3.19Å; P258-H277 WeakPolarHBondContact CD-O 3.33Å; P258-H277 PolarHBondContact O-N 3.5Å; H277-T280 HydrophobicContact CB-CG2 3.89Å; H277-P283 HydrophobicContact CB-CB 3.87Å; H277-V284 PolarHBondContact CE1-O 3.1Å; H277-V284 PolarHBondContact ND1-O 3.12Å; H277-F285 AromaticContact CD2-CD1 3.36Å; H277-F285 WeakPolarHBondContact CD2-CD1 3.46Å; H277-F285 AromaticContact CD2-CE1 3.59Å; H277-F285 AromaticContact NE2-CD1 3.56Å
278R95.1Very high91.4Very high175 Ų17579 Ų7966%0.6637%0.373SS*.THydrogen-bonded Turntrans-79.3143.1-170.3-62.2-150.1164.889.86.7114.3D257 T280D257-R278 WeakPolarHBondContact OD1-CA 3.43Å; D257-R278 WeakPolarHBondContact OD1-CB 3.32Å; D257-R278 WeakPolarHBondContact OD2-CD 3.07Å; D257-R278 VanDerWaalsContact OD2-CG 3.22Å; D257-R278 WeakPolarHBondContact OD2-CG 3.4Å; D257-R278 IonicContact OD2-NE 3.72Å; D257-R278 PolarHBondContact OD2-NE 2.79Å; D257-R278 VanDerWaalsContact OD2-NE 3.13Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 3.12Å
279K93.8Very high92.7Very high143 Ų14374 Ų7462%0.62235%0.354SS*.THydrogen-bonded Turntrans47.249.7170.4-59.7-173.1177.6-175.50114.3T255 S256 D257T255-K279 WeakPolarHBondContact OG1-CA 3.49Å; T255-K279 WeakPolarHBondContact OG1-CB 3.35Å; S256-K279 CarbonylContact O-C 3.57Å; S256-K279 WeakPolarHBondContact O-CA 3.22Å; S256-K279 PolarHBondContact O-N 3.01Å; D257-K279 PolarHBondContact OD1-N 3.08Å
280T96.2Very high94.4Very high37 Ų3769 Ų6923%0.22734%0.336CS..  trans-139.6139.4179.3-177.50000112.2S256 P258 H277 R278 N282 P283S256-T280 PolarHBondContact O-N 3.44Å; P258-T280 WeakPolarHBondContact CD-O 3.29Å; P258-T280 HydrophobicContact CG-CG2 4.05Å; P258-T280 VanDerWaalsContact CG-O 3.3Å; P258-T280 WeakPolarHBondContact CG-O 3.26Å; H277-T280 HydrophobicContact CB-CG2 3.89Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 3.12Å; T280-N282 VanDerWaalsContact OG1-C 3.3Å; T280-N282 PolarHBondContact OG1-N 3.4Å; T280-N282 PolarHBondContact OG1-O 2.86Å; T280-P283 HydrophobicContact CG2-CB 3.89Å
281L95.8Very high95.4Very high45 Ų4566.4 Ų66.424%0.23632%0.32CS..SBendtrans-97.80.5170.2-56.2-176.7000112.2N246 L247 A249N246-L281 PolarHBondContact N-O 2.98Å; L247-L281 HydrophobicContact CB-CB 4.46Å; L247-L281 WeakPolarHBondContact CB-O 3.37Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 WeakPolarHBondContact O-CB 3.37Å; L247-L281 WeakPolarHBondContact O-CD2 3.46Å; A249-L281 HydrophobicContact CB-CD1 4.31Å; A249-L281 HydrophobicContact CB-CD2 4.11Å
282N97Very high96Very high79 Ų7964.7 Ų64.742%0.42232%0.324SS..SBendtrans-137.364.5-179.6-60.4-79.1000110.1A244 V245 N246 T280A244-N282 CarbonylContact O-C 3.56Å; A244-N282 VanDerWaalsContact O-CA 3.29Å; A244-N282 WeakPolarHBondContact O-CA 3.37Å; V245-N282 WeakPolarHBondContact CA-OD1 3.43Å; V245-N282 WeakPolarHBondContact CB-OD1 3.5Å; N246-N282 PolarHBondContact N-OD1 2.87Å; T280-N282 VanDerWaalsContact OG1-C 3.3Å; T280-N282 PolarHBondContact OG1-N 3.4Å; T280-N282 PolarHBondContact OG1-O 2.86Å
283P97.4Very high96Very high2 Ų262 Ų621%0.01331%0.311CS..  trans-69.8136.1-17930.1-36.5000111.8K243 A244 L247 P258 H277 T280 F285K243-P283 CarbonylContact C-O 3.1Å; K243-P283 WeakPolarHBondContact CA-O 3.49Å; K243-P283 VanDerWaalsContact CB-O 3.23Å; K243-P283 WeakPolarHBondContact CB-O 3.22Å; A244-P283 HydrophobicContact CB-CG 3.97Å; A244-P283 PolarHBondContact N-O 2.82Å; L247-P283 HydrophobicContact CD1-CG 3.85Å; P258-P283 HydrophobicContact CB-CG 4.16Å; P258-P283 HydrophobicContact CG-CB 3.88Å; P258-P283 HydrophobicContact CG-CG 3.62Å; H277-P283 HydrophobicContact CB-CB 3.87Å; T280-P283 HydrophobicContact CG2-CB 3.89Å; P283-F285 HydrophobicContact CB-CD2 4.44Å; P283-F285 HydrophobicContact CB-CE1 3.99Å; P283-F285 HydrophobicContact CB-CE2 3.84Å; P283-F285 HydrophobicContact CB-CZ 3.59Å; P283-F285 HydrophobicContact CG-CE1 4.33Å; P283-F285 HydrophobicContact CG-CE2 3.56Å; P283-F285 HydrophobicContact CG-CZ 3.44Å; P283-F285 VanDerWaalsContact CG-CZ 3.44Å
284V97.9Very high95.9Very high74 Ų7459.9 Ų59.945%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-107.2113.2166.5-177.60000107.1H242 K243 H277 D286H242-V284 CarbonylContact O-C 3.41Å; K243-V284 HydrophobicContact CB-CB 4.34Å; K243-V284 HydrophobicContact CB-CG1 4.47Å; K243-V284 HydrophobicContact CB-CG2 4.01Å; K243-V284 HydrophobicContact CD-CG2 4.45Å; H277-V284 PolarHBondContact CE1-O 3.1Å; H277-V284 PolarHBondContact ND1-O 3.12Å; V284-D286 VanDerWaalsContact CG1-OD2 3.25Å; V284-D286 WeakPolarHBondContact CG1-OD2 3.42Å
285F97.6Very high95.5Very high14 Ų1464.4 Ų64.46%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-92-51.2-175.1-58-80.4000111.1I241 H242 A244 V260 T274 H277 P283 E287I241-F285 HydrophobicContact CB-CB 4.43Å; I241-F285 HydrophobicContact CG2-CB 4.08Å; I241-F285 HydrophobicContact CG2-CD2 3.52Å; I241-F285 HydrophobicContact CG2-CE2 4.2Å; I241-F285 HydrophobicContact CG2-CG 4Å; H242-F285 PolarHBondContact O-N 2.86Å; A244-F285 HydrophobicContact CB-CE2 4.35Å; V260-F285 HydrophobicContact CG2-CE1 4.48Å; V260-F285 HydrophobicContact CG2-CE2 3.92Å; V260-F285 HydrophobicContact CG2-CZ 3.82Å; T274-F285 HydrophobicContact CG2-CB 4.4Å; T274-F285 HydrophobicContact CG2-CD1 3.96Å; T274-F285 HydrophobicContact CG2-CE1 4.45Å; T274-F285 HydrophobicContact CG2-CG 4.19Å; T274-F285 WeakPolarHBondContact OG1-CE1 3.38Å; H277-F285 AromaticContact CD2-CD1 3.36Å; H277-F285 WeakPolarHBondContact CD2-CD1 3.46Å; H277-F285 AromaticContact CD2-CE1 3.59Å; H277-F285 AromaticContact NE2-CD1 3.56Å; P283-F285 HydrophobicContact CB-CD2 4.44Å; P283-F285 HydrophobicContact CB-CE1 3.99Å; P283-F285 HydrophobicContact CB-CE2 3.84Å; P283-F285 HydrophobicContact CB-CZ 3.59Å; P283-F285 HydrophobicContact CG-CE1 4.33Å; P283-F285 HydrophobicContact CG-CE2 3.56Å; P283-F285 HydrophobicContact CG-CZ 3.44Å; P283-F285 VanDerWaalsContact CG-CZ 3.44Å; F285-E287 WeakPolarHBondContact O-CG 3.25Å; F285-E287 PolarHBondContact O-N 3.33Å
286D97.3Very high95.2Very high69 Ų6964.9 Ų64.937%0.36933%0.332SS..EExtended strand (participates in β ladder)trans50.236.1-173-86.8-59.1000115K240 I241 H242 V284K240-D286 WeakPolarHBondContact CE-OD1 3.26Å; K240-D286 IonicContact NZ-OD1 2.66Å; K240-D286 PolarHBondContact NZ-OD1 2.7Å; I241-D286 CarbonylContact O-C 3.32Å; I241-D286 VanDerWaalsContact O-CA 3.25Å; I241-D286 WeakPolarHBondContact O-CA 3.42Å; I241-D286 PolarHBondContact O-N 2.96Å; H242-D286 IonicContact CE1-OD1 2.66Å; H242-D286 IonicContact CE1-OD2 2.59Å; H242-D286 PolarHBondContact CE1-OD2 2.89Å; H242-D286 VanDerWaalsContact CE1-OD2 3.23Å; H242-D286 IonicContact CG-OD1 3.3Å; H242-D286 IonicContact ND1-OD1 3.36Å; H242-D286 PolarHBondContact ND1-OD1 2.87Å; H242-D286 IonicContact ND1-OD2 3.13Å; H242-D286 PolarHBondContact ND1-OD2 2.88Å; H242-D286 PolarHBondContact O-N 2.9Å; H242-D286 VanDerWaalsContact O-N 3.11Å; V284-D286 VanDerWaalsContact CG1-OD2 3.25Å; V284-D286 WeakPolarHBondContact CG1-OD2 3.42Å
287E97.9Very high94.9Very high27 Ų2766 Ų6613%0.12634%0.337CS..EExtended strand (participates in β ladder)trans-101.2139.8-178.9-63.9-170.6-86.300112.7K240 I241 T274 K275 F285 F289K240-E287 CarbonylContact C-O 3.55Å; K240-E287 VanDerWaalsContact CA-O 3.31Å; K240-E287 WeakPolarHBondContact CA-O 3.47Å; I241-E287 PolarHBondContact N-O 2.99Å; I241-E287 PolarHBondContact O-N 3.41Å; I241-E287 VanDerWaalsContact O-N 3.1Å; T274-E287 WeakPolarHBondContact CA-OE1 3.47Å; T274-E287 WeakPolarHBondContact CB-OE1 3.45Å; K275-E287 WeakPolarHBondContact CE-OE2 3.35Å; K275-E287 WeakPolarHBondContact CG-OE2 3.37Å; K275-E287 PolarHBondContact N-OE1 3.47Å; K275-E287 IonicContact NZ-OE2 2.7Å; K275-E287 PolarHBondContact NZ-OE2 2.78Å; F285-E287 WeakPolarHBondContact O-CG 3.25Å; F285-E287 PolarHBondContact O-N 3.33Å; E287-F289 HydrophobicContact CB-CE2 3.74Å; E287-F289 HydrophobicContact CB-CZ 3.71Å
288V97.4Very high94.5Very high84 Ų8463.6 Ų63.651%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-111135.2-177.3-172.70000110.2V238 K240V238-V288 HydrophobicContact CG1-CG1 3.71Å; K240-V288 HydrophobicContact CB-CG2 4.07Å; K240-V288 HydrophobicContact CD-CG2 4.06Å; K240-V288 HydrophobicContact CG-CG2 3.86Å
289F96.4Very high94.1Very high21 Ų2162.2 Ų62.29%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-127.8146.7179.5-53.8-79.8000109.9V239 I241 I262 H272 Q273 T274 E287 F291V239-F289 PolarHBondContact N-O 2.92Å; V239-F289 PolarHBondContact O-N 2.89Å; I241-F289 HydrophobicContact CG1-CD2 4.26Å; I241-F289 HydrophobicContact CG1-CE2 3.91Å; I262-F289 HydrophobicContact CD1-CB 4.46Å; I262-F289 HydrophobicContact CD1-CD2 3.3Å; I262-F289 HydrophobicContact CD1-CE2 3.59Å; I262-F289 HydrophobicContact CD1-CG 3.89Å; I262-F289 HydrophobicContact CD1-CZ 4.37Å; H272-F289 HydrophobicContact CB-CB 4.29Å; H272-F289 HydrophobicContact CB-CD1 3.63Å; H272-F289 HydrophobicContact CB-CE1 4.18Å; H272-F289 HydrophobicContact CB-CG 4.02Å; H272-F289 AromaticContact CG-CD1 3.94Å; H272-F289 AromaticContact ND1-CD1 3.71Å; Q273-F289 WeakPolarHBondContact O-CE1 3.32Å; T274-F289 HydrophobicContact CG2-CE2 4.08Å; T274-F289 HydrophobicContact CG2-CZ 4.04Å; E287-F289 HydrophobicContact CB-CE2 3.74Å; E287-F289 HydrophobicContact CB-CZ 3.71Å; F289-F291 HydrophobicContact CB-CE2 4.26Å
290L95.3Very high93.7Very high84 Ų8459.1 Ų59.144%0.4433%0.328SS..EExtended strand (participates in β ladder)trans-122.5123.3-175.3-58176.2000109V238V238-L290 HydrophobicContact CB-CD2 4.24Å; V238-L290 HydrophobicContact CG1-CD2 3.98Å; V238-L290 HydrophobicContact CG2-CD2 3.81Å
291F93.8Very high93.3Very high4 Ų459.9 Ų59.92%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-112114.4175.2-66.5-95.9000109.2Q236 L237 V239 I262 L264 H272 F289 V293 L303Q236-F291 WeakPolarHBondContact CA-O 3.36Å; L237-F291 HydrophobicContact CB-CB 4.34Å; L237-F291 PolarHBondContact N-O 2.8Å; L237-F291 PolarHBondContact O-N 3.27Å; V239-F291 HydrophobicContact CB-CD2 4.47Å; V239-F291 HydrophobicContact CB-CE2 4.19Å; V239-F291 HydrophobicContact CG2-CD2 3.82Å; V239-F291 HydrophobicContact CG2-CE2 3.85Å; I262-F291 HydrophobicContact CB-CZ 4.12Å; I262-F291 HydrophobicContact CG2-CE2 4.03Å; I262-F291 HydrophobicContact CG2-CZ 3.68Å; L264-F291 HydrophobicContact CB-CD1 3.6Å; L264-F291 HydrophobicContact CB-CE1 3.87Å; L264-F291 HydrophobicContact CB-CG 4.28Å; L264-F291 HydrophobicContact CD2-CB 3.85Å; L264-F291 HydrophobicContact CD2-CD1 4.22Å; L264-F291 HydrophobicContact CD2-CG 4.25Å; H272-F291 HydrophobicContact CB-CZ 4.35Å; H272-F291 AromaticContact CD2-CE1 3.5Å; H272-F291 AromaticContact CD2-CZ 3.52Å; F289-F291 HydrophobicContact CB-CE2 4.26Å; F291-V293 PolarHBondContact O-N 3.18Å; F291-L303 HydrophobicContact CE2-CD1 4.31Å; F291-L303 HydrophobicContact CZ-CD1 4.42Å
292P92.7Very high93.1Very high108 Ų10861.7 Ų61.770%0.70133%0.333SS*.EExtended strand (participates in β ladder)trans-70.6117.2172.828.8-32.6000109.6Q236Q236-P292 HydrophobicContact CG-CB 4.26Å
293V91.6Very high92.9Very high3 Ų358 Ų582%0.01831%0.313CS..  trans-158122.5-177.757.90000109.3Y230 E235 L237 L264 F291 D297 L298 R301Y230-V293 HydrophobicContact CE2-CG1 4.42Å; Y230-V293 WeakPolarHBondContact CE2-O 3.14Å; Y230-V293 PolarHBondContact OH-O 3.05Å; Y230-V293 VanDerWaalsContact OH-O 3.1Å; E235-V293 CarbonylContact O-C 3.51Å; E235-V293 PolarHBondContact O-N 2.88Å; E235-V293 VanDerWaalsContact O-O 3.13Å; L237-V293 HydrophobicContact CB-CG1 3.81Å; L264-V293 HydrophobicContact CD2-CB 4.03Å; L264-V293 HydrophobicContact CD2-CG1 3.93Å; L264-V293 HydrophobicContact CD2-CG2 4.3Å; F291-V293 PolarHBondContact O-N 3.18Å; V293-D297 HydrophobicContact CG2-CB 3.74Å; V293-L298 HydrophobicContact CG1-CD2 3.65Å; V293-L298 HydrophobicContact CG2-CD2 4.2Å; V293-R301 HydrophobicContact CG2-CG 4.22Å
294P92.1Very high92.6Very high56 Ų5659.1 Ų59.136%0.36432%0.318SS..  trans-60.2149175.8-24.434.8000112N296 D297P294-N296 VanDerWaalsContact C-N 3.27Å; P294-N296 PolarHBondContact O-N 2.8Å; P294-D297 WeakPolarHBondContact O-CB 3.44Å; P294-D297 PolarHBondContact O-N 2.88Å
295Y90.1Very high92.5Very high100 Ų10055.6 Ų55.639%0.39230%0.297SS..G310 helixtrans-58.6-39.8-175-175.3-96.4000112.5Y230 D297 L298 L328Y230-Y295 AromaticContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CE2 4.44Å; Y230-Y295 AromaticContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CG 4.29Å; Y230-Y295 HydrophobicContact CG-CD2 4.44Å; Y230-Y295 PolarHBondContact OH-N 2.97Å; Y295-D297 PolarHBondContact O-N 3.04Å; Y295-L298 HydrophobicContact CD2-CD1 3.7Å; Y295-L298 HydrophobicContact CE2-CD1 4.13Å; Y295-L298 HydrophobicContact CG-CD1 4.33Å; Y295-L298 WeakPolarHBondContact O-CB 3.47Å; Y295-L298 WeakPolarHBondContact O-CG 3.42Å; Y295-L298 PolarHBondContact O-N 2.71Å; Y295-L328 HydrophobicContact CE2-CD2 4.26Å
296N90.1Very high92.3Very high144 Ų14455.1 Ų55.177%0.7730%0.295SS*.G310 helixtrans-65.2-22.6178.9-59.9-22.1000113.4P294P294-N296 VanDerWaalsContact C-N 3.27Å; P294-N296 PolarHBondContact O-N 2.8Å
297D89.8Confident92.2Very high67 Ų6751.8 Ų51.836%0.35828%0.277SS..G310 helixtrans-79.3-22.8178.7-103.949.3000112.1V293 P294 Y295 E299 A300 R301V293-D297 HydrophobicContact CG2-CB 3.74Å; P294-D297 WeakPolarHBondContact O-CB 3.44Å; P294-D297 PolarHBondContact O-N 2.88Å; Y295-D297 PolarHBondContact O-N 3.04Å; D297-E299 VanDerWaalsContact C-N 3.31Å; D297-E299 PolarHBondContact O-N 2.93Å; D297-A300 PolarHBondContact O-N 2.67Å; D297-A300 VanDerWaalsContact O-N 3.1Å; D297-R301 WeakPolarHBondContact O-CG 3.36Å; D297-R301 IonicContact OD2-CZ 3.98Å; D297-R301 IonicContact OD2-NE 3.89Å; D297-R301 IonicContact OD2-NH2 2.71Å; D297-R301 PolarHBondContact OD2-NH2 3.02Å
298L88.6Confident91.9Very high0 Ų052.6 Ų52.60%028%0.28CS..G310 helixtrans-58.8-36.4-169.1-71.5173.4000113.8Y230 V293 Y295 A300 R301 L328 F333Y230-L298 HydrophobicContact CD2-CD1 3.79Å; Y230-L298 HydrophobicContact CD2-CD2 4.43Å; Y230-L298 HydrophobicContact CE2-CD1 3.92Å; Y230-L298 HydrophobicContact CE2-CD2 4.46Å; Y230-L298 HydrophobicContact CE2-CG 4.47Å; Y230-L298 HydrophobicContact CG-CD1 4.23Å; V293-L298 HydrophobicContact CG1-CD2 3.65Å; V293-L298 HydrophobicContact CG2-CD2 4.2Å; Y295-L298 HydrophobicContact CD2-CD1 3.7Å; Y295-L298 HydrophobicContact CE2-CD1 4.13Å; Y295-L298 HydrophobicContact CG-CD1 4.33Å; Y295-L298 WeakPolarHBondContact O-CB 3.47Å; Y295-L298 WeakPolarHBondContact O-CG 3.42Å; Y295-L298 PolarHBondContact O-N 2.71Å; L298-A300 PolarHBondContact O-N 3.04Å; L298-R301 PolarHBondContact O-N 3.49Å; L298-L328 HydrophobicContact CB-CD2 4.43Å; L298-L328 HydrophobicContact CD1-CD2 4.42Å; L298-F333 HydrophobicContact CD1-CE1 4.12Å; L298-F333 HydrophobicContact CD1-CZ 4.12Å
299E87.4Confident91.7Very high146 Ų14649 Ų4968%0.68226%0.257SS*.G310 helixtrans-58.3-34.3179.3-170.1-177.1177.800111.9D297 L328D297-E299 VanDerWaalsContact C-N 3.31Å; D297-E299 PolarHBondContact O-N 2.93Å; E299-L328 HydrophobicContact CB-CD1 4.04Å; E299-L328 HydrophobicContact CG-CD1 4.47Å
300A86.3Confident91.4Very high78 Ų7850.7 Ų50.765%0.64527%0.265SS*.G310 helixtrans-89.30.1179.900000114D297 L298D297-A300 PolarHBondContact O-N 2.67Å; D297-A300 VanDerWaalsContact O-N 3.1Å; L298-A300 PolarHBondContact O-N 3.04Å
301R87.8Confident90.7Very high52 Ų5249 Ų4920%0.19626%0.256CS..  trans-98.5155.9-179.4-55.8-50.5179.8124.3-2.9112.5L264 L265 V293 D297 L298 F327L264-R301 HydrophobicContact CD1-CB 3.75Å; L264-R301 HydrophobicContact CD1-CG 4.34Å; L264-R301 HydrophobicContact CD2-CG 4.46Å; L264-R301 HydrophobicContact CG-CB 4.14Å; L264-R301 HydrophobicContact CG-CG 4.25Å; L265-R301 CarbonylContact O-C 3.6Å; L265-R301 VanDerWaalsContact O-CA 3.23Å; L265-R301 WeakPolarHBondContact O-CA 3.41Å; L265-R301 WeakPolarHBondContact O-CD 3.24Å; V293-R301 HydrophobicContact CG2-CG 4.22Å; D297-R301 WeakPolarHBondContact O-CG 3.36Å; D297-R301 IonicContact OD2-CZ 3.98Å; D297-R301 IonicContact OD2-NE 3.89Å; D297-R301 IonicContact OD2-NH2 2.71Å; D297-R301 PolarHBondContact OD2-NH2 3.02Å; L298-R301 PolarHBondContact O-N 3.49Å; R301-F327 HydrophobicContact CB-CE2 4.02Å; R301-F327 VanDerWaalsContact O-CE2 3.26Å; R301-F327 WeakPolarHBondContact O-CE2 3.42Å
302K90.4Very high90.1Very high84 Ų8458.2 Ų58.237%0.36529%0.291SS..EExtended strand (participates in β ladder)trans-134.3129.8171-54.4-163.4167.5-153.20110.1L265 V323 V324 D325L265-K302 HydrophobicContact CB-CB 4.29Å; L265-K302 WeakPolarHBondContact CB-O 3.47Å; L265-K302 PolarHBondContact N-O 2.81Å; L265-K302 PolarHBondContact O-N 3.26Å; K302-V323 HydrophobicContact CB-CG1 4.47Å; K302-V324 CarbonylContact C-O 3.6Å; K302-V324 WeakPolarHBondContact CA-O 3.27Å; K302-D325 HydrophobicContact CB-CB 4.41Å; K302-D325 HydrophobicContact CD-CB 3.66Å; K302-D325 WeakPolarHBondContact CE-OD2 3.4Å; K302-D325 HydrophobicContact CG-CB 3.76Å; K302-D325 IonicContact NZ-OD2 3.88Å; K302-D325 PolarHBondContact NZ-OD2 3.05Å
303L92.8Very high88.9Confident0 Ų061.4 Ų61.40%029%0.294CS..EExtended strand (participates in β ladder)trans-91.6117.2-179.5-170.564.8000108.3L228 V239 I262 L264 F291 F305 V324 F327L228-L303 HydrophobicContact CD1-CD2 4.5Å; L228-L303 HydrophobicContact CD2-CD2 3.54Å; V239-L303 HydrophobicContact CG1-CD2 4.04Å; V239-L303 HydrophobicContact CG2-CD1 4.23Å; V239-L303 HydrophobicContact CG2-CD2 3.84Å; I262-L303 HydrophobicContact CG2-CD1 3.73Å; I262-L303 HydrophobicContact CG2-CG 4.42Å; L264-L303 HydrophobicContact CD1-CD1 4.26Å; F291-L303 HydrophobicContact CE2-CD1 4.31Å; F291-L303 HydrophobicContact CZ-CD1 4.42Å; L303-F305 HydrophobicContact CD2-CE1 4.07Å; L303-F305 HydrophobicContact CD2-CE2 3.99Å; L303-F305 HydrophobicContact CD2-CZ 3.38Å; L303-F305 HydrophobicContact CG-CE1 4.15Å; L303-F305 HydrophobicContact CG-CE2 4.09Å; L303-F305 HydrophobicContact CG-CZ 3.72Å; L303-V324 HydrophobicContact CB-CB 4.48Å; L303-V324 PolarHBondContact N-O 3.4Å; L303-V324 PolarHBondContact O-N 2.92Å; L303-F327 HydrophobicContact CB-CE1 3.54Å; L303-F327 HydrophobicContact CB-CZ 3.86Å
304H92.1Very high87.5Confident26 Ų2664.9 Ų64.912%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-112.8118.6-174.5-172.9-82.2000109.9I262 Y263 L265 S306 Q321I262-H304 WeakPolarHBondContact CA-O 3.33Å; Y263-H304 AromaticContact CD2-ND1 3.97Å; Y263-H304 PolarHBondContact N-O 3.26Å; Y263-H304 PolarHBondContact O-N 3.13Å; L265-H304 HydrophobicContact CD1-CB 3.77Å; L265-H304 HydrophobicContact CG-CB 4Å; H304-S306 PolarHBondContact CE1-OG 3.35Å; H304-S306 PolarHBondContact ND1-OG 3.06Å; H304-Q321 VanDerWaalsContact CE1-CD 3.49Å; H304-Q321 PolarHBondContact CE1-OE1 2.94Å; H304-Q321 VanDerWaalsContact CE1-OE1 3.26Å; H304-Q321 PolarHBondContact NE2-OE1 3.01Å
305F94.8Very high86.4Confident0 Ų070.3 Ų70.30%033%0.331CS..EExtended strand (participates in β ladder)trans-103.1130.3172.6-51.6-77.6000109.2L224 F226 V239 I241 V260 K261 I262 L303 Q321 V322 V324L224-F305 HydrophobicContact CD2-CB 3.91Å; L224-F305 HydrophobicContact CD2-CD1 4.3Å; L224-F305 HydrophobicContact CD2-CD2 4.16Å; L224-F305 HydrophobicContact CD2-CG 3.87Å; F226-F305 HydrophobicContact CD1-CE2 4.26Å; F226-F305 HydrophobicContact CD1-CZ 4.43Å; F226-F305 AromaticContact CD2-CE2 3.87Å; F226-F305 HydrophobicContact CD2-CE2 3.87Å; F226-F305 AromaticContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CE1-CE2 4.02Å; F226-F305 AromaticContact CE2-CE2 3.58Å; F226-F305 HydrophobicContact CE2-CE2 3.58Å; F226-F305 AromaticContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CG-CE2 4.2Å; F226-F305 AromaticContact CG-CZ 3.96Å; F226-F305 HydrophobicContact CG-CZ 3.96Å; F226-F305 AromaticContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CZ 4.27Å; V239-F305 HydrophobicContact CG1-CE1 3.88Å; V239-F305 HydrophobicContact CG1-CZ 4.12Å; I241-F305 HydrophobicContact CD1-CD1 3.88Å; I241-F305 HydrophobicContact CD1-CE1 3.51Å; I241-F305 HydrophobicContact CD1-CZ 4.38Å; V260-F305 HydrophobicContact CG1-CB 4.08Å; V260-F305 HydrophobicContact CG1-CD1 4.31Å; K261-F305 WeakPolarHBondContact O-CA 3.49Å; I262-F305 HydrophobicContact CB-CD1 4.41Å; I262-F305 HydrophobicContact CD1-CE1 4.49Å; I262-F305 HydrophobicContact CG1-CD1 4.09Å; I262-F305 HydrophobicContact CG1-CE1 4.41Å; I262-F305 HydrophobicContact CG2-CD1 3.82Å; I262-F305 HydrophobicContact CG2-CE1 3.73Å; L303-F305 HydrophobicContact CD2-CE1 4.07Å; L303-F305 HydrophobicContact CD2-CE2 3.99Å; L303-F305 HydrophobicContact CD2-CZ 3.38Å; L303-F305 HydrophobicContact CG-CE1 4.15Å; L303-F305 HydrophobicContact CG-CE2 4.09Å; L303-F305 HydrophobicContact CG-CZ 3.72Å; F305-Q321 CarbonylContact O-C 3.58Å; F305-Q321 VanDerWaalsContact O-CA 3.27Å; F305-Q321 WeakPolarHBondContact O-CA 3.42Å; F305-V322 HydrophobicContact CB-CB 4.19Å; F305-V322 HydrophobicContact CD2-CB 3.96Å; F305-V322 HydrophobicContact CD2-CG1 3.95Å; F305-V322 PolarHBondContact N-O 3.35Å; F305-V322 PolarHBondContact O-N 3.46Å; F305-V324 HydrophobicContact CE2-CG2 4.13Å
306S92.9Very high86Confident4 Ų469 Ų693%0.02833%0.329CS..EExtended strand (participates in β ladder)trans-116.4114.4170.4-59.70000109.3V260 K261 H304 Y308V260-S306 WeakPolarHBondContact CA-O 3.41Å; K261-S306 PolarHBondContact N-O 2.85Å; K261-S306 PolarHBondContact O-N 2.91Å; H304-S306 PolarHBondContact CE1-OG 3.35Å; H304-S306 PolarHBondContact ND1-OG 3.06Å; S306-Y308 VanDerWaalsContact CB-CE2 3.48Å
307V95.2Very high85.6Confident0 Ų065.7 Ų65.70%031%0.311CS..EExtended strand (participates in β ladder)trans-90.1125.1177.5-170.70000108.2L247 V260 L318 I319 G320 I343L247-V307 HydrophobicContact CD1-CG1 4.38Å; L247-V307 HydrophobicContact CD2-CG1 4.3Å; V260-V307 HydrophobicContact CG2-CG2 4.3Å; V307-L318 WeakPolarHBondContact O-CD1 3.38Å; V307-I319 HydrophobicContact CB-CB 4.31Å; V307-I319 HydrophobicContact CB-CG2 4.45Å; V307-I319 HydrophobicContact CG1-CB 4.15Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG2 4.2Å; V307-I319 WeakPolarHBondContact O-CB 3.38Å; V307-I319 PolarHBondContact O-N 2.92Å; V307-G320 PolarHBondContact N-O 2.94Å; V307-G320 PolarHBondContact O-N 3.38Å; V307-I343 HydrophobicContact CG2-CD1 4.07Å; V307-I343 HydrophobicContact CG2-CG1 4.39Å; V307-I343 HydrophobicContact CG2-CG2 4.43Å
308Y93.4Very high85.4Confident44 Ų4463.4 Ų63.417%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-125.4151.6-177.4-77.9-84.9000110.7P258 Y259 K261 S306 H316 D317 L318P258-Y308 VanDerWaalsContact CA-O 3.3Å; P258-Y308 WeakPolarHBondContact CA-O 3.34Å; Y259-Y308 HydrophobicContact CE1-CG 4.26Å; Y259-Y308 HydrophobicContact CE2-CD2 4.4Å; Y259-Y308 AromaticContact CZ-CG 3.9Å; Y259-Y308 PolarHBondContact N-O 2.88Å; Y259-Y308 PolarHBondContact O-N 3.04Å; Y259-Y308 WeakPolarHBondContact OH-CB 3.38Å; K261-Y308 HydrophobicContact CD-CD2 4Å; K261-Y308 HydrophobicContact CD-CE2 3.65Å; K261-Y308 HydrophobicContact CG-CD2 4.18Å; K261-Y308 HydrophobicContact CG-CE2 4.22Å; S306-Y308 VanDerWaalsContact CB-CE2 3.48Å; Y308-H316 HydrophobicContact CD1-CB 4.33Å; Y308-D317 WeakPolarHBondContact CA-O 3.15Å; Y308-L318 HydrophobicContact CD1-CB 4.25Å; Y308-L318 HydrophobicContact CD1-CD1 4.1Å; Y308-L318 HydrophobicContact CD2-CD1 4.39Å; Y308-L318 HydrophobicContact CE1-CB 3.99Å; Y308-L318 HydrophobicContact CE1-CD1 3.75Å; Y308-L318 HydrophobicContact CE1-CG 4.48Å; Y308-L318 HydrophobicContact CE2-CD1 4.07Å; Y308-L318 HydrophobicContact CG-CD1 4.4Å
309D92.8Very high85.6Confident8 Ų863.4 Ų63.44%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-83.4140.4157.5-155-13.8000110K250 S256 D257 H316 D317 I319K250-D309 HydrophobicContact CB-CB 4.35Å; K250-D309 WeakPolarHBondContact CB-OD2 3.43Å; K250-D309 HydrophobicContact CG-CB 4.33Å; S256-D309 WeakPolarHBondContact CA-OD2 3.39Å; S256-D309 VanDerWaalsContact CB-CG 3.48Å; S256-D309 WeakPolarHBondContact CB-OD2 3.41Å; S256-D309 PolarHBondContact OG-OD2 2.89Å; D257-D309 WeakPolarHBondContact CA-OD1 3.25Å; D257-D309 PolarHBondContact N-OD1 2.84Å; D309-H316 WeakPolarHBondContact O-CA 3.41Å; D309-H316 VanDerWaalsContact O-CB 3.27Å; D309-H316 WeakPolarHBondContact O-CB 3.16Å; D309-D317 HydrophobicContact CB-CB 4.19Å; D309-D317 PolarHBondContact N-O 2.79Å; D309-D317 PolarHBondContact O-N 3.37Å; D309-I319 HydrophobicContact CB-CD1 4.23Å; D309-I319 HydrophobicContact CB-CG1 4.47Å
310F90.6Very high85.7Confident56 Ų5656.5 Ų56.525%0.24627%0.267CS..  trans-90.2126.6173.6173.2-89.9000110D257 Y259 V276 R312 H316D257-F310 HydrophobicContact CB-CB 4.01Å; D257-F310 VanDerWaalsContact O-CB 3.26Å; D257-F310 WeakPolarHBondContact O-CB 3.19Å; D257-F310 PolarHBondContact O-N 2.89Å; Y259-F310 HydrophobicContact CD1-CB 3.9Å; Y259-F310 HydrophobicContact CE1-CB 4.06Å; V276-F310 HydrophobicContact CB-CB 4.35Å; V276-F310 HydrophobicContact CB-CG 4.47Å; V276-F310 HydrophobicContact CG1-CB 3.52Å; V276-F310 HydrophobicContact CG1-CD1 4.05Å; V276-F310 HydrophobicContact CG1-CG 3.79Å; V276-F310 HydrophobicContact CG2-CB 3.82Å; V276-F310 HydrophobicContact CG2-CD2 3.86Å; V276-F310 HydrophobicContact CG2-CG 3.86Å; F310-R312 HydrophobicContact CE1-CB 4.31Å; F310-H316 AromaticContact CD2-CE1 3.4Å; F310-H316 WeakPolarHBondContact CD2-CE1 3.29Å; F310-H316 AromaticContact CD2-NE2 3.5Å; F310-H316 WeakPolarHBondContact CD2-NE2 3.44Å; F310-H316 AromaticContact CE2-CE1 3.62Å; F310-H316 AromaticContact CE2-NE2 3.49Å; F310-H316 WeakPolarHBondContact CE2-NE2 3.15Å
311D80.1Confident86Confident49 Ų4954.1 Ų54.126%0.26224%0.242SC..  trans-124.3129.8-179-161.4-30.9000110.2F313 S314 H316D311-F313 PolarHBondContact OD1-N 2.91Å; D311-S314 VanDerWaalsContact CG-CB 3.43Å; D311-S314 PolarHBondContact OD1-N 3.29Å; D311-S314 PolarHBondContact OD1-OG 2.88Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-OG 3.04Å; D311-H316 PolarHBondContact N-CD2 2.94Å; D311-H316 PolarHBondContact O-CD2 2.9Å; D311-H316 PolarHBondContact O-NE2 3.49Å
312R80.5Confident86.3Confident197 Ų19751.9 Ų51.974%0.74323%0.234SC*.SBendtrans-79.1-27.8-174.2-176.2174.2178.6-171.8-0.2112.9F310F310-R312 HydrophobicContact CE1-CB 4.31Å
313F67.3Low86.4Confident176 Ų17650.7 Ų50.777%0.77223%0.234SC*.SBendtrans-128.2-2.9-171.3-57.1-66.2000113.4D311D311-F313 PolarHBondContact OD1-N 2.91Å
314S63.6Low86.3Confident75 Ų7550.9 Ų50.952%0.52424%0.235SC..SBendtrans-121.5-178.8175.2-22.90000111.2D311D311-S314 VanDerWaalsContact CG-CB 3.43Å; D311-S314 PolarHBondContact OD1-N 3.29Å; D311-S314 PolarHBondContact OD1-OG 2.88Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-OG 3.04Å
315R68.3Low86.1Confident170 Ų17052.5 Ų52.564%0.64225%0.245SC*.PPolyproline II helixtrans-73.8136.9167.3-68.5176.9172.4-172.7-5.4109.3D317 E451R315-D317 PolarHBondContact O-N 2.83Å; R315-E451 IonicContact CZ-OE1 2.69Å; R315-E451 IonicContact NH2-OE1 3.19Å; R315-E451 PolarHBondContact NH2-OE1 3.27Å; R315-E451 IonicContact NH2-OE2 2.77Å; R315-E451 PolarHBondContact NH2-OE2 3.49Å
316H81.7Confident85.5Confident73 Ų7357.3 Ų57.334%0.33827%0.267SS..PPolyproline II helixtrans-59.3123.6179.5-64.4-176.5000111.2Y259 Y308 D309 F310 D311Y259-H316 HydrophobicContact CE1-CB 4.43Å; Y259-H316 AromaticContact CE1-ND1 3.7Å; Y259-H316 AromaticContact CZ-ND1 3.52Å; Y259-H316 PolarHBondContact OH-ND1 3.26Å; Y308-H316 HydrophobicContact CD1-CB 4.33Å; D309-H316 WeakPolarHBondContact O-CA 3.41Å; D309-H316 VanDerWaalsContact O-CB 3.27Å; D309-H316 WeakPolarHBondContact O-CB 3.16Å; F310-H316 AromaticContact CD2-CE1 3.4Å; F310-H316 WeakPolarHBondContact CD2-CE1 3.29Å; F310-H316 AromaticContact CD2-NE2 3.5Å; F310-H316 WeakPolarHBondContact CD2-NE2 3.44Å; F310-H316 AromaticContact CE2-CE1 3.62Å; F310-H316 AromaticContact CE2-NE2 3.49Å; F310-H316 WeakPolarHBondContact CE2-NE2 3.15Å; D311-H316 PolarHBondContact N-CD2 2.94Å; D311-H316 PolarHBondContact O-CD2 2.9Å; D311-H316 PolarHBondContact O-NE2 3.49Å
317D81.1Confident85Confident75 Ų7557.1 Ų57.140%0.40127%0.266SS..PPolyproline II helixtrans-84.4126.3-166.8-150.941.4000111.1K250 Y308 D309 R315 I319K250-D317 HydrophobicContact CB-CB 4.44Å; K250-D317 WeakPolarHBondContact CD-OD2 2.91Å; K250-D317 HydrophobicContact CG-CB 4.45Å; K250-D317 WeakPolarHBondContact CG-OD2 3.39Å; K250-D317 IonicContact NZ-OD2 3.81Å; K250-D317 PolarHBondContact NZ-OD2 3.04Å; Y308-D317 WeakPolarHBondContact CA-O 3.15Å; D309-D317 HydrophobicContact CB-CB 4.19Å; D309-D317 PolarHBondContact N-O 2.79Å; D309-D317 PolarHBondContact O-N 3.37Å; R315-D317 PolarHBondContact O-N 2.83Å; D317-I319 PolarHBondContact O-N 3.31Å
318L87Confident84.4Confident18 Ų1860 Ų609%0.09428%0.281CS..EExtended strand (participates in β ladder)trans-70.6122179.7-176.569.3000109.5K250 V307 Y308 Q321 V346K250-L318 PolarHBondContact NZ-O 2.86Å; V307-L318 WeakPolarHBondContact O-CD1 3.38Å; Y308-L318 HydrophobicContact CD1-CB 4.25Å; Y308-L318 HydrophobicContact CD1-CD1 4.1Å; Y308-L318 HydrophobicContact CD2-CD1 4.39Å; Y308-L318 HydrophobicContact CE1-CB 3.99Å; Y308-L318 HydrophobicContact CE1-CD1 3.75Å; Y308-L318 HydrophobicContact CE1-CG 4.48Å; Y308-L318 HydrophobicContact CE2-CD1 4.07Å; Y308-L318 HydrophobicContact CG-CD1 4.4Å; L318-Q321 HydrophobicContact CD1-CG 4.43Å; L318-V346 HydrophobicContact CD2-CB 4.3Å; L318-V346 HydrophobicContact CD2-CG1 4.5Å
319I91.1Very high84Confident1 Ų164.2 Ų64.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-81.9-46.7173.4-72.9170.9000109.6C221 L247 P248 K250 P258 V307 D309 D317C221-I319 HydrophobicContact CB-CG2 4.21Å; C221-I319 PolarHBondContact SG-O 2.72Å; L247-I319 HydrophobicContact CD1-CD1 4.43Å; L247-I319 HydrophobicContact CD2-CG2 4.28Å; P248-I319 HydrophobicContact CG-CG2 3.8Å; K250-I319 HydrophobicContact CG-CG1 4.16Å; P258-I319 HydrophobicContact CB-CD1 4.47Å; V307-I319 HydrophobicContact CB-CB 4.31Å; V307-I319 HydrophobicContact CB-CG2 4.45Å; V307-I319 HydrophobicContact CG1-CB 4.15Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG2 4.2Å; V307-I319 WeakPolarHBondContact O-CB 3.38Å; V307-I319 PolarHBondContact O-N 2.92Å; D309-I319 HydrophobicContact CB-CD1 4.23Å; D309-I319 HydrophobicContact CB-CG1 4.47Å; D317-I319 PolarHBondContact O-N 3.31Å
320G91Very high83.6Confident0 Ų065.6 Ų65.60%031%0.313CS..EExtended strand (participates in β ladder)trans169.1-172176.900000112.2V307 E344V307-G320 PolarHBondContact N-O 2.94Å; V307-G320 PolarHBondContact O-N 3.38Å; G320-E344 CarbonylContact C-O 3.57Å; G320-E344 WeakPolarHBondContact CA-O 2.92Å
321Q91.9Very high83Confident29 Ų2967.9 Ų67.914%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-130.4159.1-176.8-59.1-179.16.200111.6H304 F305 L318 E344 V346H304-Q321 VanDerWaalsContact CE1-CD 3.49Å; H304-Q321 PolarHBondContact CE1-OE1 2.94Å; H304-Q321 VanDerWaalsContact CE1-OE1 3.26Å; H304-Q321 PolarHBondContact NE2-OE1 3.01Å; F305-Q321 CarbonylContact O-C 3.58Å; F305-Q321 VanDerWaalsContact O-CA 3.27Å; F305-Q321 WeakPolarHBondContact O-CA 3.42Å; L318-Q321 HydrophobicContact CD1-CG 4.43Å; Q321-E344 PolarHBondContact N-O 3.3Å; Q321-E344 PolarHBondContact O-N 3.08Å; Q321-V346 HydrophobicContact CB-CG2 3.84Å; Q321-V346 HydrophobicContact CG-CB 4.19Å; Q321-V346 HydrophobicContact CG-CG2 3.83Å
322V93.4Very high83.2Confident4 Ų470.5 Ų70.52%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-134.9129.7167.61750000107.4L224 F226 F305 K341 I343L224-V322 HydrophobicContact CB-CG2 4.21Å; L224-V322 HydrophobicContact CD2-CG2 4.39Å; F226-V322 HydrophobicContact CE1-CG1 4.39Å; F305-V322 HydrophobicContact CB-CB 4.19Å; F305-V322 HydrophobicContact CD2-CB 3.96Å; F305-V322 HydrophobicContact CD2-CG1 3.95Å; F305-V322 PolarHBondContact N-O 3.35Å; F305-V322 PolarHBondContact O-N 3.46Å; V322-K341 HydrophobicContact CG1-CB 3.49Å; V322-K341 VanDerWaalsContact CG1-CB 3.49Å; V322-K341 HydrophobicContact CG1-CG 3.8Å; V322-K341 HydrophobicContact CG2-CB 4.31Å; V322-I343 HydrophobicContact CG2-CB 4.39Å; V322-I343 HydrophobicContact CG2-CG1 3.9Å
323V92.2Very high83.5Confident60 Ų6062.2 Ų62.236%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-112.5137.4173.6-168.40000109.3K302K302-V323 HydrophobicContact CB-CG1 4.47Å
324V90.9Very high84.3Confident3 Ų356.1 Ų56.12%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-124.2121.8166.4-172.10000107.9F226 K302 L303 F305 F327F226-V324 HydrophobicContact CE2-CG2 3.94Å; F226-V324 HydrophobicContact CZ-CG2 3.6Å; K302-V324 CarbonylContact C-O 3.6Å; K302-V324 WeakPolarHBondContact CA-O 3.27Å; L303-V324 HydrophobicContact CB-CB 4.48Å; L303-V324 PolarHBondContact N-O 3.4Å; L303-V324 PolarHBondContact O-N 2.92Å; F305-V324 HydrophobicContact CE2-CG2 4.13Å; V324-F327 HydrophobicContact CB-CD1 4.39Å; V324-F327 HydrophobicContact CB-CE1 4.08Å; V324-F327 HydrophobicContact CG1-CD1 3.74Å; V324-F327 HydrophobicContact CG1-CE1 3.94Å; V324-F327 VanDerWaalsContact O-CE1 3.22Å; V324-F327 WeakPolarHBondContact O-CE1 3.36Å
325D88.4Confident85.5Confident61 Ų6162.3 Ų62.333%0.32632%0.316SS..  trans-116.6176.1166.442.918.9000109.9K302 F327K302-D325 HydrophobicContact CB-CB 4.41Å; K302-D325 HydrophobicContact CD-CB 3.66Å; K302-D325 WeakPolarHBondContact CE-OD2 3.4Å; K302-D325 HydrophobicContact CG-CB 3.76Å; K302-D325 IonicContact NZ-OD2 3.88Å; K302-D325 PolarHBondContact NZ-OD2 3.05Å; D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.42Å
326H83.1Confident86.6Confident100 Ų10060.3 Ų60.346%0.46331%0.313SS..  trans5245.2175-55.3-77.2000113.5L328 D329H326-L328 PolarHBondContact O-N 3.36Å; H326-D329 WeakPolarHBondContact O-CB 3.19Å; H326-D329 PolarHBondContact O-N 3.01Å
327F80.8Confident87.1Confident1 Ų156.9 Ų56.90%0.00430%0.298CS..G310 helixtrans-55.9-28.3-176-36.7-78.3000113.6L228 L264 R301 L303 V324 D325 D329 L330 F333L228-F327 HydrophobicContact CD1-CD1 4.27Å; L264-F327 HydrophobicContact CD1-CZ 4.38Å; R301-F327 HydrophobicContact CB-CE2 4.02Å; R301-F327 VanDerWaalsContact O-CE2 3.26Å; R301-F327 WeakPolarHBondContact O-CE2 3.42Å; L303-F327 HydrophobicContact CB-CE1 3.54Å; L303-F327 HydrophobicContact CB-CZ 3.86Å; V324-F327 HydrophobicContact CB-CD1 4.39Å; V324-F327 HydrophobicContact CB-CE1 4.08Å; V324-F327 HydrophobicContact CG1-CD1 3.74Å; V324-F327 HydrophobicContact CG1-CE1 3.94Å; V324-F327 VanDerWaalsContact O-CE1 3.22Å; V324-F327 WeakPolarHBondContact O-CE1 3.36Å; D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.42Å; F327-D329 PolarHBondContact O-N 3.47Å; F327-L330 HydrophobicContact CB-CD1 4.32Å; F327-L330 VanDerWaalsContact O-CB 3.32Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.5Å; F327-L330 PolarHBondContact O-N 3.33Å; F327-F333 HydrophobicContact CB-CE1 4.4Å; F327-F333 HydrophobicContact CB-CE2 4.35Å; F327-F333 HydrophobicContact CB-CZ 4.26Å; F327-F333 WeakPolarHBondContact O-CB 3.35Å; F327-F333 WeakPolarHBondContact O-CG 3.3Å
328L83.8Confident87.7Confident60 Ų6058.4 Ų58.431%0.31431%0.305SS..G310 helixtrans-65.3-23.1179.3-54.2-179.6000112.6Y295 L298 E299 H326 L330 F333Y295-L328 HydrophobicContact CE2-CD2 4.26Å; L298-L328 HydrophobicContact CB-CD2 4.43Å; L298-L328 HydrophobicContact CD1-CD2 4.42Å; E299-L328 HydrophobicContact CB-CD1 4.04Å; E299-L328 HydrophobicContact CG-CD1 4.47Å; H326-L328 PolarHBondContact O-N 3.36Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-F333 HydrophobicContact CD2-CD1 4.04Å; L328-F333 HydrophobicContact CD2-CE1 3.76Å
329D83.9Confident88.1Confident132 Ų13258.9 Ų58.971%0.70631%0.308SS*.G310 helixtrans-87.2-2.3179.6-59.8-17.7000112.6H326 F327H326-D329 WeakPolarHBondContact O-CB 3.19Å; H326-D329 PolarHBondContact O-N 3.01Å; F327-D329 PolarHBondContact O-N 3.47Å
330L85.2Confident88.2Confident38 Ų3864.8 Ų64.820%0.19933%0.33CS..SBendtrans-77.8123.8177.3-60.3171.8000109.9L228 F327 L328 D332 F333 L339L228-L330 HydrophobicContact CD1-CD1 4.12Å; F327-L330 HydrophobicContact CB-CD1 4.32Å; F327-L330 VanDerWaalsContact O-CB 3.32Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.5Å; F327-L330 PolarHBondContact O-N 3.33Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L330-D332 PolarHBondContact O-N 3.04Å; L330-F333 HydrophobicContact CB-CB 4.04Å; L330-F333 WeakPolarHBondContact O-CB 3.15Å; L330-F333 PolarHBondContact O-N 3.37Å; L330-L339 HydrophobicContact CD1-CD1 3.94Å; L330-L339 HydrophobicContact CD2-CD2 4.25Å
331A78Confident88.4Confident103 Ų10368.7 Ų68.785%0.85135%0.347SS*.THydrogen-bonded Turntrans-53.8-28.9-167.100000116.7
332D84.8Confident88.6Confident105 Ų10571.9 Ų71.956%0.56137%0.365SS*.THydrogen-bonded Turntrans-98.4-6179.5-62.7-64.9000113.8L330 R335 C337L330-D332 PolarHBondContact O-N 3.04Å; D332-R335 CarbonylContact O-C 3.54Å; D332-R335 VanDerWaalsContact O-CA 3.29Å; D332-R335 WeakPolarHBondContact O-CA 3.42Å; D332-R335 WeakPolarHBondContact O-CB 3.49Å; D332-R335 PolarHBondContact O-N 3.03Å; D332-C337 HydrophobicContact CB-CB 4.45Å
333F86.8Confident88.6Confident23 Ų2372 Ų7210%0.10137%0.365CS..THydrogen-bonded Turntrans-75.8143.6-175.1-163.8-95.9000110.4Y230 L237 L298 F327 L328 L330 C337Y230-F333 HydrophobicContact CG-CZ 4.49Å; L237-F333 HydrophobicContact CD1-CE2 3.98Å; L237-F333 HydrophobicContact CD1-CZ 4.13Å; L298-F333 HydrophobicContact CD1-CE1 4.12Å; L298-F333 HydrophobicContact CD1-CZ 4.12Å; F327-F333 HydrophobicContact CB-CE1 4.4Å; F327-F333 HydrophobicContact CB-CE2 4.35Å; F327-F333 HydrophobicContact CB-CZ 4.26Å; F327-F333 WeakPolarHBondContact O-CB 3.35Å; F327-F333 WeakPolarHBondContact O-CG 3.3Å; L328-F333 HydrophobicContact CD2-CD1 4.04Å; L328-F333 HydrophobicContact CD2-CE1 3.76Å; L330-F333 HydrophobicContact CB-CB 4.04Å; L330-F333 WeakPolarHBondContact O-CB 3.15Å; L330-F333 PolarHBondContact O-N 3.37Å; F333-C337 WeakPolarHBondContact CA-SG 3.35Å; F333-C337 PolarHBondContact N-SG 3.44Å
334P83.8Confident88.6Confident47 Ų4775.3 Ų75.331%0.30538%0.377SS..THydrogen-bonded Turncis-81.18.65.432-36.6000116.7Y230Y230-P334 PolarHBondContact N-O 2.8Å
335R88.8Confident88.1Confident206 Ų20680 Ų8078%0.77740%0.395SS*.SBendtrans-77-167.5177.4-48.3179.6173.4-174.3-2.3110.7L228 D332 C337L228-R335 VanDerWaalsContact O-O 3.07Å; D332-R335 CarbonylContact O-C 3.54Å; D332-R335 VanDerWaalsContact O-CA 3.29Å; D332-R335 WeakPolarHBondContact O-CA 3.42Å; D332-R335 WeakPolarHBondContact O-CB 3.49Å; D332-R335 PolarHBondContact O-N 3.03Å; R335-C337 PolarHBondContact O-N 2.96Å; R335-C337 VanDerWaalsContact O-N 3.08Å; R335-C337 PolarHBondContact O-SG 3.05Å
336E90.9Very high87.2Confident127 Ų12777.9 Ų77.959%0.59338%0.384SS*.  trans-75.492.4-174.2-167.1174-173.200112.3I227 L228I227-E336 HydrophobicContact CG2-CG 3.28Å; L228-E336 CarbonylContact O-C 3.51Å; L228-E336 WeakPolarHBondContact O-CA 3.44Å
337C92.3Very high85.9Confident2 Ų276 Ų761%0.01438%0.38CS..EExtended strand (participates in β ladder)trans-84.3112.8177-520000111.1I227 L228 D332 F333 R335 L339I227-C337 VanDerWaalsContact CA-O 3.27Å; I227-C337 WeakPolarHBondContact CA-O 3.34Å; L228-C337 HydrophobicContact CB-CB 4.39Å; L228-C337 PolarHBondContact N-O 2.9Å; L228-C337 PolarHBondContact O-N 3.48Å; D332-C337 HydrophobicContact CB-CB 4.45Å; F333-C337 WeakPolarHBondContact CA-SG 3.35Å; F333-C337 PolarHBondContact N-SG 3.44Å; R335-C337 PolarHBondContact O-N 2.96Å; R335-C337 VanDerWaalsContact O-N 3.08Å; R335-C337 PolarHBondContact O-SG 3.05Å; C337-L339 HydrophobicContact CB-CG 4.41Å
338I94.3Very high84.6Confident107 Ų10779.4 Ų79.455%0.54940%0.398SS..EExtended strand (participates in β ladder)trans-89.4111.8173.6-53.6-179.8000109.6I227I227-I338 HydrophobicContact CD1-CG1 4.14Å; I227-I338 HydrophobicContact CG1-CG1 4.15Å; I227-I338 HydrophobicContact CG1-CG2 4.36Å; I227-I338 HydrophobicContact CG2-CG1 4.38Å
339L93.8Very high82.9Confident28 Ų2880.8 Ų80.815%0.14741%0.405CS..EExtended strand (participates in β ladder)trans-112.2138-173.2-64.5176.7000112.7N225 F226 L228 L330 C337N225-L339 WeakPolarHBondContact CA-O 3.36Å; N225-L339 PolarHBondContact ND2-O 3.38Å; F226-L339 HydrophobicContact CD2-CB 4.35Å; F226-L339 HydrophobicContact CD2-CD1 4.41Å; F226-L339 HydrophobicContact CE1-CB 4.15Å; F226-L339 HydrophobicContact CE2-CB 3.89Å; F226-L339 HydrophobicContact CE2-CD1 3.55Å; F226-L339 HydrophobicContact CE2-CG 4.33Å; F226-L339 HydrophobicContact CZ-CB 3.76Å; F226-L339 HydrophobicContact CZ-CD1 3.88Å; F226-L339 PolarHBondContact N-O 2.93Å; F226-L339 PolarHBondContact O-N 3.29Å; L228-L339 HydrophobicContact CD1-CD1 3.73Å; L228-L339 HydrophobicContact CG-CD1 4.12Å; L330-L339 HydrophobicContact CD1-CD1 3.94Å; L330-L339 HydrophobicContact CD2-CD2 4.25Å; C337-L339 HydrophobicContact CB-CG 4.41Å
340W95.1Very high81.4Confident124 Ų12480.1 Ų80.147%0.4740%0.402SS..EExtended strand (participates in β ladder)trans-112.2129.6163.1-76.490.9000108.8K223 N225 K243 V245K223-W340 HydrophobicContact CB-CE3 3.87Å; K223-W340 HydrophobicContact CB-CZ3 4.11Å; K223-W340 HydrophobicContact CD-CE3 4.36Å; N225-W340 HydrophobicContact CB-CD2 3.69Å; N225-W340 HydrophobicContact CB-CE3 3.69Å; N225-W340 HydrophobicContact CB-CG 4.43Å; N225-W340 HydrophobicContact CB-CH2 3.68Å; N225-W340 HydrophobicContact CB-CZ2 3.67Å; N225-W340 HydrophobicContact CB-CZ3 3.68Å; N225-W340 PolarHBondContact ND2-NE1 3.22Å; K243-W340 HydrophobicContact CG-CH2 4.43Å; V245-W340 HydrophobicContact CG1-CH2 4.03Å; V245-W340 HydrophobicContact CG1-CZ3 4.21Å; V245-W340 HydrophobicContact CG2-CH2 4.33Å; V245-W340 HydrophobicContact CG2-CZ3 3.77Å
341K94.8Very high80.3Confident82 Ų8280 Ų8036%0.35740%0.403SS..EExtended strand (participates in β ladder)trans-131.3140.1172.7-70.1-77.2-173.6162.70109.5K223 L224 F226 V322K223-K341 CarbonylContact C-O 3.59Å; K223-K341 VanDerWaalsContact CA-O 3.3Å; K223-K341 WeakPolarHBondContact CA-O 3.45Å; L224-K341 PolarHBondContact N-O 2.87Å; L224-K341 PolarHBondContact O-N 2.86Å; F226-K341 HydrophobicContact CE1-CB 4.17Å; F226-K341 HydrophobicContact CE1-CG 3.93Å; F226-K341 HydrophobicContact CZ-CG 3.97Å; V322-K341 HydrophobicContact CG1-CB 3.49Å; V322-K341 VanDerWaalsContact CG1-CB 3.49Å; V322-K341 HydrophobicContact CG1-CG 3.8Å; V322-K341 HydrophobicContact CG2-CB 4.31Å
342D94.9Very high80Confident96 Ų9678.1 Ų78.151%0.51338%0.378SS..EExtended strand (participates in β ladder)trans-65.3140166.8-73.7-87.7000110.1K223K223-D342 IonicContact NZ-OD1 2.99Å; K223-D342 PolarHBondContact NZ-OD1 3.24Å; K223-D342 IonicContact NZ-OD2 3.23Å; K223-D342 PolarHBondContact NZ-OD2 3.45Å
343I95Very high80.2Confident6 Ų673.2 Ų73.23%0.03135%0.352CS..  trans-85115.9176.5-63.1164.5000107.2C221 G222 L224 L247 V307 V322C221-I343 HydrophobicContact CB-CB 4.1Å; C221-I343 HydrophobicContact CB-CG2 3.78Å; C221-I343 WeakPolarHBondContact O-CD1 3.31Å; G222-I343 PolarHBondContact O-N 3.4Å; L224-I343 HydrophobicContact CB-CD1 4.2Å; L224-I343 HydrophobicContact CB-CG1 4.04Å; L247-I343 HydrophobicContact CD2-CD1 3.43Å; L247-I343 VanDerWaalsContact CD2-CD1 3.43Å; V307-I343 HydrophobicContact CG2-CD1 4.07Å; V307-I343 HydrophobicContact CG2-CG1 4.39Å; V307-I343 HydrophobicContact CG2-CG2 4.43Å; V322-I343 HydrophobicContact CG2-CB 4.39Å; V322-I343 HydrophobicContact CG2-CG1 3.9Å
344E90.4Very high80.3Confident130 Ų13072.1 Ų72.161%0.60735%0.347SS*.BIsolated β-bridgetrans-77.4129.7-179.2-64.3-174.6172.800110.2G320 Q321 V346G320-E344 CarbonylContact C-O 3.57Å; G320-E344 WeakPolarHBondContact CA-O 2.92Å; Q321-E344 PolarHBondContact N-O 3.3Å; Q321-E344 PolarHBondContact O-N 3.08Å; E344-V346 PolarHBondContact O-N 3.28Å
345Y82.4Confident80.7Confident101 Ų10171.8 Ų71.840%0.39634%0.342SS..  trans-7398.9173-177.4-107000109.9K219 C221 T347K219-Y345 HydrophobicContact CB-CG 4.21Å; K219-Y345 HydrophobicContact CD-CD1 4.38Å; K219-Y345 HydrophobicContact CD-CE1 4.28Å; C221-Y345 VanDerWaalsContact SG-CD2 3.54Å; Y345-T347 HydrophobicContact CD1-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.63Å
346V68.3Low81.2Confident17 Ų1762 Ų6210%0.10331%0.305CS..  trans-90.6115.5175.8178.20000109L318 Q321 E344 N350L318-V346 HydrophobicContact CD2-CB 4.3Å; L318-V346 HydrophobicContact CD2-CG1 4.5Å; Q321-V346 HydrophobicContact CB-CG2 3.84Å; Q321-V346 HydrophobicContact CG-CB 4.19Å; Q321-V346 HydrophobicContact CG-CG2 3.83Å; E344-V346 PolarHBondContact O-N 3.28Å; V346-N350 HydrophobicContact CG1-CB 3.66Å
347T56.6Low81.5Confident61 Ų6157.8 Ų57.837%0.37429%0.286SS..  trans-68.2151.8165.857.70000109.8Y345 D349 N350Y345-T347 HydrophobicContact CD1-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.63Å; T347-D349 WeakPolarHBondContact CB-OD2 3.31Å; T347-D349 PolarHBondContact O-N 2.04Å; T347-D349 PolarHBondContact OG1-OD2 2.95Å; T347-N350 PolarHBondContact O-N 3.48Å; T347-N350 VanDerWaalsContact O-N 3.16Å
348N51.8Low81.8Confident73 Ų7357.7 Ų57.739%0.3929%0.285SS..G310 helixtrans-59.2-13.3-177-100.921.7000114.5N350 V351 E489N348-N350 PolarHBondContact O-N 3.47Å; N348-N350 VanDerWaalsContact O-N 3.09Å; N348-V351 PolarHBondContact O-N 3.02Å; N348-E489 WeakPolarHBondContact CB-OE2 3.48Å; N348-E489 VanDerWaalsContact ND2-CD 3.34Å; N348-E489 PolarHBondContact ND2-OE1 3.46Å; N348-E489 PolarHBondContact ND2-OE2 3.16Å
349D49.3Very low82Confident88 Ų8853 Ų5347%0.47126%0.262SS..G310 helixtrans-53.5-25.2172.2-50.3-88.9000113.4T347T347-D349 WeakPolarHBondContact CB-OD2 3.31Å; T347-D349 PolarHBondContact O-N 2.04Å; T347-D349 PolarHBondContact OG1-OD2 2.95Å
350N51.3Low82.2Confident118 Ų11851.7 Ų51.763%0.63126%0.255SS*.G310 helixtrans-99.412179.6-70.9-15.6000114.2V346 T347 N348 D352V346-N350 HydrophobicContact CG1-CB 3.66Å; T347-N350 PolarHBondContact O-N 3.48Å; T347-N350 VanDerWaalsContact O-N 3.16Å; N348-N350 PolarHBondContact O-N 3.47Å; N348-N350 VanDerWaalsContact O-N 3.09Å; N350-D352 PolarHBondContact O-N 3.45Å
351V62.5Low82.3Confident37 Ų3746.5 Ų46.522%0.22424%0.237CC..SBendtrans-71.2116.9163.7-176.10000107.3N348 L353 K380N348-V351 PolarHBondContact O-N 3.02Å; V351-L353 HydrophobicContact CB-CD2 4.08Å; V351-L353 HydrophobicContact CG1-CD2 3.66Å; V351-L353 WeakPolarHBondContact O-CG 3.48Å; V351-L353 PolarHBondContact O-N 2.91Å; V351-K380 HydrophobicContact CG1-CD 4.34Å
352D73.1Confident82.5Confident62 Ų6243 Ų4333%0.33222%0.222SC..  trans-69.397.7172.9178.511.1000109.7R268 N350 G354R268-D352 IonicContact CZ-OD2 2.71Å; R268-D352 IonicContact NH1-OD2 3.14Å; R268-D352 PolarHBondContact NH1-OD2 3.5Å; R268-D352 IonicContact NH2-OD2 2.67Å; R268-D352 PolarHBondContact NH2-OD2 3.43Å; N350-D352 PolarHBondContact O-N 3.45Å; D352-G354 PolarHBondContact O-N 3.19Å; D352-G354 WeakPolarHBondContact OD1-CA 3.16Å; D352-G354 PolarHBondContact OD1-N 3.01Å
353L87.7Confident82.5Confident2 Ų240.7 Ų40.71%0.0121%0.21CC..  trans-81.2-1.2177.2-52.1176.7000112.5V351 L379 K380 I453 L487 V488 E489V351-L353 HydrophobicContact CB-CD2 4.08Å; V351-L353 HydrophobicContact CG1-CD2 3.66Å; V351-L353 WeakPolarHBondContact O-CG 3.48Å; V351-L353 PolarHBondContact O-N 2.91Å; L353-L379 WeakPolarHBondContact O-CA 3.37Å; L353-K380 HydrophobicContact CD2-CB 4.39Å; L353-K380 HydrophobicContact CD2-CD 3.48Å; L353-K380 VanDerWaalsContact CD2-CD 3.48Å; L353-K380 PolarHBondContact O-N 3.23Å; L353-I453 WeakPolarHBondContact CD1-O 3.15Å; L353-L487 HydrophobicContact CB-CB 3.89Å; L353-V488 WeakPolarHBondContact CD1-O 3.45Å; L353-E489 HydrophobicContact CD1-CB 4.46Å; L353-E489 HydrophobicContact CD1-CG 3.79Å; L353-E489 HydrophobicContact CD2-CG 4.42Å
354G90.1Very high82.5Confident0 Ų042.7 Ų42.70%022%0.223CC..  trans92.6-177.3-171.300000113.7D352 R377 N378 L487D352-G354 PolarHBondContact O-N 3.19Å; D352-G354 WeakPolarHBondContact OD1-CA 3.16Å; D352-G354 PolarHBondContact OD1-N 3.01Å; G354-R377 VanDerWaalsContact CA-O 3.29Å; G354-R377 WeakPolarHBondContact CA-O 3.39Å; G354-N378 WeakPolarHBondContact CA-O 3.48Å; G354-N378 PolarHBondContact N-O 3.19Å; G354-L487 WeakPolarHBondContact O-CB 3.15Å; G354-L487 WeakPolarHBondContact O-CG 3.33Å; G354-L487 PolarHBondContact O-N 3.35Å
355E92.3Very high82.7Confident41 Ų4143.8 Ų43.819%0.19224%0.238CC..EExtended strand (participates in β ladder)trans-129.6143.5-176.5-54.8-177.3107.200111.2A376 R377 W484 H485 S486E355-A376 CarbonylContact O-C 3.47Å; E355-A376 WeakPolarHBondContact O-CA 3.22Å; E355-A376 WeakPolarHBondContact O-CB 3.34Å; E355-R377 HydrophobicContact CB-CG 4.28Å; E355-R377 PolarHBondContact N-O 3.44Å; E355-R377 PolarHBondContact O-N 2.98Å; E355-R377 IonicContact OE1-NH2 3.37Å; E355-R377 IonicContact OE2-CZ 3.73Å; E355-R377 IonicContact OE2-NE 2.58Å; E355-R377 PolarHBondContact OE2-NE 3.32Å; E355-R377 IonicContact OE2-NH2 3.77Å; E355-R377 PolarHBondContact OE2-NH2 2.63Å; E355-W484 HydrophobicContact CB-CE3 3.8Å; E355-W484 HydrophobicContact CB-CZ3 4.24Å; E355-H485 WeakPolarHBondContact CA-O 3.35Å; E355-S486 PolarHBondContact OE1-OG 3.16Å
356L97.6Very high83.3Confident0 Ų042.2 Ų42.20%025%0.247CC..EExtended strand (participates in β ladder)trans-112.9127.7178.4-175.368.9000110.6F358 I373 A376 V392 I439 V441 H485 L487L356-F358 HydrophobicContact CD2-CD1 3.99Å; L356-F358 HydrophobicContact CD2-CE1 4.47Å; L356-F358 HydrophobicContact CG-CD1 4.08Å; L356-I373 HydrophobicContact CD1-CG2 4.14Å; L356-A376 HydrophobicContact CD1-CB 3.89Å; L356-V392 HydrophobicContact CD1-CG2 3.97Å; L356-V392 HydrophobicContact CD2-CG1 4.06Å; L356-I439 HydrophobicContact CD2-CG2 3.54Å; L356-V441 HydrophobicContact CD1-CG2 4.32Å; L356-V441 HydrophobicContact CD2-CG2 4.08Å; L356-H485 PolarHBondContact N-O 3.21Å; L356-H485 PolarHBondContact O-N 3.47Å; L356-L487 HydrophobicContact CB-CD2 4.12Å
357M97.8Very high84.6Confident38 Ų3842.1 Ų42.119%0.18725%0.249CC..EExtended strand (participates in β ladder)trans-98.2124.2170-165.3-174.2-178.700109.9I374 K375 A482 H483 W484M357-I374 HydrophobicContact CB-CB 4.44Å; M357-I374 HydrophobicContact CE-CD1 4.12Å; M357-I374 HydrophobicContact CG-CB 4.39Å; M357-I374 HydrophobicContact CG-CD1 4.22Å; M357-I374 WeakPolarHBondContact O-CB 3.32Å; M357-I374 PolarHBondContact O-N 3.02Å; M357-I374 HydrophobicContact SD-CB 4.49Å; M357-I374 HydrophobicContact SD-CD1 4.3Å; M357-I374 HydrophobicContact SD-CG2 4.22Å; M357-K375 WeakPolarHBondContact CA-O 3.5Å; M357-K375 HydrophobicContact CB-CG 4.04Å; M357-K375 WeakPolarHBondContact CB-O 3.46Å; M357-K375 PolarHBondContact N-O 3.03Å; M357-K375 PolarHBondContact O-N 2.93Å; M357-K375 HydrophobicContact SD-CG 4.4Å; M357-A482 HydrophobicContact CE-CB 4.22Å; M357-H483 WeakPolarHBondContact CA-O 3.46Å; M357-W484 HydrophobicContact CB-CD2 3.78Å; M357-W484 HydrophobicContact CB-CE3 3.68Å; M357-W484 HydrophobicContact CB-CG 4.49Å; M357-W484 HydrophobicContact CB-CH2 3.97Å; M357-W484 HydrophobicContact CB-CZ2 4.06Å; M357-W484 HydrophobicContact CB-CZ3 3.76Å; M357-W484 HydrophobicContact CG-CD2 4.15Å; M357-W484 HydrophobicContact CG-CG 4.49Å; M357-W484 HydrophobicContact CG-CZ2 4.44Å; M357-W484 HydrophobicContact SD-CZ2 4.07Å
358F98.6Very high86.5Confident0 Ų044.4 Ų44.40%025%0.251CS..EExtended strand (participates in β ladder)trans-142.9158.8172.359.6-90.7000110.6L356 L360 I371 T372 I373 I439 V458 H469 H483 H485L356-F358 HydrophobicContact CD2-CD1 3.99Å; L356-F358 HydrophobicContact CD2-CE1 4.47Å; L356-F358 HydrophobicContact CG-CD1 4.08Å; F358-L360 HydrophobicContact CD2-CD2 4.11Å; F358-L360 HydrophobicContact CD2-CG 4.16Å; F358-L360 HydrophobicContact CE2-CD1 4.3Å; F358-L360 HydrophobicContact CE2-CD2 4.05Å; F358-L360 HydrophobicContact CE2-CG 3.98Å; F358-I371 HydrophobicContact CB-CD1 4.47Å; F358-I371 HydrophobicContact CB-CG1 4.31Å; F358-I371 HydrophobicContact CD2-CD1 3.68Å; F358-I371 HydrophobicContact CD2-CG1 3.94Å; F358-I371 HydrophobicContact CE2-CD1 4.12Å; F358-I371 HydrophobicContact CG-CD1 4.14Å; F358-I371 HydrophobicContact CG-CG1 4.4Å; F358-T372 CarbonylContact C-O 3.55Å; F358-T372 WeakPolarHBondContact CA-O 3.07Å; F358-T372 VanDerWaalsContact CB-O 3.26Å; F358-T372 WeakPolarHBondContact CB-O 3.23Å; F358-I373 HydrophobicContact CB-CD1 3.95Å; F358-I439 HydrophobicContact CD1-CD1 4.24Å; F358-I439 HydrophobicContact CD2-CD1 4.34Å; F358-I439 HydrophobicContact CE1-CD1 3.71Å; F358-I439 HydrophobicContact CE2-CD1 3.84Å; F358-I439 HydrophobicContact CZ-CD1 3.49Å; F358-I439 VanDerWaalsContact CZ-CD1 3.49Å; F358-V458 HydrophobicContact CE2-CG1 3.93Å; F358-V458 HydrophobicContact CE2-CG2 4.32Å; F358-V458 HydrophobicContact CZ-CG1 3.66Å; F358-H469 AromaticContact CD2-CE1 3.73Å; F358-H469 AromaticContact CE2-CE1 3.46Å; F358-H469 VanDerWaalsContact CE2-CE1 3.46Å; F358-H469 WeakPolarHBondContact CE2-CE1 3.35Å; F358-H469 AromaticContact CE2-ND1 3.59Å; F358-H483 PolarHBondContact N-O 3.25Å; F358-H483 PolarHBondContact O-N 2.66Å; F358-H485 HydrophobicContact CE1-CB 3.95Å; F358-H485 AromaticContact CE1-CD2 3.38Å; F358-H485 WeakPolarHBondContact CE1-CD2 3.41Å; F358-H485 AromaticContact CE1-CG 3.67Å; F358-H485 AromaticContact CZ-CD2 3.37Å; F358-H485 WeakPolarHBondContact CZ-CD2 3.22Å; F358-H485 AromaticContact CZ-CG 3.8Å
359S98.4Very high88.7Confident10 Ų1040.9 Ų40.97%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-112139.8172.5700000112.3I371 T372 I481S359-I371 CarbonylContact O-C 3.55Å; S359-I371 VanDerWaalsContact O-CA 3.31Å; S359-I371 WeakPolarHBondContact O-CA 3.45Å; S359-T372 PolarHBondContact N-O 2.7Å; S359-T372 PolarHBondContact O-N 3.33Å; S359-T372 VanDerWaalsContact OG-CB 3.29Å; S359-T372 WeakPolarHBondContact OG-CB 3.14Å; S359-T372 PolarHBondContact OG-OG1 3.1Å; S359-I481 CarbonylContact C-O 3.55Å; S359-I481 WeakPolarHBondContact CA-O 3.18Å; S359-I481 WeakPolarHBondContact CB-O 3.27Å
360L98.3Very high91.1Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-106.4140.3171.8-63.4179.5000110.9F358 I371 L437 V458 W470 M473 P480 I481F358-L360 HydrophobicContact CD2-CD2 4.11Å; F358-L360 HydrophobicContact CD2-CG 4.16Å; F358-L360 HydrophobicContact CE2-CD1 4.3Å; F358-L360 HydrophobicContact CE2-CD2 4.05Å; F358-L360 HydrophobicContact CE2-CG 3.98Å; L360-I371 HydrophobicContact CD2-CB 3.87Å; L360-I371 HydrophobicContact CD2-CD1 3.92Å; L360-I371 HydrophobicContact CD2-CG1 3.82Å; L360-L437 HydrophobicContact CD2-CD1 4.06Å; L360-V458 HydrophobicContact CD1-CB 4.21Å; L360-V458 HydrophobicContact CD1-CG1 4.35Å; L360-V458 HydrophobicContact CD1-CG2 4.03Å; L360-V458 HydrophobicContact CD2-CG2 4.39Å; L360-W470 HydrophobicContact CD1-CE3 3.98Å; L360-M473 HydrophobicContact CB-CB 4.05Å; L360-M473 HydrophobicContact CB-CG 3.88Å; L360-M473 HydrophobicContact CB-SD 3.65Å; L360-M473 HydrophobicContact CD1-SD 4.29Å; L360-M473 HydrophobicContact CG-SD 4.46Å; L360-P480 WeakPolarHBondContact O-CA 3.38Å; L360-I481 PolarHBondContact N-O 2.84Å; L360-I481 PolarHBondContact O-N 3.2Å
361C97.9Very high93.3Very high14 Ų1431.8 Ų31.810%0.09518%0.184CC..EExtended strand (participates in β ladder)trans-147.5124.8172.9-176.20000110T370 R478 P480C361-T370 PolarHBondContact N-O 2.73Å; C361-T370 PolarHBondContact O-N 2.69Å; C361-R478 PolarHBondContact SG-O 2.8Å; C361-P480 HydrophobicContact CB-CB 4.34Å
362Y97.6Very high95Very high8 Ų831.7 Ų31.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-111.5137.7175.4-171.4-123.6000111.8P364 R368 L369 V427 P429 I432 L474 R478Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 3.72Å; Y362-P364 HydrophobicContact CE1-CB 3.91Å; Y362-P364 HydrophobicContact CE1-CG 3.67Å; Y362-R368 WeakPolarHBondContact CD2-O 3.48Å; Y362-L369 HydrophobicContact CD2-CB 3.97Å; Y362-L369 HydrophobicContact CD2-CD1 4.34Å; Y362-L369 HydrophobicContact CE2-CB 4.42Å; Y362-V427 HydrophobicContact CE2-CB 4.29Å; Y362-V427 WeakPolarHBondContact CE2-O 3.42Å; Y362-V427 PolarHBondContact OH-O 3.4Å; Y362-P429 VanDerWaalsContact OH-CA 3.32Å; Y362-P429 WeakPolarHBondContact OH-CA 3.33Å; Y362-I432 HydrophobicContact CD1-CD1 4.19Å; Y362-I432 HydrophobicContact CD1-CG1 4.27Å; Y362-I432 HydrophobicContact CD2-CD1 3.99Å; Y362-I432 HydrophobicContact CE1-CB 4.5Å; Y362-I432 HydrophobicContact CE1-CD1 4.03Å; Y362-I432 HydrophobicContact CE1-CG1 3.99Å; Y362-I432 HydrophobicContact CE2-CD1 3.83Å; Y362-I432 HydrophobicContact CG-CD1 4.19Å; Y362-L474 HydrophobicContact CD1-CD2 4.06Å; Y362-R478 PolarHBondContact O-N 3.28Å
363L96.8Very high96.3Very high49 Ų4928.8 Ų28.826%0.25717%0.168SC..EExtended strand (participates in β ladder)trans-119.691.9175.1-72.878.6000108.7T365 A366 G367 R368 R478L363-T365 PolarHBondContact O-N 3.14Å; L363-A366 HydrophobicContact CB-CB 4.3Å; L363-A366 PolarHBondContact O-N 2.77Å; L363-A366 VanDerWaalsContact O-N 3.17Å; L363-G367 PolarHBondContact O-N 3.23Å; L363-G367 VanDerWaalsContact O-N 3.12Å; L363-R368 HydrophobicContact CB-CB 4.36Å; L363-R368 PolarHBondContact N-O 3.34Å; L363-R368 PolarHBondContact O-N 3.44Å; L363-R368 VanDerWaalsContact O-N 3.09Å; L363-R478 HydrophobicContact CG-CG 4.2Å
364P94.9Very high96.8Very high47 Ų4730.3 Ų30.331%0.30518%0.176SC..G310 helixtrans-56.5-45.5-176.6-24.431.2000113.2Y362 A366 G367 P429 P477Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 3.72Å; Y362-P364 HydrophobicContact CE1-CB 3.91Å; Y362-P364 HydrophobicContact CE1-CG 3.67Å; P364-A366 PolarHBondContact O-N 3.3Å; P364-A366 VanDerWaalsContact O-N 3.09Å; P364-G367 PolarHBondContact O-N 3.45Å; P364-P429 HydrophobicContact CB-CG 4.29Å; P364-P429 WeakPolarHBondContact O-CG 3.43Å; P364-P477 HydrophobicContact CG-CB 4.4Å
365T94.4Very high97.1Very high153 Ų15334.1 Ų34.194%0.93919%0.192SC*.G310 helixtrans-59.9-22.9-178.7-40.30000114L363L363-T365 PolarHBondContact O-N 3.14Å
366A94.8Very high97.3Very high69 Ų6932.4 Ų32.457%0.5719%0.185SC*.G310 helixtrans-1104.3178.400000112.6L363 P364 R368L363-A366 HydrophobicContact CB-CB 4.3Å; L363-A366 PolarHBondContact O-N 2.77Å; L363-A366 VanDerWaalsContact O-N 3.17Å; P364-A366 PolarHBondContact O-N 3.3Å; P364-A366 VanDerWaalsContact O-N 3.09Å; A366-R368 HydrophobicContact CB-CB 4.19Å; A366-R368 PolarHBondContact O-N 3.4Å
367G95.9Very high97Very high15 Ų1537.2 Ų37.216%0.15520%0.203CC..THydrogen-bonded Turntrans49.840.1-171.700000112.9L363 P364 D426 V427L363-G367 PolarHBondContact O-N 3.23Å; L363-G367 VanDerWaalsContact O-N 3.12Å; P364-G367 PolarHBondContact O-N 3.45Å; G367-D426 CarbonylContact O-C 3.51Å; G367-D426 WeakPolarHBondContact O-CA 3.23Å; G367-V427 CarbonylContact C-O 3.34Å; G367-V427 WeakPolarHBondContact CA-O 3.42Å; G367-V427 CarbonylContact O-C 3.55Å; G367-V427 PolarHBondContact O-N 3.44Å; G367-V427 VanDerWaalsContact O-O 3.11Å
368R96.8Very high96.5Very high108 Ų10839.3 Ų39.341%0.40822%0.215SC..EExtended strand (participates in β ladder)trans-121.4113.2-167.2-161.6-175.1113.2-1780.6113Y362 L363 A366 T370 V424Y362-R368 WeakPolarHBondContact CD2-O 3.48Å; L363-R368 HydrophobicContact CB-CB 4.36Å; L363-R368 PolarHBondContact N-O 3.34Å; L363-R368 PolarHBondContact O-N 3.44Å; L363-R368 VanDerWaalsContact O-N 3.09Å; A366-R368 HydrophobicContact CB-CB 4.19Å; A366-R368 PolarHBondContact O-N 3.4Å; R368-T370 PolarHBondContact NE-OG1 3.5Å; R368-T370 PolarHBondContact NH2-OG1 3.11Å; R368-V424 HydrophobicContact CG-CG1 3.49Å; R368-V424 VanDerWaalsContact CG-CG1 3.49Å
369L97.8Very high96.1Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-95.9122.6171178.461.9000109.7Y362 V424 F425 V427 I435 L437 W470 M473Y362-L369 HydrophobicContact CD2-CB 3.97Å; Y362-L369 HydrophobicContact CD2-CD1 4.34Å; Y362-L369 HydrophobicContact CE2-CB 4.42Å; L369-V424 WeakPolarHBondContact O-CA 3.47Å; L369-F425 HydrophobicContact CB-CB 4.38Å; L369-F425 PolarHBondContact N-O 2.84Å; L369-F425 PolarHBondContact O-N 3.01Å; L369-V427 HydrophobicContact CB-CB 4.35Å; L369-V427 HydrophobicContact CB-CG2 3.96Å; L369-V427 HydrophobicContact CD2-CG2 4.17Å; L369-I435 HydrophobicContact CD2-CD1 4.01Å; L369-L437 HydrophobicContact CD2-CD1 4.16Å; L369-L437 HydrophobicContact CD2-CD2 4.13Å; L369-L437 HydrophobicContact CD2-CG 4.31Å; L369-W470 HydrophobicContact CD1-CH2 4.38Å; L369-W470 HydrophobicContact CD1-CZ3 4.37Å; L369-W470 HydrophobicContact CD2-CH2 3.7Å; L369-W470 HydrophobicContact CD2-CZ3 4.11Å; L369-M473 HydrophobicContact CD1-CE 4.13Å; L369-M473 HydrophobicContact CD1-SD 3.45Å; L369-M473 WeakPolarHBondContact CD1-SD 3.28Å
370T98.1Very high95.5Very high14 Ų1442 Ų429%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-116.4124.1176.9-49.10000109.2C361 R368 A422 V424C361-T370 PolarHBondContact N-O 2.73Å; C361-T370 PolarHBondContact O-N 2.69Å; R368-T370 PolarHBondContact NE-OG1 3.5Å; R368-T370 PolarHBondContact NH2-OG1 3.11Å; T370-A422 HydrophobicContact CG2-CB 4.42Å; T370-V424 HydrophobicContact CG2-CG2 4.13Å
371I98.5Very high94.8Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-115.3118.2170.4179174000109.3F358 S359 L360 I373 V394 I423 F425 L437 I439F358-I371 HydrophobicContact CB-CD1 4.47Å; F358-I371 HydrophobicContact CB-CG1 4.31Å; F358-I371 HydrophobicContact CD2-CD1 3.68Å; F358-I371 HydrophobicContact CD2-CG1 3.94Å; F358-I371 HydrophobicContact CE2-CD1 4.12Å; F358-I371 HydrophobicContact CG-CD1 4.14Å; F358-I371 HydrophobicContact CG-CG1 4.4Å; S359-I371 CarbonylContact O-C 3.55Å; S359-I371 VanDerWaalsContact O-CA 3.31Å; S359-I371 WeakPolarHBondContact O-CA 3.45Å; L360-I371 HydrophobicContact CD2-CB 3.87Å; L360-I371 HydrophobicContact CD2-CD1 3.92Å; L360-I371 HydrophobicContact CD2-CG1 3.82Å; I371-I373 HydrophobicContact CD1-CD1 3.97Å; I371-I373 HydrophobicContact CG1-CD1 4.03Å; I371-V394 HydrophobicContact CD1-CG1 4.45Å; I371-V394 HydrophobicContact CD1-CG2 4.45Å; I371-V394 HydrophobicContact CG2-CG1 4.22Å; I371-I423 HydrophobicContact CG2-CB 3.95Å; I371-I423 HydrophobicContact CG2-CG2 4.17Å; I371-I423 PolarHBondContact N-O 3.37Å; I371-I423 PolarHBondContact O-N 2.92Å; I371-F425 HydrophobicContact CG2-CD2 4.36Å; I371-F425 HydrophobicContact CG2-CE2 3.97Å; I371-L437 HydrophobicContact CB-CD1 4.21Å; I371-L437 HydrophobicContact CD1-CD1 3.93Å; I371-L437 HydrophobicContact CG2-CD1 4.14Å; I371-I439 HydrophobicContact CD1-CD1 3.59Å; I371-I439 HydrophobicContact CD1-CG1 4.2Å
372T98.6Very high94.1Very high36 Ų3645.6 Ų45.622%0.22125%0.249CC..EExtended strand (participates in β ladder)trans-99.9115.1176.2-45.90000109.1F358 S359 I374 E421 A422F358-T372 CarbonylContact C-O 3.55Å; F358-T372 WeakPolarHBondContact CA-O 3.07Å; F358-T372 VanDerWaalsContact CB-O 3.26Å; F358-T372 WeakPolarHBondContact CB-O 3.23Å; S359-T372 PolarHBondContact N-O 2.7Å; S359-T372 PolarHBondContact O-N 3.33Å; S359-T372 VanDerWaalsContact OG-CB 3.29Å; S359-T372 WeakPolarHBondContact OG-CB 3.14Å; S359-T372 PolarHBondContact OG-OG1 3.1Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-E421 WeakPolarHBondContact CA-O 3.29Å; T372-A422 HydrophobicContact CG2-CB 4.4Å
373I98.7Very high93.2Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-78.1113.3172.5-54.2-53.7000107.4L356 F358 I371 V392 V394 T408 Y419 N420 E421 I423L356-I373 HydrophobicContact CD1-CG2 4.14Å; F358-I373 HydrophobicContact CB-CD1 3.95Å; I371-I373 HydrophobicContact CD1-CD1 3.97Å; I371-I373 HydrophobicContact CG1-CD1 4.03Å; I373-V392 HydrophobicContact CD1-CG1 4.03Å; I373-V392 HydrophobicContact CG1-CB 4.43Å; I373-V392 HydrophobicContact CG1-CG1 4.21Å; I373-V392 HydrophobicContact CG2-CB 4.11Å; I373-V392 HydrophobicContact CG2-CG1 4.37Å; I373-V392 HydrophobicContact CG2-CG2 3.78Å; I373-V394 HydrophobicContact CD1-CG2 4.02Å; I373-V394 HydrophobicContact CG1-CG2 4.45Å; I373-T408 HydrophobicContact CB-CG2 3.95Å; I373-T408 HydrophobicContact CG1-CG2 3.87Å; I373-T408 HydrophobicContact CG2-CG2 4.14Å; I373-Y419 HydrophobicContact CG2-CD2 3.61Å; I373-Y419 HydrophobicContact CG2-CE2 4.21Å; I373-Y419 HydrophobicContact CG2-CG 3.95Å; I373-Y419 WeakPolarHBondContact O-CB 3.27Å; I373-N420 CarbonylContact O-C 3.6Å; I373-N420 VanDerWaalsContact O-CA 3.26Å; I373-N420 WeakPolarHBondContact O-CA 3.49Å; I373-N420 PolarHBondContact O-N 3.31Å; I373-E421 PolarHBondContact N-O 3.04Å; I373-E421 PolarHBondContact O-N 3.11Å; I373-I423 HydrophobicContact CG1-CD1 4.38Å
374I98.3Very high91.9Very high35 Ų3554 Ų5418%0.17929%0.293CS..EExtended strand (participates in β ladder)trans-89.9-65.4-172.9-58.4171.9000109.2M357 T372 Y419 N420 A482M357-I374 HydrophobicContact CB-CB 4.44Å; M357-I374 HydrophobicContact CE-CD1 4.12Å; M357-I374 HydrophobicContact CG-CB 4.39Å; M357-I374 HydrophobicContact CG-CD1 4.22Å; M357-I374 WeakPolarHBondContact O-CB 3.32Å; M357-I374 PolarHBondContact O-N 3.02Å; M357-I374 HydrophobicContact SD-CB 4.49Å; M357-I374 HydrophobicContact SD-CD1 4.3Å; M357-I374 HydrophobicContact SD-CG2 4.22Å; T372-I374 PolarHBondContact O-N 3.3Å; I374-Y419 PolarHBondContact O-N 2.84Å; I374-N420 PolarHBondContact O-N 3.01Å; I374-N420 VanDerWaalsContact O-N 3.09Å; I374-N420 PolarHBondContact O-OD1 2.97Å; I374-A482 HydrophobicContact CD1-CB 4.23Å
375K97.3Very high90.8Very high80 Ų8056.4 Ų56.435%0.34831%0.307SS..EExtended strand (participates in β ladder)trans-162.3162.9-176.860.7-173.8174.4-178.70111.3M357 P417 V418 W484M357-K375 WeakPolarHBondContact CA-O 3.5Å; M357-K375 HydrophobicContact CB-CG 4.04Å; M357-K375 WeakPolarHBondContact CB-O 3.46Å; M357-K375 PolarHBondContact N-O 3.03Å; M357-K375 PolarHBondContact O-N 2.93Å; M357-K375 HydrophobicContact SD-CG 4.4Å; K375-P417 CarbonylContact C-O 3.51Å; K375-P417 WeakPolarHBondContact CA-O 3.11Å; K375-P417 WeakPolarHBondContact CB-O 3.38Å; K375-V418 HydrophobicContact CB-CB 4.37Å; K375-V418 HydrophobicContact CB-CG1 4.49Å; K375-V418 HydrophobicContact CB-CG2 4.01Å; K375-W484 HydrophobicContact CD-CH2 4.27Å; K375-W484 HydrophobicContact CG-CH2 3.97Å
376A97.3Very high89.7Confident4 Ų451.2 Ų51.23%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-119.9162.7164.800000110.8E355 L356 L379 N416 P417E355-A376 CarbonylContact O-C 3.47Å; E355-A376 WeakPolarHBondContact O-CA 3.22Å; E355-A376 WeakPolarHBondContact O-CB 3.34Å; L356-A376 HydrophobicContact CD1-CB 3.89Å; A376-L379 HydrophobicContact CB-CD1 4.01Å; A376-L379 HydrophobicContact CB-CD2 3.88Å; A376-L379 HydrophobicContact CB-CG 3.97Å; A376-N416 CarbonylContact O-C 3.55Å; A376-N416 WeakPolarHBondContact O-CA 3.36Å; A376-P417 HydrophobicContact CB-CG 3.9Å; A376-P417 PolarHBondContact N-O 3.35Å
377R90.5Very high89.2Confident101 Ų10148.4 Ų48.438%0.38126%0.26SS..EExtended strand (participates in β ladder)trans-138.7157.3172.570.7-176.9176.8-174.5-2.6111.9G354 E355 L379 L415 N416 W484G354-R377 VanDerWaalsContact CA-O 3.29Å; G354-R377 WeakPolarHBondContact CA-O 3.39Å; E355-R377 HydrophobicContact CB-CG 4.28Å; E355-R377 PolarHBondContact N-O 3.44Å; E355-R377 PolarHBondContact O-N 2.98Å; E355-R377 IonicContact OE1-NH2 3.37Å; E355-R377 IonicContact OE2-CZ 3.73Å; E355-R377 IonicContact OE2-NE 2.58Å; E355-R377 PolarHBondContact OE2-NE 3.32Å; E355-R377 IonicContact OE2-NH2 3.77Å; E355-R377 PolarHBondContact OE2-NH2 2.63Å; R377-L379 PolarHBondContact O-N 3.3Å; R377-L379 VanDerWaalsContact O-N 3.12Å; R377-L415 CarbonylContact C-O 3.39Å; R377-N416 WeakPolarHBondContact CA-OD1 3.44Å; R377-N416 WeakPolarHBondContact CB-OD1 3.19Å; R377-W484 HydrophobicContact CB-CH2 4.17Å; R377-W484 HydrophobicContact CB-CZ3 4.24Å; R377-W484 HydrophobicContact CG-CE3 4.42Å; R377-W484 HydrophobicContact CG-CH2 3.8Å; R377-W484 HydrophobicContact CG-CZ3 3.63Å
378N87.1Confident88.9Confident83 Ų8347.7 Ų47.744%0.44425%0.253SS..SBendtrans52.828.7176.4-63.2-7.3000114.7G354 L415 N416G354-N378 WeakPolarHBondContact CA-O 3.48Å; G354-N378 PolarHBondContact N-O 3.19Å; N378-L415 PolarHBondContact N-O 3Å; N378-N416 PolarHBondContact N-OD1 3.49Å
379L90.5Very high88.8Confident4 Ų442.9 Ų42.92%0.02124%0.236CC..PPolyproline II helixtrans-56.3144-179.7-65.8-179.2000111.2L353 A376 R377 A381 P390 L415 P417 V441 I453 L487L353-L379 WeakPolarHBondContact O-CA 3.37Å; A376-L379 HydrophobicContact CB-CD1 4.01Å; A376-L379 HydrophobicContact CB-CD2 3.88Å; A376-L379 HydrophobicContact CB-CG 3.97Å; R377-L379 PolarHBondContact O-N 3.3Å; R377-L379 VanDerWaalsContact O-N 3.12Å; L379-A381 PolarHBondContact O-N 3.28Å; L379-P390 HydrophobicContact CD1-CB 3.78Å; L379-P390 HydrophobicContact CD1-CG 4.02Å; L379-L415 HydrophobicContact CB-CB 4.32Å; L379-L415 HydrophobicContact CB-CD2 4.43Å; L379-L415 WeakPolarHBondContact CB-O 3.5Å; L379-L415 PolarHBondContact N-O 2.92Å; L379-L415 WeakPolarHBondContact O-CD2 3.41Å; L379-P417 HydrophobicContact CD1-CG 3.77Å; L379-V441 HydrophobicContact CD1-CG1 4.06Å; L379-V441 HydrophobicContact CD2-CG1 4.12Å; L379-I453 HydrophobicContact CB-CG2 4.45Å; L379-I453 HydrophobicContact CD1-CD1 4.48Å; L379-I453 HydrophobicContact CD2-CG2 4.38Å; L379-L487 HydrophobicContact CD2-CD1 3.57Å
380K85.5Confident88.8Confident61 Ų6142.9 Ų42.927%0.26524%0.236SC..PPolyproline II helixtrans-62.8124.7172.1172179.2173.4-175.30110V351 L353 M382 S388 I453 E489V351-K380 HydrophobicContact CG1-CD 4.34Å; L353-K380 HydrophobicContact CD2-CB 4.39Å; L353-K380 HydrophobicContact CD2-CD 3.48Å; L353-K380 VanDerWaalsContact CD2-CD 3.48Å; L353-K380 PolarHBondContact O-N 3.23Å; K380-M382 HydrophobicContact CD-SD 3.84Å; K380-M382 HydrophobicContact CG-SD 3.78Å; K380-S388 PolarHBondContact O-OG 2.7Å; K380-S388 VanDerWaalsContact O-OG 3.09Å; K380-I453 HydrophobicContact CB-CG2 4.13Å; K380-E489 IonicContact NZ-OE1 3.15Å
381A84.5Confident88.8Confident43 Ų4343 Ų4336%0.35524%0.235SC..PPolyproline II helixtrans-65.6130.9169.400000110.2L379 G386 A387 L415L379-A381 PolarHBondContact O-N 3.28Å; A381-G386 WeakPolarHBondContact CB-O 3.49Å; A381-A387 WeakPolarHBondContact CA-O 3.49Å; A381-L415 HydrophobicContact CB-CD1 4.12Å; A381-L415 HydrophobicContact CB-CD2 4.09Å
382M82.2Confident88.8Confident48 Ų4843 Ų4324%0.23624%0.235CC..  trans-119-35.6-178.1-61.3-60.1-62.800110.9K380 A387 S388 D443 E451 I453K380-M382 HydrophobicContact CD-SD 3.84Å; K380-M382 HydrophobicContact CG-SD 3.78Å; M382-A387 PolarHBondContact N-O 2.9Å; M382-S388 PolarHBondContact N-OG 2.99Å; M382-D443 HydrophobicContact CB-CB 4.48Å; M382-D443 VanDerWaalsContact CB-OD2 3.24Å; M382-D443 WeakPolarHBondContact CB-OD2 3.5Å; M382-E451 HydrophobicContact CE-CB 4Å; M382-E451 WeakPolarHBondContact CE-OE2 3.22Å; M382-I453 HydrophobicContact CG-CG1 3.99Å
383D78Confident88.8Confident50 Ų5043.1 Ų43.127%0.26723%0.232SC..SBendtrans-64149.3173-85.2-56.4000112.6T385 G386 A387 S388D383-T385 HydrophobicContact CB-CG2 4.33Å; D383-T385 WeakPolarHBondContact CB-OG1 3.46Å; D383-T385 PolarHBondContact O-N 2.81Å; D383-T385 VanDerWaalsContact O-N 3.12Å; D383-G386 PolarHBondContact O-N 2.81Å; D383-A387 WeakPolarHBondContact CB-O 3.04Å; D383-A387 PolarHBondContact N-O 2.55Å; D383-S388 WeakPolarHBondContact OD2-CA 3.39Å
384I70.1Confident88.8Confident184 Ų18443.1 Ų43.194%0.94423%0.232SC*.THydrogen-bonded Turntrans-58.2-23.7168-58.1174.3000111.5G386I384-G386 PolarHBondContact O-N 3.11Å
385T71.6Confident88.8Confident97 Ų9742.1 Ų42.160%0.59523%0.228SC*.THydrogen-bonded Turntrans-65.3-15.8175.164.90000113.9D383 A387D383-T385 HydrophobicContact CB-CG2 4.33Å; D383-T385 WeakPolarHBondContact CB-OG1 3.46Å; D383-T385 PolarHBondContact O-N 2.81Å; D383-T385 VanDerWaalsContact O-N 3.12Å; T385-A387 PolarHBondContact OG1-N 2.7Å
386G71.8Confident88.8Confident44 Ų4438.7 Ų38.745%0.45421%0.213SC..SBendtrans83.116-17100000113.9A381 D383 I384A381-G386 WeakPolarHBondContact CB-O 3.49Å; D383-G386 PolarHBondContact O-N 2.81Å; I384-G386 PolarHBondContact O-N 3.11Å
387A83.5Confident88.7Confident9 Ų939.8 Ų39.87%0.07422%0.218CC..SBendtrans-126.7-156.7173.700000110.8A381 M382 D383 T385 N413A381-A387 WeakPolarHBondContact CA-O 3.49Å; M382-A387 PolarHBondContact N-O 2.9Å; D383-A387 WeakPolarHBondContact CB-O 3.04Å; D383-A387 PolarHBondContact N-O 2.55Å; T385-A387 PolarHBondContact OG1-N 2.7Å; A387-N413 WeakPolarHBondContact CB-OD1 3.43Å
388S90.8Very high88.8Confident0 Ų035.8 Ų35.80%021%0.205CC..  trans-153.1161.3169-43.40000108.1K380 M382 D383 P390 N413 T414 D443K380-S388 PolarHBondContact O-OG 2.7Å; K380-S388 VanDerWaalsContact O-OG 3.09Å; M382-S388 PolarHBondContact N-OG 2.99Å; D383-S388 WeakPolarHBondContact OD2-CA 3.39Å; S388-P390 WeakPolarHBondContact O-CD 3.46Å; S388-N413 CarbonylContact O-C 3.54Å; S388-N413 VanDerWaalsContact O-CA 3.23Å; S388-N413 WeakPolarHBondContact O-CA 3.4Å; S388-N413 PolarHBondContact O-N 3.1Å; S388-N413 VanDerWaalsContact O-N 3.08Å; S388-T414 PolarHBondContact O-N 3.28Å; S388-D443 WeakPolarHBondContact CB-OD1 3.38Å
389D95.1Very high88.8Confident8 Ų838.1 Ų38.14%0.04322%0.218CC..  trans-101.570.1165.1-865.6000109.6T410 K411 R412 N413 D443 Y444 R446D389-T410 HydrophobicContact CB-CG2 4.11Å; D389-T410 VanDerWaalsContact O-CG2 3.26Å; D389-T410 WeakPolarHBondContact O-CG2 3.3Å; D389-K411 CarbonylContact C-O 3.46Å; D389-K411 VanDerWaalsContact CA-O 3.22Å; D389-K411 WeakPolarHBondContact CA-O 3.3Å; D389-R412 WeakPolarHBondContact OD1-CA 3.33Å; D389-R412 VanDerWaalsContact OD1-CB 3.3Å; D389-R412 WeakPolarHBondContact OD1-CB 3.4Å; D389-N413 PolarHBondContact OD1-N 3.09Å; D389-D443 VanDerWaalsContact C-OD1 3.3Å; D389-D443 WeakPolarHBondContact CA-OD1 3.43Å; D389-D443 PolarHBondContact N-OD1 2.59Å; D389-Y444 HydrophobicContact CB-CD1 4.48Å; D389-Y444 VanDerWaalsContact O-CB 3.29Å; D389-Y444 WeakPolarHBondContact O-CB 3.49Å; D389-Y444 PolarHBondContact O-N 2.96Å; D389-Y444 VanDerWaalsContact O-N 3.08Å; D389-R446 IonicContact OD2-NE 2.66Å
390P97.4Very high88.6Confident0 Ų040.8 Ų40.80%025%0.247CC..  trans-72.5147.1-167.331-39.9000115.8L379 S388 T410 K411 T414 P417 Y419 V441 M442 I453L379-P390 HydrophobicContact CD1-CB 3.78Å; L379-P390 HydrophobicContact CD1-CG 4.02Å; S388-P390 WeakPolarHBondContact O-CD 3.46Å; P390-T410 WeakPolarHBondContact O-CA 3.23Å; P390-K411 WeakPolarHBondContact CD-O 3.05Å; P390-K411 VanDerWaalsContact N-O 3.1Å; P390-K411 PolarHBondContact O-N 2.82Å; P390-T414 VanDerWaalsContact CD-O 3.31Å; P390-T414 WeakPolarHBondContact CD-O 3.29Å; P390-T414 HydrophobicContact CG-CG2 4.12Å; P390-T414 WeakPolarHBondContact CG-O 3.49Å; P390-P417 HydrophobicContact CB-CG 4.3Å; P390-P417 HydrophobicContact CG-CB 3.93Å; P390-P417 HydrophobicContact CG-CG 3.69Å; P390-Y419 PolarHBondContact O-OH 3.38Å; P390-V441 HydrophobicContact CB-CG1 4.46Å; P390-M442 CarbonylContact C-O 3.43Å; P390-M442 VanDerWaalsContact CA-O 3.27Å; P390-M442 WeakPolarHBondContact CA-O 3.41Å; P390-I453 HydrophobicContact CB-CD1 4.17Å
391Y98.2Very high88.9Confident17 Ų1747.3 Ų47.37%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-141.7153.9163.973.1-82.6000111.9K393 K407 M442 D443Y391-K393 HydrophobicContact CE2-CB 4.37Å; Y391-K393 WeakPolarHBondContact OH-CE 3.5Å; Y391-K393 PolarHBondContact OH-NZ 3.14Å; Y391-K407 HydrophobicContact CD2-CB 4.13Å; Y391-K407 HydrophobicContact CD2-CD 4.29Å; Y391-K407 HydrophobicContact CE2-CB 4.35Å; Y391-K407 HydrophobicContact CE2-CD 4.26Å; Y391-M442 HydrophobicContact CD1-CB 3.76Å; Y391-M442 HydrophobicContact CD2-CB 4.2Å; Y391-M442 HydrophobicContact CD2-CG 4.44Å; Y391-M442 HydrophobicContact CE1-CB 3.38Å; Y391-M442 HydrophobicContact CE1-CG 4.25Å; Y391-M442 HydrophobicContact CE2-CB 3.86Å; Y391-M442 HydrophobicContact CE2-CG 3.89Å; Y391-M442 HydrophobicContact CG-CB 4.15Å; Y391-M442 VanDerWaalsContact CZ-CB 3.42Å; Y391-M442 PolarHBondContact N-O 2.87Å; Y391-M442 WeakPolarHBondContact O-CB 3.29Å; Y391-M442 PolarHBondContact O-N 3.27Å; Y391-D443 WeakPolarHBondContact CE1-O 3.43Å
392V98.6Very high89.4Confident0 Ų052.5 Ų52.50%028%0.28CS..EExtended strand (participates in β ladder)trans-102.1140.3179.4-172.70000110.8L356 I373 V394 K407 T408 Y419 I439 V441L356-V392 HydrophobicContact CD1-CG2 3.97Å; L356-V392 HydrophobicContact CD2-CG1 4.06Å; I373-V392 HydrophobicContact CD1-CG1 4.03Å; I373-V392 HydrophobicContact CG1-CB 4.43Å; I373-V392 HydrophobicContact CG1-CG1 4.21Å; I373-V392 HydrophobicContact CG2-CB 4.11Å; I373-V392 HydrophobicContact CG2-CG1 4.37Å; I373-V392 HydrophobicContact CG2-CG2 3.78Å; V392-V394 HydrophobicContact CG1-CG2 4.35Å; V392-K407 CarbonylContact O-C 3.58Å; V392-K407 WeakPolarHBondContact O-CA 3.4Å; V392-T408 HydrophobicContact CB-CG2 3.95Å; V392-T408 PolarHBondContact N-OG1 3.4Å; V392-T408 PolarHBondContact O-N 3.45Å; V392-Y419 HydrophobicContact CG2-CD2 4.41Å; V392-Y419 HydrophobicContact CG2-CE1 4.38Å; V392-Y419 HydrophobicContact CG2-CE2 3.74Å; V392-I439 HydrophobicContact CG1-CG2 3.68Å; V392-V441 HydrophobicContact CG2-CG2 4.23Å
393K98.3Very high90Very high38 Ų3855.4 Ų55.417%0.16530%0.296CS..EExtended strand (participates in β ladder)trans-127103.6-173.6178.5-178.3-69.3162.60108.8Y391 A440 M442Y391-K393 HydrophobicContact CE2-CB 4.37Å; Y391-K393 WeakPolarHBondContact OH-CE 3.5Å; Y391-K393 PolarHBondContact OH-NZ 3.14Å; K393-A440 HydrophobicContact CB-CB 4.4Å; K393-A440 PolarHBondContact N-O 3.38Å; K393-A440 PolarHBondContact O-N 3.45Å; K393-M442 HydrophobicContact CB-CG 3.88Å; K393-M442 HydrophobicContact CD-CG 4.03Å; K393-M442 HydrophobicContact CD-SD 3.93Å; K393-M442 PolarHBondContact NZ-SD 3.44Å
394V98.3Very high90.8Very high0 Ų056.1 Ų56.10%030%0.297CS..EExtended strand (participates in β ladder)trans-97.8128.1-179.2-171.80000109.9I371 I373 V392 K405 R406 I423 F425 L437 I439I371-V394 HydrophobicContact CD1-CG1 4.45Å; I371-V394 HydrophobicContact CD1-CG2 4.45Å; I371-V394 HydrophobicContact CG2-CG1 4.22Å; I373-V394 HydrophobicContact CD1-CG2 4.02Å; I373-V394 HydrophobicContact CG1-CG2 4.45Å; V392-V394 HydrophobicContact CG1-CG2 4.35Å; V394-K405 WeakPolarHBondContact O-CA 3.25Å; V394-R406 PolarHBondContact N-O 3.32Å; V394-R406 PolarHBondContact O-N 3.31Å; V394-I423 HydrophobicContact CB-CD1 4.28Å; V394-I423 HydrophobicContact CG2-CD1 3.81Å; V394-F425 HydrophobicContact CB-CE2 4.39Å; V394-F425 HydrophobicContact CB-CZ 4.23Å; V394-F425 HydrophobicContact CG1-CE2 3.68Å; V394-F425 HydrophobicContact CG1-CZ 3.82Å; V394-L437 HydrophobicContact CG1-CB 4.38Å; V394-L437 HydrophobicContact CG1-CD1 4.43Å; V394-L437 HydrophobicContact CG1-CD2 4.31Å; V394-I439 HydrophobicContact CG1-CG1 4.26Å; V394-I439 HydrophobicContact CG2-CG1 4.45Å; V394-I439 HydrophobicContact CG2-CG2 4.43Å
395S97.7Very high92.1Very high13 Ų1351.8 Ų51.89%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-121.1120.2178.4-57.90000109.8K404 L437 S438S395-K404 WeakPolarHBondContact CA-O 3.25Å; S395-L437 WeakPolarHBondContact O-CA 3.31Å; S395-S438 PolarHBondContact N-O 3.35Å; S395-S438 PolarHBondContact O-N 3.38Å
396L97.4Very high93.4Very high8 Ų853.2 Ų53.24%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-77.1125.9167.4176.665.3000108.8R402 L403 K404 F425 V427 I435 L437L396-R402 CarbonylContact O-C 3.54Å; L396-L403 HydrophobicContact CD2-CB 4.29Å; L396-L403 HydrophobicContact CD2-CD1 4.43Å; L396-L403 HydrophobicContact CG-CB 4.29Å; L396-L403 HydrophobicContact CG-CD1 4.45Å; L396-L403 PolarHBondContact O-N 3.35Å; L396-K404 HydrophobicContact CB-CB 4.14Å; L396-K404 HydrophobicContact CD2-CB 4.17Å; L396-K404 PolarHBondContact N-O 3.01Å; L396-K404 PolarHBondContact O-N 3.22Å; L396-F425 HydrophobicContact CB-CD1 3.89Å; L396-F425 HydrophobicContact CB-CE1 3.89Å; L396-F425 HydrophobicContact CB-CG 4.44Å; L396-F425 HydrophobicContact CB-CZ 4.43Å; L396-F425 HydrophobicContact CD2-CB 4.32Å; L396-F425 HydrophobicContact CD2-CD1 4.09Å; L396-F425 HydrophobicContact CD2-CG 4.41Å; L396-V427 HydrophobicContact CD1-CG2 4.45Å; L396-V427 HydrophobicContact CD2-CG2 4.26Å; L396-I435 HydrophobicContact CD1-CB 3.91Å; L396-I435 HydrophobicContact CD1-CD1 3.51Å; L396-I435 HydrophobicContact CD1-CG1 4.33Å; L396-I435 HydrophobicContact CD1-CG2 4.1Å; L396-L437 HydrophobicContact CB-CD2 4.22Å; L396-L437 HydrophobicContact CD1-CD2 3.85Å
397M95.7Very high94.6Very high27 Ų2757.8 Ų57.813%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-123.8148.5-173.6-55-63.8-62.100110.6G400 R401 R402 I435 H436M397-G400 VanDerWaalsContact CE-O 3.25Å; M397-G400 WeakPolarHBondContact CE-O 3.26Å; M397-R401 CarbonylContact C-O 3.57Å; M397-R401 VanDerWaalsContact CA-O 3.29Å; M397-R401 WeakPolarHBondContact CA-O 3.49Å; M397-R402 HydrophobicContact CE-CB 4.04Å; M397-R402 HydrophobicContact SD-CB 3.53Å; M397-R402 VanDerWaalsContact SD-CB 3.53Å; M397-R402 HydrophobicContact SD-CG 3.72Å; M397-I435 CarbonylContact O-C 3.55Å; M397-I435 WeakPolarHBondContact O-CA 3Å; M397-I435 WeakPolarHBondContact O-CB 3.43Å; M397-H436 VanDerWaalsContact CB-CE1 3.43Å; M397-H436 WeakPolarHBondContact CB-CE1 3.34Å; M397-H436 VanDerWaalsContact CB-NE2 3.26Å; M397-H436 WeakPolarHBondContact CB-NE2 3.36Å; M397-H436 WeakPolarHBondContact CB-O 3.2Å; M397-H436 PolarHBondContact N-O 2.92Å; M397-H436 PolarHBondContact O-N 3.22Å
398C93.4Very high95.3Very high17 Ų1757.6 Ų57.612%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-148.6129.8172.1-167.90000107.4G400 R401 L403 I435C398-G400 PolarHBondContact O-N 3.18Å; C398-G400 VanDerWaalsContact O-N 3.13Å; C398-R401 PolarHBondContact N-O 3.31Å; C398-R401 WeakPolarHBondContact O-CA 3.01Å; C398-R401 WeakPolarHBondContact O-CB 3.43Å; C398-R401 PolarHBondContact O-N 3.38Å; C398-R401 VanDerWaalsContact O-O 3.13Å; C398-L403 HydrophobicContact CB-CD1 3.67Å; C398-L403 HydrophobicContact CB-CD2 4.28Å; C398-L403 HydrophobicContact CB-CG 3.96Å; C398-I435 HydrophobicContact CB-CG2 4.28Å
399D87.4Confident95.7Very high132 Ų13259.9 Ų59.971%0.70629%0.287SS*.THydrogen-bonded Turntrans47.542.2-178.9-51.3-48.9000114.5R401D399-R401 PolarHBondContact O-N 2.63Å
400G84.8Confident95.8Very high61 Ų6161.7 Ų61.763%0.62930%0.298SS*.THydrogen-bonded Turntrans70.7-8.6-175.300000115.5M397 C398M397-G400 VanDerWaalsContact CE-O 3.25Å; M397-G400 WeakPolarHBondContact CE-O 3.26Å; C398-G400 PolarHBondContact O-N 3.18Å; C398-G400 VanDerWaalsContact O-N 3.13Å
401R91.3Very high95.8Very high197 Ų19764.5 Ų64.574%0.74331%0.31SS*.EExtended strand (participates in β ladder)trans-85.7138.4176-59180177.8-170.2-0.6110.5M397 C398 D399M397-R401 CarbonylContact C-O 3.57Å; M397-R401 VanDerWaalsContact CA-O 3.29Å; M397-R401 WeakPolarHBondContact CA-O 3.49Å; C398-R401 PolarHBondContact N-O 3.31Å; C398-R401 WeakPolarHBondContact O-CA 3.01Å; C398-R401 WeakPolarHBondContact O-CB 3.43Å; C398-R401 PolarHBondContact O-N 3.38Å; C398-R401 VanDerWaalsContact O-O 3.13Å; D399-R401 PolarHBondContact O-N 2.63Å
402R95.2Very high95.6Very high153 Ų15371.8 Ų71.858%0.57734%0.338SS*.EExtended strand (participates in β ladder)trans-89108.5176.9-174.817665.4-137.4-8.2110.9L396 M397L396-R402 CarbonylContact O-C 3.54Å; M397-R402 HydrophobicContact CE-CB 4.04Å; M397-R402 HydrophobicContact SD-CB 3.53Å; M397-R402 VanDerWaalsContact SD-CB 3.53Å; M397-R402 HydrophobicContact SD-CG 3.72Å
403L94.9Very high95.3Very high109 Ų10976.8 Ų76.857%0.57136%0.364SS*.EExtended strand (participates in β ladder)trans-76.2-51.4-179.3-58.3-175.8000112.5L396 C398L396-L403 HydrophobicContact CD2-CB 4.29Å; L396-L403 HydrophobicContact CD2-CD1 4.43Å; L396-L403 HydrophobicContact CG-CB 4.29Å; L396-L403 HydrophobicContact CG-CD1 4.45Å; L396-L403 PolarHBondContact O-N 3.35Å; C398-L403 HydrophobicContact CB-CD1 3.67Å; C398-L403 HydrophobicContact CB-CD2 4.28Å; C398-L403 HydrophobicContact CB-CG 3.96Å
404K96.4Very high95Very high65 Ų6576.9 Ų76.928%0.28337%0.368SS..EExtended strand (participates in β ladder)trans-143.1147.1-172.1-159158.4178.6168.80109.8S395 L396 F425 D426S395-K404 WeakPolarHBondContact CA-O 3.25Å; L396-K404 HydrophobicContact CB-CB 4.14Å; L396-K404 HydrophobicContact CD2-CB 4.17Å; L396-K404 PolarHBondContact N-O 3.01Å; L396-K404 PolarHBondContact O-N 3.22Å; K404-F425 HydrophobicContact CB-CD1 3.99Å; K404-F425 HydrophobicContact CB-CE1 4.01Å; K404-F425 HydrophobicContact CD-CD1 4.12Å; K404-F425 HydrophobicContact CG-CD1 4.02Å; K404-F425 HydrophobicContact CG-CE1 4.08Å; K404-D426 IonicContact NZ-OD2 2.7Å; K404-D426 PolarHBondContact NZ-OD2 3.33Å
405K97.1Very high94.6Very high92 Ų9279.1 Ų79.140%0.438%0.38SS..EExtended strand (participates in β ladder)trans-139.7139.6-176.6179.6179.1163.5-168.90110.6V394V394-K405 WeakPolarHBondContact O-CA 3.25Å
406R98.3Very high94.5Very high128 Ų12882.7 Ų82.748%0.48340%0.398SS..EExtended strand (participates in β ladder)trans-140165.7175.8-66.1-64.7-178.5-107.214.8109.7V394 I423 F425V394-R406 PolarHBondContact N-O 3.32Å; V394-R406 PolarHBondContact O-N 3.31Å; R406-I423 HydrophobicContact CB-CD1 4.17Å; R406-I423 HydrophobicContact CB-CG1 4.4Å; R406-I423 HydrophobicContact CB-CG2 3.64Å; R406-I423 HydrophobicContact CG-CG2 3.89Å; R406-F425 HydrophobicContact CG-CE1 4.28Å; R406-F425 HydrophobicContact CG-CZ 4.4Å
407K97.6Very high94.5Very high140 Ų14082.4 Ų82.461%0.60940%0.397SS*.EExtended strand (participates in β ladder)trans-140.6155174.964.3165.7-174.5166.60110Y391 V392Y391-K407 HydrophobicContact CD2-CB 4.13Å; Y391-K407 HydrophobicContact CD2-CD 4.29Å; Y391-K407 HydrophobicContact CE2-CB 4.35Å; Y391-K407 HydrophobicContact CE2-CD 4.26Å; V392-K407 CarbonylContact O-C 3.58Å; V392-K407 WeakPolarHBondContact O-CA 3.4Å
408T98.4Very high94.6Very high4 Ų485 Ų853%0.02541%0.414CS..  trans-77.3175.7166.563.20000111I373 V392 Y419 E421 I423I373-T408 HydrophobicContact CB-CG2 3.95Å; I373-T408 HydrophobicContact CG1-CG2 3.87Å; I373-T408 HydrophobicContact CG2-CG2 4.14Å; V392-T408 HydrophobicContact CB-CG2 3.95Å; V392-T408 PolarHBondContact N-OG1 3.4Å; V392-T408 PolarHBondContact O-N 3.45Å; T408-Y419 HydrophobicContact CG2-CD1 4.17Å; T408-Y419 HydrophobicContact CG2-CG 4.47Å; T408-Y419 WeakPolarHBondContact OG1-CE1 3.38Å; T408-E421 WeakPolarHBondContact CA-OE2 3.36Å; T408-E421 WeakPolarHBondContact CB-OE2 3.33Å; T408-E421 HydrophobicContact CG2-CB 4.13Å; T408-I423 HydrophobicContact CG2-CD1 4.37Å
409S98Very high94.8Very high49 Ų4984.8 Ų84.834%0.34341%0.411SS..PPolyproline II helixtrans-60.9158.1156.673.80000111.6K411 Y419 E421S409-K411 PolarHBondContact OG-NZ 3.11Å; S409-Y419 WeakPolarHBondContact O-CE1 3.17Å; S409-E421 WeakPolarHBondContact CB-OE1 3.49Å; S409-E421 PolarHBondContact N-OE1 2.92Å; S409-E421 PolarHBondContact N-OE2 2.75Å; S409-E421 PolarHBondContact OG-OE1 3.13Å
410T97.4Very high95.3Very high46 Ų4683.6 Ų83.628%0.28240%0.404SS..PPolyproline II helixtrans-89.4129.8172.7-57.20000109.4D389 P390 Y444D389-T410 HydrophobicContact CB-CG2 4.11Å; D389-T410 VanDerWaalsContact O-CG2 3.26Å; D389-T410 WeakPolarHBondContact O-CG2 3.3Å; P390-T410 WeakPolarHBondContact O-CA 3.23Å; T410-Y444 HydrophobicContact CG2-CD1 4.33Å; T410-Y444 HydrophobicContact CG2-CG 4.14Å
411K97.4Very high96Very high58 Ų5882.8 Ų82.825%0.25238%0.384SS..PPolyproline II helixtrans-97.8142.8167.3-51.7-44.6-169.3-161.90108D389 P390 S409 T414 P417 V418 Y419 E421D389-K411 CarbonylContact C-O 3.46Å; D389-K411 VanDerWaalsContact CA-O 3.22Å; D389-K411 WeakPolarHBondContact CA-O 3.3Å; P390-K411 WeakPolarHBondContact CD-O 3.05Å; P390-K411 VanDerWaalsContact N-O 3.1Å; P390-K411 PolarHBondContact O-N 2.82Å; S409-K411 PolarHBondContact OG-NZ 3.11Å; K411-T414 HydrophobicContact CB-CG2 3.87Å; K411-P417 HydrophobicContact CB-CB 3.94Å; K411-P417 HydrophobicContact CG-CB 3.83Å; K411-V418 WeakPolarHBondContact CE-O 3.24Å; K411-Y419 HydrophobicContact CD-CD1 4.49Å; K411-Y419 HydrophobicContact CG-CD1 4.13Å; K411-Y419 HydrophobicContact CG-CE1 3.9Å; K411-E421 IonicContact NZ-OE1 2.79Å; K411-E421 PolarHBondContact NZ-OE1 3.47Å
412R94.4Very high96.3Very high170 Ų17076.7 Ų76.764%0.64238%0.376SS*.PPolyproline II helixtrans-99.6146.2-173.9-66.3-171.9173154.8-0.1113.1D389 T414D389-R412 WeakPolarHBondContact OD1-CA 3.33Å; D389-R412 VanDerWaalsContact OD1-CB 3.3Å; D389-R412 WeakPolarHBondContact OD1-CB 3.4Å; R412-T414 VanDerWaalsContact C-N 3.34Å; R412-T414 PolarHBondContact O-N 3.26Å
413N91.4Very high96.4Very high105 Ų10570 Ų7056%0.56135%0.352SS*.SBendtrans45.951.3169.6-167.971.8000113.2A387 S388 D389A387-N413 WeakPolarHBondContact CB-OD1 3.43Å; S388-N413 CarbonylContact O-C 3.54Å; S388-N413 VanDerWaalsContact O-CA 3.23Å; S388-N413 WeakPolarHBondContact O-CA 3.4Å; S388-N413 PolarHBondContact O-N 3.1Å; S388-N413 VanDerWaalsContact O-N 3.08Å; D389-N413 PolarHBondContact OD1-N 3.09Å
414T91.7Very high96.6Very high40 Ų4067.4 Ų67.425%0.24534%0.34CS..  trans-148.7136.8-175.7-177.10000113.6S388 P390 K411 R412 N416 P417S388-T414 PolarHBondContact O-N 3.28Å; P390-T414 VanDerWaalsContact CD-O 3.31Å; P390-T414 WeakPolarHBondContact CD-O 3.29Å; P390-T414 HydrophobicContact CG-CG2 4.12Å; P390-T414 WeakPolarHBondContact CG-O 3.49Å; K411-T414 HydrophobicContact CB-CG2 3.87Å; R412-T414 VanDerWaalsContact C-N 3.34Å; R412-T414 PolarHBondContact O-N 3.26Å; T414-N416 PolarHBondContact OG1-N 2.89Å; T414-N416 VanDerWaalsContact OG1-N 3.14Å; T414-P417 HydrophobicContact CG2-CB 3.96Å
415L91.3Very high96.6Very high47 Ų4764.3 Ų64.325%0.24633%0.326CS..SBendtrans-97.5-0.1172.6-53.4-178.3000112.8R377 N378 L379 A381 P417R377-L415 CarbonylContact C-O 3.39Å; N378-L415 PolarHBondContact N-O 3Å; L379-L415 HydrophobicContact CB-CB 4.32Å; L379-L415 HydrophobicContact CB-CD2 4.43Å; L379-L415 WeakPolarHBondContact CB-O 3.5Å; L379-L415 PolarHBondContact N-O 2.92Å; L379-L415 WeakPolarHBondContact O-CD2 3.41Å; A381-L415 HydrophobicContact CB-CD1 4.12Å; A381-L415 HydrophobicContact CB-CD2 4.09Å; L415-P417 VanDerWaalsContact C-CD 3.48Å
416N94.5Very high96.6Very high88 Ų8864.8 Ų64.847%0.47133%0.333SS..SBendtrans-133.958.5-179.7-58.9-78.6000111A376 R377 N378 T414A376-N416 CarbonylContact O-C 3.55Å; A376-N416 WeakPolarHBondContact O-CA 3.36Å; R377-N416 WeakPolarHBondContact CA-OD1 3.44Å; R377-N416 WeakPolarHBondContact CB-OD1 3.19Å; N378-N416 PolarHBondContact N-OD1 3.49Å; T414-N416 PolarHBondContact OG1-N 2.89Å; T414-N416 VanDerWaalsContact OG1-N 3.14Å
417P97.3Very high96.5Very high3 Ų358.9 Ų58.92%0.01931%0.311CS..  trans-69.3140.2-176.830-37.4000112.3K375 A376 L379 P390 K411 T414 L415 Y419K375-P417 CarbonylContact C-O 3.51Å; K375-P417 WeakPolarHBondContact CA-O 3.11Å; K375-P417 WeakPolarHBondContact CB-O 3.38Å; A376-P417 HydrophobicContact CB-CG 3.9Å; A376-P417 PolarHBondContact N-O 3.35Å; L379-P417 HydrophobicContact CD1-CG 3.77Å; P390-P417 HydrophobicContact CB-CG 4.3Å; P390-P417 HydrophobicContact CG-CB 3.93Å; P390-P417 HydrophobicContact CG-CG 3.69Å; K411-P417 HydrophobicContact CB-CB 3.94Å; K411-P417 HydrophobicContact CG-CB 3.83Å; T414-P417 HydrophobicContact CG2-CB 3.96Å; L415-P417 VanDerWaalsContact C-CD 3.48Å; P417-Y419 HydrophobicContact CB-CD2 4.47Å; P417-Y419 HydrophobicContact CB-CE1 4.41Å; P417-Y419 HydrophobicContact CB-CE2 3.76Å; P417-Y419 HydrophobicContact CG-CE2 3.63Å; P417-Y419 WeakPolarHBondContact CG-OH 3.49Å
418V98.2Very high96.4Very high80 Ų8054.9 Ų54.949%0.48530%0.3SS..EExtended strand (participates in β ladder)trans-107.9129.2167-179.50000108K375 K411K375-V418 HydrophobicContact CB-CB 4.37Å; K375-V418 HydrophobicContact CB-CG1 4.49Å; K375-V418 HydrophobicContact CB-CG2 4.01Å; K411-V418 WeakPolarHBondContact CE-O 3.24Å
419Y98.3Very high96.2Very high14 Ų1457.3 Ų57.36%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-109.5-57.7-177.6-58.6-86.7000111.2I373 I374 P390 V392 T408 S409 K411 P417 E421I373-Y419 HydrophobicContact CG2-CD2 3.61Å; I373-Y419 HydrophobicContact CG2-CE2 4.21Å; I373-Y419 HydrophobicContact CG2-CG 3.95Å; I373-Y419 WeakPolarHBondContact O-CB 3.27Å; I374-Y419 PolarHBondContact O-N 2.84Å; P390-Y419 PolarHBondContact O-OH 3.38Å; V392-Y419 HydrophobicContact CG2-CD2 4.41Å; V392-Y419 HydrophobicContact CG2-CE1 4.38Å; V392-Y419 HydrophobicContact CG2-CE2 3.74Å; T408-Y419 HydrophobicContact CG2-CD1 4.17Å; T408-Y419 HydrophobicContact CG2-CG 4.47Å; T408-Y419 WeakPolarHBondContact OG1-CE1 3.38Å; S409-Y419 WeakPolarHBondContact O-CE1 3.17Å; K411-Y419 HydrophobicContact CD-CD1 4.49Å; K411-Y419 HydrophobicContact CG-CD1 4.13Å; K411-Y419 HydrophobicContact CG-CE1 3.9Å; P417-Y419 HydrophobicContact CB-CD2 4.47Å; P417-Y419 HydrophobicContact CB-CE1 4.41Å; P417-Y419 HydrophobicContact CB-CE2 3.76Å; P417-Y419 HydrophobicContact CG-CE2 3.63Å; P417-Y419 WeakPolarHBondContact CG-OH 3.49Å; Y419-E421 VanDerWaalsContact C-N 3.25Å; Y419-E421 PolarHBondContact O-N 2.9Å
420N97.8Very high96Very high106 Ų10661.5 Ų61.557%0.56733%0.33SS*.EExtended strand (participates in β ladder)trans54.437.1-168.8-58.1-31.9000113.5I373 I374I373-N420 CarbonylContact O-C 3.6Å; I373-N420 VanDerWaalsContact O-CA 3.26Å; I373-N420 WeakPolarHBondContact O-CA 3.49Å; I373-N420 PolarHBondContact O-N 3.31Å; I374-N420 PolarHBondContact O-N 3.01Å; I374-N420 VanDerWaalsContact O-N 3.09Å; I374-N420 PolarHBondContact O-OD1 2.97Å
421E98.5Very high95.8Very high45 Ų4562.7 Ų62.721%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-104.8118.5-172.5-71.9175.5-126.700111.6T372 I373 T408 S409 K411 Y419T372-E421 WeakPolarHBondContact CA-O 3.29Å; I373-E421 PolarHBondContact N-O 3.04Å; I373-E421 PolarHBondContact O-N 3.11Å; T408-E421 WeakPolarHBondContact CA-OE2 3.36Å; T408-E421 WeakPolarHBondContact CB-OE2 3.33Å; T408-E421 HydrophobicContact CG2-CB 4.13Å; S409-E421 WeakPolarHBondContact CB-OE1 3.49Å; S409-E421 PolarHBondContact N-OE1 2.92Å; S409-E421 PolarHBondContact N-OE2 2.75Å; S409-E421 PolarHBondContact OG-OE1 3.13Å; K411-E421 IonicContact NZ-OE1 2.79Å; K411-E421 PolarHBondContact NZ-OE1 3.47Å; Y419-E421 VanDerWaalsContact C-N 3.25Å; Y419-E421 PolarHBondContact O-N 2.9Å
422A98.1Very high95.6Very high68 Ų6860.5 Ų60.556%0.56233%0.325SS*.EExtended strand (participates in β ladder)trans-84.4125176.700000112T370 T372T370-A422 HydrophobicContact CG2-CB 4.42Å; T372-A422 HydrophobicContact CG2-CB 4.4Å
423I98.3Very high95.5Very high14 Ų1457.1 Ų57.17%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-111.7129.5173.8-67.2172.9000108I371 I373 V394 R406 T408 F425I371-I423 HydrophobicContact CG2-CB 3.95Å; I371-I423 HydrophobicContact CG2-CG2 4.17Å; I371-I423 PolarHBondContact N-O 3.37Å; I371-I423 PolarHBondContact O-N 2.92Å; I373-I423 HydrophobicContact CG1-CD1 4.38Å; V394-I423 HydrophobicContact CB-CD1 4.28Å; V394-I423 HydrophobicContact CG2-CD1 3.81Å; R406-I423 HydrophobicContact CB-CD1 4.17Å; R406-I423 HydrophobicContact CB-CG1 4.4Å; R406-I423 HydrophobicContact CB-CG2 3.64Å; R406-I423 HydrophobicContact CG-CG2 3.89Å; T408-I423 HydrophobicContact CG2-CD1 4.37Å; I423-F425 HydrophobicContact CG2-CD2 4.21Å; I423-F425 HydrophobicContact CG2-CE2 3.52Å; I423-F425 HydrophobicContact CG2-CZ 3.73Å
424V97.9Very high95.5Very high54 Ų5457.2 Ų57.233%0.32732%0.317SS..EExtended strand (participates in β ladder)trans-112.4137.5-177.8-178.70000110.6R368 L369 T370R368-V424 HydrophobicContact CG-CG1 3.49Å; R368-V424 VanDerWaalsContact CG-CG1 3.49Å; L369-V424 WeakPolarHBondContact O-CA 3.47Å; T370-V424 HydrophobicContact CG2-CG2 4.13Å
425F97.8Very high95.7Very high0 Ų055.7 Ų55.70%031%0.307CS..EExtended strand (participates in β ladder)trans-126.6138.6171.6-62.5-79.3000110.3L369 I371 V394 L396 K404 R406 I423 V427 L437L369-F425 HydrophobicContact CB-CB 4.38Å; L369-F425 PolarHBondContact N-O 2.84Å; L369-F425 PolarHBondContact O-N 3.01Å; I371-F425 HydrophobicContact CG2-CD2 4.36Å; I371-F425 HydrophobicContact CG2-CE2 3.97Å; V394-F425 HydrophobicContact CB-CE2 4.39Å; V394-F425 HydrophobicContact CB-CZ 4.23Å; V394-F425 HydrophobicContact CG1-CE2 3.68Å; V394-F425 HydrophobicContact CG1-CZ 3.82Å; L396-F425 HydrophobicContact CB-CD1 3.89Å; L396-F425 HydrophobicContact CB-CE1 3.89Å; L396-F425 HydrophobicContact CB-CG 4.44Å; L396-F425 HydrophobicContact CB-CZ 4.43Å; L396-F425 HydrophobicContact CD2-CB 4.32Å; L396-F425 HydrophobicContact CD2-CD1 4.09Å; L396-F425 HydrophobicContact CD2-CG 4.41Å; K404-F425 HydrophobicContact CB-CD1 3.99Å; K404-F425 HydrophobicContact CB-CE1 4.01Å; K404-F425 HydrophobicContact CD-CD1 4.12Å; K404-F425 HydrophobicContact CG-CD1 4.02Å; K404-F425 HydrophobicContact CG-CE1 4.08Å; R406-F425 HydrophobicContact CG-CE1 4.28Å; R406-F425 HydrophobicContact CG-CZ 4.4Å; I423-F425 HydrophobicContact CG2-CD2 4.21Å; I423-F425 HydrophobicContact CG2-CE2 3.52Å; I423-F425 HydrophobicContact CG2-CZ 3.73Å; F425-V427 HydrophobicContact CB-CG2 4.08Å; F425-L437 HydrophobicContact CD2-CD2 4.11Å; F425-L437 HydrophobicContact CE2-CD2 4.01Å
426D96.8Very high96Very high101 Ų10155.4 Ų55.454%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-90.4111.6176.8-30.2-83.5000107G367 K404G367-D426 CarbonylContact O-C 3.51Å; G367-D426 WeakPolarHBondContact O-CA 3.23Å; K404-D426 IonicContact NZ-OD2 2.7Å; K404-D426 PolarHBondContact NZ-OD2 3.33Å
427V96.1Very high96.1Very high4 Ų451.2 Ų51.22%0.02428%0.282CS..  trans-137.899.9-171.7-178.80000108.1Y362 G367 L369 L396 F425 I432 I435Y362-V427 HydrophobicContact CE2-CB 4.29Å; Y362-V427 WeakPolarHBondContact CE2-O 3.42Å; Y362-V427 PolarHBondContact OH-O 3.4Å; G367-V427 CarbonylContact C-O 3.34Å; G367-V427 WeakPolarHBondContact CA-O 3.42Å; G367-V427 CarbonylContact O-C 3.55Å; G367-V427 PolarHBondContact O-N 3.44Å; G367-V427 VanDerWaalsContact O-O 3.11Å; L369-V427 HydrophobicContact CB-CB 4.35Å; L369-V427 HydrophobicContact CB-CG2 3.96Å; L369-V427 HydrophobicContact CD2-CG2 4.17Å; L396-V427 HydrophobicContact CD1-CG2 4.45Å; L396-V427 HydrophobicContact CD2-CG2 4.26Å; F425-V427 HydrophobicContact CB-CG2 4.08Å; V427-I432 HydrophobicContact CG1-CD1 3.78Å; V427-I435 HydrophobicContact CB-CD1 4.36Å; V427-I435 HydrophobicContact CG1-CD1 3.57Å; V427-I435 HydrophobicContact CG1-CG1 4.3Å; V427-I435 HydrophobicContact CG2-CD1 3.85Å
428P95.6Very high96Very high57 Ų5752.4 Ų52.437%0.3729%0.291SS..  trans-58147.5172.6-24.234.8000112.1E430 N431P428-E430 WeakPolarHBondContact CB-OE2 3.29Å; P428-E430 PolarHBondContact O-N 2.84Å; P428-E430 VanDerWaalsContact O-N 3.15Å; P428-N431 PolarHBondContact O-N 3.36Å
429P93.9Very high96Very high54 Ų5448.6 Ų48.635%0.35127%0.268SS..G310 helixtrans-55.5-31.2-177.9-27.336.4000114.2Y362 P364 N431 I432Y362-P429 VanDerWaalsContact OH-CA 3.32Å; Y362-P429 WeakPolarHBondContact OH-CA 3.33Å; P364-P429 HydrophobicContact CB-CG 4.29Å; P364-P429 WeakPolarHBondContact O-CG 3.43Å; P429-N431 PolarHBondContact O-N 3.35Å; P429-I432 VanDerWaalsContact O-CG2 3.22Å; P429-I432 WeakPolarHBondContact O-CG2 3.36Å; P429-I432 PolarHBondContact O-N 3.42Å
430E93.9Very high96Very high138 Ų13848.6 Ų48.665%0.64527%0.27SS*.G310 helixtrans-67.4-21-178.4-52.571.7-154.600112.5P428P428-E430 WeakPolarHBondContact CB-OE2 3.29Å; P428-E430 PolarHBondContact O-N 2.84Å; P428-E430 VanDerWaalsContact O-N 3.15Å
431N93.3Very high96Very high70 Ų7043.5 Ų43.537%0.37424%0.243SC..G310 helixtrans-105-5.6-176.2-62.7-22.8000113P428 P429 D433 Q434P428-N431 PolarHBondContact O-N 3.36Å; P429-N431 PolarHBondContact O-N 3.35Å; N431-D433 VanDerWaalsContact C-N 3.25Å; N431-D433 PolarHBondContact O-N 2.86Å; N431-Q434 PolarHBondContact O-N 2.94Å
432I93.1Very high95.9Very high12 Ų1241.7 Ų41.76%0.06224%0.235CC..THydrogen-bonded Turntrans-62.4-32-169.4-163.559.4000113Y362 V427 P429 I435 W470 L474Y362-I432 HydrophobicContact CD1-CD1 4.19Å; Y362-I432 HydrophobicContact CD1-CG1 4.27Å; Y362-I432 HydrophobicContact CD2-CD1 3.99Å; Y362-I432 HydrophobicContact CE1-CB 4.5Å; Y362-I432 HydrophobicContact CE1-CD1 4.03Å; Y362-I432 HydrophobicContact CE1-CG1 3.99Å; Y362-I432 HydrophobicContact CE2-CD1 3.83Å; Y362-I432 HydrophobicContact CG-CD1 4.19Å; V427-I432 HydrophobicContact CG1-CD1 3.78Å; P429-I432 VanDerWaalsContact O-CG2 3.22Å; P429-I432 WeakPolarHBondContact O-CG2 3.36Å; P429-I432 PolarHBondContact O-N 3.42Å; I432-I435 HydrophobicContact CD1-CD1 4.21Å; I432-I435 VanDerWaalsContact O-CG1 3.31Å; I432-I435 WeakPolarHBondContact O-CG1 3.45Å; I432-W470 HydrophobicContact CD1-CH2 4.42Å; I432-W470 HydrophobicContact CD1-CZ2 3.92Å; I432-W470 HydrophobicContact CG1-CZ2 4.41Å; I432-L474 HydrophobicContact CD1-CD2 4.41Å; I432-L474 HydrophobicContact CG1-CD2 3.66Å
433D91.7Very high95.7Very high100 Ų10038.5 Ų38.554%0.53521%0.208SC..THydrogen-bonded Turntrans-83.8-18.4-177.6-68.1-53.9000114.3N431 N460N431-D433 VanDerWaalsContact C-N 3.25Å; N431-D433 PolarHBondContact O-N 2.86Å; D433-N460 VanDerWaalsContact CA-ND2 3.32Å; D433-N460 WeakPolarHBondContact CA-ND2 3.47Å; D433-N460 WeakPolarHBondContact CB-ND2 3.41Å; D433-N460 PolarHBondContact O-ND2 2.9Å; D433-N460 PolarHBondContact OD1-ND2 3.49Å
434Q92.6Very high95.5Very high107 Ų10742.1 Ų42.150%0.522%0.222SC..THydrogen-bonded Turntrans-89.8-15.8-178.7-60.9171.63800112.1N431N431-Q434 PolarHBondContact O-N 2.94Å
435I95.6Very high94.9Very high7 Ų741.6 Ų41.64%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-96.7158.9-175.863.7151.7000113.5L369 L396 M397 C398 V427 I432 W470L369-I435 HydrophobicContact CD2-CD1 4.01Å; L396-I435 HydrophobicContact CD1-CB 3.91Å; L396-I435 HydrophobicContact CD1-CD1 3.51Å; L396-I435 HydrophobicContact CD1-CG1 4.33Å; L396-I435 HydrophobicContact CD1-CG2 4.1Å; M397-I435 CarbonylContact O-C 3.55Å; M397-I435 WeakPolarHBondContact O-CA 3Å; M397-I435 WeakPolarHBondContact O-CB 3.43Å; C398-I435 HydrophobicContact CB-CG2 4.28Å; V427-I435 HydrophobicContact CB-CD1 4.36Å; V427-I435 HydrophobicContact CG1-CD1 3.57Å; V427-I435 HydrophobicContact CG1-CG1 4.3Å; V427-I435 HydrophobicContact CG2-CD1 3.85Å; I432-I435 HydrophobicContact CD1-CD1 4.21Å; I432-I435 VanDerWaalsContact O-CG1 3.31Å; I432-I435 WeakPolarHBondContact O-CG1 3.45Å; I435-W470 HydrophobicContact CD1-CH2 3.78Å; I435-W470 HydrophobicContact CD1-CZ2 3.97Å; I435-W470 HydrophobicContact CG1-CH2 4.23Å; I435-W470 HydrophobicContact CG1-CZ2 3.98Å
436H95.9Very high93.9Very high42 Ų4250 Ų5019%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-142.6159.2162.260.4-86.4000110.5M397 V458M397-H436 VanDerWaalsContact CB-CE1 3.43Å; M397-H436 WeakPolarHBondContact CB-CE1 3.34Å; M397-H436 VanDerWaalsContact CB-NE2 3.26Å; M397-H436 WeakPolarHBondContact CB-NE2 3.36Å; M397-H436 WeakPolarHBondContact CB-O 3.2Å; M397-H436 PolarHBondContact N-O 2.92Å; M397-H436 PolarHBondContact O-N 3.22Å; H436-V458 CarbonylContact C-O 3.16Å; H436-V458 WeakPolarHBondContact CA-O 3.36Å; H436-V458 WeakPolarHBondContact CB-O 3.06Å
437L97.1Very high92.8Very high0 Ų051.9 Ų51.90%026%0.264CS..EExtended strand (participates in β ladder)trans-99.7120.8169.4-57.2179.5000109.5L360 L369 I371 V394 S395 L396 F425 I439 Q457 V458 W470L360-L437 HydrophobicContact CD2-CD1 4.06Å; L369-L437 HydrophobicContact CD2-CD1 4.16Å; L369-L437 HydrophobicContact CD2-CD2 4.13Å; L369-L437 HydrophobicContact CD2-CG 4.31Å; I371-L437 HydrophobicContact CB-CD1 4.21Å; I371-L437 HydrophobicContact CD1-CD1 3.93Å; I371-L437 HydrophobicContact CG2-CD1 4.14Å; V394-L437 HydrophobicContact CG1-CB 4.38Å; V394-L437 HydrophobicContact CG1-CD1 4.43Å; V394-L437 HydrophobicContact CG1-CD2 4.31Å; S395-L437 WeakPolarHBondContact O-CA 3.31Å; L396-L437 HydrophobicContact CB-CD2 4.22Å; L396-L437 HydrophobicContact CD1-CD2 3.85Å; F425-L437 HydrophobicContact CD2-CD2 4.11Å; F425-L437 HydrophobicContact CE2-CD2 4.01Å; L437-I439 HydrophobicContact CB-CG1 4.33Å; L437-Q457 WeakPolarHBondContact O-CA 3.19Å; L437-V458 HydrophobicContact CB-CG2 3.76Å; L437-V458 HydrophobicContact CD1-CG2 4.19Å; L437-V458 HydrophobicContact CG-CG2 4.28Å; L437-V458 PolarHBondContact N-O 3.44Å; L437-V458 PolarHBondContact O-N 3.26Å; L437-V458 VanDerWaalsContact O-N 3.09Å; L437-W470 HydrophobicContact CD1-CZ3 4.27Å; L437-W470 HydrophobicContact CG-CZ3 4.14Å
438S96.1Very high91.8Very high28 Ų2854.5 Ų54.520%0.19629%0.291CS..EExtended strand (participates in β ladder)trans-93.3118.7165.8-179.40000108.9S395S395-S438 PolarHBondContact N-O 3.35Å; S395-S438 PolarHBondContact O-N 3.38Å
439I97.8Very high91.1Very high0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-115.4116.5-173.2-56.5163.4000107.8L356 F358 I371 V392 V394 L437 V455 C456 V458L356-I439 HydrophobicContact CD2-CG2 3.54Å; F358-I439 HydrophobicContact CD1-CD1 4.24Å; F358-I439 HydrophobicContact CD2-CD1 4.34Å; F358-I439 HydrophobicContact CE1-CD1 3.71Å; F358-I439 HydrophobicContact CE2-CD1 3.84Å; F358-I439 HydrophobicContact CZ-CD1 3.49Å; F358-I439 VanDerWaalsContact CZ-CD1 3.49Å; I371-I439 HydrophobicContact CD1-CD1 3.59Å; I371-I439 HydrophobicContact CD1-CG1 4.2Å; V392-I439 HydrophobicContact CG1-CG2 3.68Å; V394-I439 HydrophobicContact CG1-CG1 4.26Å; V394-I439 HydrophobicContact CG2-CG1 4.45Å; V394-I439 HydrophobicContact CG2-CG2 4.43Å; L437-I439 HydrophobicContact CB-CG1 4.33Å; I439-V455 CarbonylContact O-C 3.57Å; I439-V455 VanDerWaalsContact O-CA 3.32Å; I439-V455 WeakPolarHBondContact O-CA 3.04Å; I439-C456 PolarHBondContact N-O 2.8Å; I439-C456 PolarHBondContact O-N 3.32Å; I439-C456 VanDerWaalsContact O-O 3.12Å; I439-V458 HydrophobicContact CD1-CG2 4.15Å
440A97.6Very high90.7Very high13 Ų1360.4 Ų60.411%0.10731%0.311CS..EExtended strand (participates in β ladder)trans-114.1128.2178.100000110.7K393 M442 V455K393-A440 HydrophobicContact CB-CB 4.4Å; K393-A440 PolarHBondContact N-O 3.38Å; K393-A440 PolarHBondContact O-N 3.45Å; A440-M442 HydrophobicContact CB-SD 4.08Å; A440-V455 HydrophobicContact CB-CG1 3.86Å
441V97.9Very high90.5Very high0 Ų057.2 Ų57.20%030%0.296CS..EExtended strand (participates in β ladder)trans-87.7128.1164.7-171.70000107.6L356 L379 P390 V392 I453 G454 L487L356-V441 HydrophobicContact CD1-CG2 4.32Å; L356-V441 HydrophobicContact CD2-CG2 4.08Å; L379-V441 HydrophobicContact CD1-CG1 4.06Å; L379-V441 HydrophobicContact CD2-CG1 4.12Å; P390-V441 HydrophobicContact CB-CG1 4.46Å; V392-V441 HydrophobicContact CG2-CG2 4.23Å; V441-I453 HydrophobicContact CB-CB 4.42Å; V441-I453 HydrophobicContact CG1-CB 4.29Å; V441-I453 HydrophobicContact CG1-CD1 4.21Å; V441-I453 PolarHBondContact O-N 3.28Å; V441-G454 PolarHBondContact N-O 3.06Å; V441-G454 PolarHBondContact O-N 2.95Å; V441-L487 HydrophobicContact CB-CD1 4Å; V441-L487 HydrophobicContact CG2-CD1 3.62Å; V441-L487 HydrophobicContact CG2-CD2 3.79Å; V441-L487 HydrophobicContact CG2-CG 4.38Å
442M96.7Very high90.4Very high7 Ų757.5 Ų57.53%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-123.1150.1-170-59-70.7-35.100109.2P390 Y391 K393 A440 N450 E451 I452P390-M442 CarbonylContact C-O 3.43Å; P390-M442 VanDerWaalsContact CA-O 3.27Å; P390-M442 WeakPolarHBondContact CA-O 3.41Å; Y391-M442 HydrophobicContact CD1-CB 3.76Å; Y391-M442 HydrophobicContact CD2-CB 4.2Å; Y391-M442 HydrophobicContact CD2-CG 4.44Å; Y391-M442 HydrophobicContact CE1-CB 3.38Å; Y391-M442 HydrophobicContact CE1-CG 4.25Å; Y391-M442 HydrophobicContact CE2-CB 3.86Å; Y391-M442 HydrophobicContact CE2-CG 3.89Å; Y391-M442 HydrophobicContact CG-CB 4.15Å; Y391-M442 VanDerWaalsContact CZ-CB 3.42Å; Y391-M442 PolarHBondContact N-O 2.87Å; Y391-M442 WeakPolarHBondContact O-CB 3.29Å; Y391-M442 PolarHBondContact O-N 3.27Å; K393-M442 HydrophobicContact CB-CG 3.88Å; K393-M442 HydrophobicContact CD-CG 4.03Å; K393-M442 HydrophobicContact CD-SD 3.93Å; K393-M442 PolarHBondContact NZ-SD 3.44Å; A440-M442 HydrophobicContact CB-SD 4.08Å; M442-N450 HydrophobicContact CE-CB 4.18Å; M442-N450 VanDerWaalsContact CE-O 3.25Å; M442-N450 WeakPolarHBondContact CE-O 3.43Å; M442-E451 WeakPolarHBondContact CE-O 3.16Å; M442-I452 HydrophobicContact CE-CB 4.44Å; M442-I452 HydrophobicContact CE-CG1 3.7Å; M442-I452 HydrophobicContact SD-CB 4.45Å; M442-I452 HydrophobicContact SD-CG1 3.82Å
443D95.3Very high90.4Very high0 Ų057 Ų570%029%0.294CS..  trans-92.8159.6166.2-156.76.3000112.1M382 S388 D389 Y391 N450 E451 I453M382-D443 HydrophobicContact CB-CB 4.48Å; M382-D443 VanDerWaalsContact CB-OD2 3.24Å; M382-D443 WeakPolarHBondContact CB-OD2 3.5Å; S388-D443 WeakPolarHBondContact CB-OD1 3.38Å; D389-D443 VanDerWaalsContact C-OD1 3.3Å; D389-D443 WeakPolarHBondContact CA-OD1 3.43Å; D389-D443 PolarHBondContact N-OD1 2.59Å; Y391-D443 WeakPolarHBondContact CE1-O 3.43Å; D443-N450 WeakPolarHBondContact O-CB 3.3Å; D443-N450 PolarHBondContact O-ND2 2.9Å; D443-E451 PolarHBondContact N-O 2.87Å; D443-I453 HydrophobicContact CB-CD1 4.2Å; D443-I453 HydrophobicContact CB-CG1 4.13Å
444Y93.4Very high90.5Very high91 Ų9152.3 Ų52.336%0.35727%0.269SS..  trans-117.982.3176.2-178.3-97.9000112.9D389 T410 R446 N450D389-Y444 HydrophobicContact CB-CD1 4.48Å; D389-Y444 VanDerWaalsContact O-CB 3.29Å; D389-Y444 WeakPolarHBondContact O-CB 3.49Å; D389-Y444 PolarHBondContact O-N 2.96Å; D389-Y444 VanDerWaalsContact O-N 3.08Å; T410-Y444 HydrophobicContact CG2-CD1 4.33Å; T410-Y444 HydrophobicContact CG2-CG 4.14Å; Y444-R446 HydrophobicContact CE1-CG 4.14Å; Y444-R446 PolarHBondContact O-N 3.49Å; Y444-N450 WeakPolarHBondContact CA-ND2 3.45Å; Y444-N450 WeakPolarHBondContact CD2-ND2 3.34Å
445D85.8Confident90.6Very high43 Ų4347.8 Ų47.823%0.2325%0.249CC..  trans-59.5125.2165.6-50.5-101.4000111.2V447 N450 E451D445-V447 VanDerWaalsContact C-N 3.29Å; D445-N450 WeakPolarHBondContact OD2-CA 3.13Å; D445-N450 PolarHBondContact OD2-N 3.42Å; D445-E451 PolarHBondContact OD2-N 2.92Å
446R76.6Confident90.5Very high176 Ų17647.9 Ų47.966%0.66425%0.25SC*.SBendtrans-73.1-24.4170.4-59.2-174.9-167176.29.5112.7D389 Y444D389-R446 IonicContact OD2-NE 2.66Å; Y444-R446 HydrophobicContact CE1-CG 4.14Å; Y444-R446 PolarHBondContact O-N 3.49Å
447V73.6Confident90.4Very high141 Ų14150.3 Ų50.386%0.85526%0.262SS*.SBendtrans-140.997.6-177.4-178.50000107.6D445D445-V447 VanDerWaalsContact C-N 3.29Å
448G75.1Confident90.4Very high59 Ų5950.3 Ų50.361%0.60826%0.262SS*.SBendtrans142.9-143.5-177.700000113.2
449H79.5Confident90.3Very high170 Ų17049 Ų4979%0.78725%0.252SS*.  trans-132.3117180-69.2-31.2000110.7E451H449-E451 PolarHBondContact O-N 3.23Å
450N87.2Confident89.9Confident64 Ų6451.1 Ų51.134%0.34226%0.263SS..  trans-35100.1177.8-63.897.3000115M442 D443 Y444 D445M442-N450 HydrophobicContact CE-CB 4.18Å; M442-N450 VanDerWaalsContact CE-O 3.25Å; M442-N450 WeakPolarHBondContact CE-O 3.43Å; D443-N450 WeakPolarHBondContact O-CB 3.3Å; D443-N450 PolarHBondContact O-ND2 2.9Å; Y444-N450 WeakPolarHBondContact CA-ND2 3.45Å; Y444-N450 WeakPolarHBondContact CD2-ND2 3.34Å; D445-N450 WeakPolarHBondContact OD2-CA 3.13Å; D445-N450 PolarHBondContact OD2-N 3.42Å
451E88.9Confident89.3Confident72 Ų7257.9 Ų57.934%0.33629%0.293SS..  trans-72.2151.9178.5-64.6-138.8134.300112.8R315 M382 M442 D443 D445 H449R315-E451 IonicContact CZ-OE1 2.69Å; R315-E451 IonicContact NH2-OE1 3.19Å; R315-E451 PolarHBondContact NH2-OE1 3.27Å; R315-E451 IonicContact NH2-OE2 2.77Å; R315-E451 PolarHBondContact NH2-OE2 3.49Å; M382-E451 HydrophobicContact CE-CB 4Å; M382-E451 WeakPolarHBondContact CE-OE2 3.22Å; M442-E451 WeakPolarHBondContact CE-O 3.16Å; D443-E451 PolarHBondContact N-O 2.87Å; D445-E451 PolarHBondContact OD2-N 2.92Å; H449-E451 PolarHBondContact O-N 3.23Å
452I91.9Very high88.8Confident75 Ų7558.2 Ų58.239%0.38530%0.295SS..EExtended strand (participates in β ladder)trans-86.3121.5174.6-56.4179000108.2M442 V455 K490M442-I452 HydrophobicContact CE-CB 4.44Å; M442-I452 HydrophobicContact CE-CG1 3.7Å; M442-I452 HydrophobicContact SD-CB 4.45Å; M442-I452 HydrophobicContact SD-CG1 3.82Å; I452-V455 HydrophobicContact CG2-CG1 4.04Å; I452-K490 HydrophobicContact CD1-CB 4.42Å; I452-K490 HydrophobicContact CD1-CD 3.64Å; I452-K490 HydrophobicContact CD1-CG 4.49Å
453I92.3Very high88Confident3 Ų362.6 Ų62.62%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-74.5-47.4173.6-57.2-174.4000109.4L353 L379 K380 M382 P390 V441 D443L353-I453 WeakPolarHBondContact CD1-O 3.15Å; L379-I453 HydrophobicContact CB-CG2 4.45Å; L379-I453 HydrophobicContact CD1-CD1 4.48Å; L379-I453 HydrophobicContact CD2-CG2 4.38Å; K380-I453 HydrophobicContact CB-CG2 4.13Å; M382-I453 HydrophobicContact CG-CG1 3.99Å; P390-I453 HydrophobicContact CB-CD1 4.17Å; V441-I453 HydrophobicContact CB-CB 4.42Å; V441-I453 HydrophobicContact CG1-CB 4.29Å; V441-I453 HydrophobicContact CG1-CD1 4.21Å; V441-I453 PolarHBondContact O-N 3.28Å; D443-I453 HydrophobicContact CB-CD1 4.2Å; D443-I453 HydrophobicContact CB-CG1 4.13Å
454G93.3Very high87.4Confident1 Ų171.2 Ų71.21%0.0135%0.349CS..EExtended strand (participates in β ladder)trans179.5171.7176.300000112.7V441 V488V441-G454 PolarHBondContact N-O 3.06Å; V441-G454 PolarHBondContact O-N 2.95Å; G454-V488 WeakPolarHBondContact CA-O 3.26Å
455V94.3Very high87.2Confident12 Ų1271.6 Ų71.67%0.07336%0.356CS..EExtended strand (participates in β ladder)trans-130.1156.3-177.5-57.30000112.7I439 A440 I452 V488 K490I439-V455 CarbonylContact O-C 3.57Å; I439-V455 VanDerWaalsContact O-CA 3.32Å; I439-V455 WeakPolarHBondContact O-CA 3.04Å; A440-V455 HydrophobicContact CB-CG1 3.86Å; I452-V455 HydrophobicContact CG2-CG1 4.04Å; V455-V488 HydrophobicContact CG2-CG2 4.08Å; V455-V488 PolarHBondContact N-O 2.82Å; V455-V488 WeakPolarHBondContact O-CG2 3.33Å; V455-V488 PolarHBondContact O-N 3.21Å; V455-K490 HydrophobicContact CG1-CB 4.01Å; V455-K490 HydrophobicContact CG1-CG 4.14Å; V455-K490 HydrophobicContact CG2-CB 4.26Å
456C94.2Very high87.5Confident8 Ų869.6 Ų69.65%0.05435%0.346CS..EExtended strand (participates in β ladder)trans-141.5164.9163.956.90000109.8I439 H485 L487I439-C456 PolarHBondContact N-O 2.8Å; I439-C456 PolarHBondContact O-N 3.32Å; I439-C456 VanDerWaalsContact O-O 3.12Å; C456-H485 HydrophobicContact CB-CB 4.1Å; C456-L487 HydrophobicContact CB-CD2 4.36Å
457Q94.6Very high88.4Confident94 Ų9466.2 Ų66.244%0.43933%0.333SS..EExtended strand (participates in β ladder)trans-137.9145-178.5-57.3-171.914.400110.8L437 G466L437-Q457 WeakPolarHBondContact O-CA 3.19Å; Q457-G466 VanDerWaalsContact O-CA 3.31Å; Q457-G466 WeakPolarHBondContact O-CA 3.13Å
458V96.3Very high89.4Confident0 Ų063.7 Ų63.70%032%0.315CS..EExtended strand (participates in β ladder)trans-134.3138.8173-69.90000110.2F358 L360 H436 L437 I439 G466 W470F358-V458 HydrophobicContact CE2-CG1 3.93Å; F358-V458 HydrophobicContact CE2-CG2 4.32Å; F358-V458 HydrophobicContact CZ-CG1 3.66Å; L360-V458 HydrophobicContact CD1-CB 4.21Å; L360-V458 HydrophobicContact CD1-CG1 4.35Å; L360-V458 HydrophobicContact CD1-CG2 4.03Å; L360-V458 HydrophobicContact CD2-CG2 4.39Å; H436-V458 CarbonylContact C-O 3.16Å; H436-V458 WeakPolarHBondContact CA-O 3.36Å; H436-V458 WeakPolarHBondContact CB-O 3.06Å; L437-V458 HydrophobicContact CB-CG2 3.76Å; L437-V458 HydrophobicContact CD1-CG2 4.19Å; L437-V458 HydrophobicContact CG-CG2 4.28Å; L437-V458 PolarHBondContact N-O 3.44Å; L437-V458 PolarHBondContact O-N 3.26Å; L437-V458 VanDerWaalsContact O-N 3.09Å; I439-V458 HydrophobicContact CD1-CG2 4.15Å; V458-G466 VanDerWaalsContact CA-O 3.3Å; V458-G466 WeakPolarHBondContact CA-O 3.24Å; V458-W470 HydrophobicContact CB-CE3 4.18Å; V458-W470 HydrophobicContact CG2-CE3 4.11Å; V458-W470 HydrophobicContact CG2-CZ3 4.34Å
459G94.4Very high90.4Very high0 Ų061 Ų610%029%0.286CS..EExtended strand (participates in β ladder)trans153170.4-172.100000111.2E461 A462 G466G459-E461 PolarHBondContact O-N 2.93Å; G459-A462 WeakPolarHBondContact O-CB 3.49Å; G459-A462 PolarHBondContact O-N 3.43Å; G459-A462 VanDerWaalsContact O-N 3.11Å; G459-G466 PolarHBondContact N-O 2.92Å
460N89.8Confident91.2Very high44 Ų4452.9 Ų52.924%0.23525%0.249CC..THydrogen-bonded Turntrans-56.5-37-178.7-76.1-9.3000112.8D433 R467 W470D433-N460 VanDerWaalsContact CA-ND2 3.32Å; D433-N460 WeakPolarHBondContact CA-ND2 3.47Å; D433-N460 WeakPolarHBondContact CB-ND2 3.41Å; D433-N460 PolarHBondContact O-ND2 2.9Å; D433-N460 PolarHBondContact OD1-ND2 3.49Å; N460-R467 PolarHBondContact O-NE 3.34Å; N460-R467 VanDerWaalsContact O-NE 3.1Å; N460-R467 PolarHBondContact O-NH1 3.04Å; N460-R467 PolarHBondContact O-NH2 3.23Å; N460-W470 PolarHBondContact OD1-NE1 2.88Å
461E85.1Confident91.6Very high156 Ų15653 Ų5373%0.72925%0.254SS*.THydrogen-bonded Turntrans-92.79.6179.6-64-49145.100116.2G459 R467G459-E461 PolarHBondContact O-N 2.93Å; E461-R467 IonicContact OE2-CZ 3.09Å; E461-R467 IonicContact OE2-NH1 2.67Å; E461-R467 IonicContact OE2-NH2 3.75Å; E461-R467 PolarHBondContact OE2-NH2 3.26Å; E461-R467 VanDerWaalsContact OE2-NH2 3.15Å
462A85.8Confident92Very high6 Ų652.3 Ų52.35%0.0525%0.251CS..  trans-69.5160176.500000112.8G459 G466 R467G459-A462 WeakPolarHBondContact O-CB 3.49Å; G459-A462 PolarHBondContact O-N 3.43Å; G459-A462 VanDerWaalsContact O-N 3.11Å; A462-G466 VanDerWaalsContact CB-C 3.5Å; A462-R467 PolarHBondContact O-NE 3.32Å; A462-R467 PolarHBondContact O-NH2 3.13Å; A462-R467 VanDerWaalsContact O-NH2 3.17Å
463E81.2Confident92.2Very high100 Ų10048.8 Ų48.847%0.46723%0.233SC..  trans-80.4139.2170.2-68-177.1-155.300111.1L465 G466 R491E463-L465 PolarHBondContact O-N 3.31Å; E463-G466 PolarHBondContact O-N 2.8Å; E463-G466 VanDerWaalsContact O-N 3.1Å; E463-R491 IonicContact OE1-CZ 3.52Å; E463-R491 IonicContact OE1-NH1 3.51Å; E463-R491 PolarHBondContact OE1-NH1 3.39Å; E463-R491 IonicContact OE1-NH2 2.68Å
464R82.7Confident92.3Very high181 Ų18151 Ų5168%0.68325%0.245SC*.THydrogen-bonded Turntrans50.8-131165.6-62.8169.6-85.1-173.5-5.3111.7G466 R467 D468R464-G466 PolarHBondContact O-N 2.55Å; R464-R467 WeakPolarHBondContact O-CB 3.37Å; R464-R467 PolarHBondContact O-N 2.84Å; R464-D468 PolarHBondContact O-N 3.06Å
465L89.3Confident92.5Very high98 Ų9854.6 Ų54.651%0.51327%0.27SS..Hα-helixtrans-48.3-27.3-179.9-61.2174.5000114.5E463 R467 D468 H469 H485E463-L465 PolarHBondContact O-N 3.31Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3Å; L465-D468 WeakPolarHBondContact CA-OD2 3.3Å; L465-D468 PolarHBondContact N-OD2 3.44Å; L465-D468 PolarHBondContact O-N 2.97Å; L465-H469 VanDerWaalsContact O-CB 3.3Å; L465-H469 WeakPolarHBondContact O-CB 3.44Å; L465-H469 PolarHBondContact O-N 2.66Å; L465-H485 PolarHBondContact O-NE2 3.18Å
466G92.2Very high92.4Very high1 Ų160 Ų601%0.0129%0.29CS..Hα-helixtrans-63-34.3176.100000113.5Q457 V458 G459 A462 E463 R464 H485Q457-G466 VanDerWaalsContact O-CA 3.31Å; Q457-G466 WeakPolarHBondContact O-CA 3.13Å; V458-G466 VanDerWaalsContact CA-O 3.3Å; V458-G466 WeakPolarHBondContact CA-O 3.24Å; G459-G466 PolarHBondContact N-O 2.92Å; A462-G466 VanDerWaalsContact CB-C 3.5Å; E463-G466 PolarHBondContact O-N 2.8Å; E463-G466 VanDerWaalsContact O-N 3.1Å; R464-G466 PolarHBondContact O-N 2.55Å; G466-H485 WeakPolarHBondContact CA-NE2 3.45Å; G466-H485 PolarHBondContact N-NE2 3.05Å
467R94.4Very high92.3Very high105 Ų10562.3 Ų62.340%0.39631%0.305SS..Hα-helixtrans-82.3-42.9176.3-170.4-179.6-62.6-121.2-4.7110.5N460 E461 A462 R464 L465 W470 S471N460-R467 PolarHBondContact O-NE 3.34Å; N460-R467 VanDerWaalsContact O-NE 3.1Å; N460-R467 PolarHBondContact O-NH1 3.04Å; N460-R467 PolarHBondContact O-NH2 3.23Å; E461-R467 IonicContact OE2-CZ 3.09Å; E461-R467 IonicContact OE2-NH1 2.67Å; E461-R467 IonicContact OE2-NH2 3.75Å; E461-R467 PolarHBondContact OE2-NH2 3.26Å; E461-R467 VanDerWaalsContact OE2-NH2 3.15Å; A462-R467 PolarHBondContact O-NE 3.32Å; A462-R467 PolarHBondContact O-NH2 3.13Å; A462-R467 VanDerWaalsContact O-NH2 3.17Å; R464-R467 WeakPolarHBondContact O-CB 3.37Å; R464-R467 PolarHBondContact O-N 2.84Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3Å; R467-W470 WeakPolarHBondContact O-CB 3.39Å; R467-W470 PolarHBondContact O-N 3.3Å; R467-S471 PolarHBondContact O-N 2.85Å
468D94.4Very high92.1Very high89 Ų8967.3 Ų67.348%0.47632%0.32SS..Hα-helixtrans-63-46.1-177.7-51.4-38.8000111.8R464 L465 W470 S471 E472R464-D468 PolarHBondContact O-N 3.06Å; L465-D468 WeakPolarHBondContact CA-OD2 3.3Å; L465-D468 PolarHBondContact N-OD2 3.44Å; L465-D468 PolarHBondContact O-N 2.97Å; D468-W470 VanDerWaalsContact C-N 3.3Å; D468-W470 PolarHBondContact O-N 2.75Å; D468-S471 PolarHBondContact O-N 2.82Å; D468-E472 WeakPolarHBondContact O-CB 3.26Å; D468-E472 PolarHBondContact O-N 2.8Å
469H96.8Very high92Very high2 Ų272.1 Ų72.11%0.00934%0.34CS..Hα-helixtrans-62.4-35.8175.7-175-177.6000112.2F358 L465 M473 I481 H483 H485F358-H469 AromaticContact CD2-CE1 3.73Å; F358-H469 AromaticContact CE2-CE1 3.46Å; F358-H469 VanDerWaalsContact CE2-CE1 3.46Å; F358-H469 WeakPolarHBondContact CE2-CE1 3.35Å; F358-H469 AromaticContact CE2-ND1 3.59Å; L465-H469 VanDerWaalsContact O-CB 3.3Å; L465-H469 WeakPolarHBondContact O-CB 3.44Å; L465-H469 PolarHBondContact O-N 2.66Å; H469-M473 WeakPolarHBondContact O-CB 3.39Å; H469-M473 PolarHBondContact O-N 2.8Å; H469-I481 PolarHBondContact NE2-O 2.93Å; H469-H483 AromaticContact CD2-CD2 3.6Å; H469-H483 AromaticContact CG-CD2 3.71Å; H469-H485 WeakPolarHBondContact CB-NE2 3.43Å; H469-H485 AromaticContact ND1-CD2 3.86Å; H469-H485 AromaticContact ND1-NE2 3.84Å
470W96.8Very high92.1Very high0 Ų076.2 Ų76.20%037%0.367CS..Hα-helixtrans-69.9-43.8176.3-168.4-99.1000111.6L360 L369 I432 I435 L437 V458 N460 R467 D468 M473 L474L360-W470 HydrophobicContact CD1-CE3 3.98Å; L369-W470 HydrophobicContact CD1-CH2 4.38Å; L369-W470 HydrophobicContact CD1-CZ3 4.37Å; L369-W470 HydrophobicContact CD2-CH2 3.7Å; L369-W470 HydrophobicContact CD2-CZ3 4.11Å; I432-W470 HydrophobicContact CD1-CH2 4.42Å; I432-W470 HydrophobicContact CD1-CZ2 3.92Å; I432-W470 HydrophobicContact CG1-CZ2 4.41Å; I435-W470 HydrophobicContact CD1-CH2 3.78Å; I435-W470 HydrophobicContact CD1-CZ2 3.97Å; I435-W470 HydrophobicContact CG1-CH2 4.23Å; I435-W470 HydrophobicContact CG1-CZ2 3.98Å; L437-W470 HydrophobicContact CD1-CZ3 4.27Å; L437-W470 HydrophobicContact CG-CZ3 4.14Å; V458-W470 HydrophobicContact CB-CE3 4.18Å; V458-W470 HydrophobicContact CG2-CE3 4.11Å; V458-W470 HydrophobicContact CG2-CZ3 4.34Å; N460-W470 PolarHBondContact OD1-NE1 2.88Å; R467-W470 WeakPolarHBondContact O-CB 3.39Å; R467-W470 PolarHBondContact O-N 3.3Å; D468-W470 VanDerWaalsContact C-N 3.3Å; D468-W470 PolarHBondContact O-N 2.75Å; W470-M473 HydrophobicContact CD2-CE 3.71Å; W470-M473 HydrophobicContact CE3-CE 3.75Å; W470-M473 HydrophobicContact CE3-SD 4.45Å; W470-M473 HydrophobicContact CG-CE 4.33Å; W470-M473 HydrophobicContact CH2-CE 4.1Å; W470-M473 HydrophobicContact CZ2-CE 4.05Å; W470-M473 HydrophobicContact CZ3-CE 3.95Å; W470-M473 HydrophobicContact CZ3-SD 4.49Å; W470-M473 WeakPolarHBondContact O-CB 3.43Å; W470-M473 PolarHBondContact O-N 3.46Å; W470-L474 WeakPolarHBondContact O-CG 3.48Å; W470-L474 PolarHBondContact O-N 2.81Å; W470-L474 VanDerWaalsContact O-N 3.1Å
471S95.5Very high92.5Very high66 Ų6674.3 Ų74.346%0.46236%0.356SS..Hα-helixtrans-63.4-40.2175.5-171.30000112.2R467 D468 L474 S475R467-S471 PolarHBondContact O-N 2.85Å; D468-S471 PolarHBondContact O-N 2.82Å; S471-L474 PolarHBondContact O-N 3.41Å; S471-S475 WeakPolarHBondContact O-CB 3.18Å; S471-S475 PolarHBondContact O-N 2.76Å; S471-S475 PolarHBondContact O-OG 3.43Å
472E96.1Very high93.1Very high58 Ų5869 Ų6927%0.27134%0.34SS..Hα-helixtrans-65.5-41.7175.6-166.8-174.4172.400111.8D468 L474 S475 Y476 I481 H483D468-E472 WeakPolarHBondContact O-CB 3.26Å; D468-E472 PolarHBondContact O-N 2.8Å; E472-L474 VanDerWaalsContact C-N 3.33Å; E472-L474 PolarHBondContact O-N 3.5Å; E472-S475 PolarHBondContact O-N 2.8Å; E472-Y476 HydrophobicContact CG-CD2 3.74Å; E472-Y476 HydrophobicContact CG-CE2 3.87Å; E472-Y476 WeakPolarHBondContact O-CD2 3.2Å; E472-Y476 PolarHBondContact O-N 3.01Å; E472-I481 HydrophobicContact CB-CG2 4.17Å; E472-I481 HydrophobicContact CG-CD1 4.05Å; E472-I481 HydrophobicContact CG-CG1 4.03Å; E472-I481 HydrophobicContact CG-CG2 3.9Å; E472-I481 VanDerWaalsContact OE2-CG2 3.25Å; E472-I481 WeakPolarHBondContact OE2-CG2 3.05Å; E472-H483 IonicContact OE2-CD2 2.9Å; E472-H483 IonicContact OE2-CE1 3.84Å; E472-H483 IonicContact OE2-NE2 2.7Å; E472-H483 PolarHBondContact OE2-NE2 3.27Å
473M96.9Very high93.5Very high0 Ų072 Ų720%035%0.353CS..Hα-helixtrans-57.4-44.2173.7175.8-159.264.900112L360 L369 H469 W470 Y476L360-M473 HydrophobicContact CB-CB 4.05Å; L360-M473 HydrophobicContact CB-CG 3.88Å; L360-M473 HydrophobicContact CB-SD 3.65Å; L360-M473 HydrophobicContact CD1-SD 4.29Å; L360-M473 HydrophobicContact CG-SD 4.46Å; L369-M473 HydrophobicContact CD1-CE 4.13Å; L369-M473 HydrophobicContact CD1-SD 3.45Å; L369-M473 WeakPolarHBondContact CD1-SD 3.28Å; H469-M473 WeakPolarHBondContact O-CB 3.39Å; H469-M473 PolarHBondContact O-N 2.8Å; W470-M473 HydrophobicContact CD2-CE 3.71Å; W470-M473 HydrophobicContact CE3-CE 3.75Å; W470-M473 HydrophobicContact CE3-SD 4.45Å; W470-M473 HydrophobicContact CG-CE 4.33Å; W470-M473 HydrophobicContact CH2-CE 4.1Å; W470-M473 HydrophobicContact CZ2-CE 4.05Å; W470-M473 HydrophobicContact CZ3-CE 3.95Å; W470-M473 HydrophobicContact CZ3-SD 4.49Å; W470-M473 WeakPolarHBondContact O-CB 3.43Å; W470-M473 PolarHBondContact O-N 3.46Å; M473-Y476 CarbonylContact O-C 3.56Å
474L95.1Very high94.2Very high50 Ų5070.4 Ų70.426%0.26234%0.342SS..Hα-helixtrans-70.9-33.9178.4-65.4175.3000112.1Y362 I432 W470 S471 E472 Y476 P477Y362-L474 HydrophobicContact CD1-CD2 4.06Å; I432-L474 HydrophobicContact CD1-CD2 4.41Å; I432-L474 HydrophobicContact CG1-CD2 3.66Å; W470-L474 WeakPolarHBondContact O-CG 3.48Å; W470-L474 PolarHBondContact O-N 2.81Å; W470-L474 VanDerWaalsContact O-N 3.1Å; S471-L474 PolarHBondContact O-N 3.41Å; E472-L474 VanDerWaalsContact C-N 3.33Å; E472-L474 PolarHBondContact O-N 3.5Å; L474-Y476 VanDerWaalsContact C-N 3.33Å; L474-Y476 PolarHBondContact O-N 3.3Å; L474-P477 WeakPolarHBondContact O-CD 3.33Å; L474-P477 WeakPolarHBondContact O-CG 3.28Å
475S95.7Very high94.7Very high76 Ų7662.4 Ų62.453%0.53131%0.313SS..Hα-helixtrans-71.1-23.8177.8-59.80000113.7S471 E472S471-S475 WeakPolarHBondContact O-CB 3.18Å; S471-S475 PolarHBondContact O-N 2.76Å; S471-S475 PolarHBondContact O-OG 3.43Å; E472-S475 PolarHBondContact O-N 2.8Å
476Y94Very high94.8Very high126 Ų12661.2 Ų61.249%0.49431%0.312SS..SBendtrans-124.668.6177.1-59.3-72.8000113.1E472 M473 L474 K479 I481E472-Y476 HydrophobicContact CG-CD2 3.74Å; E472-Y476 HydrophobicContact CG-CE2 3.87Å; E472-Y476 WeakPolarHBondContact O-CD2 3.2Å; E472-Y476 PolarHBondContact O-N 3.01Å; M473-Y476 CarbonylContact O-C 3.56Å; L474-Y476 VanDerWaalsContact C-N 3.33Å; L474-Y476 PolarHBondContact O-N 3.3Å; Y476-K479 HydrophobicContact CG-CD 4.3Å; Y476-K479 WeakPolarHBondContact O-CB 3.24Å; Y476-K479 PolarHBondContact O-N 3.28Å; Y476-K479 VanDerWaalsContact O-N 3.09Å; Y476-I481 HydrophobicContact CD2-CD1 4.13Å
477P90.9Very high94.8Very high57 Ų5761.5 Ų61.537%0.3731%0.314SS..THydrogen-bonded Turntrans-55.8141.5-178.7-24.834.6000113.5P364 L474 K479P364-P477 HydrophobicContact CG-CB 4.4Å; L474-P477 WeakPolarHBondContact O-CD 3.33Å; L474-P477 WeakPolarHBondContact O-CG 3.28Å; P477-K479 PolarHBondContact O-N 3.15Å
478R91.6Very high94.5Very high199 Ų19959.7 Ų59.775%0.75131%0.314SS*.THydrogen-bonded Turntrans69.2-10.1-173.2-49166.5-70.6-169.6-2.2115.9C361 Y362 L363C361-R478 PolarHBondContact SG-O 2.8Å; Y362-R478 PolarHBondContact O-N 3.28Å; L363-R478 HydrophobicContact CG-CG 4.2Å
479K94.3Very high94Very high101 Ų10158.5 Ų58.544%0.43931%0.306SS..SBendtrans-87.3127.5173.9-175.3-172.3166.9-155.30109.5Y476 P477 I481Y476-K479 HydrophobicContact CG-CD 4.3Å; Y476-K479 WeakPolarHBondContact O-CB 3.24Å; Y476-K479 PolarHBondContact O-N 3.28Å; Y476-K479 VanDerWaalsContact O-N 3.09Å; P477-K479 PolarHBondContact O-N 3.15Å; K479-I481 HydrophobicContact CB-CD1 4.48Å; K479-I481 HydrophobicContact CD-CD1 3.65Å; K479-I481 HydrophobicContact CG-CD1 4Å; K479-I481 PolarHBondContact O-N 3.43Å
480P96.6Very high93Very high85 Ų8564.6 Ų64.655%0.55233%0.332SS*.  trans-70.7114.4167.129-31.5000109.8L360 C361L360-P480 WeakPolarHBondContact O-CA 3.38Å; C361-P480 HydrophobicContact CB-CB 4.34Å
481I97.7Very high91.1Very high4 Ų475.3 Ų75.32%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-90.4139.5169.1-55.8-52.5000107.5S359 L360 H469 E472 Y476 K479S359-I481 CarbonylContact C-O 3.55Å; S359-I481 WeakPolarHBondContact CA-O 3.18Å; S359-I481 WeakPolarHBondContact CB-O 3.27Å; L360-I481 PolarHBondContact N-O 2.84Å; L360-I481 PolarHBondContact O-N 3.2Å; H469-I481 PolarHBondContact NE2-O 2.93Å; E472-I481 HydrophobicContact CB-CG2 4.17Å; E472-I481 HydrophobicContact CG-CD1 4.05Å; E472-I481 HydrophobicContact CG-CG1 4.03Å; E472-I481 HydrophobicContact CG-CG2 3.9Å; E472-I481 VanDerWaalsContact OE2-CG2 3.25Å; E472-I481 WeakPolarHBondContact OE2-CG2 3.05Å; Y476-I481 HydrophobicContact CD2-CD1 4.13Å; K479-I481 HydrophobicContact CB-CD1 4.48Å; K479-I481 HydrophobicContact CD-CD1 3.65Å; K479-I481 HydrophobicContact CG-CD1 4Å; K479-I481 PolarHBondContact O-N 3.43Å
482A97.3Very high90.9Very high46 Ų4675.8 Ų75.838%0.3837%0.368SS..EExtended strand (participates in β ladder)trans-138.1124.5-175.400000112.2M357 I374M357-A482 HydrophobicContact CE-CB 4.22Å; I374-A482 HydrophobicContact CD1-CB 4.23Å
483H94.7Very high90.6Very high69 Ų6976.7 Ų76.732%0.31937%0.373SS..EExtended strand (participates in β ladder)trans-134.4161.9-177.3-77.1-71.5000112.2M357 F358 H469 E472M357-H483 WeakPolarHBondContact CA-O 3.46Å; F358-H483 PolarHBondContact N-O 3.25Å; F358-H483 PolarHBondContact O-N 2.66Å; H469-H483 AromaticContact CD2-CD2 3.6Å; H469-H483 AromaticContact CG-CD2 3.71Å; E472-H483 IonicContact OE2-CD2 2.9Å; E472-H483 IonicContact OE2-CE1 3.84Å; E472-H483 IonicContact OE2-NE2 2.7Å; E472-H483 PolarHBondContact OE2-NE2 3.27Å
484W94.6Very high90.2Very high66 Ų6680.9 Ų80.925%0.2539%0.394CS..EExtended strand (participates in β ladder)trans-90.4138.2166.1-7397.1000110E355 M357 K375 R377E355-W484 HydrophobicContact CB-CE3 3.8Å; E355-W484 HydrophobicContact CB-CZ3 4.24Å; M357-W484 HydrophobicContact CB-CD2 3.78Å; M357-W484 HydrophobicContact CB-CE3 3.68Å; M357-W484 HydrophobicContact CB-CG 4.49Å; M357-W484 HydrophobicContact CB-CH2 3.97Å; M357-W484 HydrophobicContact CB-CZ2 4.06Å; M357-W484 HydrophobicContact CB-CZ3 3.76Å; M357-W484 HydrophobicContact CG-CD2 4.15Å; M357-W484 HydrophobicContact CG-CG 4.49Å; M357-W484 HydrophobicContact CG-CZ2 4.44Å; M357-W484 HydrophobicContact SD-CZ2 4.07Å; K375-W484 HydrophobicContact CD-CH2 4.27Å; K375-W484 HydrophobicContact CG-CH2 3.97Å; R377-W484 HydrophobicContact CB-CH2 4.17Å; R377-W484 HydrophobicContact CB-CZ3 4.24Å; R377-W484 HydrophobicContact CG-CE3 4.42Å; R377-W484 HydrophobicContact CG-CH2 3.8Å; R377-W484 HydrophobicContact CG-CZ3 3.63Å
485H93.9Very high89.9Confident13 Ų1382.8 Ų82.86%0.0640%0.402CS..EExtended strand (participates in β ladder)trans-126.1121173-70.4-101.7000109.3E355 L356 F358 C456 L465 G466 H469E355-H485 WeakPolarHBondContact CA-O 3.35Å; L356-H485 PolarHBondContact N-O 3.21Å; L356-H485 PolarHBondContact O-N 3.47Å; F358-H485 HydrophobicContact CE1-CB 3.95Å; F358-H485 AromaticContact CE1-CD2 3.38Å; F358-H485 WeakPolarHBondContact CE1-CD2 3.41Å; F358-H485 AromaticContact CE1-CG 3.67Å; F358-H485 AromaticContact CZ-CD2 3.37Å; F358-H485 WeakPolarHBondContact CZ-CD2 3.22Å; F358-H485 AromaticContact CZ-CG 3.8Å; C456-H485 HydrophobicContact CB-CB 4.1Å; L465-H485 PolarHBondContact O-NE2 3.18Å; G466-H485 WeakPolarHBondContact CA-NE2 3.45Å; G466-H485 PolarHBondContact N-NE2 3.05Å; H469-H485 WeakPolarHBondContact CB-NE2 3.43Å; H469-H485 AromaticContact ND1-CD2 3.86Å; H469-H485 AromaticContact ND1-NE2 3.84Å
486S90.7Very high89.6Confident72 Ų7283.2 Ų83.250%0.50339%0.393SS..EExtended strand (participates in β ladder)trans-65.7139.7170.9-39.30000110E355E355-S486 PolarHBondContact OE1-OG 3.16Å
487L92Very high89.3Confident8 Ų880.3 Ų80.34%0.04239%0.387CS..  trans-89.5133.6-178.5-61.6171.2000110.1L353 G354 L356 L379 V441 C456L353-L487 HydrophobicContact CB-CB 3.89Å; G354-L487 WeakPolarHBondContact O-CB 3.15Å; G354-L487 WeakPolarHBondContact O-CG 3.33Å; G354-L487 PolarHBondContact O-N 3.35Å; L356-L487 HydrophobicContact CB-CD2 4.12Å; L379-L487 HydrophobicContact CD2-CD1 3.57Å; V441-L487 HydrophobicContact CB-CD1 4Å; V441-L487 HydrophobicContact CG2-CD1 3.62Å; V441-L487 HydrophobicContact CG2-CD2 3.79Å; V441-L487 HydrophobicContact CG2-CG 4.38Å; C456-L487 HydrophobicContact CB-CD2 4.36Å
488V88.4Confident89.2Confident66 Ų6682 Ų8240%0.439%0.388SS..BIsolated β-bridgetrans-112.5161.5177.4-61.20000111.4L353 G454 V455L353-V488 WeakPolarHBondContact CD1-O 3.45Å; G454-V488 WeakPolarHBondContact CA-O 3.26Å; V455-V488 HydrophobicContact CG2-CG2 4.08Å; V455-V488 PolarHBondContact N-O 2.82Å; V455-V488 WeakPolarHBondContact O-CG2 3.33Å; V455-V488 PolarHBondContact O-N 3.21Å
489E83.8Confident89Confident64 Ų6473 Ų7330%0.29936%0.36SS..  trans-66.2148.1174.6-69.6-155.515400110.8N348 L353 K380 R491N348-E489 WeakPolarHBondContact CB-OE2 3.48Å; N348-E489 VanDerWaalsContact ND2-CD 3.34Å; N348-E489 PolarHBondContact ND2-OE1 3.46Å; N348-E489 PolarHBondContact ND2-OE2 3.16Å; L353-E489 HydrophobicContact CD1-CB 4.46Å; L353-E489 HydrophobicContact CD1-CG 3.79Å; L353-E489 HydrophobicContact CD2-CG 4.42Å; K380-E489 IonicContact NZ-OE1 3.15Å; E489-R491 PolarHBondContact O-N 2.95Å
490K75.8Confident88.6Confident130 Ų13070.7 Ų70.757%0.56535%0.353SS*.  trans-77.697.6-176.4-171.3-149.6150.3-68.30110.6I452 V455I452-K490 HydrophobicContact CD1-CB 4.42Å; I452-K490 HydrophobicContact CD1-CD 3.64Å; I452-K490 HydrophobicContact CD1-CG 4.49Å; V455-K490 HydrophobicContact CG1-CB 4.01Å; V455-K490 HydrophobicContact CG1-CG 4.14Å; V455-K490 HydrophobicContact CG2-CB 4.26Å
491R57.2Low87.8Confident225 Ų22569.4 Ų69.485%0.84934%0.335SS*.  trans-49.70162.3-60.3-178.1-1761533112E463 E489E463-R491 IonicContact OE1-CZ 3.52Å; E463-R491 IonicContact OE1-NH1 3.51Å; E463-R491 PolarHBondContact OE1-NH1 3.39Å; E463-R491 IonicContact OE1-NH2 2.68Å; E489-R491 PolarHBondContact O-N 2.95Å

Retrieved 491 of 491 residues in 82.4 ms (Link to these results)