X5D999_HUMAN Loading...

Protocadherin 10 isoform A

AlphaFold DB (Q9P2E7), UniProt , Accession X5D999, Species HUMAN (Homo sapiens, Human), Gene PCDH10, Length 1,040 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
1M49.3Very low56.6Low180 Ų180125.2 Ų125.289%0.88763%0.632SS**  0-69.20-75.7-104.664.600111.3V3 L4 L5M1-V3 PolarHBondContact O-N 2.87Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L5 PolarHBondContact O-N 3.48Å
2I62Low55.7Low137 Ų137128.3 Ų128.370%0.70365%0.646SS**Hα-helixtrans-54.6-44.1-176.5-62.5169000113.2L4 L5 L6I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.36Å; I2-L5 WeakPolarHBondContact O-CB 3.39Å; I2-L5 PolarHBondContact O-N 2.84Å; I2-L5 VanDerWaalsContact O-N 3.12Å; I2-L6 HydrophobicContact CG2-CD1 4.13Å; I2-L6 PolarHBondContact O-N 2.73Å
3V60.3Low54.6Low99 Ų99126.3 Ų126.360%0.664%0.644SS**Hα-helixtrans-64.8-32.6177.6-1780000113.1M1 L6 F7M1-V3 PolarHBondContact O-N 2.87Å; V3-L6 PolarHBondContact O-N 3.4Å; V3-F7 HydrophobicContact CG1-CD2 4.27Å; V3-F7 PolarHBondContact O-N 3.38Å
4L56.4Low53.3Low136 Ų136131.1 Ų131.171%0.71266%0.663SS**Hα-helixtrans-75-30.4172.9-98104.3000112.3M1 I2 A8M1-L4 PolarHBondContact O-N 3.44Å; I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.36Å; L4-A8 VanDerWaalsContact O-CB 3.31Å; L4-A8 WeakPolarHBondContact O-CB 3.34Å; L4-A8 PolarHBondContact O-N 3.31Å
5L57.3Low52.1Low103 Ų103126.9 Ų126.954%0.53967%0.665SS.*Hα-helixtrans-68.6-36.4170.4-115.699.1000111.6M1 I2 A8 L9M1-L5 PolarHBondContact O-N 3.48Å; I2-L5 WeakPolarHBondContact O-CB 3.39Å; I2-L5 PolarHBondContact O-N 2.84Å; I2-L5 VanDerWaalsContact O-N 3.12Å; L5-A8 PolarHBondContact O-N 2.88Å; L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 PolarHBondContact O-N 3.25Å
6L58.9Low51.3Low96 Ų96126.4 Ų126.450%0.50367%0.669SS.*Hα-helixtrans-64.5-45.2173.7-79.6161.6000111.4I2 V3 A8 L9 L10I2-L6 HydrophobicContact CG2-CD1 4.13Å; I2-L6 PolarHBondContact O-N 2.73Å; V3-L6 PolarHBondContact O-N 3.4Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CD1 3.11Å; L6-L10 PolarHBondContact O-N 2.98Å
7F60.1Low50.9Low135 Ų135129.9 Ų129.959%0.59268%0.677SS**Hα-helixtrans-65.7-32.6173.4-92.7-84.8000113.2V3 W11V3-F7 HydrophobicContact CG1-CD2 4.27Å; V3-F7 PolarHBondContact O-N 3.38Å; F7-W11 PolarHBondContact O-N 2.78Å
8A58.2Low51.2Low52 Ų52124.8 Ų124.843%0.4365%0.654SS.*Hα-helixtrans-72.8-33.4173.700000113.1L4 L5 L6 W11 M12L4-A8 VanDerWaalsContact O-CB 3.31Å; L4-A8 WeakPolarHBondContact O-CB 3.34Å; L4-A8 PolarHBondContact O-N 3.31Å; L5-A8 PolarHBondContact O-N 2.88Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.39Å; A8-W11 PolarHBondContact O-N 2.86Å; A8-M12 WeakPolarHBondContact O-CB 3.34Å; A8-M12 WeakPolarHBondContact O-CG 3.29Å; A8-M12 PolarHBondContact O-N 3.48Å
9L57.4Low52.6Low103 Ų103123.5 Ų123.554%0.53964%0.644SS.*Hα-helixtrans-70-42.5170.3-102.582.5000111.4L5 L6 W11 M12 V13L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 2.88Å; L9-W11 PolarHBondContact O-N 3.03Å; L9-W11 VanDerWaalsContact O-N 3.1Å; L9-M12 PolarHBondContact O-N 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.29Å
10L55.3Low54.4Low122 Ų122118 Ų11864%0.63962%0.616SS**THydrogen-bonded Turntrans-64.3-10.9175.8-92.3137.9000114L6L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CD1 3.11Å; L6-L10 PolarHBondContact O-N 2.98Å
11W47.5Very low56.2Low214 Ų214118.1 Ų118.181%0.81161%0.613SS**THydrogen-bonded Turntrans-109.37.2173-7854.7000113F7 A8 L9F7-W11 PolarHBondContact O-N 2.78Å; A8-W11 PolarHBondContact O-N 2.86Å; L9-W11 PolarHBondContact O-N 3.03Å; L9-W11 VanDerWaalsContact O-N 3.1Å
12M45.4Very low58.3Low162 Ų162110.7 Ų110.780%0.79858%0.575SS**SBendtrans-12510.3177.7-68-75.4-68.800112.2A8 L9A8-M12 WeakPolarHBondContact O-CB 3.34Å; A8-M12 WeakPolarHBondContact O-CG 3.29Å; A8-M12 PolarHBondContact O-N 3.48Å; L9-M12 PolarHBondContact O-N 3.4Å
13V41.7Very low59.8Low103 Ų103108.3 Ų108.362%0.62457%0.567SS**  trans-130.237.9-174.8-174.70000111L9L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.19Å; L9-V13 PolarHBondContact O-N 3.29Å
14E36.5Very low61.4Low194 Ų194104 Ų10491%0.90754%0.541SS*.  trans-110.291.3156.3-75.9-176.6151.200107.6
15G34.8Very low63.1Low67 Ų67100.5 Ų100.569%0.69152%0.521SS*.  cis107.637.9-3.900000115.4
16V39.4Very low64.7Low120 Ų12095.6 Ų95.673%0.72750%0.496SS*.  trans-134.791168.5-169.50000110.5S18V16-S18 PolarHBondContact O-N 3.15Å
17F44.5Very low66.2Low186 Ų18693.3 Ų93.382%0.81648%0.482SS*.  trans-78103.5148.3-91.4-90.6000105.6Q19F17-Q19 PolarHBondContact O-N 2.96Å
18S57.2Low67.6Low37 Ų3789.3 Ų89.326%0.25947%0.465SS..  trans-84.2110.2176.4-155.60000108.7V16V16-S18 PolarHBondContact O-N 3.15Å
19Q77.2Confident69Low100 Ų10094.2 Ų94.247%0.46748%0.479SS..EExtended strand (participates in β ladder)trans-88.1127165.3-70.7-177.8-57.400108.2F17 Q107F17-Q19 PolarHBondContact O-N 2.96Å; Q19-Q107 HydrophobicContact CG-CB 4.38Å
20L88.1Confident70.6Confident14 Ų1495.9 Ų95.97%0.07348%0.484CS..EExtended strand (participates in β ladder)trans-100.2132.8175.7-134.369.4000108.2Y22 I37 D40 L41 Q107 V108 E109L20-Y22 HydrophobicContact CD2-CE2 3.85Å; L20-Y22 VanDerWaalsContact CD2-OH 3.27Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.45Å; L20-Y22 HydrophobicContact CG-CE2 4.46Å; L20-I37 HydrophobicContact CD2-CB 4.17Å; L20-I37 HydrophobicContact CD2-CG1 3.89Å; L20-I37 HydrophobicContact CD2-CG2 4.09Å; L20-D40 HydrophobicContact CD1-CB 4.04Å; L20-D40 HydrophobicContact CD2-CB 4.26Å; L20-D40 HydrophobicContact CG-CB 4.45Å; L20-L41 HydrophobicContact CD1-CD2 3.88Å; L20-L41 HydrophobicContact CD1-CG 4.26Å; L20-Q107 PolarHBondContact N-O 2.95Å; L20-V108 HydrophobicContact CB-CB 4.45Å; L20-V108 HydrophobicContact CB-CG1 4.34Å; L20-V108 HydrophobicContact CB-CG2 4.13Å; L20-V108 HydrophobicContact CD2-CG2 4.39Å; L20-V108 CarbonylContact O-C 3.51Å; L20-V108 WeakPolarHBondContact O-CA 3.37Å; L20-E109 PolarHBondContact O-N 3.02Å
21H92.7Very high72.3Confident120 Ų12091.9 Ų91.956%0.55647%0.472SS*.EExtended strand (participates in β ladder)trans-120.5128.4178.1-66.2-84000109.9E109H21-E109 WeakPolarHBondContact CA-O 3.14Å; H21-E109 IonicContact CE1-OE2 3.17Å; H21-E109 PolarHBondContact CE1-OE2 3.43Å; H21-E109 IonicContact ND1-OE2 3.58Å
22Y94.1Very high74.4Confident24 Ų2483.5 Ų83.59%0.09445%0.445CS..EExtended strand (participates in β ladder)trans-123.3156.5169.3-62.6-54.4000110.2L20 V34 N36 I37 D40 L73 V108 E109 I110 E111L20-Y22 HydrophobicContact CD2-CE2 3.85Å; L20-Y22 VanDerWaalsContact CD2-OH 3.27Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.45Å; L20-Y22 HydrophobicContact CG-CE2 4.46Å; Y22-V34 HydrophobicContact CD2-CG1 4.38Å; Y22-V34 HydrophobicContact CG-CG1 4.31Å; Y22-N36 VanDerWaalsContact OH-C 3.22Å; Y22-N36 PolarHBondContact OH-N 3.31Å; Y22-I37 HydrophobicContact CE2-CG1 3.86Å; Y22-I37 WeakPolarHBondContact OH-CA 3.17Å; Y22-I37 PolarHBondContact OH-N 2.8Å; Y22-D40 VanDerWaalsContact CE1-OD2 3.23Å; Y22-D40 WeakPolarHBondContact CE1-OD2 3.35Å; Y22-D40 VanDerWaalsContact CZ-OD2 3.32Å; Y22-D40 PolarHBondContact OH-OD2 3.23Å; Y22-L73 HydrophobicContact CD2-CD2 4.3Å; Y22-V108 HydrophobicContact CD2-CG1 3.81Å; Y22-V108 HydrophobicContact CE2-CG1 3.9Å; Y22-E109 PolarHBondContact N-O 2.67Å; Y22-I110 CarbonylContact O-C 3.54Å; Y22-I110 WeakPolarHBondContact O-CA 3.31Å; Y22-E111 PolarHBondContact O-N 2.91Å
23T93.3Very high76.7Confident87 Ų8781.5 Ų81.553%0.53443%0.432SS..EExtended strand (participates in β ladder)trans-120.3134.3171.5550000108.4E111T23-E111 WeakPolarHBondContact CA-O 3.22Å; T23-E111 HydrophobicContact CG2-CB 4.25Å
24V93.4Very high79.1Confident9 Ų977.1 Ų77.16%0.05541%0.405CS..EExtended strand (participates in β ladder)trans-132.9139.2173.774.60000107.6Q28 V34 V75 I79 I110 E111 V112 L113V24-Q28 HydrophobicContact CG2-CG 4.15Å; V24-V34 HydrophobicContact CB-CG1 4.38Å; V24-V34 HydrophobicContact CG2-CG2 4.09Å; V24-V75 HydrophobicContact CG2-CG2 4.12Å; V24-I79 HydrophobicContact CG1-CD1 3.89Å; V24-I110 HydrophobicContact CB-CG2 4.19Å; V24-I110 HydrophobicContact CG1-CG2 3.66Å; V24-E111 PolarHBondContact N-O 2.68Å; V24-V112 HydrophobicContact CG1-CG2 4.31Å; V24-V112 CarbonylContact O-C 3.55Å; V24-V112 WeakPolarHBondContact O-CA 3.13Å; V24-L113 PolarHBondContact O-N 2.78Å
25Q91.6Very high81.7Confident63 Ų6368 Ų6829%0.29436%0.364SS..EExtended strand (participates in β ladder)trans-66.9158.1165.7-77.6176.8-26.600109.3Q28 L113 I115Q25-Q28 HydrophobicContact CB-CG 4.25Å; Q25-Q28 WeakPolarHBondContact O-CG 3.12Å; Q25-L113 HydrophobicContact CG-CB 4.29Å; Q25-I115 HydrophobicContact CB-CG2 4.21Å; Q25-I115 HydrophobicContact CG-CG2 4.19Å
26E92.2Very high84.5Confident0 Ų065.9 Ų65.90%034%0.337CS..SBendtrans-74.1179.6163.773.1-177.211400112.3Q28 I79 R81 E82 V112 L113 D114 I115E26-Q28 PolarHBondContact O-N 3.22Å; E26-Q28 PolarHBondContact O-NE2 3.4Å; E26-I79 HydrophobicContact CB-CG2 4.25Å; E26-I79 WeakPolarHBondContact CB-O 3.16Å; E26-R81 HydrophobicContact CB-CB 4.13Å; E26-R81 HydrophobicContact CG-CB 4.4Å; E26-R81 WeakPolarHBondContact OE1-CB 3.48Å; E26-R81 IonicContact OE1-NE 3.55Å; E26-R81 WeakPolarHBondContact OE2-CA 3.43Å; E26-R81 WeakPolarHBondContact OE2-CB 3.34Å; E26-R81 PolarHBondContact OE2-N 3.36Å; E26-E82 VanDerWaalsContact OE2-OE2 3.13Å; E26-V112 HydrophobicContact CB-CG1 3.82Å; E26-L113 PolarHBondContact N-O 3.13Å; E26-L113 VanDerWaalsContact N-O 3.11Å; E26-D114 VanDerWaalsContact OE1-CA 3.25Å; E26-D114 WeakPolarHBondContact OE1-CA 3.31Å; E26-I115 HydrophobicContact CG-CB 4.31Å; E26-I115 HydrophobicContact CG-CD1 3.83Å; E26-I115 HydrophobicContact CG-CG1 3.55Å; E26-I115 HydrophobicContact CG-CG2 4.15Å; E26-I115 PolarHBondContact OE1-N 2.74Å
27E90.7Very high86.9Confident48 Ų4860.2 Ų60.222%0.22430%0.302CS..SBendtrans54.416.4178-65-76.772.200115.4K78 I79 I115E27-K78 WeakPolarHBondContact O-CE 3.42Å; E27-K78 WeakPolarHBondContact OE1-CD 3.08Å; E27-K78 WeakPolarHBondContact OE1-CE 3.35Å; E27-K78 WeakPolarHBondContact OE1-CG 3.4Å; E27-K78 IonicContact OE1-NZ 2.71Å; E27-K78 PolarHBondContact OE1-NZ 3.45Å; E27-K78 VanDerWaalsContact OE1-NZ 3.16Å; E27-K78 WeakPolarHBondContact OE2-CE 3.28Å; E27-K78 IonicContact OE2-NZ 2.92Å; E27-K78 PolarHBondContact OE2-NZ 2.83Å; E27-I79 WeakPolarHBondContact CA-O 3.38Å; E27-I79 PolarHBondContact N-O 2.55Å; E27-I115 HydrophobicContact CB-CD1 3.78Å; E27-I115 HydrophobicContact CG-CD1 3.99Å
28Q88.8Confident89Confident50 Ų5051.3 Ų51.323%0.23426%0.263CS..PPolyproline II helixtrans-67.9147.6-177.7-62.1-57.2-6800113V24 Q25 E26 T32 V75V24-Q28 HydrophobicContact CG2-CG 4.15Å; Q25-Q28 HydrophobicContact CB-CG 4.25Å; Q25-Q28 WeakPolarHBondContact O-CG 3.12Å; E26-Q28 PolarHBondContact O-N 3.22Å; E26-Q28 PolarHBondContact O-NE2 3.4Å; Q28-T32 HydrophobicContact CB-CG2 4.16Å; Q28-T32 HydrophobicContact CG-CG2 4.35Å; Q28-V75 HydrophobicContact CB-CG2 4.32Å
29E88.5Confident90.5Very high155 Ų15556.2 Ų56.272%0.72428%0.282SS*.PPolyproline II helixtrans-64.3148.7177.8-69.2-72.7-177.200112.1G31 T32E29-G31 PolarHBondContact O-N 3.09Å; E29-T32 VanDerWaalsContact O-CB 3.3Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.1Å; E29-T32 VanDerWaalsContact O-N 3.11Å; E29-T32 PolarHBondContact O-OG1 3.08Å
30H90.6Very high91Very high138 Ų13855.9 Ų55.964%0.63928%0.283SS*.THydrogen-bonded Turntrans-57.7131.3174173.585.3000111.1N76H30-N76 PolarHBondContact ND1-O 3.08Å
31G90.2Very high91Very high38 Ų3856.7 Ų56.739%0.39229%0.288SS..THydrogen-bonded Turntrans87.54.7-175.500000114.9E29 F33 Y74 V75E29-G31 PolarHBondContact O-N 3.09Å; G31-F33 PolarHBondContact O-N 3.32Å; G31-Y74 WeakPolarHBondContact O-CD1 3.22Å; G31-V75 PolarHBondContact N-O 3.41Å
32T91.8Very high90.5Very high38 Ų3854.3 Ų54.323%0.23330%0.295CS..  trans-61.1132.9174.6-62.70000110.9Q28 E29 Y74 V75Q28-T32 HydrophobicContact CB-CG2 4.16Å; Q28-T32 HydrophobicContact CG-CG2 4.35Å; E29-T32 VanDerWaalsContact O-CB 3.3Å; E29-T32 WeakPolarHBondContact O-CB 3.47Å; E29-T32 PolarHBondContact O-N 3.1Å; E29-T32 VanDerWaalsContact O-N 3.11Å; E29-T32 PolarHBondContact O-OG1 3.08Å; T32-Y74 CarbonylContact O-C 3.59Å; T32-Y74 VanDerWaalsContact O-CA 3.28Å; T32-Y74 WeakPolarHBondContact O-CA 3.46Å; T32-V75 PolarHBondContact O-N 2.88Å
33F93.5Very high90Very high120 Ų12054.6 Ų54.653%0.52630%0.298SS..EExtended strand (participates in β ladder)trans-70.8128.7178.4174.1-87000111G31 N36 V72G31-F33 PolarHBondContact O-N 3.32Å; F33-N36 HydrophobicContact CE2-CB 4.34Å; F33-N36 HydrophobicContact CZ-CB 4.22Å; F33-V72 HydrophobicContact CD2-CG1 3.43Å; F33-V72 VanDerWaalsContact CD2-CG1 3.43Å; F33-V72 HydrophobicContact CE2-CG1 3.52Å; F33-V72 HydrophobicContact CE2-CG2 4.41Å
34V93Very high89.4Confident11 Ų1154.3 Ų54.37%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-104.4-42.9176.8-177.80000111.5Y22 V24 L64 L73 V75 I110Y22-V34 HydrophobicContact CD2-CG1 4.38Å; Y22-V34 HydrophobicContact CG-CG1 4.31Å; V24-V34 HydrophobicContact CB-CG1 4.38Å; V24-V34 HydrophobicContact CG2-CG2 4.09Å; V34-L64 HydrophobicContact CG2-CD2 3.98Å; V34-L73 HydrophobicContact CB-CB 4.28Å; V34-L73 HydrophobicContact CB-CD2 4.16Å; V34-L73 HydrophobicContact CB-CG 4.27Å; V34-L73 HydrophobicContact CG1-CD2 3.96Å; V34-L73 PolarHBondContact N-O 3.22Å; V34-V75 HydrophobicContact CG2-CG2 3.73Å; V34-I110 HydrophobicContact CG1-CG1 4.27Å; V34-I110 HydrophobicContact CG1-CG2 3.8Å
35G91.1Very high88.8Confident3 Ų358.9 Ų58.93%0.03132%0.316CS..EExtended strand (participates in β ladder)trans178.4166.4-176.900000113.3L73G35-L73 PolarHBondContact O-N 2.92Å
36N92.7Very high88.3Confident23 Ų2361 Ų6112%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-116.987.8-179.6-171.9-0.5000111.2Y22 F33 A38 E39 D40 T70 V72Y22-N36 VanDerWaalsContact OH-C 3.22Å; Y22-N36 PolarHBondContact OH-N 3.31Å; F33-N36 HydrophobicContact CE2-CB 4.34Å; F33-N36 HydrophobicContact CZ-CB 4.22Å; N36-A38 PolarHBondContact O-N 3.47Å; N36-A38 VanDerWaalsContact O-N 3.16Å; N36-A38 PolarHBondContact OD1-N 2.86Å; N36-E39 HydrophobicContact CB-CB 3.96Å; N36-E39 VanDerWaalsContact CG-CB 3.48Å; N36-E39 VanDerWaalsContact ND2-CB 3.27Å; N36-E39 WeakPolarHBondContact ND2-CB 3.33Å; N36-E39 PolarHBondContact ND2-OE2 2.85Å; N36-E39 PolarHBondContact O-N 3.45Å; N36-E39 VanDerWaalsContact O-N 3.07Å; N36-E39 PolarHBondContact OD1-N 3.03Å; N36-D40 PolarHBondContact O-N 2.96Å; N36-T70 PolarHBondContact OD1-O 2.98Å; N36-V72 HydrophobicContact CB-CG2 4.29Å
37I90.6Very high87.8Confident0 Ų066.8 Ų66.80%036%0.359CS..Hα-helixtrans-57.9-34.2-174.8-63.8172.3000111.7L20 Y22 L41 F53 L66 G71 L73 V97 V108L20-I37 HydrophobicContact CD2-CB 4.17Å; L20-I37 HydrophobicContact CD2-CG1 3.89Å; L20-I37 HydrophobicContact CD2-CG2 4.09Å; Y22-I37 HydrophobicContact CE2-CG1 3.86Å; Y22-I37 WeakPolarHBondContact OH-CA 3.17Å; Y22-I37 PolarHBondContact OH-N 2.8Å; I37-L41 HydrophobicContact CG2-CD1 3.6Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 VanDerWaalsContact O-CB 3.24Å; I37-L41 WeakPolarHBondContact O-CB 3.4Å; I37-L41 WeakPolarHBondContact O-CD1 3.4Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 2.78Å; I37-L41 VanDerWaalsContact O-N 3.14Å; I37-F53 HydrophobicContact CB-CZ 4.22Å; I37-F53 HydrophobicContact CG2-CE2 4.03Å; I37-F53 HydrophobicContact CG2-CZ 3.72Å; I37-L66 HydrophobicContact CD1-CD1 3.79Å; I37-L66 HydrophobicContact CD1-CD2 3.98Å; I37-G71 WeakPolarHBondContact CB-O 3.2Å; I37-G71 PolarHBondContact N-O 2.86Å; I37-L73 HydrophobicContact CD1-CB 4.37Å; I37-L73 HydrophobicContact CD1-CD1 4.43Å; I37-V97 HydrophobicContact CD1-CG1 4.18Å; I37-V97 HydrophobicContact CG2-CG2 4.09Å; I37-V108 HydrophobicContact CD1-CG1 4.33Å; I37-V108 HydrophobicContact CD1-CG2 4.05Å
38A87.5Confident87.5Confident0 Ų064.6 Ų64.60%035%0.349CS..Hα-helixtrans-70-43.9177.700000112.4N36 G42 L43 L48N36-A38 PolarHBondContact O-N 3.47Å; N36-A38 VanDerWaalsContact O-N 3.16Å; N36-A38 PolarHBondContact OD1-N 2.86Å; A38-G42 PolarHBondContact O-N 3.39Å; A38-L43 HydrophobicContact CB-CB 4.33Å; A38-L43 WeakPolarHBondContact O-CA 3.32Å; A38-L43 WeakPolarHBondContact O-CB 3.35Å; A38-L43 PolarHBondContact O-N 3.11Å; A38-L48 HydrophobicContact CB-CD1 3.64Å; A38-L48 HydrophobicContact CB-CD2 3.85Å; A38-L48 HydrophobicContact CB-CG 4.26Å
39E88.4Confident87.3Confident140 Ų14067.5 Ų67.565%0.65437%0.374SS*.Hα-helixtrans-66.6-45.8178.9-178.2168.6-166.600111.4N36 L41 G42N36-E39 HydrophobicContact CB-CB 3.96Å; N36-E39 VanDerWaalsContact CG-CB 3.48Å; N36-E39 VanDerWaalsContact ND2-CB 3.27Å; N36-E39 WeakPolarHBondContact ND2-CB 3.33Å; N36-E39 PolarHBondContact ND2-OE2 2.85Å; N36-E39 PolarHBondContact O-N 3.45Å; N36-E39 VanDerWaalsContact O-N 3.07Å; N36-E39 PolarHBondContact OD1-N 3.03Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 3.17Å; E39-G42 PolarHBondContact O-N 2.89Å
40D88.9Confident87Confident92 Ų9264.1 Ų64.149%0.49237%0.373SS..Hα-helixtrans-70.8-26.8-177.5-63.7-41.1000113.2L20 Y22 N36L20-D40 HydrophobicContact CD1-CB 4.04Å; L20-D40 HydrophobicContact CD2-CB 4.26Å; L20-D40 HydrophobicContact CG-CB 4.45Å; Y22-D40 VanDerWaalsContact CE1-OD2 3.23Å; Y22-D40 WeakPolarHBondContact CE1-OD2 3.35Å; Y22-D40 VanDerWaalsContact CZ-OD2 3.32Å; Y22-D40 PolarHBondContact OH-OD2 3.23Å; N36-D40 PolarHBondContact O-N 2.96Å
41L86.5Confident86.9Confident32 Ų3259.4 Ų59.417%0.16835%0.35CS..THydrogen-bonded Turntrans-87.61.6170.8-65.6174.5000113.6L20 I37 E39 L43 F106L20-L41 HydrophobicContact CD1-CD2 3.88Å; L20-L41 HydrophobicContact CD1-CG 4.26Å; I37-L41 HydrophobicContact CG2-CD1 3.6Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 VanDerWaalsContact O-CB 3.24Å; I37-L41 WeakPolarHBondContact O-CB 3.4Å; I37-L41 WeakPolarHBondContact O-CD1 3.4Å; I37-L41 WeakPolarHBondContact O-CG 3.36Å; I37-L41 PolarHBondContact O-N 2.78Å; I37-L41 VanDerWaalsContact O-N 3.14Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 3.17Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 HydrophobicContact CB-CD1 3.74Å; L41-L43 HydrophobicContact CB-CG 3.86Å; L41-L43 HydrophobicContact CD1-CD1 3.93Å; L41-L43 PolarHBondContact O-N 2.85Å; L41-F106 HydrophobicContact CD1-CB 4.3Å; L41-F106 HydrophobicContact CD1-CD1 4.47Å; L41-F106 HydrophobicContact CD1-CD2 3.43Å; L41-F106 VanDerWaalsContact CD1-CD2 3.43Å; L41-F106 HydrophobicContact CD1-CE2 3.75Å; L41-F106 HydrophobicContact CD1-CG 3.82Å; L41-F106 HydrophobicContact CD1-CZ 4.39Å; L41-F106 HydrophobicContact CD2-CD1 3.83Å; L41-F106 HydrophobicContact CD2-CD2 4.25Å; L41-F106 HydrophobicContact CD2-CE1 3.94Å; L41-F106 HydrophobicContact CD2-CE2 4.34Å; L41-F106 HydrophobicContact CD2-CG 3.97Å; L41-F106 HydrophobicContact CD2-CZ 4.19Å; L41-F106 HydrophobicContact CG-CD2 4.49Å
42G83.2Confident86.7Confident69 Ų6958.8 Ų58.871%0.71134%0.343SS*.THydrogen-bonded Turntrans67.424.7-17900000114.4A38 E39A38-G42 PolarHBondContact O-N 3.39Å; E39-G42 PolarHBondContact O-N 2.89Å
43L82.8Confident86.7Confident30 Ų3057.3 Ų57.316%0.15733%0.334CS..  trans-88.2121.9-178.3-62.1167.4000110.8A38 L41 I45 L48 L99A38-L43 HydrophobicContact CB-CB 4.33Å; A38-L43 WeakPolarHBondContact O-CA 3.32Å; A38-L43 WeakPolarHBondContact O-CB 3.35Å; A38-L43 PolarHBondContact O-N 3.11Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 HydrophobicContact CB-CD1 3.74Å; L41-L43 HydrophobicContact CB-CG 3.86Å; L41-L43 HydrophobicContact CD1-CD1 3.93Å; L41-L43 PolarHBondContact O-N 2.85Å; L43-I45 PolarHBondContact O-N 3.46Å; L43-L48 HydrophobicContact CB-CD2 3.83Å; L43-L48 HydrophobicContact CD1-CD2 3.95Å; L43-L99 HydrophobicContact CD1-CD1 4.21Å; L43-L99 HydrophobicContact CD1-CD2 3.7Å; L43-L99 HydrophobicContact CD2-CD2 3.57Å; L43-L99 HydrophobicContact CG-CD2 4.29Å
44D80.9Confident86.6Confident81 Ų8154.3 Ų54.343%0.43332%0.321SS..  trans-61.5119.7170.5-178.8-19.2000110.1T46 K47 L48D44-T46 PolarHBondContact O-N 3.49Å; D44-T46 WeakPolarHBondContact OD1-CB 3.42Å; D44-T46 PolarHBondContact OD1-N 2.82Å; D44-T46 PolarHBondContact OD1-OG1 2.83Å; D44-T46 PolarHBondContact OD2-OG1 3.04Å; D44-K47 HydrophobicContact CB-CB 4.49Å; D44-K47 HydrophobicContact CB-CD 4.32Å; D44-K47 HydrophobicContact CB-CG 4.24Å; D44-K47 WeakPolarHBondContact O-CA 3.48Å; D44-K47 WeakPolarHBondContact O-CB 3.47Å; D44-K47 PolarHBondContact O-N 3.46Å; D44-L48 PolarHBondContact O-N 3.4Å
45I82.1Confident86.4Confident105 Ų10554.5 Ų54.554%0.53832%0.322SS..Hα-helixtrans-51.1-32.7179.158.5173.8000112.8L43 K47 L48L43-I45 PolarHBondContact O-N 3.46Å; I45-K47 PolarHBondContact O-N 2.71Å; I45-L48 HydrophobicContact CB-CD1 4.46Å; I45-L48 HydrophobicContact CG2-CD1 4.38Å; I45-L48 PolarHBondContact O-N 2.73Å
46T80.1Confident86.4Confident107 Ų10755.7 Ų55.766%0.65633%0.329SS*.Hα-helixtrans-70.5-11.9178.968.10000113.3D44D44-T46 PolarHBondContact O-N 3.49Å; D44-T46 WeakPolarHBondContact OD1-CB 3.42Å; D44-T46 PolarHBondContact OD1-N 2.82Å; D44-T46 PolarHBondContact OD1-OG1 2.83Å; D44-T46 PolarHBondContact OD2-OG1 3.04Å
47K82Confident86.1Confident123 Ų12358.9 Ų58.954%0.53535%0.351SS..Hα-helixtrans-106.4-15-179.8-63.5-172.1-178.1175.90114.3D44 I45 S49 A50 R51D44-K47 HydrophobicContact CB-CB 4.49Å; D44-K47 HydrophobicContact CB-CD 4.32Å; D44-K47 HydrophobicContact CB-CG 4.24Å; D44-K47 WeakPolarHBondContact O-CA 3.48Å; D44-K47 WeakPolarHBondContact O-CB 3.47Å; D44-K47 PolarHBondContact O-N 3.46Å; I45-K47 PolarHBondContact O-N 2.71Å; K47-S49 PolarHBondContact O-N 2.7Å; K47-A50 CarbonylContact O-C 3.55Å; K47-A50 PolarHBondContact O-N 2.78Å; K47-A50 VanDerWaalsContact O-N 3.09Å; K47-R51 HydrophobicContact CB-CG 4.39Å; K47-R51 WeakPolarHBondContact O-CB 3.14Å; K47-R51 VanDerWaalsContact O-CG 3.29Å; K47-R51 WeakPolarHBondContact O-CG 3.36Å; K47-R51 PolarHBondContact O-N 3.47Å
48L84.6Confident85.9Confident2 Ų266.6 Ų66.61%0.0139%0.392CS..Hα-helixtrans-53.5-51.4-178-64.8172.4000112.2A38 L43 D44 I45 A50 R51 G52 F53A38-L48 HydrophobicContact CB-CD1 3.64Å; A38-L48 HydrophobicContact CB-CD2 3.85Å; A38-L48 HydrophobicContact CB-CG 4.26Å; L43-L48 HydrophobicContact CB-CD2 3.83Å; L43-L48 HydrophobicContact CD1-CD2 3.95Å; D44-L48 PolarHBondContact O-N 3.4Å; I45-L48 HydrophobicContact CB-CD1 4.46Å; I45-L48 HydrophobicContact CG2-CD1 4.38Å; I45-L48 PolarHBondContact O-N 2.73Å; L48-A50 PolarHBondContact O-N 3.28Å; L48-R51 CarbonylContact O-C 3.38Å; L48-R51 PolarHBondContact O-N 2.87Å; L48-R51 VanDerWaalsContact O-N 3.16Å; L48-G52 PolarHBondContact O-N 3.22Å; L48-G52 VanDerWaalsContact O-N 3.16Å; L48-F53 HydrophobicContact CB-CB 3.98Å; L48-F53 HydrophobicContact CB-CD1 4.49Å; L48-F53 HydrophobicContact CB-CG 4.43Å; L48-F53 HydrophobicContact CD2-CB 4.23Å; L48-F53 HydrophobicContact CD2-CD1 4.24Å; L48-F53 HydrophobicContact CD2-CD2 4.28Å; L48-F53 HydrophobicContact CD2-CG 4Å; L48-F53 WeakPolarHBondContact O-CB 3.13Å; L48-F53 PolarHBondContact O-N 2.92Å
49S83.4Confident86Confident110 Ų11067.5 Ų67.577%0.76940%0.398SS*.THydrogen-bonded Turntrans-62-39.5177.4-178.10000112.7K47 R51 G52K47-S49 PolarHBondContact O-N 2.7Å; S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å; S49-G52 PolarHBondContact O-N 3.24Å
50A83.5Confident85.9Confident84 Ų8467.3 Ų67.369%0.69439%0.392SS*.THydrogen-bonded Turntrans-72.5-24.1177.100000113.5K47 L48 G52K47-A50 CarbonylContact O-C 3.55Å; K47-A50 PolarHBondContact O-N 2.78Å; K47-A50 VanDerWaalsContact O-N 3.09Å; L48-A50 PolarHBondContact O-N 3.28Å; A50-G52 VanDerWaalsContact C-N 3.34Å
51R87.8Confident85.9Confident40 Ų4064.3 Ų64.315%0.15138%0.377CS..THydrogen-bonded Turntrans-90.310.5172.5-68.6-71.2-51.5-80.63.2112.1K47 L48 S49 F53 L99 E100 N101 P102 E104K47-R51 HydrophobicContact CB-CG 4.39Å; K47-R51 WeakPolarHBondContact O-CB 3.14Å; K47-R51 VanDerWaalsContact O-CG 3.29Å; K47-R51 WeakPolarHBondContact O-CG 3.36Å; K47-R51 PolarHBondContact O-N 3.47Å; L48-R51 CarbonylContact O-C 3.38Å; L48-R51 PolarHBondContact O-N 2.87Å; L48-R51 VanDerWaalsContact O-N 3.16Å; S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å; R51-F53 PolarHBondContact O-N 2.83Å; R51-F53 VanDerWaalsContact O-N 3.14Å; R51-L99 HydrophobicContact CB-CB 4.31Å; R51-L99 HydrophobicContact CB-CD2 3.99Å; R51-L99 HydrophobicContact CB-CG 4.36Å; R51-L99 HydrophobicContact CG-CD2 4.35Å; R51-L99 CarbonylContact O-C 3Å; R51-L99 WeakPolarHBondContact O-CA 3.32Å; R51-E100 WeakPolarHBondContact CD-O 3.42Å; R51-E100 PolarHBondContact NE-O 2.74Å; R51-E100 PolarHBondContact O-N 3.45Å; R51-N101 WeakPolarHBondContact CD-O 3.21Å; R51-N101 PolarHBondContact NE-O 3.45Å; R51-P102 PolarHBondContact NH2-O 3.2Å; R51-E104 IonicContact CZ-OE2 3.42Å; R51-E104 IonicContact NH1-OE2 3.2Å; R51-E104 PolarHBondContact NH1-OE2 3.38Å; R51-E104 IonicContact NH2-OE1 3.69Å; R51-E104 IonicContact NH2-OE2 2.69Å; R51-E104 PolarHBondContact NH2-OE2 3.48Å
52G87.2Confident86.1Confident25 Ų2566.1 Ų66.126%0.25839%0.39SS..THydrogen-bonded Turntrans57.730.1177.200000114.6L48 S49 A50 Q54L48-G52 PolarHBondContact O-N 3.22Å; L48-G52 VanDerWaalsContact O-N 3.16Å; S49-G52 PolarHBondContact O-N 3.24Å; A50-G52 VanDerWaalsContact C-N 3.34Å; G52-Q54 WeakPolarHBondContact O-CB 3.49Å; G52-Q54 PolarHBondContact O-N 2.79Å
53F91Very high86.6Confident7 Ų764.8 Ų64.83%0.03136%0.364CS..  trans-54.9121.6-175.5-178.5-111.9000111.7I37 L48 R51 L66 L68 V97 F98 L99I37-F53 HydrophobicContact CB-CZ 4.22Å; I37-F53 HydrophobicContact CG2-CE2 4.03Å; I37-F53 HydrophobicContact CG2-CZ 3.72Å; L48-F53 HydrophobicContact CB-CB 3.98Å; L48-F53 HydrophobicContact CB-CD1 4.49Å; L48-F53 HydrophobicContact CB-CG 4.43Å; L48-F53 HydrophobicContact CD2-CB 4.23Å; L48-F53 HydrophobicContact CD2-CD1 4.24Å; L48-F53 HydrophobicContact CD2-CD2 4.28Å; L48-F53 HydrophobicContact CD2-CG 4Å; L48-F53 WeakPolarHBondContact O-CB 3.13Å; L48-F53 PolarHBondContact O-N 2.92Å; R51-F53 PolarHBondContact O-N 2.83Å; R51-F53 VanDerWaalsContact O-N 3.14Å; F53-L66 HydrophobicContact CE1-CD1 4.2Å; F53-L66 HydrophobicContact CE1-CD2 3.72Å; F53-L66 HydrophobicContact CE1-CG 4.06Å; F53-L66 HydrophobicContact CZ-CD1 4.47Å; F53-L66 HydrophobicContact CZ-CD2 3.74Å; F53-L66 HydrophobicContact CZ-CG 4.46Å; F53-L68 HydrophobicContact CD1-CD2 4.41Å; F53-V97 HydrophobicContact CE2-CB 4.14Å; F53-V97 HydrophobicContact CE2-CG2 4.17Å; F53-F98 WeakPolarHBondContact CA-O 3.36Å; F53-L99 HydrophobicContact CD2-CD1 3.65Å; F53-L99 HydrophobicContact CD2-CG 3.93Å; F53-L99 HydrophobicContact CE2-CD1 4.1Å
54Q90.9Very high87.1Confident57 Ų5764.1 Ų64.127%0.26636%0.361SS..EExtended strand (participates in β ladder)trans-157.5151.9-167.8-173.957.1-101.700112.4G52 L68 V97 F98G52-Q54 WeakPolarHBondContact O-CB 3.49Å; G52-Q54 PolarHBondContact O-N 2.79Å; Q54-L68 VanDerWaalsContact NE2-CD1 3.33Å; Q54-V97 WeakPolarHBondContact O-CA 3.45Å; Q54-F98 HydrophobicContact CB-CD1 4.26Å; Q54-F98 HydrophobicContact CB-CE1 3.63Å; Q54-F98 HydrophobicContact CB-CE2 4.21Å; Q54-F98 HydrophobicContact CB-CZ 3.61Å; Q54-F98 HydrophobicContact CG-CE1 3.72Å; Q54-F98 HydrophobicContact CG-CZ 3.81Å; Q54-F98 PolarHBondContact N-O 2.74Å; Q54-F98 WeakPolarHBondContact O-CD1 3.45Å; Q54-F98 PolarHBondContact O-N 2.87Å
55T89.6Confident87.6Confident14 Ų1464.5 Ų64.59%0.08636%0.363CS..EExtended strand (participates in β ladder)trans-82.4139171.853.40000111.6R60 L66 L95 V97T55-R60 PolarHBondContact O-NH2 3.19Å; T55-R60 VanDerWaalsContact OG1-CZ 3.3Å; T55-R60 PolarHBondContact OG1-NE 2.83Å; T55-R60 PolarHBondContact OG1-NH2 2.92Å; T55-L66 HydrophobicContact CG2-CB 3.8Å; T55-L66 HydrophobicContact CG2-CD2 3.56Å; T55-L66 HydrophobicContact CG2-CG 4.27Å; T55-L95 HydrophobicContact CG2-CD1 3.97Å; T55-V97 HydrophobicContact CG2-CG1 4.29Å
56V90.4Very high88.1Confident28 Ų2859.9 Ų59.917%0.1734%0.339CS..  trans-64.9128.8172.7178.40000108.9N58 S59 E96 F98 L105V56-N58 VanDerWaalsContact C-N 3.25Å; V56-N58 PolarHBondContact O-N 2.88Å; V56-N58 VanDerWaalsContact O-N 3.12Å; V56-S59 PolarHBondContact O-N 2.91Å; V56-S59 VanDerWaalsContact O-N 3.15Å; V56-S59 PolarHBondContact O-OG 2.87Å; V56-E96 HydrophobicContact CB-CB 3.92Å; V56-E96 HydrophobicContact CG2-CB 3.63Å; V56-E96 PolarHBondContact N-O 2.68Å; V56-F98 HydrophobicContact CG2-CD1 3.95Å; V56-L105 HydrophobicContact CG2-CD1 3.9Å
57P86.9Confident88.7Confident91 Ų9157.2 Ų57.259%0.59132%0.321SS*.G310 helixtrans-57.6-32.9-172.4-29.235.9000115.4
58N87.2Confident89.1Confident162 Ų16254.2 Ų54.287%0.86631%0.31SS*.G310 helixtrans-79.7-18.8-176.6-66-7.6000113.9V56V56-N58 VanDerWaalsContact C-N 3.25Å; V56-N58 PolarHBondContact O-N 2.88Å; V56-N58 VanDerWaalsContact O-N 3.12Å
59S87.6Confident89.2Confident18 Ų1861.8 Ų61.813%0.12635%0.346CS..G310 helixtrans-998.517867.60000112.3V56 L95 E96V56-S59 PolarHBondContact O-N 2.91Å; V56-S59 VanDerWaalsContact O-N 3.15Å; V56-S59 PolarHBondContact O-OG 2.87Å; S59-L95 VanDerWaalsContact O-CD1 3.3Å; S59-L95 WeakPolarHBondContact O-CD1 3.47Å; S59-E96 VanDerWaalsContact CB-N 3.32Å; S59-E96 PolarHBondContact OG-N 3.49Å; S59-E96 PolarHBondContact OG-O 2.85Å
60R87.4Confident89.5Confident136 Ų13658.9 Ų58.951%0.51332%0.323SS..  trans-74.6131.8175.8-69.1177.4-178.6-166.7-5.9109T55T55-R60 PolarHBondContact O-NH2 3.19Å; T55-R60 VanDerWaalsContact OG1-CZ 3.3Å; T55-R60 PolarHBondContact OG1-NE 2.83Å; T55-R60 PolarHBondContact OG1-NH2 2.92Å
61T88.2Confident89.8Confident29 Ų2954.9 Ų54.918%0.17829%0.29CS..  trans-118.7142.7176.8178.10000109.4Y63 L64T61-Y63 PolarHBondContact O-N 3.05Å; T61-Y63 VanDerWaalsContact O-N 3.14Å; T61-Y63 WeakPolarHBondContact OG1-CD2 3.45Å; T61-L64 HydrophobicContact CG2-CB 3.74Å; T61-L64 HydrophobicContact CG2-CD1 3.82Å; T61-L64 HydrophobicContact CG2-CG 3.84Å; T61-L64 PolarHBondContact O-N 3.3Å
62P91.8Very high90Very high70 Ų7053.6 Ų53.646%0.45529%0.287SS..THydrogen-bonded Turntrans-56.7-27.8175.8-23.634.2000112.9L64 N76 E77P62-L64 PolarHBondContact O-N 2.76Å; P62-N76 WeakPolarHBondContact O-CB 3.16Å; P62-N76 PolarHBondContact O-ND2 3.15Å; P62-E77 HydrophobicContact CB-CG 4.38Å; P62-E77 VanDerWaalsContact CB-OE2 3.22Å; P62-E77 WeakPolarHBondContact CB-OE2 3.48Å; P62-E77 PolarHBondContact O-N 2.66Å
63Y93.2Very high90.3Very high41 Ų4152.5 Ų52.516%0.16128%0.275CS..THydrogen-bonded Turntrans-72.3-20-175.7-55.6-55.2000115.3T61 V75 N76 E77 I79 I84 L93T61-Y63 PolarHBondContact O-N 3.05Å; T61-Y63 VanDerWaalsContact O-N 3.14Å; T61-Y63 WeakPolarHBondContact OG1-CD2 3.45Å; Y63-V75 CarbonylContact O-C 3.6Å; Y63-V75 WeakPolarHBondContact O-CA 3.18Å; Y63-N76 PolarHBondContact O-N 3.06Å; Y63-E77 HydrophobicContact CD1-CB 4.07Å; Y63-I79 HydrophobicContact CD1-CG1 4.15Å; Y63-I79 HydrophobicContact CG-CG1 4.08Å; Y63-I84 HydrophobicContact CD1-CD1 4.39Å; Y63-I84 HydrophobicContact CD2-CD1 3.81Å; Y63-I84 HydrophobicContact CD2-CG1 4.49Å; Y63-I84 HydrophobicContact CE1-CD1 4.02Å; Y63-I84 HydrophobicContact CE1-CG1 4.47Å; Y63-I84 HydrophobicContact CE2-CD1 3.41Å; Y63-I84 VanDerWaalsContact CE2-CD1 3.41Å; Y63-I84 HydrophobicContact CE2-CG1 3.64Å; Y63-I84 HydrophobicContact CG-CD1 4.33Å; Y63-I84 WeakPolarHBondContact OH-CG1 3.41Å; Y63-L93 HydrophobicContact CD2-CD1 4.18Å; Y63-L93 HydrophobicContact CD2-CD2 4.19Å; Y63-L93 HydrophobicContact CG-CD1 4.49Å
64L93.1Very high90.5Very high16 Ų1655.8 Ų55.88%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-134.3125.6-170.8-60.7171.1000111.4V34 T61 P62 L73 Y74 L93 I110V34-L64 HydrophobicContact CG2-CD2 3.98Å; T61-L64 HydrophobicContact CG2-CB 3.74Å; T61-L64 HydrophobicContact CG2-CD1 3.82Å; T61-L64 HydrophobicContact CG2-CG 3.84Å; T61-L64 PolarHBondContact O-N 3.3Å; P62-L64 PolarHBondContact O-N 2.76Å; L64-L73 HydrophobicContact CB-CD1 4.23Å; L64-L73 HydrophobicContact CD1-CD2 4.36Å; L64-L73 HydrophobicContact CD2-CD2 4.48Å; L64-Y74 WeakPolarHBondContact CA-O 3.26Å; L64-L93 HydrophobicContact CD1-CB 4.24Å; L64-L93 HydrophobicContact CD1-CD1 4.02Å; L64-L93 HydrophobicContact CG-CD1 4.33Å; L64-I110 HydrophobicContact CD1-CB 4.25Å; L64-I110 HydrophobicContact CD1-CD1 3.58Å; L64-I110 HydrophobicContact CD1-CG1 3.82Å
65D92.5Very high90.6Very high89 Ų8953.1 Ų53.148%0.47628%0.275SS..EExtended strand (participates in β ladder)trans-109.7139170.2-17735.3000110.8Y74 N76D65-Y74 PolarHBondContact N-O 3.47Å; D65-Y74 PolarHBondContact O-N 2.83Å; D65-N76 HydrophobicContact CB-CB 3.87Å
66L92Very high90.8Very high8 Ų855.3 Ų55.34%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-112111179.7178.554.2000109.6I37 F53 T55 L68 G71 L73 V97I37-L66 HydrophobicContact CD1-CD1 3.79Å; I37-L66 HydrophobicContact CD1-CD2 3.98Å; F53-L66 HydrophobicContact CE1-CD1 4.2Å; F53-L66 HydrophobicContact CE1-CD2 3.72Å; F53-L66 HydrophobicContact CE1-CG 4.06Å; F53-L66 HydrophobicContact CZ-CD1 4.47Å; F53-L66 HydrophobicContact CZ-CD2 3.74Å; F53-L66 HydrophobicContact CZ-CG 4.46Å; T55-L66 HydrophobicContact CG2-CB 3.8Å; T55-L66 HydrophobicContact CG2-CD2 3.56Å; T55-L66 HydrophobicContact CG2-CG 4.27Å; L66-L68 HydrophobicContact CD2-CD2 4.46Å; L66-L68 HydrophobicContact CG-CD2 4.24Å; L66-L68 PolarHBondContact O-N 3.15Å; L66-G71 WeakPolarHBondContact CD1-O 3.44Å; L66-L73 HydrophobicContact CB-CD1 3.93Å; L66-L73 HydrophobicContact CD1-CB 4.4Å; L66-L73 HydrophobicContact CD1-CD1 4.23Å; L66-V97 HydrophobicContact CD2-CG1 3.53Å
67N91.9Very high90.9Very high51 Ų5158.9 Ų58.927%0.27330%0.301SS..  trans-68.7105.6174.3-176.2-32.6000109.9E69 T70 G71 V72 Y74N67-E69 PolarHBondContact O-N 3.4Å; N67-E69 WeakPolarHBondContact OD1-CB 3.31Å; N67-E69 PolarHBondContact OD1-N 2.93Å; N67-T70 WeakPolarHBondContact CB-OG1 3.22Å; N67-T70 VanDerWaalsContact CG-OG1 3.24Å; N67-T70 PolarHBondContact O-N 2.93Å; N67-T70 PolarHBondContact OD1-N 2.75Å; N67-T70 PolarHBondContact OD1-OG1 2.98Å; N67-G71 WeakPolarHBondContact O-CA 3.44Å; N67-G71 PolarHBondContact O-N 2.95Å; N67-V72 PolarHBondContact N-O 2.96Å; N67-Y74 HydrophobicContact CB-CD2 4.33Å; N67-Y74 HydrophobicContact CB-CE2 3.88Å
68L90.1Very high91.1Very high60 Ų6060.1 Ų60.131%0.31430%0.297SS..THydrogen-bonded Turntrans-68.9-16-175.8-53.4-178.6000113.9F53 Q54 L66F53-L68 HydrophobicContact CD1-CD2 4.41Å; Q54-L68 VanDerWaalsContact NE2-CD1 3.33Å; L66-L68 HydrophobicContact CD2-CD2 4.46Å; L66-L68 HydrophobicContact CG-CD2 4.24Å; L66-L68 PolarHBondContact O-N 3.15Å
69E88Confident91.3Very high162 Ų16252.4 Ų52.476%0.75726%0.256SS*.THydrogen-bonded Turntrans-83.7-32.8176.8-57.8-172164.400112.1N67N67-E69 PolarHBondContact O-N 3.4Å; N67-E69 WeakPolarHBondContact OD1-CB 3.31Å; N67-E69 PolarHBondContact OD1-N 2.93Å
70T89.1Confident91.6Very high49 Ų4954 Ų5430%0.30126%0.263SS..THydrogen-bonded Turntrans-108.7-23.2-174.262.20000114.1N36 N67 V72N36-T70 PolarHBondContact OD1-O 2.98Å; N67-T70 WeakPolarHBondContact CB-OG1 3.22Å; N67-T70 VanDerWaalsContact CG-OG1 3.24Å; N67-T70 PolarHBondContact O-N 2.93Å; N67-T70 PolarHBondContact OD1-N 2.75Å; N67-T70 PolarHBondContact OD1-OG1 2.98Å; T70-V72 VanDerWaalsContact C-N 3.3Å; T70-V72 WeakPolarHBondContact OG1-CB 3.48Å; T70-V72 WeakPolarHBondContact OG1-CG2 3.39Å; T70-V72 PolarHBondContact OG1-N 3.26Å
71G89.5Confident91.9Very high0 Ų047.7 Ų47.70%024%0.24CC..  trans81.64.6-16900000114.5I37 L66 N67I37-G71 WeakPolarHBondContact CB-O 3.2Å; I37-G71 PolarHBondContact N-O 2.86Å; L66-G71 WeakPolarHBondContact CD1-O 3.44Å; N67-G71 WeakPolarHBondContact O-CA 3.44Å; N67-G71 PolarHBondContact O-N 2.95Å
72V93.1Very high92.2Very high13 Ų1347.4 Ų47.48%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-86.8130.6-175-178.90000111.5F33 N36 N67 T70 Y74F33-V72 HydrophobicContact CD2-CG1 3.43Å; F33-V72 VanDerWaalsContact CD2-CG1 3.43Å; F33-V72 HydrophobicContact CE2-CG1 3.52Å; F33-V72 HydrophobicContact CE2-CG2 4.41Å; N36-V72 HydrophobicContact CB-CG2 4.29Å; N67-V72 PolarHBondContact N-O 2.96Å; T70-V72 VanDerWaalsContact C-N 3.3Å; T70-V72 WeakPolarHBondContact OG1-CB 3.48Å; T70-V72 WeakPolarHBondContact OG1-CG2 3.39Å; T70-V72 PolarHBondContact OG1-N 3.26Å; V72-Y74 HydrophobicContact CB-CE2 3.84Å; V72-Y74 HydrophobicContact CG1-CD1 4.16Å; V72-Y74 HydrophobicContact CG1-CD2 4.21Å; V72-Y74 HydrophobicContact CG1-CE1 3.58Å; V72-Y74 HydrophobicContact CG1-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CG 4.46Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.03Å
73L93.5Very high92.3Very high1 Ų150.5 Ų50.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-92.8129.2175.7-165.971.4000110.1Y22 V34 G35 I37 L64 L66 L95 I110Y22-L73 HydrophobicContact CD2-CD2 4.3Å; V34-L73 HydrophobicContact CB-CB 4.28Å; V34-L73 HydrophobicContact CB-CD2 4.16Å; V34-L73 HydrophobicContact CB-CG 4.27Å; V34-L73 HydrophobicContact CG1-CD2 3.96Å; V34-L73 PolarHBondContact N-O 3.22Å; G35-L73 PolarHBondContact O-N 2.92Å; I37-L73 HydrophobicContact CD1-CB 4.37Å; I37-L73 HydrophobicContact CD1-CD1 4.43Å; L64-L73 HydrophobicContact CB-CD1 4.23Å; L64-L73 HydrophobicContact CD1-CD2 4.36Å; L64-L73 HydrophobicContact CD2-CD2 4.48Å; L66-L73 HydrophobicContact CB-CD1 3.93Å; L66-L73 HydrophobicContact CD1-CB 4.4Å; L66-L73 HydrophobicContact CD1-CD1 4.23Å; L73-L95 HydrophobicContact CD1-CD2 3.53Å; L73-L95 HydrophobicContact CD2-CD2 4.28Å; L73-I110 HydrophobicContact CD2-CD1 4.08Å; L73-I110 HydrophobicContact CD2-CG1 3.9Å
74Y94.4Very high92.2Very high76 Ų7651.1 Ų51.130%0.29825%0.25SS..EExtended strand (participates in β ladder)trans-124.5150.8-179.1-60.9-75.3000111.5G31 T32 L64 D65 N67 V72 N76G31-Y74 WeakPolarHBondContact O-CD1 3.22Å; T32-Y74 CarbonylContact O-C 3.59Å; T32-Y74 VanDerWaalsContact O-CA 3.28Å; T32-Y74 WeakPolarHBondContact O-CA 3.46Å; L64-Y74 WeakPolarHBondContact CA-O 3.26Å; D65-Y74 PolarHBondContact N-O 3.47Å; D65-Y74 PolarHBondContact O-N 2.83Å; N67-Y74 HydrophobicContact CB-CD2 4.33Å; N67-Y74 HydrophobicContact CB-CE2 3.88Å; V72-Y74 HydrophobicContact CB-CE2 3.84Å; V72-Y74 HydrophobicContact CG1-CD1 4.16Å; V72-Y74 HydrophobicContact CG1-CD2 4.21Å; V72-Y74 HydrophobicContact CG1-CE1 3.58Å; V72-Y74 HydrophobicContact CG1-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CG 4.46Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.03Å; Y74-N76 PolarHBondContact O-N 2.78Å
75V93.2Very high92.2Very high1 Ų151.5 Ų51.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-69.1125.3167.8179.50000109.4V24 Q28 G31 T32 V34 Y63 E77 I79V24-V75 HydrophobicContact CG2-CG2 4.12Å; Q28-V75 HydrophobicContact CB-CG2 4.32Å; G31-V75 PolarHBondContact N-O 3.41Å; T32-V75 PolarHBondContact O-N 2.88Å; V34-V75 HydrophobicContact CG2-CG2 3.73Å; Y63-V75 CarbonylContact O-C 3.6Å; Y63-V75 WeakPolarHBondContact O-CA 3.18Å; V75-E77 VanDerWaalsContact CG1-O 3.29Å; V75-E77 WeakPolarHBondContact CG1-O 3.11Å; V75-I79 HydrophobicContact CG1-CD1 4.29Å; V75-I79 HydrophobicContact CG1-CG1 4.4Å; V75-I79 HydrophobicContact CG2-CD1 4.21Å
76N92.9Very high92.1Very high60 Ų6053.4 Ų53.432%0.32126%0.258SS..  trans-107.5-41.5-177176.266.4000113.3H30 P62 Y63 D65 Y74H30-N76 PolarHBondContact ND1-O 3.08Å; P62-N76 WeakPolarHBondContact O-CB 3.16Å; P62-N76 PolarHBondContact O-ND2 3.15Å; Y63-N76 PolarHBondContact O-N 3.06Å; D65-N76 HydrophobicContact CB-CB 3.87Å; Y74-N76 PolarHBondContact O-N 2.78Å
77E92.6Very high91.9Very high104 Ų10457.4 Ų57.449%0.48628%0.276SS..SBendtrans-119.7152167.8-73.2-175.7-17900108.8P62 Y63 V75 I79P62-E77 HydrophobicContact CB-CG 4.38Å; P62-E77 VanDerWaalsContact CB-OE2 3.22Å; P62-E77 WeakPolarHBondContact CB-OE2 3.48Å; P62-E77 PolarHBondContact O-N 2.66Å; Y63-E77 HydrophobicContact CD1-CB 4.07Å; V75-E77 VanDerWaalsContact CG1-O 3.29Å; V75-E77 WeakPolarHBondContact CG1-O 3.11Å; E77-I79 PolarHBondContact O-N 3.25Å
78K91.6Very high91.8Very high116 Ų11657.5 Ų57.550%0.50428%0.281SS..  trans-59.2127179.7-157.1-176.9-167.8-1570109.3E27E27-K78 WeakPolarHBondContact O-CE 3.42Å; E27-K78 WeakPolarHBondContact OE1-CD 3.08Å; E27-K78 WeakPolarHBondContact OE1-CE 3.35Å; E27-K78 WeakPolarHBondContact OE1-CG 3.4Å; E27-K78 IonicContact OE1-NZ 2.71Å; E27-K78 PolarHBondContact OE1-NZ 3.45Å; E27-K78 VanDerWaalsContact OE1-NZ 3.16Å; E27-K78 WeakPolarHBondContact OE2-CE 3.28Å; E27-K78 IonicContact OE2-NZ 2.92Å; E27-K78 PolarHBondContact OE2-NZ 2.83Å
79I92.3Very high91.6Very high0 Ų060.4 Ų60.40%030%0.304CS..  trans-86.4112.1179.9-65.3168.2000106.9V24 E26 E27 Y63 V75 E77 I84 L93 V112V24-I79 HydrophobicContact CG1-CD1 3.89Å; E26-I79 HydrophobicContact CB-CG2 4.25Å; E26-I79 WeakPolarHBondContact CB-O 3.16Å; E27-I79 WeakPolarHBondContact CA-O 3.38Å; E27-I79 PolarHBondContact N-O 2.55Å; Y63-I79 HydrophobicContact CD1-CG1 4.15Å; Y63-I79 HydrophobicContact CG-CG1 4.08Å; V75-I79 HydrophobicContact CG1-CD1 4.29Å; V75-I79 HydrophobicContact CG1-CG1 4.4Å; V75-I79 HydrophobicContact CG2-CD1 4.21Å; E77-I79 PolarHBondContact O-N 3.25Å; I79-I84 HydrophobicContact CG2-CD1 3.85Å; I79-L93 HydrophobicContact CD1-CD1 4.41Å; I79-V112 HydrophobicContact CG2-CB 4.35Å; I79-V112 HydrophobicContact CG2-CG1 3.5Å; I79-V112 HydrophobicContact CG2-CG2 3.85Å
80D93.9Very high91.8Very high51 Ų5156.6 Ų56.627%0.27330%0.295SS..  trans-107.1109.1172.7170-23.3000106.6E82 Q83 I84D80-E82 PolarHBondContact OD1-N 3.05Å; D80-Q83 HydrophobicContact CB-CB 3.94Å; D80-Q83 PolarHBondContact O-N 2.85Å; D80-Q83 VanDerWaalsContact OD1-CB 3.26Å; D80-Q83 WeakPolarHBondContact OD1-CB 3.14Å; D80-Q83 PolarHBondContact OD1-N 2.78Å; D80-Q83 WeakPolarHBondContact OD2-CB 3.26Å; D80-I84 VanDerWaalsContact O-CD1 3.27Å; D80-I84 WeakPolarHBondContact O-CD1 3.32Å; D80-I84 WeakPolarHBondContact O-CG1 3.1Å; D80-I84 PolarHBondContact O-N 2.88Å
81R93.9Very high92Very high5 Ų554.5 Ų54.52%0.01928%0.282CS..Hα-helixtrans-72.6-34.8-172.9-167.7-160.370.582-0.2110.5E26 Q83 I84 C85 K86 S88 C91 V112 D114E26-R81 HydrophobicContact CB-CB 4.13Å; E26-R81 HydrophobicContact CG-CB 4.4Å; E26-R81 WeakPolarHBondContact OE1-CB 3.48Å; E26-R81 IonicContact OE1-NE 3.55Å; E26-R81 WeakPolarHBondContact OE2-CA 3.43Å; E26-R81 WeakPolarHBondContact OE2-CB 3.34Å; E26-R81 PolarHBondContact OE2-N 3.36Å; R81-Q83 VanDerWaalsContact C-N 3.29Å; R81-Q83 PolarHBondContact O-N 2.82Å; R81-I84 PolarHBondContact O-N 3.07Å; R81-C85 HydrophobicContact CG-CB 4.37Å; R81-C85 CarbonylContact O-C 3.56Å; R81-C85 WeakPolarHBondContact O-CA 3.5Å; R81-C85 WeakPolarHBondContact O-CB 3.41Å; R81-C85 PolarHBondContact O-N 3.28Å; R81-K86 PolarHBondContact NH1-O 2.82Å; R81-K86 PolarHBondContact O-N 2.95Å; R81-S88 PolarHBondContact NH1-O 3.06Å; R81-C91 HydrophobicContact CG-CB 3.84Å; R81-V112 HydrophobicContact CB-CG1 4Å; R81-V112 HydrophobicContact CG-CG1 3.94Å; R81-D114 IonicContact CZ-OD1 2.94Å; R81-D114 IonicContact NE-OD1 3.92Å; R81-D114 PolarHBondContact NE-OD1 3Å; R81-D114 IonicContact NH1-OD1 3.21Å; R81-D114 IonicContact NH2-OD1 3.21Å; R81-D114 PolarHBondContact NH2-OD1 3.45Å
82E93.2Very high92.2Very high23 Ų2356.8 Ų56.811%0.10730%0.296CS..Hα-helixtrans-65.5-34.4176.6-72.556.2-113.400110.7E26 D80 K86 P149E26-E82 VanDerWaalsContact OE2-OE2 3.13Å; D80-E82 PolarHBondContact OD1-N 3.05Å; E82-K86 WeakPolarHBondContact O-CA 3.15Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.02Å; E82-K86 VanDerWaalsContact O-N 3.14Å; E82-P149 HydrophobicContact CG-CB 3.59Å
83Q93.3Very high92.1Very high135 Ų13557 Ų5763%0.63130%0.297SS*.Hα-helixtrans-74.4-43.1174.6-175.7178.6-42.300112.1D80 R81D80-Q83 HydrophobicContact CB-CB 3.94Å; D80-Q83 PolarHBondContact O-N 2.85Å; D80-Q83 VanDerWaalsContact OD1-CB 3.26Å; D80-Q83 WeakPolarHBondContact OD1-CB 3.14Å; D80-Q83 PolarHBondContact OD1-N 2.78Å; D80-Q83 WeakPolarHBondContact OD2-CB 3.26Å; R81-Q83 VanDerWaalsContact C-N 3.29Å; R81-Q83 PolarHBondContact O-N 2.82Å
84I91.7Very high92Very high54 Ų5462.7 Ų62.728%0.27732%0.323SS..Hα-helixtrans-77.5-49.2-175.8-62160.9000111.5Y63 I79 D80 R81 L93Y63-I84 HydrophobicContact CD1-CD1 4.39Å; Y63-I84 HydrophobicContact CD2-CD1 3.81Å; Y63-I84 HydrophobicContact CD2-CG1 4.49Å; Y63-I84 HydrophobicContact CE1-CD1 4.02Å; Y63-I84 HydrophobicContact CE1-CG1 4.47Å; Y63-I84 HydrophobicContact CE2-CD1 3.41Å; Y63-I84 VanDerWaalsContact CE2-CD1 3.41Å; Y63-I84 HydrophobicContact CE2-CG1 3.64Å; Y63-I84 HydrophobicContact CG-CD1 4.33Å; Y63-I84 WeakPolarHBondContact OH-CG1 3.41Å; I79-I84 HydrophobicContact CG2-CD1 3.85Å; D80-I84 VanDerWaalsContact O-CD1 3.27Å; D80-I84 WeakPolarHBondContact O-CD1 3.32Å; D80-I84 WeakPolarHBondContact O-CG1 3.1Å; D80-I84 PolarHBondContact O-N 2.88Å; R81-I84 PolarHBondContact O-N 3.07Å; I84-L93 HydrophobicContact CG2-CD2 4.31Å
85C92.6Very high91.9Very high24 Ų2459.4 Ų59.416%0.16231%0.31CS..THydrogen-bonded Turntrans-117.4-20.3-167.4-710000113.6R81 S88 C91R81-C85 HydrophobicContact CG-CB 4.37Å; R81-C85 CarbonylContact O-C 3.56Å; R81-C85 WeakPolarHBondContact O-CA 3.5Å; R81-C85 WeakPolarHBondContact O-CB 3.41Å; R81-C85 PolarHBondContact O-N 3.28Å; C85-S88 WeakPolarHBondContact O-CB 3.26Å; C85-S88 PolarHBondContact O-N 3.04Å; C85-S88 PolarHBondContact O-OG 3.06Å; C85-C91 HydrophobicContact CB-CB 3.62Å; C85-C91 WeakPolarHBondContact CB-SG 3.24Å; C85-C91 WeakPolarHBondContact SG-CA 3.15Å; C85-C91 WeakPolarHBondContact SG-CB 3.14Å; C85-C91 CovalentContact SG-SG 2.03Å; C85-C91 PolarHBondContact SG-SG 2.84Å
86K91Very high91.8Very high129 Ų12962.2 Ų62.256%0.56132%0.323SS*.THydrogen-bonded Turntrans54.4-144.4-175-55177.1178.1-169.20110.3R81 E82 S88R81-K86 PolarHBondContact NH1-O 2.82Å; R81-K86 PolarHBondContact O-N 2.95Å; E82-K86 WeakPolarHBondContact O-CA 3.15Å; E82-K86 WeakPolarHBondContact O-CG 3.43Å; E82-K86 PolarHBondContact O-N 3.02Å; E82-K86 VanDerWaalsContact O-N 3.14Å; K86-S88 PolarHBondContact O-N 3.13Å
87Q87.6Confident91.7Very high91 Ų9159.3 Ų59.343%0.42531%0.308SS..THydrogen-bonded Turntrans-71.321.7179.4-6167.147.700113.7F147 P149 V151Q87-F147 HydrophobicContact CG-CE2 4.48Å; Q87-F147 HydrophobicContact CG-CZ 4.08Å; Q87-P149 PolarHBondContact NE2-O 3.04Å; Q87-V151 HydrophobicContact CB-CG2 4.31Å
88S89.8Confident91.6Very high53 Ų5356.8 Ų56.837%0.37130%0.295SS..  trans-72.4130.8175.4-59.80000110.1R81 C85 K86 S90R81-S88 PolarHBondContact NH1-O 3.06Å; C85-S88 WeakPolarHBondContact O-CB 3.26Å; C85-S88 PolarHBondContact O-N 3.04Å; C85-S88 PolarHBondContact O-OG 3.06Å; K86-S88 PolarHBondContact O-N 3.13Å; S88-S90 PolarHBondContact O-N 3.03Å; S88-S90 VanDerWaalsContact O-N 3.16Å
89P87Confident91.5Very high122 Ų12251.2 Ų51.279%0.79227%0.271SS*.SBendtrans-71.9-8-17630.2-37.2000114.6
90S90.7Very high91.3Very high82 Ų8255.4 Ų55.457%0.57329%0.291SS*.  trans-138123.617658.20000108.7S88S88-S90 PolarHBondContact O-N 3.03Å; S88-S90 VanDerWaalsContact O-N 3.16Å
91C93.6Very high90.8Very high4 Ų459.3 Ų59.33%0.02731%0.311CS..  trans-119.2110.3175.6-166.20000109.2R81 C85 E111 V112R81-C91 HydrophobicContact CG-CB 3.84Å; C85-C91 HydrophobicContact CB-CB 3.62Å; C85-C91 WeakPolarHBondContact CB-SG 3.24Å; C85-C91 WeakPolarHBondContact SG-CA 3.15Å; C85-C91 WeakPolarHBondContact SG-CB 3.14Å; C85-C91 CovalentContact SG-SG 2.03Å; C85-C91 PolarHBondContact SG-SG 2.84Å; C91-E111 WeakPolarHBondContact O-CA 3.19Å; C91-V112 HydrophobicContact CB-CB 4.07Å; C91-V112 PolarHBondContact O-N 3.29Å
92V93.5Very high90.4Very high49 Ų4962.7 Ų62.730%0.29733%0.334SS..EExtended strand (participates in β ladder)trans-129.7123.4-175.6-178.10000109.4E109 I110V92-E109 HydrophobicContact CG1-CB 3.82Å; V92-E109 HydrophobicContact CG1-CG 4.37Å; V92-I110 WeakPolarHBondContact CA-O 3.28Å
93L92.1Very high90Very high18 Ų1868.5 Ų68.59%0.09437%0.365CS..EExtended strand (participates in β ladder)trans-89.2121.3169.7-61.5176.8000108.7Y63 L64 I79 I84 I110 V112Y63-L93 HydrophobicContact CD2-CD1 4.18Å; Y63-L93 HydrophobicContact CD2-CD2 4.19Å; Y63-L93 HydrophobicContact CG-CD1 4.49Å; L64-L93 HydrophobicContact CD1-CB 4.24Å; L64-L93 HydrophobicContact CD1-CD1 4.02Å; L64-L93 HydrophobicContact CG-CD1 4.33Å; I79-L93 HydrophobicContact CD1-CD1 4.41Å; I84-L93 HydrophobicContact CG2-CD2 4.31Å; L93-I110 HydrophobicContact CB-CB 4.32Å; L93-I110 PolarHBondContact N-O 3.09Å; L93-I110 WeakPolarHBondContact O-CD1 2.97Å; L93-I110 PolarHBondContact O-N 3.45Å; L93-V112 HydrophobicContact CD1-CG2 4.03Å; L93-V112 HydrophobicContact CG-CG2 4.03Å
94H91.2Very high89.8Confident120 Ų12065.2 Ų65.256%0.55635%0.35SS*.EExtended strand (participates in β ladder)trans-95.7120.4177.5-64.4-79.8000111E109H94-E109 IonicContact CE1-OE1 3.28Å; H94-E109 PolarHBondContact CE1-OE1 3.18Å; H94-E109 VanDerWaalsContact CE1-OE1 3.28Å; H94-E109 IonicContact ND1-OE1 3.42Å; H94-E109 PolarHBondContact ND1-OE1 2.72Å
95L91.4Very high89.7Confident7 Ų766.5 Ų66.54%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-119.5138173.9175.566.2000109.2T55 S59 L73 V97 V108 I110T55-L95 HydrophobicContact CG2-CD1 3.97Å; S59-L95 VanDerWaalsContact O-CD1 3.3Å; S59-L95 WeakPolarHBondContact O-CD1 3.47Å; L73-L95 HydrophobicContact CD1-CD2 3.53Å; L73-L95 HydrophobicContact CD2-CD2 4.28Å; L95-V97 HydrophobicContact CD2-CG1 4.42Å; L95-V97 HydrophobicContact CG-CG1 4.34Å; L95-V108 HydrophobicContact CB-CB 4.2Å; L95-V108 PolarHBondContact N-O 3Å; L95-V108 WeakPolarHBondContact O-CA 3.38Å; L95-V108 WeakPolarHBondContact O-CB 3.33Å; L95-V108 PolarHBondContact O-N 2.67Å; L95-V108 VanDerWaalsContact O-O 3.12Å; L95-I110 HydrophobicContact CB-CD1 4.07Å
96E91.9Very high89.5Confident59 Ų5966.5 Ų66.528%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-114.6135.4172.3-61.4-170.815200110V56 S59 L105 F106 Q107V56-E96 HydrophobicContact CB-CB 3.92Å; V56-E96 HydrophobicContact CG2-CB 3.63Å; V56-E96 PolarHBondContact N-O 2.68Å; S59-E96 VanDerWaalsContact CB-N 3.32Å; S59-E96 PolarHBondContact OG-N 3.49Å; S59-E96 PolarHBondContact OG-O 2.85Å; E96-L105 HydrophobicContact CB-CD1 4.34Å; E96-F106 WeakPolarHBondContact CA-O 3.15Å; E96-Q107 HydrophobicContact CG-CG 4.38Å; E96-Q107 PolarHBondContact OE1-NE2 3.07Å
97V91.1Very high89.6Confident0 Ų063.7 Ų63.70%034%0.343CS..EExtended strand (participates in β ladder)trans-124.6144177.4-58.20000109.8I37 F53 Q54 T55 L66 L95 F106 V108I37-V97 HydrophobicContact CD1-CG1 4.18Å; I37-V97 HydrophobicContact CG2-CG2 4.09Å; F53-V97 HydrophobicContact CE2-CB 4.14Å; F53-V97 HydrophobicContact CE2-CG2 4.17Å; Q54-V97 WeakPolarHBondContact O-CA 3.45Å; T55-V97 HydrophobicContact CG2-CG1 4.29Å; L66-V97 HydrophobicContact CD2-CG1 3.53Å; L95-V97 HydrophobicContact CD2-CG1 4.42Å; L95-V97 HydrophobicContact CG-CG1 4.34Å; V97-F106 HydrophobicContact CG2-CB 3.81Å; V97-F106 HydrophobicContact CG2-CD2 4.41Å; V97-F106 PolarHBondContact N-O 2.76Å; V97-F106 PolarHBondContact O-N 3.14Å; V97-V108 HydrophobicContact CG1-CG2 4.38Å; V97-V108 HydrophobicContact CG2-CG2 4.15Å
98F91Very high89.7Confident50 Ų5059.4 Ų59.422%0.21932%0.323CS..EExtended strand (participates in β ladder)trans-130.4155178.973.8-87.8000112.5F53 Q54 V56 E100 E104 L105F53-F98 WeakPolarHBondContact CA-O 3.36Å; Q54-F98 HydrophobicContact CB-CD1 4.26Å; Q54-F98 HydrophobicContact CB-CE1 3.63Å; Q54-F98 HydrophobicContact CB-CE2 4.21Å; Q54-F98 HydrophobicContact CB-CZ 3.61Å; Q54-F98 HydrophobicContact CG-CE1 3.72Å; Q54-F98 HydrophobicContact CG-CZ 3.81Å; Q54-F98 PolarHBondContact N-O 2.74Å; Q54-F98 WeakPolarHBondContact O-CD1 3.45Å; Q54-F98 PolarHBondContact O-N 2.87Å; V56-F98 HydrophobicContact CG2-CD1 3.95Å; F98-E100 HydrophobicContact CD2-CG 4.32Å; F98-E100 HydrophobicContact CE2-CG 4.13Å; F98-E104 CarbonylContact C-O 3.56Å; F98-E104 WeakPolarHBondContact CA-O 3.49Å; F98-E104 WeakPolarHBondContact CB-O 3.19Å; F98-L105 HydrophobicContact CB-CD1 4.09Å
99L89.4Confident89.9Confident0 Ų059 Ų590%032%0.315CS..EExtended strand (participates in β ladder)trans-123.6157169.5-67.475.3000108.8L43 R51 F53 L103 E104 F106L43-L99 HydrophobicContact CD1-CD1 4.21Å; L43-L99 HydrophobicContact CD1-CD2 3.7Å; L43-L99 HydrophobicContact CD2-CD2 3.57Å; L43-L99 HydrophobicContact CG-CD2 4.29Å; R51-L99 HydrophobicContact CB-CB 4.31Å; R51-L99 HydrophobicContact CB-CD2 3.99Å; R51-L99 HydrophobicContact CB-CG 4.36Å; R51-L99 HydrophobicContact CG-CD2 4.35Å; R51-L99 CarbonylContact O-C 3Å; R51-L99 WeakPolarHBondContact O-CA 3.32Å; F53-L99 HydrophobicContact CD2-CD1 3.65Å; F53-L99 HydrophobicContact CD2-CG 3.93Å; F53-L99 HydrophobicContact CE2-CD1 4.1Å; L99-L103 VanDerWaalsContact O-CA 3.26Å; L99-L103 WeakPolarHBondContact O-CA 3.07Å; L99-E104 HydrophobicContact CB-CB 4.38Å; L99-E104 PolarHBondContact N-O 3.29Å; L99-E104 PolarHBondContact O-N 2.68Å; L99-F106 HydrophobicContact CD1-CD2 3.91Å; L99-F106 HydrophobicContact CD1-CE2 3.73Å
100E88.3Confident90.3Very high88 Ų8853.1 Ų53.141%0.41128%0.277SS..THydrogen-bonded Turntrans-112.2153.5175-55.5-173.7155.800110.7R51 F98 P102 L103R51-E100 WeakPolarHBondContact CD-O 3.42Å; R51-E100 PolarHBondContact NE-O 2.74Å; R51-E100 PolarHBondContact O-N 3.45Å; F98-E100 HydrophobicContact CD2-CG 4.32Å; F98-E100 HydrophobicContact CE2-CG 4.13Å; E100-P102 VanDerWaalsContact C-C 3.5Å; E100-P102 CarbonylContact C-O 3.6Å; E100-P102 WeakPolarHBondContact CA-O 3.45Å; E100-L103 HydrophobicContact CB-CD2 4.48Å; E100-L103 HydrophobicContact CG-CD2 4.17Å
101N83.5Confident90.4Very high132 Ų13253.7 Ų53.771%0.70627%0.271SS*.THydrogen-bonded Turntrans54.367.4175.2-54.6-58.8000116.3R51R51-N101 WeakPolarHBondContact CD-O 3.21Å; R51-N101 PolarHBondContact NE-O 3.45Å
102P83.8Confident90.4Very high77 Ų7753.8 Ų53.850%0.527%0.271SS..THydrogen-bonded Turncis-77.4162.30.532.3-37.8000113.1R51 E100 E104R51-P102 PolarHBondContact NH2-O 3.2Å; E100-P102 VanDerWaalsContact C-C 3.5Å; E100-P102 CarbonylContact C-O 3.6Å; E100-P102 WeakPolarHBondContact CA-O 3.45Å; P102-E104 HydrophobicContact CG-CG 4.24Å; P102-E104 WeakPolarHBondContact CG-OE1 3.11Å; P102-E104 PolarHBondContact O-N 3.49Å
103L86Confident90.4Very high144 Ų14454.6 Ų54.675%0.75427%0.274SS*.THydrogen-bonded Turntrans-71.6115.4171.7-79.8165.2000109.6L99 E100L99-L103 VanDerWaalsContact O-CA 3.26Å; L99-L103 WeakPolarHBondContact O-CA 3.07Å; E100-L103 HydrophobicContact CB-CD2 4.48Å; E100-L103 HydrophobicContact CG-CD2 4.17Å
104E88.2Confident90.3Very high66 Ų6655.4 Ų55.431%0.30828%0.278SS..EExtended strand (participates in β ladder)trans-128.1138.4178.4-70.4165.3175.400108R51 F98 L99 P102 F106R51-E104 IonicContact CZ-OE2 3.42Å; R51-E104 IonicContact NH1-OE2 3.2Å; R51-E104 PolarHBondContact NH1-OE2 3.38Å; R51-E104 IonicContact NH2-OE1 3.69Å; R51-E104 IonicContact NH2-OE2 2.69Å; R51-E104 PolarHBondContact NH2-OE2 3.48Å; F98-E104 CarbonylContact C-O 3.56Å; F98-E104 WeakPolarHBondContact CA-O 3.49Å; F98-E104 WeakPolarHBondContact CB-O 3.19Å; L99-E104 HydrophobicContact CB-CB 4.38Å; L99-E104 PolarHBondContact N-O 3.29Å; L99-E104 PolarHBondContact O-N 2.68Å; P102-E104 HydrophobicContact CG-CG 4.24Å; P102-E104 WeakPolarHBondContact CG-OE1 3.11Å; P102-E104 PolarHBondContact O-N 3.49Å; E104-F106 HydrophobicContact CB-CE2 3.82Å; E104-F106 HydrophobicContact CB-CZ 3.95Å
105L89Confident90.3Very high81 Ų8150.8 Ų50.842%0.42426%0.257SS..EExtended strand (participates in β ladder)trans-126.8130179.1179.871.9000108.1V56 E96 F98V56-L105 HydrophobicContact CG2-CD1 3.9Å; E96-L105 HydrophobicContact CB-CD1 4.34Å; F98-L105 HydrophobicContact CB-CD1 4.09Å
106F90.1Very high90.2Very high25 Ų2551.2 Ų51.211%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-126137-179.4-57.6-68.8000110.2L41 E96 V97 L99 E104L41-F106 HydrophobicContact CD1-CB 4.3Å; L41-F106 HydrophobicContact CD1-CD1 4.47Å; L41-F106 HydrophobicContact CD1-CD2 3.43Å; L41-F106 VanDerWaalsContact CD1-CD2 3.43Å; L41-F106 HydrophobicContact CD1-CE2 3.75Å; L41-F106 HydrophobicContact CD1-CG 3.82Å; L41-F106 HydrophobicContact CD1-CZ 4.39Å; L41-F106 HydrophobicContact CD2-CD1 3.83Å; L41-F106 HydrophobicContact CD2-CD2 4.25Å; L41-F106 HydrophobicContact CD2-CE1 3.94Å; L41-F106 HydrophobicContact CD2-CE2 4.34Å; L41-F106 HydrophobicContact CD2-CG 3.97Å; L41-F106 HydrophobicContact CD2-CZ 4.19Å; L41-F106 HydrophobicContact CG-CD2 4.49Å; E96-F106 WeakPolarHBondContact CA-O 3.15Å; V97-F106 HydrophobicContact CG2-CB 3.81Å; V97-F106 HydrophobicContact CG2-CD2 4.41Å; V97-F106 PolarHBondContact N-O 2.76Å; V97-F106 PolarHBondContact O-N 3.14Å; L99-F106 HydrophobicContact CD1-CD2 3.91Å; L99-F106 HydrophobicContact CD1-CE2 3.73Å; E104-F106 HydrophobicContact CB-CE2 3.82Å; E104-F106 HydrophobicContact CB-CZ 3.95Å
107Q91.4Very high90.1Very high70 Ų7050.3 Ų50.333%0.32726%0.257SS..EExtended strand (participates in β ladder)trans-93.8134.1172.6-68.2-176.7-34.800108.6Q19 L20 E96Q19-Q107 HydrophobicContact CG-CB 4.38Å; L20-Q107 PolarHBondContact N-O 2.95Å; E96-Q107 HydrophobicContact CG-CG 4.38Å; E96-Q107 PolarHBondContact OE1-NE2 3.07Å
108V91.5Very high90.1Very high1 Ų152.5 Ų52.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-122.4113.7179.5-173.60000106.8L20 Y22 I37 L95 V97 I110L20-V108 HydrophobicContact CB-CB 4.45Å; L20-V108 HydrophobicContact CB-CG1 4.34Å; L20-V108 HydrophobicContact CB-CG2 4.13Å; L20-V108 HydrophobicContact CD2-CG2 4.39Å; L20-V108 CarbonylContact O-C 3.51Å; L20-V108 WeakPolarHBondContact O-CA 3.37Å; Y22-V108 HydrophobicContact CD2-CG1 3.81Å; Y22-V108 HydrophobicContact CE2-CG1 3.9Å; I37-V108 HydrophobicContact CD1-CG1 4.33Å; I37-V108 HydrophobicContact CD1-CG2 4.05Å; L95-V108 HydrophobicContact CB-CB 4.2Å; L95-V108 PolarHBondContact N-O 3Å; L95-V108 WeakPolarHBondContact O-CA 3.38Å; L95-V108 WeakPolarHBondContact O-CB 3.33Å; L95-V108 PolarHBondContact O-N 2.67Å; L95-V108 VanDerWaalsContact O-O 3.12Å; V97-V108 HydrophobicContact CG1-CG2 4.38Å; V97-V108 HydrophobicContact CG2-CG2 4.15Å; V108-I110 HydrophobicContact CB-CD1 4.43Å; V108-I110 HydrophobicContact CG1-CD1 3.79Å; V108-I110 HydrophobicContact CG1-CG1 4.35Å
109E94Very high90.2Very high43 Ų4353 Ų5320%0.20128%0.276CS..EExtended strand (participates in β ladder)trans-104.4120.9177.7-60.7-165.8165.100108.7L20 H21 Y22 V92 H94L20-E109 PolarHBondContact O-N 3.02Å; H21-E109 WeakPolarHBondContact CA-O 3.14Å; H21-E109 IonicContact CE1-OE2 3.17Å; H21-E109 PolarHBondContact CE1-OE2 3.43Å; H21-E109 IonicContact ND1-OE2 3.58Å; Y22-E109 PolarHBondContact N-O 2.67Å; V92-E109 HydrophobicContact CG1-CB 3.82Å; V92-E109 HydrophobicContact CG1-CG 4.37Å; H94-E109 IonicContact CE1-OE1 3.28Å; H94-E109 PolarHBondContact CE1-OE1 3.18Å; H94-E109 VanDerWaalsContact CE1-OE1 3.28Å; H94-E109 IonicContact ND1-OE1 3.42Å; H94-E109 PolarHBondContact ND1-OE1 2.72Å
110I93.7Very high90.4Very high0 Ų053 Ų530%028%0.277CS..EExtended strand (participates in β ladder)trans-110.1104.3178.7-53.384.1000107.4Y22 V24 V34 L64 L73 V92 L93 L95 V108Y22-I110 CarbonylContact O-C 3.54Å; Y22-I110 WeakPolarHBondContact O-CA 3.31Å; V24-I110 HydrophobicContact CB-CG2 4.19Å; V24-I110 HydrophobicContact CG1-CG2 3.66Å; V34-I110 HydrophobicContact CG1-CG1 4.27Å; V34-I110 HydrophobicContact CG1-CG2 3.8Å; L64-I110 HydrophobicContact CD1-CB 4.25Å; L64-I110 HydrophobicContact CD1-CD1 3.58Å; L64-I110 HydrophobicContact CD1-CG1 3.82Å; L73-I110 HydrophobicContact CD2-CD1 4.08Å; L73-I110 HydrophobicContact CD2-CG1 3.9Å; V92-I110 WeakPolarHBondContact CA-O 3.28Å; L93-I110 HydrophobicContact CB-CB 4.32Å; L93-I110 PolarHBondContact N-O 3.09Å; L93-I110 WeakPolarHBondContact O-CD1 2.97Å; L93-I110 PolarHBondContact O-N 3.45Å; L95-I110 HydrophobicContact CB-CD1 4.07Å; V108-I110 HydrophobicContact CB-CD1 4.43Å; V108-I110 HydrophobicContact CG1-CD1 3.79Å; V108-I110 HydrophobicContact CG1-CG1 4.35Å
111E94.4Very high90.7Very high94 Ų9452.2 Ų52.244%0.43928%0.281SS..EExtended strand (participates in β ladder)trans-74.3122.3174.1-176.8175.6-157.200109.4Y22 T23 V24 C91 L113Y22-E111 PolarHBondContact O-N 2.91Å; T23-E111 WeakPolarHBondContact CA-O 3.22Å; T23-E111 HydrophobicContact CG2-CB 4.25Å; V24-E111 PolarHBondContact N-O 2.68Å; C91-E111 WeakPolarHBondContact O-CA 3.19Å; E111-L113 HydrophobicContact CG-CD2 4.12Å
112V93.8Very high91.1Very high5 Ų546.9 Ų46.93%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-90.1112.5175.8179.20000108.2V24 E26 I79 R81 C91 L93V24-V112 HydrophobicContact CG1-CG2 4.31Å; V24-V112 CarbonylContact O-C 3.55Å; V24-V112 WeakPolarHBondContact O-CA 3.13Å; E26-V112 HydrophobicContact CB-CG1 3.82Å; I79-V112 HydrophobicContact CG2-CB 4.35Å; I79-V112 HydrophobicContact CG2-CG1 3.5Å; I79-V112 HydrophobicContact CG2-CG2 3.85Å; R81-V112 HydrophobicContact CB-CG1 4Å; R81-V112 HydrophobicContact CG-CG1 3.94Å; C91-V112 HydrophobicContact CB-CB 4.07Å; C91-V112 PolarHBondContact O-N 3.29Å; L93-V112 HydrophobicContact CD1-CG2 4.03Å; L93-V112 HydrophobicContact CG-CG2 4.03Å
113L92.1Very high91.5Very high66 Ų6647.5 Ų47.535%0.34626%0.255SS..EExtended strand (participates in β ladder)trans-85124.9-179.6-57.6177.3000110.7V24 Q25 E26 E111V24-L113 PolarHBondContact O-N 2.78Å; Q25-L113 HydrophobicContact CG-CB 4.29Å; E26-L113 PolarHBondContact N-O 3.13Å; E26-L113 VanDerWaalsContact N-O 3.11Å; E111-L113 HydrophobicContact CG-CD2 4.12Å
114D91.3Very high91.8Very high35 Ų3545.7 Ų45.719%0.18724%0.243CC..  trans-55.9134.8173-178.3109.9000112.2E26 R81 V151 N154E26-D114 VanDerWaalsContact OE1-CA 3.25Å; E26-D114 WeakPolarHBondContact OE1-CA 3.31Å; R81-D114 IonicContact CZ-OD1 2.94Å; R81-D114 IonicContact NE-OD1 3.92Å; R81-D114 PolarHBondContact NE-OD1 3Å; R81-D114 IonicContact NH1-OD1 3.21Å; R81-D114 IonicContact NH2-OD1 3.21Å; R81-D114 PolarHBondContact NH2-OD1 3.45Å; D114-V151 PolarHBondContact OD1-N 2.92Å; D114-N154 VanDerWaalsContact OD2-CB 3.31Å; D114-N154 WeakPolarHBondContact OD2-CB 3.5Å; D114-N154 PolarHBondContact OD2-ND2 2.9Å
115I89.6Confident91.9Very high23 Ų2346.6 Ų46.612%0.11826%0.255CS..  trans-120156.5170.870.9178.2000110.5Q25 E26 E27 D117 N154Q25-I115 HydrophobicContact CB-CG2 4.21Å; Q25-I115 HydrophobicContact CG-CG2 4.19Å; E26-I115 HydrophobicContact CG-CB 4.31Å; E26-I115 HydrophobicContact CG-CD1 3.83Å; E26-I115 HydrophobicContact CG-CG1 3.55Å; E26-I115 HydrophobicContact CG-CG2 4.15Å; E26-I115 PolarHBondContact OE1-N 2.74Å; E27-I115 HydrophobicContact CB-CD1 3.78Å; E27-I115 HydrophobicContact CG-CD1 3.99Å; I115-D117 HydrophobicContact CD1-CB 3.98Å; I115-D117 HydrophobicContact CG1-CB 3.88Å; I115-D117 PolarHBondContact O-N 2.92Å; I115-N154 VanDerWaalsContact C-ND2 3.27Å
116N90.7Very high92.2Very high16 Ų1647.6 Ų47.69%0.08626%0.26CS..SBendtrans-81.367.8179.6-158.165.6000110.5D150 N154 D205 Q228 R230N116-D150 VanDerWaalsContact CA-OD2 3.3Å; N116-D150 WeakPolarHBondContact CA-OD2 3.37Å; N116-N154 HydrophobicContact CB-CB 4.07Å; N116-N154 PolarHBondContact N-ND2 2.78Å; N116-N154 WeakPolarHBondContact OD1-CA 3.22Å; N116-N154 VanDerWaalsContact OD1-CB 3.23Å; N116-N154 WeakPolarHBondContact OD1-CB 3.39Å; N116-N154 PolarHBondContact OD1-O 2.93Å; N116-D205 PolarHBondContact ND2-OD2 3.17Å; N116-D205 PolarHBondContact OD1-OD2 2.87Å; N116-Q228 PolarHBondContact ND2-O 3.24Å; N116-R230 PolarHBondContact O-NE 3.21Å; N116-R230 PolarHBondContact O-NH2 2.87Å
117D90Very high92.3Very high41 Ų4147.2 Ų47.222%0.21926%0.259CS..  trans-105.9-9.5-177.689.5-43.2000116I115 D150 R230I115-D117 HydrophobicContact CD1-CB 3.98Å; I115-D117 HydrophobicContact CG1-CB 3.88Å; I115-D117 PolarHBondContact O-N 2.92Å; D117-D150 PolarHBondContact N-OD2 2.86Å; D117-D150 VanDerWaalsContact N-OD2 3.07Å; D117-R230 VanDerWaalsContact C-CZ 3.41Å; D117-R230 VanDerWaalsContact C-NH1 3.34Å; D117-R230 VanDerWaalsContact CA-NH2 3.33Å; D117-R230 PolarHBondContact O-NH1 3.02Å; D117-R230 PolarHBondContact O-NH2 3.01Å
118N91.3Very high92.4Very high45 Ų4547.2 Ų47.224%0.24127%0.265CS..SBendtrans-105.2139.6167.6-59.7-86.3000111.1P149 D150 R230N118-P149 HydrophobicContact CB-CB 3.97Å; N118-P149 HydrophobicContact CB-CG 3.65Å; N118-D150 VanDerWaalsContact CB-OD1 3.22Å; N118-D150 WeakPolarHBondContact CB-OD1 3.37Å; N118-D150 PolarHBondContact N-OD1 3.27Å; N118-D150 PolarHBondContact N-OD2 3.38Å; N118-D150 PolarHBondContact ND2-OD1 2.99Å; N118-R230 VanDerWaalsContact O-CD 3.31Å; N118-R230 WeakPolarHBondContact O-CD 3.21Å
119P91.9Very high92.5Very high60 Ų6048.2 Ų48.239%0.3927%0.27SS..  trans-85.7149.6168.134-31.1000110.6S121 R230P119-S121 PolarHBondContact O-N 3.21Å; P119-R230 HydrophobicContact CB-CB 3.89Å
120P93.7Very high92.6Very high1 Ų152 Ų521%0.00629%0.288CS..  trans-61.1140.6168.924.5-32000109.6F147 D148 L156 A203 D205 G232P120-F147 WeakPolarHBondContact CA-O 3.46Å; P120-D148 HydrophobicContact CB-CB 4.21Å; P120-L156 HydrophobicContact CB-CD1 4.15Å; P120-A203 HydrophobicContact CB-CB 4.07Å; P120-A203 HydrophobicContact CG-CB 4.3Å; P120-D205 HydrophobicContact CG-CB 4.37Å; P120-G232 WeakPolarHBondContact O-CA 3.3Å; P120-G232 PolarHBondContact O-N 3.24Å
121S94Very high92.7Very high72 Ų7252.1 Ų52.150%0.50329%0.289SS..BIsolated β-bridgetrans-135.8138.3-173.3-168.70000112P119 A146 F147P119-S121 PolarHBondContact O-N 3.21Å; S121-A146 CarbonylContact O-C 3.26Å; S121-A146 VanDerWaalsContact O-CA 3.31Å; S121-A146 WeakPolarHBondContact O-CA 3.43Å; S121-F147 PolarHBondContact N-O 3.33Å; S121-F147 PolarHBondContact O-N 3.24Å
122F93.7Very high92.8Very high19 Ų1949.6 Ų49.68%0.08328%0.282CS..  trans-84.5147.1174.4-69.9-83.1000111.2A146 Y159 L201 A203 A234F122-A146 HydrophobicContact CD1-CB 3.98Å; F122-A146 HydrophobicContact CD2-CB 4.49Å; F122-A146 HydrophobicContact CE1-CB 3.87Å; F122-A146 HydrophobicContact CE2-CB 4.4Å; F122-A146 HydrophobicContact CG-CB 4.29Å; F122-A146 HydrophobicContact CZ-CB 4.08Å; F122-Y159 HydrophobicContact CE1-CD1 4.27Å; F122-Y159 AromaticContact CE1-CE1 3.91Å; F122-Y159 HydrophobicContact CE1-CE1 3.91Å; F122-Y159 HydrophobicContact CZ-CD1 4.1Å; F122-Y159 HydrophobicContact CZ-CE1 4.11Å; F122-L201 HydrophobicContact CD1-CD2 4.43Å; F122-L201 HydrophobicContact CE1-CD2 3.55Å; F122-L201 HydrophobicContact CE1-CG 4.07Å; F122-L201 HydrophobicContact CZ-CD2 3.75Å; F122-L201 HydrophobicContact CZ-CG 3.71Å; F122-A203 HydrophobicContact CE2-CB 3.72Å; F122-A203 HydrophobicContact CZ-CB 3.64Å; F122-A234 HydrophobicContact CB-CB 4.09Å; F122-A234 HydrophobicContact CD1-CB 4.27Å; F122-A234 HydrophobicContact CD2-CB 3.68Å; F122-A234 HydrophobicContact CE2-CB 4.15Å; F122-A234 HydrophobicContact CG-CB 3.75Å
123P91.6Very high92.9Very high90 Ų9049.7 Ų49.758%0.58428%0.282SS*.SBendtrans-61.7-45.7174.6-19.831.9000112.3E144P123-E144 HydrophobicContact CG-CB 4.5Å
124E91.6Very high93.1Very high107 Ų10750.4 Ų50.450%0.529%0.292SS..  trans-113.1130.7172.1-62.6-165.2164.500111.6D126E124-D126 VanDerWaalsContact C-N 3.31Å
125P91.3Very high93.2Very high85 Ų8549.6 Ų49.655%0.55229%0.29SS*.SBendtrans-78.1-13.2175.832.4-36000113.5A234 L235P125-A234 CarbonylContact O-C 3.57Å; P125-A234 WeakPolarHBondContact O-CA 3.43Å; P125-L235 PolarHBondContact O-N 3.23Å
126D93.7Very high93.5Very high101 Ų10153 Ų5354%0.5431%0.312SS..SBendtrans-128.268.7-175.2-77.5-53.2000110.9E124 T128 L235E124-D126 VanDerWaalsContact C-N 3.31Å; D126-T128 PolarHBondContact O-N 2.91Å; D126-L235 CarbonylContact C-O 3.55Å
127L92.3Very high93.7Very high17 Ų1755.5 Ų55.59%0.08933%0.329CS..  trans-70.2126.8-177.6-177.559.2000111.9V129 L143 E144 L235 L236 T237L127-V129 HydrophobicContact CD2-CG2 4.49Å; L127-V129 HydrophobicContact CG-CG2 4.23Å; L127-L143 HydrophobicContact CD2-CB 4.37Å; L127-L143 HydrophobicContact CD2-CD2 3.84Å; L127-E144 HydrophobicContact CD1-CG 4.06Å; L127-L235 PolarHBondContact N-O 2.72Å; L127-L236 HydrophobicContact CB-CD1 4.49Å; L127-L236 HydrophobicContact CD2-CD1 4.16Å; L127-L236 HydrophobicContact CG-CD1 4.15Å; L127-L236 WeakPolarHBondContact O-CA 3.19Å; L127-T237 PolarHBondContact O-N 3.43Å
128T94.2Very high93.9Very high71 Ų7155.9 Ų55.944%0.43634%0.343SS..EExtended strand (participates in β ladder)trans-112.5127.8172.4-61.30000111.5D126 T237 R239D126-T128 PolarHBondContact O-N 2.91Å; T128-T237 VanDerWaalsContact CA-O 3.3Å; T128-T237 WeakPolarHBondContact CA-O 3.43Å; T128-R239 HydrophobicContact CG2-CG 4.17Å
129V93.9Very high94.1Very high21 Ų2155.7 Ų55.713%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-121.2134.7176.5-174.90000109.6L127 I131 F141 L143 L236 T237 I238 R239L127-V129 HydrophobicContact CD2-CG2 4.49Å; L127-V129 HydrophobicContact CG-CG2 4.23Å; V129-I131 HydrophobicContact CG1-CD1 4.2Å; V129-I131 HydrophobicContact CG1-CG1 3.94Å; V129-F141 HydrophobicContact CG1-CB 4.45Å; V129-L143 HydrophobicContact CG2-CD2 4.16Å; V129-L236 HydrophobicContact CB-CD1 4.42Å; V129-L236 HydrophobicContact CG2-CD1 3.71Å; V129-T237 PolarHBondContact N-O 2.86Å; V129-I238 WeakPolarHBondContact O-CA 3.12Å; V129-R239 PolarHBondContact O-N 2.88Å
130E96.1Very high94.2Very high124 Ų12458.4 Ų58.458%0.57935%0.346SS*.EExtended strand (participates in β ladder)trans-103.2125.4177.3-58.6-171.8156.200110R239 L241E130-R239 WeakPolarHBondContact CA-O 3.45Å; E130-R239 HydrophobicContact CG-CB 4.34Å; E130-L241 HydrophobicContact CB-CD1 3.9Å; E130-L241 HydrophobicContact CB-CD2 4.32Å; E130-L241 HydrophobicContact CB-CG 4.05Å
131I96.6Very high94.2Very high2 Ų259.9 Ų59.91%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-133.9122.1-176.1-57.1-179.8000108.6V129 A135 F141 F167 L183 L189 I238 R239 V240 L241V129-I131 HydrophobicContact CG1-CD1 4.2Å; V129-I131 HydrophobicContact CG1-CG1 3.94Å; I131-A135 HydrophobicContact CG2-CB 3.83Å; I131-F141 HydrophobicContact CB-CE1 4.4Å; I131-F141 HydrophobicContact CB-CZ 4.33Å; I131-F141 HydrophobicContact CD1-CD1 4.18Å; I131-F141 HydrophobicContact CD1-CD2 3.69Å; I131-F141 HydrophobicContact CD1-CE1 4.26Å; I131-F141 HydrophobicContact CD1-CE2 3.79Å; I131-F141 HydrophobicContact CD1-CG 3.91Å; I131-F141 HydrophobicContact CD1-CZ 4.08Å; I131-F141 HydrophobicContact CG1-CD1 3.99Å; I131-F141 HydrophobicContact CG1-CD2 4.36Å; I131-F141 HydrophobicContact CG1-CE1 3.89Å; I131-F141 HydrophobicContact CG1-CE2 4.28Å; I131-F141 HydrophobicContact CG1-CG 4.24Å; I131-F141 HydrophobicContact CG1-CZ 4.04Å; I131-F141 HydrophobicContact CG2-CE1 3.95Å; I131-F141 HydrophobicContact CG2-CE2 4Å; I131-F141 HydrophobicContact CG2-CZ 3.47Å; I131-F141 VanDerWaalsContact CG2-CZ 3.47Å; I131-F167 HydrophobicContact CD1-CE1 3.64Å; I131-F167 HydrophobicContact CD1-CZ 4.18Å; I131-L183 HydrophobicContact CD1-CD2 4.25Å; I131-L189 HydrophobicContact CB-CD1 4.18Å; I131-L189 HydrophobicContact CG2-CD1 3.64Å; I131-I238 HydrophobicContact CB-CG2 4.31Å; I131-I238 HydrophobicContact CD1-CG2 3.79Å; I131-I238 HydrophobicContact CG1-CG2 4.05Å; I131-R239 PolarHBondContact N-O 2.87Å; I131-V240 CarbonylContact O-C 3.58Å; I131-V240 VanDerWaalsContact O-CA 3.27Å; I131-V240 WeakPolarHBondContact O-CA 3.35Å; I131-L241 PolarHBondContact O-N 2.83Å
132S95.9Very high94.2Very high41 Ų4161.2 Ų61.229%0.28736%0.359SS..EExtended strand (participates in β ladder)trans-62.2139.9173-168.60000111.3S134 A135 L241 S243S132-S134 PolarHBondContact O-N 2.95Å; S132-S134 PolarHBondContact OG-OG 3.38Å; S132-A135 WeakPolarHBondContact O-CB 3.23Å; S132-A135 PolarHBondContact O-N 3.31Å; S132-L241 WeakPolarHBondContact CA-O 3.39Å; S132-S243 PolarHBondContact OG-OG 3.06Å; S132-S243 VanDerWaalsContact OG-OG 3.06Å
133E96.4Very high94.1Very high7 Ų761.1 Ų61.13%0.03336%0.359CS..THydrogen-bonded Turntrans-64-32.2177.669.4-155.7120.600113.3A135 L189 R191 V240 L241 D242 S243E133-A135 PolarHBondContact O-N 2.96Å; E133-L189 HydrophobicContact CB-CB 4.16Å; E133-R191 WeakPolarHBondContact OE2-CB 3.28Å; E133-R191 PolarHBondContact OE2-N 2.83Å; E133-V240 HydrophobicContact CB-CG1 3.64Å; E133-L241 PolarHBondContact N-O 3.09Å; E133-D242 VanDerWaalsContact OE1-CA 3.23Å; E133-D242 WeakPolarHBondContact OE1-CA 3.43Å; E133-S243 PolarHBondContact OE1-N 3.04Å
134S94.7Very high94Very high81 Ų8160.1 Ų60.157%0.56635%0.347SS*.THydrogen-bonded Turntrans-66.44.5170.454.30000114.7S132 T136 S243S132-S134 PolarHBondContact O-N 2.95Å; S132-S134 PolarHBondContact OG-OG 3.38Å; S134-T136 PolarHBondContact O-N 2.82Å; S134-S243 PolarHBondContact OG-OG 2.81Å
135A94.9Very high94Very high17 Ų1757.9 Ų57.914%0.1434%0.343CS..PPolyproline II helixtrans-65.2128173.400000111.6I131 S132 E133 F141 L185I131-A135 HydrophobicContact CG2-CB 3.83Å; S132-A135 WeakPolarHBondContact O-CB 3.23Å; S132-A135 PolarHBondContact O-N 3.31Å; E133-A135 PolarHBondContact O-N 2.96Å; A135-F141 HydrophobicContact CB-CZ 4.19Å; A135-L185 HydrophobicContact CB-CD2 3.9Å; A135-L185 VanDerWaalsContact O-CD2 3.3Å; A135-L185 WeakPolarHBondContact O-CD2 3.23Å
136T95.3Very high94Very high95 Ų9554.2 Ų54.258%0.58332%0.32SS*.PPolyproline II helixtrans-71.4138.3-179.245.90000111.9S134 T139S134-T136 PolarHBondContact O-N 2.82Å; T136-T139 VanDerWaalsContact O-CB 3.25Å; T136-T139 WeakPolarHBondContact O-CB 3.42Å; T136-T139 PolarHBondContact O-N 3.01Å; T136-T139 PolarHBondContact O-OG1 2.87Å; T136-T139 PolarHBondContact OG1-OG1 2.7Å; T136-T139 VanDerWaalsContact OG1-OG1 3.13Å
137P95.5Very high93.9Very high68 Ų6855 Ų5544%0.44232%0.318SS..THydrogen-bonded Turntrans-52.8141.4168.1-27.736.1000112T139 L185 P188P137-T139 VanDerWaalsContact C-N 3.34Å; P137-L185 CarbonylContact C-O 3.56Å; P137-L185 WeakPolarHBondContact CA-O 3.37Å; P137-P188 HydrophobicContact CG-CG 3.83Å
138G93.6Very high93.9Very high49 Ų4954.7 Ų54.751%0.50532%0.317SS..THydrogen-bonded Turntrans86.9-6.2-168.900000114.6L185G138-L185 PolarHBondContact N-O 3.49Å
139T94.9Very high93.8Very high42 Ų4252.6 Ų52.626%0.25831%0.305SS..  trans-64.9139171.1-54.60000110T136 P137 F141 L185T136-T139 VanDerWaalsContact O-CB 3.25Å; T136-T139 WeakPolarHBondContact O-CB 3.42Å; T136-T139 PolarHBondContact O-N 3.01Å; T136-T139 PolarHBondContact O-OG1 2.87Å; T136-T139 PolarHBondContact OG1-OG1 2.7Å; T136-T139 VanDerWaalsContact OG1-OG1 3.13Å; P137-T139 VanDerWaalsContact C-N 3.34Å; T139-F141 HydrophobicContact CG2-CE1 3.99Å; T139-F141 HydrophobicContact CG2-CE2 3.78Å; T139-F141 HydrophobicContact CG2-CZ 3.44Å; T139-F141 VanDerWaalsContact CG2-CZ 3.44Å; T139-L185 PolarHBondContact O-N 2.7Å
140R94.4Very high93.7Very high116 Ų11651.7 Ų51.744%0.43830%0.299SS..EExtended strand (participates in β ladder)trans-109.7136.4-179-51.4-170.5175.9-145.3-15.7110.6D170 E182 L183 V184R140-D170 IonicContact CZ-OD2 2.87Å; R140-D170 IonicContact NH1-OD2 2.77Å; R140-D170 PolarHBondContact NH1-OD2 2.84Å; R140-D170 IonicContact NH2-OD2 3.99Å; R140-D170 PolarHBondContact NH2-OD2 3.01Å; R140-E182 HydrophobicContact CB-CB 4.41Å; R140-E182 WeakPolarHBondContact CD-OE2 3.15Å; R140-E182 IonicContact CZ-OE2 2.55Å; R140-E182 IonicContact NE-OE2 3.16Å; R140-E182 IonicContact NH1-OE2 3Å; R140-E182 PolarHBondContact NH1-OE2 2.86Å; R140-L183 CarbonylContact C-O 3.5Å; R140-L183 WeakPolarHBondContact CA-O 3.37Å; R140-V184 HydrophobicContact CG-CG2 4.29Å
141F94.6Very high93.4Very high33 Ų3347.3 Ų47.315%0.14528%0.281CS..EExtended strand (participates in β ladder)trans-121.2117.1177.8-55.6-86.2000108.4V129 I131 A135 T139 L143 L183 L185V129-F141 HydrophobicContact CG1-CB 4.45Å; I131-F141 HydrophobicContact CB-CE1 4.4Å; I131-F141 HydrophobicContact CB-CZ 4.33Å; I131-F141 HydrophobicContact CD1-CD1 4.18Å; I131-F141 HydrophobicContact CD1-CD2 3.69Å; I131-F141 HydrophobicContact CD1-CE1 4.26Å; I131-F141 HydrophobicContact CD1-CE2 3.79Å; I131-F141 HydrophobicContact CD1-CG 3.91Å; I131-F141 HydrophobicContact CD1-CZ 4.08Å; I131-F141 HydrophobicContact CG1-CD1 3.99Å; I131-F141 HydrophobicContact CG1-CD2 4.36Å; I131-F141 HydrophobicContact CG1-CE1 3.89Å; I131-F141 HydrophobicContact CG1-CE2 4.28Å; I131-F141 HydrophobicContact CG1-CG 4.24Å; I131-F141 HydrophobicContact CG1-CZ 4.04Å; I131-F141 HydrophobicContact CG2-CE1 3.95Å; I131-F141 HydrophobicContact CG2-CE2 4Å; I131-F141 HydrophobicContact CG2-CZ 3.47Å; I131-F141 VanDerWaalsContact CG2-CZ 3.47Å; A135-F141 HydrophobicContact CB-CZ 4.19Å; T139-F141 HydrophobicContact CG2-CE1 3.99Å; T139-F141 HydrophobicContact CG2-CE2 3.78Å; T139-F141 HydrophobicContact CG2-CZ 3.44Å; T139-F141 VanDerWaalsContact CG2-CZ 3.44Å; F141-L143 PolarHBondContact O-N 2.93Å; F141-L183 HydrophobicContact CB-CB 4.3Å; F141-L183 PolarHBondContact N-O 2.83Å; F141-L183 PolarHBondContact O-N 3.31Å; F141-L185 HydrophobicContact CE2-CB 4.23Å
142P92.8Very high92.9Very high100 Ų10049.8 Ų49.865%0.64931%0.307SS*.EExtended strand (participates in β ladder)trans-58.1136.5176.3-24.834.7000111.2
143L92.5Very high92.4Very high16 Ų1653.2 Ų53.28%0.08433%0.326CS..  trans-106160.7169.4-59.8174000109.7L127 V129 F141 S145 L169 A181 L183 L201 L236L127-L143 HydrophobicContact CD2-CB 4.37Å; L127-L143 HydrophobicContact CD2-CD2 3.84Å; V129-L143 HydrophobicContact CG2-CD2 4.16Å; F141-L143 PolarHBondContact O-N 2.93Å; L143-S145 PolarHBondContact O-N 2.77Å; L143-L169 HydrophobicContact CD1-CD2 3.57Å; L143-A181 WeakPolarHBondContact CB-O 3.26Å; L143-A181 HydrophobicContact CD1-CB 4.28Å; L143-A181 PolarHBondContact N-O 3.13Å; L143-L183 HydrophobicContact CD1-CB 4.07Å; L143-L183 HydrophobicContact CD1-CD1 4.41Å; L143-L183 HydrophobicContact CD2-CB 4.11Å; L143-L183 HydrophobicContact CG-CB 4.09Å; L143-L201 HydrophobicContact CD1-CD1 4.19Å; L143-L201 HydrophobicContact CD1-CD2 4.06Å; L143-L236 HydrophobicContact CD2-CD1 4.19Å; L143-L236 HydrophobicContact CD2-CD2 4.41Å
144E88.7Confident92.1Very high70 Ų7053.3 Ų53.333%0.32733%0.327SS..PPolyproline II helixtrans-67.9129.4170.5-60.6-160.2152.100110.3P123 L127P123-E144 HydrophobicContact CG-CB 4.5Å; L127-E144 HydrophobicContact CD1-CG 4.06Å
145S91.1Very high91.8Very high60 Ų6051.4 Ų51.442%0.4231%0.313SS..PPolyproline II helixtrans-73.6133.7175.853.50000110.6L143 Y159L143-S145 PolarHBondContact O-N 2.77Å; S145-Y159 VanDerWaalsContact CA-OH 3.26Å; S145-Y159 WeakPolarHBondContact CA-OH 2.97Å; S145-Y159 WeakPolarHBondContact CB-OH 3.24Å
146A92.3Very high91.6Very high7 Ų751.4 Ų51.46%0.05831%0.311CS..PPolyproline II helixtrans-65.9150.3165.500000110S121 F122 L156 Y159 A203S121-A146 CarbonylContact O-C 3.26Å; S121-A146 VanDerWaalsContact O-CA 3.31Å; S121-A146 WeakPolarHBondContact O-CA 3.43Å; F122-A146 HydrophobicContact CD1-CB 3.98Å; F122-A146 HydrophobicContact CD2-CB 4.49Å; F122-A146 HydrophobicContact CE1-CB 3.87Å; F122-A146 HydrophobicContact CE2-CB 4.4Å; F122-A146 HydrophobicContact CG-CB 4.29Å; F122-A146 HydrophobicContact CZ-CB 4.08Å; A146-L156 HydrophobicContact CB-CD1 4.37Å; A146-Y159 HydrophobicContact CB-CE1 3.96Å; A146-Y159 PolarHBondContact N-OH 2.6Å; A146-A203 HydrophobicContact CB-CB 3.38Å
147F91.7Very high91.4Very high117 Ų11752.6 Ų52.651%0.51331%0.305SS..BIsolated β-bridgetrans-113.3135.9175.3-177.2-102.8000109.8Q87 P120 S121 P149Q87-F147 HydrophobicContact CG-CE2 4.48Å; Q87-F147 HydrophobicContact CG-CZ 4.08Å; P120-F147 WeakPolarHBondContact CA-O 3.46Å; S121-F147 PolarHBondContact N-O 3.33Å; S121-F147 PolarHBondContact O-N 3.24Å; F147-P149 HydrophobicContact CD1-CG 4.49Å; F147-P149 HydrophobicContact CE1-CG 4.22Å
148D92.8Very high91.2Very high12 Ų1252.6 Ų52.66%0.06430%0.301CS..  trans-123.5119.4177.7-154.3-30.3000108P120 D150 L156P120-D148 HydrophobicContact CB-CB 4.21Å; D148-D150 VanDerWaalsContact C-N 3.27Å; D148-D150 PolarHBondContact O-N 2.94Å; D148-D150 PolarHBondContact OD1-N 2.88Å; D148-L156 HydrophobicContact CB-CB 3.96Å; D148-L156 PolarHBondContact OD2-N 3.35Å; D148-L156 VanDerWaalsContact OD2-N 3.16Å
149P91.8Very high91.2Very high26 Ų2650.8 Ų50.817%0.16928%0.279CS..  trans-63.4-32.4178.5-25.136000113.9E82 Q87 N118 F147E82-P149 HydrophobicContact CG-CB 3.59Å; Q87-P149 PolarHBondContact NE2-O 3.04Å; N118-P149 HydrophobicContact CB-CB 3.97Å; N118-P149 HydrophobicContact CB-CG 3.65Å; F147-P149 HydrophobicContact CD1-CG 4.49Å; F147-P149 HydrophobicContact CE1-CG 4.22Å
150D92Very high91.1Very high2 Ų254.3 Ų54.31%0.01129%0.293CS..SBendtrans-72.9158.8-172.9-59.1-0.5000110.6N116 D117 N118 D148 N154 S155N116-D150 VanDerWaalsContact CA-OD2 3.3Å; N116-D150 WeakPolarHBondContact CA-OD2 3.37Å; D117-D150 PolarHBondContact N-OD2 2.86Å; D117-D150 VanDerWaalsContact N-OD2 3.07Å; N118-D150 VanDerWaalsContact CB-OD1 3.22Å; N118-D150 WeakPolarHBondContact CB-OD1 3.37Å; N118-D150 PolarHBondContact N-OD1 3.27Å; N118-D150 PolarHBondContact N-OD2 3.38Å; N118-D150 PolarHBondContact ND2-OD1 2.99Å; D148-D150 VanDerWaalsContact C-N 3.27Å; D148-D150 PolarHBondContact O-N 2.94Å; D148-D150 PolarHBondContact OD1-N 2.88Å; D150-N154 HydrophobicContact CB-CB 3.76Å; D150-S155 WeakPolarHBondContact O-CA 3.48Å; D150-S155 WeakPolarHBondContact O-CB 3.43Å
151V89.2Confident91.2Very high33 Ų3350.2 Ų50.220%0.228%0.279CS..  trans-120.8150.9-167.4171.80000112.7Q87 D114 T153 N154Q87-V151 HydrophobicContact CB-CG2 4.31Å; D114-V151 PolarHBondContact OD1-N 2.92Å; V151-T153 PolarHBondContact O-N 3.5Å; V151-N154 PolarHBondContact O-N 3.42Å
152G85.4Confident91.2Very high53 Ų5351 Ų5155%0.54629%0.287SS..THydrogen-bonded Turntrans69.9-118.9174.700000111.8N154 S155G152-N154 VanDerWaalsContact C-N 3.28Å; G152-N154 PolarHBondContact O-N 2.88Å; G152-S155 PolarHBondContact O-N 3.02Å; G152-S155 PolarHBondContact O-OG 2.9Å
153T86.5Confident91.3Very high113 Ų11352.8 Ų52.869%0.69330%0.299SS*.THydrogen-bonded Turntrans-75.1-16.6-178.250.80000114.2V151 G206V151-T153 PolarHBondContact O-N 3.5Å; T153-G206 CarbonylContact O-C 3.51Å; T153-G206 VanDerWaalsContact O-C 3.26Å; T153-G206 WeakPolarHBondContact O-CA 3.31Å
154N88.8Confident91.4Very high9 Ų954.3 Ų54.35%0.04831%0.307CS..SBendtrans-91.9-16177.8-62.9-13.8000111.4D114 I115 N116 D150 V151 G152 D205D114-N154 VanDerWaalsContact OD2-CB 3.31Å; D114-N154 WeakPolarHBondContact OD2-CB 3.5Å; D114-N154 PolarHBondContact OD2-ND2 2.9Å; I115-N154 VanDerWaalsContact C-ND2 3.27Å; N116-N154 HydrophobicContact CB-CB 4.07Å; N116-N154 PolarHBondContact N-ND2 2.78Å; N116-N154 WeakPolarHBondContact OD1-CA 3.22Å; N116-N154 VanDerWaalsContact OD1-CB 3.23Å; N116-N154 WeakPolarHBondContact OD1-CB 3.39Å; N116-N154 PolarHBondContact OD1-O 2.93Å; D150-N154 HydrophobicContact CB-CB 3.76Å; V151-N154 PolarHBondContact O-N 3.42Å; G152-N154 VanDerWaalsContact C-N 3.28Å; G152-N154 PolarHBondContact O-N 2.88Å; N154-D205 WeakPolarHBondContact O-CB 3.13Å
155S89.3Confident91.6Very high41 Ų4153.7 Ų53.729%0.28731%0.31SS..SBendtrans-66164.6172.6740000113.7D150 G152 R157 G206D150-S155 WeakPolarHBondContact O-CA 3.48Å; D150-S155 WeakPolarHBondContact O-CB 3.43Å; G152-S155 PolarHBondContact O-N 3.02Å; G152-S155 PolarHBondContact O-OG 2.9Å; S155-R157 PolarHBondContact O-N 3.24Å; S155-G206 PolarHBondContact O-N 2.85Å
156L91Very high91.9Very high18 Ų1852.5 Ų52.59%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-41.8120.3175.7176.869.7000113.2P120 A146 D148 Y159 R179 A203P120-L156 HydrophobicContact CB-CD1 4.15Å; A146-L156 HydrophobicContact CB-CD1 4.37Å; D148-L156 HydrophobicContact CB-CB 3.96Å; D148-L156 PolarHBondContact OD2-N 3.35Å; D148-L156 VanDerWaalsContact OD2-N 3.16Å; L156-Y159 HydrophobicContact CD2-CE2 3.82Å; L156-Y159 VanDerWaalsContact CD2-OH 3.25Å; L156-Y159 WeakPolarHBondContact CD2-OH 3.3Å; L156-Y159 HydrophobicContact CG-CE2 4.48Å; L156-R179 HydrophobicContact CD2-CB 4.08Å; L156-R179 WeakPolarHBondContact CD2-O 3.44Å; L156-R179 HydrophobicContact CG-CB 4.5Å; L156-R179 WeakPolarHBondContact O-CD 3.16Å; L156-R179 PolarHBondContact O-NE 3.37Å; L156-A203 HydrophobicContact CD1-CB 3.82Å
157R90.1Very high92.1Very high119 Ų11952.4 Ų52.445%0.44930%0.295SS..EExtended strand (participates in β ladder)trans-105.9-44.7-176.1179.3176.9169.2-178.9-2.4113.7S155 R179 V204 D205S155-R157 PolarHBondContact O-N 3.24Å; R157-R179 WeakPolarHBondContact O-CD 3.26Å; R157-R179 PolarHBondContact O-NE 2.97Å; R157-R179 PolarHBondContact O-NH1 3.35Å; R157-V204 WeakPolarHBondContact CA-O 3.38Å; R157-V204 WeakPolarHBondContact CB-O 3.29Å; R157-V204 PolarHBondContact N-O 3.36Å; R157-D205 VanDerWaalsContact CB-C 3.48Å; R157-D205 WeakPolarHBondContact CB-O 3.41Å
158D91.2Very high92.2Very high69 Ų6948.5 Ų48.537%0.36928%0.282SS..EExtended strand (participates in β ladder)trans-152.9168.2-173.4-135.9-26.2000113.3V204D158-V204 HydrophobicContact CB-CG2 3.62Å; D158-V204 PolarHBondContact N-O 3.43Å; D158-V204 VanDerWaalsContact N-O 3.08Å; D158-V204 PolarHBondContact O-N 2.9Å
159Y93.5Very high92.3Very high10 Ų1049.6 Ų49.64%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-126.3133.7171.4-62.6-97000110.8F122 S145 A146 L156 V171 R179 A181 T202 A203F122-Y159 HydrophobicContact CE1-CD1 4.27Å; F122-Y159 AromaticContact CE1-CE1 3.91Å; F122-Y159 HydrophobicContact CE1-CE1 3.91Å; F122-Y159 HydrophobicContact CZ-CD1 4.1Å; F122-Y159 HydrophobicContact CZ-CE1 4.11Å; S145-Y159 VanDerWaalsContact CA-OH 3.26Å; S145-Y159 WeakPolarHBondContact CA-OH 2.97Å; S145-Y159 WeakPolarHBondContact CB-OH 3.24Å; A146-Y159 HydrophobicContact CB-CE1 3.96Å; A146-Y159 PolarHBondContact N-OH 2.6Å; L156-Y159 HydrophobicContact CD2-CE2 3.82Å; L156-Y159 VanDerWaalsContact CD2-OH 3.25Å; L156-Y159 WeakPolarHBondContact CD2-OH 3.3Å; L156-Y159 HydrophobicContact CG-CE2 4.48Å; Y159-V171 HydrophobicContact CD2-CG1 3.91Å; Y159-V171 HydrophobicContact CD2-CG2 3.98Å; Y159-V171 HydrophobicContact CE2-CG1 4.45Å; Y159-V171 HydrophobicContact CG-CG2 4.43Å; Y159-R179 HydrophobicContact CE2-CB 4.24Å; Y159-R179 PolarHBondContact OH-O 2.84Å; Y159-A181 HydrophobicContact CD1-CB 4.14Å; Y159-A181 HydrophobicContact CD2-CB 3.87Å; Y159-A181 HydrophobicContact CE1-CB 4.47Å; Y159-A181 HydrophobicContact CE2-CB 4.22Å; Y159-A181 HydrophobicContact CG-CB 3.8Å; Y159-T202 CarbonylContact C-O 3.4Å; Y159-T202 WeakPolarHBondContact CA-O 3.34Å; Y159-A203 HydrophobicContact CD1-CB 4.13Å; Y159-A203 HydrophobicContact CE1-CB 4.16Å
160E93.7Very high92.4Very high117 Ų11750.2 Ų50.255%0.54729%0.29SS..EExtended strand (participates in β ladder)trans-116.9144.1175.7-57.6-174.2167.300110.4T202E160-T202 PolarHBondContact N-O 3.47Å; E160-T202 PolarHBondContact O-N 3.17Å
161I95.3Very high92.4Very high29 Ų2952 Ų5215%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-117.9145.9169.3-169.3168.6000109.5P163 L169 L183 Y199 V200 L236I161-P163 WeakPolarHBondContact O-CD 3.27Å; I161-L169 HydrophobicContact CB-CD1 3.84Å; I161-L169 HydrophobicContact CB-CD2 4.48Å; I161-L169 HydrophobicContact CB-CG 3.9Å; I161-L169 HydrophobicContact CG2-CD1 4.14Å; I161-L169 HydrophobicContact CG2-CG 3.82Å; I161-L183 HydrophobicContact CD1-CD1 3.67Å; I161-Y199 HydrophobicContact CD1-CD2 4.34Å; I161-Y199 HydrophobicContact CD1-CG 4.23Å; I161-Y199 HydrophobicContact CG1-CG 4.48Å; I161-V200 WeakPolarHBondContact CA-O 3.26Å; I161-L236 HydrophobicContact CD1-CD2 4.07Å
162T95.2Very high92.3Very high51 Ų5153.8 Ų53.831%0.31331%0.307SS..  trans-50.7125.1170.443.10000111.2N164 Y199 V200T162-N164 PolarHBondContact O-N 3.21Å; T162-N164 PolarHBondContact O-ND2 3.08Å; T162-N164 VanDerWaalsContact O-ND2 3.14Å; T162-Y199 WeakPolarHBondContact OG1-CA 3.26Å; T162-Y199 VanDerWaalsContact OG1-CB 3.32Å; T162-Y199 WeakPolarHBondContact OG1-CB 3.49Å; T162-Y199 WeakPolarHBondContact OG1-CD1 3.46Å; T162-V200 HydrophobicContact CG2-CB 3.72Å; T162-V200 HydrophobicContact CG2-CG2 3.98Å; T162-V200 PolarHBondContact N-O 3.41Å; T162-V200 PolarHBondContact OG1-N 2.91Å; T162-V200 VanDerWaalsContact OG1-N 3.11Å
163P94.4Very high92.3Very high137 Ų13755 Ų5589%0.8930%0.303SS*.  trans-54.6124.1-177.1-29.535.7000112.5I161I161-P163 WeakPolarHBondContact O-CD 3.27Å
164N94.6Very high91.9Very high47 Ų4754.4 Ų54.425%0.25129%0.293SS..  trans-148175.5-176.277.387.7000110.6T162 Y166 F167 Y199T162-N164 PolarHBondContact O-N 3.21Å; T162-N164 PolarHBondContact O-ND2 3.08Å; T162-N164 VanDerWaalsContact O-ND2 3.14Å; N164-Y166 PolarHBondContact OD1-N 2.94Å; N164-F167 PolarHBondContact ND2-O 3.05Å; N164-F167 PolarHBondContact OD1-N 2.93Å; N164-F167 PolarHBondContact OD1-O 3.13Å; N164-Y199 HydrophobicContact CB-CD1 3.98Å; N164-Y199 HydrophobicContact CB-CE1 3.26Å
165S94.2Very high91.1Very high57 Ų5758.6 Ų58.640%0.39934%0.338SS..SBendtrans-101.6-5.6-173.257.20000115.8K187S165-K187 WeakPolarHBondContact O-CD 3.45Å; S165-K187 WeakPolarHBondContact O-CE 3.25Å; S165-K187 WeakPolarHBondContact O-CG 3.48Å
166Y96Very high90.3Very high36 Ų3661.7 Ų61.714%0.14135%0.351CS..SBendtrans-114.2-30.2-170.1-69.5-79.5000112.9N164 L185 E186 K187 L189 Q193 H197N164-Y166 PolarHBondContact OD1-N 2.94Å; Y166-L185 CarbonylContact O-C 3.57Å; Y166-E186 PolarHBondContact O-N 2.92Å; Y166-K187 HydrophobicContact CD1-CB 4.01Å; Y166-K187 HydrophobicContact CE1-CB 4.44Å; Y166-L189 HydrophobicContact CD1-CD2 3.78Å; Y166-L189 HydrophobicContact CE1-CD2 4.4Å; Y166-L189 HydrophobicContact CG-CD2 4.23Å; Y166-Q193 PolarHBondContact OH-OE1 2.85Å; Y166-H197 AromaticContact CD2-CE1 3.55Å; Y166-H197 AromaticContact CD2-ND1 3.94Å; Y166-H197 AromaticContact CE2-CE1 3.57Å
167F96.4Very high89.6Confident5 Ų563.1 Ų63.12%0.02237%0.37CS..EExtended strand (participates in β ladder)trans-135.5132.6-172.6-54.5-84.8000112.4I131 N164 L183 V184 L185 L189 Y199 I238I131-F167 HydrophobicContact CD1-CE1 3.64Å; I131-F167 HydrophobicContact CD1-CZ 4.18Å; N164-F167 PolarHBondContact ND2-O 3.05Å; N164-F167 PolarHBondContact OD1-N 2.93Å; N164-F167 PolarHBondContact OD1-O 3.13Å; F167-L183 HydrophobicContact CB-CD1 3.72Å; F167-L183 HydrophobicContact CB-CD2 4.32Å; F167-L183 HydrophobicContact CB-CG 3.97Å; F167-L183 HydrophobicContact CD1-CD1 4.41Å; F167-L183 HydrophobicContact CD1-CD2 3.48Å; F167-L183 VanDerWaalsContact CD1-CD2 3.48Å; F167-L183 HydrophobicContact CD1-CG 3.77Å; F167-L183 HydrophobicContact CE1-CD2 3.95Å; F167-L183 HydrophobicContact CG-CD1 4.29Å; F167-L183 HydrophobicContact CG-CD2 3.99Å; F167-L183 HydrophobicContact CG-CG 4.16Å; F167-V184 VanDerWaalsContact CA-O 3.28Å; F167-V184 WeakPolarHBondContact CA-O 3.4Å; F167-L185 HydrophobicContact CD1-CD1 3.87Å; F167-L185 HydrophobicContact CE1-CD1 3.37Å; F167-L185 HydrophobicContact CZ-CD1 3.83Å; F167-L189 HydrophobicContact CE2-CD2 4.12Å; F167-L189 HydrophobicContact CZ-CD1 4.06Å; F167-L189 HydrophobicContact CZ-CD2 3.74Å; F167-L189 HydrophobicContact CZ-CG 4.45Å; F167-Y199 HydrophobicContact CD2-CD2 4.35Å; F167-Y199 AromaticContact CD2-CE2 3.46Å; F167-Y199 HydrophobicContact CD2-CE2 3.46Å; F167-Y199 VanDerWaalsContact CD2-CE2 3.46Å; F167-Y199 AromaticContact CE2-CE2 3.87Å; F167-Y199 HydrophobicContact CE2-CE2 3.87Å; F167-Y199 HydrophobicContact CG-CE2 4.48Å; F167-I238 HydrophobicContact CD1-CD1 4.09Å; F167-I238 HydrophobicContact CD2-CD1 3.7Å; F167-I238 HydrophobicContact CE1-CD1 3.82Å; F167-I238 HydrophobicContact CE2-CD1 3.43Å; F167-I238 VanDerWaalsContact CE2-CD1 3.43Å; F167-I238 HydrophobicContact CG-CD1 4.01Å; F167-I238 HydrophobicContact CZ-CD1 3.49Å; F167-I238 VanDerWaalsContact CZ-CD1 3.49Å; F167-I238 HydrophobicContact CZ-CG2 4.06Å
168S95.5Very high89.1Confident34 Ų3462.1 Ų62.124%0.23837%0.374CS..EExtended strand (participates in β ladder)trans-110.4172.3166.161.90000110.4V184 E186S168-V184 PolarHBondContact N-O 2.86Å; S168-V184 PolarHBondContact O-N 2.94Å; S168-E186 VanDerWaalsContact CB-OE1 3.29Å; S168-E186 WeakPolarHBondContact CB-OE1 3.37Å; S168-E186 PolarHBondContact OG-OE1 2.91Å
169L94.5Very high88.9Confident36 Ų3663.3 Ų63.319%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-108.8137.2170.3-66.6179.6000109.9L143 I161 A181 E182 L183 L201L143-L169 HydrophobicContact CD1-CD2 3.57Å; I161-L169 HydrophobicContact CB-CD1 3.84Å; I161-L169 HydrophobicContact CB-CD2 4.48Å; I161-L169 HydrophobicContact CB-CG 3.9Å; I161-L169 HydrophobicContact CG2-CD1 4.14Å; I161-L169 HydrophobicContact CG2-CG 3.82Å; L169-A181 HydrophobicContact CD2-CB 4.43Å; L169-E182 WeakPolarHBondContact CA-O 3.22Å; L169-L183 HydrophobicContact CD2-CD1 3.93Å; L169-L201 HydrophobicContact CD1-CD1 3.66Å; L169-L201 HydrophobicContact CD2-CD1 4.12Å
170D92.8Very high88.7Confident39 Ų3965.6 Ų65.621%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-108.5110162.9-172.8-8.7000108.2R140 Q172 E182 V184R140-D170 IonicContact CZ-OD2 2.87Å; R140-D170 IonicContact NH1-OD2 2.77Å; R140-D170 PolarHBondContact NH1-OD2 2.84Å; R140-D170 IonicContact NH2-OD2 3.99Å; R140-D170 PolarHBondContact NH2-OD2 3.01Å; D170-Q172 VanDerWaalsContact CG-NE2 3.29Å; D170-Q172 PolarHBondContact OD1-NE2 2.89Å; D170-Q172 PolarHBondContact OD2-NE2 3.04Å; D170-E182 PolarHBondContact N-O 3.05Å; D170-E182 PolarHBondContact O-N 2.83Å; D170-V184 HydrophobicContact CB-CG2 3.72Å
171V91.8Very high88.5Confident39 Ų3960.1 Ų60.124%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-92111.6-179.91800000109.2Y159 R179Y159-V171 HydrophobicContact CD2-CG1 3.91Å; Y159-V171 HydrophobicContact CD2-CG2 3.98Å; Y159-V171 HydrophobicContact CE2-CG1 4.45Å; Y159-V171 HydrophobicContact CG-CG2 4.43Å; V171-R179 HydrophobicContact CG1-CB 4.47Å
172Q87.5Confident88.5Confident71 Ų7160.4 Ų60.433%0.33236%0.359SS..EExtended strand (participates in β ladder)trans-103.1135.6-176.7-68.7-69.2-37.400110D170 R179 F180D170-Q172 VanDerWaalsContact CG-NE2 3.29Å; D170-Q172 PolarHBondContact OD1-NE2 2.89Å; D170-Q172 PolarHBondContact OD2-NE2 3.04Å; Q172-R179 WeakPolarHBondContact O-CA 3.14Å; Q172-F180 HydrophobicContact CB-CD1 4.04Å; Q172-F180 HydrophobicContact CB-CD2 4.44Å; Q172-F180 HydrophobicContact CB-CE1 3.42Å; Q172-F180 VanDerWaalsContact CB-CE1 3.42Å; Q172-F180 HydrophobicContact CB-CE2 3.9Å; Q172-F180 HydrophobicContact CB-CZ 3.36Å; Q172-F180 HydrophobicContact CG-CE2 4.44Å; Q172-F180 HydrophobicContact CG-CZ 4.14Å; Q172-F180 PolarHBondContact N-O 2.96Å; Q172-F180 VanDerWaalsContact O-CD1 3.3Å; Q172-F180 WeakPolarHBondContact O-CD1 3.48Å; Q172-F180 PolarHBondContact O-N 3.2Å
173T86.1Confident88.5Confident78 Ų7858 Ų5848%0.47934%0.344SS..EExtended strand (participates in β ladder)trans-107.2121.2176.5-51.70000109.2R179T173-R179 HydrophobicContact CG2-CG 4.26Å
174Q78.1Confident88.5Confident100 Ų10052.4 Ų52.447%0.46731%0.307SS..  trans-76.2162.9176.3-64.3-170.554.600111.1D176 G177 N178 F180Q174-D176 WeakPolarHBondContact CB-OD1 3.29Å; Q174-D176 PolarHBondContact O-N 3.32Å; Q174-D176 VanDerWaalsContact O-N 3.1Å; Q174-G177 PolarHBondContact O-N 3.39Å; Q174-N178 PolarHBondContact N-O 2.79Å; Q174-F180 HydrophobicContact CG-CD1 3.75Å; Q174-F180 HydrophobicContact CG-CE1 3.44Å; Q174-F180 VanDerWaalsContact CG-CE1 3.44Å
175G71.9Confident88.7Confident97 Ų9750.2 Ų50.2100%130%0.296SS*.THydrogen-bonded Turntrans-67.9-7-17600000115.4
176D73.3Confident88.7Confident106 Ų10652.7 Ų52.757%0.56730%0.301SS*.THydrogen-bonded Turntrans-94-5.4172.958.52.8000113.1Q174 N178Q174-D176 WeakPolarHBondContact CB-OD1 3.29Å; Q174-D176 PolarHBondContact O-N 3.32Å; Q174-D176 VanDerWaalsContact O-N 3.1Å; D176-N178 WeakPolarHBondContact OD1-CB 3.31Å; D176-N178 PolarHBondContact OD1-N 2.89Å; D176-N178 PolarHBondContact OD1-ND2 2.91Å; D176-N178 PolarHBondContact OD2-ND2 3.18Å
177G74.7Confident88.7Confident48 Ų4856 Ų5650%0.49532%0.316SS..SBendtrans97.3-10.5-176.100000114.7Q174 R179Q174-G177 PolarHBondContact O-N 3.39Å; G177-R179 PolarHBondContact O-N 3.12Å
178N81.1Confident88.6Confident99 Ų9959.9 Ų59.953%0.52934%0.342SS..  trans-68.2132.2-178.6-73-42.9000111.5Q174 D176Q174-N178 PolarHBondContact N-O 2.79Å; D176-N178 WeakPolarHBondContact OD1-CB 3.31Å; D176-N178 PolarHBondContact OD1-N 2.89Å; D176-N178 PolarHBondContact OD1-ND2 2.91Å; D176-N178 PolarHBondContact OD2-ND2 3.18Å
179R86.7Confident88.7Confident93 Ų9358.9 Ų58.935%0.35133%0.334SS..EExtended strand (participates in β ladder)trans-104129.5178-59.6-175.2-169.6-126.5-8.8111.3L156 R157 Y159 V171 Q172 T173 G177L156-R179 HydrophobicContact CD2-CB 4.08Å; L156-R179 WeakPolarHBondContact CD2-O 3.44Å; L156-R179 HydrophobicContact CG-CB 4.5Å; L156-R179 WeakPolarHBondContact O-CD 3.16Å; L156-R179 PolarHBondContact O-NE 3.37Å; R157-R179 WeakPolarHBondContact O-CD 3.26Å; R157-R179 PolarHBondContact O-NE 2.97Å; R157-R179 PolarHBondContact O-NH1 3.35Å; Y159-R179 HydrophobicContact CE2-CB 4.24Å; Y159-R179 PolarHBondContact OH-O 2.84Å; V171-R179 HydrophobicContact CG1-CB 4.47Å; Q172-R179 WeakPolarHBondContact O-CA 3.14Å; T173-R179 HydrophobicContact CG2-CG 4.26Å; G177-R179 PolarHBondContact O-N 3.12Å
180F89.6Confident88.8Confident59 Ų5960.5 Ų60.526%0.25934%0.342SS..EExtended strand (participates in β ladder)trans-130.5153174.668.5-76.6000110.1Q172 Q174 E182Q172-F180 HydrophobicContact CB-CD1 4.04Å; Q172-F180 HydrophobicContact CB-CD2 4.44Å; Q172-F180 HydrophobicContact CB-CE1 3.42Å; Q172-F180 VanDerWaalsContact CB-CE1 3.42Å; Q172-F180 HydrophobicContact CB-CE2 3.9Å; Q172-F180 HydrophobicContact CB-CZ 3.36Å; Q172-F180 HydrophobicContact CG-CE2 4.44Å; Q172-F180 HydrophobicContact CG-CZ 4.14Å; Q172-F180 PolarHBondContact N-O 2.96Å; Q172-F180 VanDerWaalsContact O-CD1 3.3Å; Q172-F180 WeakPolarHBondContact O-CD1 3.48Å; Q172-F180 PolarHBondContact O-N 3.2Å; Q174-F180 HydrophobicContact CG-CD1 3.75Å; Q174-F180 HydrophobicContact CG-CE1 3.44Å; Q174-F180 VanDerWaalsContact CG-CE1 3.44Å; F180-E182 HydrophobicContact CD2-CG 4.35Å; F180-E182 HydrophobicContact CE2-CG 4.03Å
181A89.7Confident89Confident1 Ų160.2 Ų60.21%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-107.5138.1179.200000111.1L143 Y159 L169L143-A181 WeakPolarHBondContact CB-O 3.26Å; L143-A181 HydrophobicContact CD1-CB 4.28Å; L143-A181 PolarHBondContact N-O 3.13Å; Y159-A181 HydrophobicContact CD1-CB 4.14Å; Y159-A181 HydrophobicContact CD2-CB 3.87Å; Y159-A181 HydrophobicContact CE1-CB 4.47Å; Y159-A181 HydrophobicContact CE2-CB 4.22Å; Y159-A181 HydrophobicContact CG-CB 3.8Å; L169-A181 HydrophobicContact CD2-CB 4.43Å
182E93.6Very high89.2Confident36 Ų3661.4 Ų61.417%0.16834%0.341CS..EExtended strand (participates in β ladder)trans-109.5135.3163.9-59.7-172.8121.100108.9R140 L169 D170 F180R140-E182 HydrophobicContact CB-CB 4.41Å; R140-E182 WeakPolarHBondContact CD-OE2 3.15Å; R140-E182 IonicContact CZ-OE2 2.55Å; R140-E182 IonicContact NE-OE2 3.16Å; R140-E182 IonicContact NH1-OE2 3Å; R140-E182 PolarHBondContact NH1-OE2 2.86Å; L169-E182 WeakPolarHBondContact CA-O 3.22Å; D170-E182 PolarHBondContact N-O 3.05Å; D170-E182 PolarHBondContact O-N 2.83Å; F180-E182 HydrophobicContact CD2-CG 4.35Å; F180-E182 HydrophobicContact CE2-CG 4.03Å
183L95.1Very high89.5Confident0 Ų064.3 Ų64.30%036%0.355CS..EExtended strand (participates in β ladder)trans-79.3126.7169.9-166.377.5000108.9I131 R140 F141 L143 I161 F167 L169 L236 I238I131-L183 HydrophobicContact CD1-CD2 4.25Å; R140-L183 CarbonylContact C-O 3.5Å; R140-L183 WeakPolarHBondContact CA-O 3.37Å; F141-L183 HydrophobicContact CB-CB 4.3Å; F141-L183 PolarHBondContact N-O 2.83Å; F141-L183 PolarHBondContact O-N 3.31Å; L143-L183 HydrophobicContact CD1-CB 4.07Å; L143-L183 HydrophobicContact CD1-CD1 4.41Å; L143-L183 HydrophobicContact CD2-CB 4.11Å; L143-L183 HydrophobicContact CG-CB 4.09Å; I161-L183 HydrophobicContact CD1-CD1 3.67Å; F167-L183 HydrophobicContact CB-CD1 3.72Å; F167-L183 HydrophobicContact CB-CD2 4.32Å; F167-L183 HydrophobicContact CB-CG 3.97Å; F167-L183 HydrophobicContact CD1-CD1 4.41Å; F167-L183 HydrophobicContact CD1-CD2 3.48Å; F167-L183 VanDerWaalsContact CD1-CD2 3.48Å; F167-L183 HydrophobicContact CD1-CG 3.77Å; F167-L183 HydrophobicContact CE1-CD2 3.95Å; F167-L183 HydrophobicContact CG-CD1 4.29Å; F167-L183 HydrophobicContact CG-CD2 3.99Å; F167-L183 HydrophobicContact CG-CG 4.16Å; L169-L183 HydrophobicContact CD2-CD1 3.93Å; L183-L236 HydrophobicContact CD1-CD2 3.93Å; L183-L236 HydrophobicContact CD2-CD2 4.24Å; L183-I238 HydrophobicContact CD2-CD1 3.59Å; L183-I238 HydrophobicContact CD2-CG1 4.5Å
184V96.1Very high90Very high19 Ų1964.6 Ų64.612%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-111.2127179.9-174.10000109.9R140 F167 S168 D170 E186R140-V184 HydrophobicContact CG-CG2 4.29Å; F167-V184 VanDerWaalsContact CA-O 3.28Å; F167-V184 WeakPolarHBondContact CA-O 3.4Å; S168-V184 PolarHBondContact N-O 2.86Å; S168-V184 PolarHBondContact O-N 2.94Å; D170-V184 HydrophobicContact CB-CG2 3.72Å; V184-E186 PolarHBondContact O-N 2.85Å
185L97.1Very high90.8Very high1 Ų161.6 Ų61.61%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-77.8113.7177.6-174.970.9000110.9A135 P137 G138 T139 F141 Y166 F167 K187 L189A135-L185 HydrophobicContact CB-CD2 3.9Å; A135-L185 VanDerWaalsContact O-CD2 3.3Å; A135-L185 WeakPolarHBondContact O-CD2 3.23Å; P137-L185 CarbonylContact C-O 3.56Å; P137-L185 WeakPolarHBondContact CA-O 3.37Å; G138-L185 PolarHBondContact N-O 3.49Å; T139-L185 PolarHBondContact O-N 2.7Å; F141-L185 HydrophobicContact CE2-CB 4.23Å; Y166-L185 CarbonylContact O-C 3.57Å; F167-L185 HydrophobicContact CD1-CD1 3.87Å; F167-L185 HydrophobicContact CE1-CD1 3.37Å; F167-L185 HydrophobicContact CZ-CD1 3.83Å; L185-K187 WeakPolarHBondContact CD1-O 3.29Å; L185-K187 WeakPolarHBondContact CG-O 3.31Å; L185-L189 HydrophobicContact CD1-CD1 4.04Å; L185-L189 HydrophobicContact CD1-CD2 3.92Å; L185-L189 HydrophobicContact CD1-CG 3.77Å
186E96Very high92Very high110 Ų11059.7 Ų59.751%0.51431%0.312SS..  trans-87.5-28.1-178.2-69.1-69.5175.200113.4Y166 S168 V184Y166-E186 PolarHBondContact O-N 2.92Å; S168-E186 VanDerWaalsContact CB-OE1 3.29Å; S168-E186 WeakPolarHBondContact CB-OE1 3.37Å; S168-E186 PolarHBondContact OG-OE1 2.91Å; V184-E186 PolarHBondContact O-N 2.85Å
187K94.4Very high93.1Very high105 Ų10554.8 Ų54.846%0.45729%0.286SS..SBendtrans-136.1152.4-178.3-66-171.4-170.4178.50111S165 Y166 L185S165-K187 WeakPolarHBondContact O-CD 3.45Å; S165-K187 WeakPolarHBondContact O-CE 3.25Å; S165-K187 WeakPolarHBondContact O-CG 3.48Å; Y166-K187 HydrophobicContact CD1-CB 4.01Å; Y166-K187 HydrophobicContact CE1-CB 4.44Å; L185-K187 WeakPolarHBondContact CD1-O 3.29Å; L185-K187 WeakPolarHBondContact CG-O 3.31Å
188P96.1Very high94.1Very high86 Ų8661.1 Ų61.156%0.55830%0.295SS*.  trans-53.6145.9168.6-2233.7000110.5P137P137-P188 HydrophobicContact CG-CG 3.83Å
189L96.5Very high94.8Very high13 Ų1357.7 Ų57.77%0.06828%0.275CS..  trans-92.9164.1170.5-61.6172.6000109.2I131 E133 Y166 F167 L185 V240I131-L189 HydrophobicContact CB-CD1 4.18Å; I131-L189 HydrophobicContact CG2-CD1 3.64Å; E133-L189 HydrophobicContact CB-CB 4.16Å; Y166-L189 HydrophobicContact CD1-CD2 3.78Å; Y166-L189 HydrophobicContact CE1-CD2 4.4Å; Y166-L189 HydrophobicContact CG-CD2 4.23Å; F167-L189 HydrophobicContact CE2-CD2 4.12Å; F167-L189 HydrophobicContact CZ-CD1 4.06Å; F167-L189 HydrophobicContact CZ-CD2 3.74Å; F167-L189 HydrophobicContact CZ-CG 4.45Å; L185-L189 HydrophobicContact CD1-CD1 4.04Å; L185-L189 HydrophobicContact CD1-CD2 3.92Å; L185-L189 HydrophobicContact CD1-CG 3.77Å; L189-V240 HydrophobicContact CB-CG1 4.2Å; L189-V240 HydrophobicContact CD1-CG1 4.42Å; L189-V240 HydrophobicContact CD1-CG2 4.35Å
190D96.6Very high95.2Very high70 Ų7055.5 Ų55.537%0.37427%0.272SS..  trans-153.3109.5-177.8169.6-22000104.8E192 Q193 Q194D190-E192 PolarHBondContact OD1-N 3.3Å; D190-Q193 HydrophobicContact CB-CB 3.99Å; D190-Q193 VanDerWaalsContact OD1-CB 3.25Å; D190-Q193 WeakPolarHBondContact OD1-CB 3.23Å; D190-Q193 PolarHBondContact OD1-N 2.87Å; D190-Q193 WeakPolarHBondContact OD2-CB 3.09Å; D190-Q194 PolarHBondContact O-N 3.09Å
191R96.9Very high95.5Very high33 Ų3352.8 Ų52.813%0.12526%0.26CS..Hα-helixtrans-73.8-37.5-173.5-172.8-153.767103.22.4110.5E133 Q193 Q194 A195 V240 D242 P277 E279E133-R191 WeakPolarHBondContact OE2-CB 3.28Å; E133-R191 PolarHBondContact OE2-N 2.83Å; R191-Q193 PolarHBondContact O-N 2.88Å; R191-Q194 CarbonylContact O-C 3.56Å; R191-Q194 PolarHBondContact O-N 2.86Å; R191-A195 HydrophobicContact CG-CB 3.7Å; R191-A195 PolarHBondContact O-N 2.87Å; R191-V240 HydrophobicContact CB-CB 4.33Å; R191-V240 HydrophobicContact CB-CG1 3.85Å; R191-V240 HydrophobicContact CG-CB 4.27Å; R191-V240 HydrophobicContact CG-CG1 4.27Å; R191-D242 IonicContact CZ-OD1 2.99Å; R191-D242 VanDerWaalsContact CZ-OD1 3.31Å; R191-D242 IonicContact NE-OD1 3.57Å; R191-D242 PolarHBondContact NE-OD1 3.1Å; R191-D242 IonicContact NH2-OD1 2.71Å; R191-P277 PolarHBondContact NH2-O 2.86Å; R191-E279 IonicContact CZ-OE2 2.68Å; R191-E279 IonicContact NH1-OE2 3.94Å; R191-E279 PolarHBondContact NH1-OE2 2.75Å
192E95.7Very high95.7Very high64 Ų6454 Ų5430%0.29927%0.267SS..Hα-helixtrans-62.2-32.8176.7-68.260-120.800111.1D190 P277D190-E192 PolarHBondContact OD1-N 3.3Å; E192-P277 HydrophobicContact CG-CB 3.83Å; E192-P277 HydrophobicContact CG-CG 4.06Å
193Q94.9Very high95.8Very high133 Ų13352.3 Ų52.362%0.62126%0.259SS*.Hα-helixtrans-77-49.8170.4-179.3167.86800112.3Y166 D190 R191Y166-Q193 PolarHBondContact OH-OE1 2.85Å; D190-Q193 HydrophobicContact CB-CB 3.99Å; D190-Q193 VanDerWaalsContact OD1-CB 3.25Å; D190-Q193 WeakPolarHBondContact OD1-CB 3.23Å; D190-Q193 PolarHBondContact OD1-N 2.87Å; D190-Q193 WeakPolarHBondContact OD2-CB 3.09Å; R191-Q193 PolarHBondContact O-N 2.88Å
194Q95.2Very high95.6Very high83 Ų8352.7 Ų52.739%0.38826%0.261SS..Hα-helixtrans-155.186.8-180-168.2174.6-14.800114.6D190 R191 V196 H197 V240D190-Q194 PolarHBondContact O-N 3.09Å; R191-Q194 CarbonylContact O-C 3.56Å; R191-Q194 PolarHBondContact O-N 2.86Å; Q194-V196 WeakPolarHBondContact CG-O 3.33Å; Q194-V196 PolarHBondContact NE2-O 3.36Å; Q194-V196 PolarHBondContact O-N 3Å; Q194-H197 VanDerWaalsContact CD-CE1 3.48Å; Q194-H197 PolarHBondContact O-NE2 2.84Å; Q194-V240 WeakPolarHBondContact O-CG2 3.36Å
195A96Very high95.4Very high37 Ų3751.8 Ų51.831%0.30626%0.256SS..SBendtrans-58.7-19.9177.800000116.9R191 V240R191-A195 HydrophobicContact CG-CB 3.7Å; R191-A195 PolarHBondContact O-N 2.87Å; A195-V240 PolarHBondContact O-N 3.29Å
196V96.9Very high94.6Very high57 Ų5752.1 Ų52.135%0.34526%0.26SS..EExtended strand (participates in β ladder)trans-140126.7-177.8-176.50000111.9Q194 T237 I238Q194-V196 WeakPolarHBondContact CG-O 3.33Å; Q194-V196 PolarHBondContact NE2-O 3.36Å; Q194-V196 PolarHBondContact O-N 3Å; V196-T237 HydrophobicContact CG1-CG2 4Å; V196-I238 WeakPolarHBondContact CA-O 3.49Å
197H95.6Very high93.3Very high3 Ų347.1 Ų47.11%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-110.4150171.6-62.4-107.7000111Y166 Q194 Y199 T237 I238Y166-H197 AromaticContact CD2-CE1 3.55Å; Y166-H197 AromaticContact CD2-ND1 3.94Å; Y166-H197 AromaticContact CE2-CE1 3.57Å; Q194-H197 VanDerWaalsContact CD-CE1 3.48Å; Q194-H197 PolarHBondContact O-NE2 2.84Å; H197-Y199 HydrophobicContact CB-CD2 4.4Å; H197-Y199 HydrophobicContact CB-CE2 3.59Å; H197-Y199 AromaticContact ND1-CZ 3.96Å; H197-Y199 PolarHBondContact ND1-OH 2.89Å; H197-T237 WeakPolarHBondContact O-CA 3.46Å; H197-I238 HydrophobicContact CB-CB 4.23Å; H197-I238 PolarHBondContact N-O 3.32Å; H197-I238 PolarHBondContact O-N 2.92Å
198R96.8Very high91.7Very high181 Ų18144.5 Ų44.568%0.68324%0.241SC*.EExtended strand (participates in β ladder)trans-136.1124.1179.2-65.5-177178.7-80.72.5109.6L236 T237R198-L236 WeakPolarHBondContact CA-O 3.21Å; R198-T237 PolarHBondContact NH1-OG1 2.84Å; R198-T237 VanDerWaalsContact NH1-OG1 3.11Å
199Y96.1Very high89.5Confident27 Ų2743.3 Ų43.311%0.10624%0.244CC..EExtended strand (participates in β ladder)trans-132.6160-178.4-59.7-55.6000110I161 T162 N164 F167 H197 L236 I238I161-Y199 HydrophobicContact CD1-CD2 4.34Å; I161-Y199 HydrophobicContact CD1-CG 4.23Å; I161-Y199 HydrophobicContact CG1-CG 4.48Å; T162-Y199 WeakPolarHBondContact OG1-CA 3.26Å; T162-Y199 VanDerWaalsContact OG1-CB 3.32Å; T162-Y199 WeakPolarHBondContact OG1-CB 3.49Å; T162-Y199 WeakPolarHBondContact OG1-CD1 3.46Å; N164-Y199 HydrophobicContact CB-CD1 3.98Å; N164-Y199 HydrophobicContact CB-CE1 3.26Å; F167-Y199 HydrophobicContact CD2-CD2 4.35Å; F167-Y199 AromaticContact CD2-CE2 3.46Å; F167-Y199 HydrophobicContact CD2-CE2 3.46Å; F167-Y199 VanDerWaalsContact CD2-CE2 3.46Å; F167-Y199 AromaticContact CE2-CE2 3.87Å; F167-Y199 HydrophobicContact CE2-CE2 3.87Å; F167-Y199 HydrophobicContact CG-CE2 4.48Å; H197-Y199 HydrophobicContact CB-CD2 4.4Å; H197-Y199 HydrophobicContact CB-CE2 3.59Å; H197-Y199 AromaticContact ND1-CZ 3.96Å; H197-Y199 PolarHBondContact ND1-OH 2.89Å; Y199-L236 PolarHBondContact N-O 2.89Å; Y199-L236 PolarHBondContact O-N 3.34Å; Y199-I238 HydrophobicContact CD2-CD1 3.98Å; Y199-I238 HydrophobicContact CE2-CD1 3.94Å
200V95.3Very high86.8Confident48 Ų4846.1 Ų46.129%0.29128%0.276SS..EExtended strand (participates in β ladder)trans-105.5128167.9-170.30000107.6I161 T162 T233 L235I161-V200 WeakPolarHBondContact CA-O 3.26Å; T162-V200 HydrophobicContact CG2-CB 3.72Å; T162-V200 HydrophobicContact CG2-CG2 3.98Å; T162-V200 PolarHBondContact N-O 3.41Å; T162-V200 PolarHBondContact OG1-N 2.91Å; T162-V200 VanDerWaalsContact OG1-N 3.11Å; V200-T233 HydrophobicContact CG1-CG2 4.3Å; V200-L235 HydrophobicContact CG1-CD2 4.49Å; V200-L235 HydrophobicContact CG2-CD2 3.93Å
201L95.4Very high84.1Confident1 Ų146.2 Ų46.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-100.5126.9172-17767.4000107.6F122 L143 L169 T233 A234F122-L201 HydrophobicContact CD1-CD2 4.43Å; F122-L201 HydrophobicContact CE1-CD2 3.55Å; F122-L201 HydrophobicContact CE1-CG 4.07Å; F122-L201 HydrophobicContact CZ-CD2 3.75Å; F122-L201 HydrophobicContact CZ-CG 3.71Å; L143-L201 HydrophobicContact CD1-CD1 4.19Å; L143-L201 HydrophobicContact CD1-CD2 4.06Å; L169-L201 HydrophobicContact CD1-CD1 3.66Å; L169-L201 HydrophobicContact CD2-CD1 4.12Å; L201-T233 CarbonylContact O-C 3.6Å; L201-T233 VanDerWaalsContact O-CA 3.31Å; L201-T233 WeakPolarHBondContact O-CA 3.49Å; L201-A234 PolarHBondContact N-O 2.97Å; L201-A234 PolarHBondContact O-N 2.95Å
202T94.6Very high81.1Confident28 Ų2852.2 Ų52.217%0.17233%0.334CS..EExtended strand (participates in β ladder)trans-119.6126.8-178.9-500000108.8Y159 E160 V204 T231 G232 T233Y159-T202 CarbonylContact C-O 3.4Å; Y159-T202 WeakPolarHBondContact CA-O 3.34Å; E160-T202 PolarHBondContact N-O 3.47Å; E160-T202 PolarHBondContact O-N 3.17Å; T202-V204 HydrophobicContact CG2-CG1 3.95Å; T202-T231 HydrophobicContact CG2-CG2 4.28Å; T202-G232 CarbonylContact C-O 3.54Å; T202-G232 VanDerWaalsContact CA-O 3.29Å; T202-G232 WeakPolarHBondContact CA-O 3.3Å; T202-G232 WeakPolarHBondContact CG2-O 3.4Å; T202-T233 HydrophobicContact CG2-CG2 4.1Å
203A93.7Very high78.3Confident0 Ų052.8 Ų52.80%036%0.356CS..EExtended strand (participates in β ladder)trans-96.3137.2166.900000108.7P120 F122 A146 L156 Y159 T231 G232P120-A203 HydrophobicContact CB-CB 4.07Å; P120-A203 HydrophobicContact CG-CB 4.3Å; F122-A203 HydrophobicContact CE2-CB 3.72Å; F122-A203 HydrophobicContact CZ-CB 3.64Å; A146-A203 HydrophobicContact CB-CB 3.38Å; L156-A203 HydrophobicContact CD1-CB 3.82Å; Y159-A203 HydrophobicContact CD1-CB 4.13Å; Y159-A203 HydrophobicContact CE1-CB 4.16Å; A203-T231 CarbonylContact O-C 3.48Å; A203-T231 WeakPolarHBondContact O-CA 3.3Å; A203-T231 WeakPolarHBondContact O-CB 3.32Å; A203-G232 PolarHBondContact N-O 3.34Å; A203-G232 PolarHBondContact O-N 2.77Å
204V92.7Very high75.4Confident7 Ų756.2 Ų56.24%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-127.2136.6-178.1-47.80000110.6R157 D158 T202 T231R157-V204 WeakPolarHBondContact CA-O 3.38Å; R157-V204 WeakPolarHBondContact CB-O 3.29Å; R157-V204 PolarHBondContact N-O 3.36Å; D158-V204 HydrophobicContact CB-CG2 3.62Å; D158-V204 PolarHBondContact N-O 3.43Å; D158-V204 VanDerWaalsContact N-O 3.08Å; D158-V204 PolarHBondContact O-N 2.9Å; T202-V204 HydrophobicContact CG2-CG1 3.95Å; V204-T231 HydrophobicContact CB-CG2 4.18Å; V204-T231 HydrophobicContact CG1-CG2 3.73Å
205D90.2Very high72.7Confident0 Ų056 Ų560%039%0.393CS..EExtended strand (participates in β ladder)trans-79.5-177.9174.269.731.8000112N116 P120 N154 R157 G207 Q229 R230N116-D205 PolarHBondContact ND2-OD2 3.17Å; N116-D205 PolarHBondContact OD1-OD2 2.87Å; P120-D205 HydrophobicContact CG-CB 4.37Å; N154-D205 WeakPolarHBondContact O-CB 3.13Å; R157-D205 VanDerWaalsContact CB-C 3.48Å; R157-D205 WeakPolarHBondContact CB-O 3.41Å; D205-G207 WeakPolarHBondContact OD1-CA 3.25Å; D205-G207 PolarHBondContact OD1-N 2.85Å; D205-Q229 WeakPolarHBondContact O-CG 3.48Å; D205-Q229 PolarHBondContact O-NE2 2.93Å; D205-Q229 VanDerWaalsContact OD1-CA 3.24Å; D205-Q229 WeakPolarHBondContact OD1-CA 3.49Å; D205-Q229 WeakPolarHBondContact OD1-CG 3.3Å; D205-R230 PolarHBondContact N-O 3.22Å; D205-R230 PolarHBondContact OD1-N 3.19Å; D205-R230 VanDerWaalsContact OD1-N 3.12Å; D205-R230 VanDerWaalsContact OD2-CA 3.22Å; D205-R230 WeakPolarHBondContact OD2-CA 3.38Å; D205-R230 WeakPolarHBondContact OD2-CB 3.32Å; D205-R230 WeakPolarHBondContact OD2-CG 3.5Å; D205-R230 PolarHBondContact OD2-N 3.24Å
206G82Confident69.9Low9 Ų958.4 Ų58.49%0.09342%0.421CS..  trans-94.44.4175.500000116.2T153 S155 G208T153-G206 CarbonylContact O-C 3.51Å; T153-G206 VanDerWaalsContact O-C 3.26Å; T153-G206 WeakPolarHBondContact O-CA 3.31Å; S155-G206 PolarHBondContact O-N 2.85Å; G206-G208 PolarHBondContact O-N 2.87Å
207G67.2Low67Low5 Ų559.6 Ų59.65%0.05245%0.445CS..THydrogen-bonded Turntrans-52.9124.8-177.400000113D205 Q229D205-G207 WeakPolarHBondContact OD1-CA 3.25Å; D205-G207 PolarHBondContact OD1-N 2.85Å; G207-Q229 WeakPolarHBondContact O-CA 3.18Å; G207-Q229 VanDerWaalsContact O-CB 3.28Å; G207-Q229 WeakPolarHBondContact O-CB 3.22Å; G207-Q229 PolarHBondContact O-N 2.76Å
208G61Low64Low50 Ų5063.7 Ų63.752%0.51549%0.488SS..THydrogen-bonded Turntrans96.818.1177.500000116.5G206 G210 Q227G206-G208 PolarHBondContact O-N 2.87Å; G208-G210 VanDerWaalsContact C-N 3.3Å; G208-G210 PolarHBondContact O-N 3.43Å; G208-Q227 VanDerWaalsContact CA-O 3.28Å; G208-Q227 WeakPolarHBondContact CA-O 3.4Å; G208-Q227 PolarHBondContact N-O 3Å
209G49.4Very low61Low61 Ų6158.8 Ų58.863%0.62949%0.493SS*.  trans-74.53.8179.600000117.9G211G209-G211 PolarHBondContact O-N 2.77Å
210G41.7Very low57.9Low72 Ų7262 Ų6274%0.74254%0.535SS*.  trans-73.5107.1-177.900000113.3G208G208-G210 VanDerWaalsContact C-N 3.3Å; G208-G210 PolarHBondContact O-N 3.43Å
211G37.9Very low55Low72 Ų7263.2 Ų63.274%0.74256%0.558SS**  trans-66.4138.4-168.600000117G209 G213G209-G211 PolarHBondContact O-N 2.77Å; G211-G213 PolarHBondContact O-N 3.03Å
212V33.9Very low52.2Low159 Ų15968.4 Ų68.496%0.96460%0.6SS**  trans-1.4107.2154.6-172.70000116.2
213G37.5Very low49.5Very low75 Ų7570.6 Ų70.677%0.77363%0.629SS**  trans-158.5111168.200000111.9G211G211-G213 PolarHBondContact O-N 3.03Å
214E35.5Very low47.3Very low205 Ų20577.1 Ų77.196%0.95866%0.663SS**  trans-70.2145.5177.1-60.7175.7110.500111.7
215G37.9Very low45.4Very low79 Ų7980.9 Ų80.981%0.81469%0.688SS**  trans146.347.7153.500000122.2
216G36.4Very low43.7Very low87 Ų8785.3 Ų85.390%0.89772%0.716SS**  trans71.4152.5137.900000122.4
217G35.5Very low42.9Very low82 Ų8290.9 Ų90.985%0.84574%0.74SS**  trans114.371.115000000117
218G33Very low43.5Very low89 Ų8996.9 Ų96.992%0.91877%0.766SS**  trans-62.3157.8-176.100000118.1
219G34.3Very low44.8Very low78 Ų7899.1 Ų99.180%0.80476%0.763SS**  trans-167.5118168.300000107.9
220G30.5Very low46.8Very low94 Ų94100.7 Ų100.797%0.96975%0.75SS**  trans-75.4132.7-162.200000115.4
221G34.7Very low49.2Very low75 Ų75101 Ų10177%0.77374%0.738SS**  trans-140.1147.9162.300000108.4
222A37.8Very low51.8Low109 Ų10998 Ų9890%0.90171%0.707SS**  trans-81.1150.1-17100000113.2
223G36.1Very low54.7Low75 Ų7594.5 Ų94.577%0.77369%0.686SS**  trans106.6-9.7139.500000120.2P225G223-P225 VanDerWaalsContact O-CD 3.23Å; G223-P225 WeakPolarHBondContact O-CD 3.39Å
224L48Very low57.5Low137 Ų13791 Ų9172%0.71765%0.65SS**PPolyproline II helixtrans-65.8117-178.7-84.6150.3000112.5
225P52.6Low60.3Low86 Ų8685.4 Ų85.456%0.55863%0.626SS**PPolyproline II helixtrans-66.3140.2166.329-32.9000109.2G223 Q227G223-P225 VanDerWaalsContact O-CD 3.23Å; G223-P225 WeakPolarHBondContact O-CD 3.39Å; P225-Q227 PolarHBondContact O-N 2.79Å
226P55.8Low63.1Low92 Ų9281.7 Ų81.760%0.59759%0.588SS**PPolyproline II helixtrans-69.9132.9179.129.8-34.5000110Q228P226-Q228 HydrophobicContact CB-CG 3.94Å; P226-Q228 HydrophobicContact CG-CG 3.93Å; P226-Q228 VanDerWaalsContact CG-NE2 3.35Å; P226-Q228 PolarHBondContact O-N 2.69Å
227Q64.4Low65.9Low126 Ų12678.1 Ų78.159%0.58955%0.549SS*.  trans-6681.1168.3-71.2-179.5-10.500109.6G208 P225G208-Q227 VanDerWaalsContact CA-O 3.28Å; G208-Q227 WeakPolarHBondContact CA-O 3.4Å; G208-Q227 PolarHBondContact N-O 3Å; P225-Q227 PolarHBondContact O-N 2.79Å
228Q80.7Confident68.8Low131 Ų13174.2 Ų74.261%0.61251%0.508SS*.  trans-98.1148.5175.3-65.2-176.35.200109.7N116 P226N116-Q228 PolarHBondContact ND2-O 3.24Å; P226-Q228 HydrophobicContact CB-CG 3.94Å; P226-Q228 HydrophobicContact CG-CG 3.93Å; P226-Q228 VanDerWaalsContact CG-NE2 3.35Å; P226-Q228 PolarHBondContact O-N 2.69Å
229Q86.9Confident71.8Confident97 Ų9776 Ų7645%0.45349%0.487SS..  trans-66.5134.7171.6-152.7179.410.700110.1D205 G207D205-Q229 WeakPolarHBondContact O-CG 3.48Å; D205-Q229 PolarHBondContact O-NE2 2.93Å; D205-Q229 VanDerWaalsContact OD1-CA 3.24Å; D205-Q229 WeakPolarHBondContact OD1-CA 3.49Å; D205-Q229 WeakPolarHBondContact OD1-CG 3.3Å; G207-Q229 WeakPolarHBondContact O-CA 3.18Å; G207-Q229 VanDerWaalsContact O-CB 3.28Å; G207-Q229 WeakPolarHBondContact O-CB 3.22Å; G207-Q229 PolarHBondContact O-N 2.76Å
230R91.2Very high74.8Confident95 Ų9572.7 Ų72.736%0.35845%0.452SS..  trans-112160.6171.5-48167.4164.4-124.6-0.4109.8N116 D117 N118 P119 D205N116-R230 PolarHBondContact O-NE 3.21Å; N116-R230 PolarHBondContact O-NH2 2.87Å; D117-R230 VanDerWaalsContact C-CZ 3.41Å; D117-R230 VanDerWaalsContact C-NH1 3.34Å; D117-R230 VanDerWaalsContact CA-NH2 3.33Å; D117-R230 PolarHBondContact O-NH1 3.02Å; D117-R230 PolarHBondContact O-NH2 3.01Å; N118-R230 VanDerWaalsContact O-CD 3.31Å; N118-R230 WeakPolarHBondContact O-CD 3.21Å; P119-R230 HydrophobicContact CB-CB 3.89Å; D205-R230 PolarHBondContact N-O 3.22Å; D205-R230 PolarHBondContact OD1-N 3.19Å; D205-R230 VanDerWaalsContact OD1-N 3.12Å; D205-R230 VanDerWaalsContact OD2-CA 3.22Å; D205-R230 WeakPolarHBondContact OD2-CA 3.38Å; D205-R230 WeakPolarHBondContact OD2-CB 3.32Å; D205-R230 WeakPolarHBondContact OD2-CG 3.5Å; D205-R230 PolarHBondContact OD2-N 3.24Å
231T92.9Very high77.9Confident77 Ų7771.8 Ų71.847%0.47242%0.424SS..EExtended strand (participates in β ladder)trans-141.6145.7-174.663.70000112T202 A203 V204T202-T231 HydrophobicContact CG2-CG2 4.28Å; A203-T231 CarbonylContact O-C 3.48Å; A203-T231 WeakPolarHBondContact O-CA 3.3Å; A203-T231 WeakPolarHBondContact O-CB 3.32Å; V204-T231 HydrophobicContact CB-CG2 4.18Å; V204-T231 HydrophobicContact CG1-CG2 3.73Å
232G93.2Very high80.9Confident9 Ų969.9 Ų69.99%0.09340%0.396CS..EExtended strand (participates in β ladder)trans-109.2152.2166.900000110.3P120 T202 A203P120-G232 WeakPolarHBondContact O-CA 3.3Å; P120-G232 PolarHBondContact O-N 3.24Å; T202-G232 CarbonylContact C-O 3.54Å; T202-G232 VanDerWaalsContact CA-O 3.29Å; T202-G232 WeakPolarHBondContact CA-O 3.3Å; T202-G232 WeakPolarHBondContact CG2-O 3.4Å; A203-G232 PolarHBondContact N-O 3.34Å; A203-G232 PolarHBondContact O-N 2.77Å
233T94.6Very high83.6Confident86 Ų8665.7 Ų65.753%0.52836%0.36SS..EExtended strand (participates in β ladder)trans-133.7146178.152.80000112.3V200 L201 T202V200-T233 HydrophobicContact CG1-CG2 4.3Å; L201-T233 CarbonylContact O-C 3.6Å; L201-T233 VanDerWaalsContact O-CA 3.31Å; L201-T233 WeakPolarHBondContact O-CA 3.49Å; T202-T233 HydrophobicContact CG2-CG2 4.1Å
234A94.7Very high86.5Confident3 Ų363.5 Ų63.53%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-134.9145169.300000110.2F122 P125 L201F122-A234 HydrophobicContact CB-CB 4.09Å; F122-A234 HydrophobicContact CD1-CB 4.27Å; F122-A234 HydrophobicContact CD2-CB 3.68Å; F122-A234 HydrophobicContact CE2-CB 4.15Å; F122-A234 HydrophobicContact CG-CB 3.75Å; P125-A234 CarbonylContact O-C 3.57Å; P125-A234 WeakPolarHBondContact O-CA 3.43Å; L201-A234 PolarHBondContact N-O 2.97Å; L201-A234 PolarHBondContact O-N 2.95Å
235L95.4Very high88.7Confident86 Ų8662.1 Ų62.145%0.4532%0.324SS..EExtended strand (participates in β ladder)trans-88.6108.7175-62.3-176.8000109.4P125 D126 L127 V200 T237P125-L235 PolarHBondContact O-N 3.23Å; D126-L235 CarbonylContact C-O 3.55Å; L127-L235 PolarHBondContact N-O 2.72Å; V200-L235 HydrophobicContact CG1-CD2 4.49Å; V200-L235 HydrophobicContact CG2-CD2 3.93Å; L235-T237 PolarHBondContact O-N 3.29Å
236L95.4Very high90.7Very high1 Ų160.7 Ų60.71%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-86.1110.9177.4175.760.5000109.9L127 V129 L143 I161 L183 R198 Y199 I238L127-L236 HydrophobicContact CB-CD1 4.49Å; L127-L236 HydrophobicContact CD2-CD1 4.16Å; L127-L236 HydrophobicContact CG-CD1 4.15Å; L127-L236 WeakPolarHBondContact O-CA 3.19Å; V129-L236 HydrophobicContact CB-CD1 4.42Å; V129-L236 HydrophobicContact CG2-CD1 3.71Å; L143-L236 HydrophobicContact CD2-CD1 4.19Å; L143-L236 HydrophobicContact CD2-CD2 4.41Å; I161-L236 HydrophobicContact CD1-CD2 4.07Å; L183-L236 HydrophobicContact CD1-CD2 3.93Å; L183-L236 HydrophobicContact CD2-CD2 4.24Å; R198-L236 WeakPolarHBondContact CA-O 3.21Å; Y199-L236 PolarHBondContact N-O 2.89Å; Y199-L236 PolarHBondContact O-N 3.34Å; L236-I238 HydrophobicContact CD1-CG1 4.23Å; L236-I238 HydrophobicContact CD2-CD1 4.29Å; L236-I238 HydrophobicContact CD2-CG1 4.43Å; L236-I238 HydrophobicContact CG-CD1 4.44Å; L236-I238 HydrophobicContact CG-CG1 4.06Å
237T96.5Very high92.6Very high13 Ų1359.7 Ų59.78%0.0830%0.304CS..EExtended strand (participates in β ladder)trans-101.7118.7171.1-59.50000109.6L127 T128 V129 V196 H197 R198 L235L127-T237 PolarHBondContact O-N 3.43Å; T128-T237 VanDerWaalsContact CA-O 3.3Å; T128-T237 WeakPolarHBondContact CA-O 3.43Å; V129-T237 PolarHBondContact N-O 2.86Å; V196-T237 HydrophobicContact CG1-CG2 4Å; H197-T237 WeakPolarHBondContact O-CA 3.46Å; R198-T237 PolarHBondContact NH1-OG1 2.84Å; R198-T237 VanDerWaalsContact NH1-OG1 3.11Å; L235-T237 PolarHBondContact O-N 3.29Å
238I95.9Very high94.2Very high0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-102.7122.7175.8-55.6174.6000108.2V129 I131 F167 L183 V196 H197 Y199 L236V129-I238 WeakPolarHBondContact O-CA 3.12Å; I131-I238 HydrophobicContact CB-CG2 4.31Å; I131-I238 HydrophobicContact CD1-CG2 3.79Å; I131-I238 HydrophobicContact CG1-CG2 4.05Å; F167-I238 HydrophobicContact CD1-CD1 4.09Å; F167-I238 HydrophobicContact CD2-CD1 3.7Å; F167-I238 HydrophobicContact CE1-CD1 3.82Å; F167-I238 HydrophobicContact CE2-CD1 3.43Å; F167-I238 VanDerWaalsContact CE2-CD1 3.43Å; F167-I238 HydrophobicContact CG-CD1 4.01Å; F167-I238 HydrophobicContact CZ-CD1 3.49Å; F167-I238 VanDerWaalsContact CZ-CD1 3.49Å; F167-I238 HydrophobicContact CZ-CG2 4.06Å; L183-I238 HydrophobicContact CD2-CD1 3.59Å; L183-I238 HydrophobicContact CD2-CG1 4.5Å; V196-I238 WeakPolarHBondContact CA-O 3.49Å; H197-I238 HydrophobicContact CB-CB 4.23Å; H197-I238 PolarHBondContact N-O 3.32Å; H197-I238 PolarHBondContact O-N 2.92Å; Y199-I238 HydrophobicContact CD2-CD1 3.98Å; Y199-I238 HydrophobicContact CE2-CD1 3.94Å; L236-I238 HydrophobicContact CD1-CG1 4.23Å; L236-I238 HydrophobicContact CD2-CD1 4.29Å; L236-I238 HydrophobicContact CD2-CG1 4.43Å; L236-I238 HydrophobicContact CG-CD1 4.44Å; L236-I238 HydrophobicContact CG-CG1 4.06Å
239R96.7Very high94.9Very high126 Ų12649.9 Ų49.948%0.47527%0.267SS..EExtended strand (participates in β ladder)trans-95.9119.3171.3-67179.4175.5-84.20.6108.2T128 V129 E130 I131T128-R239 HydrophobicContact CG2-CG 4.17Å; V129-R239 PolarHBondContact O-N 2.88Å; E130-R239 WeakPolarHBondContact CA-O 3.45Å; E130-R239 HydrophobicContact CG-CB 4.34Å; I131-R239 PolarHBondContact N-O 2.87Å
240V96.8Very high95.4Very high9 Ų946.7 Ų46.76%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-79.5119.8173.2-171.20000107.4I131 E133 L189 R191 Q194 A195I131-V240 CarbonylContact O-C 3.58Å; I131-V240 VanDerWaalsContact O-CA 3.27Å; I131-V240 WeakPolarHBondContact O-CA 3.35Å; E133-V240 HydrophobicContact CB-CG1 3.64Å; L189-V240 HydrophobicContact CB-CG1 4.2Å; L189-V240 HydrophobicContact CD1-CG1 4.42Å; L189-V240 HydrophobicContact CD1-CG2 4.35Å; R191-V240 HydrophobicContact CB-CB 4.33Å; R191-V240 HydrophobicContact CB-CG1 3.85Å; R191-V240 HydrophobicContact CG-CB 4.27Å; R191-V240 HydrophobicContact CG-CG1 4.27Å; Q194-V240 WeakPolarHBondContact O-CG2 3.36Å; A195-V240 PolarHBondContact O-N 3.29Å
241L96.5Very high95.5Very high74 Ų7447.3 Ų47.339%0.38726%0.262SS..EExtended strand (participates in β ladder)trans-87.6132.5177-63178.7000110.1E130 I131 S132 E133E130-L241 HydrophobicContact CB-CD1 3.9Å; E130-L241 HydrophobicContact CB-CD2 4.32Å; E130-L241 HydrophobicContact CB-CG 4.05Å; I131-L241 PolarHBondContact O-N 2.83Å; S132-L241 WeakPolarHBondContact CA-O 3.39Å; E133-L241 PolarHBondContact N-O 3.09Å
242D96.8Very high95.6Very high36 Ų3648 Ų4819%0.19326%0.26CS..PPolyproline II helixtrans-60.5140.7-179.4-171.386.7000113.7E133 R191 E279 N282E133-D242 VanDerWaalsContact OE1-CA 3.23Å; E133-D242 WeakPolarHBondContact OE1-CA 3.43Å; R191-D242 IonicContact CZ-OD1 2.99Å; R191-D242 VanDerWaalsContact CZ-OD1 3.31Å; R191-D242 IonicContact NE-OD1 3.57Å; R191-D242 PolarHBondContact NE-OD1 3.1Å; R191-D242 IonicContact NH2-OD1 2.71Å; D242-E279 HydrophobicContact CB-CB 3.73Å; D242-E279 VanDerWaalsContact CG-CB 3.42Å; D242-E279 VanDerWaalsContact CG-N 3.31Å; D242-E279 VanDerWaalsContact OD1-CB 3.28Å; D242-E279 WeakPolarHBondContact OD1-CB 3.48Å; D242-E279 PolarHBondContact OD1-N 2.93Å; D242-E279 PolarHBondContact OD2-N 3.31Å; D242-N282 PolarHBondContact OD2-ND2 2.78Å
243S94.8Very high95.8Very high20 Ų2052.5 Ų52.514%0.1429%0.287CS..  trans-133.3137.8172.7-65.20000109S132 E133 S134 D245S132-S243 PolarHBondContact OG-OG 3.06Å; S132-S243 VanDerWaalsContact OG-OG 3.06Å; E133-S243 PolarHBondContact OE1-N 3.04Å; S134-S243 PolarHBondContact OG-OG 2.81Å; S243-D245 PolarHBondContact O-N 3.16Å
244N95.8Very high95.9Very high29 Ų2951.5 Ų51.516%0.15528%0.281CS..SBendtrans-7271-179.1-160.9114.5000112.4N246 D278 N282 D332 G334N244-N246 PolarHBondContact ND2-O 3.34Å; N244-D278 VanDerWaalsContact CA-OD2 3.3Å; N244-D278 WeakPolarHBondContact CA-OD2 3.3Å; N244-N282 HydrophobicContact CB-CB 4.05Å; N244-N282 PolarHBondContact N-ND2 2.77Å; N244-N282 VanDerWaalsContact OD1-CA 3.29Å; N244-N282 WeakPolarHBondContact OD1-CA 3.26Å; N244-N282 VanDerWaalsContact OD1-CB 3.23Å; N244-N282 WeakPolarHBondContact OD1-CB 3.44Å; N244-D332 PolarHBondContact OD1-OD1 2.77Å; N244-G334 WeakPolarHBondContact OD1-CA 3.41Å
245D94.9Very high96Very high109 Ų10952.1 Ų52.158%0.58328%0.282SS*.  trans-108-15.4-17693.5-25.3000113.9S243 D278S243-D245 PolarHBondContact O-N 3.16Å; D245-D278 PolarHBondContact N-OD2 3.25Å
246N95.2Very high96.2Very high56 Ų5651.9 Ų51.930%0.29929%0.285SS..SBendtrans-84.3171.8160.3-60.1-82.3000110.7N244 P277 D278N244-N246 PolarHBondContact ND2-O 3.34Å; N246-P277 HydrophobicContact CB-CG 3.67Å; N246-P277 VanDerWaalsContact CG-CG 3.49Å; N246-D278 VanDerWaalsContact CB-OD1 3.22Å; N246-D278 WeakPolarHBondContact CB-OD1 3.22Å; N246-D278 PolarHBondContact N-OD2 2.94Å; N246-D278 PolarHBondContact ND2-OD1 2.97Å
247V95.8Very high96.3Very high71 Ų7153 Ų5343%0.4329%0.292SS..  trans-140.5151178.6-58.20000109.5A249 V338V247-A249 PolarHBondContact O-N 3.13Å; V247-V338 HydrophobicContact CG1-CB 3.8Å; V247-V338 HydrophobicContact CG1-CG1 4.33Å; V247-V338 HydrophobicContact CG1-CG2 4.41Å
248P97.1Very high96.3Very high1 Ų155.5 Ų55.51%0.00631%0.31CS..  trans-60.7125-174.8-26.434.1000112.3A274 D276 V285 A330 D332 A340P248-A274 HydrophobicContact CB-CB 4.09Å; P248-D276 WeakPolarHBondContact CA-OD2 3.39Å; P248-D276 WeakPolarHBondContact CD-OD2 3.46Å; P248-D276 VanDerWaalsContact CG-OD2 3.31Å; P248-D276 WeakPolarHBondContact CG-OD2 3.49Å; P248-V285 HydrophobicContact CB-CG1 3.84Å; P248-V285 HydrophobicContact CG-CG1 3.92Å; P248-A330 HydrophobicContact CB-CB 3.97Å; P248-D332 HydrophobicContact CG-CB 4.22Å; P248-A340 WeakPolarHBondContact O-CB 3.23Å
249A96.3Very high96.4Very high50 Ų5056.3 Ų56.341%0.41331%0.314SS..EExtended strand (participates in β ladder)trans-108.1118.4-176.200000112.4V247 A274 T275V247-A249 PolarHBondContact O-N 3.13Å; A249-A274 CarbonylContact O-C 3.6Å; A249-A274 VanDerWaalsContact O-CA 3.3Å; A249-A274 WeakPolarHBondContact O-CA 3.42Å; A249-T275 PolarHBondContact N-O 3.48Å; A249-T275 PolarHBondContact O-N 3.18Å; A249-T275 PolarHBondContact O-OG1 3.38Å
250F97Very high96.4Very high30 Ų3053.7 Ų53.713%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-76.2144.3167.2-67.4-77.9000110.9Q252 A274 Y287 V328 A330 A340 C342F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 2.96Å; F250-A274 HydrophobicContact CD1-CB 4Å; F250-A274 HydrophobicContact CE1-CB 3.96Å; F250-A274 HydrophobicContact CG-CB 4.38Å; F250-A274 HydrophobicContact CZ-CB 4.29Å; F250-Y287 HydrophobicContact CE1-CD1 4.24Å; F250-Y287 HydrophobicContact CE1-CE1 4.03Å; F250-Y287 HydrophobicContact CZ-CD1 4.44Å; F250-V328 HydrophobicContact CZ-CG1 4.3Å; F250-A330 HydrophobicContact CE1-CB 4.18Å; F250-A330 HydrophobicContact CE2-CB 3.7Å; F250-A330 HydrophobicContact CZ-CB 3.4Å; F250-A330 VanDerWaalsContact CZ-CB 3.4Å; F250-A340 HydrophobicContact CD2-CB 4.43Å; F250-A340 HydrophobicContact CE2-CB 4.4Å; F250-C342 HydrophobicContact CB-CB 4.17Å; F250-C342 HydrophobicContact CD1-CB 4.08Å; F250-C342 HydrophobicContact CD2-CB 3.66Å; F250-C342 HydrophobicContact CE1-CB 4.36Å; F250-C342 WeakPolarHBondContact CE1-SG 3.44Å; F250-C342 HydrophobicContact CE2-CB 3.97Å; F250-C342 HydrophobicContact CG-CB 3.71Å; F250-C342 HydrophobicContact CZ-CB 4.3Å; F250-C342 VanDerWaalsContact CZ-SG 3.55Å
251D94Very high96.4Very high107 Ų10753.5 Ų53.557%0.57231%0.312SS*.SBendtrans-66.6-26.9177.970-72.5000113.2Y255D251-Y255 PolarHBondContact N-OH 2.83Å; D251-Y255 WeakPolarHBondContact OD1-CE1 3.38Å; D251-Y255 PolarHBondContact OD1-OH 3.23Å
252Q94.9Very high96.2Very high93 Ų9353.7 Ų53.744%0.43531%0.313SS..  trans-138.4142.5177.8-70.9165.476.800111.7F250 V254 Y255F250-Q252 VanDerWaalsContact C-N 3.26Å; F250-Q252 PolarHBondContact O-N 2.96Å; Q252-V254 VanDerWaalsContact C-N 3.33Å; Q252-Y255 HydrophobicContact CB-CD1 4.23Å; Q252-Y255 HydrophobicContact CB-CE1 3.8Å; Q252-Y255 HydrophobicContact CB-CE2 4.3Å; Q252-Y255 HydrophobicContact CG-CE1 4.39Å; Q252-Y255 PolarHBondContact N-OH 2.84Å; Q252-Y255 VanDerWaalsContact O-CE2 3.23Å; Q252-Y255 WeakPolarHBondContact O-CE2 3.32Å; Q252-Y255 PolarHBondContact O-OH 3.48Å
253P95.9Very high96.2Very high102 Ų10252.3 Ų52.366%0.66231%0.306SS*.SBendtrans-72.9-26.6175.430-35000112.6C342 K343P253-C342 WeakPolarHBondContact O-CA 3.5Å; P253-K343 PolarHBondContact O-N 3.24Å
254V97.5Very high96.3Very high66 Ų6655.3 Ų55.340%0.433%0.325SS..EExtended strand (participates in β ladder)trans-140.3122.4179.6-171.60000110.1Q252 K343 L345Q252-V254 VanDerWaalsContact C-N 3.33Å; V254-K343 CarbonylContact C-O 3.44Å; V254-K343 VanDerWaalsContact CA-O 3.24Å; V254-K343 WeakPolarHBondContact CA-O 3.15Å; V254-K343 HydrophobicContact CG1-CB 4.41Å; V254-K343 HydrophobicContact CG2-CB 4.35Å; V254-L345 HydrophobicContact CG1-CD1 3.88Å; V254-L345 HydrophobicContact CG1-CG 4.08Å
255Y97.7Very high96.3Very high15 Ų1557.3 Ų57.36%0.05934%0.34CS..EExtended strand (participates in β ladder)trans-100.2148.9170.5-54.3-93.9000109.3D251 Q252 I270 L272 C342 K343 V344 L345D251-Y255 PolarHBondContact N-OH 2.83Å; D251-Y255 WeakPolarHBondContact OD1-CE1 3.38Å; D251-Y255 PolarHBondContact OD1-OH 3.23Å; Q252-Y255 HydrophobicContact CB-CD1 4.23Å; Q252-Y255 HydrophobicContact CB-CE1 3.8Å; Q252-Y255 HydrophobicContact CB-CE2 4.3Å; Q252-Y255 HydrophobicContact CG-CE1 4.39Å; Q252-Y255 PolarHBondContact N-OH 2.84Å; Q252-Y255 VanDerWaalsContact O-CE2 3.23Å; Q252-Y255 WeakPolarHBondContact O-CE2 3.32Å; Q252-Y255 PolarHBondContact O-OH 3.48Å; Y255-I270 HydrophobicContact CD1-CD1 3.69Å; Y255-I270 HydrophobicContact CE1-CD1 4.49Å; Y255-I270 HydrophobicContact CG-CD1 3.85Å; Y255-L272 HydrophobicContact CD2-CD2 3.99Å; Y255-L272 HydrophobicContact CE2-CD2 3.91Å; Y255-L272 HydrophobicContact CG-CD2 4.5Å; Y255-C342 HydrophobicContact CD2-CB 4.5Å; Y255-C342 HydrophobicContact CE2-CB 3.96Å; Y255-K343 PolarHBondContact N-O 2.94Å; Y255-V344 HydrophobicContact CD2-CG2 4.33Å; Y255-L345 PolarHBondContact O-N 3Å
256T97.8Very high96.3Very high81 Ų8154 Ų5450%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-126.8128.6170.9-58.60000109.3L345 R347T256-L345 WeakPolarHBondContact CA-O 3.47Å; T256-L345 HydrophobicContact CG2-CB 4.41Å; T256-R347 HydrophobicContact CG2-CG 4.29Å
257V97.5Very high96.4Very high25 Ų2553.1 Ų53.115%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-127141178.3-177.60000107.8L259 V269 I270 V344 L345 V346 R347V257-L259 HydrophobicContact CG1-CD2 4.29Å; V257-L259 HydrophobicContact CG1-CG 4.16Å; V257-V269 HydrophobicContact CB-CG1 4.35Å; V257-V269 HydrophobicContact CG1-CG1 4.27Å; V257-V269 WeakPolarHBondContact CG1-O 3.36Å; V257-V269 HydrophobicContact CG2-CG1 4.43Å; V257-I270 HydrophobicContact CG2-CB 4.1Å; V257-I270 HydrophobicContact CG2-CD1 4.15Å; V257-V344 HydrophobicContact CG2-CG1 4.25Å; V257-L345 PolarHBondContact N-O 2.87Å; V257-V346 WeakPolarHBondContact O-CA 3.1Å; V257-R347 PolarHBondContact O-N 2.86Å
258S97.9Very high96.5Very high66 Ų6653.5 Ų53.546%0.46233%0.327SS..EExtended strand (participates in β ladder)trans-108.4132.1167.6-60.20000109.6R347S258-R347 VanDerWaalsContact CA-O 3.29Å; S258-R347 WeakPolarHBondContact CA-O 3.34Å
259L97.2Very high96.6Very high17 Ų1754 Ų549%0.08933%0.33CS..EExtended strand (participates in β ladder)trans-129.1144.2174.2-67176.7000108.8V257 T267 V269 V312 L316 V346 R347 V348 L349V257-L259 HydrophobicContact CG1-CD2 4.29Å; V257-L259 HydrophobicContact CG1-CG 4.16Å; L259-T267 HydrophobicContact CD2-CG2 4.43Å; L259-V269 HydrophobicContact CD1-CB 4.25Å; L259-V269 HydrophobicContact CD1-CG1 4.11Å; L259-V269 HydrophobicContact CD1-CG2 3.88Å; L259-V312 HydrophobicContact CD1-CG2 4.03Å; L259-L316 HydrophobicContact CB-CD1 4.46Å; L259-L316 HydrophobicContact CD1-CD1 4.23Å; L259-V346 HydrophobicContact CD1-CG1 4.1Å; L259-V346 HydrophobicContact CG-CG1 4.47Å; L259-R347 PolarHBondContact N-O 2.9Å; L259-V348 CarbonylContact O-C 3.54Å; L259-V348 WeakPolarHBondContact O-CA 3.31Å; L259-L349 PolarHBondContact O-N 3.27Å
260P96.2Very high96.6Very high70 Ų7053 Ų5346%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-62.4148.3165.830.2-32.8000109.6S263P260-S263 WeakPolarHBondContact O-CB 3.24Å; P260-S263 PolarHBondContact O-OG 2.82Å
261E96.8Very high96.6Very high5 Ų556.5 Ų56.52%0.02333%0.334CS..THydrogen-bonded Turntrans-61.3170.1160.174-171.812600111.5S263 L316 Y318 V348 L349 D350 A351E261-S263 PolarHBondContact O-N 3.17Å; E261-L316 WeakPolarHBondContact CB-O 3.34Å; E261-Y318 VanDerWaalsContact CD-CB 3.47Å; E261-Y318 WeakPolarHBondContact OE1-CB 3.27Å; E261-Y318 WeakPolarHBondContact OE2-CB 3.42Å; E261-Y318 PolarHBondContact OE2-N 2.97Å; E261-V348 HydrophobicContact CB-CG1 3.53Å; E261-L349 PolarHBondContact N-O 3.28Å; E261-D350 VanDerWaalsContact OE1-CA 3.25Å; E261-D350 WeakPolarHBondContact OE1-CA 3.25Å; E261-A351 HydrophobicContact CG-CB 3.82Å; E261-A351 PolarHBondContact OE1-N 2.93Å
262N94.1Very high96.8Very high79 Ų7951.5 Ų51.542%0.42231%0.308SS..THydrogen-bonded Turntrans54.219.3-171.1-64.7-64.4000113.7P264 L316 D353N262-P264 WeakPolarHBondContact O-CD 3.28Å; N262-L316 PolarHBondContact N-O 3.03Å; N262-D353 PolarHBondContact ND2-OD2 2.91Å
263S96.2Very high96.8Very high7 Ų751.5 Ų51.55%0.04931%0.311CS..PPolyproline II helixtrans-61.2118170.6-80.20000109.2P260 E261P260-S263 WeakPolarHBondContact O-CB 3.24Å; P260-S263 PolarHBondContact O-OG 2.82Å; E261-S263 PolarHBondContact O-N 3.17Å
264P96.5Very high96.8Very high82 Ų8246.9 Ų46.953%0.53228%0.281SS..PPolyproline II helixtrans-64.1145.5-170.323.9-33.7000111.8N262 G266 T267N262-P264 WeakPolarHBondContact O-CD 3.28Å; P264-G266 PolarHBondContact O-N 3.42Å; P264-T267 WeakPolarHBondContact CD-OG1 3.26Å; P264-T267 VanDerWaalsContact O-CB 3.25Å; P264-T267 WeakPolarHBondContact O-CB 3.3Å; P264-T267 PolarHBondContact O-N 2.86Å; P264-T267 PolarHBondContact O-OG1 3.39Å
265P96.1Very high96.7Very high71 Ų7147.7 Ų47.746%0.46129%0.286SS..THydrogen-bonded Turntrans-51.2134.1173.1-29.135.8000112.5V312 E315P265-V312 CarbonylContact C-O 3.53Å; P265-V312 WeakPolarHBondContact CA-O 3.44Å; P265-E315 WeakPolarHBondContact CD-OE1 3.2Å; P265-E315 WeakPolarHBondContact CG-OE1 3.36Å
266G95.7Very high96.7Very high39 Ų3948.1 Ų48.140%0.40229%0.29SS..THydrogen-bonded Turntrans94.1-4.5-168.300000114.8P264 L268 V312P264-G266 PolarHBondContact O-N 3.42Å; G266-L268 PolarHBondContact O-N 3.26Å; G266-V312 PolarHBondContact N-O 3.28Å
267T97.2Very high96.6Very high38 Ų3847.5 Ų47.523%0.23329%0.287CS..  trans-62.2129.1172.2-65.90000110.6L259 P264 V269 E311 V312L259-T267 HydrophobicContact CD2-CG2 4.43Å; P264-T267 WeakPolarHBondContact CD-OG1 3.26Å; P264-T267 VanDerWaalsContact O-CB 3.25Å; P264-T267 WeakPolarHBondContact O-CB 3.3Å; P264-T267 PolarHBondContact O-N 2.86Å; P264-T267 PolarHBondContact O-OG1 3.39Å; T267-V269 PolarHBondContact O-N 2.67Å; T267-E311 CarbonylContact O-C 3.54Å; T267-E311 VanDerWaalsContact O-CA 3.24Å; T267-E311 WeakPolarHBondContact O-CA 3.44Å; T267-V312 HydrophobicContact CG2-CG2 4.45Å; T267-V312 PolarHBondContact O-N 2.9Å
268L97.8Very high96.6Very high80 Ų8046.8 Ų46.842%0.41928%0.282SS..EExtended strand (participates in β ladder)trans-71.2118.3176.9176.759000110.4G266 R309G266-L268 PolarHBondContact O-N 3.26Å; L268-R309 HydrophobicContact CD1-CG 3.56Å
269V97.7Very high96.5Very high11 Ų1149 Ų497%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-79.8-59.4171.7-173.80000109.4V257 L259 T267 F301 L310 V312 V346V257-V269 HydrophobicContact CB-CG1 4.35Å; V257-V269 HydrophobicContact CG1-CG1 4.27Å; V257-V269 WeakPolarHBondContact CG1-O 3.36Å; V257-V269 HydrophobicContact CG2-CG1 4.43Å; L259-V269 HydrophobicContact CD1-CB 4.25Å; L259-V269 HydrophobicContact CD1-CG1 4.11Å; L259-V269 HydrophobicContact CD1-CG2 3.88Å; T267-V269 PolarHBondContact O-N 2.67Å; V269-F301 HydrophobicContact CG2-CD1 3.73Å; V269-F301 HydrophobicContact CG2-CE1 3.83Å; V269-L310 HydrophobicContact CB-CB 4.39Å; V269-L310 HydrophobicContact CB-CD2 4.18Å; V269-L310 HydrophobicContact CB-CG 4.11Å; V269-L310 WeakPolarHBondContact CB-O 3.24Å; V269-L310 HydrophobicContact CG1-CD2 4.08Å; V269-L310 HydrophobicContact CG2-CG 4.31Å; V269-L310 PolarHBondContact N-O 2.93Å; V269-V312 HydrophobicContact CG2-CG2 3.92Å; V269-V346 HydrophobicContact CG1-CG1 4.45Å; V269-V346 HydrophobicContact CG1-CG2 3.68Å
270I97.7Very high96.4Very high30 Ų3051 Ų5115%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-159.2148.7179.2-170.9164.6000110.1Y255 V257 L272 L310 V344Y255-I270 HydrophobicContact CD1-CD1 3.69Å; Y255-I270 HydrophobicContact CE1-CD1 4.49Å; Y255-I270 HydrophobicContact CG-CD1 3.85Å; V257-I270 HydrophobicContact CG2-CB 4.1Å; V257-I270 HydrophobicContact CG2-CD1 4.15Å; I270-L272 HydrophobicContact CD1-CD2 4.38Å; I270-L272 HydrophobicContact CG1-CD2 4.47Å; I270-L272 HydrophobicContact CG2-CD2 3.92Å; I270-L272 HydrophobicContact CG2-CG 4.12Å; I270-L310 HydrophobicContact CG2-CB 4.01Å; I270-L310 HydrophobicContact CG2-CD2 3.97Å; I270-L310 PolarHBondContact N-O 3.46Å; I270-L310 PolarHBondContact O-N 2.87Å; I270-V344 HydrophobicContact CG2-CG1 4.05Å; I270-V344 HydrophobicContact CG2-CG2 4.08Å
271Q97.4Very high96.4Very high102 Ų10254 Ų5448%0.47732%0.318SS..EExtended strand (participates in β ladder)trans-93.3103.1167.6179.652.767.800108T307Q271-T307 PolarHBondContact NE2-O 2.99Å
272L96.9Very high96.3Very high2 Ų254.8 Ų54.81%0.0132%0.322CS..  trans-75.1153.5175.9-62.6174.3000110.4Y255 I270 Y287 L303 G308 V328 V344Y255-L272 HydrophobicContact CD2-CD2 3.99Å; Y255-L272 HydrophobicContact CE2-CD2 3.91Å; Y255-L272 HydrophobicContact CG-CD2 4.5Å; I270-L272 HydrophobicContact CD1-CD2 4.38Å; I270-L272 HydrophobicContact CG1-CD2 4.47Å; I270-L272 HydrophobicContact CG2-CD2 3.92Å; I270-L272 HydrophobicContact CG2-CG 4.12Å; L272-Y287 HydrophobicContact CB-CE1 4.37Å; L272-L303 HydrophobicContact CD1-CD1 4.4Å; L272-G308 WeakPolarHBondContact CB-O 3.12Å; L272-G308 PolarHBondContact N-O 3.43Å; L272-V328 HydrophobicContact CD1-CB 4.08Å; L272-V328 HydrophobicContact CD1-CG1 3.76Å; L272-V328 HydrophobicContact CD1-CG2 3.86Å; L272-V344 HydrophobicContact CD1-CG2 4.4Å; L272-V344 HydrophobicContact CD2-CG2 3.92Å
273N95.1Very high96.3Very high94 Ų9452 Ų5250%0.50331%0.312SS..  trans-142.8120.7175.4-168.527.9000109
274A96.3Very high96.3Very high4 Ų454.8 Ų54.83%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-115.4125.4167.200000107.5P248 A249 F250 Y287 A330P248-A274 HydrophobicContact CB-CB 4.09Å; A249-A274 CarbonylContact O-C 3.6Å; A249-A274 VanDerWaalsContact O-CA 3.3Å; A249-A274 WeakPolarHBondContact O-CA 3.42Å; F250-A274 HydrophobicContact CD1-CB 4Å; F250-A274 HydrophobicContact CE1-CB 3.96Å; F250-A274 HydrophobicContact CG-CB 4.38Å; F250-A274 HydrophobicContact CZ-CB 4.29Å; A274-Y287 HydrophobicContact CB-CE1 3.84Å; A274-Y287 PolarHBondContact N-OH 2.73Å; A274-A330 HydrophobicContact CB-CB 3.51Å
275T95.8Very high96.3Very high84 Ų8452.2 Ų52.252%0.51531%0.307SS..EExtended strand (participates in β ladder)trans-100.4132.2179.754.10000110.2A249A249-T275 PolarHBondContact N-O 3.48Å; A249-T275 PolarHBondContact O-N 3.18Å; A249-T275 PolarHBondContact O-OG1 3.38Å
276D96.9Very high96.4Very high24 Ų2450.6 Ų50.613%0.12830%0.296CS..  trans-127.6127.6173.2-157.8-54.1000108.3P248 D278 V285P248-D276 WeakPolarHBondContact CA-OD2 3.39Å; P248-D276 WeakPolarHBondContact CD-OD2 3.46Å; P248-D276 VanDerWaalsContact CG-OD2 3.31Å; P248-D276 WeakPolarHBondContact CG-OD2 3.49Å; D276-D278 PolarHBondContact OD1-N 3.39Å; D276-V285 HydrophobicContact CB-CG1 3.71Å
277P96.3Very high96.5Very high68 Ų6849.2 Ų49.244%0.44228%0.278SS..  trans-86.6-11.6-17636.7-37.8000114.5R191 E192 N246R191-P277 PolarHBondContact NH2-O 2.86Å; E192-P277 HydrophobicContact CG-CB 3.83Å; E192-P277 HydrophobicContact CG-CG 4.06Å; N246-P277 HydrophobicContact CB-CG 3.67Å; N246-P277 VanDerWaalsContact CG-CG 3.49Å
278D96.9Very high96.5Very high10 Ų1049.5 Ų49.55%0.05328%0.282CS..SBendtrans-66.3165.7-174.1-65.7-3.3000112.6N244 D245 N246 D276 N282 G283N244-D278 VanDerWaalsContact CA-OD2 3.3Å; N244-D278 WeakPolarHBondContact CA-OD2 3.3Å; D245-D278 PolarHBondContact N-OD2 3.25Å; N246-D278 VanDerWaalsContact CB-OD1 3.22Å; N246-D278 WeakPolarHBondContact CB-OD1 3.22Å; N246-D278 PolarHBondContact N-OD2 2.94Å; N246-D278 PolarHBondContact ND2-OD1 2.97Å; D276-D278 PolarHBondContact OD1-N 3.39Å; D278-N282 HydrophobicContact CB-CB 3.53Å; D278-G283 VanDerWaalsContact O-CA 3.27Å; D278-G283 WeakPolarHBondContact O-CA 3.21Å; D278-G283 PolarHBondContact O-N 2.92Å
279E95.4Very high96.5Very high112 Ų11247.1 Ų47.152%0.52327%0.268SS..SBendtrans-85.5138.7-174.8-149.7169.4140.500114.1R191 D242 Q281 N282R191-E279 IonicContact CZ-OE2 2.68Å; R191-E279 IonicContact NH1-OE2 3.94Å; R191-E279 PolarHBondContact NH1-OE2 2.75Å; D242-E279 HydrophobicContact CB-CB 3.73Å; D242-E279 VanDerWaalsContact CG-CB 3.42Å; D242-E279 VanDerWaalsContact CG-N 3.31Å; D242-E279 VanDerWaalsContact OD1-CB 3.28Å; D242-E279 WeakPolarHBondContact OD1-CB 3.48Å; D242-E279 PolarHBondContact OD1-N 2.93Å; D242-E279 PolarHBondContact OD2-N 3.31Å; E279-Q281 PolarHBondContact O-N 3.21Å; E279-Q281 VanDerWaalsContact O-N 3.13Å; E279-N282 PolarHBondContact O-N 3.14Å; E279-N282 VanDerWaalsContact O-N 3.12Å
280G94.9Very high96.4Very high58 Ų5846.6 Ų46.660%0.59827%0.265SS*.THydrogen-bonded Turntrans63.4-115.5167.700000113.2N282 E284G280-N282 VanDerWaalsContact C-N 3.34Å; G280-E284 PolarHBondContact O-N 3.13Å
281Q95.8Very high96.2Very high134 Ų13450.1 Ų50.163%0.62629%0.293SS*.THydrogen-bonded Turntrans-75.5-24.6-179.4-72.317542.800112.7E279 E284 L333 G334E279-Q281 PolarHBondContact O-N 3.21Å; E279-Q281 VanDerWaalsContact O-N 3.13Å; Q281-E284 PolarHBondContact O-N 2.86Å; Q281-L333 HydrophobicContact CB-CB 4.24Å; Q281-L333 CarbonylContact O-C 3.57Å; Q281-L333 WeakPolarHBondContact O-CA 3.37Å; Q281-L333 WeakPolarHBondContact O-CB 3.11Å; Q281-L333 PolarHBondContact O-N 2.9Å; Q281-L333 VanDerWaalsContact O-N 3.1Å; Q281-G334 PolarHBondContact O-N 2.86Å
282N95.7Very high96.1Very high21 Ų2151.3 Ų51.311%0.11230%0.298CS..SBendtrans-71.5-37.2176.9-60.6-6.4000109.5D242 N244 D278 E279 G280 D332 G334 P335D242-N282 PolarHBondContact OD2-ND2 2.78Å; N244-N282 HydrophobicContact CB-CB 4.05Å; N244-N282 PolarHBondContact N-ND2 2.77Å; N244-N282 VanDerWaalsContact OD1-CA 3.29Å; N244-N282 WeakPolarHBondContact OD1-CA 3.26Å; N244-N282 VanDerWaalsContact OD1-CB 3.23Å; N244-N282 WeakPolarHBondContact OD1-CB 3.44Å; D278-N282 HydrophobicContact CB-CB 3.53Å; E279-N282 PolarHBondContact O-N 3.14Å; E279-N282 VanDerWaalsContact O-N 3.12Å; G280-N282 VanDerWaalsContact C-N 3.34Å; N282-D332 WeakPolarHBondContact O-CB 3.46Å; N282-G334 WeakPolarHBondContact OD1-CA 3.44Å; N282-P335 VanDerWaalsContact OD1-CD 3.26Å; N282-P335 WeakPolarHBondContact OD1-CD 3.48Å
283G94.8Very high96Very high21 Ų2151.9 Ų51.922%0.21630%0.301CS..SBendtrans-80.5-617000000116.4D278 V285D278-G283 VanDerWaalsContact O-CA 3.27Å; D278-G283 WeakPolarHBondContact O-CA 3.21Å; D278-G283 PolarHBondContact O-N 2.92Å; G283-V285 PolarHBondContact O-N 3.34Å
284E96.1Very high96.1Very high65 Ų6550 Ų5030%0.30430%0.295SS..  trans-84.897.9-176-168.7-179.5155.800111.4G280 Q281 R306 D332 L333G280-E284 PolarHBondContact O-N 3.13Å; Q281-E284 PolarHBondContact O-N 2.86Å; E284-R306 IonicContact OE1-CZ 3.86Å; E284-R306 IonicContact OE1-NH1 2.7Å; E284-R306 PolarHBondContact OE1-NH1 2.87Å; E284-R306 IonicContact OE1-NH2 3.68Å; E284-R306 PolarHBondContact OE1-NH2 3.27Å; E284-D332 WeakPolarHBondContact O-CA 3.31Å; E284-L333 HydrophobicContact CB-CD1 4.1Å; E284-L333 HydrophobicContact CB-CG 4.37Å; E284-L333 VanDerWaalsContact CD-CD1 3.48Å; E284-L333 HydrophobicContact CG-CD1 3.88Å; E284-L333 WeakPolarHBondContact O-CG 3.24Å; E284-L333 PolarHBondContact O-N 3.1Å
285V96.4Very high96Very high28 Ų2854.5 Ų54.517%0.1732%0.324CS..  trans-77.9135.7-178.7-570000113.7P248 D276 G283 Y287P248-V285 HydrophobicContact CB-CG1 3.84Å; P248-V285 HydrophobicContact CG-CG1 3.92Å; D276-V285 HydrophobicContact CB-CG1 3.71Å; G283-V285 PolarHBondContact O-N 3.34Å; V285-Y287 HydrophobicContact CG2-CE2 3.88Å
286V97.5Very high96Very high37 Ų3754.4 Ų54.422%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-120134.2167.7-670000112.3P305 A330 K331 L333V286-P305 WeakPolarHBondContact CA-O 3.46Å; V286-A330 WeakPolarHBondContact O-CA 3.44Å; V286-K331 VanDerWaalsContact CG2-O 3.23Å; V286-K331 WeakPolarHBondContact CG2-O 3.4Å; V286-K331 PolarHBondContact N-O 3.41Å; V286-K331 PolarHBondContact O-N 2.89Å; V286-L333 HydrophobicContact CG1-CD1 4.46Å; V286-L333 HydrophobicContact CG1-CD2 3.93Å; V286-L333 HydrophobicContact CG1-CG 4.3Å; V286-L333 HydrophobicContact CG2-CD2 3.84Å
287Y98Very high96Very high10 Ų1053.3 Ų53.34%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-97.8141.1-177.8-55.7-92.3000111.1F250 L272 A274 V285 P305 G308 Q329 A330F250-Y287 HydrophobicContact CE1-CD1 4.24Å; F250-Y287 HydrophobicContact CE1-CE1 4.03Å; F250-Y287 HydrophobicContact CZ-CD1 4.44Å; L272-Y287 HydrophobicContact CB-CE1 4.37Å; A274-Y287 HydrophobicContact CB-CE1 3.84Å; A274-Y287 PolarHBondContact N-OH 2.73Å; V285-Y287 HydrophobicContact CG2-CE2 3.88Å; Y287-P305 WeakPolarHBondContact CD2-O 3.21Å; Y287-P305 PolarHBondContact N-O 3.25Å; Y287-P305 WeakPolarHBondContact O-CA 3.43Å; Y287-P305 WeakPolarHBondContact O-CB 3.34Å; Y287-G308 VanDerWaalsContact CD2-CA 3.44Å; Y287-G308 VanDerWaalsContact CD2-N 3.34Å; Y287-Q329 WeakPolarHBondContact CA-O 3.38Å; Y287-A330 HydrophobicContact CD1-CB 4.15Å; Y287-A330 HydrophobicContact CE1-CB 4.24Å
288S97.8Very high96Very high44 Ų4455.8 Ų55.831%0.30831%0.309SS..EExtended strand (participates in β ladder)trans-153.4161.6174.753.20000112.2Q329S288-Q329 PolarHBondContact N-O 3.2Å; S288-Q329 PolarHBondContact O-N 2.78Å; S288-Q329 WeakPolarHBondContact OG-CG 3.36Å; S288-Q329 PolarHBondContact OG-NE2 3.1Å
289F97.9Very high96Very high30 Ų3060.8 Ų60.813%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-76.7124.9170.7-63.1-46.6000111I293 R298 F301 L303 L310 V326 V328F289-I293 HydrophobicContact CB-CB 4.5Å; F289-I293 HydrophobicContact CB-CD1 4.02Å; F289-I293 HydrophobicContact CB-CG2 4.07Å; F289-I293 HydrophobicContact CD1-CD1 3.59Å; F289-I293 HydrophobicContact CD2-CD1 4.07Å; F289-I293 HydrophobicContact CE1-CD1 3.99Å; F289-I293 HydrophobicContact CE2-CD1 4.42Å; F289-I293 HydrophobicContact CG-CD1 3.64Å; F289-I293 HydrophobicContact CZ-CD1 4.38Å; F289-R298 HydrophobicContact CD2-CG 4.25Å; F289-R298 PolarHBondContact O-NH2 2.87Å; F289-F301 WeakPolarHBondContact CE2-O 3.04Å; F289-F301 HydrophobicContact CZ-CB 4.21Å; F289-F301 WeakPolarHBondContact CZ-O 3.12Å; F289-L303 HydrophobicContact CD1-CB 4.25Å; F289-L303 HydrophobicContact CD1-CD2 3.92Å; F289-L303 HydrophobicContact CE1-CB 3.56Å; F289-L303 HydrophobicContact CE1-CD2 3.9Å; F289-L303 HydrophobicContact CE1-CG 4.37Å; F289-L303 HydrophobicContact CE2-CB 4.09Å; F289-L303 HydrophobicContact CZ-CB 3.46Å; F289-L303 VanDerWaalsContact CZ-CB 3.46Å; F289-L310 HydrophobicContact CE1-CD1 3.67Å; F289-L310 HydrophobicContact CZ-CD1 3.86Å; F289-V326 HydrophobicContact CD1-CG1 3.84Å; F289-V326 HydrophobicContact CE1-CG1 3.47Å; F289-V326 VanDerWaalsContact CE1-CG1 3.47Å; F289-V326 HydrophobicContact CZ-CG1 4.46Å; F289-V328 HydrophobicContact CD1-CG2 4.3Å; F289-V328 HydrophobicContact CE1-CG2 4.49Å
290S95.8Very high96.1Very high1 Ų155.5 Ų55.51%0.00731%0.307CS..  trans-59.1157.8172.2-171.20000110.8H292 I293 R298 Y327S290-H292 PolarHBondContact O-N 2.84Å; S290-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 PolarHBondContact OG-ND1 3.27Å; S290-H292 VanDerWaalsContact OG-ND1 3.08Å; S290-I293 WeakPolarHBondContact O-CG2 3.49Å; S290-I293 PolarHBondContact O-N 3.41Å; S290-R298 PolarHBondContact O-NH2 2.85Å; S290-Y327 PolarHBondContact N-O 2.9Å
291S93.2Very high96.2Very high104 Ų10452.8 Ų52.873%0.72728%0.279SS*.THydrogen-bonded Turntrans-61.9-15174.451.30000113.7I293S291-I293 VanDerWaalsContact C-N 3.34Å
292H94.2Very high96.3Very high127 Ų12747.6 Ų47.659%0.58826%0.262SS*.THydrogen-bonded Turntrans-80.1-7.5178.4-58.692.5000114.6S290 Y327S290-H292 PolarHBondContact O-N 2.84Å; S290-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 PolarHBondContact OG-ND1 3.27Å; S290-H292 VanDerWaalsContact OG-ND1 3.08Å; H292-Y327 HydrophobicContact CB-CD1 4.28Å; H292-Y327 HydrophobicContact CB-CD2 4.16Å; H292-Y327 HydrophobicContact CB-CG 3.95Å
293I96Very high96.4Very high14 Ų1447.7 Ų47.77%0.07226%0.262CS..SBendtrans-67.6143174.7-160.9169.8000110.7F289 S290 S291 A297 R298 V326F289-I293 HydrophobicContact CB-CB 4.5Å; F289-I293 HydrophobicContact CB-CD1 4.02Å; F289-I293 HydrophobicContact CB-CG2 4.07Å; F289-I293 HydrophobicContact CD1-CD1 3.59Å; F289-I293 HydrophobicContact CD2-CD1 4.07Å; F289-I293 HydrophobicContact CE1-CD1 3.99Å; F289-I293 HydrophobicContact CE2-CD1 4.42Å; F289-I293 HydrophobicContact CG-CD1 3.64Å; F289-I293 HydrophobicContact CZ-CD1 4.38Å; S290-I293 WeakPolarHBondContact O-CG2 3.49Å; S290-I293 PolarHBondContact O-N 3.41Å; S291-I293 VanDerWaalsContact C-N 3.34Å; I293-A297 HydrophobicContact CD1-CB 4.13Å; I293-A297 HydrophobicContact CG1-CB 3.8Å; I293-R298 HydrophobicContact CD1-CB 4.32Å; I293-R298 HydrophobicContact CG2-CB 4.13Å; I293-R298 VanDerWaalsContact CG2-NH2 3.25Å; I293-V326 HydrophobicContact CD1-CG1 3.93Å
294S95.8Very high96.6Very high54 Ų5448.7 Ų48.738%0.37827%0.266SS..  trans-70153.1170.967.20000111.1R296 A297 R298S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.42Å; S294-A297 PolarHBondContact O-N 3.5Å; S294-A297 VanDerWaalsContact OG-CB 3.3Å; S294-A297 WeakPolarHBondContact OG-CB 3.45Å; S294-A297 PolarHBondContact OG-N 3.32Å; S294-R298 PolarHBondContact O-N 2.8Å; S294-R298 VanDerWaalsContact O-N 3.08Å
295P95.5Very high96.6Very high98 Ų9849.4 Ų49.464%0.63628%0.276SS*.Hα-helixtrans-54.9-46174.1-26.535.3000112.1A297 R298 E299P295-A297 PolarHBondContact O-N 2.82Å; P295-R298 WeakPolarHBondContact O-CA 3.34Å; P295-R298 WeakPolarHBondContact O-CB 3.38Å; P295-R298 PolarHBondContact O-N 2.79Å; P295-E299 PolarHBondContact O-N 3.26Å
296R96Very high96.6Very high83 Ų8356.4 Ų56.431%0.31330%0.299SS..Hα-helixtrans-59.2-44.5178.7-168.164.6175.1130.76.9112.8S294 R298 E299 L300 E320 Y324S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.42Å; R296-R298 VanDerWaalsContact C-N 3.27Å; R296-R298 PolarHBondContact O-N 3.28Å; R296-E299 IonicContact NH1-OE2 3.7Å; R296-E299 PolarHBondContact O-N 2.76Å; R296-L300 HydrophobicContact CG-CD1 3.93Å; R296-L300 HydrophobicContact CG-CG 4.4Å; R296-L300 WeakPolarHBondContact O-CB 3.23Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.03Å; R296-E320 WeakPolarHBondContact CD-OE1 3.32Å; R296-E320 IonicContact CZ-OE1 3.29Å; R296-E320 IonicContact CZ-OE2 2.75Å; R296-E320 VanDerWaalsContact CZ-OE2 3.27Å; R296-E320 VanDerWaalsContact NE-CD 3.34Å; R296-E320 IonicContact NE-OE1 2.65Å; R296-E320 PolarHBondContact NE-OE1 2.91Å; R296-E320 IonicContact NE-OE2 3.56Å; R296-E320 PolarHBondContact NE-OE2 2.8Å; R296-E320 IonicContact NH2-OE1 3.43Å; R296-E320 IonicContact NH2-OE2 3.31Å; R296-E320 PolarHBondContact NH2-OE2 2.82Å; R296-Y324 HydrophobicContact CG-CE1 4.09Å
297A96.7Very high96.5Very high0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-68.9-24.7176.300000113.1I293 S294 P295 F301 Y324I293-A297 HydrophobicContact CD1-CB 4.13Å; I293-A297 HydrophobicContact CG1-CB 3.8Å; S294-A297 PolarHBondContact O-N 3.5Å; S294-A297 VanDerWaalsContact OG-CB 3.3Å; S294-A297 WeakPolarHBondContact OG-CB 3.45Å; S294-A297 PolarHBondContact OG-N 3.32Å; P295-A297 PolarHBondContact O-N 2.82Å; A297-F301 HydrophobicContact CB-CD2 4.34Å; A297-F301 WeakPolarHBondContact O-CD2 3.24Å; A297-F301 PolarHBondContact O-N 2.81Å; A297-Y324 HydrophobicContact CB-CD1 4.31Å
298R96.3Very high96.4Very high120 Ų12058 Ų5845%0.45331%0.31SS..Hα-helixtrans-76.1-24.5172.9-179-179.8-69-96.2-1.5112.8F289 S290 I293 S294 P295 R296F289-R298 HydrophobicContact CD2-CG 4.25Å; F289-R298 PolarHBondContact O-NH2 2.87Å; S290-R298 PolarHBondContact O-NH2 2.85Å; I293-R298 HydrophobicContact CD1-CB 4.32Å; I293-R298 HydrophobicContact CG2-CB 4.13Å; I293-R298 VanDerWaalsContact CG2-NH2 3.25Å; S294-R298 PolarHBondContact O-N 2.8Å; S294-R298 VanDerWaalsContact O-N 3.08Å; P295-R298 WeakPolarHBondContact O-CA 3.34Å; P295-R298 WeakPolarHBondContact O-CB 3.38Å; P295-R298 PolarHBondContact O-N 2.79Å; R296-R298 VanDerWaalsContact C-N 3.27Å; R296-R298 PolarHBondContact O-N 3.28Å
299E96.2Very high96.4Very high115 Ų11560 Ų6054%0.53731%0.311SS..Hα-helixtrans-81.7-42.9173.1-68.3163.9-17400111.6P295 R296 S313P295-E299 PolarHBondContact O-N 3.26Å; R296-E299 IonicContact NH1-OE2 3.7Å; R296-E299 PolarHBondContact O-N 2.76Å; E299-S313 PolarHBondContact O-OG 2.81Å
300L97.6Very high96.4Very high1 Ų158.6 Ų58.61%0.00531%0.305CS..Hα-helixtrans-79-19.8-175.6-68.4-179.2000114.9R296 S313 E315 L316 Y324R296-L300 HydrophobicContact CG-CD1 3.93Å; R296-L300 HydrophobicContact CG-CG 4.4Å; R296-L300 WeakPolarHBondContact O-CB 3.23Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.03Å; L300-S313 PolarHBondContact O-N 2.89Å; L300-S313 PolarHBondContact O-OG 3.15Å; L300-E315 WeakPolarHBondContact CD2-O 3.21Å; L300-L316 HydrophobicContact CB-CD2 4.27Å; L300-L316 HydrophobicContact CD1-CD2 4.2Å; L300-Y324 HydrophobicContact CD1-CD1 4.42Å; L300-Y324 HydrophobicContact CD1-CE1 3.67Å; L300-Y324 HydrophobicContact CD1-CE2 3.99Å; L300-Y324 VanDerWaalsContact CD1-CZ 3.4Å; L300-Y324 WeakPolarHBondContact CD1-OH 3.23Å
301F98.1Very high96.5Very high1 Ų160.1 Ų60.10%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-125131.3178.2-58.2-72.7000112.7V269 F289 A297 L310 E311 V312 S313 L316 Y324 V326 V346V269-F301 HydrophobicContact CG2-CD1 3.73Å; V269-F301 HydrophobicContact CG2-CE1 3.83Å; F289-F301 WeakPolarHBondContact CE2-O 3.04Å; F289-F301 HydrophobicContact CZ-CB 4.21Å; F289-F301 WeakPolarHBondContact CZ-O 3.12Å; A297-F301 HydrophobicContact CB-CD2 4.34Å; A297-F301 WeakPolarHBondContact O-CD2 3.24Å; A297-F301 PolarHBondContact O-N 2.81Å; F301-L310 HydrophobicContact CB-CD1 4.05Å; F301-E311 CarbonylContact C-O 3.54Å; F301-E311 VanDerWaalsContact CA-O 3.28Å; F301-E311 WeakPolarHBondContact CA-O 3.34Å; F301-V312 HydrophobicContact CE1-CG2 4.3Å; F301-S313 WeakPolarHBondContact CA-OG 3.42Å; F301-S313 PolarHBondContact N-OG 3.38Å; F301-S313 VanDerWaalsContact N-OG 3.16Å; F301-L316 HydrophobicContact CE1-CD1 4.42Å; F301-L316 HydrophobicContact CE1-CD2 4.06Å; F301-L316 HydrophobicContact CE2-CD2 4.43Å; F301-L316 HydrophobicContact CZ-CD2 3.69Å; F301-Y324 HydrophobicContact CE2-CD1 4.49Å; F301-Y324 HydrophobicContact CE2-CD2 4.25Å; F301-Y324 AromaticContact CE2-CG 3.87Å; F301-Y324 HydrophobicContact CE2-CG 3.87Å; F301-Y324 HydrophobicContact CZ-CD2 4.34Å; F301-Y324 HydrophobicContact CZ-CG 4.38Å; F301-V326 HydrophobicContact CD2-CG2 3.59Å; F301-V326 HydrophobicContact CE2-CG2 3.98Å; F301-V326 HydrophobicContact CG-CG2 4.11Å; F301-V346 HydrophobicContact CE1-CG1 4.18Å; F301-V346 HydrophobicContact CE1-CG2 4.13Å; F301-V346 HydrophobicContact CE2-CG2 4.48Å; F301-V346 HydrophobicContact CZ-CB 4Å; F301-V346 HydrophobicContact CZ-CG1 3.9Å; F301-V346 HydrophobicContact CZ-CG2 3.93Å
302G97.2Very high96.8Very high26 Ų2655.3 Ų55.327%0.26828%0.278SS..EExtended strand (participates in β ladder)trans-100.7132.517100000110.9L310 E311 S313G302-L310 WeakPolarHBondContact O-CA 3.46Å; G302-E311 PolarHBondContact N-O 3.27Å; G302-E311 PolarHBondContact O-N 3.26Å; G302-S313 PolarHBondContact N-OG 3.42Å
303L98.1Very high96.9Very high22 Ų2252 Ų5212%0.11527%0.269CS..EExtended strand (participates in β ladder)trans-118.3118.1176.3175.461.4000110L272 F289 P305 L310 V328L272-L303 HydrophobicContact CD1-CD1 4.4Å; F289-L303 HydrophobicContact CD1-CB 4.25Å; F289-L303 HydrophobicContact CD1-CD2 3.92Å; F289-L303 HydrophobicContact CE1-CB 3.56Å; F289-L303 HydrophobicContact CE1-CD2 3.9Å; F289-L303 HydrophobicContact CE1-CG 4.37Å; F289-L303 HydrophobicContact CE2-CB 4.09Å; F289-L303 HydrophobicContact CZ-CB 3.46Å; F289-L303 VanDerWaalsContact CZ-CB 3.46Å; L303-P305 VanDerWaalsContact O-CD 3.23Å; L303-P305 WeakPolarHBondContact O-CD 3.1Å; L303-L310 HydrophobicContact CB-CD1 3.96Å; L303-L310 HydrophobicContact CD1-CB 4.29Å; L303-L310 HydrophobicContact CD1-CD1 4.3Å; L303-V328 HydrophobicContact CD2-CG1 3.66Å; L303-V328 HydrophobicContact CD2-CG2 4.13Å
304S97.7Very high96.8Very high43 Ų4352.1 Ų52.130%0.30127%0.274SS..  trans-73.3111.5178-74.60000111.2R306 T307 G308 R309S304-R306 VanDerWaalsContact C-N 3.29Å; S304-R306 PolarHBondContact O-N 2.79Å; S304-R306 VanDerWaalsContact O-N 3.14Å; S304-T307 WeakPolarHBondContact CB-OG1 3.47Å; S304-T307 PolarHBondContact O-N 3.06Å; S304-G308 PolarHBondContact O-N 3.01Å; S304-R309 PolarHBondContact N-O 3.17Å
305P97.2Very high96.8Very high79 Ų7954.5 Ų54.551%0.51328%0.279SS..THydrogen-bonded Turntrans-66.1-23.7-165.8-26.136.6000115.9V286 Y287 L303V286-P305 WeakPolarHBondContact CA-O 3.46Å; Y287-P305 WeakPolarHBondContact CD2-O 3.21Å; Y287-P305 PolarHBondContact N-O 3.25Å; Y287-P305 WeakPolarHBondContact O-CA 3.43Å; Y287-P305 WeakPolarHBondContact O-CB 3.34Å; L303-P305 VanDerWaalsContact O-CD 3.23Å; L303-P305 WeakPolarHBondContact O-CD 3.1Å
306R95.4Very high96.9Very high176 Ų17649.9 Ų49.966%0.66425%0.249SC*.THydrogen-bonded Turntrans-96-23.4179.8-71.6-174.5160-74.6-4.3114.1E284 S304E284-R306 IonicContact OE1-CZ 3.86Å; E284-R306 IonicContact OE1-NH1 2.7Å; E284-R306 PolarHBondContact OE1-NH1 2.87Å; E284-R306 IonicContact OE1-NH2 3.68Å; E284-R306 PolarHBondContact OE1-NH2 3.27Å; S304-R306 VanDerWaalsContact C-N 3.29Å; S304-R306 PolarHBondContact O-N 2.79Å; S304-R306 VanDerWaalsContact O-N 3.14Å
307T95.8Very high96.9Very high79 Ų7949 Ų4949%0.48525%0.251SS..THydrogen-bonded Turntrans-106.5-18.8-175.359.80000113.1Q271 S304 R309Q271-T307 PolarHBondContact NE2-O 2.99Å; S304-T307 WeakPolarHBondContact CB-OG1 3.47Å; S304-T307 PolarHBondContact O-N 3.06Å; T307-R309 PolarHBondContact O-N 3.41Å; T307-R309 WeakPolarHBondContact OG1-CB 3.01Å; T307-R309 PolarHBondContact OG1-N 3.08Å
308G96Very high96.9Very high0 Ų051.4 Ų51.40%026%0.26CS..  trans72.38.8-173.300000113.9L272 Y287 S304 L310L272-G308 WeakPolarHBondContact CB-O 3.12Å; L272-G308 PolarHBondContact N-O 3.43Å; Y287-G308 VanDerWaalsContact CD2-CA 3.44Å; Y287-G308 VanDerWaalsContact CD2-N 3.34Å; S304-G308 PolarHBondContact O-N 3.01Å; G308-L310 PolarHBondContact O-N 3.35Å
309R97.9Very high97Very high87 Ų8748.8 Ų48.833%0.32825%0.253SS..EExtended strand (participates in β ladder)trans-73.2114.8177.8-163.2177173.8-118.5-10.6109.5L268 S304 T307 E311L268-R309 HydrophobicContact CD1-CG 3.56Å; S304-R309 PolarHBondContact N-O 3.17Å; T307-R309 PolarHBondContact O-N 3.41Å; T307-R309 WeakPolarHBondContact OG1-CB 3.01Å; T307-R309 PolarHBondContact OG1-N 3.08Å; R309-E311 WeakPolarHBondContact CD-OE1 3.36Å; R309-E311 HydrophobicContact CG-CG 4.05Å; R309-E311 WeakPolarHBondContact CG-OE1 3.3Å; R309-E311 IonicContact CZ-OE1 3.92Å; R309-E311 VanDerWaalsContact CZ-OE1 3.23Å; R309-E311 IonicContact CZ-OE2 2.91Å; R309-E311 VanDerWaalsContact CZ-OE2 3.31Å; R309-E311 IonicContact NE-OE1 3.01Å; R309-E311 PolarHBondContact NE-OE1 3.4Å; R309-E311 IonicContact NH1-OE1 2.73Å; R309-E311 PolarHBondContact NH1-OE1 2.97Å; R309-E311 IonicContact NH1-OE2 2.85Å; R309-E311 PolarHBondContact NH1-OE2 2.88Å; R309-E311 IonicContact NH2-OE2 3.77Å
310L98.2Very high96.9Very high0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-97.7124.5175-174.769.7000109.3V269 I270 F289 F301 G302 L303 G308 V326 V344V269-L310 HydrophobicContact CB-CB 4.39Å; V269-L310 HydrophobicContact CB-CD2 4.18Å; V269-L310 HydrophobicContact CB-CG 4.11Å; V269-L310 WeakPolarHBondContact CB-O 3.24Å; V269-L310 HydrophobicContact CG1-CD2 4.08Å; V269-L310 HydrophobicContact CG2-CG 4.31Å; V269-L310 PolarHBondContact N-O 2.93Å; I270-L310 HydrophobicContact CG2-CB 4.01Å; I270-L310 HydrophobicContact CG2-CD2 3.97Å; I270-L310 PolarHBondContact N-O 3.46Å; I270-L310 PolarHBondContact O-N 2.87Å; F289-L310 HydrophobicContact CE1-CD1 3.67Å; F289-L310 HydrophobicContact CZ-CD1 3.86Å; F301-L310 HydrophobicContact CB-CD1 4.05Å; G302-L310 WeakPolarHBondContact O-CA 3.46Å; L303-L310 HydrophobicContact CB-CD1 3.96Å; L303-L310 HydrophobicContact CD1-CB 4.29Å; L303-L310 HydrophobicContact CD1-CD1 4.3Å; G308-L310 PolarHBondContact O-N 3.35Å; L310-V326 HydrophobicContact CD1-CG1 4.19Å; L310-V326 HydrophobicContact CD2-CB 4.48Å; L310-V326 HydrophobicContact CD2-CG1 4.14Å; L310-V344 HydrophobicContact CD2-CB 4.22Å; L310-V344 HydrophobicContact CD2-CG1 4.23Å; L310-V344 HydrophobicContact CD2-CG2 4.12Å
311E98.2Very high96.8Very high34 Ų3449.2 Ų49.216%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-131.6155.6-171.8-66.9169.6-124.900111.1T267 F301 G302 R309T267-E311 CarbonylContact O-C 3.54Å; T267-E311 VanDerWaalsContact O-CA 3.24Å; T267-E311 WeakPolarHBondContact O-CA 3.44Å; F301-E311 CarbonylContact C-O 3.54Å; F301-E311 VanDerWaalsContact CA-O 3.28Å; F301-E311 WeakPolarHBondContact CA-O 3.34Å; G302-E311 PolarHBondContact N-O 3.27Å; G302-E311 PolarHBondContact O-N 3.26Å; R309-E311 WeakPolarHBondContact CD-OE1 3.36Å; R309-E311 HydrophobicContact CG-CG 4.05Å; R309-E311 WeakPolarHBondContact CG-OE1 3.3Å; R309-E311 IonicContact CZ-OE1 3.92Å; R309-E311 VanDerWaalsContact CZ-OE1 3.23Å; R309-E311 IonicContact CZ-OE2 2.91Å; R309-E311 VanDerWaalsContact CZ-OE2 3.31Å; R309-E311 IonicContact NE-OE1 3.01Å; R309-E311 PolarHBondContact NE-OE1 3.4Å; R309-E311 IonicContact NH1-OE1 2.73Å; R309-E311 PolarHBondContact NH1-OE1 2.97Å; R309-E311 IonicContact NH1-OE2 2.85Å; R309-E311 PolarHBondContact NH1-OE2 2.88Å; R309-E311 IonicContact NH2-OE2 3.77Å
312V98Very high96.8Very high2 Ų252.1 Ų52.11%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-71.3131.2169.4-179.30000109L259 P265 G266 T267 V269 F301 G314 L316L259-V312 HydrophobicContact CD1-CG2 4.03Å; P265-V312 CarbonylContact C-O 3.53Å; P265-V312 WeakPolarHBondContact CA-O 3.44Å; G266-V312 PolarHBondContact N-O 3.28Å; T267-V312 HydrophobicContact CG2-CG2 4.45Å; T267-V312 PolarHBondContact O-N 2.9Å; V269-V312 HydrophobicContact CG2-CG2 3.92Å; F301-V312 HydrophobicContact CE1-CG2 4.3Å; V312-G314 WeakPolarHBondContact CG1-O 3.33Å; V312-L316 HydrophobicContact CG1-CD1 4.48Å; V312-L316 HydrophobicContact CG1-CG 4.13Å; V312-L316 HydrophobicContact CG2-CD1 4.01Å
313S97Very high96.8Very high58 Ų5853.8 Ų53.841%0.40628%0.282SS..  trans-122.9-1.7179.555.50000114.7E299 L300 F301 G302E299-S313 PolarHBondContact O-OG 2.81Å; L300-S313 PolarHBondContact O-N 2.89Å; L300-S313 PolarHBondContact O-OG 3.15Å; F301-S313 WeakPolarHBondContact CA-OG 3.42Å; F301-S313 PolarHBondContact N-OG 3.38Å; F301-S313 VanDerWaalsContact N-OG 3.16Å; G302-S313 PolarHBondContact N-OG 3.42Å
314G94.7Very high96.7Very high17 Ų1753.1 Ų53.118%0.17528%0.278CS..SBendtrans-153.9172.5170.100000110.2V312 L316V312-G314 WeakPolarHBondContact CG1-O 3.33Å; G314-L316 PolarHBondContact O-N 3.2Å
315E95.2Very high96.7Very high103 Ų10355.3 Ų55.348%0.48128%0.283SS..  trans-64.9128.5-176.2-53.6-48.5133.800111.7P265 L300P265-E315 WeakPolarHBondContact CD-OE1 3.2Å; P265-E315 WeakPolarHBondContact CG-OE1 3.36Å; L300-E315 WeakPolarHBondContact CD2-O 3.21Å
316L96.7Very high96.7Very high1 Ų151.5 Ų51.51%0.00526%0.259CS..  trans-86.3128.4169.2-60.6-177.9000108.3L259 E261 N262 L300 F301 V312 G314 Y324L259-L316 HydrophobicContact CB-CD1 4.46Å; L259-L316 HydrophobicContact CD1-CD1 4.23Å; E261-L316 WeakPolarHBondContact CB-O 3.34Å; N262-L316 PolarHBondContact N-O 3.03Å; L300-L316 HydrophobicContact CB-CD2 4.27Å; L300-L316 HydrophobicContact CD1-CD2 4.2Å; F301-L316 HydrophobicContact CE1-CD1 4.42Å; F301-L316 HydrophobicContact CE1-CD2 4.06Å; F301-L316 HydrophobicContact CE2-CD2 4.43Å; F301-L316 HydrophobicContact CZ-CD2 3.69Å; V312-L316 HydrophobicContact CG1-CD1 4.48Å; V312-L316 HydrophobicContact CG1-CG 4.13Å; V312-L316 HydrophobicContact CG2-CD1 4.01Å; G314-L316 PolarHBondContact O-N 3.2Å; L316-Y324 HydrophobicContact CD2-CE2 4.36Å
317D97Very high96.8Very high66 Ų6646.8 Ų46.835%0.35324%0.242SC..  trans-128120.9-175.9170.1-27.6000106.5E319 E320 S321D317-E319 WeakPolarHBondContact OD1-CB 3.16Å; D317-E319 PolarHBondContact OD1-N 3.33Å; D317-E319 VanDerWaalsContact OD1-N 3.11Å; D317-E320 HydrophobicContact CB-CB 4.1Å; D317-E320 PolarHBondContact OD1-N 2.95Å; D317-S321 PolarHBondContact O-N 2.78Å
318Y97.6Very high96.9Very high50 Ų5043 Ų4320%0.19622%0.218CC..THydrogen-bonded Turntrans-73.9-41.4-176.6-178.8-87.6000111.4E261 E320 S321 P322 V348 D350 S387E261-Y318 VanDerWaalsContact CD-CB 3.47Å; E261-Y318 WeakPolarHBondContact OE1-CB 3.27Å; E261-Y318 WeakPolarHBondContact OE2-CB 3.42Å; E261-Y318 PolarHBondContact OE2-N 2.97Å; Y318-E320 VanDerWaalsContact C-N 3.28Å; Y318-E320 PolarHBondContact O-N 2.83Å; Y318-S321 CarbonylContact O-C 3.51Å; Y318-S321 PolarHBondContact O-N 3.23Å; Y318-P322 HydrophobicContact CD2-CB 3.77Å; Y318-P322 HydrophobicContact CE1-CB 4.33Å; Y318-P322 HydrophobicContact CE2-CB 3.46Å; Y318-P322 VanDerWaalsContact CE2-CB 3.46Å; Y318-P322 HydrophobicContact CG-CB 4.36Å; Y318-V348 HydrophobicContact CD2-CB 4.09Å; Y318-V348 HydrophobicContact CD2-CG1 4.1Å; Y318-V348 WeakPolarHBondContact CD2-O 3.45Å; Y318-V348 WeakPolarHBondContact CE2-O 3.4Å; Y318-D350 HydrophobicContact CD1-CB 4.07Å; Y318-D350 WeakPolarHBondContact CD1-OD1 3.05Å; Y318-D350 HydrophobicContact CD2-CB 3.98Å; Y318-D350 HydrophobicContact CE1-CB 4.07Å; Y318-D350 WeakPolarHBondContact CE1-OD1 3.18Å; Y318-D350 HydrophobicContact CE2-CB 3.93Å; Y318-D350 HydrophobicContact CG-CB 4.04Å; Y318-S387 WeakPolarHBondContact CE1-OG 3.18Å
319E96.9Very high97Very high65 Ų6545.3 Ų45.330%0.30423%0.229SC..THydrogen-bonded Turntrans-59.6-34.7175.9-78.251.1-115.700112.3D317 R385D317-E319 WeakPolarHBondContact OD1-CB 3.16Å; D317-E319 PolarHBondContact OD1-N 3.33Å; D317-E319 VanDerWaalsContact OD1-N 3.11Å; E319-R385 HydrophobicContact CG-CB 3.82Å
320E95.1Very high97Very high95 Ų9541.1 Ų41.144%0.44421%0.213SC..THydrogen-bonded Turntrans-69.9-51.5172.6-168.6-166.315800110.8R296 D317 Y318R296-E320 WeakPolarHBondContact CD-OE1 3.32Å; R296-E320 IonicContact CZ-OE1 3.29Å; R296-E320 IonicContact CZ-OE2 2.75Å; R296-E320 VanDerWaalsContact CZ-OE2 3.27Å; R296-E320 VanDerWaalsContact NE-CD 3.34Å; R296-E320 IonicContact NE-OE1 2.65Å; R296-E320 PolarHBondContact NE-OE1 2.91Å; R296-E320 IonicContact NE-OE2 3.56Å; R296-E320 PolarHBondContact NE-OE2 2.8Å; R296-E320 IonicContact NH2-OE1 3.43Å; R296-E320 IonicContact NH2-OE2 3.31Å; R296-E320 PolarHBondContact NH2-OE2 2.82Å; D317-E320 HydrophobicContact CB-CB 4.1Å; D317-E320 PolarHBondContact OD1-N 2.95Å; Y318-E320 VanDerWaalsContact C-N 3.28Å; Y318-E320 PolarHBondContact O-N 2.83Å
321S96Very high96.9Very high30 Ų3045.1 Ų45.121%0.2123%0.231CC..  trans-164.8113.8178.9170.10000113.6D317 Y318 V323 Y324D317-S321 PolarHBondContact O-N 2.78Å; Y318-S321 CarbonylContact O-C 3.51Å; Y318-S321 PolarHBondContact O-N 3.23Å; S321-V323 PolarHBondContact O-N 3.14Å; S321-V323 VanDerWaalsContact O-N 3.09Å; S321-V323 PolarHBondContact OG-O 2.96Å; S321-Y324 VanDerWaalsContact O-CE2 3.31Å; S321-Y324 WeakPolarHBondContact O-CE2 3.35Å
322P96.6Very high96.9Very high62 Ų6243.6 Ų43.640%0.40322%0.224SC..SBendtrans-73.8-5.5-177.331.2-38.3000114.1Y318 V348Y318-P322 HydrophobicContact CD2-CB 3.77Å; Y318-P322 HydrophobicContact CE1-CB 4.33Å; Y318-P322 HydrophobicContact CE2-CB 3.46Å; Y318-P322 VanDerWaalsContact CE2-CB 3.46Å; Y318-P322 HydrophobicContact CG-CB 4.36Å; P322-V348 PolarHBondContact O-N 2.85Å
323V97.2Very high96.8Very high60 Ų6046.8 Ų46.836%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-149.3125.3178.361.70000113.3S321 V346S321-V323 PolarHBondContact O-N 3.14Å; S321-V323 VanDerWaalsContact O-N 3.09Å; S321-V323 PolarHBondContact OG-O 2.96Å; V323-V346 CarbonylContact C-O 3.59Å; V323-V346 WeakPolarHBondContact CA-O 3.42Å
324Y97.4Very high96.6Very high9 Ų944.7 Ų44.74%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-106.7146.4174.4-68.8-80.8000112.1R296 A297 L300 F301 L316 S321 V346 V348R296-Y324 HydrophobicContact CG-CE1 4.09Å; A297-Y324 HydrophobicContact CB-CD1 4.31Å; L300-Y324 HydrophobicContact CD1-CD1 4.42Å; L300-Y324 HydrophobicContact CD1-CE1 3.67Å; L300-Y324 HydrophobicContact CD1-CE2 3.99Å; L300-Y324 VanDerWaalsContact CD1-CZ 3.4Å; L300-Y324 WeakPolarHBondContact CD1-OH 3.23Å; F301-Y324 HydrophobicContact CE2-CD1 4.49Å; F301-Y324 HydrophobicContact CE2-CD2 4.25Å; F301-Y324 AromaticContact CE2-CG 3.87Å; F301-Y324 HydrophobicContact CE2-CG 3.87Å; F301-Y324 HydrophobicContact CZ-CD2 4.34Å; F301-Y324 HydrophobicContact CZ-CG 4.38Å; L316-Y324 HydrophobicContact CD2-CE2 4.36Å; S321-Y324 VanDerWaalsContact O-CE2 3.31Å; S321-Y324 WeakPolarHBondContact O-CE2 3.35Å; Y324-V346 PolarHBondContact N-O 3.08Å; Y324-V346 PolarHBondContact O-N 2.88Å; Y324-V348 HydrophobicContact CD2-CG2 3.96Å; Y324-V348 HydrophobicContact CE2-CG2 4.02Å
325Q97.1Very high96.5Very high88 Ų8848 Ų4841%0.41125%0.246SC..EExtended strand (participates in β ladder)trans-118.995.7-176.3-55.4-168.119.200109.6Y327 L345Q325-Y327 HydrophobicContact CB-CE2 4.17Å; Q325-L345 HydrophobicContact CG-CD2 3.87Å
326V97.6Very high96.4Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-92.7108.6-177.6-173.10000108.7F289 I293 F301 L310 V328 K343 V344 V346F289-V326 HydrophobicContact CD1-CG1 3.84Å; F289-V326 HydrophobicContact CE1-CG1 3.47Å; F289-V326 VanDerWaalsContact CE1-CG1 3.47Å; F289-V326 HydrophobicContact CZ-CG1 4.46Å; I293-V326 HydrophobicContact CD1-CG1 3.93Å; F301-V326 HydrophobicContact CD2-CG2 3.59Å; F301-V326 HydrophobicContact CE2-CG2 3.98Å; F301-V326 HydrophobicContact CG-CG2 4.11Å; L310-V326 HydrophobicContact CD1-CG1 4.19Å; L310-V326 HydrophobicContact CD2-CB 4.48Å; L310-V326 HydrophobicContact CD2-CG1 4.14Å; V326-V328 HydrophobicContact CG1-CG2 3.88Å; V326-K343 WeakPolarHBondContact O-CA 3.24Å; V326-V344 HydrophobicContact CB-CB 4.23Å; V326-V344 PolarHBondContact N-O 3.45Å; V326-V344 PolarHBondContact O-N 2.88Å; V326-V346 HydrophobicContact CG2-CG2 4.27Å
327Y97.7Very high96.3Very high77 Ų7751 Ų5130%0.30227%0.267SS..EExtended strand (participates in β ladder)trans-89.6113.1176-75.7-89.3000110S290 H292 Q325 K343S290-Y327 PolarHBondContact N-O 2.9Å; H292-Y327 HydrophobicContact CB-CD1 4.28Å; H292-Y327 HydrophobicContact CB-CD2 4.16Å; H292-Y327 HydrophobicContact CB-CG 3.95Å; Q325-Y327 HydrophobicContact CB-CE2 4.17Å; Y327-K343 HydrophobicContact CD1-CG 4.46Å; Y327-K343 HydrophobicContact CE1-CD 3.9Å; Y327-K343 HydrophobicContact CE1-CG 4.29Å; Y327-K343 HydrophobicContact CE2-CD 4.44Å; Y327-K343 PolarHBondContact OH-NZ 2.95Å
328V98Very high96.1Very high0 Ų051.8 Ų51.80%027%0.274CS..EExtended strand (participates in β ladder)trans-110.6143.9-177.5-177.80000109.6F250 L272 F289 L303 V326 H341 C342F250-V328 HydrophobicContact CZ-CG1 4.3Å; L272-V328 HydrophobicContact CD1-CB 4.08Å; L272-V328 HydrophobicContact CD1-CG1 3.76Å; L272-V328 HydrophobicContact CD1-CG2 3.86Å; F289-V328 HydrophobicContact CD1-CG2 4.3Å; F289-V328 HydrophobicContact CE1-CG2 4.49Å; L303-V328 HydrophobicContact CD2-CG1 3.66Å; L303-V328 HydrophobicContact CD2-CG2 4.13Å; V326-V328 HydrophobicContact CG1-CG2 3.88Å; V328-H341 WeakPolarHBondContact O-CA 3Å; V328-C342 PolarHBondContact N-O 2.71Å; V328-C342 PolarHBondContact O-N 2.71Å; V328-C342 VanDerWaalsContact O-O 3.07Å
329Q97.1Very high96Very high47 Ų4751.9 Ų51.922%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-122.5139.5169.868.7-169.522.500109.6Y287 S288 A340Y287-Q329 WeakPolarHBondContact CA-O 3.38Å; S288-Q329 PolarHBondContact N-O 3.2Å; S288-Q329 PolarHBondContact O-N 2.78Å; S288-Q329 WeakPolarHBondContact OG-CG 3.36Å; S288-Q329 PolarHBondContact OG-NE2 3.1Å; Q329-A340 CarbonylContact C-O 3.57Å; Q329-A340 WeakPolarHBondContact CA-O 3.29Å; Q329-A340 WeakPolarHBondContact CB-O 3.17Å
330A97.7Very high95.9Very high0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-108.6141.1166.800000108P248 F250 A274 V286 Y287 P339 A340P248-A330 HydrophobicContact CB-CB 3.97Å; F250-A330 HydrophobicContact CE1-CB 4.18Å; F250-A330 HydrophobicContact CE2-CB 3.7Å; F250-A330 HydrophobicContact CZ-CB 3.4Å; F250-A330 VanDerWaalsContact CZ-CB 3.4Å; A274-A330 HydrophobicContact CB-CB 3.51Å; V286-A330 WeakPolarHBondContact O-CA 3.44Å; Y287-A330 HydrophobicContact CD1-CB 4.15Å; Y287-A330 HydrophobicContact CE1-CB 4.24Å; A330-P339 CarbonylContact O-C 3.53Å; A330-P339 WeakPolarHBondContact O-CA 3.37Å; A330-A340 PolarHBondContact N-O 2.88Å; A330-A340 PolarHBondContact O-N 3.06Å
331K96.9Very high96Very high84 Ų8449.9 Ų49.937%0.36528%0.275SS..EExtended strand (participates in β ladder)trans-144.6136.4-179-169.4-173.9167.6173.60108.2V286 A337 P339V286-K331 VanDerWaalsContact CG2-O 3.23Å; V286-K331 WeakPolarHBondContact CG2-O 3.4Å; V286-K331 PolarHBondContact N-O 3.41Å; V286-K331 PolarHBondContact O-N 2.89Å; K331-A337 HydrophobicContact CD-CB 4.28Å; K331-A337 VanDerWaalsContact CE-O 3.24Å; K331-A337 WeakPolarHBondContact CE-O 3.23Å; K331-A337 HydrophobicContact CG-CB 4.12Å; K331-P339 HydrophobicContact CB-CB 4.3Å; K331-P339 HydrophobicContact CG-CB 4.33Å
332D96.8Very high96.1Very high2 Ų248.7 Ų48.71%0.01127%0.267CS..  trans-66.3173.3169.959.884.1000112.1N244 P248 N282 E284 G334 A337 V338N244-D332 PolarHBondContact OD1-OD1 2.77Å; P248-D332 HydrophobicContact CG-CB 4.22Å; N282-D332 WeakPolarHBondContact O-CB 3.46Å; E284-D332 WeakPolarHBondContact O-CA 3.31Å; D332-G334 WeakPolarHBondContact OD1-CA 3.24Å; D332-G334 PolarHBondContact OD1-N 3.02Å; D332-A337 WeakPolarHBondContact OD1-CA 3.25Å; D332-A337 WeakPolarHBondContact OD1-CB 3.08Å; D332-A337 VanDerWaalsContact OD2-CA 3.31Å; D332-A337 WeakPolarHBondContact OD2-CA 3.47Å; D332-V338 PolarHBondContact OD2-N 2.95Å
333L95.9Very high96.1Very high69 Ų6947.6 Ų47.636%0.36126%0.255SS..SBendtrans-100.49.4173.3-63.6-178.1000113Q281 E284 V286Q281-L333 HydrophobicContact CB-CB 4.24Å; Q281-L333 CarbonylContact O-C 3.57Å; Q281-L333 WeakPolarHBondContact O-CA 3.37Å; Q281-L333 WeakPolarHBondContact O-CB 3.11Å; Q281-L333 PolarHBondContact O-N 2.9Å; Q281-L333 VanDerWaalsContact O-N 3.1Å; E284-L333 HydrophobicContact CB-CD1 4.1Å; E284-L333 HydrophobicContact CB-CG 4.37Å; E284-L333 VanDerWaalsContact CD-CD1 3.48Å; E284-L333 HydrophobicContact CG-CD1 3.88Å; E284-L333 WeakPolarHBondContact O-CG 3.24Å; E284-L333 PolarHBondContact O-N 3.1Å; V286-L333 HydrophobicContact CG1-CD1 4.46Å; V286-L333 HydrophobicContact CG1-CD2 3.93Å; V286-L333 HydrophobicContact CG1-CG 4.3Å; V286-L333 HydrophobicContact CG2-CD2 3.84Å
334G93.9Very high96.2Very high14 Ų1444.7 Ų44.714%0.14424%0.238CC..SBendtrans-78.2174.7-17500000115.2N244 Q281 N282 D332 A337N244-G334 WeakPolarHBondContact OD1-CA 3.41Å; Q281-G334 PolarHBondContact O-N 2.86Å; N282-G334 WeakPolarHBondContact OD1-CA 3.44Å; D332-G334 WeakPolarHBondContact OD1-CA 3.24Å; D332-G334 PolarHBondContact OD1-N 3.02Å; G334-A337 WeakPolarHBondContact O-CB 3.08Å
335P91.7Very high96.2Very high85 Ų8546 Ų4655%0.55225%0.246SC*.THydrogen-bonded Turntrans-73.8133170.530.9-31.2000110.3N282 A337N282-P335 VanDerWaalsContact OD1-CD 3.26Å; N282-P335 WeakPolarHBondContact OD1-CD 3.48Å; P335-A337 PolarHBondContact O-N 2.8Å
336N93.3Very high96.2Very high156 Ų15641.9 Ų41.983%0.83423%0.226SC*.THydrogen-bonded Turntrans70.52.4-176-44.8-61.8000116.4V338N336-V338 WeakPolarHBondContact O-CG2 3.42Å; N336-V338 PolarHBondContact O-N 3.11Å
337A94.5Very high96.3Very high13 Ų1348.3 Ų48.311%0.10725%0.25CS..  trans-14.7116.1166.400000117.3K331 D332 G334 P335K331-A337 HydrophobicContact CD-CB 4.28Å; K331-A337 VanDerWaalsContact CE-O 3.24Å; K331-A337 WeakPolarHBondContact CE-O 3.23Å; K331-A337 HydrophobicContact CG-CB 4.12Å; D332-A337 WeakPolarHBondContact OD1-CA 3.25Å; D332-A337 WeakPolarHBondContact OD1-CB 3.08Å; D332-A337 VanDerWaalsContact OD2-CA 3.31Å; D332-A337 WeakPolarHBondContact OD2-CA 3.47Å; G334-A337 WeakPolarHBondContact O-CB 3.08Å; P335-A337 PolarHBondContact O-N 2.8Å
338V93.5Very high96.3Very high81 Ų8144.9 Ų44.949%0.49124%0.237SC..  trans-109.3118.6-173.9-178.80000110.5V247 D332 N336 A340V247-V338 HydrophobicContact CG1-CB 3.8Å; V247-V338 HydrophobicContact CG1-CG1 4.33Å; V247-V338 HydrophobicContact CG1-CG2 4.41Å; D332-V338 PolarHBondContact OD2-N 2.95Å; N336-V338 WeakPolarHBondContact O-CG2 3.42Å; N336-V338 PolarHBondContact O-N 3.11Å; V338-A340 PolarHBondContact O-N 2.9Å
339P94.9Very high96.2Very high53 Ų5349 Ų4934%0.34426%0.259SS..  trans-75.9119.4-175.329.6-34.3000112.7A330 K331 H341A330-P339 CarbonylContact O-C 3.53Å; A330-P339 WeakPolarHBondContact O-CA 3.37Å; K331-P339 HydrophobicContact CB-CB 4.3Å; K331-P339 HydrophobicContact CG-CB 4.33Å; P339-H341 PolarHBondContact O-CE1 2.87Å; P339-H341 VanDerWaalsContact O-CE1 3.31Å; P339-H341 PolarHBondContact O-ND1 2.87Å
340A96.1Very high96.2Very high21 Ų2148.2 Ų48.217%0.17426%0.257CS..EExtended strand (participates in β ladder)trans-81.2159.5166.100000111.5P248 F250 Q329 A330 V338P248-A340 WeakPolarHBondContact O-CB 3.23Å; F250-A340 HydrophobicContact CD2-CB 4.43Å; F250-A340 HydrophobicContact CE2-CB 4.4Å; Q329-A340 CarbonylContact C-O 3.57Å; Q329-A340 WeakPolarHBondContact CA-O 3.29Å; Q329-A340 WeakPolarHBondContact CB-O 3.17Å; A330-A340 PolarHBondContact N-O 2.88Å; A330-A340 PolarHBondContact O-N 3.06Å; V338-A340 PolarHBondContact O-N 2.9Å
341H96.6Very high96.1Very high97 Ų9749.8 Ų49.845%0.44927%0.269SS..EExtended strand (participates in β ladder)trans-135.1141-169.5-7072.4000112V328 P339V328-H341 WeakPolarHBondContact O-CA 3Å; P339-H341 PolarHBondContact O-CE1 2.87Å; P339-H341 VanDerWaalsContact O-CE1 3.31Å; P339-H341 PolarHBondContact O-ND1 2.87Å
342C97.5Very high96.1Very high5 Ų547 Ų473%0.03426%0.258CS..EExtended strand (participates in β ladder)trans-139.7169.3166.774.20000111F250 P253 Y255 V328F250-C342 HydrophobicContact CB-CB 4.17Å; F250-C342 HydrophobicContact CD1-CB 4.08Å; F250-C342 HydrophobicContact CD2-CB 3.66Å; F250-C342 HydrophobicContact CE1-CB 4.36Å; F250-C342 WeakPolarHBondContact CE1-SG 3.44Å; F250-C342 HydrophobicContact CE2-CB 3.97Å; F250-C342 HydrophobicContact CG-CB 3.71Å; F250-C342 HydrophobicContact CZ-CB 4.3Å; F250-C342 VanDerWaalsContact CZ-SG 3.55Å; P253-C342 WeakPolarHBondContact O-CA 3.5Å; Y255-C342 HydrophobicContact CD2-CB 4.5Å; Y255-C342 HydrophobicContact CE2-CB 3.96Å; V328-C342 PolarHBondContact N-O 2.71Å; V328-C342 PolarHBondContact O-N 2.71Å; V328-C342 VanDerWaalsContact O-O 3.07Å
343K97.7Very high96.1Very high38 Ų3850.3 Ų50.317%0.16528%0.276CS..EExtended strand (participates in β ladder)trans-128.2126.8-179.5-176.6177.4-174.4169.80110.8P253 V254 Y255 V326 Y327 L345P253-K343 PolarHBondContact O-N 3.24Å; V254-K343 CarbonylContact C-O 3.44Å; V254-K343 VanDerWaalsContact CA-O 3.24Å; V254-K343 WeakPolarHBondContact CA-O 3.15Å; V254-K343 HydrophobicContact CG1-CB 4.41Å; V254-K343 HydrophobicContact CG2-CB 4.35Å; Y255-K343 PolarHBondContact N-O 2.94Å; V326-K343 WeakPolarHBondContact O-CA 3.24Å; Y327-K343 HydrophobicContact CD1-CG 4.46Å; Y327-K343 HydrophobicContact CE1-CD 3.9Å; Y327-K343 HydrophobicContact CE1-CG 4.29Å; Y327-K343 HydrophobicContact CE2-CD 4.44Å; Y327-K343 PolarHBondContact OH-NZ 2.95Å; K343-L345 HydrophobicContact CD-CD2 4.44Å
344V98Very high96.1Very high0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-100.5119.4169.2-170.50000108.6Y255 V257 I270 L272 L310 V326 V346Y255-V344 HydrophobicContact CD2-CG2 4.33Å; V257-V344 HydrophobicContact CG2-CG1 4.25Å; I270-V344 HydrophobicContact CG2-CG1 4.05Å; I270-V344 HydrophobicContact CG2-CG2 4.08Å; L272-V344 HydrophobicContact CD1-CG2 4.4Å; L272-V344 HydrophobicContact CD2-CG2 3.92Å; L310-V344 HydrophobicContact CD2-CB 4.22Å; L310-V344 HydrophobicContact CD2-CG1 4.23Å; L310-V344 HydrophobicContact CD2-CG2 4.12Å; V326-V344 HydrophobicContact CB-CB 4.23Å; V326-V344 PolarHBondContact N-O 3.45Å; V326-V344 PolarHBondContact O-N 2.88Å; V344-V346 HydrophobicContact CG1-CG2 4.05Å
345L97.9Very high96.2Very high37 Ų3750.3 Ų50.319%0.19428%0.28CS..EExtended strand (participates in β ladder)trans-91.3105.6169.1-70.2175.8000108.4V254 Y255 T256 V257 Q325 K343V254-L345 HydrophobicContact CG1-CD1 3.88Å; V254-L345 HydrophobicContact CG1-CG 4.08Å; Y255-L345 PolarHBondContact O-N 3Å; T256-L345 WeakPolarHBondContact CA-O 3.47Å; T256-L345 HydrophobicContact CG2-CB 4.41Å; V257-L345 PolarHBondContact N-O 2.87Å; Q325-L345 HydrophobicContact CG-CD2 3.87Å; K343-L345 HydrophobicContact CD-CD2 4.44Å
346V97.9Very high96.5Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-92.6111.4174.5-173.10000107.5V257 L259 V269 F301 V323 Y324 V326 V344V257-V346 WeakPolarHBondContact O-CA 3.1Å; L259-V346 HydrophobicContact CD1-CG1 4.1Å; L259-V346 HydrophobicContact CG-CG1 4.47Å; V269-V346 HydrophobicContact CG1-CG1 4.45Å; V269-V346 HydrophobicContact CG1-CG2 3.68Å; F301-V346 HydrophobicContact CE1-CG1 4.18Å; F301-V346 HydrophobicContact CE1-CG2 4.13Å; F301-V346 HydrophobicContact CE2-CG2 4.48Å; F301-V346 HydrophobicContact CZ-CB 4Å; F301-V346 HydrophobicContact CZ-CG1 3.9Å; F301-V346 HydrophobicContact CZ-CG2 3.93Å; V323-V346 CarbonylContact C-O 3.59Å; V323-V346 WeakPolarHBondContact CA-O 3.42Å; Y324-V346 PolarHBondContact N-O 3.08Å; Y324-V346 PolarHBondContact O-N 2.88Å; V326-V346 HydrophobicContact CG2-CG2 4.27Å; V344-V346 HydrophobicContact CG1-CG2 4.05Å
347R98Very high96.6Very high135 Ų13543.1 Ų43.151%0.50923%0.234SC..EExtended strand (participates in β ladder)trans-88.4121.4171.1-67175.9175.8-90.90.4107.8T256 V257 S258 L259T256-R347 HydrophobicContact CG2-CG 4.29Å; V257-R347 PolarHBondContact O-N 2.86Å; S258-R347 VanDerWaalsContact CA-O 3.29Å; S258-R347 WeakPolarHBondContact CA-O 3.34Å; L259-R347 PolarHBondContact N-O 2.9Å
348V97.6Very high96.7Very high5 Ų543 Ų433%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-80.5137.3171.2-171.10000107.2L259 E261 Y318 P322 Y324L259-V348 CarbonylContact O-C 3.54Å; L259-V348 WeakPolarHBondContact O-CA 3.31Å; E261-V348 HydrophobicContact CB-CG1 3.53Å; Y318-V348 HydrophobicContact CD2-CB 4.09Å; Y318-V348 HydrophobicContact CD2-CG1 4.1Å; Y318-V348 WeakPolarHBondContact CD2-O 3.45Å; Y318-V348 WeakPolarHBondContact CE2-O 3.4Å; P322-V348 PolarHBondContact O-N 2.85Å; Y324-V348 HydrophobicContact CD2-CG2 3.96Å; Y324-V348 HydrophobicContact CE2-CG2 4.02Å
349L96.8Very high96.7Very high87 Ų8742.1 Ų42.146%0.45523%0.228SC..EExtended strand (participates in β ladder)trans-103.3123.4172.5-55.1176000108.1L259 E261L259-L349 PolarHBondContact O-N 3.27Å; E261-L349 PolarHBondContact N-O 3.28Å
350D97.3Very high96.6Very high31 Ų3141.4 Ų41.417%0.16622%0.22CC..PPolyproline II helixtrans-51.5131.4172.4-173.1104.1000111.3E261 Y318 S387 N390E261-D350 VanDerWaalsContact OE1-CA 3.25Å; E261-D350 WeakPolarHBondContact OE1-CA 3.25Å; Y318-D350 HydrophobicContact CD1-CB 4.07Å; Y318-D350 WeakPolarHBondContact CD1-OD1 3.05Å; Y318-D350 HydrophobicContact CD2-CB 3.98Å; Y318-D350 HydrophobicContact CE1-CB 4.07Å; Y318-D350 WeakPolarHBondContact CE1-OD1 3.18Å; Y318-D350 HydrophobicContact CE2-CB 3.93Å; Y318-D350 HydrophobicContact CG-CB 4.04Å; D350-S387 WeakPolarHBondContact OD1-CA 2.97Å; D350-S387 WeakPolarHBondContact OD1-CB 3.47Å; D350-S387 PolarHBondContact OD1-N 3.11Å; D350-S387 PolarHBondContact OD2-N 2.76Å; D350-N390 PolarHBondContact OD2-ND2 2.99Å
351A95.6Very high96.1Very high33 Ų3344.3 Ų44.327%0.27324%0.239SC..  trans-130.4148.1176.400000109.2E261 D353E261-A351 HydrophobicContact CG-CB 3.82Å; E261-A351 PolarHBondContact OE1-N 2.93Å; A351-D353 PolarHBondContact O-N 2.63Å
352N96.7Very high95.5Very high25 Ų2543.1 Ų43.113%0.13424%0.239CC..SBendtrans-75.283.9-171.8-159.583.4000111.8D386 N390 D437 G439 P441 L443N352-D386 VanDerWaalsContact CA-OD2 3.23Å; N352-D386 WeakPolarHBondContact CA-OD2 3.49Å; N352-N390 HydrophobicContact CB-CB 4.07Å; N352-N390 PolarHBondContact N-ND2 2.74Å; N352-N390 WeakPolarHBondContact OD1-CA 3.34Å; N352-N390 WeakPolarHBondContact OD1-CB 3.4Å; N352-N390 PolarHBondContact OD1-OD1 3.44Å; N352-D437 PolarHBondContact ND2-OD2 2.76Å; N352-D437 PolarHBondContact OD1-OD2 3.36Å; N352-G439 WeakPolarHBondContact OD1-CA 3.04Å; N352-P441 PolarHBondContact ND2-O 2.69Å; N352-P441 VanDerWaalsContact ND2-O 3.13Å; N352-L443 WeakPolarHBondContact ND2-CG 3.36Å
353D96.4Very high95.1Very high71 Ų7145 Ų4538%0.3825%0.25SS..  trans-120.8-22.5-171.7103.4-21.1000114.4N262 A351 D386N262-D353 PolarHBondContact ND2-OD2 2.91Å; A351-D353 PolarHBondContact O-N 2.63Å; D353-D386 PolarHBondContact N-OD2 2.87Å; D353-D386 VanDerWaalsContact N-OD2 3.09Å
354N96.4Very high94.3Very high39 Ų3948.4 Ų48.421%0.20927%0.265CS..SBendtrans-92.1113.9170.6-61.9-89.3000110.7D384 R385 D386N354-D384 VanDerWaalsContact O-OD1 3.11Å; N354-R385 HydrophobicContact CB-CB 3.93Å; N354-R385 HydrophobicContact CB-CG 4.4Å; N354-D386 WeakPolarHBondContact CB-OD1 3.31Å; N354-D386 PolarHBondContact N-OD1 2.9Å; N354-D386 PolarHBondContact N-OD2 3.4Å; N354-D386 PolarHBondContact ND2-OD1 3.36Å
355A96.5Very high93.5Very high45 Ų4555.5 Ų55.537%0.37230%0.298SS..PPolyproline II helixtrans-69.9141.4172.400000111.5E357 L443A355-E357 PolarHBondContact O-N 2.95Å; A355-L443 HydrophobicContact CB-CB 3.93Å; A355-L443 HydrophobicContact CB-CD1 4.11Å
356P97.3Very high92.9Very high0 Ų056.2 Ų56.20%031%0.309CS..PPolyproline II helixtrans-60.8124.3-175.619.4-32.4000112.9T383 D384 V393 A435 T445P356-T383 CarbonylContact C-O 3.57Å; P356-D384 WeakPolarHBondContact CB-OD2 3.34Å; P356-V393 HydrophobicContact CB-CG1 3.96Å; P356-V393 HydrophobicContact CB-CG2 3.8Å; P356-V393 HydrophobicContact CG-CG1 4.49Å; P356-A435 HydrophobicContact CB-CB 4.04Å; P356-A435 HydrophobicContact CG-CB 4.13Å; P356-T445 WeakPolarHBondContact O-CB 3.4Å; P356-T445 PolarHBondContact O-OG1 3.45Å
357E96.1Very high92.7Very high90 Ų9056.7 Ų56.742%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-83.1135.6177.8-65.7-174.7-137.700111.9A355 V382 T383 R385A355-E357 PolarHBondContact O-N 2.95Å; E357-V382 VanDerWaalsContact O-CA 3.3Å; E357-V382 WeakPolarHBondContact O-CA 3.33Å; E357-T383 PolarHBondContact N-O 3.14Å; E357-T383 PolarHBondContact O-N 3.19Å; E357-R385 IonicContact OE1-CZ 3.23Å; E357-R385 IonicContact OE1-NE 3.55Å; E357-R385 PolarHBondContact OE1-NE 3Å; E357-R385 IonicContact OE1-NH2 2.67Å; E357-R385 PolarHBondContact OE1-NH2 3.37Å
358I95.9Very high92.5Very high9 Ų952.4 Ų52.45%0.04630%0.303CS..EExtended strand (participates in β ladder)trans-108.9119.5176.4-51.6-176.5000110.8F360 F380 V382 V433 A435 T445 K447I358-F360 HydrophobicContact CG2-CD2 4.46Å; I358-F360 HydrophobicContact CG2-CE2 4.11Å; I358-F380 HydrophobicContact CG2-CD2 4.01Å; I358-V382 HydrophobicContact CG1-CG1 4.18Å; I358-V433 HydrophobicContact CD1-CG2 3.91Å; I358-V433 HydrophobicContact CG2-CG2 3.95Å; I358-A435 HydrophobicContact CD1-CB 3.6Å; I358-A435 HydrophobicContact CG1-CB 3.64Å; I358-T445 HydrophobicContact CD1-CG2 4.28Å; I358-T445 WeakPolarHBondContact CD1-O 3.33Å; I358-T445 HydrophobicContact CG1-CG2 4.12Å; I358-K447 HydrophobicContact CB-CB 4.24Å; I358-K447 HydrophobicContact CB-CD 4.03Å; I358-K447 HydrophobicContact CD1-CB 4.17Å; I358-K447 HydrophobicContact CG2-CB 4.26Å; I358-K447 HydrophobicContact CG2-CD 4.19Å; I358-K447 VanDerWaalsContact O-CD 3.28Å; I358-K447 WeakPolarHBondContact O-CD 3.28Å; I358-K447 PolarHBondContact O-NZ 2.92Å
359S93.8Very high92.4Very high63 Ų6352.7 Ų52.744%0.44130%0.304SS..EExtended strand (participates in β ladder)trans-121116178.7-168.10000112.1F380 S381S359-F380 CarbonylContact O-C 3.59Å; S359-F380 VanDerWaalsContact O-CA 3.23Å; S359-F380 WeakPolarHBondContact O-CA 3.21Å; S359-F380 WeakPolarHBondContact O-CB 3.45Å; S359-S381 PolarHBondContact N-O 2.75Å; S359-S381 PolarHBondContact O-N 3.05Å
360F92.8Very high92.1Very high39 Ų3951.5 Ų51.517%0.17131%0.312CS..EExtended strand (participates in β ladder)trans-82.9117.7173.9-76.6-86.3000109.8I358 V363 A378 F380 I415 V433 K447 I449I358-F360 HydrophobicContact CG2-CD2 4.46Å; I358-F360 HydrophobicContact CG2-CE2 4.11Å; F360-V363 HydrophobicContact CB-CG2 3.94Å; F360-V363 HydrophobicContact CD1-CG2 3.72Å; F360-V363 HydrophobicContact CG-CG2 4.01Å; F360-A378 HydrophobicContact CD1-CB 4.3Å; F360-A378 HydrophobicContact CE1-CB 4.34Å; F360-F380 HydrophobicContact CD1-CB 3.69Å; F360-F380 HydrophobicContact CD1-CD1 4.43Å; F360-F380 HydrophobicContact CD1-CG 4.41Å; F360-F380 HydrophobicContact CE1-CB 3.94Å; F360-F380 AromaticContact CE1-CD1 3.91Å; F360-F380 HydrophobicContact CE1-CD1 3.91Å; F360-F380 HydrophobicContact CE1-CG 4.17Å; F360-F380 HydrophobicContact CG-CB 4.06Å; F360-F380 HydrophobicContact CZ-CD1 4.48Å; F360-I415 HydrophobicContact CE1-CD1 4.06Å; F360-V433 HydrophobicContact CE2-CG2 4Å; F360-V433 HydrophobicContact CZ-CG1 4.49Å; F360-V433 HydrophobicContact CZ-CG2 3.64Å; F360-K447 HydrophobicContact CD2-CD 4.11Å; F360-K447 HydrophobicContact CD2-CG 4.37Å; F360-K447 HydrophobicContact CE2-CB 4.17Å; F360-K447 HydrophobicContact CE2-CD 4.11Å; F360-K447 HydrophobicContact CE2-CG 3.97Å; F360-I449 HydrophobicContact CD1-CG2 4.1Å; F360-I449 HydrophobicContact CD2-CG2 3.95Å; F360-I449 HydrophobicContact CE1-CD1 3.86Å; F360-I449 HydrophobicContact CE1-CG1 4.4Å; F360-I449 HydrophobicContact CE1-CG2 3.83Å; F360-I449 HydrophobicContact CE2-CG2 3.66Å; F360-I449 HydrophobicContact CG-CG2 4.17Å; F360-I449 HydrophobicContact CZ-CD1 4.31Å; F360-I449 HydrophobicContact CZ-CG1 4.37Å; F360-I449 HydrophobicContact CZ-CG2 3.58Å
361S85.9Confident91.8Very high82 Ų8250.7 Ų50.757%0.57331%0.31SS*.EExtended strand (participates in β ladder)trans-79.7-33.6179-40.10000112.1L379S361-L379 PolarHBondContact N-O 2.91Å
362T83.5Confident91.7Very high72 Ų7252.2 Ų52.244%0.44232%0.323SS..EExtended strand (participates in β ladder)trans-158.5139.7173.3175.50000109.5A378 L379T362-A378 CarbonylContact O-C 3.59Å; T362-A378 VanDerWaalsContact O-CA 3.31Å; T362-A378 WeakPolarHBondContact O-CA 3.47Å; T362-L379 HydrophobicContact CG2-CB 3.85Å; T362-L379 HydrophobicContact CG2-CD1 3.72Å; T362-L379 HydrophobicContact CG2-CG 3.83Å; T362-L379 PolarHBondContact N-O 3.22Å; T362-L379 PolarHBondContact O-N 2.81Å
363V88.5Confident91.6Very high45 Ų4554.6 Ų54.627%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-129131.1171.4-178.50000105.5F360 A378 I449F360-V363 HydrophobicContact CB-CG2 3.94Å; F360-V363 HydrophobicContact CD1-CG2 3.72Å; F360-V363 HydrophobicContact CG-CG2 4.01Å; V363-A378 HydrophobicContact CB-CB 4.43Å; V363-A378 HydrophobicContact CG1-CB 4.41Å; V363-A378 HydrophobicContact CG2-CB 4.12Å; V363-I449 HydrophobicContact CG1-CB 4.35Å; V363-I449 HydrophobicContact CG1-CD1 3.93Å; V363-I449 HydrophobicContact CG2-CD1 4.3Å; V363-I449 HydrophobicContact CG2-CG2 4Å
364K81.7Confident91.3Very high109 Ų10952.8 Ų52.847%0.47434%0.338SS..  trans-84.3124.9165.2-66.5175.5179.7167.90107.8A366 V376 V377K364-A366 PolarHBondContact O-N 3.06Å; K364-V376 PolarHBondContact NZ-O 2.73Å; K364-V377 PolarHBondContact N-O 2.74Å
365E80.1Confident91.1Very high149 Ų14953.2 Ų53.270%0.69634%0.342SS*.SBendtrans-64.3-34.4177.3-59.699.9166.100111.7Q452E365-Q452 PolarHBondContact O-N 3.35Å
366A86Confident91Very high52 Ų5254 Ų5443%0.4334%0.342SS..EExtended strand (participates in β ladder)trans-117.1138.3-178.200000113.1K364 Q452K364-A366 PolarHBondContact O-N 3.06Å; A366-Q452 CarbonylContact C-O 3.51Å; A366-Q452 WeakPolarHBondContact CA-O 3.46Å
367V93.1Very high90.7Very high10 Ų1054.1 Ų54.16%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-127.1126.516963.40000109.9A371 V377 L421 V451 Q452 V453 S454V367-A371 HydrophobicContact CG2-CB 3.99Å; V367-V377 HydrophobicContact CG2-CG2 4.21Å; V367-L421 HydrophobicContact CG1-CD1 3.61Å; V367-L421 HydrophobicContact CG2-CD1 4.1Å; V367-V451 HydrophobicContact CB-CG1 4.31Å; V367-V451 HydrophobicContact CG1-CG1 3.52Å; V367-Q452 PolarHBondContact N-O 3.09Å; V367-V453 CarbonylContact O-C 3.54Å; V367-V453 VanDerWaalsContact O-CA 3.29Å; V367-V453 WeakPolarHBondContact O-CA 3.45Å; V367-S454 PolarHBondContact O-N 2.95Å
368S93.7Very high90.5Very high45 Ų4549.9 Ų49.932%0.31532%0.323SS..EExtended strand (participates in β ladder)trans-64.1139177.1172.80000111.3G370 A371 S454 V456S368-G370 VanDerWaalsContact C-N 3.27Å; S368-G370 PolarHBondContact O-N 3.19Å; S368-G370 PolarHBondContact OG-N 2.78Å; S368-A371 WeakPolarHBondContact O-CB 3.4Å; S368-A371 PolarHBondContact O-N 2.84Å; S368-S454 WeakPolarHBondContact CA-O 3.43Å; S368-S454 VanDerWaalsContact CA-OG 3.23Å; S368-S454 WeakPolarHBondContact CA-OG 3.25Å; S368-S454 PolarHBondContact N-OG 2.95Å; S368-V456 WeakPolarHBondContact OG-CG2 3.47Å
369E95.3Very high90.3Very high10 Ų1052.7 Ų52.75%0.04734%0.338CS..THydrogen-bonded Turntrans-62.4-36.9176.767.7-160.1116.200112.9A371 L421 R423 V453 S454 D455 V456E369-A371 PolarHBondContact O-N 3.13Å; E369-L421 HydrophobicContact CB-CB 4.3Å; E369-R423 HydrophobicContact CB-CB 4.49Å; E369-R423 VanDerWaalsContact OE2-CB 3.24Å; E369-R423 WeakPolarHBondContact OE2-CB 3.37Å; E369-R423 PolarHBondContact OE2-N 2.82Å; E369-V453 HydrophobicContact CB-CG1 3.69Å; E369-S454 PolarHBondContact N-O 3.32Å; E369-D455 VanDerWaalsContact OE1-CA 3.24Å; E369-D455 WeakPolarHBondContact OE1-CA 3.45Å; E369-V456 HydrophobicContact CG-CB 3.99Å; E369-V456 HydrophobicContact CG-CG2 3.98Å; E369-V456 PolarHBondContact OE1-N 3.33Å
370G91.2Very high90.3Very high62 Ų6249.7 Ų49.764%0.63932%0.317SS*.THydrogen-bonded Turntrans-65.54.2170.500000115S368 A372S368-G370 VanDerWaalsContact C-N 3.27Å; S368-G370 PolarHBondContact O-N 3.19Å; S368-G370 PolarHBondContact OG-N 2.78Å; G370-A372 PolarHBondContact O-N 2.84Å
371A91.8Very high90.4Very high15 Ų1548.8 Ų48.812%0.12432%0.315CS..PPolyproline II helixtrans-69.1118.8174.700000111.5V367 S368 E369 T375V367-A371 HydrophobicContact CG2-CB 3.99Å; S368-A371 WeakPolarHBondContact O-CB 3.4Å; S368-A371 PolarHBondContact O-N 2.84Å; E369-A371 PolarHBondContact O-N 3.13Å; A371-T375 HydrophobicContact CB-CG2 4.15Å
372A93Very high90.8Very high64 Ų6445 Ų4553%0.52929%0.288SS..PPolyproline II helixtrans-59.8149.4179.200000112.6G370 G374 T375 T417G370-A372 PolarHBondContact O-N 2.84Å; A372-G374 PolarHBondContact O-N 2.72Å; A372-T375 WeakPolarHBondContact O-CB 3.32Å; A372-T375 PolarHBondContact O-N 3.47Å; A372-T375 PolarHBondContact O-OG1 2.99Å; A372-T417 PolarHBondContact O-OG1 3.21Å; A372-T417 VanDerWaalsContact O-OG1 3.06Å
373P94Very high91.3Very high75 Ų7544.8 Ų44.849%0.48729%0.287SS..THydrogen-bonded Turntrans-50.5133.3172.5-30.536.6000113.2T417 P420P373-T417 WeakPolarHBondContact CA-OG1 3.41Å; P373-P420 HydrophobicContact CG-CG 4.22Å
374G91.1Very high91.7Very high33 Ų3343.9 Ų43.934%0.3428%0.281SS..THydrogen-bonded Turntrans93.24.6-174.900000114.9A372 T417A372-G374 PolarHBondContact O-N 2.72Å; G374-T417 WeakPolarHBondContact CA-O 3.4Å; G374-T417 PolarHBondContact N-O 3.09Å; G374-T417 PolarHBondContact N-OG1 3.34Å; G374-T417 VanDerWaalsContact N-OG1 3.11Å
375T92.8Very high92.4Very high48 Ų4845.7 Ų45.729%0.29429%0.285SS..  trans-68.8133.1175-64.60000110.5A371 A372 V416 T417A371-T375 HydrophobicContact CB-CG2 4.15Å; A372-T375 WeakPolarHBondContact O-CB 3.32Å; A372-T375 PolarHBondContact O-N 3.47Å; A372-T375 PolarHBondContact O-OG1 2.99Å; T375-V416 WeakPolarHBondContact O-CA 3.42Å; T375-T417 PolarHBondContact N-OG1 2.94Å; T375-T417 VanDerWaalsContact N-OG1 3.1Å; T375-T417 PolarHBondContact O-N 3.17Å; T375-T417 VanDerWaalsContact O-N 3.1Å
376V92.3Very high93.2Very high62 Ų6238.9 Ų38.938%0.37625%0.253SS..EExtended strand (participates in β ladder)trans-80.4123.3-179.3-176.40000111.2K364 L379 V416K364-V376 PolarHBondContact NZ-O 2.73Å; V376-L379 HydrophobicContact CG1-CD2 3.82Å; V376-L379 HydrophobicContact CG1-CG 4.35Å; V376-V416 HydrophobicContact CG2-CG1 3.98Å
377V92.7Very high93.5Very high3 Ų338.4 Ų38.42%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-101.3-45.9-179.6-1780000111.3K364 V367 F403 I415 T417 V451K364-V377 PolarHBondContact N-O 2.74Å; V367-V377 HydrophobicContact CG2-CG2 4.21Å; V377-F403 HydrophobicContact CG2-CD1 4.22Å; V377-F403 HydrophobicContact CG2-CE1 4Å; V377-I415 PolarHBondContact N-O 3.46Å; V377-T417 HydrophobicContact CG2-CG2 4.31Å; V377-V451 HydrophobicContact CG1-CB 4.45Å; V377-V451 HydrophobicContact CG1-CG1 3.77Å; V377-V451 HydrophobicContact CG1-CG2 3.76Å
378A91.8Very high93.5Very high1 Ų145.9 Ų45.91%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-144.2154.2-179.400000112.4F360 T362 V363 I415 I449F360-A378 HydrophobicContact CD1-CB 4.3Å; F360-A378 HydrophobicContact CE1-CB 4.34Å; T362-A378 CarbonylContact O-C 3.59Å; T362-A378 VanDerWaalsContact O-CA 3.31Å; T362-A378 WeakPolarHBondContact O-CA 3.47Å; V363-A378 HydrophobicContact CB-CB 4.43Å; V363-A378 HydrophobicContact CG1-CB 4.41Å; V363-A378 HydrophobicContact CG2-CB 4.12Å; A378-I415 HydrophobicContact CB-CB 4.27Å; A378-I415 HydrophobicContact CB-CD1 4.23Å; A378-I415 HydrophobicContact CB-CG1 4.36Å; A378-I415 PolarHBondContact O-N 3.02Å; A378-I449 HydrophobicContact CB-CD1 3.81Å
379L92.2Very high93.6Very high67 Ų6749.9 Ų49.935%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-121.7132.7173.1-59.6178.5000109S361 T362 V376 T414S361-L379 PolarHBondContact N-O 2.91Å; T362-L379 HydrophobicContact CG2-CB 3.85Å; T362-L379 HydrophobicContact CG2-CD1 3.72Å; T362-L379 HydrophobicContact CG2-CG 3.83Å; T362-L379 PolarHBondContact N-O 3.22Å; T362-L379 PolarHBondContact O-N 2.81Å; V376-L379 HydrophobicContact CG1-CD2 3.82Å; V376-L379 HydrophobicContact CG1-CG 4.35Å; L379-T414 HydrophobicContact CD2-CG2 3.39Å
380F93.4Very high93.6Very high1 Ų150.7 Ų50.70%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-141153174.170.3-87.2000112.3I358 S359 F360 V382 L405 Y413 I415 V433I358-F380 HydrophobicContact CG2-CD2 4.01Å; S359-F380 CarbonylContact O-C 3.59Å; S359-F380 VanDerWaalsContact O-CA 3.23Å; S359-F380 WeakPolarHBondContact O-CA 3.21Å; S359-F380 WeakPolarHBondContact O-CB 3.45Å; F360-F380 HydrophobicContact CD1-CB 3.69Å; F360-F380 HydrophobicContact CD1-CD1 4.43Å; F360-F380 HydrophobicContact CD1-CG 4.41Å; F360-F380 HydrophobicContact CE1-CB 3.94Å; F360-F380 AromaticContact CE1-CD1 3.91Å; F360-F380 HydrophobicContact CE1-CD1 3.91Å; F360-F380 HydrophobicContact CE1-CG 4.17Å; F360-F380 HydrophobicContact CG-CB 4.06Å; F360-F380 HydrophobicContact CZ-CD1 4.48Å; F380-V382 HydrophobicContact CD2-CG1 4.06Å; F380-V382 HydrophobicContact CE2-CG1 3.99Å; F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CZ-CD1 4.39Å; F380-L405 HydrophobicContact CZ-CD2 4.05Å; F380-Y413 HydrophobicContact CE1-CG 4.48Å; F380-Y413 AromaticContact CE2-CD2 3.98Å; F380-Y413 HydrophobicContact CE2-CD2 3.98Å; F380-Y413 AromaticContact CE2-CG 3.96Å; F380-Y413 HydrophobicContact CE2-CG 3.96Å; F380-Y413 HydrophobicContact CZ-CD1 4.49Å; F380-Y413 HydrophobicContact CZ-CD2 4.35Å; F380-Y413 AromaticContact CZ-CG 3.86Å; F380-Y413 HydrophobicContact CZ-CG 3.86Å; F380-Y413 PolarHBondContact N-O 2.95Å; F380-Y413 PolarHBondContact O-N 2.67Å; F380-I415 HydrophobicContact CD1-CD1 4.29Å; F380-I415 HydrophobicContact CD1-CG1 4.11Å; F380-I415 HydrophobicContact CE1-CD1 4.08Å; F380-I415 HydrophobicContact CE1-CG1 3.78Å; F380-V433 HydrophobicContact CE1-CG1 3.9Å; F380-V433 HydrophobicContact CZ-CB 4.28Å; F380-V433 HydrophobicContact CZ-CG1 3.87Å
381S93.5Very high93.6Very high19 Ų1948.3 Ų48.313%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-112.7151168.357.30000109.7S359 N411S359-S381 PolarHBondContact N-O 2.75Å; S359-S381 PolarHBondContact O-N 3.05Å; S381-N411 WeakPolarHBondContact CA-O 3.41Å
382V94.6Very high93.7Very high2 Ų250.5 Ų50.51%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-114.3142.9167.2-63.50000110.2E357 I358 F380 V393 C395 N411 Y413 A435E357-V382 VanDerWaalsContact O-CA 3.3Å; E357-V382 WeakPolarHBondContact O-CA 3.33Å; I358-V382 HydrophobicContact CG1-CG1 4.18Å; F380-V382 HydrophobicContact CD2-CG1 4.06Å; F380-V382 HydrophobicContact CE2-CG1 3.99Å; V382-V393 HydrophobicContact CB-CG1 4.14Å; V382-V393 HydrophobicContact CG2-CB 3.91Å; V382-V393 HydrophobicContact CG2-CG1 3.83Å; V382-V393 HydrophobicContact CG2-CG2 4.3Å; V382-C395 VanDerWaalsContact CG1-SG 3.54Å; V382-N411 HydrophobicContact CG2-CB 3.88Å; V382-N411 PolarHBondContact N-O 3.42Å; V382-N411 WeakPolarHBondContact O-CB 3.39Å; V382-Y413 HydrophobicContact CG2-CD2 4.44Å; V382-Y413 HydrophobicContact CG2-CE2 4.01Å; V382-A435 HydrophobicContact CG1-CB 4.04Å
383T94.7Very high93.8Very high68 Ų6848.1 Ų48.142%0.41726%0.261SS..EExtended strand (participates in β ladder)trans-133.4134.1176.7440000108.7P356 E357P356-T383 CarbonylContact C-O 3.57Å; E357-T383 PolarHBondContact N-O 3.14Å; E357-T383 PolarHBondContact O-N 3.19Å
384D96.3Very high93.8Very high26 Ų2648 Ų4814%0.13925%0.254CS..  trans-119.6146.4169.3-144.6-49.9000106.6N354 P356 V393N354-D384 VanDerWaalsContact O-OD1 3.11Å; P356-D384 WeakPolarHBondContact CB-OD2 3.34Å; D384-V393 HydrophobicContact CB-CG2 3.66Å
385R96.1Very high94Very high147 Ų14747.3 Ų47.356%0.55524%0.244SC*.  trans-97.1-34.8-175.4-58.5-172.2-171.8-175.86.5111.1E319 N354 E357E319-R385 HydrophobicContact CG-CB 3.82Å; N354-R385 HydrophobicContact CB-CB 3.93Å; N354-R385 HydrophobicContact CB-CG 4.4Å; E357-R385 IonicContact OE1-CZ 3.23Å; E357-R385 IonicContact OE1-NE 3.55Å; E357-R385 PolarHBondContact OE1-NE 3Å; E357-R385 IonicContact OE1-NH2 2.67Å; E357-R385 PolarHBondContact OE1-NH2 3.37Å
386D97Very high94.1Very high7 Ų751.1 Ų51.14%0.03726%0.258CS..SBendtrans-54.1163.3171.8-55.2-2.5000111.5N352 D353 N354 N390 G391N352-D386 VanDerWaalsContact CA-OD2 3.23Å; N352-D386 WeakPolarHBondContact CA-OD2 3.49Å; D353-D386 PolarHBondContact N-OD2 2.87Å; D353-D386 VanDerWaalsContact N-OD2 3.09Å; N354-D386 WeakPolarHBondContact CB-OD1 3.31Å; N354-D386 PolarHBondContact N-OD1 2.9Å; N354-D386 PolarHBondContact N-OD2 3.4Å; N354-D386 PolarHBondContact ND2-OD1 3.36Å; D386-N390 HydrophobicContact CB-CB 3.52Å; D386-G391 WeakPolarHBondContact O-CA 3.23Å
387S94Very high94.3Very high42 Ų4249.7 Ų49.729%0.29425%0.249SC..  trans-109.7-179-176.3-67.20000113.7Y318 D350 E389 N390 G391Y318-S387 WeakPolarHBondContact CE1-OG 3.18Å; D350-S387 WeakPolarHBondContact OD1-CA 2.97Å; D350-S387 WeakPolarHBondContact OD1-CB 3.47Å; D350-S387 PolarHBondContact OD1-N 3.11Å; D350-S387 PolarHBondContact OD2-N 2.76Å; S387-E389 PolarHBondContact O-N 2.79Å; S387-E389 VanDerWaalsContact O-N 3.1Å; S387-N390 WeakPolarHBondContact O-CB 3.14Å; S387-N390 PolarHBondContact O-N 2.96Å; S387-G391 PolarHBondContact O-N 2.73Å
388E92.8Very high94.3Very high166 Ų16653.8 Ų53.878%0.77627%0.27SS*.THydrogen-bonded Turntrans51-109.5175.9-55.1-158.8164.700115.6Q392E388-Q392 WeakPolarHBondContact O-CG 3.39Å; E388-Q392 PolarHBondContact O-NE2 3.38Å
389E94.7Very high94.1Very high129 Ų12956.6 Ų56.660%0.60330%0.299SS*.THydrogen-bonded Turntrans-92.4-29.9177.4-62.1-166.4158.100112.2S387 Q392 R438S387-E389 PolarHBondContact O-N 2.79Å; S387-E389 VanDerWaalsContact O-N 3.1Å; E389-Q392 WeakPolarHBondContact O-CB 3.35Å; E389-Q392 PolarHBondContact O-N 2.88Å; E389-Q392 VanDerWaalsContact O-N 3.14Å; E389-R438 WeakPolarHBondContact O-CB 3.16Å
390N94.9Very high93.9Very high27 Ų2762 Ų6214%0.14433%0.328CS..THydrogen-bonded Turntrans-59.7-49.6173.4-59.5-19.7000109.4D350 N352 D386 S387 Q392 D437 G439D350-N390 PolarHBondContact OD2-ND2 2.99Å; N352-N390 HydrophobicContact CB-CB 4.07Å; N352-N390 PolarHBondContact N-ND2 2.74Å; N352-N390 WeakPolarHBondContact OD1-CA 3.34Å; N352-N390 WeakPolarHBondContact OD1-CB 3.4Å; N352-N390 PolarHBondContact OD1-OD1 3.44Å; D386-N390 HydrophobicContact CB-CB 3.52Å; S387-N390 WeakPolarHBondContact O-CB 3.14Å; S387-N390 PolarHBondContact O-N 2.96Å; N390-Q392 PolarHBondContact O-N 3.14Å; N390-D437 VanDerWaalsContact O-CB 3.26Å; N390-D437 WeakPolarHBondContact O-CB 3.13Å; N390-G439 WeakPolarHBondContact OD1-CA 3.38Å
391G93Very high93.8Very high12 Ų1263.5 Ų63.512%0.12434%0.337CS..THydrogen-bonded Turntrans-67.49.1173.700000117.8D386 S387D386-G391 WeakPolarHBondContact O-CA 3.23Å; S387-G391 PolarHBondContact O-N 2.73Å
392Q94Very high93.9Very high61 Ų6163.8 Ų63.829%0.28534%0.339SS..  trans-103.289.5-177.6-79.3178.456.500113.9E388 E389 N390 D437 R438E388-Q392 WeakPolarHBondContact O-CG 3.39Å; E388-Q392 PolarHBondContact O-NE2 3.38Å; E389-Q392 WeakPolarHBondContact O-CB 3.35Å; E389-Q392 PolarHBondContact O-N 2.88Å; E389-Q392 VanDerWaalsContact O-N 3.14Å; N390-Q392 PolarHBondContact O-N 3.14Å; Q392-D437 CarbonylContact O-C 3.5Å; Q392-R438 HydrophobicContact CB-CB 4.48Å; Q392-R438 HydrophobicContact CB-CG 4.4Å; Q392-R438 WeakPolarHBondContact O-CG 3.22Å; Q392-R438 PolarHBondContact O-N 2.87Å
393V94.7Very high93.9Very high14 Ų1464 Ų649%0.08534%0.34CS..  trans-73.9132.7177.5-163.20000113.6P356 V382 D384 A435 R436P356-V393 HydrophobicContact CB-CG1 3.96Å; P356-V393 HydrophobicContact CB-CG2 3.8Å; P356-V393 HydrophobicContact CG-CG1 4.49Å; V382-V393 HydrophobicContact CB-CG1 4.14Å; V382-V393 HydrophobicContact CG2-CB 3.91Å; V382-V393 HydrophobicContact CG2-CG1 3.83Å; V382-V393 HydrophobicContact CG2-CG2 4.3Å; D384-V393 HydrophobicContact CB-CG2 3.66Å; V393-A435 HydrophobicContact CG1-CB 3.7Å; V393-R436 CarbonylContact C-O 3.6Å; V393-R436 WeakPolarHBondContact CA-O 3.46Å
394Q94.3Very high93.9Very high72 Ų7266.1 Ų66.134%0.33634%0.34SS..EExtended strand (participates in β ladder)trans-109.3142.1160.455.7-175.2200110.1R436Q394-R436 HydrophobicContact CG-CB 4.34Å; Q394-R436 VanDerWaalsContact CG-O 3.26Å; Q394-R436 WeakPolarHBondContact CG-O 3.09Å; Q394-R436 PolarHBondContact N-O 2.72Å; Q394-R436 PolarHBondContact O-N 2.71Å
395C95.5Very high93.8Very high20 Ų2066.5 Ų66.514%0.13534%0.342CS..EExtended strand (participates in β ladder)trans-121.2133.9-176.5-64.30000111.5V382 L405 Y413 V434V382-C395 VanDerWaalsContact CG1-SG 3.54Å; C395-L405 HydrophobicContact CB-CD1 4.14Å; C395-Y413 HydrophobicContact CB-CD1 4.27Å; C395-Y413 HydrophobicContact CB-CD2 4.43Å; C395-Y413 HydrophobicContact CB-CE1 3.85Å; C395-Y413 HydrophobicContact CB-CE2 4.04Å; C395-Y413 VanDerWaalsContact SG-CE2 3.53Å; C395-V434 WeakPolarHBondContact CA-O 3.02Å
396E94.7Very high93.6Very high127 Ų12764.1 Ų64.159%0.59334%0.335SS*.EExtended strand (participates in β ladder)trans-125.6157174.8-63.7-173.7168.800110.4V433 V434E396-V433 WeakPolarHBondContact O-CA 3.37Å; E396-V434 PolarHBondContact N-O 3Å; E396-V434 PolarHBondContact O-N 2.65Å
397L95.3Very high93.3Very high33 Ų3366.7 Ų66.717%0.17335%0.354CS..EExtended strand (participates in β ladder)trans-109.5124172.2-178.468.9000107.7V401 F403 L405 L431 V433L397-V401 HydrophobicContact CD2-CG2 3.89Å; L397-V401 HydrophobicContact CG-CG2 4.36Å; L397-F403 HydrophobicContact CD2-CB 4.03Å; L397-F403 WeakPolarHBondContact CD2-O 3.34Å; L397-L405 HydrophobicContact CB-CD1 4.22Å; L397-L405 HydrophobicContact CB-CD2 4.19Å; L397-L405 HydrophobicContact CB-CG 3.94Å; L397-L431 HydrophobicContact CD1-CB 4.13Å; L397-V433 HydrophobicContact CD1-CG1 3.82Å
398L93.1Very high92.4Very high89 Ų8968.8 Ų68.847%0.46637%0.369SS..EExtended strand (participates in β ladder)trans-83.4143.1178.7-68.4-178.4000111.7T432 V434L398-T432 HydrophobicContact CD1-CG2 4.23Å; L398-T432 PolarHBondContact N-O 2.89Å; L398-V434 HydrophobicContact CD1-CG2 3.51Å; L398-V434 HydrophobicContact CD2-CG2 4.38Å; L398-V434 HydrophobicContact CG-CG2 3.69Å
399G86.8Confident91.7Very high59 Ų5968.5 Ų68.561%0.60837%0.365SS*.SBendtrans102.2153.5177.300000113.1V401G399-V401 PolarHBondContact O-N 3.05Å
400D88Confident91.1Very high180 Ų18069.6 Ų69.696%0.96337%0.368SS*.SBendtrans-86.182.1168.9-168.126.1000107.8
401V92.3Very high90.7Very high33 Ų3369.8 Ų69.820%0.237%0.369CS..  trans-123.3151.1-171-65.30000110.4L397 G399 F403 Y429 L431L397-V401 HydrophobicContact CD2-CG2 3.89Å; L397-V401 HydrophobicContact CG-CG2 4.36Å; G399-V401 PolarHBondContact O-N 3.05Å; V401-F403 HydrophobicContact CB-CD2 4.19Å; V401-F403 HydrophobicContact CG2-CB 4.46Å; V401-F403 HydrophobicContact CG2-CD2 4.32Å; V401-F403 PolarHBondContact O-N 2.8Å; V401-Y429 HydrophobicContact CG1-CD1 4.3Å; V401-L431 HydrophobicContact CB-CD2 4.2Å; V401-L431 HydrophobicContact CG1-CD2 4.41Å; V401-L431 HydrophobicContact CG2-CD2 3.95Å
402P94.7Very high90.6Very high26 Ų2675.9 Ų75.917%0.16939%0.389CS..SBendtrans-75.533-175.532.1-37000113.9E418 A419 L421 Y429P402-E418 PolarHBondContact O-N 3.46Å; P402-A419 HydrophobicContact CB-CB 4.25Å; P402-L421 HydrophobicContact CB-CD2 3.88Å; P402-L421 HydrophobicContact CG-CD2 3.49Å; P402-L421 VanDerWaalsContact CG-CD2 3.49Å; P402-Y429 HydrophobicContact CG-CE1 4.02Å; P402-Y429 HydrophobicContact CG-CE2 4.12Å
403F95.2Very high90.5Very high7 Ų774.8 Ų74.83%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-132.1149.3-177.7-55.5-90.1000110.5V377 L397 V401 I415 V416 T417 L421 Y429 L431 V451V377-F403 HydrophobicContact CG2-CD1 4.22Å; V377-F403 HydrophobicContact CG2-CE1 4Å; L397-F403 HydrophobicContact CD2-CB 4.03Å; L397-F403 WeakPolarHBondContact CD2-O 3.34Å; V401-F403 HydrophobicContact CB-CD2 4.19Å; V401-F403 HydrophobicContact CG2-CB 4.46Å; V401-F403 HydrophobicContact CG2-CD2 4.32Å; V401-F403 PolarHBondContact O-N 2.8Å; F403-I415 HydrophobicContact CB-CG2 4.11Å; F403-I415 HydrophobicContact CD1-CG2 4.46Å; F403-V416 CarbonylContact C-O 3.56Å; F403-V416 WeakPolarHBondContact CA-O 3.26Å; F403-T417 HydrophobicContact CD1-CG2 4.2Å; F403-T417 HydrophobicContact CE1-CG2 3.95Å; F403-L421 HydrophobicContact CE1-CD1 4.25Å; F403-L421 HydrophobicContact CE1-CD2 4.5Å; F403-L421 HydrophobicContact CE2-CD2 4.42Å; F403-L421 HydrophobicContact CZ-CD1 4.12Å; F403-L421 HydrophobicContact CZ-CD2 4Å; F403-Y429 HydrophobicContact CE2-CD1 4.28Å; F403-Y429 AromaticContact CE2-CD2 3.68Å; F403-Y429 HydrophobicContact CE2-CD2 3.68Å; F403-Y429 HydrophobicContact CE2-CE2 4.25Å; F403-Y429 AromaticContact CE2-CG 3.69Å; F403-Y429 HydrophobicContact CE2-CG 3.69Å; F403-Y429 HydrophobicContact CZ-CD2 4.04Å; F403-Y429 HydrophobicContact CZ-CG 4.43Å; F403-L431 HydrophobicContact CB-CD1 4.29Å; F403-L431 HydrophobicContact CB-CD2 4.47Å; F403-L431 HydrophobicContact CD1-CD1 4.13Å; F403-L431 HydrophobicContact CD2-CD1 3.96Å; F403-L431 HydrophobicContact CD2-CD2 3.47Å; F403-L431 VanDerWaalsContact CD2-CD2 3.47Å; F403-L431 HydrophobicContact CD2-CG 4.35Å; F403-L431 HydrophobicContact CE1-CD1 4.47Å; F403-L431 HydrophobicContact CE2-CD1 4.31Å; F403-L431 HydrophobicContact CE2-CD2 3.9Å; F403-L431 HydrophobicContact CG-CD1 3.85Å; F403-L431 HydrophobicContact CG-CD2 4.11Å; F403-V451 HydrophobicContact CZ-CG1 4.44Å
404R94.5Very high90.4Very high111 Ų11175.2 Ų75.242%0.41939%0.386SS..EExtended strand (participates in β ladder)trans-137152.1179.462.7-178.1-63.7149.25.2112.4V416 E418R404-V416 HydrophobicContact CG-CG2 3.6Å; R404-V416 PolarHBondContact N-O 3.4Å; R404-V416 PolarHBondContact O-N 3.19Å; R404-E418 HydrophobicContact CB-CB 4.29Å; R404-E418 WeakPolarHBondContact CD-OE1 3.3Å; R404-E418 HydrophobicContact CG-CB 4.06Å; R404-E418 IonicContact CZ-OE1 2.72Å; R404-E418 IonicContact NE-OE1 2.72Å; R404-E418 IonicContact NH1-OE1 3.46Å; R404-E418 PolarHBondContact NH1-OE1 3.2Å
405L95.1Very high90.4Very high35 Ų3571.8 Ų71.818%0.18337%0.37CS..EExtended strand (participates in β ladder)trans-79.2138.6170.7-56.8-173.5000110.8F380 C395 L397 I415 V433F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CZ-CD1 4.39Å; F380-L405 HydrophobicContact CZ-CD2 4.05Å; C395-L405 HydrophobicContact CB-CD1 4.14Å; L397-L405 HydrophobicContact CB-CD1 4.22Å; L397-L405 HydrophobicContact CB-CD2 4.19Å; L397-L405 HydrophobicContact CB-CG 3.94Å; L405-I415 HydrophobicContact CD2-CD1 4.5Å; L405-I415 HydrophobicContact CD2-CG1 3.85Å; L405-V433 HydrophobicContact CD2-CG1 4.27Å
406K91.6Very high90.4Very high96 Ų9671 Ų7142%0.41736%0.364SS..EExtended strand (participates in β ladder)trans-131.2119.3163.1-72-178.3-177.2169.20109.3T414 V416K406-T414 WeakPolarHBondContact CB-OG1 3.35Å; K406-T414 PolarHBondContact N-O 3.05Å; K406-T414 PolarHBondContact O-N 3.18Å; K406-T414 PolarHBondContact O-OG1 3.36Å; K406-V416 HydrophobicContact CD-CG2 3.85Å; K406-V416 HydrophobicContact CG-CG2 4.1Å
407S89.5Confident90.4Very high61 Ų6165 Ų6543%0.42734%0.336SS..EExtended strand (participates in β ladder)trans-85.2140167.6177.60000110.1F409 Y412S407-F409 PolarHBondContact OG-O 3.38Å; S407-Y412 WeakPolarHBondContact CA-O 3.11Å; S407-Y412 PolarHBondContact OG-O 2.99Å
408S75.2Confident90.3Very high87 Ų8768.1 Ų68.161%0.60835%0.35SS*.EExtended strand (participates in β ladder)trans-112.8-26.5172.3-62.50000112.7Y412S408-Y412 PolarHBondContact N-O 3.38Å
409F78.7Confident90.3Very high159 Ų15965.7 Ų65.770%0.69734%0.343SS*.EExtended strand (participates in β ladder)trans-140.5156.3175.7-64.3-83.8000108.8S407 N411 Y412S407-F409 PolarHBondContact OG-O 3.38Å; F409-N411 PolarHBondContact O-N 2.97Å; F409-Y412 HydrophobicContact CB-CD2 4.47Å; F409-Y412 PolarHBondContact O-N 3.42Å
410K81.6Confident90.6Very high153 Ų15367.6 Ų67.667%0.66534%0.344SS*.THydrogen-bonded Turntrans-49.5128.9175.9-179.6179.7179.9-167.30109.1Y412K410-Y412 WeakPolarHBondContact O-CD2 3.26Å; K410-Y412 PolarHBondContact O-N 2.67Å
411N86.7Confident90.9Very high31 Ų3159.7 Ų59.717%0.16630%0.302CS..THydrogen-bonded Turntrans65.25.6179.2-61.114.5000116.9S381 V382 F409S381-N411 WeakPolarHBondContact CA-O 3.41Å; V382-N411 HydrophobicContact CG2-CB 3.88Å; V382-N411 PolarHBondContact N-O 3.42Å; V382-N411 WeakPolarHBondContact O-CB 3.39Å; F409-N411 PolarHBondContact O-N 2.97Å
412Y90.3Very high91.1Very high140 Ų14062 Ų6255%0.54931%0.313SS..EExtended strand (participates in β ladder)trans-114.3126.4173.2-72.4-95000111.3S407 S408 F409 K410S407-Y412 WeakPolarHBondContact CA-O 3.11Å; S407-Y412 PolarHBondContact OG-O 2.99Å; S408-Y412 PolarHBondContact N-O 3.38Å; F409-Y412 HydrophobicContact CB-CD2 4.47Å; F409-Y412 PolarHBondContact O-N 3.42Å; K410-Y412 WeakPolarHBondContact O-CD2 3.26Å; K410-Y412 PolarHBondContact O-N 2.67Å
413Y91.9Very high91.1Very high37 Ų3762.3 Ų62.315%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-128.4148-171.1-68.7-94.5000112.1F380 V382 C395F380-Y413 HydrophobicContact CE1-CG 4.48Å; F380-Y413 AromaticContact CE2-CD2 3.98Å; F380-Y413 HydrophobicContact CE2-CD2 3.98Å; F380-Y413 AromaticContact CE2-CG 3.96Å; F380-Y413 HydrophobicContact CE2-CG 3.96Å; F380-Y413 HydrophobicContact CZ-CD1 4.49Å; F380-Y413 HydrophobicContact CZ-CD2 4.35Å; F380-Y413 AromaticContact CZ-CG 3.86Å; F380-Y413 HydrophobicContact CZ-CG 3.86Å; F380-Y413 PolarHBondContact N-O 2.95Å; F380-Y413 PolarHBondContact O-N 2.67Å; V382-Y413 HydrophobicContact CG2-CD2 4.44Å; V382-Y413 HydrophobicContact CG2-CE2 4.01Å; C395-Y413 HydrophobicContact CB-CD1 4.27Å; C395-Y413 HydrophobicContact CB-CD2 4.43Å; C395-Y413 HydrophobicContact CB-CE1 3.85Å; C395-Y413 HydrophobicContact CB-CE2 4.04Å; C395-Y413 VanDerWaalsContact SG-CE2 3.53Å
414T93.8Very high91.2Very high24 Ų2464.5 Ų64.515%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-122.3133.4176.268.90000108.4L379 K406L379-T414 HydrophobicContact CD2-CG2 3.39Å; K406-T414 WeakPolarHBondContact CB-OG1 3.35Å; K406-T414 PolarHBondContact N-O 3.05Å; K406-T414 PolarHBondContact O-N 3.18Å; K406-T414 PolarHBondContact O-OG1 3.36Å
415I95Very high91.1Very high0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-93121.2170.2-55.5-174.4000106.9F360 V377 A378 F380 F403 L405 L431 V433 I449F360-I415 HydrophobicContact CE1-CD1 4.06Å; V377-I415 PolarHBondContact N-O 3.46Å; A378-I415 HydrophobicContact CB-CB 4.27Å; A378-I415 HydrophobicContact CB-CD1 4.23Å; A378-I415 HydrophobicContact CB-CG1 4.36Å; A378-I415 PolarHBondContact O-N 3.02Å; F380-I415 HydrophobicContact CD1-CD1 4.29Å; F380-I415 HydrophobicContact CD1-CG1 4.11Å; F380-I415 HydrophobicContact CE1-CD1 4.08Å; F380-I415 HydrophobicContact CE1-CG1 3.78Å; F403-I415 HydrophobicContact CB-CG2 4.11Å; F403-I415 HydrophobicContact CD1-CG2 4.46Å; L405-I415 HydrophobicContact CD2-CD1 4.5Å; L405-I415 HydrophobicContact CD2-CG1 3.85Å; I415-L431 HydrophobicContact CG2-CD1 3.93Å; I415-V433 HydrophobicContact CD1-CG1 3.99Å; I415-I449 HydrophobicContact CD1-CD1 3.95Å
416V94.1Very high90.9Very high4 Ų461.9 Ų61.92%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-126.9151.2-179.5-55.20000111.6T375 V376 F403 R404 K406T375-V416 WeakPolarHBondContact O-CA 3.42Å; V376-V416 HydrophobicContact CG2-CG1 3.98Å; F403-V416 CarbonylContact C-O 3.56Å; F403-V416 WeakPolarHBondContact CA-O 3.26Å; R404-V416 HydrophobicContact CG-CG2 3.6Å; R404-V416 PolarHBondContact N-O 3.4Å; R404-V416 PolarHBondContact O-N 3.19Å; K406-V416 HydrophobicContact CD-CG2 3.85Å; K406-V416 HydrophobicContact CG-CG2 4.1Å
417T95Very high91Very high1 Ų161.2 Ų61.21%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-59.9134.9170.152.50000110.7A372 P373 G374 T375 V377 F403 L421A372-T417 PolarHBondContact O-OG1 3.21Å; A372-T417 VanDerWaalsContact O-OG1 3.06Å; P373-T417 WeakPolarHBondContact CA-OG1 3.41Å; G374-T417 WeakPolarHBondContact CA-O 3.4Å; G374-T417 PolarHBondContact N-O 3.09Å; G374-T417 PolarHBondContact N-OG1 3.34Å; G374-T417 VanDerWaalsContact N-OG1 3.11Å; T375-T417 PolarHBondContact N-OG1 2.94Å; T375-T417 VanDerWaalsContact N-OG1 3.1Å; T375-T417 PolarHBondContact O-N 3.17Å; T375-T417 VanDerWaalsContact O-N 3.1Å; V377-T417 HydrophobicContact CG2-CG2 4.31Å; F403-T417 HydrophobicContact CD1-CG2 4.2Å; F403-T417 HydrophobicContact CE1-CG2 3.95Å; T417-L421 HydrophobicContact CG2-CD1 3.89Å; T417-L421 HydrophobicContact CG2-CG 4.23Å
418E93.8Very high91.1Very high98 Ų9861.4 Ų61.446%0.45833%0.332SS..SBendtrans-95.9-44.6175.3171.7128.7-121.100111.1P402 R404P402-E418 PolarHBondContact O-N 3.46Å; R404-E418 HydrophobicContact CB-CB 4.29Å; R404-E418 WeakPolarHBondContact CD-OE1 3.3Å; R404-E418 HydrophobicContact CG-CB 4.06Å; R404-E418 IonicContact CZ-OE1 2.72Å; R404-E418 IonicContact NE-OE1 2.72Å; R404-E418 IonicContact NH1-OE1 3.46Å; R404-E418 PolarHBondContact NH1-OE1 3.2Å
419A92.1Very high92Very high38 Ų3859.9 Ų59.931%0.31431%0.313SS..SBendtrans-112.4167.9176.100000110.3P402P402-A419 HydrophobicContact CB-CB 4.25Å
420P93.6Very high92.7Very high98 Ų9856 Ų5664%0.63630%0.303SS*.  trans-55.1149.3158.9-20.333.8000110.1P373P373-P420 HydrophobicContact CG-CG 4.22Å
421L94.7Very high93.3Very high14 Ų1448.7 Ų48.77%0.07327%0.271CS..  trans-100.9162.8173.5-62178.3000109.1V367 E369 P402 F403 T417 Y429 V453V367-L421 HydrophobicContact CG1-CD1 3.61Å; V367-L421 HydrophobicContact CG2-CD1 4.1Å; E369-L421 HydrophobicContact CB-CB 4.3Å; P402-L421 HydrophobicContact CB-CD2 3.88Å; P402-L421 HydrophobicContact CG-CD2 3.49Å; P402-L421 VanDerWaalsContact CG-CD2 3.49Å; F403-L421 HydrophobicContact CE1-CD1 4.25Å; F403-L421 HydrophobicContact CE1-CD2 4.5Å; F403-L421 HydrophobicContact CE2-CD2 4.42Å; F403-L421 HydrophobicContact CZ-CD1 4.12Å; F403-L421 HydrophobicContact CZ-CD2 4Å; T417-L421 HydrophobicContact CG2-CD1 3.89Å; T417-L421 HydrophobicContact CG2-CG 4.23Å; L421-Y429 HydrophobicContact CD2-CE2 4.47Å; L421-V453 HydrophobicContact CB-CG1 4.4Å; L421-V453 HydrophobicContact CD1-CG2 4.43Å
422D95.8Very high93.8Very high81 Ų8148.7 Ų48.743%0.43327%0.272SS..  trans-153.1113.9-175168.9-25.5000104.9E424 A425 G426D422-E424 PolarHBondContact OD1-N 3.19Å; D422-A425 HydrophobicContact CB-CB 4.03Å; D422-A425 VanDerWaalsContact CG-CB 3.43Å; D422-A425 VanDerWaalsContact OD1-CB 3.25Å; D422-A425 WeakPolarHBondContact OD1-CB 3.39Å; D422-A425 PolarHBondContact OD1-N 3.16Å; D422-G426 PolarHBondContact O-N 2.83Å
423R96Very high94.1Very high33 Ų3342 Ų4213%0.12525%0.246CC..THydrogen-bonded Turntrans-77-36.8-172.7-171.9-145.365.799.94.7110.8E369 A425 G426 D427 V453 D455 R490 E492E369-R423 HydrophobicContact CB-CB 4.49Å; E369-R423 VanDerWaalsContact OE2-CB 3.24Å; E369-R423 WeakPolarHBondContact OE2-CB 3.37Å; E369-R423 PolarHBondContact OE2-N 2.82Å; R423-A425 PolarHBondContact O-N 3.34Å; R423-G426 CarbonylContact O-C 3.45Å; R423-G426 PolarHBondContact O-N 2.78Å; R423-D427 PolarHBondContact O-N 2.7Å; R423-D427 VanDerWaalsContact O-N 3.17Å; R423-V453 HydrophobicContact CB-CB 4.37Å; R423-V453 HydrophobicContact CB-CG1 3.85Å; R423-V453 HydrophobicContact CG-CB 4.25Å; R423-V453 HydrophobicContact CG-CG1 4.22Å; R423-D455 WeakPolarHBondContact CD-OD1 3.38Å; R423-D455 IonicContact CZ-OD1 3.05Å; R423-D455 IonicContact NE-OD1 2.71Å; R423-D455 PolarHBondContact NE-OD1 2.83Å; R423-D455 IonicContact NH2-OD1 3.31Å; R423-R490 PolarHBondContact NH2-O 2.98Å; R423-E492 IonicContact NH1-OE2 2.67Å; R423-E492 PolarHBondContact NH1-OE2 2.89Å
424E95.4Very high94.3Very high53 Ų5341.6 Ų41.625%0.24825%0.247CC..THydrogen-bonded Turntrans-60.5-29.5174.4-70.359.4-120.100111.9D422 R490D422-E424 PolarHBondContact OD1-N 3.19Å; E424-R490 HydrophobicContact CG-CB 3.64Å
425A93.5Very high94.5Very high80 Ų8040.5 Ų40.566%0.66124%0.24SC*.THydrogen-bonded Turntrans-87.7-27.2172.700000113.9D422 R423D422-A425 HydrophobicContact CB-CB 4.03Å; D422-A425 VanDerWaalsContact CG-CB 3.43Å; D422-A425 VanDerWaalsContact OD1-CB 3.25Å; D422-A425 WeakPolarHBondContact OD1-CB 3.39Å; D422-A425 PolarHBondContact OD1-N 3.16Å; R423-A425 PolarHBondContact O-N 3.34Å
426G91.3Very high94.6Very high12 Ų1246.6 Ų46.612%0.12426%0.263CS..  trans-159.278.6-170.900000115.2D422 R423 S428 V453D422-G426 PolarHBondContact O-N 2.83Å; R423-G426 CarbonylContact O-C 3.45Å; R423-G426 PolarHBondContact O-N 2.78Å; G426-S428 VanDerWaalsContact C-N 3.32Å; G426-S428 PolarHBondContact O-N 2.8Å; G426-V453 WeakPolarHBondContact O-CG2 3.41Å
427D92.1Very high94.7Very high81 Ų8146.4 Ų46.443%0.43326%0.262SS..SBendtrans-47.2-44.3175.1164.773.5000114.7R423 V453R423-D427 PolarHBondContact O-N 2.7Å; R423-D427 VanDerWaalsContact O-N 3.17Å; D427-V453 PolarHBondContact O-N 3.1Å
428S93.7Very high94.7Very high65 Ų6552.7 Ų52.746%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-153.2150.1-177.952.70000114.1G426 V451G426-S428 VanDerWaalsContact C-N 3.32Å; G426-S428 PolarHBondContact O-N 2.8Å; S428-V451 WeakPolarHBondContact CA-O 3.32Å
429Y93.1Very high94.8Very high56 Ų5648.3 Ų48.322%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-124.5133.3179.5-67.7-84.2000111.5V401 P402 F403 L421 Q450 V451 V453V401-Y429 HydrophobicContact CG1-CD1 4.3Å; P402-Y429 HydrophobicContact CG-CE1 4.02Å; P402-Y429 HydrophobicContact CG-CE2 4.12Å; F403-Y429 HydrophobicContact CE2-CD1 4.28Å; F403-Y429 AromaticContact CE2-CD2 3.68Å; F403-Y429 HydrophobicContact CE2-CD2 3.68Å; F403-Y429 HydrophobicContact CE2-CE2 4.25Å; F403-Y429 AromaticContact CE2-CG 3.69Å; F403-Y429 HydrophobicContact CE2-CG 3.69Å; F403-Y429 HydrophobicContact CZ-CD2 4.04Å; F403-Y429 HydrophobicContact CZ-CG 4.43Å; L421-Y429 HydrophobicContact CD2-CE2 4.47Å; Y429-Q450 WeakPolarHBondContact O-CA 3.47Å; Y429-V451 PolarHBondContact N-O 3.27Å; Y429-V451 PolarHBondContact O-N 2.98Å; Y429-V453 HydrophobicContact CD2-CG2 4.02Å; Y429-V453 HydrophobicContact CE2-CG2 3.95Å
430T94.3Very high94.8Very high77 Ų7755.7 Ų55.747%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-97.1103.5168.5-610000109.1I449T430-I449 CarbonylContact C-O 3.51Å; T430-I449 WeakPolarHBondContact CA-O 3.14Å
431L94.2Very high94.9Very high0 Ų056.1 Ų56.10%030%0.297CS..EExtended strand (participates in β ladder)trans-92.1114-177.2-54.3-174.4000109.4L397 V401 F403 I415 S448 I449 V451L397-L431 HydrophobicContact CD1-CB 4.13Å; V401-L431 HydrophobicContact CB-CD2 4.2Å; V401-L431 HydrophobicContact CG1-CD2 4.41Å; V401-L431 HydrophobicContact CG2-CD2 3.95Å; F403-L431 HydrophobicContact CB-CD1 4.29Å; F403-L431 HydrophobicContact CB-CD2 4.47Å; F403-L431 HydrophobicContact CD1-CD1 4.13Å; F403-L431 HydrophobicContact CD2-CD1 3.96Å; F403-L431 HydrophobicContact CD2-CD2 3.47Å; F403-L431 VanDerWaalsContact CD2-CD2 3.47Å; F403-L431 HydrophobicContact CD2-CG 4.35Å; F403-L431 HydrophobicContact CE1-CD1 4.47Å; F403-L431 HydrophobicContact CE2-CD1 4.31Å; F403-L431 HydrophobicContact CE2-CD2 3.9Å; F403-L431 HydrophobicContact CG-CD1 3.85Å; F403-L431 HydrophobicContact CG-CD2 4.11Å; I415-L431 HydrophobicContact CG2-CD1 3.93Å; L431-S448 CarbonylContact O-C 3.53Å; L431-S448 WeakPolarHBondContact O-CA 3.47Å; L431-I449 HydrophobicContact CB-CG1 3.91Å; L431-I449 PolarHBondContact N-O 3.14Å; L431-I449 PolarHBondContact O-N 2.81Å; L431-V451 HydrophobicContact CD1-CG2 3.76Å; L431-V451 HydrophobicContact CG-CG2 4.22Å
432T96.3Very high95Very high30 Ų3056.9 Ų56.918%0.18431%0.306CS..EExtended strand (participates in β ladder)trans-107.2110.8179.8-57.60000110.2L398 S448L398-T432 HydrophobicContact CD1-CG2 4.23Å; L398-T432 PolarHBondContact N-O 2.89Å; T432-S448 PolarHBondContact OG1-OG 2.97Å
433V96Very high95.1Very high1 Ų155.5 Ų55.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-86.1140.9172-66.60000109.8I358 F360 F380 E396 L397 L405 I415 S446 K447I358-V433 HydrophobicContact CD1-CG2 3.91Å; I358-V433 HydrophobicContact CG2-CG2 3.95Å; F360-V433 HydrophobicContact CE2-CG2 4Å; F360-V433 HydrophobicContact CZ-CG1 4.49Å; F360-V433 HydrophobicContact CZ-CG2 3.64Å; F380-V433 HydrophobicContact CE1-CG1 3.9Å; F380-V433 HydrophobicContact CZ-CB 4.28Å; F380-V433 HydrophobicContact CZ-CG1 3.87Å; E396-V433 WeakPolarHBondContact O-CA 3.37Å; L397-V433 HydrophobicContact CD1-CG1 3.82Å; L405-V433 HydrophobicContact CD2-CG1 4.27Å; I415-V433 HydrophobicContact CD1-CG1 3.99Å; V433-S446 WeakPolarHBondContact O-CA 3.36Å; V433-K447 HydrophobicContact CG2-CB 4.31Å; V433-K447 VanDerWaalsContact CG2-O 3.31Å; V433-K447 WeakPolarHBondContact CG2-O 3.42Å; V433-K447 PolarHBondContact N-O 2.84Å; V433-K447 PolarHBondContact O-N 2.97Å
434V97Very high95.1Very high28 Ų2857.6 Ų57.617%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-119.5120.8172.7176.80000108.1C395 E396 L398 T445C395-V434 WeakPolarHBondContact CA-O 3.02Å; E396-V434 PolarHBondContact N-O 3Å; E396-V434 PolarHBondContact O-N 2.65Å; L398-V434 HydrophobicContact CD1-CG2 3.51Å; L398-V434 HydrophobicContact CD2-CG2 4.38Å; L398-V434 HydrophobicContact CG-CG2 3.69Å; V434-T445 WeakPolarHBondContact CA-O 3.45Å
435A96.8Very high95.2Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-96.9132.7166.800000107.8P356 I358 V382 V393 S444 T445P356-A435 HydrophobicContact CB-CB 4.04Å; P356-A435 HydrophobicContact CG-CB 4.13Å; I358-A435 HydrophobicContact CD1-CB 3.6Å; I358-A435 HydrophobicContact CG1-CB 3.64Å; V382-A435 HydrophobicContact CG1-CB 4.04Å; V393-A435 HydrophobicContact CG1-CB 3.7Å; A435-S444 CarbonylContact O-C 3.51Å; A435-S444 WeakPolarHBondContact O-CA 3.3Å; A435-S444 WeakPolarHBondContact O-CB 3.21Å; A435-T445 PolarHBondContact N-O 3.35Å; A435-T445 PolarHBondContact O-N 3.35Å
436R97.2Very high95.4Very high128 Ų12857.1 Ų57.148%0.48331%0.314SS..EExtended strand (participates in β ladder)trans-136137176.4-179-179.5174176.50.1108.2V393 Q394 A442 L443V393-R436 CarbonylContact C-O 3.6Å; V393-R436 WeakPolarHBondContact CA-O 3.46Å; Q394-R436 HydrophobicContact CG-CB 4.34Å; Q394-R436 VanDerWaalsContact CG-O 3.26Å; Q394-R436 WeakPolarHBondContact CG-O 3.09Å; Q394-R436 PolarHBondContact N-O 2.72Å; Q394-R436 PolarHBondContact O-N 2.71Å; R436-A442 HydrophobicContact CG-CB 4.25Å; R436-L443 WeakPolarHBondContact CA-O 3.43Å; R436-L443 WeakPolarHBondContact CG-O 3.12Å
437D96.9Very high95.6Very high0 Ų061 Ų610%033%0.328CS..  trans-75.8-163.517562.543.1000112.3N352 N390 Q392 G439 A442 L443N352-D437 PolarHBondContact ND2-OD2 2.76Å; N352-D437 PolarHBondContact OD1-OD2 3.36Å; N390-D437 VanDerWaalsContact O-CB 3.26Å; N390-D437 WeakPolarHBondContact O-CB 3.13Å; Q392-D437 CarbonylContact O-C 3.5Å; D437-G439 PolarHBondContact OD1-N 3.41Å; D437-A442 WeakPolarHBondContact OD1-CA 3.15Å; D437-A442 WeakPolarHBondContact OD1-CB 3.4Å; D437-L443 VanDerWaalsContact CG-N 3.32Å; D437-L443 PolarHBondContact N-O 3.46Å; D437-L443 PolarHBondContact OD1-N 3.08Å; D437-L443 WeakPolarHBondContact OD2-CA 3.43Å; D437-L443 WeakPolarHBondContact OD2-CB 3.08Å; D437-L443 PolarHBondContact OD2-N 3.3Å
438R95.8Very high95.7Very high133 Ų13360.4 Ų60.450%0.50233%0.33SS..  trans-12418.5170.5-68.4173.8171.3-167.3-9.9113.7E389 Q392E389-R438 WeakPolarHBondContact O-CB 3.16Å; Q392-R438 HydrophobicContact CB-CB 4.48Å; Q392-R438 HydrophobicContact CB-CG 4.4Å; Q392-R438 WeakPolarHBondContact O-CG 3.22Å; Q392-R438 PolarHBondContact O-N 2.87Å
439G94.3Very high95.7Very high6 Ų658.2 Ų58.26%0.06231%0.312CS..SBendtrans-70.3171.8175.700000113.5N352 N390 D437 P441 A442N352-G439 WeakPolarHBondContact OD1-CA 3.04Å; N390-G439 WeakPolarHBondContact OD1-CA 3.38Å; D437-G439 PolarHBondContact OD1-N 3.41Å; G439-P441 CarbonylContact O-C 3.43Å; G439-A442 VanDerWaalsContact O-CA 3.3Å; G439-A442 WeakPolarHBondContact O-CA 3.25Å; G439-A442 WeakPolarHBondContact O-CB 3.23Å; G439-A442 PolarHBondContact O-N 3.2Å
440E94.1Very high95.7Very high194 Ų19462.5 Ų62.591%0.90734%0.335SS*.SBendtrans-127.2100.2172.3-67.7-163.5165.500110
441P95.2Very high95.7Very high106 Ų10658.9 Ų58.969%0.68831%0.312SS*.SBendcis-79.6140.3533.4-34.9000113.3N352 G439N352-P441 PolarHBondContact ND2-O 2.69Å; N352-P441 VanDerWaalsContact ND2-O 3.13Å; G439-P441 CarbonylContact O-C 3.43Å
442A96.6Very high95.7Very high31 Ų3164.2 Ų64.226%0.25634%0.337SS..PPolyproline II helixtrans-70.9131.4177.500000112.5R436 D437 G439R436-A442 HydrophobicContact CG-CB 4.25Å; D437-A442 WeakPolarHBondContact OD1-CA 3.15Å; D437-A442 WeakPolarHBondContact OD1-CB 3.4Å; G439-A442 VanDerWaalsContact O-CA 3.3Å; G439-A442 WeakPolarHBondContact O-CA 3.25Å; G439-A442 WeakPolarHBondContact O-CB 3.23Å; G439-A442 PolarHBondContact O-N 3.2Å
443L96.8Very high95.6Very high52 Ų5263 Ų6327%0.27233%0.33SS..PPolyproline II helixtrans-90.9159.7171.6-52.8171000110.3N352 A355 R436 D437N352-L443 WeakPolarHBondContact ND2-CG 3.36Å; A355-L443 HydrophobicContact CB-CB 3.93Å; A355-L443 HydrophobicContact CB-CD1 4.11Å; R436-L443 WeakPolarHBondContact CA-O 3.43Å; R436-L443 WeakPolarHBondContact CG-O 3.12Å; D437-L443 VanDerWaalsContact CG-N 3.32Å; D437-L443 PolarHBondContact N-O 3.46Å; D437-L443 PolarHBondContact OD1-N 3.08Å; D437-L443 WeakPolarHBondContact OD2-CA 3.43Å; D437-L443 WeakPolarHBondContact OD2-CB 3.08Å; D437-L443 PolarHBondContact OD2-N 3.3Å
444S97.2Very high95.5Very high76 Ų7665.2 Ų65.253%0.53135%0.345SS..EExtended strand (participates in β ladder)trans-154142.4179.763.80000112.4A435A435-S444 CarbonylContact O-C 3.51Å; A435-S444 WeakPolarHBondContact O-CA 3.3Å; A435-S444 WeakPolarHBondContact O-CB 3.21Å
445T97.6Very high95.4Very high40 Ų4065.3 Ų65.325%0.24535%0.345CS..EExtended strand (participates in β ladder)trans-119.3138.1176.8-63.50000108.9P356 I358 V434 A435P356-T445 WeakPolarHBondContact O-CB 3.4Å; P356-T445 PolarHBondContact O-OG1 3.45Å; I358-T445 HydrophobicContact CD1-CG2 4.28Å; I358-T445 WeakPolarHBondContact CD1-O 3.33Å; I358-T445 HydrophobicContact CG1-CG2 4.12Å; V434-T445 WeakPolarHBondContact CA-O 3.45Å; A435-T445 PolarHBondContact N-O 3.35Å; A435-T445 PolarHBondContact O-N 3.35Å
446S96.8Very high95.3Very high83 Ų8367.9 Ų67.958%0.5836%0.36SS*.EExtended strand (participates in β ladder)trans-115.1144.4172.862.50000110.7V433V433-S446 WeakPolarHBondContact O-CA 3.36Å
447K95.5Very high95.2Very high95 Ų9562.9 Ų62.941%0.41334%0.343SS..EExtended strand (participates in β ladder)trans-146.8129.8177.4-159.4163.5-176.1163.40110.1I358 F360 V433I358-K447 HydrophobicContact CB-CB 4.24Å; I358-K447 HydrophobicContact CB-CD 4.03Å; I358-K447 HydrophobicContact CD1-CB 4.17Å; I358-K447 HydrophobicContact CG2-CB 4.26Å; I358-K447 HydrophobicContact CG2-CD 4.19Å; I358-K447 VanDerWaalsContact O-CD 3.28Å; I358-K447 WeakPolarHBondContact O-CD 3.28Å; I358-K447 PolarHBondContact O-NZ 2.92Å; F360-K447 HydrophobicContact CD2-CD 4.11Å; F360-K447 HydrophobicContact CD2-CG 4.37Å; F360-K447 HydrophobicContact CE2-CB 4.17Å; F360-K447 HydrophobicContact CE2-CD 4.11Å; F360-K447 HydrophobicContact CE2-CG 3.97Å; V433-K447 HydrophobicContact CG2-CB 4.31Å; V433-K447 VanDerWaalsContact CG2-O 3.31Å; V433-K447 WeakPolarHBondContact CG2-O 3.42Å; V433-K447 PolarHBondContact N-O 2.84Å; V433-K447 PolarHBondContact O-N 2.97Å
448S94.8Very high95.1Very high68 Ų6867.8 Ų67.848%0.47637%0.369SS..EExtended strand (participates in β ladder)trans-106.7141.8-176.4-51.30000111.2L431 T432L431-S448 CarbonylContact O-C 3.53Å; L431-S448 WeakPolarHBondContact O-CA 3.47Å; T432-S448 PolarHBondContact OG1-OG 2.97Å
449I93.6Very high95Very high18 Ų1863.4 Ų63.49%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-122.9148.4167.260.6169.5000108.9F360 V363 A378 I415 T430 L431 V451F360-I449 HydrophobicContact CD1-CG2 4.1Å; F360-I449 HydrophobicContact CD2-CG2 3.95Å; F360-I449 HydrophobicContact CE1-CD1 3.86Å; F360-I449 HydrophobicContact CE1-CG1 4.4Å; F360-I449 HydrophobicContact CE1-CG2 3.83Å; F360-I449 HydrophobicContact CE2-CG2 3.66Å; F360-I449 HydrophobicContact CG-CG2 4.17Å; F360-I449 HydrophobicContact CZ-CD1 4.31Å; F360-I449 HydrophobicContact CZ-CG1 4.37Å; F360-I449 HydrophobicContact CZ-CG2 3.58Å; V363-I449 HydrophobicContact CG1-CB 4.35Å; V363-I449 HydrophobicContact CG1-CD1 3.93Å; V363-I449 HydrophobicContact CG2-CD1 4.3Å; V363-I449 HydrophobicContact CG2-CG2 4Å; A378-I449 HydrophobicContact CB-CD1 3.81Å; I415-I449 HydrophobicContact CD1-CD1 3.95Å; T430-I449 CarbonylContact C-O 3.51Å; T430-I449 WeakPolarHBondContact CA-O 3.14Å; L431-I449 HydrophobicContact CB-CG1 3.91Å; L431-I449 PolarHBondContact N-O 3.14Å; L431-I449 PolarHBondContact O-N 2.81Å; I449-V451 HydrophobicContact CD1-CG2 4.18Å; I449-V451 HydrophobicContact CG1-CG2 4.45Å
450Q93Very high95.1Very high147 Ų14765.6 Ų65.669%0.68737%0.373SS*.EExtended strand (participates in β ladder)trans-99.1137.3169.5-71-174.9-21.900109.4Y429Y429-Q450 WeakPolarHBondContact O-CA 3.47Å
451V93.2Very high95.3Very high0 Ų056.5 Ų56.50%033%0.331CS..EExtended strand (participates in β ladder)trans-127.2114.8177.6178.50000106.7V367 V377 F403 S428 Y429 L431 I449V367-V451 HydrophobicContact CB-CG1 4.31Å; V367-V451 HydrophobicContact CG1-CG1 3.52Å; V377-V451 HydrophobicContact CG1-CB 4.45Å; V377-V451 HydrophobicContact CG1-CG1 3.77Å; V377-V451 HydrophobicContact CG1-CG2 3.76Å; F403-V451 HydrophobicContact CZ-CG1 4.44Å; S428-V451 WeakPolarHBondContact CA-O 3.32Å; Y429-V451 PolarHBondContact N-O 3.27Å; Y429-V451 PolarHBondContact O-N 2.98Å; L431-V451 HydrophobicContact CD1-CG2 3.76Å; L431-V451 HydrophobicContact CG-CG2 4.22Å; I449-V451 HydrophobicContact CD1-CG2 4.18Å; I449-V451 HydrophobicContact CG1-CG2 4.45Å
452Q94.2Very high95.3Very high113 Ų11360 Ų6053%0.52833%0.33SS..EExtended strand (participates in β ladder)trans-85139.9172.4-64.8-174.6-61.700109.5E365 A366 V367E365-Q452 PolarHBondContact O-N 3.35Å; A366-Q452 CarbonylContact C-O 3.51Å; A366-Q452 WeakPolarHBondContact CA-O 3.46Å; V367-Q452 PolarHBondContact N-O 3.09Å
453V95.4Very high95.4Very high5 Ų559 Ų593%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-87.4123.5171.1-174.60000107.3V367 E369 L421 R423 G426 D427 Y429V367-V453 CarbonylContact O-C 3.54Å; V367-V453 VanDerWaalsContact O-CA 3.29Å; V367-V453 WeakPolarHBondContact O-CA 3.45Å; E369-V453 HydrophobicContact CB-CG1 3.69Å; L421-V453 HydrophobicContact CB-CG1 4.4Å; L421-V453 HydrophobicContact CD1-CG2 4.43Å; R423-V453 HydrophobicContact CB-CB 4.37Å; R423-V453 HydrophobicContact CB-CG1 3.85Å; R423-V453 HydrophobicContact CG-CB 4.25Å; R423-V453 HydrophobicContact CG-CG1 4.22Å; G426-V453 WeakPolarHBondContact O-CG2 3.41Å; D427-V453 PolarHBondContact O-N 3.1Å; Y429-V453 HydrophobicContact CD2-CG2 4.02Å; Y429-V453 HydrophobicContact CE2-CG2 3.95Å
454S94.2Very high95.4Very high46 Ų4660 Ų6032%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-95.6128.6-179.870.50000111.3V367 S368 E369V367-S454 PolarHBondContact O-N 2.95Å; S368-S454 WeakPolarHBondContact CA-O 3.43Å; S368-S454 VanDerWaalsContact CA-OG 3.23Å; S368-S454 WeakPolarHBondContact CA-OG 3.25Å; S368-S454 PolarHBondContact N-OG 2.95Å; E369-S454 PolarHBondContact N-O 3.32Å
455D94.8Very high95.3Very high31 Ų3160.8 Ų60.817%0.16633%0.327CS..PPolyproline II helixtrans-51.2142.5-178.8-164.780.3000115.6E369 R423 D491 E492 N495E369-D455 VanDerWaalsContact OE1-CA 3.24Å; E369-D455 WeakPolarHBondContact OE1-CA 3.45Å; R423-D455 WeakPolarHBondContact CD-OD1 3.38Å; R423-D455 IonicContact CZ-OD1 3.05Å; R423-D455 IonicContact NE-OD1 2.71Å; R423-D455 PolarHBondContact NE-OD1 2.83Å; R423-D455 IonicContact NH2-OD1 3.31Å; D455-D491 WeakPolarHBondContact OD1-CA 3.33Å; D455-E492 HydrophobicContact CB-CB 3.77Å; D455-E492 VanDerWaalsContact CG-CB 3.47Å; D455-E492 WeakPolarHBondContact OD1-CB 3.39Å; D455-E492 PolarHBondContact OD1-N 3.25Å; D455-E492 PolarHBondContact OD2-N 3.24Å; D455-E492 VanDerWaalsContact OD2-N 3.14Å; D455-N495 WeakPolarHBondContact OD2-CB 3.5Å; D455-N495 PolarHBondContact OD2-ND2 3.45Å
456V93.9Very high95.2Very high54 Ų5463.9 Ų63.933%0.32735%0.348SS..  trans-135.2134.5172176.70000108.2S368 E369 D458S368-V456 WeakPolarHBondContact OG-CG2 3.47Å; E369-V456 HydrophobicContact CG-CB 3.99Å; E369-V456 HydrophobicContact CG-CG2 3.98Å; E369-V456 PolarHBondContact OE1-N 3.33Å; V456-D458 WeakPolarHBondContact O-CB 3.35Å; V456-D458 PolarHBondContact O-N 3.08Å
457N95.4Very high95.2Very high23 Ų2362.9 Ų62.912%0.12334%0.338CS..SBendtrans-65.193.9179.1-154.668.3000111.5D491 N495 D547 Q552 L554N457-D491 VanDerWaalsContact CA-OD2 3.23Å; N457-D491 WeakPolarHBondContact CA-OD2 3.49Å; N457-N495 HydrophobicContact CB-CB 4.12Å; N457-N495 PolarHBondContact N-ND2 3.36Å; N457-N495 WeakPolarHBondContact OD1-CA 3.03Å; N457-N495 WeakPolarHBondContact OD1-CB 3.45Å; N457-N495 PolarHBondContact OD1-O 3.23Å; N457-D547 VanDerWaalsContact ND2-CG 3.31Å; N457-D547 PolarHBondContact ND2-OD1 2.88Å; N457-D547 PolarHBondContact ND2-OD2 2.85Å; N457-D547 PolarHBondContact OD1-OD2 3.11Å; N457-Q552 PolarHBondContact ND2-O 3.41Å; N457-L554 WeakPolarHBondContact ND2-CG 3.36Å; N457-L554 PolarHBondContact ND2-N 3.32Å
458D94Very high95.3Very high103 Ų10358.5 Ų58.555%0.55132%0.319SS*.  trans-132.3-26.3-166.8137.2-51.9000112V456 D491V456-D458 WeakPolarHBondContact O-CB 3.35Å; V456-D458 PolarHBondContact O-N 3.08Å; D458-D491 PolarHBondContact N-OD2 3.25Å
459N95Very high95.5Very high41 Ų4159.3 Ų59.322%0.21932%0.318CS..SBendtrans-90.4146165.5-62-91.8000110.6R490 D491 L554N459-R490 HydrophobicContact CB-CB 4.18Å; N459-D491 WeakPolarHBondContact CB-OD1 3.33Å; N459-D491 PolarHBondContact N-OD1 2.97Å; N459-D491 PolarHBondContact N-OD2 3.32Å; N459-D491 VanDerWaalsContact N-OD2 3.13Å; N459-D491 PolarHBondContact ND2-OD1 3.1Å; N459-L554 VanDerWaalsContact O-CD1 3.24Å; N459-L554 WeakPolarHBondContact O-CD1 3.3Å
460A95.8Very high95.6Very high51 Ų5158.6 Ų58.642%0.42131%0.314SS..  trans-104.1145176.500000110.6R462 L554A460-R462 PolarHBondContact O-N 2.92Å; A460-L554 HydrophobicContact CB-CB 3.94Å; A460-L554 HydrophobicContact CB-CD1 4.4Å
461P97.4Very high95.8Very high3 Ų358.5 Ų58.52%0.01931%0.309CS..  trans-53.6121.4-178.9-28.531.4000112.7D489 L498 A545 D547 G556P461-D489 VanDerWaalsContact CA-OD2 3.24Å; P461-D489 WeakPolarHBondContact CA-OD2 3.19Å; P461-D489 WeakPolarHBondContact CD-OD2 3.3Å; P461-D489 WeakPolarHBondContact CG-OD2 3.38Å; P461-L498 HydrophobicContact CB-CD2 3.63Å; P461-L498 HydrophobicContact CG-CD2 3.6Å; P461-A545 HydrophobicContact CB-CB 3.93Å; P461-A545 WeakPolarHBondContact CB-O 3.06Å; P461-D547 HydrophobicContact CG-CB 4.25Å; P461-G556 VanDerWaalsContact O-CA 3.3Å; P461-G556 WeakPolarHBondContact O-CA 3.38Å; P461-G556 PolarHBondContact O-N 2.98Å
462R96.9Very high96Very high179 Ų17958.9 Ų58.968%0.67531%0.311SS*.EExtended strand (participates in β ladder)trans-109.4116.6-177.2-173.9170.9178.3-86.8-2.8111.9A460 A487 T488A460-R462 PolarHBondContact O-N 2.92Å; R462-A487 CarbonylContact O-C 3.49Å; R462-A487 VanDerWaalsContact O-CA 3.23Å; R462-A487 WeakPolarHBondContact O-CA 3.41Å; R462-T488 PolarHBondContact N-O 2.83Å; R462-T488 PolarHBondContact O-N 2.95Å
463F97.7Very high96Very high11 Ų1156.7 Ų56.75%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-61.2147.7171.4-77.7-83.8000112.6Q465 Y468 V485 S486 A487 Y500 V543 A545 G556 A558F463-Q465 WeakPolarHBondContact CB-O 3.31Å; F463-Q465 PolarHBondContact O-N 2.89Å; F463-Y468 HydrophobicContact CB-CE2 4.45Å; F463-Y468 HydrophobicContact CD1-CE2 4.1Å; F463-V485 HydrophobicContact CD1-CB 4.31Å; F463-V485 HydrophobicContact CE1-CB 4.03Å; F463-V485 HydrophobicContact CE1-CG2 3.96Å; F463-S486 CarbonylContact C-O 3.51Å; F463-S486 WeakPolarHBondContact CA-O 3.24Å; F463-A487 HydrophobicContact CD1-CB 4.02Å; F463-A487 HydrophobicContact CD2-CB 4.47Å; F463-A487 HydrophobicContact CE1-CB 4.28Å; F463-A487 HydrophobicContact CG-CB 4.12Å; F463-Y500 HydrophobicContact CE1-CD1 4.16Å; F463-Y500 HydrophobicContact CE1-CE1 4.07Å; F463-Y500 HydrophobicContact CZ-CD1 4.32Å; F463-Y500 HydrophobicContact CZ-CE1 4.5Å; F463-V543 HydrophobicContact CD1-CG2 4.44Å; F463-V543 HydrophobicContact CE1-CB 4.47Å; F463-V543 HydrophobicContact CE1-CG2 3.68Å; F463-V543 HydrophobicContact CE2-CG2 4.3Å; F463-V543 HydrophobicContact CZ-CB 4.11Å; F463-V543 HydrophobicContact CZ-CG2 3.59Å; F463-A545 HydrophobicContact CD2-CB 4.44Å; F463-A545 HydrophobicContact CE1-CB 4.26Å; F463-A545 HydrophobicContact CE2-CB 3.65Å; F463-A545 HydrophobicContact CZ-CB 3.53Å; F463-G556 WeakPolarHBondContact CE2-O 3.5Å; F463-A558 HydrophobicContact CB-CB 3.83Å; F463-A558 HydrophobicContact CD1-CB 3.99Å; F463-A558 HydrophobicContact CD2-CB 3.61Å; F463-A558 HydrophobicContact CE1-CB 4.48Å; F463-A558 HydrophobicContact CE2-CB 4.13Å; F463-A558 HydrophobicContact CG-CB 3.52Å
464S96.4Very high96Very high74 Ų7456.6 Ų56.652%0.51731%0.305SS..SBendtrans-63.3-29.117867.40000112.8Y468 S486S464-Y468 PolarHBondContact N-OH 2.98Å; S464-Y468 PolarHBondContact OG-OH 2.86Å; S464-S486 PolarHBondContact N-O 2.94Å
465Q95.5Very high96Very high92 Ų9258.2 Ų58.243%0.4331%0.31SS..  trans-137.6145.8173.4-53.5-177.717.800109.5F463 V467 Y468F463-Q465 WeakPolarHBondContact CB-O 3.31Å; F463-Q465 PolarHBondContact O-N 2.89Å; Q465-V467 VanDerWaalsContact C-N 3.32Å; Q465-V467 PolarHBondContact OE1-O 2.91Å; Q465-Y468 HydrophobicContact CB-CD1 4.07Å; Q465-Y468 HydrophobicContact CB-CE1 3.72Å; Q465-Y468 HydrophobicContact CB-CE2 4.29Å; Q465-Y468 HydrophobicContact CG-CD1 4.31Å; Q465-Y468 HydrophobicContact CG-CE1 3.87Å; Q465-Y468 PolarHBondContact N-OH 2.94Å; Q465-Y468 VanDerWaalsContact N-OH 3.17Å; Q465-Y468 VanDerWaalsContact O-CE2 3.28Å; Q465-Y468 WeakPolarHBondContact O-CE2 3.44Å
466P95.6Very high96Very high105 Ų10557.3 Ų57.368%0.68231%0.305SS*.SBendtrans-74.7-25177.131-35.1000112.8A558 T559P466-A558 WeakPolarHBondContact O-CA 3.35Å; P466-T559 PolarHBondContact O-N 2.68Å
467V97.7Very high96.1Very high62 Ų6259.7 Ų59.738%0.37632%0.32SS..EExtended strand (participates in β ladder)trans-138.8135.8178.3-175.60000107.5Q465 T559 N561Q465-V467 VanDerWaalsContact C-N 3.32Å; Q465-V467 PolarHBondContact OE1-O 2.91Å; V467-T559 CarbonylContact C-O 3.51Å; V467-T559 VanDerWaalsContact CA-O 3.24Å; V467-T559 WeakPolarHBondContact CA-O 3.25Å; V467-N561 VanDerWaalsContact CG1-ND2 3.3Å; V467-N561 WeakPolarHBondContact CG1-ND2 3.47Å
468Y97.8Very high96.1Very high3 Ų362.5 Ų62.51%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-118122.6173.7-60.5-91.3000109.2F463 S464 Q465 Y483 V485 S486 A558 T559 V560 N561F463-Y468 HydrophobicContact CB-CE2 4.45Å; F463-Y468 HydrophobicContact CD1-CE2 4.1Å; S464-Y468 PolarHBondContact N-OH 2.98Å; S464-Y468 PolarHBondContact OG-OH 2.86Å; Q465-Y468 HydrophobicContact CB-CD1 4.07Å; Q465-Y468 HydrophobicContact CB-CE1 3.72Å; Q465-Y468 HydrophobicContact CB-CE2 4.29Å; Q465-Y468 HydrophobicContact CG-CD1 4.31Å; Q465-Y468 HydrophobicContact CG-CE1 3.87Å; Q465-Y468 PolarHBondContact N-OH 2.94Å; Q465-Y468 VanDerWaalsContact N-OH 3.17Å; Q465-Y468 VanDerWaalsContact O-CE2 3.28Å; Q465-Y468 WeakPolarHBondContact O-CE2 3.44Å; Y468-Y483 AromaticContact CD1-CE1 3.95Å; Y468-Y483 HydrophobicContact CD1-CE1 3.95Å; Y468-V485 HydrophobicContact CD2-CG1 3.82Å; Y468-V485 HydrophobicContact CE2-CB 4.21Å; Y468-V485 HydrophobicContact CE2-CG1 3.84Å; Y468-V485 HydrophobicContact CG-CG1 4.19Å; Y468-S486 PolarHBondContact OH-O 2.87Å; Y468-A558 HydrophobicContact CD2-CB 4.27Å; Y468-A558 HydrophobicContact CE2-CB 3.86Å; Y468-T559 PolarHBondContact N-O 2.77Å; Y468-V560 HydrophobicContact CD2-CG2 4.27Å; Y468-V560 WeakPolarHBondContact O-CA 3.34Å; Y468-N561 PolarHBondContact O-N 2.86Å
469D97.4Very high96.1Very high85 Ų8559.9 Ų59.946%0.45534%0.336SS..EExtended strand (participates in β ladder)trans-96.5118.7172.4-63.3-40.6000109.2N561 L563D469-N561 WeakPolarHBondContact OD1-CB 3.22Å; D469-N561 PolarHBondContact OD1-ND2 2.87Å; D469-L563 HydrophobicContact CB-CD1 4.37Å
470V96.9Very high96.1Very high2 Ų259.5 Ų59.51%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-120.1114.8-172.9-179.70000109.3V472 Y483 V560 N561 I562 L563V470-V472 HydrophobicContact CG1-CG2 3.96Å; V470-Y483 HydrophobicContact CB-CD2 4.34Å; V470-Y483 HydrophobicContact CB-CG 4.36Å; V470-Y483 HydrophobicContact CG1-CD2 3.88Å; V470-Y483 HydrophobicContact CG1-CG 4Å; V470-Y483 HydrophobicContact CG2-CD1 3.75Å; V470-Y483 HydrophobicContact CG2-CD2 3.81Å; V470-Y483 HydrophobicContact CG2-CE1 4.29Å; V470-Y483 HydrophobicContact CG2-CE2 4.32Å; V470-Y483 HydrophobicContact CG2-CG 3.49Å; V470-Y483 VanDerWaalsContact CG2-CG 3.49Å; V470-V560 HydrophobicContact CG2-CG1 3.84Å; V470-N561 PolarHBondContact N-O 2.84Å; V470-I562 HydrophobicContact CB-CD1 3.74Å; V470-I562 HydrophobicContact CG1-CD1 4Å; V470-I562 HydrophobicContact CG2-CD1 4.24Å; V470-I562 WeakPolarHBondContact O-CA 3.43Å; V470-L563 PolarHBondContact O-N 3.29Å
471Y97Very high96.2Very high145 Ų14562.6 Ų62.657%0.56934%0.34SS*.EExtended strand (participates in β ladder)trans-87.9121.4176.1-64-86.9000110.2L563 V565Y471-L563 WeakPolarHBondContact CA-O 3.49Å; Y471-L563 HydrophobicContact CD1-CB 3.81Å; Y471-L563 HydrophobicContact CD1-CD1 4.19Å; Y471-L563 HydrophobicContact CE1-CB 3.88Å; Y471-L563 HydrophobicContact CE1-CD1 3.48Å; Y471-L563 VanDerWaalsContact CE1-CD1 3.48Å; Y471-L563 HydrophobicContact CE1-CG 4.33Å; Y471-L563 HydrophobicContact CE2-CD1 4.28Å; Y471-V565 HydrophobicContact CD1-CG2 3.95Å; Y471-V565 HydrophobicContact CG-CG2 4.46Å
472V96.8Very high96.2Very high8 Ų863.6 Ų63.65%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-121.5128.4178.1-175.30000108V470 N476 I482 F531 I562 L563 I564 V565V470-V472 HydrophobicContact CG1-CG2 3.96Å; V472-N476 HydrophobicContact CG1-CB 4.12Å; V472-I482 HydrophobicContact CG1-CG2 3.95Å; V472-I482 HydrophobicContact CG2-CB 3.95Å; V472-I482 HydrophobicContact CG2-CD1 4.35Å; V472-I482 HydrophobicContact CG2-CG2 3.85Å; V472-F531 HydrophobicContact CB-CD2 4.49Å; V472-F531 HydrophobicContact CG1-CD2 3.91Å; V472-F531 HydrophobicContact CG1-CE2 4.11Å; V472-I562 HydrophobicContact CB-CG2 4.31Å; V472-I562 HydrophobicContact CG2-CG2 3.83Å; V472-L563 PolarHBondContact N-O 2.84Å; V472-I564 CarbonylContact O-C 3.38Å; V472-I564 VanDerWaalsContact O-CA 3.3Å; V472-I564 WeakPolarHBondContact O-CA 3.32Å; V472-V565 PolarHBondContact O-N 2.6Å
473T95.4Very high96.2Very high68 Ų6859.1 Ų59.142%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-62.8141.417456.40000110.3N476T473-N476 WeakPolarHBondContact O-CB 3.16Å
474E95.3Very high96.1Very high3 Ų360 Ų601%0.01434%0.339CS..THydrogen-bonded Turntrans-47.2155.2156.9165.4149.1-120.200112.3N476 D532 Y533 I564 V565 D566 Q567E474-N476 PolarHBondContact O-N 2.91Å; E474-N476 VanDerWaalsContact O-N 3.13Å; E474-D532 WeakPolarHBondContact OE1-CA 3.11Å; E474-Y533 WeakPolarHBondContact OE1-CB 2.8Å; E474-Y533 PolarHBondContact OE1-N 2.97Å; E474-Y533 VanDerWaalsContact OE2-CB 3.26Å; E474-Y533 WeakPolarHBondContact OE2-CB 3.23Å; E474-I564 HydrophobicContact CB-CG2 4.24Å; E474-V565 WeakPolarHBondContact CB-O 3.38Å; E474-V565 PolarHBondContact N-O 2.97Å; E474-D566 WeakPolarHBondContact OE2-CA 3.17Å; E474-Q567 HydrophobicContact CB-CB 4.42Å; E474-Q567 HydrophobicContact CG-CB 4.46Å; E474-Q567 PolarHBondContact OE2-N 2.65Å
475N94.3Very high96.2Very high79 Ų7956.6 Ų56.642%0.42232%0.315SS..THydrogen-bonded Turntrans58.827.4177-75.1-52.6000113.4S530 F531 D569N475-S530 VanDerWaalsContact CA-OG 3.28Å; N475-S530 WeakPolarHBondContact CA-OG 3.29Å; N475-F531 PolarHBondContact N-O 2.84Å; N475-D569 PolarHBondContact ND2-OD2 2.71Å
476N94.9Very high96.2Very high13 Ų1355.1 Ų55.17%0.0731%0.314CS..PPolyproline II helixtrans-64.2153.6179.868.1-77.6000113V472 T473 E474 P478 A527 R529 S530 F531V472-N476 HydrophobicContact CG1-CB 4.12Å; T473-N476 WeakPolarHBondContact O-CB 3.16Å; E474-N476 PolarHBondContact O-N 2.91Å; E474-N476 VanDerWaalsContact O-N 3.13Å; N476-P478 WeakPolarHBondContact O-CD 3.28Å; N476-A527 WeakPolarHBondContact ND2-CB 3.31Å; N476-R529 PolarHBondContact ND2-O 3.28Å; N476-S530 WeakPolarHBondContact O-CA 3.13Å; N476-S530 WeakPolarHBondContact O-CB 3.23Å; N476-S530 PolarHBondContact O-OG 3.31Å; N476-F531 WeakPolarHBondContact OD1-CD2 3.16Å; N476-F531 PolarHBondContact OD1-N 2.97Å
477V95.3Very high96.3Very high104 Ų10450.4 Ų50.463%0.6328%0.284SS*.PPolyproline II helixtrans-67.7126.2176.6179.60000110.5A480V477-A480 HydrophobicContact CB-CB 4.23Å; V477-A480 WeakPolarHBondContact O-CB 3.38Å; V477-A480 PolarHBondContact O-N 3Å
478P95.6Very high96.2Very high81 Ų8151.8 Ų51.853%0.52629%0.293SS..THydrogen-bonded Turntrans-62.2136.3170.4-20.731.8000111.6N476 A480N476-P478 WeakPolarHBondContact O-CD 3.28Å; P478-A480 VanDerWaalsContact C-N 3.34Å
479G94.1Very high96.2Very high48 Ų4852.9 Ų52.950%0.49530%0.299SS..THydrogen-bonded Turntrans832.2-172.500000114.6A527G479-A527 VanDerWaalsContact CA-O 3.31Å; G479-A527 WeakPolarHBondContact CA-O 3.45Å; G479-A527 PolarHBondContact N-O 2.96Å
480A95.3Very high96.1Very high33 Ų3357.1 Ų57.127%0.27331%0.308SS..  trans-73.5143.6178.200000112.5V477 P478 Y526 A527V477-A480 HydrophobicContact CB-CB 4.23Å; V477-A480 WeakPolarHBondContact O-CB 3.38Å; V477-A480 PolarHBondContact O-N 3Å; P478-A480 VanDerWaalsContact C-N 3.34Å; A480-Y526 CarbonylContact O-C 3.56Å; A480-Y526 VanDerWaalsContact O-CA 3.22Å; A480-Y526 WeakPolarHBondContact O-CA 3.43Å; A480-A527 PolarHBondContact O-N 2.88Å
481Y97.2Very high96.1Very high116 Ų11657.4 Ų57.446%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-64.1132.1165.1166.9-93.2000109.7Y483 A484 Y524Y481-Y483 WeakPolarHBondContact CE2-O 3.47Å; Y481-Y483 VanDerWaalsContact CZ-C 3.46Å; Y481-Y483 VanDerWaalsContact OH-C 3.31Å; Y481-A484 HydrophobicContact CE2-CB 4.17Å; Y481-A484 WeakPolarHBondContact OH-CB 3.43Å; Y481-A484 PolarHBondContact OH-N 3.4Å; Y481-Y524 AromaticContact CD2-CD2 3.8Å; Y481-Y524 HydrophobicContact CD2-CD2 3.8Å; Y481-Y524 HydrophobicContact CD2-CG 4.07Å; Y481-Y524 HydrophobicContact CE2-CD1 4.26Å; Y481-Y524 AromaticContact CE2-CD2 3.72Å; Y481-Y524 HydrophobicContact CE2-CD2 3.72Å; Y481-Y524 HydrophobicContact CE2-CE2 4.2Å; Y481-Y524 AromaticContact CE2-CG 3.76Å; Y481-Y524 HydrophobicContact CE2-CG 3.76Å
482I96.5Very high96Very high25 Ų2555.5 Ų55.513%0.12831%0.306CS..EExtended strand (participates in β ladder)trans-114.9-36.6178.453.4171.1000113V472 V516 L525 A527 I562V472-I482 HydrophobicContact CG1-CG2 3.95Å; V472-I482 HydrophobicContact CG2-CB 3.95Å; V472-I482 HydrophobicContact CG2-CD1 4.35Å; V472-I482 HydrophobicContact CG2-CG2 3.85Å; I482-V516 HydrophobicContact CD1-CG1 3.95Å; I482-L525 HydrophobicContact CD1-CB 4.26Å; I482-L525 HydrophobicContact CG1-CB 3.87Å; I482-L525 WeakPolarHBondContact CG1-O 3.46Å; I482-L525 PolarHBondContact N-O 3.13Å; I482-A527 HydrophobicContact CD1-CB 4.41Å; I482-A527 HydrophobicContact CG2-CB 3.75Å; I482-I562 HydrophobicContact CD1-CD1 4.01Å
483Y97.2Very high95.9Very high85 Ų8557.8 Ų57.833%0.33333%0.332SS..EExtended strand (participates in β ladder)trans-165.2171-179.4-147.9-105.6000111.9Y468 V470 Y481 L525Y468-Y483 AromaticContact CD1-CE1 3.95Å; Y468-Y483 HydrophobicContact CD1-CE1 3.95Å; V470-Y483 HydrophobicContact CB-CD2 4.34Å; V470-Y483 HydrophobicContact CB-CG 4.36Å; V470-Y483 HydrophobicContact CG1-CD2 3.88Å; V470-Y483 HydrophobicContact CG1-CG 4Å; V470-Y483 HydrophobicContact CG2-CD1 3.75Å; V470-Y483 HydrophobicContact CG2-CD2 3.81Å; V470-Y483 HydrophobicContact CG2-CE1 4.29Å; V470-Y483 HydrophobicContact CG2-CE2 4.32Å; V470-Y483 HydrophobicContact CG2-CG 3.49Å; V470-Y483 VanDerWaalsContact CG2-CG 3.49Å; Y481-Y483 WeakPolarHBondContact CE2-O 3.47Å; Y481-Y483 VanDerWaalsContact CZ-C 3.46Å; Y481-Y483 VanDerWaalsContact OH-C 3.31Å; Y483-L525 PolarHBondContact O-N 2.78Å
484A96.6Very high95.8Very high30 Ų3056.9 Ų56.925%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-127.3130.1171.200000110.3Y481 Y524Y481-A484 HydrophobicContact CE2-CB 4.17Å; Y481-A484 WeakPolarHBondContact OH-CB 3.43Å; Y481-A484 PolarHBondContact OH-N 3.4Å; A484-Y524 HydrophobicContact CB-CD1 3.52Å; A484-Y524 HydrophobicContact CB-CE1 3.69Å; A484-Y524 HydrophobicContact CB-CG 4.41Å
485V97.4Very high95.8Very high2 Ų257.7 Ų57.71%0.01234%0.336CS..  trans-96.2152.8166-63.20000109.4F463 Y468 Y500 I518 G523 L525 V543 V560F463-V485 HydrophobicContact CD1-CB 4.31Å; F463-V485 HydrophobicContact CE1-CB 4.03Å; F463-V485 HydrophobicContact CE1-CG2 3.96Å; Y468-V485 HydrophobicContact CD2-CG1 3.82Å; Y468-V485 HydrophobicContact CE2-CB 4.21Å; Y468-V485 HydrophobicContact CE2-CG1 3.84Å; Y468-V485 HydrophobicContact CG-CG1 4.19Å; V485-Y500 HydrophobicContact CG2-CD1 4.36Å; V485-I518 HydrophobicContact CG2-CD1 3.73Å; V485-G523 WeakPolarHBondContact CG2-O 3.39Å; V485-G523 PolarHBondContact N-O 3.36Å; V485-L525 HydrophobicContact CG1-CD1 4.16Å; V485-V543 HydrophobicContact CG1-CG2 4.31Å; V485-V543 HydrophobicContact CG2-CG2 4.34Å; V485-V560 HydrophobicContact CG1-CG2 3.93Å
486S96.6Very high95.9Very high60 Ų6055.4 Ų55.442%0.4233%0.328SS..  trans-142.7136.5179.8177.30000109.5F463 S464 Y468F463-S486 CarbonylContact C-O 3.51Å; F463-S486 WeakPolarHBondContact CA-O 3.24Å; S464-S486 PolarHBondContact N-O 2.94Å; Y468-S486 PolarHBondContact OH-O 2.87Å
487A96.8Very high95.9Very high7 Ų761 Ų616%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-126.8160171.600000110.1R462 F463 L498 Y500 A545R462-A487 CarbonylContact O-C 3.49Å; R462-A487 VanDerWaalsContact O-CA 3.23Å; R462-A487 WeakPolarHBondContact O-CA 3.41Å; F463-A487 HydrophobicContact CD1-CB 4.02Å; F463-A487 HydrophobicContact CD2-CB 4.47Å; F463-A487 HydrophobicContact CE1-CB 4.28Å; F463-A487 HydrophobicContact CG-CB 4.12Å; A487-L498 HydrophobicContact CB-CD1 3.96Å; A487-L498 WeakPolarHBondContact O-CD1 3.23Å; A487-Y500 HydrophobicContact CB-CE1 3.94Å; A487-Y500 PolarHBondContact N-OH 3.4Å; A487-Y500 PolarHBondContact O-OH 3.12Å; A487-A545 HydrophobicContact CB-CB 3.64Å
488T96.7Very high96Very high90 Ų9057.7 Ų57.755%0.55233%0.332SS*.EExtended strand (participates in β ladder)trans-130.6135.7176.454.70000109.1R462R462-T488 PolarHBondContact N-O 2.83Å; R462-T488 PolarHBondContact O-N 2.95Å
489D96.9Very high96Very high26 Ų2656.2 Ų56.214%0.13933%0.326CS..  trans-103.2167.6161-133.9-52.1000111.2P461 A496 L498P461-D489 VanDerWaalsContact CA-OD2 3.24Å; P461-D489 WeakPolarHBondContact CA-OD2 3.19Å; P461-D489 WeakPolarHBondContact CD-OD2 3.3Å; P461-D489 WeakPolarHBondContact CG-OD2 3.38Å; D489-A496 HydrophobicContact CB-CB 3.73Å; D489-L498 HydrophobicContact CB-CD2 4.24Å
490R96.3Very high96.2Very high174 Ų17454.9 Ų54.966%0.65731%0.307SS*.  trans-110.6-25.6-179.8-67.4-174.4164-167-7.2114.1R423 E424 N459R423-R490 PolarHBondContact NH2-O 2.98Å; E424-R490 HydrophobicContact CG-CB 3.64Å; N459-R490 HydrophobicContact CB-CB 4.18Å
491D96.7Very high96.3Very high9 Ų955.4 Ų55.45%0.04831%0.308CS..SBendtrans-66.3-176.7-176.5-593.3000111.2D455 N457 D458 N459 N495 A496D455-D491 WeakPolarHBondContact OD1-CA 3.33Å; N457-D491 VanDerWaalsContact CA-OD2 3.23Å; N457-D491 WeakPolarHBondContact CA-OD2 3.49Å; D458-D491 PolarHBondContact N-OD2 3.25Å; N459-D491 WeakPolarHBondContact CB-OD1 3.33Å; N459-D491 PolarHBondContact N-OD1 2.97Å; N459-D491 PolarHBondContact N-OD2 3.32Å; N459-D491 VanDerWaalsContact N-OD2 3.13Å; N459-D491 PolarHBondContact ND2-OD1 3.1Å; D491-N495 HydrophobicContact CB-CB 3.58Å; D491-A496 WeakPolarHBondContact O-CB 3.44Å
492E94.2Very high96.4Very high104 Ų10450.2 Ų50.249%0.48629%0.288SS..  trans-107.2139-172.7-157.2177.915400114.2R423 D455 A494 N495R423-E492 IonicContact NH1-OE2 2.67Å; R423-E492 PolarHBondContact NH1-OE2 2.89Å; D455-E492 HydrophobicContact CB-CB 3.77Å; D455-E492 VanDerWaalsContact CG-CB 3.47Å; D455-E492 WeakPolarHBondContact OD1-CB 3.39Å; D455-E492 PolarHBondContact OD1-N 3.25Å; D455-E492 PolarHBondContact OD2-N 3.24Å; D455-E492 VanDerWaalsContact OD2-N 3.14Å; E492-A494 PolarHBondContact O-N 3.27Å; E492-N495 PolarHBondContact O-N 3.35Å; E492-N495 VanDerWaalsContact O-N 3.09Å
493G94.2Very high96.4Very high57 Ų5751.7 Ų51.759%0.58830%0.296SS*.THydrogen-bonded Turntrans61.5-112.4168.400000113N495 A496 Q497G493-N495 VanDerWaalsContact C-N 3.34Å; G493-A496 PolarHBondContact O-N 3.02Å; G493-Q497 PolarHBondContact O-N 3.45Å; G493-Q497 VanDerWaalsContact O-N 3.13Å
494A94Very high96.3Very high48 Ų4852.6 Ų52.640%0.39730%0.304SS..THydrogen-bonded Turntrans-69-32.7-179.700000112.6E492 A496 Q497 A548E492-A494 PolarHBondContact O-N 3.27Å; A494-A496 PolarHBondContact O-N 2.54Å; A494-Q497 PolarHBondContact O-N 3.46Å; A494-Q497 VanDerWaalsContact O-N 3.1Å; A494-A548 HydrophobicContact CB-CB 4.34Å; A494-A548 CarbonylContact O-C 3.58Å; A494-A548 WeakPolarHBondContact O-CA 3.29Å; A494-A548 WeakPolarHBondContact O-CB 3.23Å; A494-A548 PolarHBondContact O-N 3.13Å
495N95.1Very high96.2Very high21 Ų2152.9 Ų52.911%0.11230%0.303CS..THydrogen-bonded Turntrans-69.3-20.2178.8-66.7-8.1000111.6D455 N457 D491 E492 G493 D547 G549D455-N495 WeakPolarHBondContact OD2-CB 3.5Å; D455-N495 PolarHBondContact OD2-ND2 3.45Å; N457-N495 HydrophobicContact CB-CB 4.12Å; N457-N495 PolarHBondContact N-ND2 3.36Å; N457-N495 WeakPolarHBondContact OD1-CA 3.03Å; N457-N495 WeakPolarHBondContact OD1-CB 3.45Å; N457-N495 PolarHBondContact OD1-O 3.23Å; D491-N495 HydrophobicContact CB-CB 3.58Å; E492-N495 PolarHBondContact O-N 3.35Å; E492-N495 VanDerWaalsContact O-N 3.09Å; G493-N495 VanDerWaalsContact C-N 3.34Å; N495-D547 WeakPolarHBondContact O-CB 3.47Å; N495-G549 WeakPolarHBondContact OD1-CA 3.37Å
496A95.3Very high96Very high31 Ų3158.5 Ų58.526%0.25633%0.329SS..THydrogen-bonded Turntrans-107.37.6168.900000115.2D489 D491 G493 A494 L498D489-A496 HydrophobicContact CB-CB 3.73Å; D491-A496 WeakPolarHBondContact O-CB 3.44Å; G493-A496 PolarHBondContact O-N 3.02Å; A494-A496 PolarHBondContact O-N 2.54Å; A496-L498 PolarHBondContact O-N 3.49Å
497Q95.5Very high95.8Very high130 Ų13056.2 Ų56.261%0.60731%0.312SS*.  trans-82.8102.2-179.6-173.4175.51.900110.9G493 A494 D547 A548G493-Q497 PolarHBondContact O-N 3.45Å; G493-Q497 VanDerWaalsContact O-N 3.13Å; A494-Q497 PolarHBondContact O-N 3.46Å; A494-Q497 VanDerWaalsContact O-N 3.1Å; Q497-D547 CarbonylContact O-C 3.28Å; Q497-D547 WeakPolarHBondContact O-CA 3.47Å; Q497-A548 HydrophobicContact CB-CB 4.22Å; Q497-A548 PolarHBondContact O-N 3.33Å
498L96.7Very high95.5Very high34 Ų3461 Ų6118%0.17833%0.333CS..  trans-81.1137.4-173.1-58.8-176.8000114.4P461 A487 D489 A496 Y500 R546P461-L498 HydrophobicContact CB-CD2 3.63Å; P461-L498 HydrophobicContact CG-CD2 3.6Å; A487-L498 HydrophobicContact CB-CD1 3.96Å; A487-L498 WeakPolarHBondContact O-CD1 3.23Å; D489-L498 HydrophobicContact CB-CD2 4.24Å; A496-L498 PolarHBondContact O-N 3.49Å; L498-Y500 HydrophobicContact CB-CE2 4.39Å; L498-R546 CarbonylContact C-O 3.56Å; L498-R546 WeakPolarHBondContact CA-O 3.18Å
499A97.3Very high95.2Very high50 Ų5059.8 Ų59.841%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-119.6123164.600000110.2S520 R546A499-S520 WeakPolarHBondContact CA-O 3.24Å; A499-R546 PolarHBondContact N-O 2.66Å; A499-R546 PolarHBondContact O-N 3.45Å
500Y98.1Very high95Very high21 Ų2162.3 Ų62.38%0.08235%0.35CS..EExtended strand (participates in β ladder)trans-90.8140.3177.7-60.7-84.2000111.9F463 V485 A487 L498 S520 E544 A545F463-Y500 HydrophobicContact CE1-CD1 4.16Å; F463-Y500 HydrophobicContact CE1-CE1 4.07Å; F463-Y500 HydrophobicContact CZ-CD1 4.32Å; F463-Y500 HydrophobicContact CZ-CE1 4.5Å; V485-Y500 HydrophobicContact CG2-CD1 4.36Å; A487-Y500 HydrophobicContact CB-CE1 3.94Å; A487-Y500 PolarHBondContact N-OH 3.4Å; A487-Y500 PolarHBondContact O-OH 3.12Å; L498-Y500 HydrophobicContact CB-CE2 4.39Å; Y500-S520 WeakPolarHBondContact CD2-O 3.45Å; Y500-S520 PolarHBondContact N-O 2.94Å; Y500-S520 WeakPolarHBondContact O-CA 3.12Å; Y500-S520 WeakPolarHBondContact O-CB 3.45Å; Y500-E544 CarbonylContact C-O 3.52Å; Y500-E544 WeakPolarHBondContact CA-O 3.5Å; Y500-A545 HydrophobicContact CD1-CB 3.95Å; Y500-A545 HydrophobicContact CE1-CB 3.91Å
501S97.8Very high95Very high43 Ų4355.3 Ų55.330%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-143.6161173.269.40000112V543 E544S501-V543 CarbonylContact O-C 3.6Å; S501-V543 VanDerWaalsContact O-CA 3.3Å; S501-V543 WeakPolarHBondContact O-CA 3.33Å; S501-E544 PolarHBondContact N-O 3.22Å; S501-E544 PolarHBondContact O-N 2.84Å
502I97.8Very high94.9Very high7 Ų754.9 Ų54.94%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-98.5133.4167.9-65.3158.9000107V512 F513 V516 I518 L525 F541 V543I502-V512 HydrophobicContact CG2-CG1 3.73Å; I502-V512 HydrophobicContact CG2-CG2 3.93Å; I502-F513 HydrophobicContact CB-CE1 3.83Å; I502-F513 HydrophobicContact CB-CZ 4.25Å; I502-F513 HydrophobicContact CG2-CE1 4.37Å; I502-F513 WeakPolarHBondContact O-CZ 3.34Å; I502-V516 HydrophobicContact CD1-CG2 4.03Å; I502-I518 HydrophobicContact CD1-CB 3.89Å; I502-I518 HydrophobicContact CD1-CG2 4.04Å; I502-I518 HydrophobicContact CG1-CB 3.94Å; I502-I518 HydrophobicContact CG1-CG2 3.8Å; I502-L525 HydrophobicContact CD1-CD2 4.22Å; I502-L525 HydrophobicContact CG1-CD2 4.49Å; I502-F541 HydrophobicContact CD1-CE2 4.48Å; I502-F541 HydrophobicContact CG1-CD2 4.28Å; I502-F541 HydrophobicContact CG1-CE2 4.23Å; I502-F541 HydrophobicContact CG2-CB 4.39Å; I502-F541 HydrophobicContact CG2-CD2 3.93Å; I502-F541 HydrophobicContact CG2-CG 4.39Å; I502-V543 HydrophobicContact CG1-CG1 4.27Å
503L96.5Very high95Very high57 Ų5754.8 Ų54.830%0.29832%0.324SS..  trans-79.5130.6172.6-60.8-177000109.5C505 Q542 E544L503-C505 PolarHBondContact O-N 2.9Å; L503-C505 VanDerWaalsContact O-N 3.09Å; L503-Q542 HydrophobicContact CB-CB 4.25Å; L503-Q542 HydrophobicContact CD1-CB 3.94Å; L503-Q542 HydrophobicContact CG-CB 4.33Å; L503-Q542 PolarHBondContact N-O 3.02Å; L503-E544 HydrophobicContact CD1-CB 4.48Å; L503-E544 HydrophobicContact CD2-CB 3.92Å; L503-E544 HydrophobicContact CG-CB 4.14Å
504E95.5Very high95.1Very high104 Ų10455.2 Ų55.249%0.48632%0.315SS..  trans-56115.6-179.7171.961.5-150.800111Q506 S511 F513E504-Q506 PolarHBondContact OE1-NE2 3.23Å; E504-S511 WeakPolarHBondContact OE1-CA 3.42Å; E504-S511 VanDerWaalsContact OE1-CB 3.29Å; E504-S511 WeakPolarHBondContact OE1-CB 3.48Å; E504-S511 PolarHBondContact OE1-OG 3.45Å; E504-S511 WeakPolarHBondContact OE2-CB 3.36Å; E504-S511 PolarHBondContact OE2-OG 3.37Å; E504-F513 HydrophobicContact CB-CE2 4.26Å; E504-F513 VanDerWaalsContact OE2-CD2 3.25Å; E504-F513 WeakPolarHBondContact OE2-CD2 3.36Å; E504-F513 WeakPolarHBondContact OE2-CE2 3.24Å
505C95.1Very high95.2Very high35 Ų3553 Ų5324%0.23630%0.297CS..  trans-129.9164.9167.678.30000110.2L503 V512L503-C505 PolarHBondContact O-N 2.9Å; L503-C505 VanDerWaalsContact O-N 3.09Å; C505-V512 PolarHBondContact O-N 3.43Å
506Q92.9Very high95.3Very high121 Ų12152 Ų5257%0.56529%0.291SS*.EExtended strand (participates in β ladder)trans-105.5123-177.4-71.8-73.1-60.100110.5E504 G509 M510E504-Q506 PolarHBondContact OE1-NE2 3.23Å; Q506-G509 VanDerWaalsContact OE1-C 3.26Å; Q506-G509 PolarHBondContact OE1-O 3.38Å; Q506-M510 CarbonylContact C-O 3.53Å; Q506-M510 WeakPolarHBondContact CA-O 3.45Å
507I92.5Very high95.4Very high11 Ų1152.2 Ų52.26%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-118.4119.2176.9-57.3168.6000106.5G509 M510 V512 Y515 L536 F539I507-G509 PolarHBondContact O-N 3.34Å; I507-M510 PolarHBondContact N-O 2.75Å; I507-M510 PolarHBondContact O-N 3.39Å; I507-M510 VanDerWaalsContact O-O 3.12Å; I507-V512 HydrophobicContact CD1-CB 4Å; I507-V512 HydrophobicContact CD1-CG2 3.87Å; I507-Y515 HydrophobicContact CB-CD2 4.08Å; I507-Y515 HydrophobicContact CB-CE2 3.65Å; I507-Y515 HydrophobicContact CD1-CD2 4.15Å; I507-Y515 HydrophobicContact CD1-CG 4.31Å; I507-Y515 HydrophobicContact CG2-CD1 4.32Å; I507-Y515 HydrophobicContact CG2-CD2 4.35Å; I507-Y515 HydrophobicContact CG2-CE1 3.84Å; I507-Y515 HydrophobicContact CG2-CE2 3.86Å; I507-Y515 PolarHBondContact O-OH 3.32Å; I507-Y515 VanDerWaalsContact O-OH 3.13Å; I507-L536 HydrophobicContact CG2-CD1 4.35Å; I507-L536 HydrophobicContact CG2-CD2 4.03Å; I507-F539 HydrophobicContact CD1-CB 3.96Å; I507-F539 HydrophobicContact CD1-CD2 3.38Å; I507-F539 HydrophobicContact CD1-CE2 4.04Å; I507-F539 HydrophobicContact CD1-CG 3.91Å; I507-F539 HydrophobicContact CG1-CB 4.27Å; I507-F539 HydrophobicContact CG2-CB 3.93Å; I507-F539 HydrophobicContact CG2-CG 4.39Å
508Q91.4Very high95.5Very high108 Ų10847.4 Ų47.451%0.50527%0.269SS..THydrogen-bonded Turntrans47.633.4-174.2-57.5179.8-33.700114.9M510 Y515 Q535 L536Q508-M510 VanDerWaalsContact C-N 3.33Å; Q508-Y515 PolarHBondContact OE1-OH 2.83Å; Q508-Q535 PolarHBondContact NE2-O 2.93Å; Q508-L536 HydrophobicContact CG-CD1 4.23Å
509G90Very high95.6Very high64 Ų6448.4 Ų48.466%0.6628%0.275SS*.THydrogen-bonded Turntrans77.214.2-179.600000115.2Q506 I507Q506-G509 VanDerWaalsContact OE1-C 3.26Å; Q506-G509 PolarHBondContact OE1-O 3.38Å; I507-G509 PolarHBondContact O-N 3.34Å
510M92.2Very high95.6Very high79 Ų7949.2 Ų49.239%0.38928%0.277SS..EExtended strand (participates in β ladder)trans-118.9158.1168.7-68.5-177.5-7300110.3Q506 I507 Q508 Y515Q506-M510 CarbonylContact C-O 3.53Å; Q506-M510 WeakPolarHBondContact CA-O 3.45Å; I507-M510 PolarHBondContact N-O 2.75Å; I507-M510 PolarHBondContact O-N 3.39Å; I507-M510 VanDerWaalsContact O-O 3.12Å; Q508-M510 VanDerWaalsContact C-N 3.33Å; M510-Y515 HydrophobicContact CB-CE2 4.08Å; M510-Y515 HydrophobicContact CE-CE2 4.35Å; M510-Y515 VanDerWaalsContact CE-OH 3.31Å; M510-Y515 WeakPolarHBondContact CE-OH 3.44Å
511S95.4Very high95.4Very high27 Ų2756 Ų5619%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-64.8142.5174.3164.50000111.5E504 F513 T514E504-S511 WeakPolarHBondContact OE1-CA 3.42Å; E504-S511 VanDerWaalsContact OE1-CB 3.29Å; E504-S511 WeakPolarHBondContact OE1-CB 3.48Å; E504-S511 PolarHBondContact OE1-OG 3.45Å; E504-S511 WeakPolarHBondContact OE2-CB 3.36Å; E504-S511 PolarHBondContact OE2-OG 3.37Å; S511-F513 PolarHBondContact O-N 2.75Å; S511-F513 WeakPolarHBondContact OG-CD2 3.39Å; S511-F513 PolarHBondContact OG-N 2.77Å; S511-T514 VanDerWaalsContact O-CB 3.29Å; S511-T514 WeakPolarHBondContact O-CB 3.39Å; S511-T514 PolarHBondContact O-N 2.75Å; S511-T514 PolarHBondContact O-OG1 2.89Å
512V96.2Very high95.3Very high0 Ų057 Ų570%031%0.312CS..G310 helixtrans-51.7-33.9171.260.20000113.7I502 C505 I507 T514 Y515 V516 F541I502-V512 HydrophobicContact CG2-CG1 3.73Å; I502-V512 HydrophobicContact CG2-CG2 3.93Å; C505-V512 PolarHBondContact O-N 3.43Å; I507-V512 HydrophobicContact CD1-CB 4Å; I507-V512 HydrophobicContact CD1-CG2 3.87Å; V512-T514 PolarHBondContact O-N 2.91Å; V512-Y515 WeakPolarHBondContact O-CB 3.5Å; V512-Y515 PolarHBondContact O-N 2.78Å; V512-V516 HydrophobicContact CG2-CG2 3.65Å; V512-V516 PolarHBondContact O-N 2.73Å; V512-V516 VanDerWaalsContact O-N 3.08Å; V512-F541 HydrophobicContact CG2-CB 3.75Å; V512-F541 HydrophobicContact CG2-CD1 4.01Å; V512-F541 HydrophobicContact CG2-CG 3.9Å
513F96.3Very high95.3Very high102 Ų10256.7 Ų56.745%0.44731%0.31SS..G310 helixtrans-65.3-6.2175.8-62.3-69.3000113.8I502 E504 S511 V516 L528I502-F513 HydrophobicContact CB-CE1 3.83Å; I502-F513 HydrophobicContact CB-CZ 4.25Å; I502-F513 HydrophobicContact CG2-CE1 4.37Å; I502-F513 WeakPolarHBondContact O-CZ 3.34Å; E504-F513 HydrophobicContact CB-CE2 4.26Å; E504-F513 VanDerWaalsContact OE2-CD2 3.25Å; E504-F513 WeakPolarHBondContact OE2-CD2 3.36Å; E504-F513 WeakPolarHBondContact OE2-CE2 3.24Å; S511-F513 PolarHBondContact O-N 2.75Å; S511-F513 WeakPolarHBondContact OG-CD2 3.39Å; S511-F513 PolarHBondContact OG-N 2.77Å; F513-V516 WeakPolarHBondContact CA-O 3.37Å; F513-L528 WeakPolarHBondContact O-CD1 3.41Å
514T95.4Very high95.3Very high66 Ų6658.6 Ų58.641%0.40531%0.314SS..G310 helixtrans-89.5-11.1171.3-21.30000112.5S511 V512 R529S511-T514 VanDerWaalsContact O-CB 3.29Å; S511-T514 WeakPolarHBondContact O-CB 3.39Å; S511-T514 PolarHBondContact O-N 2.75Å; S511-T514 PolarHBondContact O-OG1 2.89Å; V512-T514 PolarHBondContact O-N 2.91Å; T514-R529 VanDerWaalsContact CB-NH2 3.32Å; T514-R529 VanDerWaalsContact O-CZ 3.25Å; T514-R529 PolarHBondContact O-NE 2.95Å; T514-R529 PolarHBondContact O-NH2 2.92Å
515Y96.5Very high95.4Very high2 Ų253.7 Ų53.71%0.00829%0.291CS..THydrogen-bonded Turntrans-108.3-43.1-178.7-66.8-101.5000111.6I507 Q508 M510 V512 L528 R529 F531 L536I507-Y515 HydrophobicContact CB-CD2 4.08Å; I507-Y515 HydrophobicContact CB-CE2 3.65Å; I507-Y515 HydrophobicContact CD1-CD2 4.15Å; I507-Y515 HydrophobicContact CD1-CG 4.31Å; I507-Y515 HydrophobicContact CG2-CD1 4.32Å; I507-Y515 HydrophobicContact CG2-CD2 4.35Å; I507-Y515 HydrophobicContact CG2-CE1 3.84Å; I507-Y515 HydrophobicContact CG2-CE2 3.86Å; I507-Y515 PolarHBondContact O-OH 3.32Å; I507-Y515 VanDerWaalsContact O-OH 3.13Å; Q508-Y515 PolarHBondContact OE1-OH 2.83Å; M510-Y515 HydrophobicContact CB-CE2 4.08Å; M510-Y515 HydrophobicContact CE-CE2 4.35Å; M510-Y515 VanDerWaalsContact CE-OH 3.31Å; M510-Y515 WeakPolarHBondContact CE-OH 3.44Å; V512-Y515 WeakPolarHBondContact O-CB 3.5Å; V512-Y515 PolarHBondContact O-N 2.78Å; Y515-L528 PolarHBondContact O-N 2.91Å; Y515-R529 VanDerWaalsContact CE1-NH1 3.29Å; Y515-F531 HydrophobicContact CD1-CD1 4.46Å; Y515-F531 AromaticContact CD1-CE1 3.99Å; Y515-F531 HydrophobicContact CD1-CE1 3.99Å; Y515-L536 HydrophobicContact CD1-CD2 4.07Å; Y515-L536 HydrophobicContact CE1-CD2 3.62Å
516V97.3Very high95.6Very high0 Ų055.3 Ų55.30%029%0.293CS..EExtended strand (participates in β ladder)trans-140.4154.6-174.8-70.80000112I482 I502 V512 F513 Y526 F531 F539 F541I482-V516 HydrophobicContact CD1-CG1 3.95Å; I502-V516 HydrophobicContact CD1-CG2 4.03Å; V512-V516 HydrophobicContact CG2-CG2 3.65Å; V512-V516 PolarHBondContact O-N 2.73Å; V512-V516 VanDerWaalsContact O-N 3.08Å; F513-V516 WeakPolarHBondContact CA-O 3.37Å; V516-Y526 CarbonylContact C-O 3.56Å; V516-Y526 VanDerWaalsContact CA-O 3.22Å; V516-Y526 WeakPolarHBondContact CA-O 3.26Å; V516-F531 HydrophobicContact CG1-CZ 4.33Å; V516-F539 HydrophobicContact CG1-CE2 4.11Å; V516-F539 HydrophobicContact CG1-CZ 4.13Å; V516-F541 HydrophobicContact CB-CZ 4.49Å; V516-F541 HydrophobicContact CG1-CE1 4.28Å; V516-F541 HydrophobicContact CG1-CZ 4.49Å; V516-F541 HydrophobicContact CG2-CD1 4.13Å; V516-F541 HydrophobicContact CG2-CE1 3.71Å; V516-F541 HydrophobicContact CG2-CE2 4.39Å; V516-F541 HydrophobicContact CG2-CZ 3.86Å
517S97.4Very high95.8Very high36 Ų3649.5 Ų49.525%0.25227%0.266SS..EExtended strand (participates in β ladder)trans-127.3156.616557.10000110.8L525 Y526S517-L525 WeakPolarHBondContact O-CA 2.83Å; S517-Y526 PolarHBondContact N-O 3.01Å; S517-Y526 PolarHBondContact O-N 3.44Å
518I98Very high96Very high29 Ų2952.7 Ų52.715%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-115.4141.7170.4-163.3162.7000109.6V485 I502 Y524 L525 V543V485-I518 HydrophobicContact CG2-CD1 3.73Å; I502-I518 HydrophobicContact CD1-CB 3.89Å; I502-I518 HydrophobicContact CD1-CG2 4.04Å; I502-I518 HydrophobicContact CG1-CB 3.94Å; I502-I518 HydrophobicContact CG1-CG2 3.8Å; I518-Y524 CarbonylContact C-O 3.57Å; I518-Y524 VanDerWaalsContact CA-O 3.32Å; I518-Y524 WeakPolarHBondContact CA-O 3.38Å; I518-L525 HydrophobicContact CB-CD2 3.94Å; I518-L525 HydrophobicContact CD1-CD2 4.01Å; I518-L525 HydrophobicContact CG1-CD2 4.01Å; I518-V543 HydrophobicContact CD1-CG1 4.02Å
519N97.5Very high96.1Very high55 Ų5550.5 Ų50.529%0.29427%0.269SS..  trans-81.1124.4164.7171.7-46.4000108.7E521 N522 G523 Y524 Y526N519-E521 VanDerWaalsContact C-N 3.29Å; N519-E521 PolarHBondContact O-N 3.06Å; N519-E521 PolarHBondContact OD1-N 2.77Å; N519-N522 WeakPolarHBondContact CB-OD1 3.41Å; N519-N522 PolarHBondContact OD1-N 3.29Å; N519-N522 VanDerWaalsContact OD1-N 3.13Å; N519-N522 PolarHBondContact OD1-OD1 2.96Å; N519-G523 WeakPolarHBondContact O-CA 3.5Å; N519-G523 PolarHBondContact O-N 3.04Å; N519-Y524 PolarHBondContact N-O 2.74Å; N519-Y526 HydrophobicContact CB-CE2 4.25Å
520S97.1Very high96.4Very high66 Ų6649.9 Ų49.946%0.46226%0.255SS..THydrogen-bonded Turntrans-71.1-17-171.252.50000115.1A499 Y500A499-S520 WeakPolarHBondContact CA-O 3.24Å; Y500-S520 WeakPolarHBondContact CD2-O 3.45Å; Y500-S520 PolarHBondContact N-O 2.94Å; Y500-S520 WeakPolarHBondContact O-CA 3.12Å; Y500-S520 WeakPolarHBondContact O-CB 3.45Å
521E95.3Very high96.5Very high165 Ų16546.3 Ų46.377%0.77124%0.237SC*.THydrogen-bonded Turntrans-96.2-39.5-177.9-63.3176177.500111.9N519N519-E521 VanDerWaalsContact C-N 3.29Å; N519-E521 PolarHBondContact O-N 3.06Å; N519-E521 PolarHBondContact OD1-N 2.77Å
522N95.5Very high96.5Very high64 Ų6447.6 Ų47.634%0.34224%0.242SC..THydrogen-bonded Turntrans-112.8-2.8-172.373.38.4000115.2N519 Y524N519-N522 WeakPolarHBondContact CB-OD1 3.41Å; N519-N522 PolarHBondContact OD1-N 3.29Å; N519-N522 VanDerWaalsContact OD1-N 3.13Å; N519-N522 PolarHBondContact OD1-OD1 2.96Å; N522-Y524 VanDerWaalsContact C-N 3.28Å; N522-Y524 HydrophobicContact CB-CD1 4.21Å; N522-Y524 HydrophobicContact CB-CE1 4.37Å; N522-Y524 VanDerWaalsContact O-CD1 3.3Å; N522-Y524 WeakPolarHBondContact O-CD1 3.47Å; N522-Y524 PolarHBondContact O-N 3.24Å; N522-Y524 VanDerWaalsContact OD1-CB 3.23Å; N522-Y524 WeakPolarHBondContact OD1-CB 3.3Å; N522-Y524 PolarHBondContact OD1-N 2.91Å
523G96.6Very high96.6Very high0 Ų049.1 Ų49.10%025%0.248CC..  trans71.714.717800000114.9V485 N519V485-G523 WeakPolarHBondContact CG2-O 3.39Å; V485-G523 PolarHBondContact N-O 3.36Å; N519-G523 WeakPolarHBondContact O-CA 3.5Å; N519-G523 PolarHBondContact O-N 3.04Å
524Y98Very high96.5Very high97 Ų9747.2 Ų47.238%0.3824%0.241SC..EExtended strand (participates in β ladder)trans-78.1129.1-178.3-73.715.9000111.3Y481 A484 I518 N519 N522 Y526Y481-Y524 AromaticContact CD2-CD2 3.8Å; Y481-Y524 HydrophobicContact CD2-CD2 3.8Å; Y481-Y524 HydrophobicContact CD2-CG 4.07Å; Y481-Y524 HydrophobicContact CE2-CD1 4.26Å; Y481-Y524 AromaticContact CE2-CD2 3.72Å; Y481-Y524 HydrophobicContact CE2-CD2 3.72Å; Y481-Y524 HydrophobicContact CE2-CE2 4.2Å; Y481-Y524 AromaticContact CE2-CG 3.76Å; Y481-Y524 HydrophobicContact CE2-CG 3.76Å; A484-Y524 HydrophobicContact CB-CD1 3.52Å; A484-Y524 HydrophobicContact CB-CE1 3.69Å; A484-Y524 HydrophobicContact CB-CG 4.41Å; I518-Y524 CarbonylContact C-O 3.57Å; I518-Y524 VanDerWaalsContact CA-O 3.32Å; I518-Y524 WeakPolarHBondContact CA-O 3.38Å; N519-Y524 PolarHBondContact N-O 2.74Å; N522-Y524 VanDerWaalsContact C-N 3.28Å; N522-Y524 HydrophobicContact CB-CD1 4.21Å; N522-Y524 HydrophobicContact CB-CE1 4.37Å; N522-Y524 VanDerWaalsContact O-CD1 3.3Å; N522-Y524 WeakPolarHBondContact O-CD1 3.47Å; N522-Y524 PolarHBondContact O-N 3.24Å; N522-Y524 VanDerWaalsContact OD1-CB 3.23Å; N522-Y524 WeakPolarHBondContact OD1-CB 3.3Å; N522-Y524 PolarHBondContact OD1-N 2.91Å; Y524-Y526 WeakPolarHBondContact O-CD2 3.13Å
525L97.8Very high96.4Very high0 Ų050.5 Ų50.50%025%0.251CS..EExtended strand (participates in β ladder)trans-92.7133.5175.3-68.6168.3000110.7I482 Y483 V485 I502 S517 I518 F541 V560I482-L525 HydrophobicContact CD1-CB 4.26Å; I482-L525 HydrophobicContact CG1-CB 3.87Å; I482-L525 WeakPolarHBondContact CG1-O 3.46Å; I482-L525 PolarHBondContact N-O 3.13Å; Y483-L525 PolarHBondContact O-N 2.78Å; V485-L525 HydrophobicContact CG1-CD1 4.16Å; I502-L525 HydrophobicContact CD1-CD2 4.22Å; I502-L525 HydrophobicContact CG1-CD2 4.49Å; S517-L525 WeakPolarHBondContact O-CA 2.83Å; I518-L525 HydrophobicContact CB-CD2 3.94Å; I518-L525 HydrophobicContact CD1-CD2 4.01Å; I518-L525 HydrophobicContact CG1-CD2 4.01Å; L525-F541 HydrophobicContact CD1-CE2 4.31Å; L525-F541 HydrophobicContact CD1-CZ 4.1Å; L525-F541 HydrophobicContact CD2-CE2 3.88Å; L525-F541 HydrophobicContact CD2-CZ 4Å; L525-V560 HydrophobicContact CD1-CG1 3.94Å; L525-V560 HydrophobicContact CD1-CG2 4.17Å
526Y97.9Very high96.3Very high69 Ų6951.5 Ų51.527%0.27126%0.257SS..EExtended strand (participates in β ladder)trans-122.9135.1177.1-62.2-95.2000110.1A480 V516 S517 N519 Y524A480-Y526 CarbonylContact O-C 3.56Å; A480-Y526 VanDerWaalsContact O-CA 3.22Å; A480-Y526 WeakPolarHBondContact O-CA 3.43Å; V516-Y526 CarbonylContact C-O 3.56Å; V516-Y526 VanDerWaalsContact CA-O 3.22Å; V516-Y526 WeakPolarHBondContact CA-O 3.26Å; S517-Y526 PolarHBondContact N-O 3.01Å; S517-Y526 PolarHBondContact O-N 3.44Å; N519-Y526 HydrophobicContact CB-CE2 4.25Å; Y524-Y526 WeakPolarHBondContact O-CD2 3.13Å
527A97.3Very high96.2Very high0 Ų055.3 Ų55.30%027%0.273CS..EExtended strand (participates in β ladder)trans-78126.7170.100000109.6N476 G479 A480 I482 F531N476-A527 WeakPolarHBondContact ND2-CB 3.31Å; G479-A527 VanDerWaalsContact CA-O 3.31Å; G479-A527 WeakPolarHBondContact CA-O 3.45Å; G479-A527 PolarHBondContact N-O 2.96Å; A480-A527 PolarHBondContact O-N 2.88Å; I482-A527 HydrophobicContact CD1-CB 4.41Å; I482-A527 HydrophobicContact CG2-CB 3.75Å; A527-F531 HydrophobicContact CB-CE2 3.63Å; A527-F531 HydrophobicContact CB-CZ 3.82Å
528L95.9Very high96.1Very high77 Ų7758.4 Ų58.440%0.40329%0.287SS..  trans-92.1-7.3-178.7-65.9177.9000113.7F513 Y515F513-L528 WeakPolarHBondContact O-CD1 3.41Å; Y515-L528 PolarHBondContact O-N 2.91Å
529R93.9Very high96.1Very high63 Ų6357.4 Ų57.424%0.23828%0.281CS..SBendtrans-138.9164.8177.76417765.4-171.2-3110.4N476 T514 Y515 F531N476-R529 PolarHBondContact ND2-O 3.28Å; T514-R529 VanDerWaalsContact CB-NH2 3.32Å; T514-R529 VanDerWaalsContact O-CZ 3.25Å; T514-R529 PolarHBondContact O-NE 2.95Å; T514-R529 PolarHBondContact O-NH2 2.92Å; Y515-R529 VanDerWaalsContact CE1-NH1 3.29Å; R529-F531 HydrophobicContact CG-CD1 3.74Å; R529-F531 HydrophobicContact CG-CE1 3.48Å; R529-F531 VanDerWaalsContact CG-CE1 3.48Å; R529-F531 HydrophobicContact CG-CZ 4.35Å
530S95.9Very high96Very high51 Ų5157.9 Ų57.936%0.35729%0.289SS..  trans-71.5130.6158.3-169.90000107.8N475 N476N475-S530 VanDerWaalsContact CA-OG 3.28Å; N475-S530 WeakPolarHBondContact CA-OG 3.29Å; N476-S530 WeakPolarHBondContact O-CA 3.13Å; N476-S530 WeakPolarHBondContact O-CB 3.23Å; N476-S530 PolarHBondContact O-OG 3.31Å
531F95.8Very high96.1Very high4 Ų455 Ų552%0.01827%0.268CS..  trans-89.4152169.7-54.6-55.1000110.3V472 N475 N476 Y515 V516 A527 R529 F539 I564V472-F531 HydrophobicContact CB-CD2 4.49Å; V472-F531 HydrophobicContact CG1-CD2 3.91Å; V472-F531 HydrophobicContact CG1-CE2 4.11Å; N475-F531 PolarHBondContact N-O 2.84Å; N476-F531 WeakPolarHBondContact OD1-CD2 3.16Å; N476-F531 PolarHBondContact OD1-N 2.97Å; Y515-F531 HydrophobicContact CD1-CD1 4.46Å; Y515-F531 AromaticContact CD1-CE1 3.99Å; Y515-F531 HydrophobicContact CD1-CE1 3.99Å; V516-F531 HydrophobicContact CG1-CZ 4.33Å; A527-F531 HydrophobicContact CB-CE2 3.63Å; A527-F531 HydrophobicContact CB-CZ 3.82Å; R529-F531 HydrophobicContact CG-CD1 3.74Å; R529-F531 HydrophobicContact CG-CE1 3.48Å; R529-F531 VanDerWaalsContact CG-CE1 3.48Å; R529-F531 HydrophobicContact CG-CZ 4.35Å; F531-F539 HydrophobicContact CD1-CE1 4.17Å; F531-F539 AromaticContact CE1-CE1 3.83Å; F531-F539 HydrophobicContact CE1-CE1 3.83Å; F531-F539 AromaticContact CE1-CZ 3.8Å; F531-F539 HydrophobicContact CE1-CZ 3.8Å; F531-F539 HydrophobicContact CE2-CE1 4.43Å; F531-F539 HydrophobicContact CE2-CZ 4.3Å; F531-F539 AromaticContact CZ-CE1 3.99Å; F531-F539 HydrophobicContact CZ-CE1 3.99Å; F531-F539 AromaticContact CZ-CZ 3.65Å; F531-F539 HydrophobicContact CZ-CZ 3.65Å; F531-I564 HydrophobicContact CB-CD1 3.59Å; F531-I564 HydrophobicContact CB-CG1 3.97Å; F531-I564 HydrophobicContact CB-CG2 4.26Å; F531-I564 HydrophobicContact CD1-CD1 4.28Å; F531-I564 HydrophobicContact CD2-CD1 4.33Å; F531-I564 HydrophobicContact CD2-CG1 4.28Å; F531-I564 HydrophobicContact CG-CD1 3.82Å; F531-I564 HydrophobicContact CG-CG1 4.22Å
532D96Very high96.2Very high53 Ų5351 Ų5128%0.28325%0.25SC..  trans-131.8121.7-176.1162.3-42.3000104.5E474 E534 Q535 L536E474-D532 WeakPolarHBondContact OE1-CA 3.11Å; D532-E534 PolarHBondContact OD1-N 3.49Å; D532-Q535 HydrophobicContact CB-CB 4.37Å; D532-Q535 VanDerWaalsContact OD1-CB 3.23Å; D532-Q535 WeakPolarHBondContact OD1-CB 3.11Å; D532-Q535 VanDerWaalsContact OD1-CG 3.23Å; D532-Q535 WeakPolarHBondContact OD1-CG 3.31Å; D532-Q535 PolarHBondContact OD1-N 3.46Å; D532-Q535 PolarHBondContact OD2-NE2 3.06Å; D532-L536 PolarHBondContact O-N 3.03Å
533Y96.3Very high96.3Very high33 Ų3348 Ų4813%0.12923%0.234CC..THydrogen-bonded Turntrans-77.7-35.8-168.6178.1-101.8000111.3E474 Q535 L536 K537 I564 D566 D610E474-Y533 WeakPolarHBondContact OE1-CB 2.8Å; E474-Y533 PolarHBondContact OE1-N 2.97Å; E474-Y533 VanDerWaalsContact OE2-CB 3.26Å; E474-Y533 WeakPolarHBondContact OE2-CB 3.23Å; Y533-Q535 PolarHBondContact O-N 2.9Å; Y533-L536 CarbonylContact O-C 3.6Å; Y533-L536 PolarHBondContact O-N 3.11Å; Y533-K537 HydrophobicContact CD2-CB 4.24Å; Y533-K537 HydrophobicContact CD2-CG 3.94Å; Y533-K537 HydrophobicContact CE1-CD 4.05Å; Y533-K537 HydrophobicContact CE1-CG 4.28Å; Y533-K537 HydrophobicContact CE2-CB 3.9Å; Y533-K537 HydrophobicContact CE2-CD 3.94Å; Y533-K537 HydrophobicContact CE2-CG 3.66Å; Y533-K537 HydrophobicContact CG-CG 4.35Å; Y533-K537 VanDerWaalsContact O-CG 3.24Å; Y533-K537 WeakPolarHBondContact O-CG 3.47Å; Y533-K537 PolarHBondContact OH-NZ 2.59Å; Y533-I564 HydrophobicContact CD2-CB 4.28Å; Y533-I564 HydrophobicContact CD2-CG2 4.06Å; Y533-I564 VanDerWaalsContact CD2-O 3.27Å; Y533-I564 WeakPolarHBondContact CD2-O 3.36Å; Y533-I564 VanDerWaalsContact CE2-O 3.26Å; Y533-I564 WeakPolarHBondContact CE2-O 3.34Å; Y533-D566 HydrophobicContact CD1-CB 3.61Å; Y533-D566 HydrophobicContact CD2-CB 4.16Å; Y533-D566 HydrophobicContact CE1-CB 3.62Å; Y533-D566 HydrophobicContact CE2-CB 4.18Å; Y533-D566 HydrophobicContact CG-CB 3.9Å; Y533-D610 HydrophobicContact CE1-CB 3.71Å; Y533-D610 PolarHBondContact OH-OD2 3.04Å
534E95.3Very high96.3Very high62 Ų6249.7 Ų49.729%0.2924%0.241SC..THydrogen-bonded Turntrans-61.2-33.1174.7-74.753.9-106.900111.2D532 N570 A608 D609D532-E534 PolarHBondContact OD1-N 3.49Å; E534-N570 PolarHBondContact OE2-ND2 3.26Å; E534-A608 HydrophobicContact CG-CB 3.91Å; E534-D609 WeakPolarHBondContact OE1-CA 3.27Å
535Q94Very high96.3Very high135 Ų13545 Ų4563%0.63122%0.223SC*.THydrogen-bonded Turntrans-87-39.8176.2-69.6-176.955.200113.3Q508 D532 Y533Q508-Q535 PolarHBondContact NE2-O 2.93Å; D532-Q535 HydrophobicContact CB-CB 4.37Å; D532-Q535 VanDerWaalsContact OD1-CB 3.23Å; D532-Q535 WeakPolarHBondContact OD1-CB 3.11Å; D532-Q535 VanDerWaalsContact OD1-CG 3.23Å; D532-Q535 WeakPolarHBondContact OD1-CG 3.31Å; D532-Q535 PolarHBondContact OD1-N 3.46Å; D532-Q535 PolarHBondContact OD2-NE2 3.06Å; Y533-Q535 PolarHBondContact O-N 2.9Å
536L93.6Very high96.3Very high23 Ų2349.4 Ų49.412%0.1224%0.24CC..  trans-148.2104.2-172.7-174.364.8000111.3I507 Q508 Y515 D532 Y533 D538 F539 I564I507-L536 HydrophobicContact CG2-CD1 4.35Å; I507-L536 HydrophobicContact CG2-CD2 4.03Å; Q508-L536 HydrophobicContact CG-CD1 4.23Å; Y515-L536 HydrophobicContact CD1-CD2 4.07Å; Y515-L536 HydrophobicContact CE1-CD2 3.62Å; D532-L536 PolarHBondContact O-N 3.03Å; Y533-L536 CarbonylContact O-C 3.6Å; Y533-L536 PolarHBondContact O-N 3.11Å; L536-D538 WeakPolarHBondContact CD1-O 3.3Å; L536-F539 HydrophobicContact CD2-CD1 3.6Å; L536-F539 HydrophobicContact CD2-CE1 4.13Å; L536-F539 HydrophobicContact CD2-CG 4.36Å; L536-F539 HydrophobicContact CG-CD1 4.14Å; L536-I564 HydrophobicContact CB-CD1 4.41Å; L536-I564 HydrophobicContact CD2-CD1 4.42Å; L536-I564 HydrophobicContact CG-CD1 4.2Å; L536-I564 WeakPolarHBondContact O-CD1 3.14Å
537K95.2Very high96.2Very high80 Ų8046.4 Ų46.435%0.34823%0.228SC..SBendtrans-82-34.3179.7-60.6-168.7173.7-133.70113.8Y533 I564 D610Y533-K537 HydrophobicContact CD2-CB 4.24Å; Y533-K537 HydrophobicContact CD2-CG 3.94Å; Y533-K537 HydrophobicContact CE1-CD 4.05Å; Y533-K537 HydrophobicContact CE1-CG 4.28Å; Y533-K537 HydrophobicContact CE2-CB 3.9Å; Y533-K537 HydrophobicContact CE2-CD 3.94Å; Y533-K537 HydrophobicContact CE2-CG 3.66Å; Y533-K537 HydrophobicContact CG-CG 4.35Å; Y533-K537 VanDerWaalsContact O-CG 3.24Å; Y533-K537 WeakPolarHBondContact O-CG 3.47Å; Y533-K537 PolarHBondContact OH-NZ 2.59Å; K537-I564 PolarHBondContact O-N 3.41Å; K537-D610 IonicContact NZ-OD2 3.77Å; K537-D610 PolarHBondContact NZ-OD2 3.04Å
538D96.2Very high96.1Very high100 Ų10049 Ų4954%0.53525%0.249SC..EExtended strand (participates in β ladder)trans-147.3158177.868.776.5000111.9L536 I562 L563L536-D538 WeakPolarHBondContact CD1-O 3.3Å; D538-I562 VanDerWaalsContact CA-O 3.26Å; D538-I562 WeakPolarHBondContact CA-O 3.45Å; D538-L563 HydrophobicContact CB-CD2 3.9Å
539F96.5Very high95.7Very high8 Ų845.8 Ų45.84%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-153.5151.8162.659.7-87000111I507 V516 F531 L536 F541 I562 I564I507-F539 HydrophobicContact CD1-CB 3.96Å; I507-F539 HydrophobicContact CD1-CD2 3.38Å; I507-F539 HydrophobicContact CD1-CE2 4.04Å; I507-F539 HydrophobicContact CD1-CG 3.91Å; I507-F539 HydrophobicContact CG1-CB 4.27Å; I507-F539 HydrophobicContact CG2-CB 3.93Å; I507-F539 HydrophobicContact CG2-CG 4.39Å; V516-F539 HydrophobicContact CG1-CE2 4.11Å; V516-F539 HydrophobicContact CG1-CZ 4.13Å; F531-F539 HydrophobicContact CD1-CE1 4.17Å; F531-F539 AromaticContact CE1-CE1 3.83Å; F531-F539 HydrophobicContact CE1-CE1 3.83Å; F531-F539 AromaticContact CE1-CZ 3.8Å; F531-F539 HydrophobicContact CE1-CZ 3.8Å; F531-F539 HydrophobicContact CE2-CE1 4.43Å; F531-F539 HydrophobicContact CE2-CZ 4.3Å; F531-F539 AromaticContact CZ-CE1 3.99Å; F531-F539 HydrophobicContact CZ-CE1 3.99Å; F531-F539 AromaticContact CZ-CZ 3.65Å; F531-F539 HydrophobicContact CZ-CZ 3.65Å; L536-F539 HydrophobicContact CD2-CD1 3.6Å; L536-F539 HydrophobicContact CD2-CE1 4.13Å; L536-F539 HydrophobicContact CD2-CG 4.36Å; L536-F539 HydrophobicContact CG-CD1 4.14Å; F539-F541 AromaticContact CD2-CD1 3.95Å; F539-F541 HydrophobicContact CD2-CD1 3.95Å; F539-F541 HydrophobicContact CD2-CE1 4.2Å; F539-F541 AromaticContact CE2-CD1 3.94Å; F539-F541 HydrophobicContact CE2-CD1 3.94Å; F539-F541 AromaticContact CE2-CE1 3.77Å; F539-F541 HydrophobicContact CE2-CE1 3.77Å; F539-I562 HydrophobicContact CD1-CB 4Å; F539-I562 HydrophobicContact CD1-CG2 4.28Å; F539-I562 HydrophobicContact CD2-CB 4.12Å; F539-I562 HydrophobicContact CD2-CG1 4.02Å; F539-I562 HydrophobicContact CE1-CB 3.69Å; F539-I562 HydrophobicContact CE1-CG1 4.19Å; F539-I562 HydrophobicContact CE1-CG2 3.61Å; F539-I562 HydrophobicContact CE2-CB 3.85Å; F539-I562 HydrophobicContact CE2-CG1 3.48Å; F539-I562 VanDerWaalsContact CE2-CG1 3.48Å; F539-I562 HydrophobicContact CE2-CG2 4.44Å; F539-I562 HydrophobicContact CG-CB 4.22Å; F539-I562 HydrophobicContact CZ-CB 3.63Å; F539-I562 HydrophobicContact CZ-CG1 3.57Å; F539-I562 HydrophobicContact CZ-CG2 3.72Å; F539-I562 PolarHBondContact N-O 2.97Å; F539-I562 PolarHBondContact O-N 2.88Å; F539-I564 HydrophobicContact CD1-CD1 4.2Å; F539-I564 HydrophobicContact CE1-CD1 3.99Å
540S97Very high95.4Very high66 Ų6647.6 Ų47.646%0.46226%0.258SS..EExtended strand (participates in β ladder)trans-124.7144.4177.853.20000112.3V560 N561S540-V560 VanDerWaalsContact CA-O 3.3Å; S540-V560 WeakPolarHBondContact CA-O 3.2Å; S540-N561 WeakPolarHBondContact CB-OD1 3.23Å
541F97.2Very high94.8Very high4 Ų451.3 Ų51.32%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-142.6157.9174.156.2-92000110.6I502 V512 V516 L525 F539 V543 V560 I562I502-F541 HydrophobicContact CD1-CE2 4.48Å; I502-F541 HydrophobicContact CG1-CD2 4.28Å; I502-F541 HydrophobicContact CG1-CE2 4.23Å; I502-F541 HydrophobicContact CG2-CB 4.39Å; I502-F541 HydrophobicContact CG2-CD2 3.93Å; I502-F541 HydrophobicContact CG2-CG 4.39Å; V512-F541 HydrophobicContact CG2-CB 3.75Å; V512-F541 HydrophobicContact CG2-CD1 4.01Å; V512-F541 HydrophobicContact CG2-CG 3.9Å; V516-F541 HydrophobicContact CB-CZ 4.49Å; V516-F541 HydrophobicContact CG1-CE1 4.28Å; V516-F541 HydrophobicContact CG1-CZ 4.49Å; V516-F541 HydrophobicContact CG2-CD1 4.13Å; V516-F541 HydrophobicContact CG2-CE1 3.71Å; V516-F541 HydrophobicContact CG2-CE2 4.39Å; V516-F541 HydrophobicContact CG2-CZ 3.86Å; L525-F541 HydrophobicContact CD1-CE2 4.31Å; L525-F541 HydrophobicContact CD1-CZ 4.1Å; L525-F541 HydrophobicContact CD2-CE2 3.88Å; L525-F541 HydrophobicContact CD2-CZ 4Å; F539-F541 AromaticContact CD2-CD1 3.95Å; F539-F541 HydrophobicContact CD2-CD1 3.95Å; F539-F541 HydrophobicContact CD2-CE1 4.2Å; F539-F541 AromaticContact CE2-CD1 3.94Å; F539-F541 HydrophobicContact CE2-CD1 3.94Å; F539-F541 AromaticContact CE2-CE1 3.77Å; F539-F541 HydrophobicContact CE2-CE1 3.77Å; F541-V543 HydrophobicContact CD2-CG1 4.07Å; F541-V543 HydrophobicContact CE2-CG1 3.82Å; F541-V560 HydrophobicContact CD2-CB 4.19Å; F541-V560 HydrophobicContact CE1-CB 4.33Å; F541-V560 HydrophobicContact CE1-CG1 4.3Å; F541-V560 HydrophobicContact CE2-CB 3.73Å; F541-V560 HydrophobicContact CE2-CG1 4.19Å; F541-V560 HydrophobicContact CE2-CG2 4.02Å; F541-V560 HydrophobicContact CZ-CB 3.8Å; F541-V560 HydrophobicContact CZ-CG1 3.79Å; F541-V560 HydrophobicContact CZ-CG2 4.45Å; F541-V560 PolarHBondContact N-O 2.87Å; F541-V560 PolarHBondContact O-N 2.9Å; F541-I562 HydrophobicContact CE1-CD1 4.03Å; F541-I562 HydrophobicContact CE1-CG1 3.61Å; F541-I562 HydrophobicContact CZ-CD1 4.25Å; F541-I562 HydrophobicContact CZ-CG1 4.33Å
542Q97.6Very high94.5Very high83 Ų8358.1 Ų58.139%0.38831%0.312SS..EExtended strand (participates in β ladder)trans-95.5134.4173.6-70.6-175.8-3.500109.9L503 N557 A558L503-Q542 HydrophobicContact CB-CB 4.25Å; L503-Q542 HydrophobicContact CD1-CB 3.94Å; L503-Q542 HydrophobicContact CG-CB 4.33Å; L503-Q542 PolarHBondContact N-O 3.02Å; Q542-N557 PolarHBondContact OE1-ND2 3.05Å; Q542-A558 CarbonylContact C-O 3.53Å; Q542-A558 VanDerWaalsContact CA-O 3.32Å; Q542-A558 WeakPolarHBondContact CA-O 3.22Å
543V97.7Very high94.4Very high0 Ų057.5 Ų57.50%032%0.315CS..EExtended strand (participates in β ladder)trans-98.7140.8164.9-67.50000108.7F463 V485 S501 I502 I518 F541 N557 A558 V560F463-V543 HydrophobicContact CD1-CG2 4.44Å; F463-V543 HydrophobicContact CE1-CB 4.47Å; F463-V543 HydrophobicContact CE1-CG2 3.68Å; F463-V543 HydrophobicContact CE2-CG2 4.3Å; F463-V543 HydrophobicContact CZ-CB 4.11Å; F463-V543 HydrophobicContact CZ-CG2 3.59Å; V485-V543 HydrophobicContact CG1-CG2 4.31Å; V485-V543 HydrophobicContact CG2-CG2 4.34Å; S501-V543 CarbonylContact O-C 3.6Å; S501-V543 VanDerWaalsContact O-CA 3.3Å; S501-V543 WeakPolarHBondContact O-CA 3.33Å; I502-V543 HydrophobicContact CG1-CG1 4.27Å; I518-V543 HydrophobicContact CD1-CG1 4.02Å; F541-V543 HydrophobicContact CD2-CG1 4.07Å; F541-V543 HydrophobicContact CE2-CG1 3.82Å; V543-N557 CarbonylContact O-C 3.52Å; V543-N557 WeakPolarHBondContact O-CA 3.45Å; V543-N557 WeakPolarHBondContact O-CB 3.28Å; V543-A558 HydrophobicContact CG2-CB 4.01Å; V543-A558 WeakPolarHBondContact CG2-O 3.44Å; V543-A558 PolarHBondContact N-O 2.76Å; V543-A558 PolarHBondContact O-N 2.83Å; V543-V560 HydrophobicContact CG1-CG2 3.91Å; V543-V560 HydrophobicContact CG2-CG2 3.98Å
544E97.9Very high94.4Very high35 Ų3558.4 Ų58.416%0.16432%0.322CS..EExtended strand (participates in β ladder)trans-112.6135.5173.1-176.1-177.388.900108.7Y500 S501 L503 R546 A555 G556Y500-E544 CarbonylContact C-O 3.52Å; Y500-E544 WeakPolarHBondContact CA-O 3.5Å; S501-E544 PolarHBondContact N-O 3.22Å; S501-E544 PolarHBondContact O-N 2.84Å; L503-E544 HydrophobicContact CD1-CB 4.48Å; L503-E544 HydrophobicContact CD2-CB 3.92Å; L503-E544 HydrophobicContact CG-CB 4.14Å; E544-R546 IonicContact OE1-CZ 3.38Å; E544-R546 IonicContact OE1-NE 2.67Å; E544-R546 PolarHBondContact OE1-NE 3.17Å; E544-R546 IonicContact OE1-NH2 3.27Å; E544-R546 PolarHBondContact OE1-NH2 2.84Å; E544-R546 IonicContact OE2-CZ 3.69Å; E544-R546 IonicContact OE2-NH2 3.66Å; E544-R546 PolarHBondContact OE2-NH2 3.35Å; E544-A555 HydrophobicContact CG-CB 3.83Å; E544-G556 WeakPolarHBondContact CA-O 3.27Å
545A97.7Very high94.4Very high0 Ų057.2 Ų57.20%032%0.322CS..EExtended strand (participates in β ladder)trans-111.7128165.100000107.2P461 F463 A487 Y500 A555 G556P461-A545 HydrophobicContact CB-CB 3.93Å; P461-A545 WeakPolarHBondContact CB-O 3.06Å; F463-A545 HydrophobicContact CD2-CB 4.44Å; F463-A545 HydrophobicContact CE1-CB 4.26Å; F463-A545 HydrophobicContact CE2-CB 3.65Å; F463-A545 HydrophobicContact CZ-CB 3.53Å; A487-A545 HydrophobicContact CB-CB 3.64Å; Y500-A545 HydrophobicContact CD1-CB 3.95Å; Y500-A545 HydrophobicContact CE1-CB 3.91Å; A545-A555 CarbonylContact O-C 3.53Å; A545-A555 WeakPolarHBondContact O-CA 3.46Å; A545-A555 WeakPolarHBondContact O-CB 3.42Å; A545-G556 PolarHBondContact N-O 2.73Å; A545-G556 PolarHBondContact O-N 3.46Å
546R97.2Very high94.5Very high91 Ų9151.7 Ų51.734%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-130.1136-173.2173.7174.2-61.2-72.8-2.6109.4L498 A499 E544 A553 L554 A555L498-R546 CarbonylContact C-O 3.56Å; L498-R546 WeakPolarHBondContact CA-O 3.18Å; A499-R546 PolarHBondContact N-O 2.66Å; A499-R546 PolarHBondContact O-N 3.45Å; E544-R546 IonicContact OE1-CZ 3.38Å; E544-R546 IonicContact OE1-NE 2.67Å; E544-R546 PolarHBondContact OE1-NE 3.17Å; E544-R546 IonicContact OE1-NH2 3.27Å; E544-R546 PolarHBondContact OE1-NH2 2.84Å; E544-R546 IonicContact OE2-CZ 3.69Å; E544-R546 IonicContact OE2-NH2 3.66Å; E544-R546 PolarHBondContact OE2-NH2 3.35Å; R546-A553 HydrophobicContact CG-CB 4.45Å; R546-L554 WeakPolarHBondContact CA-O 3.25Å; R546-A555 HydrophobicContact CB-CB 4.08Å; R546-A555 HydrophobicContact CG-CB 4.41Å
547D96.9Very high94.6Very high7 Ų755 Ų554%0.03732%0.319CS..  trans-76177.5173.96152.2000112.4N457 P461 N495 Q497 G549 A553 L554N457-D547 VanDerWaalsContact ND2-CG 3.31Å; N457-D547 PolarHBondContact ND2-OD1 2.88Å; N457-D547 PolarHBondContact ND2-OD2 2.85Å; N457-D547 PolarHBondContact OD1-OD2 3.11Å; P461-D547 HydrophobicContact CG-CB 4.25Å; N495-D547 WeakPolarHBondContact O-CB 3.47Å; Q497-D547 CarbonylContact O-C 3.28Å; Q497-D547 WeakPolarHBondContact O-CA 3.47Å; D547-G549 WeakPolarHBondContact OD1-CA 3.06Å; D547-G549 PolarHBondContact OD1-N 3.02Å; D547-A553 WeakPolarHBondContact OD1-CA 3.3Å; D547-A553 WeakPolarHBondContact OD1-CB 3.45Å; D547-L554 VanDerWaalsContact CG-N 3.34Å; D547-L554 PolarHBondContact N-O 2.85Å; D547-L554 PolarHBondContact OD1-N 2.8Å; D547-L554 VanDerWaalsContact OD1-N 3.16Å; D547-L554 WeakPolarHBondContact OD2-CA 3.5Å; D547-L554 WeakPolarHBondContact OD2-CB 3.34Å; D547-L554 PolarHBondContact OD2-N 2.87Å; D547-L554 VanDerWaalsContact OD2-O 3.13Å
548A94.4Very high94.8Very high53 Ų5351.4 Ų51.444%0.43830%0.304SS..  trans-101.527171.200000112.5A494 Q497A494-A548 HydrophobicContact CB-CB 4.34Å; A494-A548 CarbonylContact O-C 3.58Å; A494-A548 WeakPolarHBondContact O-CA 3.29Å; A494-A548 WeakPolarHBondContact O-CB 3.23Å; A494-A548 PolarHBondContact O-N 3.13Å; Q497-A548 HydrophobicContact CB-CB 4.22Å; Q497-A548 PolarHBondContact O-N 3.33Å
549G88.6Confident94.8Very high10 Ų1048.5 Ų48.510%0.10329%0.29CS..  trans-65.1142.3-171.600000114.8N495 D547 Q552 A553N495-G549 WeakPolarHBondContact OD1-CA 3.37Å; D547-G549 WeakPolarHBondContact OD1-CA 3.06Å; D547-G549 PolarHBondContact OD1-N 3.02Å; G549-Q552 CarbonylContact O-C 3.55Å; G549-A553 PolarHBondContact O-N 2.86Å
550S85.5Confident94.9Very high102 Ų10248.1 Ų48.171%0.71329%0.288SS*.SBendtrans-135.4128.5-179.5-179.70000110.1
551P84.8Confident94.9Very high128 Ų12847 Ų4783%0.83128%0.277SS*.SBendcis-89-3.114.735.3-37.6000115.5
552Q88.7Confident94.9Very high147 Ų14746.8 Ų46.869%0.68728%0.276SS*.  trans-132.3112.2-178.5-67-175.7400109.9N457 G549N457-Q552 PolarHBondContact ND2-O 3.41Å; G549-Q552 CarbonylContact O-C 3.55Å
553A94.2Very high94.9Very high41 Ų4145 Ų4534%0.33927%0.269SS..  trans-80.6128.6172.500000110.6R546 D547 G549R546-A553 HydrophobicContact CG-CB 4.45Å; D547-A553 WeakPolarHBondContact OD1-CA 3.3Å; D547-A553 WeakPolarHBondContact OD1-CB 3.45Å; G549-A553 PolarHBondContact O-N 2.86Å
554L96Very high94.9Very high52 Ų5245.5 Ų45.527%0.27227%0.272SS..  trans-91.4165.6175.3-57.8171.9000109.8N457 N459 A460 R546 D547N457-L554 WeakPolarHBondContact ND2-CG 3.36Å; N457-L554 PolarHBondContact ND2-N 3.32Å; N459-L554 VanDerWaalsContact O-CD1 3.24Å; N459-L554 WeakPolarHBondContact O-CD1 3.3Å; A460-L554 HydrophobicContact CB-CB 3.94Å; A460-L554 HydrophobicContact CB-CD1 4.4Å; R546-L554 WeakPolarHBondContact CA-O 3.25Å; D547-L554 VanDerWaalsContact CG-N 3.34Å; D547-L554 PolarHBondContact N-O 2.85Å; D547-L554 PolarHBondContact OD1-N 2.8Å; D547-L554 VanDerWaalsContact OD1-N 3.16Å; D547-L554 WeakPolarHBondContact OD2-CA 3.5Å; D547-L554 WeakPolarHBondContact OD2-CB 3.34Å; D547-L554 PolarHBondContact OD2-N 2.87Å; D547-L554 VanDerWaalsContact OD2-O 3.13Å
555A96.1Very high94.8Very high36 Ų3646.2 Ų46.230%0.29828%0.279SS..EExtended strand (participates in β ladder)trans-156.2142.2179.800000111.1E544 A545 R546E544-A555 HydrophobicContact CG-CB 3.83Å; A545-A555 CarbonylContact O-C 3.53Å; A545-A555 WeakPolarHBondContact O-CA 3.46Å; A545-A555 WeakPolarHBondContact O-CB 3.42Å; R546-A555 HydrophobicContact CB-CB 4.08Å; R546-A555 HydrophobicContact CG-CB 4.41Å
556G95.8Very high94.7Very high19 Ų1947.5 Ų47.520%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-110.4160.9165.500000111.2P461 F463 E544 A545P461-G556 VanDerWaalsContact O-CA 3.3Å; P461-G556 WeakPolarHBondContact O-CA 3.38Å; P461-G556 PolarHBondContact O-N 2.98Å; F463-G556 WeakPolarHBondContact CE2-O 3.5Å; E544-G556 WeakPolarHBondContact CA-O 3.27Å; A545-G556 PolarHBondContact N-O 2.73Å; A545-G556 PolarHBondContact O-N 3.46Å
557N96.4Very high94.6Very high94 Ų9447.8 Ų47.850%0.50329%0.29SS..EExtended strand (participates in β ladder)trans-126.6156.8173.364.7-0.7000112.3Q542 V543Q542-N557 PolarHBondContact OE1-ND2 3.05Å; V543-N557 CarbonylContact O-C 3.52Å; V543-N557 WeakPolarHBondContact O-CA 3.45Å; V543-N557 WeakPolarHBondContact O-CB 3.28Å
558A97.5Very high94.5Very high3 Ų348.1 Ų48.13%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-139.7156.5169.300000109.6F463 P466 Y468 Q542 V543F463-A558 HydrophobicContact CB-CB 3.83Å; F463-A558 HydrophobicContact CD1-CB 3.99Å; F463-A558 HydrophobicContact CD2-CB 3.61Å; F463-A558 HydrophobicContact CE1-CB 4.48Å; F463-A558 HydrophobicContact CE2-CB 4.13Å; F463-A558 HydrophobicContact CG-CB 3.52Å; P466-A558 WeakPolarHBondContact O-CA 3.35Å; Y468-A558 HydrophobicContact CD2-CB 4.27Å; Y468-A558 HydrophobicContact CE2-CB 3.86Å; Q542-A558 CarbonylContact C-O 3.53Å; Q542-A558 VanDerWaalsContact CA-O 3.32Å; Q542-A558 WeakPolarHBondContact CA-O 3.22Å; V543-A558 HydrophobicContact CG2-CB 4.01Å; V543-A558 WeakPolarHBondContact CG2-O 3.44Å; V543-A558 PolarHBondContact N-O 2.76Å; V543-A558 PolarHBondContact O-N 2.83Å
559T98Very high94.6Very high39 Ų3949.3 Ų49.324%0.23929%0.292CS..EExtended strand (participates in β ladder)trans-96.8136.7175.4-54.20000109.7P466 V467 Y468P466-T559 PolarHBondContact O-N 2.68Å; V467-T559 CarbonylContact C-O 3.51Å; V467-T559 VanDerWaalsContact CA-O 3.24Å; V467-T559 WeakPolarHBondContact CA-O 3.25Å; Y468-T559 PolarHBondContact N-O 2.77Å
560V97.9Very high94.9Very high0 Ų051.4 Ų51.40%030%0.3CS..EExtended strand (participates in β ladder)trans-113.4121.5170.2-176.40000107.6Y468 V470 V485 L525 S540 F541 V543 I562Y468-V560 HydrophobicContact CD2-CG2 4.27Å; Y468-V560 WeakPolarHBondContact O-CA 3.34Å; V470-V560 HydrophobicContact CG2-CG1 3.84Å; V485-V560 HydrophobicContact CG1-CG2 3.93Å; L525-V560 HydrophobicContact CD1-CG1 3.94Å; L525-V560 HydrophobicContact CD1-CG2 4.17Å; S540-V560 VanDerWaalsContact CA-O 3.3Å; S540-V560 WeakPolarHBondContact CA-O 3.2Å; F541-V560 HydrophobicContact CD2-CB 4.19Å; F541-V560 HydrophobicContact CE1-CB 4.33Å; F541-V560 HydrophobicContact CE1-CG1 4.3Å; F541-V560 HydrophobicContact CE2-CB 3.73Å; F541-V560 HydrophobicContact CE2-CG1 4.19Å; F541-V560 HydrophobicContact CE2-CG2 4.02Å; F541-V560 HydrophobicContact CZ-CB 3.8Å; F541-V560 HydrophobicContact CZ-CG1 3.79Å; F541-V560 HydrophobicContact CZ-CG2 4.45Å; F541-V560 PolarHBondContact N-O 2.87Å; F541-V560 PolarHBondContact O-N 2.9Å; V543-V560 HydrophobicContact CG1-CG2 3.91Å; V543-V560 HydrophobicContact CG2-CG2 3.98Å; V560-I562 HydrophobicContact CG1-CD1 3.75Å
561N97.8Very high95.4Very high42 Ų4249.2 Ų49.223%0.22529%0.288CS..EExtended strand (participates in β ladder)trans-99.5114.6172.6-57-35000107.6V467 Y468 D469 V470 S540V467-N561 VanDerWaalsContact CG1-ND2 3.3Å; V467-N561 WeakPolarHBondContact CG1-ND2 3.47Å; Y468-N561 PolarHBondContact O-N 2.86Å; D469-N561 WeakPolarHBondContact OD1-CB 3.22Å; D469-N561 PolarHBondContact OD1-ND2 2.87Å; V470-N561 PolarHBondContact N-O 2.84Å; S540-N561 WeakPolarHBondContact CB-OD1 3.23Å
562I96.8Very high96Very high0 Ų043.2 Ų43.20%025%0.249CC..EExtended strand (participates in β ladder)trans-88.4120.9168.8-53.5-54.5000107.4V470 V472 I482 D538 F539 F541 V560 I564V470-I562 HydrophobicContact CB-CD1 3.74Å; V470-I562 HydrophobicContact CG1-CD1 4Å; V470-I562 HydrophobicContact CG2-CD1 4.24Å; V470-I562 WeakPolarHBondContact O-CA 3.43Å; V472-I562 HydrophobicContact CB-CG2 4.31Å; V472-I562 HydrophobicContact CG2-CG2 3.83Å; I482-I562 HydrophobicContact CD1-CD1 4.01Å; D538-I562 VanDerWaalsContact CA-O 3.26Å; D538-I562 WeakPolarHBondContact CA-O 3.45Å; F539-I562 HydrophobicContact CD1-CB 4Å; F539-I562 HydrophobicContact CD1-CG2 4.28Å; F539-I562 HydrophobicContact CD2-CB 4.12Å; F539-I562 HydrophobicContact CD2-CG1 4.02Å; F539-I562 HydrophobicContact CE1-CB 3.69Å; F539-I562 HydrophobicContact CE1-CG1 4.19Å; F539-I562 HydrophobicContact CE1-CG2 3.61Å; F539-I562 HydrophobicContact CE2-CB 3.85Å; F539-I562 HydrophobicContact CE2-CG1 3.48Å; F539-I562 VanDerWaalsContact CE2-CG1 3.48Å; F539-I562 HydrophobicContact CE2-CG2 4.44Å; F539-I562 HydrophobicContact CG-CB 4.22Å; F539-I562 HydrophobicContact CZ-CB 3.63Å; F539-I562 HydrophobicContact CZ-CG1 3.57Å; F539-I562 HydrophobicContact CZ-CG2 3.72Å; F539-I562 PolarHBondContact N-O 2.97Å; F539-I562 PolarHBondContact O-N 2.88Å; F541-I562 HydrophobicContact CE1-CD1 4.03Å; F541-I562 HydrophobicContact CE1-CG1 3.61Å; F541-I562 HydrophobicContact CZ-CD1 4.25Å; F541-I562 HydrophobicContact CZ-CG1 4.33Å; V560-I562 HydrophobicContact CG1-CD1 3.75Å; I562-I564 HydrophobicContact CG2-CG1 4.3Å
563L97.3Very high96.2Very high47 Ų4738.7 Ų38.725%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-109.8115176.4-60175.7000107.1D469 V470 Y471 V472 D538D469-L563 HydrophobicContact CB-CD1 4.37Å; V470-L563 PolarHBondContact O-N 3.29Å; Y471-L563 WeakPolarHBondContact CA-O 3.49Å; Y471-L563 HydrophobicContact CD1-CB 3.81Å; Y471-L563 HydrophobicContact CD1-CD1 4.19Å; Y471-L563 HydrophobicContact CE1-CB 3.88Å; Y471-L563 HydrophobicContact CE1-CD1 3.48Å; Y471-L563 VanDerWaalsContact CE1-CD1 3.48Å; Y471-L563 HydrophobicContact CE1-CG 4.33Å; Y471-L563 HydrophobicContact CE2-CD1 4.28Å; V472-L563 PolarHBondContact N-O 2.84Å; D538-L563 HydrophobicContact CB-CD2 3.9Å
564I96.6Very high96.2Very high9 Ų938.9 Ų38.95%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-85.6131.8-178.2-66154.9000108.3V472 E474 F531 Y533 L536 K537 F539 I562V472-I564 CarbonylContact O-C 3.38Å; V472-I564 VanDerWaalsContact O-CA 3.3Å; V472-I564 WeakPolarHBondContact O-CA 3.32Å; E474-I564 HydrophobicContact CB-CG2 4.24Å; F531-I564 HydrophobicContact CB-CD1 3.59Å; F531-I564 HydrophobicContact CB-CG1 3.97Å; F531-I564 HydrophobicContact CB-CG2 4.26Å; F531-I564 HydrophobicContact CD1-CD1 4.28Å; F531-I564 HydrophobicContact CD2-CD1 4.33Å; F531-I564 HydrophobicContact CD2-CG1 4.28Å; F531-I564 HydrophobicContact CG-CD1 3.82Å; F531-I564 HydrophobicContact CG-CG1 4.22Å; Y533-I564 HydrophobicContact CD2-CB 4.28Å; Y533-I564 HydrophobicContact CD2-CG2 4.06Å; Y533-I564 VanDerWaalsContact CD2-O 3.27Å; Y533-I564 WeakPolarHBondContact CD2-O 3.36Å; Y533-I564 VanDerWaalsContact CE2-O 3.26Å; Y533-I564 WeakPolarHBondContact CE2-O 3.34Å; L536-I564 HydrophobicContact CB-CD1 4.41Å; L536-I564 HydrophobicContact CD2-CD1 4.42Å; L536-I564 HydrophobicContact CG-CD1 4.2Å; L536-I564 WeakPolarHBondContact O-CD1 3.14Å; K537-I564 PolarHBondContact O-N 3.41Å; F539-I564 HydrophobicContact CD1-CD1 4.2Å; F539-I564 HydrophobicContact CE1-CD1 3.99Å; I562-I564 HydrophobicContact CG2-CG1 4.3Å
565V95.9Very high96.1Very high51 Ų5140.1 Ų40.131%0.30924%0.242SC..EExtended strand (participates in β ladder)trans-101.5106.6-178.5-176.70000108.5Y471 V472 E474Y471-V565 HydrophobicContact CD1-CG2 3.95Å; Y471-V565 HydrophobicContact CG-CG2 4.46Å; V472-V565 PolarHBondContact O-N 2.6Å; E474-V565 WeakPolarHBondContact CB-O 3.38Å; E474-V565 PolarHBondContact N-O 2.97Å
566D96.5Very high95.9Very high27 Ų2739.8 Ų39.814%0.14424%0.239CC..  trans-33.9129.6167.8-177.8-15.8000113.2E474 Y533 D610 N613E474-D566 WeakPolarHBondContact OE2-CA 3.17Å; Y533-D566 HydrophobicContact CD1-CB 3.61Å; Y533-D566 HydrophobicContact CD2-CB 4.16Å; Y533-D566 HydrophobicContact CE1-CB 3.62Å; Y533-D566 HydrophobicContact CE2-CB 4.18Å; Y533-D566 HydrophobicContact CG-CB 3.9Å; D566-D610 WeakPolarHBondContact OD2-CA 3.3Å; D566-D610 WeakPolarHBondContact OD2-CB 3.45Å; D566-D610 PolarHBondContact OD2-N 2.77Å; D566-N613 VanDerWaalsContact CG-ND2 3.3Å; D566-N613 PolarHBondContact OD1-ND2 3.44Å
567Q94.8Very high95.7Very high96 Ų9640.1 Ų40.145%0.44924%0.238SC..  trans-124.6137.7164-71.2-159.111.800111.4E474 D569E474-Q567 HydrophobicContact CB-CB 4.42Å; E474-Q567 HydrophobicContact CG-CB 4.46Å; E474-Q567 PolarHBondContact OE2-N 2.65Å; Q567-D569 VanDerWaalsContact C-N 3.32Å; Q567-D569 PolarHBondContact O-N 2.83Å
568N96Very high95.3Very high14 Ų1442.5 Ų42.58%0.07525%0.25CC..SBendtrans-61.381.8-178.4-155.962.1000112.9D609 N613 D662 P666 L668N568-D609 VanDerWaalsContact CA-OD2 3.31Å; N568-D609 WeakPolarHBondContact CA-OD2 3.28Å; N568-D609 PolarHBondContact OD1-OD2 3.02Å; N568-N613 HydrophobicContact CB-CB 4.09Å; N568-N613 PolarHBondContact N-ND2 3.2Å; N568-N613 WeakPolarHBondContact OD1-CA 3.2Å; N568-N613 WeakPolarHBondContact OD1-CB 3.46Å; N568-N613 PolarHBondContact OD1-O 2.87Å; N568-D662 PolarHBondContact ND2-OD1 2.92Å; N568-D662 PolarHBondContact OD1-OD1 3.37Å; N568-P666 PolarHBondContact ND2-O 3.32Å; N568-L668 PolarHBondContact ND2-N 2.87Å; N568-L668 WeakPolarHBondContact O-CD1 3.44Å
569D95.4Very high94.8Very high79 Ų7946.6 Ų46.642%0.42228%0.276SS..  trans-117.8-20.2-176.398.9-24.9000113.1N475 Q567 D609N475-D569 PolarHBondContact ND2-OD2 2.71Å; Q567-D569 VanDerWaalsContact C-N 3.32Å; Q567-D569 PolarHBondContact O-N 2.83Å; D569-D609 PolarHBondContact N-OD2 2.94Å
570N95.5Very high94.1Very high54 Ų5446.2 Ų46.229%0.28928%0.279SS..SBendtrans-90.1131168.9-59.9-79.7000110.6E534 A608 D609 L668E534-N570 PolarHBondContact OE2-ND2 3.26Å; N570-A608 HydrophobicContact CB-CB 3.79Å; N570-D609 WeakPolarHBondContact CB-OD1 3.19Å; N570-D609 PolarHBondContact ND2-OD1 3.36Å; N570-L668 WeakPolarHBondContact O-CD1 3.08Å
571A95.7Very high93.5Very high56 Ų5656.8 Ų56.846%0.46332%0.319SS..PPolyproline II helixtrans-91.3140.8177.200000111.1A573 L668A571-A573 PolarHBondContact O-N 2.82Å; A571-L668 HydrophobicContact CB-CB 3.97Å; A571-L668 HydrophobicContact CB-CD1 4.17Å
572P96.8Very high92.8Very high1 Ų162.1 Ų62.11%0.00635%0.348CS..PPolyproline II helixtrans-58.7135.9-176.618.5-31.9000112.3D607 L616 V660 D662 S670P572-D607 WeakPolarHBondContact CA-OD2 3.43Å; P572-D607 WeakPolarHBondContact CB-OD2 3.29Å; P572-D607 VanDerWaalsContact CD-OD2 3.26Å; P572-D607 WeakPolarHBondContact CD-OD2 3.2Å; P572-L616 HydrophobicContact CB-CD2 3.51Å; P572-L616 HydrophobicContact CG-CD2 4.46Å; P572-V660 HydrophobicContact CB-CG1 3.97Å; P572-V660 HydrophobicContact CG-CG1 4.43Å; P572-D662 WeakPolarHBondContact CD-OD2 3.3Å; P572-S670 WeakPolarHBondContact O-CB 3.42Å; P572-S670 PolarHBondContact O-OG 3.14Å
573A94.2Very high92.1Very high53 Ų5365.5 Ų65.544%0.43838%0.383SS..EExtended strand (participates in β ladder)trans-115.3124-177.300000113.1A571 V575 A605 V606A571-A573 PolarHBondContact O-N 2.82Å; A573-V575 PolarHBondContact O-N 3Å; A573-A605 CarbonylContact O-C 3.54Å; A573-A605 WeakPolarHBondContact O-CA 3.16Å; A573-A605 VanDerWaalsContact O-CB 3.26Å; A573-A605 WeakPolarHBondContact O-CB 3.38Å; A573-V606 PolarHBondContact N-O 2.75Å; A573-V606 PolarHBondContact O-N 3.23Å
574I93.7Very high91.7Very high45 Ų4566.3 Ų66.323%0.23139%0.39CS..EExtended strand (participates in β ladder)trans-71.5120.3176.6-53.7102000111.1A576 V603 A605 V660 S670 A672I574-A576 WeakPolarHBondContact CG2-O 3.44Å; I574-V603 HydrophobicContact CG2-CG1 3.98Å; I574-A605 HydrophobicContact CG1-CB 4.49Å; I574-V660 HydrophobicContact CD1-CG2 4.43Å; I574-V660 HydrophobicContact CG1-CG2 3.76Å; I574-S670 WeakPolarHBondContact CD1-OG 3.36Å; I574-A672 HydrophobicContact CD1-CB 3.97Å; I574-A672 HydrophobicContact CG1-CB 4.18Å; I574-A672 HydrophobicContact CG2-CB 4.4Å
575V93.9Very high91.4Very high78 Ų7868.2 Ų68.247%0.47340%0.402SS..EExtended strand (participates in β ladder)trans-105.4-19.7178.7-63.20000113.7A573 A604 V606A573-V575 PolarHBondContact O-N 3Å; V575-A604 HydrophobicContact CG2-CB 4.11Å; V575-A604 VanDerWaalsContact CG2-O 3.32Å; V575-A604 WeakPolarHBondContact CG2-O 3.44Å; V575-A604 PolarHBondContact N-O 2.85Å; V575-V606 HydrophobicContact CG1-CB 4.49Å; V575-V606 HydrophobicContact CG1-CG2 3.97Å; V575-V606 HydrophobicContact CG2-CG2 4.02Å
576A91.9Very high91.1Very high29 Ų2966.1 Ų66.124%0.2439%0.391CS..EExtended strand (participates in β ladder)trans-146.1148.3174.100000112.2I574 V603 A604I574-A576 WeakPolarHBondContact CG2-O 3.44Å; A576-V603 CarbonylContact O-C 3.58Å; A576-V603 VanDerWaalsContact O-CA 3.28Å; A576-V603 WeakPolarHBondContact O-CA 3.33Å; A576-A604 HydrophobicContact CB-CB 4.05Å; A576-A604 PolarHBondContact N-O 3.49Å; A576-A604 PolarHBondContact O-N 3.31Å
577P90.6Very high90.9Very high26 Ų2673.2 Ų73.217%0.16942%0.415CS..SBendcis-66.9150.1-1129.6-35.7000111.7A586 E588 T601 L674P577-A586 HydrophobicContact CB-CB 4.16Å; P577-A586 HydrophobicContact CG-CB 3.74Å; P577-E588 WeakPolarHBondContact CB-OE1 3.26Å; P577-T601 HydrophobicContact CG-CG2 4.38Å; P577-L674 HydrophobicContact CG-CD1 3.93Å
578L88.8Confident90.7Very high144 Ų14470.6 Ų70.675%0.75440%0.403SS*.PPolyproline II helixtrans-64.2135.9-179.5-69.997.5000110.6
579P87.1Confident90.5Very high89 Ų8972.9 Ų72.958%0.57842%0.418SS*.PPolyproline II helixtrans-65.4155.8174.528.7-34.8000110.9
580G83.7Confident90.3Very high30 Ų3069.1 Ų69.131%0.30940%0.397SS..BIsolated β-bridgetrans-68.3164.7171.700000112.1N582 G583 T584G580-N582 PolarHBondContact O-N 3.11Å; G580-G583 PolarHBondContact O-N 3.19Å; G580-T584 WeakPolarHBondContact CA-OG1 3.31Å; G580-T584 PolarHBondContact N-O 2.84Å; G580-T584 PolarHBondContact O-N 3.1Å; G580-T584 PolarHBondContact O-OG1 2.94Å
581R85.2Confident89.9Confident222 Ų22267.3 Ų67.384%0.83839%0.389SS*.G310 helixtrans-51.2139.6-179.6-169.1172.6-175.4171.73.2111.5T584R581-T584 PolarHBondContact N-OG1 2.87Å; R581-T584 WeakPolarHBondContact O-CG2 3.25Å; R581-T584 PolarHBondContact O-OG1 2.86Å
582N83.1Confident89.4Confident154 Ų15467.1 Ų67.182%0.82438%0.376SS*.G310 helixtrans59.439.8-177.1-58.75.1000114.3G580 T584G580-N582 PolarHBondContact O-N 3.11Å; N582-T584 VanDerWaalsContact C-N 3.25Å; N582-T584 PolarHBondContact O-N 2.77Å
583G82.3Confident88.9Confident71 Ų7171 Ų7173%0.73240%0.404SS*.G310 helixtrans69.521.9175.800000113.8G580G580-G583 PolarHBondContact O-N 3.19Å
584T87.4Confident88.6Confident65 Ų6568.8 Ų68.840%0.39939%0.385SS..BIsolated β-bridgetrans-72.6144.9175.146.40000110.2G580 R581 N582G580-T584 WeakPolarHBondContact CA-OG1 3.31Å; G580-T584 PolarHBondContact N-O 2.84Å; G580-T584 PolarHBondContact O-N 3.1Å; G580-T584 PolarHBondContact O-OG1 2.94Å; R581-T584 PolarHBondContact N-OG1 2.87Å; R581-T584 WeakPolarHBondContact O-CG2 3.25Å; R581-T584 PolarHBondContact O-OG1 2.86Å; N582-T584 VanDerWaalsContact C-N 3.25Å; N582-T584 PolarHBondContact O-N 2.77Å
585P90.8Very high88.4Confident48 Ų4871.1 Ų71.131%0.31240%0.395SS..PPolyproline II helixtrans-49.7142.1177.4-31.737.3000113.3R587 T673 V675P585-R587 PolarHBondContact O-N 2.99Å; P585-T673 WeakPolarHBondContact CA-O 3.44Å; P585-T673 HydrophobicContact CB-CG2 3.95Å; P585-T673 WeakPolarHBondContact CB-O 3.08Å; P585-T673 HydrophobicContact CG-CG2 3.81Å; P585-V675 HydrophobicContact CB-CB 4.39Å; P585-V675 HydrophobicContact CB-CG2 3.48Å; P585-V675 VanDerWaalsContact CB-CG2 3.48Å; P585-V675 HydrophobicContact CG-CG2 4.07Å
586A90.7Very high88.3Confident8 Ų870.7 Ų70.77%0.06639%0.394CS..EExtended strand (participates in β ladder)trans-59.5135.5171.200000109.3P577 T673 L674 V675P577-A586 HydrophobicContact CB-CB 4.16Å; P577-A586 HydrophobicContact CG-CB 3.74Å; A586-T673 PolarHBondContact N-O 2.89Å; A586-L674 CarbonylContact O-C 3.58Å; A586-L674 WeakPolarHBondContact O-CA 3.45Å; A586-V675 PolarHBondContact O-N 3.47Å
587R90.8Very high88.3Confident175 Ų17571.1 Ų71.166%0.6640%0.401SS*.EExtended strand (participates in β ladder)trans-112.9112.7-175.6-76.7175.8175-162.2-1.7110P585 V675P585-R587 PolarHBondContact O-N 2.99Å; R587-V675 WeakPolarHBondContact CA-O 3.06Å; R587-V675 HydrophobicContact CG-CB 4.04Å; R587-V675 HydrophobicContact CG-CG1 4.24Å
588E91.6Very high88.5Confident42 Ų4274.2 Ų74.220%0.19641%0.41CS..EExtended strand (participates in β ladder)trans-112.3142.3179.8-62.7-71-167.100109.9P577 L600 T601 L674 V675 V676 Q677P577-E588 WeakPolarHBondContact CB-OE1 3.26Å; E588-L600 HydrophobicContact CB-CD1 3.89Å; E588-L600 HydrophobicContact CB-CD2 3.96Å; E588-L600 HydrophobicContact CB-CG 3.81Å; E588-L600 HydrophobicContact CG-CG 4.48Å; E588-T601 HydrophobicContact CG-CG2 3.98Å; E588-T601 WeakPolarHBondContact OE1-CB 3.26Å; E588-T601 PolarHBondContact OE1-OG1 2.83Å; E588-L674 HydrophobicContact CB-CD2 4.03Å; E588-L674 HydrophobicContact CG-CD1 4.27Å; E588-L674 HydrophobicContact CG-CD2 3.83Å; E588-L674 HydrophobicContact CG-CG 4.16Å; E588-V675 PolarHBondContact N-O 2.8Å; E588-V676 CarbonylContact O-C 3.6Å; E588-V676 WeakPolarHBondContact O-CA 3.34Å; E588-Q677 PolarHBondContact O-N 2.67Å
589V90.6Very high88.8Confident61 Ų6170.7 Ų70.737%0.3739%0.392SS..EExtended strand (participates in β ladder)trans-101.4119.7-176175.70000110.2L600 V679 V683V589-L600 WeakPolarHBondContact O-CD1 3.31Å; V589-V679 HydrophobicContact CG1-CB 3.88Å; V589-V679 HydrophobicContact CG1-CG2 3.53Å; V589-V683 HydrophobicContact CG1-CG2 4.46Å
590L91.6Very high89.1Confident0 Ų067.3 Ų67.30%037%0.368CS..EExtended strand (participates in β ladder)trans-103.9113.4173.2179.665.2000109.7R592 A594 Y598 L600 F629 T640 V644 V676 Q677 L678 V679L590-R592 PolarHBondContact O-N 2.98Å; L590-A594 HydrophobicContact CD1-CB 3.62Å; L590-A594 HydrophobicContact CG-CB 4.41Å; L590-Y598 HydrophobicContact CD1-CD1 3.49Å; L590-Y598 VanDerWaalsContact CD1-CD1 3.49Å; L590-Y598 HydrophobicContact CD1-CE1 3.65Å; L590-L600 HydrophobicContact CB-CD1 4.03Å; L590-L600 HydrophobicContact CD1-CD1 4.43Å; L590-F629 HydrophobicContact CD2-CE1 3.99Å; L590-F629 HydrophobicContact CD2-CZ 4.06Å; L590-T640 HydrophobicContact CD1-CG2 3.66Å; L590-T640 HydrophobicContact CD2-CG2 4.15Å; L590-V644 HydrophobicContact CD2-CG2 3.88Å; L590-V676 HydrophobicContact CB-CG1 3.46Å; L590-V676 VanDerWaalsContact CB-CG1 3.46Å; L590-V676 HydrophobicContact CD2-CG1 4.12Å; L590-V676 HydrophobicContact CG-CG1 4.41Å; L590-Q677 PolarHBondContact N-O 2.84Å; L590-L678 HydrophobicContact CB-CD2 4.24Å; L590-L678 HydrophobicContact CD2-CD2 3.92Å; L590-L678 HydrophobicContact CG-CD2 4.24Å; L590-L678 WeakPolarHBondContact O-CA 3.19Å; L590-V679 PolarHBondContact O-N 3.27Å; L590-V679 VanDerWaalsContact O-N 3.15Å
591P88.4Confident89.6Confident16 Ų1667.1 Ų67.110%0.10436%0.361CS..EExtended strand (participates in β ladder)trans-62.5132.4171.123.5-30.9000109.9S593 A594 Y598 V679P591-S593 PolarHBondContact O-N 3.5Å; P591-S593 VanDerWaalsContact O-N 3.11Å; P591-A594 HydrophobicContact CG-CB 4.29Å; P591-A594 WeakPolarHBondContact O-CB 3.49Å; P591-A594 PolarHBondContact O-N 2.68Å; P591-Y598 WeakPolarHBondContact CD-OH 3.29Å; P591-Y598 HydrophobicContact CG-CE1 4.43Å; P591-Y598 HydrophobicContact CG-CE2 4.22Å; P591-V679 WeakPolarHBondContact CA-O 3.41Å
592R84.4Confident90Very high52 Ų5263 Ų6320%0.19635%0.346CS..THydrogen-bonded Turntrans-63.5-18.4-178.8-77166.759.199.13.2113.5L590 A594 R648 L678 V679 D680L590-R592 PolarHBondContact O-N 2.98Å; R592-A594 VanDerWaalsContact C-N 3.31Å; R592-R648 PolarHBondContact NH1-O 2.82Å; R592-R648 PolarHBondContact NH2-O 3.31Å; R592-L678 HydrophobicContact CG-CB 3.83Å; R592-L678 HydrophobicContact CG-CD2 4.11Å; R592-L678 HydrophobicContact CG-CG 4.42Å; R592-V679 PolarHBondContact N-O 2.88Å; R592-D680 WeakPolarHBondContact CD-OD1 3.39Å; R592-D680 IonicContact CZ-OD1 2.88Å; R592-D680 IonicContact NE-OD1 3.85Å; R592-D680 PolarHBondContact NE-OD1 3.27Å; R592-D680 IonicContact NE-OD2 3.52Å
593S85.7Confident90.6Very high84 Ų8455.8 Ų55.859%0.58731%0.307SS*.THydrogen-bonded Turntrans-82.32.8171.152.40000114.6P591 E595P591-S593 PolarHBondContact O-N 3.5Å; P591-S593 VanDerWaalsContact O-N 3.11Å; S593-E595 PolarHBondContact O-N 2.84Å
594A87.5Confident91.2Very high6 Ų653.1 Ų53.15%0.0528%0.278CS..PPolyproline II helixtrans-58.6130.6179.400000112.6L590 P591 R592 Y598 T640L590-A594 HydrophobicContact CD1-CB 3.62Å; L590-A594 HydrophobicContact CG-CB 4.41Å; P591-A594 HydrophobicContact CG-CB 4.29Å; P591-A594 WeakPolarHBondContact O-CB 3.49Å; P591-A594 PolarHBondContact O-N 2.68Å; R592-A594 VanDerWaalsContact C-N 3.31Å; A594-Y598 HydrophobicContact CB-CD1 4.06Å; A594-Y598 HydrophobicContact CB-CD2 4.34Å; A594-Y598 HydrophobicContact CB-CG 3.87Å; A594-T640 HydrophobicContact CB-CG2 4.45Å
595E90.7Very high91.6Very high93 Ų9350.6 Ų50.644%0.43526%0.264SS..PPolyproline II helixtrans-73.3160171.3-66.9-60.6164.700111.7S593 G597 Y598 T640 R643S593-E595 PolarHBondContact O-N 2.84Å; E595-G597 PolarHBondContact O-N 2.97Å; E595-Y598 VanDerWaalsContact O-CB 3.31Å; E595-Y598 WeakPolarHBondContact O-CB 3.48Å; E595-Y598 PolarHBondContact O-N 3.48Å; E595-T640 PolarHBondContact O-OG1 2.81Å; E595-R643 IonicContact OE1-CZ 3.61Å; E595-R643 VanDerWaalsContact OE1-CZ 3.24Å; E595-R643 IonicContact OE1-NE 3.24Å; E595-R643 IonicContact OE1-NH1 2.73Å; E595-R643 IonicContact OE1-NH2 3.98Å; E595-R643 PolarHBondContact OE1-NH2 2.93Å; E595-R643 IonicContact OE2-CZ 3.93Å; E595-R643 IonicContact OE2-NE 3.09Å; E595-R643 PolarHBondContact OE2-NE 2.83Å; E595-R643 IonicContact OE2-NH2 2.86Å; E595-R643 PolarHBondContact OE2-NH2 3.29Å
596P92Very high91.8Very high69 Ų6952.2 Ų52.245%0.44827%0.273SS..THydrogen-bonded Turntrans-58.6134164.6-17.832.3000110.3R643P596-R643 HydrophobicContact CG-CG 4.16Å
597G92.3Very high92.1Very high38 Ų3853 Ų5339%0.39228%0.275SS..THydrogen-bonded Turntrans96.8-7.1-17600000114.7E595 L599 R639 T640E595-G597 PolarHBondContact O-N 2.97Å; G597-L599 PolarHBondContact O-N 3.16Å; G597-R639 PolarHBondContact O-NH1 3.39Å; G597-R639 VanDerWaalsContact O-NH1 3.08Å; G597-T640 WeakPolarHBondContact CA-O 3.45Å; G597-T640 PolarHBondContact N-O 2.78Å; G597-T640 PolarHBondContact N-OG1 3.12Å; G597-T640 VanDerWaalsContact N-OG1 3.15Å
598Y93.7Very high92.3Very high92 Ų9247.3 Ų47.336%0.36127%0.266SS..  trans-58120.4174.7178-93.6000110.5L590 P591 A594 E595 L600 R639 T640L590-Y598 HydrophobicContact CD1-CD1 3.49Å; L590-Y598 VanDerWaalsContact CD1-CD1 3.49Å; L590-Y598 HydrophobicContact CD1-CE1 3.65Å; P591-Y598 WeakPolarHBondContact CD-OH 3.29Å; P591-Y598 HydrophobicContact CG-CE1 4.43Å; P591-Y598 HydrophobicContact CG-CE2 4.22Å; A594-Y598 HydrophobicContact CB-CD1 4.06Å; A594-Y598 HydrophobicContact CB-CD2 4.34Å; A594-Y598 HydrophobicContact CB-CG 3.87Å; E595-Y598 VanDerWaalsContact O-CB 3.31Å; E595-Y598 WeakPolarHBondContact O-CB 3.48Å; E595-Y598 PolarHBondContact O-N 3.48Å; Y598-L600 HydrophobicContact CE1-CD1 4.35Å; Y598-L600 PolarHBondContact O-N 2.94Å; Y598-R639 CarbonylContact O-C 3.5Å; Y598-R639 VanDerWaalsContact O-CA 3.22Å; Y598-R639 WeakPolarHBondContact O-CA 3.39Å; Y598-T640 WeakPolarHBondContact CB-OG1 3.3Å; Y598-T640 HydrophobicContact CD1-CG2 4.43Å; Y598-T640 PolarHBondContact N-OG1 3.12Å; Y598-T640 PolarHBondContact O-N 2.74Å
599L94.9Very high92.6Very high70 Ų7045.8 Ų45.837%0.36626%0.26SS..EExtended strand (participates in β ladder)trans-76.3118.4174.7179.866.2000108.9G597 T601 E637 R639G597-L599 PolarHBondContact O-N 3.16Å; L599-T601 WeakPolarHBondContact CD1-O 3.16Å; L599-E637 HydrophobicContact CD1-CB 3.85Å; L599-E637 HydrophobicContact CD1-CG 3.94Å; L599-R639 HydrophobicContact CB-CG 4.33Å; L599-R639 HydrophobicContact CD1-CG 3.89Å
600L93.3Very high92.8Very high18 Ų1846.5 Ų46.59%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-83.9-52.3176.1-178.265.6000110.6E588 V589 L590 Y598 F629 L638 L674 V676E588-L600 HydrophobicContact CB-CD1 3.89Å; E588-L600 HydrophobicContact CB-CD2 3.96Å; E588-L600 HydrophobicContact CB-CG 3.81Å; E588-L600 HydrophobicContact CG-CG 4.48Å; V589-L600 WeakPolarHBondContact O-CD1 3.31Å; L590-L600 HydrophobicContact CB-CD1 4.03Å; L590-L600 HydrophobicContact CD1-CD1 4.43Å; Y598-L600 HydrophobicContact CE1-CD1 4.35Å; Y598-L600 PolarHBondContact O-N 2.94Å; L600-F629 HydrophobicContact CD2-CE1 4.25Å; L600-L638 HydrophobicContact CB-CG 4.49Å; L600-L638 WeakPolarHBondContact CB-O 2.93Å; L600-L638 HydrophobicContact CD2-CD2 3.84Å; L600-L638 HydrophobicContact CD2-CG 4.38Å; L600-L638 PolarHBondContact N-O 2.68Å; L600-L674 HydrophobicContact CD2-CD2 4.33Å; L600-V676 HydrophobicContact CD1-CG1 4.26Å; L600-V676 HydrophobicContact CD2-CB 4.18Å; L600-V676 HydrophobicContact CD2-CG1 3.58Å; L600-V676 HydrophobicContact CD2-CG2 3.57Å
601T94.2Very high92.9Very high25 Ų2549 Ų4915%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-163.9174.2-179.8-164.20000109.8P577 E588 L599 L638 L674P577-T601 HydrophobicContact CG-CG2 4.38Å; E588-T601 HydrophobicContact CG-CG2 3.98Å; E588-T601 WeakPolarHBondContact OE1-CB 3.26Å; E588-T601 PolarHBondContact OE1-OG1 2.83Å; L599-T601 WeakPolarHBondContact CD1-O 3.16Å; T601-L638 HydrophobicContact CG2-CB 4.32Å; T601-L638 HydrophobicContact CG2-CD2 4.38Å; T601-L638 PolarHBondContact O-N 3.03Å; T601-L674 HydrophobicContact CG2-CD1 3.78Å
602R94.9Very high93.3Very high137 Ų13752.7 Ų52.752%0.51730%0.303SS..EExtended strand (participates in β ladder)trans-121.8119.6171.9-174.3174.565.788-1.5109.4T635 E637R602-T635 WeakPolarHBondContact CD-O 3.49Å; R602-T635 WeakPolarHBondContact CG-O 3.48Å; R602-E637 HydrophobicContact CB-CG 4.34Å; R602-E637 HydrophobicContact CG-CG 3.99Å
603V94.5Very high93.8Very high1 Ų151.4 Ų51.41%0.00630%0.3CS..  trans-74.2130.4170.8-173.10000107.9I574 A576 Y618 M631 G636 I658 V660I574-V603 HydrophobicContact CG2-CG1 3.98Å; A576-V603 CarbonylContact O-C 3.58Å; A576-V603 VanDerWaalsContact O-CA 3.28Å; A576-V603 WeakPolarHBondContact O-CA 3.33Å; V603-Y618 HydrophobicContact CB-CD1 4.11Å; V603-Y618 HydrophobicContact CB-CE1 4.29Å; V603-Y618 HydrophobicContact CG1-CD1 3.92Å; V603-Y618 HydrophobicContact CG1-CE1 3.93Å; V603-M631 HydrophobicContact CB-CE 4.37Å; V603-M631 HydrophobicContact CG2-CE 3.59Å; V603-G636 PolarHBondContact N-O 2.71Å; V603-I658 HydrophobicContact CG1-CG2 4.23Å; V603-I658 HydrophobicContact CG2-CD1 3.83Å; V603-I658 HydrophobicContact CG2-CG2 4.29Å; V603-V660 HydrophobicContact CG1-CG2 4.49Å
604A95.2Very high94.3Very high15 Ų1548.9 Ų48.912%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-128.4135171.600000108.3V575 A576V575-A604 HydrophobicContact CG2-CB 4.11Å; V575-A604 VanDerWaalsContact CG2-O 3.32Å; V575-A604 WeakPolarHBondContact CG2-O 3.44Å; V575-A604 PolarHBondContact N-O 2.85Å; A576-A604 HydrophobicContact CB-CB 4.05Å; A576-A604 PolarHBondContact N-O 3.49Å; A576-A604 PolarHBondContact O-N 3.31Å
605A95.1Very high94.7Very high12 Ų1252.9 Ų52.910%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-125.8169171.100000109.8A573 I574 L616 Y618 V660A573-A605 CarbonylContact O-C 3.54Å; A573-A605 WeakPolarHBondContact O-CA 3.16Å; A573-A605 VanDerWaalsContact O-CB 3.26Å; A573-A605 WeakPolarHBondContact O-CB 3.38Å; I574-A605 HydrophobicContact CG1-CB 4.49Å; A605-L616 HydrophobicContact CB-CD1 3.91Å; A605-L616 WeakPolarHBondContact O-CD1 3.46Å; A605-Y618 HydrophobicContact CB-CE1 4.17Å; A605-Y618 PolarHBondContact N-OH 2.81Å; A605-Y618 VanDerWaalsContact N-OH 3.07Å; A605-V660 HydrophobicContact CB-CB 4.27Å; A605-V660 HydrophobicContact CB-CG1 3.72Å; A605-V660 HydrophobicContact CB-CG2 3.99Å
606V95.7Very high95Very high83 Ų8350 Ų5050%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-132.8141.6176.5178.80000107.1A573 V575A573-V606 PolarHBondContact N-O 2.75Å; A573-V606 PolarHBondContact O-N 3.23Å; V575-V606 HydrophobicContact CG1-CB 4.49Å; V575-V606 HydrophobicContact CG1-CG2 3.97Å; V575-V606 HydrophobicContact CG2-CG2 4.02Å
607D96.8Very high95.3Very high23 Ų2347.9 Ų47.912%0.12327%0.271CS..  trans-111.5160.3163.3-130.3-52.6000110.5P572 A614 L616P572-D607 WeakPolarHBondContact CA-OD2 3.43Å; P572-D607 WeakPolarHBondContact CB-OD2 3.29Å; P572-D607 VanDerWaalsContact CD-OD2 3.26Å; P572-D607 WeakPolarHBondContact CD-OD2 3.2Å; D607-A614 HydrophobicContact CB-CB 3.8Å; D607-L616 HydrophobicContact CB-CD2 4.07Å
608A95.9Very high95.5Very high56 Ų5647.2 Ų47.246%0.46326%0.257SS..SBendtrans-93.7-32.1178.600000112.8E534 N570E534-A608 HydrophobicContact CG-CB 3.91Å; N570-A608 HydrophobicContact CB-CB 3.79Å
609D96.9Very high95.6Very high11 Ų1145.3 Ų45.36%0.05926%0.257CS..SBendtrans-66.1-168.4-177.2-54.6-5.4000112.4E534 N568 D569 N570 N613 A614E534-D609 WeakPolarHBondContact OE1-CA 3.27Å; N568-D609 VanDerWaalsContact CA-OD2 3.31Å; N568-D609 WeakPolarHBondContact CA-OD2 3.28Å; N568-D609 PolarHBondContact OD1-OD2 3.02Å; D569-D609 PolarHBondContact N-OD2 2.94Å; N570-D609 WeakPolarHBondContact CB-OD1 3.19Å; N570-D609 PolarHBondContact ND2-OD1 3.36Å; D609-N613 HydrophobicContact CB-CB 3.52Å; D609-A614 WeakPolarHBondContact O-CB 3.41Å
610D95.3Very high95.6Very high76 Ų7643.8 Ų43.841%0.40625%0.249SC..  trans-128.7178.2177.7-152.6-27.3000112Y533 K537 D566 E612 N613 A614Y533-D610 HydrophobicContact CE1-CB 3.71Å; Y533-D610 PolarHBondContact OH-OD2 3.04Å; K537-D610 IonicContact NZ-OD2 3.77Å; K537-D610 PolarHBondContact NZ-OD2 3.04Å; D566-D610 WeakPolarHBondContact OD2-CA 3.3Å; D566-D610 WeakPolarHBondContact OD2-CB 3.45Å; D566-D610 PolarHBondContact OD2-N 2.77Å; D610-E612 PolarHBondContact O-N 3.44Å; D610-N613 WeakPolarHBondContact O-CA 3.15Å; D610-N613 WeakPolarHBondContact O-CB 3.32Å; D610-N613 PolarHBondContact O-N 3.14Å; D610-A614 PolarHBondContact O-N 2.76Å; D610-A614 VanDerWaalsContact O-N 3.07Å
611G94.6Very high95.6Very high52 Ų5247 Ų4754%0.53627%0.269SS..THydrogen-bonded Turntrans55.3-122.6174.100000115.1
612E95.5Very high95.6Very high93 Ų9353.8 Ų53.844%0.43529%0.292SS..THydrogen-bonded Turntrans-82.3-22177.4-63.9-71.8120.800112.4D610 A614 R615 H663 G664D610-E612 PolarHBondContact O-N 3.44Å; E612-A614 VanDerWaalsContact C-N 3.35Å; E612-R615 VanDerWaalsContact CD-CD 3.42Å; E612-R615 VanDerWaalsContact O-CB 3.31Å; E612-R615 WeakPolarHBondContact O-CB 3.03Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 VanDerWaalsContact O-N 3.14Å; E612-R615 WeakPolarHBondContact OE1-CD 3.38Å; E612-R615 IonicContact OE1-CZ 2.88Å; E612-R615 IonicContact OE1-NE 2.81Å; E612-R615 IonicContact OE1-NH1 2.78Å; E612-R615 PolarHBondContact OE1-NH1 2.92Å; E612-R615 WeakPolarHBondContact OE2-CD 3.22Å; E612-R615 IonicContact OE2-CZ 3.19Å; E612-R615 IonicContact OE2-NE 3.92Å; E612-R615 IonicContact OE2-NH1 3.14Å; E612-R615 PolarHBondContact OE2-NH1 2.79Å; E612-H663 HydrophobicContact CB-CB 4.21Å; E612-H663 CarbonylContact O-C 3.5Å; E612-H663 VanDerWaalsContact O-C 3.28Å; E612-H663 WeakPolarHBondContact O-CA 3.14Å; E612-H663 PolarHBondContact O-N 3.33Å; E612-G664 PolarHBondContact O-N 3.21Å
613N95.8Very high95.4Very high25 Ų2548.6 Ų48.613%0.13428%0.281CS..THydrogen-bonded Turntrans-67.8-35.8175.7-62.6-7.6000110.4D566 N568 D609 D610 R615 D662 G664D566-N613 VanDerWaalsContact CG-ND2 3.3Å; D566-N613 PolarHBondContact OD1-ND2 3.44Å; N568-N613 HydrophobicContact CB-CB 4.09Å; N568-N613 PolarHBondContact N-ND2 3.2Å; N568-N613 WeakPolarHBondContact OD1-CA 3.2Å; N568-N613 WeakPolarHBondContact OD1-CB 3.46Å; N568-N613 PolarHBondContact OD1-O 2.87Å; D609-N613 HydrophobicContact CB-CB 3.52Å; D610-N613 WeakPolarHBondContact O-CA 3.15Å; D610-N613 WeakPolarHBondContact O-CB 3.32Å; D610-N613 PolarHBondContact O-N 3.14Å; N613-R615 PolarHBondContact O-N 2.72Å; N613-D662 WeakPolarHBondContact O-CB 3.49Å; N613-G664 WeakPolarHBondContact OD1-CA 3.39Å
614A95.8Very high95.2Very high31 Ų3150.4 Ų50.426%0.25629%0.291SS..THydrogen-bonded Turntrans-88.49.4169.800000115.9D607 D609 D610 E612 L616D607-A614 HydrophobicContact CB-CB 3.8Å; D609-A614 WeakPolarHBondContact O-CB 3.41Å; D610-A614 PolarHBondContact O-N 2.76Å; D610-A614 VanDerWaalsContact O-N 3.07Å; E612-A614 VanDerWaalsContact C-N 3.35Å; A614-L616 PolarHBondContact O-N 2.68Å
615R96Very high94.9Very high90 Ų9054.4 Ų54.434%0.3431%0.307SS..  trans-85.485.6-171.5-175.2178.7162.1-178.8-13.9112.8E612 N613 D662 H663E612-R615 VanDerWaalsContact CD-CD 3.42Å; E612-R615 VanDerWaalsContact O-CB 3.31Å; E612-R615 WeakPolarHBondContact O-CB 3.03Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 VanDerWaalsContact O-N 3.14Å; E612-R615 WeakPolarHBondContact OE1-CD 3.38Å; E612-R615 IonicContact OE1-CZ 2.88Å; E612-R615 IonicContact OE1-NE 2.81Å; E612-R615 IonicContact OE1-NH1 2.78Å; E612-R615 PolarHBondContact OE1-NH1 2.92Å; E612-R615 WeakPolarHBondContact OE2-CD 3.22Å; E612-R615 IonicContact OE2-CZ 3.19Å; E612-R615 IonicContact OE2-NE 3.92Å; E612-R615 IonicContact OE2-NH1 3.14Å; E612-R615 PolarHBondContact OE2-NH1 2.79Å; N613-R615 PolarHBondContact O-N 2.72Å; R615-D662 WeakPolarHBondContact O-CA 3.24Å; R615-H663 HydrophobicContact CB-CB 4.17Å; R615-H663 HydrophobicContact CG-CB 4.48Å; R615-H663 PolarHBondContact O-CD2 3.47Å
616L96.8Very high94.4Very high34 Ų3460.9 Ų60.918%0.17834%0.337CS..  trans-65.7132.2-176.2-54.3-179.1000114.6P572 A605 D607 A614 Y618 V660P572-L616 HydrophobicContact CB-CD2 3.51Å; P572-L616 HydrophobicContact CG-CD2 4.46Å; A605-L616 HydrophobicContact CB-CD1 3.91Å; A605-L616 WeakPolarHBondContact O-CD1 3.46Å; D607-L616 HydrophobicContact CB-CD2 4.07Å; A614-L616 PolarHBondContact O-N 2.68Å; L616-Y618 HydrophobicContact CB-CE2 4.08Å; L616-V660 HydrophobicContact CB-CG1 4.24Å; L616-V660 HydrophobicContact CD2-CG1 3.95Å
617T97.2Very high94.2Very high24 Ų2462.5 Ų62.515%0.14734%0.342CS..EExtended strand (participates in β ladder)trans-131.3143.3167.456.20000113W633 V660 R661 H663T617-W633 WeakPolarHBondContact CA-O 3.21Å; T617-W633 HydrophobicContact CG2-CE3 3.53Å; T617-W633 HydrophobicContact CG2-CZ3 3.65Å; T617-V660 WeakPolarHBondContact O-CA 3.47Å; T617-R661 PolarHBondContact N-O 3.11Å; T617-R661 PolarHBondContact O-N 2.91Å; T617-R661 PolarHBondContact OG1-O 2.8Å; T617-H663 WeakPolarHBondContact CG2-NE2 3.48Å; T617-H663 PolarHBondContact OG1-NE2 3.42Å
618Y97.1Very high94Very high23 Ų2361.6 Ų61.69%0.0934%0.338CS..EExtended strand (participates in β ladder)trans-115.3132.8-166.8-58.9-96.6000111.4V603 A605 L616 W633 R634 V660V603-Y618 HydrophobicContact CB-CD1 4.11Å; V603-Y618 HydrophobicContact CB-CE1 4.29Å; V603-Y618 HydrophobicContact CG1-CD1 3.92Å; V603-Y618 HydrophobicContact CG1-CE1 3.93Å; A605-Y618 HydrophobicContact CB-CE1 4.17Å; A605-Y618 PolarHBondContact N-OH 2.81Å; A605-Y618 VanDerWaalsContact N-OH 3.07Å; L616-Y618 HydrophobicContact CB-CE2 4.08Å; Y618-W633 PolarHBondContact N-O 3.28Å; Y618-W633 WeakPolarHBondContact O-CA 3.39Å; Y618-R634 WeakPolarHBondContact CE2-O 3.47Å; Y618-V660 HydrophobicContact CD1-CG1 4.39Å; Y618-V660 HydrophobicContact CD1-CG2 3.66Å; Y618-V660 HydrophobicContact CE1-CG1 4.11Å; Y618-V660 HydrophobicContact CE1-CG2 3.71Å
619S96.4Very high94Very high53 Ų5359 Ų5937%0.37132%0.316SS..EExtended strand (participates in β ladder)trans-143.7160.9177.682.20000113.3I658 E659S619-I658 CarbonylContact O-C 3.55Å; S619-I658 VanDerWaalsContact O-CA 3.26Å; S619-I658 WeakPolarHBondContact O-CA 3.22Å; S619-E659 PolarHBondContact N-O 2.87Å; S619-E659 PolarHBondContact O-N 2.91Å
620I95.3Very high93.9Very high37 Ų3767 Ų6719%0.1935%0.345CS..EExtended strand (participates in β ladder)trans-105.9110173.1-49.4171.9000108.6R622 N624 F629 M631 L638 L656I620-R622 WeakPolarHBondContact CG2-O 3.27Å; I620-N624 HydrophobicContact CG2-CB 4.08Å; I620-F629 HydrophobicContact CD1-CB 4.06Å; I620-M631 HydrophobicContact CD1-CB 3.92Å; I620-M631 HydrophobicContact CG1-CB 3.77Å; I620-M631 HydrophobicContact CG1-CE 4.45Å; I620-M631 HydrophobicContact CG1-SD 4.14Å; I620-L638 HydrophobicContact CD1-CD1 3.71Å; I620-L656 HydrophobicContact CG2-CB 4.41Å; I620-L656 HydrophobicContact CG2-CD2 4.38Å
621V93.6Very high93.9Very high85 Ų8564.9 Ų64.952%0.51533%0.333SS..EExtended strand (participates in β ladder)trans-77.5-41-177-178.20000111.8V657 E659V621-V657 PolarHBondContact N-O 2.71Å; V621-E659 HydrophobicContact CG2-CB 3.54Å
622R93.1Very high94Very high169 Ų16965.4 Ų65.464%0.63832%0.324SS*.EExtended strand (participates in β ladder)trans-155167.9-178.156.3177.4-177.3-167.9-0.5112.3I620 L656 V657I620-R622 WeakPolarHBondContact CG2-O 3.27Å; R622-L656 WeakPolarHBondContact O-CA 3.43Å; R622-V657 HydrophobicContact CG-CB 3.68Å; R622-V657 HydrophobicContact CG-CG2 3.83Å; R622-V657 VanDerWaalsContact NE-CG2 3.32Å; R622-V657 PolarHBondContact O-N 2.77Å
623G90.6Very high93.9Very high28 Ų2866.8 Ų66.829%0.28933%0.325SS..  trans91.8-14.5-179.400000115.3E625 E655 L656G623-E625 VanDerWaalsContact C-N 3.33Å; G623-E625 PolarHBondContact O-N 3.27Å; G623-E655 VanDerWaalsContact CA-O 3.29Å; G623-E655 WeakPolarHBondContact CA-O 3.28Å; G623-L656 VanDerWaalsContact C-CD2 3.42Å; G623-L656 WeakPolarHBondContact O-CD2 3.14Å
624N91.5Very high93.8Very high39 Ų3973.1 Ų73.121%0.20935%0.347CS..  trans-8071.8-178.8-170.311.6000112.8I620 M626 L628 F629 L656I620-N624 HydrophobicContact CG2-CB 4.08Å; N624-M626 PolarHBondContact O-N 3.47Å; N624-L628 PolarHBondContact OD1-N 2.79Å; N624-F629 PolarHBondContact ND2-O 3.46Å; N624-F629 PolarHBondContact OD1-N 3.46Å; N624-F629 PolarHBondContact OD1-O 2.86Å; N624-L656 HydrophobicContact CB-CD2 4.36Å
625E88.1Confident93.8Very high99 Ų9974.3 Ų74.346%0.46335%0.351SS..G310 helixtrans-62.2132.4-178.8-51.9168.7-135.300111.8G623 N627 L628 R648 Y654G623-E625 VanDerWaalsContact C-N 3.33Å; G623-E625 PolarHBondContact O-N 3.27Å; E625-N627 PolarHBondContact O-N 3.16Å; E625-N627 VanDerWaalsContact O-N 3.1Å; E625-L628 PolarHBondContact O-N 3.3Å; E625-L628 VanDerWaalsContact O-N 3.09Å; E625-R648 IonicContact OE1-CZ 3.38Å; E625-R648 IonicContact OE1-NH1 3.86Å; E625-R648 PolarHBondContact OE1-NH1 3.25Å; E625-R648 IonicContact OE1-NH2 3.24Å; E625-R648 PolarHBondContact OE1-NH2 3.38Å; E625-R648 IonicContact OE2-CZ 2.84Å; E625-R648 IonicContact OE2-NH1 3.33Å; E625-R648 PolarHBondContact OE2-NH1 3.27Å; E625-Y654 HydrophobicContact CB-CE1 4.05Å; E625-Y654 HydrophobicContact CG-CD1 4.32Å; E625-Y654 HydrophobicContact CG-CE1 4.16Å
626M85.5Confident93.7Very high147 Ų14770 Ų7072%0.72434%0.335SS*.G310 helixtrans54.527175.7-62-60.7-63.700115.1N624 L628 R642N624-M626 PolarHBondContact O-N 3.47Å; M626-L628 VanDerWaalsContact C-N 3.31Å; M626-L628 PolarHBondContact O-N 2.76Å; M626-R642 PolarHBondContact O-NH1 2.73Å; M626-R642 VanDerWaalsContact O-NH1 3.08Å
627N90.8Very high93.7Very high117 Ų11770.6 Ų70.663%0.62634%0.337SS*.G310 helixtrans51.847.2-173.4-60.8-29.3000111.8E625 F629 A641E625-N627 PolarHBondContact O-N 3.16Å; E625-N627 VanDerWaalsContact O-N 3.1Å; N627-F629 VanDerWaalsContact C-N 3.34Å; N627-A641 WeakPolarHBondContact O-CB 3.31Å
628L92.5Very high93.6Very high5 Ų569.4 Ų69.43%0.02633%0.33CS..  trans-67-36175.9178.863.9000111.9N624 E625 M626 T640 A641 R642 V644 Y654N624-L628 PolarHBondContact OD1-N 2.79Å; E625-L628 PolarHBondContact O-N 3.3Å; E625-L628 VanDerWaalsContact O-N 3.09Å; M626-L628 VanDerWaalsContact C-N 3.31Å; M626-L628 PolarHBondContact O-N 2.76Å; L628-T640 CarbonylContact O-C 3.57Å; L628-A641 WeakPolarHBondContact O-CB 3.22Å; L628-A641 PolarHBondContact O-N 3.44Å; L628-R642 HydrophobicContact CD1-CB 4.02Å; L628-R642 WeakPolarHBondContact CD1-O 3.09Å; L628-R642 PolarHBondContact O-N 3.23Å; L628-V644 HydrophobicContact CD2-CG2 4.35Å; L628-Y654 HydrophobicContact CD2-CD2 4.3Å; L628-Y654 HydrophobicContact CD2-CE1 3.92Å; L628-Y654 HydrophobicContact CD2-CE2 3.43Å; L628-Y654 VanDerWaalsContact CD2-CE2 3.43Å; L628-Y654 WeakPolarHBondContact CD2-OH 3.11Å
629F95.1Very high93.6Very high1 Ų172.9 Ų72.90%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-108.2154.9-178.4-58.2-83.4000111.5L590 L600 I620 N624 N627 L638 R639 Y654 L656 V676L590-F629 HydrophobicContact CD2-CE1 3.99Å; L590-F629 HydrophobicContact CD2-CZ 4.06Å; L600-F629 HydrophobicContact CD2-CE1 4.25Å; I620-F629 HydrophobicContact CD1-CB 4.06Å; N624-F629 PolarHBondContact ND2-O 3.46Å; N624-F629 PolarHBondContact OD1-N 3.46Å; N624-F629 PolarHBondContact OD1-O 2.86Å; N627-F629 VanDerWaalsContact C-N 3.34Å; F629-L638 HydrophobicContact CB-CD1 3.82Å; F629-L638 HydrophobicContact CD1-CD1 4.18Å; F629-L638 HydrophobicContact CD1-CG 4.44Å; F629-L638 HydrophobicContact CG-CD1 4.26Å; F629-R639 CarbonylContact C-O 3.57Å; F629-R639 WeakPolarHBondContact CA-O 3.42Å; F629-Y654 AromaticContact CE2-CD1 3.8Å; F629-Y654 HydrophobicContact CE2-CD1 3.8Å; F629-Y654 AromaticContact CE2-CD2 3.83Å; F629-Y654 HydrophobicContact CE2-CD2 3.83Å; F629-Y654 HydrophobicContact CE2-CE1 4.21Å; F629-Y654 HydrophobicContact CE2-CE2 4.26Å; F629-Y654 AromaticContact CE2-CG 3.6Å; F629-Y654 HydrophobicContact CE2-CG 3.6Å; F629-Y654 AromaticContact CZ-CD2 3.89Å; F629-Y654 HydrophobicContact CZ-CD2 3.89Å; F629-Y654 HydrophobicContact CZ-CE2 4.34Å; F629-Y654 HydrophobicContact CZ-CG 4.07Å; F629-L656 HydrophobicContact CB-CD1 4.47Å; F629-L656 HydrophobicContact CD1-CD1 4.31Å; F629-L656 HydrophobicContact CD2-CD1 3.95Å; F629-L656 HydrophobicContact CD2-CD2 3.79Å; F629-L656 HydrophobicContact CD2-CG 4.42Å; F629-L656 HydrophobicContact CE2-CD1 4.24Å; F629-L656 HydrophobicContact CE2-CD2 4.09Å; F629-L656 HydrophobicContact CG-CD1 3.98Å; F629-V676 HydrophobicContact CE1-CG1 4.14Å; F629-V676 HydrophobicContact CE1-CG2 4.18Å; F629-V676 HydrophobicContact CZ-CB 4.07Å; F629-V676 HydrophobicContact CZ-CG1 3.89Å; F629-V676 HydrophobicContact CZ-CG2 3.9Å
630R95Very high93.5Very high179 Ų17970.6 Ų70.668%0.67533%0.326SS*.EExtended strand (participates in β ladder)trans-130.3141.1165.9-84.6166.7-171.3-174.21.9108.2R639 A641R630-R639 PolarHBondContact N-O 3.08Å; R630-R639 PolarHBondContact O-N 2.85Å; R630-A641 HydrophobicContact CB-CB 4.34Å; R630-A641 HydrophobicContact CG-CB 3.72Å
631M95.6Very high93.4Very high31 Ų3169.8 Ų69.815%0.15333%0.326CS..EExtended strand (participates in β ladder)trans-111.8134.8170.8178.9156.8-82.100108.2V603 I620 E637 L638 I658V603-M631 HydrophobicContact CB-CE 4.37Å; V603-M631 HydrophobicContact CG2-CE 3.59Å; I620-M631 HydrophobicContact CD1-CB 3.92Å; I620-M631 HydrophobicContact CG1-CB 3.77Å; I620-M631 HydrophobicContact CG1-CE 4.45Å; I620-M631 HydrophobicContact CG1-SD 4.14Å; M631-E637 WeakPolarHBondContact CA-O 3.01Å; M631-L638 HydrophobicContact CE-CB 4.08Å; M631-L638 HydrophobicContact CE-CD1 4.3Å; M631-I658 HydrophobicContact CE-CD1 3.95Å; M631-I658 HydrophobicContact CE-CG1 3.78Å; M631-I658 HydrophobicContact CE-CG2 3.98Å; M631-I658 HydrophobicContact SD-CG1 4.32Å; M631-I658 HydrophobicContact SD-CG2 3.8Å
632D95.9Very high93.2Very high64 Ų6472.1 Ų72.134%0.34233%0.325SS..  trans-73.8127.7166.7-178-41.7000109.2R634 T635 G636 E637D632-R634 VanDerWaalsContact C-N 3.32Å; D632-R634 PolarHBondContact O-N 2.9Å; D632-R634 PolarHBondContact OD1-N 3.35Å; D632-T635 WeakPolarHBondContact CB-OG1 3.4Å; D632-T635 PolarHBondContact OD1-N 3.01Å; D632-T635 PolarHBondContact OD1-OG1 3.15Å; D632-T635 PolarHBondContact OD2-OG1 2.85Å; D632-T635 VanDerWaalsContact OD2-OG1 3.09Å; D632-G636 PolarHBondContact O-N 2.03Å; D632-E637 HydrophobicContact CB-CB 4.27Å; D632-E637 PolarHBondContact N-O 3.07Å
633W94.5Very high93Very high122 Ų12271.2 Ų71.246%0.46232%0.322SS..THydrogen-bonded Turntrans-71.2-22.3-173.173.4-91.5000114.3T617 Y618T617-W633 WeakPolarHBondContact CA-O 3.21Å; T617-W633 HydrophobicContact CG2-CE3 3.53Å; T617-W633 HydrophobicContact CG2-CZ3 3.65Å; Y618-W633 PolarHBondContact N-O 3.28Å; Y618-W633 WeakPolarHBondContact O-CA 3.39Å
634R94.3Very high92.8Very high157 Ų15770.7 Ų70.759%0.59231%0.313SS*.THydrogen-bonded Turntrans-97.2-41.6175.2-67.4-171.8-178.3-94.65112.4Y618 D632Y618-R634 WeakPolarHBondContact CE2-O 3.47Å; D632-R634 VanDerWaalsContact C-N 3.32Å; D632-R634 PolarHBondContact O-N 2.9Å; D632-R634 PolarHBondContact OD1-N 3.35Å
635T94.4Very high92.4Very high56 Ų5672.2 Ų72.234%0.34433%0.325SS..THydrogen-bonded Turntrans-96.7-12.3-168.267.40000114.3R602 D632 E637R602-T635 WeakPolarHBondContact CD-O 3.49Å; R602-T635 WeakPolarHBondContact CG-O 3.48Å; D632-T635 WeakPolarHBondContact CB-OG1 3.4Å; D632-T635 PolarHBondContact OD1-N 3.01Å; D632-T635 PolarHBondContact OD1-OG1 3.15Å; D632-T635 PolarHBondContact OD2-OG1 2.85Å; D632-T635 VanDerWaalsContact OD2-OG1 3.09Å; T635-E637 PolarHBondContact O-N 3Å; T635-E637 WeakPolarHBondContact OG1-CG 3.48Å
636G94.9Very high91.7Very high0 Ų072 Ų720%034%0.34CS..  trans67.79.7-176.200000113.9V603 D632 L638V603-G636 PolarHBondContact N-O 2.71Å; D632-G636 PolarHBondContact O-N 2.03Å; G636-L638 PolarHBondContact O-N 2.94Å
637E96.5Very high91.2Very high46 Ų4675.1 Ų75.122%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-66.7118.8178.4-76.7-167.6168.500111.4L599 R602 M631 D632 T635 R639L599-E637 HydrophobicContact CD1-CB 3.85Å; L599-E637 HydrophobicContact CD1-CG 3.94Å; R602-E637 HydrophobicContact CB-CG 4.34Å; R602-E637 HydrophobicContact CG-CG 3.99Å; M631-E637 WeakPolarHBondContact CA-O 3.01Å; D632-E637 HydrophobicContact CB-CB 4.27Å; D632-E637 PolarHBondContact N-O 3.07Å; T635-E637 PolarHBondContact O-N 3Å; T635-E637 WeakPolarHBondContact OG1-CG 3.48Å; E637-R639 IonicContact OE1-NH2 2.68Å; E637-R639 IonicContact OE2-CZ 2.78Å; E637-R639 IonicContact OE2-NE 3.65Å; E637-R639 PolarHBondContact OE2-NE 3.18Å; E637-R639 IonicContact OE2-NH2 3.19Å; E637-R639 PolarHBondContact OE2-NH2 3.17Å
638L95.7Very high90.6Very high0 Ų071.2 Ų71.20%033%0.326CS..EExtended strand (participates in β ladder)trans-95.1110.2177.4-179.661.1000109.6L600 T601 I620 F629 M631 G636 L656 L674L600-L638 HydrophobicContact CB-CG 4.49Å; L600-L638 WeakPolarHBondContact CB-O 2.93Å; L600-L638 HydrophobicContact CD2-CD2 3.84Å; L600-L638 HydrophobicContact CD2-CG 4.38Å; L600-L638 PolarHBondContact N-O 2.68Å; T601-L638 HydrophobicContact CG2-CB 4.32Å; T601-L638 HydrophobicContact CG2-CD2 4.38Å; T601-L638 PolarHBondContact O-N 3.03Å; I620-L638 HydrophobicContact CD1-CD1 3.71Å; F629-L638 HydrophobicContact CB-CD1 3.82Å; F629-L638 HydrophobicContact CD1-CD1 4.18Å; F629-L638 HydrophobicContact CD1-CG 4.44Å; F629-L638 HydrophobicContact CG-CD1 4.26Å; M631-L638 HydrophobicContact CE-CB 4.08Å; M631-L638 HydrophobicContact CE-CD1 4.3Å; G636-L638 PolarHBondContact O-N 2.94Å; L638-L656 HydrophobicContact CD1-CD1 3.94Å; L638-L656 HydrophobicContact CD2-CD1 3.59Å; L638-L656 HydrophobicContact CG-CD1 4.36Å; L638-L674 HydrophobicContact CD2-CD1 4.09Å; L638-L674 HydrophobicContact CD2-CD2 4.12Å
639R95.6Very high89.8Confident96 Ų9674.2 Ų74.236%0.36234%0.342SS..EExtended strand (participates in β ladder)trans-119.2152.2-177.3-67.6172.4177.2-96.65.4111.7G597 Y598 L599 F629 R630 E637G597-R639 PolarHBondContact O-NH1 3.39Å; G597-R639 VanDerWaalsContact O-NH1 3.08Å; Y598-R639 CarbonylContact O-C 3.5Å; Y598-R639 VanDerWaalsContact O-CA 3.22Å; Y598-R639 WeakPolarHBondContact O-CA 3.39Å; L599-R639 HydrophobicContact CB-CG 4.33Å; L599-R639 HydrophobicContact CD1-CG 3.89Å; F629-R639 CarbonylContact C-O 3.57Å; F629-R639 WeakPolarHBondContact CA-O 3.42Å; R630-R639 PolarHBondContact N-O 3.08Å; R630-R639 PolarHBondContact O-N 2.85Å; E637-R639 IonicContact OE1-NH2 2.68Å; E637-R639 IonicContact OE2-CZ 2.78Å; E637-R639 IonicContact OE2-NE 3.65Å; E637-R639 PolarHBondContact OE2-NE 3.18Å; E637-R639 IonicContact OE2-NH2 3.19Å; E637-R639 PolarHBondContact OE2-NH2 3.17Å
640T94.4Very high88.6Confident4 Ų476.6 Ų76.63%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-67.1132.7165.656.20000109.9L590 A594 E595 G597 Y598 L628L590-T640 HydrophobicContact CD1-CG2 3.66Å; L590-T640 HydrophobicContact CD2-CG2 4.15Å; A594-T640 HydrophobicContact CB-CG2 4.45Å; E595-T640 PolarHBondContact O-OG1 2.81Å; G597-T640 WeakPolarHBondContact CA-O 3.45Å; G597-T640 PolarHBondContact N-O 2.78Å; G597-T640 PolarHBondContact N-OG1 3.12Å; G597-T640 VanDerWaalsContact N-OG1 3.15Å; Y598-T640 WeakPolarHBondContact CB-OG1 3.3Å; Y598-T640 HydrophobicContact CD1-CG2 4.43Å; Y598-T640 PolarHBondContact N-OG1 3.12Å; Y598-T640 PolarHBondContact O-N 2.74Å; L628-T640 CarbonylContact O-C 3.57Å
641A93.6Very high87.6Confident21 Ų2176.1 Ų76.117%0.17436%0.363CS..SBendtrans-93.7-21.1170.100000112.3N627 L628 R630N627-A641 WeakPolarHBondContact O-CB 3.31Å; L628-A641 WeakPolarHBondContact O-CB 3.22Å; L628-A641 PolarHBondContact O-N 3.44Å; R630-A641 HydrophobicContact CB-CB 4.34Å; R630-A641 HydrophobicContact CG-CB 3.72Å
642R89.9Confident87.1Confident133 Ų13383.3 Ų83.350%0.50239%0.389SS..SBendtrans-145.8165.7-176.8-54.3177.771.2-173.82.8109.1M626 L628M626-R642 PolarHBondContact O-NH1 2.73Å; M626-R642 VanDerWaalsContact O-NH1 3.08Å; L628-R642 HydrophobicContact CD1-CB 4.02Å; L628-R642 WeakPolarHBondContact CD1-O 3.09Å; L628-R642 PolarHBondContact O-N 3.23Å
643R89.1Confident86.8Confident150 Ų15082.2 Ų82.257%0.56639%0.385SS*.PPolyproline II helixtrans-73.6152.9168-64.5-168.9-177.5-175.34.8110.8E595 P596E595-R643 IonicContact OE1-CZ 3.61Å; E595-R643 VanDerWaalsContact OE1-CZ 3.24Å; E595-R643 IonicContact OE1-NE 3.24Å; E595-R643 IonicContact OE1-NH1 2.73Å; E595-R643 IonicContact OE1-NH2 3.98Å; E595-R643 PolarHBondContact OE1-NH2 2.93Å; E595-R643 IonicContact OE2-CZ 3.93Å; E595-R643 IonicContact OE2-NE 3.09Å; E595-R643 PolarHBondContact OE2-NE 2.83Å; E595-R643 IonicContact OE2-NH2 2.86Å; E595-R643 PolarHBondContact OE2-NH2 3.29Å; P596-R643 HydrophobicContact CG-CG 4.16Å
644V85.7Confident86.6Confident17 Ų1776.6 Ų76.610%0.10336%0.364CS..PPolyproline II helixtrans-63.9128.2175-176.20000109.8L590 L628 A646 R648 L678L590-V644 HydrophobicContact CD2-CG2 3.88Å; L628-V644 HydrophobicContact CD2-CG2 4.35Å; V644-A646 PolarHBondContact O-N 3.05Å; V644-R648 HydrophobicContact CG1-CB 4.34Å; V644-L678 HydrophobicContact CG1-CD1 3.99Å; V644-L678 HydrophobicContact CG1-CD2 4.06Å; V644-L678 HydrophobicContact CG2-CD2 3.83Å
645P83.1Confident86.5Confident72 Ų7275 Ų7547%0.46836%0.363SS..PPolyproline II helixtrans-63.1131.2179.8-2333.6000112.1K647 R648P645-K647 PolarHBondContact O-N 2.85Å; P645-R648 WeakPolarHBondContact O-CB 3.31Å; P645-R648 PolarHBondContact O-N 3.44Å
646A74Confident86.5Confident95 Ų9572.3 Ų72.379%0.78535%0.346SS*.THydrogen-bonded Turntrans-57-26.4-176.700000114.6V644 R648V644-A646 PolarHBondContact O-N 3.05Å; A646-R648 VanDerWaalsContact C-N 3.31Å; A646-R648 PolarHBondContact O-N 3.33Å
647K73.9Confident86.5Confident211 Ų21172.7 Ų72.792%0.91735%0.349SS*.THydrogen-bonded Turntrans-77-7175.7-70.1-173.9176.8-177.90114.5P645P645-K647 PolarHBondContact O-N 2.85Å
648R78.5Confident86.4Confident36 Ų3670.6 Ų70.614%0.13634%0.339CS..SBendtrans-73.8131.2-178.1-174.6168.2-173.8105.9-4.6110.7R592 E625 V644 P645 A646 R652 P653 Y654 L678R592-R648 PolarHBondContact NH1-O 2.82Å; R592-R648 PolarHBondContact NH2-O 3.31Å; E625-R648 IonicContact OE1-CZ 3.38Å; E625-R648 IonicContact OE1-NH1 3.86Å; E625-R648 PolarHBondContact OE1-NH1 3.25Å; E625-R648 IonicContact OE1-NH2 3.24Å; E625-R648 PolarHBondContact OE1-NH2 3.38Å; E625-R648 IonicContact OE2-CZ 2.84Å; E625-R648 IonicContact OE2-NH1 3.33Å; E625-R648 PolarHBondContact OE2-NH1 3.27Å; V644-R648 HydrophobicContact CG1-CB 4.34Å; P645-R648 WeakPolarHBondContact O-CB 3.31Å; P645-R648 PolarHBondContact O-N 3.44Å; A646-R648 VanDerWaalsContact C-N 3.31Å; A646-R648 PolarHBondContact O-N 3.33Å; R648-R652 PolarHBondContact NE-O 3.46Å; R648-R652 PolarHBondContact NH2-O 3.17Å; R648-P653 PolarHBondContact NH2-O 3.28Å; R648-Y654 WeakPolarHBondContact CD-OH 3.39Å; R648-Y654 VanDerWaalsContact CZ-CE2 3.49Å; R648-Y654 VanDerWaalsContact NE-CE2 3.26Å; R648-Y654 VanDerWaalsContact NE-CZ 3.27Å; R648-Y654 PolarHBondContact NE-OH 3.14Å; R648-Y654 VanDerWaalsContact NH1-CZ 3.26Å; R648-Y654 PolarHBondContact NH1-OH 2.83Å; R648-L678 HydrophobicContact CG-CD1 3.99Å
649D76.3Confident86.4Confident68 Ų6871.7 Ų71.736%0.36434%0.344SS..  trans-64.6121.2170.5-179.21.2000110.4Q651 R652D649-Q651 PolarHBondContact O-N 2.55Å; D649-Q651 WeakPolarHBondContact OD1-CB 3.23Å; D649-Q651 PolarHBondContact OD1-N 3.48Å; D649-R652 PolarHBondContact O-N 3.16Å
650P70.6Confident86.5Confident50 Ų5067.1 Ų67.133%0.32533%0.327SS..THydrogen-bonded Turntrans-64-22.4175.627.3-34000113.1R652P650-R652 VanDerWaalsContact C-N 3.26Å; P650-R652 PolarHBondContact O-N 2.76Å
651Q74.1Confident86.6Confident169 Ų16972.3 Ų72.379%0.7935%0.346SS*.THydrogen-bonded Turntrans-76.3-11.1-179.1-55.7-172.812.500113.5D649 P653D649-Q651 PolarHBondContact O-N 2.55Å; D649-Q651 WeakPolarHBondContact OD1-CB 3.23Å; D649-Q651 PolarHBondContact OD1-N 3.48Å; Q651-P653 WeakPolarHBondContact O-CD 3.39Å
652R83.9Confident86.7Confident183 Ų18371.4 Ų71.469%0.69134%0.338SS*.SBendtrans-104.399.8174.2-68.8-169-178.8-155.9-0.8110.7R648 D649 P650R648-R652 PolarHBondContact NE-O 3.46Å; R648-R652 PolarHBondContact NH2-O 3.17Å; D649-R652 PolarHBondContact O-N 3.16Å; P650-R652 VanDerWaalsContact C-N 3.26Å; P650-R652 PolarHBondContact O-N 2.76Å
653P89Confident87Confident40 Ų4068.7 Ų68.726%0.2633%0.331SS..  trans-64.1168.1175.630.1-35.8000111.2R648 Q651 V675 V676 Q677R648-P653 PolarHBondContact NH2-O 3.28Å; Q651-P653 WeakPolarHBondContact O-CD 3.39Å; P653-V675 HydrophobicContact CB-CG1 3.73Å; P653-V675 HydrophobicContact CG-CG1 3.9Å; P653-V676 CarbonylContact C-O 3.6Å; P653-V676 VanDerWaalsContact CA-O 3.25Å; P653-V676 WeakPolarHBondContact CA-O 3.35Å; P653-V676 WeakPolarHBondContact CB-O 3.41Å; P653-Q677 HydrophobicContact CB-CG 4.28Å
654Y90.8Very high87.2Confident5 Ų561.8 Ų61.82%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-87.8136.9162.2-64.5-94.8000108.9E625 L628 F629 R648 V675 V676 L678E625-Y654 HydrophobicContact CB-CE1 4.05Å; E625-Y654 HydrophobicContact CG-CD1 4.32Å; E625-Y654 HydrophobicContact CG-CE1 4.16Å; L628-Y654 HydrophobicContact CD2-CD2 4.3Å; L628-Y654 HydrophobicContact CD2-CE1 3.92Å; L628-Y654 HydrophobicContact CD2-CE2 3.43Å; L628-Y654 VanDerWaalsContact CD2-CE2 3.43Å; L628-Y654 WeakPolarHBondContact CD2-OH 3.11Å; F629-Y654 AromaticContact CE2-CD1 3.8Å; F629-Y654 HydrophobicContact CE2-CD1 3.8Å; F629-Y654 AromaticContact CE2-CD2 3.83Å; F629-Y654 HydrophobicContact CE2-CD2 3.83Å; F629-Y654 HydrophobicContact CE2-CE1 4.21Å; F629-Y654 HydrophobicContact CE2-CE2 4.26Å; F629-Y654 AromaticContact CE2-CG 3.6Å; F629-Y654 HydrophobicContact CE2-CG 3.6Å; F629-Y654 AromaticContact CZ-CD2 3.89Å; F629-Y654 HydrophobicContact CZ-CD2 3.89Å; F629-Y654 HydrophobicContact CZ-CE2 4.34Å; F629-Y654 HydrophobicContact CZ-CG 4.07Å; R648-Y654 WeakPolarHBondContact CD-OH 3.39Å; R648-Y654 VanDerWaalsContact CZ-CE2 3.49Å; R648-Y654 VanDerWaalsContact NE-CE2 3.26Å; R648-Y654 VanDerWaalsContact NE-CZ 3.27Å; R648-Y654 PolarHBondContact NE-OH 3.14Å; R648-Y654 VanDerWaalsContact NH1-CZ 3.26Å; R648-Y654 PolarHBondContact NH1-OH 2.83Å; Y654-V675 CarbonylContact O-C 3.5Å; Y654-V675 VanDerWaalsContact O-CA 3.32Å; Y654-V675 WeakPolarHBondContact O-CA 3.28Å; Y654-V676 PolarHBondContact N-O 3.38Å; Y654-V676 PolarHBondContact O-N 3.42Å; Y654-L678 HydrophobicContact CE2-CD1 4.12Å; Y654-L678 HydrophobicContact CE2-CD2 4.32Å; Y654-L678 HydrophobicContact CE2-CG 4.47Å
655E92.5Very high87.5Confident122 Ų12269 Ų6957%0.5734%0.339SS*.EExtended strand (participates in β ladder)trans-112.588.5174.9-54.8-165154.500108.5G623 V675G623-E655 VanDerWaalsContact CA-O 3.29Å; G623-E655 WeakPolarHBondContact CA-O 3.28Å; E655-V675 HydrophobicContact CG-CG2 4.2Å
656L94.3Very high88Confident0 Ų069.5 Ų69.50%034%0.342CS..EExtended strand (participates in β ladder)trans-77.6135.2179.3-54.8-178.9000109.1I620 R622 G623 N624 F629 L638 T673 L674 V676I620-L656 HydrophobicContact CG2-CB 4.41Å; I620-L656 HydrophobicContact CG2-CD2 4.38Å; R622-L656 WeakPolarHBondContact O-CA 3.43Å; G623-L656 VanDerWaalsContact C-CD2 3.42Å; G623-L656 WeakPolarHBondContact O-CD2 3.14Å; N624-L656 HydrophobicContact CB-CD2 4.36Å; F629-L656 HydrophobicContact CB-CD1 4.47Å; F629-L656 HydrophobicContact CD1-CD1 4.31Å; F629-L656 HydrophobicContact CD2-CD1 3.95Å; F629-L656 HydrophobicContact CD2-CD2 3.79Å; F629-L656 HydrophobicContact CD2-CG 4.42Å; F629-L656 HydrophobicContact CE2-CD1 4.24Å; F629-L656 HydrophobicContact CE2-CD2 4.09Å; F629-L656 HydrophobicContact CG-CD1 3.98Å; L638-L656 HydrophobicContact CD1-CD1 3.94Å; L638-L656 HydrophobicContact CD2-CD1 3.59Å; L638-L656 HydrophobicContact CG-CD1 4.36Å; L656-T673 CarbonylContact O-C 3.55Å; L656-T673 WeakPolarHBondContact O-CA 3.25Å; L656-L674 PolarHBondContact N-O 2.88Å; L656-L674 PolarHBondContact O-N 2.98Å; L656-V676 HydrophobicContact CD1-CG2 3.84Å; L656-V676 HydrophobicContact CG-CG2 4.14Å
657V95.2Very high89.1Confident9 Ų968 Ų686%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-108.2120.1164179.30000108.2V621 R622 T671 A672 T673V621-V657 PolarHBondContact N-O 2.71Å; R622-V657 HydrophobicContact CG-CB 3.68Å; R622-V657 HydrophobicContact CG-CG2 3.83Å; R622-V657 VanDerWaalsContact NE-CG2 3.32Å; R622-V657 PolarHBondContact O-N 2.77Å; V657-T671 HydrophobicContact CG1-CG2 4.48Å; V657-A672 WeakPolarHBondContact CA-O 3.04Å; V657-T673 HydrophobicContact CG2-CG2 4.29Å
658I94.8Very high90.1Very high1 Ų160.2 Ų60.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-101.2135.1-179.8-66.2146.4000107.4V603 S619 M631 T671 A672 L674V603-I658 HydrophobicContact CG1-CG2 4.23Å; V603-I658 HydrophobicContact CG2-CD1 3.83Å; V603-I658 HydrophobicContact CG2-CG2 4.29Å; S619-I658 CarbonylContact O-C 3.55Å; S619-I658 VanDerWaalsContact O-CA 3.26Å; S619-I658 WeakPolarHBondContact O-CA 3.22Å; M631-I658 HydrophobicContact CE-CD1 3.95Å; M631-I658 HydrophobicContact CE-CG1 3.78Å; M631-I658 HydrophobicContact CE-CG2 3.98Å; M631-I658 HydrophobicContact SD-CG1 4.32Å; M631-I658 HydrophobicContact SD-CG2 3.8Å; I658-T671 CarbonylContact O-C 3.57Å; I658-T671 WeakPolarHBondContact O-CA 3.42Å; I658-T671 WeakPolarHBondContact O-CB 3.46Å; I658-A672 PolarHBondContact N-O 2.84Å; I658-A672 PolarHBondContact O-N 2.87Å; I658-L674 HydrophobicContact CD1-CB 3.83Å; I658-L674 HydrophobicContact CD1-CD1 3.7Å; I658-L674 HydrophobicContact CD1-CG 4.41Å
659E95.8Very high90.9Very high24 Ų2461.3 Ų61.311%0.11231%0.306CS..EExtended strand (participates in β ladder)trans-108.7135.8170.7-179.5-177.9-17800108.8S619 V621 R661 S669 S670 T671S619-E659 PolarHBondContact N-O 2.87Å; S619-E659 PolarHBondContact O-N 2.91Å; V621-E659 HydrophobicContact CG2-CB 3.54Å; E659-R661 VanDerWaalsContact CD-NH2 3.3Å; E659-R661 IonicContact OE1-CZ 2.63Å; E659-R661 IonicContact OE1-NE 3.78Å; E659-R661 PolarHBondContact OE1-NE 2.83Å; E659-R661 IonicContact OE1-NH2 2.7Å; E659-R661 PolarHBondContact OE1-NH2 3.25Å; E659-R661 IonicContact OE2-NH2 2.73Å; E659-R661 PolarHBondContact OE2-NH2 3.07Å; E659-S669 WeakPolarHBondContact OE1-CB 3.48Å; E659-S670 WeakPolarHBondContact CA-O 3.4Å; E659-T671 HydrophobicContact CB-CG2 4.22Å; E659-T671 HydrophobicContact CG-CG2 4.35Å
660V96.4Very high91.8Very high0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-110.3130.3164-172.90000107.1P572 I574 V603 A605 L616 T617 Y618 S669 S670P572-V660 HydrophobicContact CB-CG1 3.97Å; P572-V660 HydrophobicContact CG-CG1 4.43Å; I574-V660 HydrophobicContact CD1-CG2 4.43Å; I574-V660 HydrophobicContact CG1-CG2 3.76Å; V603-V660 HydrophobicContact CG1-CG2 4.49Å; A605-V660 HydrophobicContact CB-CB 4.27Å; A605-V660 HydrophobicContact CB-CG1 3.72Å; A605-V660 HydrophobicContact CB-CG2 3.99Å; L616-V660 HydrophobicContact CB-CG1 4.24Å; L616-V660 HydrophobicContact CD2-CG1 3.95Å; T617-V660 WeakPolarHBondContact O-CA 3.47Å; Y618-V660 HydrophobicContact CD1-CG1 4.39Å; Y618-V660 HydrophobicContact CD1-CG2 3.66Å; Y618-V660 HydrophobicContact CE1-CG1 4.11Å; Y618-V660 HydrophobicContact CE1-CG2 3.71Å; V660-S669 CarbonylContact O-C 3.57Å; V660-S669 WeakPolarHBondContact O-CA 3.46Å; V660-S669 WeakPolarHBondContact O-CB 3.46Å; V660-S670 PolarHBondContact N-O 3.01Å; V660-S670 PolarHBondContact O-N 2.78Å
661R96.4Very high92.9Very high112 Ų11261.4 Ų61.442%0.42331%0.309SS..EExtended strand (participates in β ladder)trans-137.4135.2-179.1-167.9-171.5-63.9177.61.8110.1T617 E659 P667 L668T617-R661 PolarHBondContact N-O 3.11Å; T617-R661 PolarHBondContact O-N 2.91Å; T617-R661 PolarHBondContact OG1-O 2.8Å; E659-R661 VanDerWaalsContact CD-NH2 3.3Å; E659-R661 IonicContact OE1-CZ 2.63Å; E659-R661 IonicContact OE1-NE 3.78Å; E659-R661 PolarHBondContact OE1-NE 2.83Å; E659-R661 IonicContact OE1-NH2 2.7Å; E659-R661 PolarHBondContact OE1-NH2 3.25Å; E659-R661 IonicContact OE2-NH2 2.73Å; E659-R661 PolarHBondContact OE2-NH2 3.07Å; R661-P667 HydrophobicContact CG-CB 4.34Å; R661-L668 WeakPolarHBondContact CA-O 3.18Å; R661-L668 WeakPolarHBondContact CG-O 3.11Å
662D96.8Very high93.8Very high2 Ų254.6 Ų54.61%0.01128%0.282CS..  trans-75-177.8168.957.673.1000112.7N568 P572 N613 R615 G664 P667 L668N568-D662 PolarHBondContact ND2-OD1 2.92Å; N568-D662 PolarHBondContact OD1-OD1 3.37Å; P572-D662 WeakPolarHBondContact CD-OD2 3.3Å; N613-D662 WeakPolarHBondContact O-CB 3.49Å; R615-D662 WeakPolarHBondContact O-CA 3.24Å; D662-G664 PolarHBondContact OD1-N 2.88Å; D662-P667 WeakPolarHBondContact OD1-CA 3.44Å; D662-L668 VanDerWaalsContact CG-N 3.34Å; D662-L668 PolarHBondContact N-O 3.46Å; D662-L668 PolarHBondContact OD1-N 2.92Å; D662-L668 WeakPolarHBondContact OD2-CA 3.35Å; D662-L668 VanDerWaalsContact OD2-CB 3.24Å; D662-L668 WeakPolarHBondContact OD2-CB 3.01Å; D662-L668 PolarHBondContact OD2-N 2.93Å
663H95.9Very high94.2Very high76 Ų7648.4 Ų48.435%0.35227%0.265SS..  trans-116.617.4177.8-72.2-129.9000111.4E612 R615 T617E612-H663 HydrophobicContact CB-CB 4.21Å; E612-H663 CarbonylContact O-C 3.5Å; E612-H663 VanDerWaalsContact O-C 3.28Å; E612-H663 WeakPolarHBondContact O-CA 3.14Å; E612-H663 PolarHBondContact O-N 3.33Å; R615-H663 HydrophobicContact CB-CB 4.17Å; R615-H663 HydrophobicContact CG-CB 4.48Å; R615-H663 PolarHBondContact O-CD2 3.47Å; T617-H663 WeakPolarHBondContact CG2-NE2 3.48Å; T617-H663 PolarHBondContact OG1-NE2 3.42Å
664G93.2Very high94.4Very high5 Ų546.6 Ų46.65%0.05225%0.253CS..SBendtrans-72.7-179.8176.600000113.2E612 N613 D662 P666 P667E612-G664 PolarHBondContact O-N 3.21Å; N613-G664 WeakPolarHBondContact OD1-CA 3.39Å; D662-G664 PolarHBondContact OD1-N 2.88Å; G664-P666 CarbonylContact O-C 3.43Å; G664-P667 WeakPolarHBondContact O-CA 3.29Å; G664-P667 WeakPolarHBondContact O-CB 3.41Å; G664-P667 VanDerWaalsContact O-CD 3.28Å; G664-P667 WeakPolarHBondContact O-CD 3.39Å; G664-P667 VanDerWaalsContact O-N 3.11Å
665Q92.5Very high94.5Very high168 Ų16846.7 Ų46.779%0.78525%0.254SS*.SBendtrans-136.3104.5-177.1-175.459.161.800111
666P94.1Very high94.5Very high83 Ų8340.9 Ų40.954%0.53923%0.227SC..SBendcis-74.5142.52.832.4-34.9000112.4N568 G664N568-P666 PolarHBondContact ND2-O 3.32Å; G664-P666 CarbonylContact O-C 3.43Å
667P95.4Very high94.3Very high64 Ų6444.1 Ų44.142%0.41624%0.242SC..PPolyproline II helixtrans-72.8135.9-179.228.1-33.8000111.4R661 D662 G664R661-P667 HydrophobicContact CG-CB 4.34Å; D662-P667 WeakPolarHBondContact OD1-CA 3.44Å; G664-P667 WeakPolarHBondContact O-CA 3.29Å; G664-P667 WeakPolarHBondContact O-CB 3.41Å; G664-P667 VanDerWaalsContact O-CD 3.28Å; G664-P667 WeakPolarHBondContact O-CD 3.39Å; G664-P667 VanDerWaalsContact O-N 3.11Å
668L96.2Very high94Very high48 Ų4844.2 Ų44.225%0.25124%0.242SC..PPolyproline II helixtrans-100.3164.7179.3-57.8177.1000110.3N568 N570 A571 R661 D662N568-L668 PolarHBondContact ND2-N 2.87Å; N568-L668 WeakPolarHBondContact O-CD1 3.44Å; N570-L668 WeakPolarHBondContact O-CD1 3.08Å; A571-L668 HydrophobicContact CB-CB 3.97Å; A571-L668 HydrophobicContact CB-CD1 4.17Å; R661-L668 WeakPolarHBondContact CA-O 3.18Å; R661-L668 WeakPolarHBondContact CG-O 3.11Å; D662-L668 VanDerWaalsContact CG-N 3.34Å; D662-L668 PolarHBondContact N-O 3.46Å; D662-L668 PolarHBondContact OD1-N 2.92Å; D662-L668 WeakPolarHBondContact OD2-CA 3.35Å; D662-L668 VanDerWaalsContact OD2-CB 3.24Å; D662-L668 WeakPolarHBondContact OD2-CB 3.01Å; D662-L668 PolarHBondContact OD2-N 2.93Å
669S95.8Very high93.4Very high59 Ų5946.7 Ų46.741%0.41326%0.257SS..EExtended strand (participates in β ladder)trans-156.5155.1179.261.40000113E659 V660E659-S669 WeakPolarHBondContact OE1-CB 3.48Å; V660-S669 CarbonylContact O-C 3.57Å; V660-S669 WeakPolarHBondContact O-CA 3.46Å; V660-S669 WeakPolarHBondContact O-CB 3.46Å
670S94.6Very high92.3Very high27 Ų2751.2 Ų51.219%0.18928%0.282CS..EExtended strand (participates in β ladder)trans-130.1160.7167.866.60000111.1P572 I574 E659 V660P572-S670 WeakPolarHBondContact O-CB 3.42Å; P572-S670 PolarHBondContact O-OG 3.14Å; I574-S670 WeakPolarHBondContact CD1-OG 3.36Å; E659-S670 WeakPolarHBondContact CA-O 3.4Å; V660-S670 PolarHBondContact N-O 3.01Å; V660-S670 PolarHBondContact O-N 2.78Å
671T93.9Very high90.4Very high92 Ų9252.8 Ų52.856%0.56430%0.298SS*.EExtended strand (participates in β ladder)trans-129.3139.8-179.1650000112.3V657 I658 E659V657-T671 HydrophobicContact CG1-CG2 4.48Å; I658-T671 CarbonylContact O-C 3.57Å; I658-T671 WeakPolarHBondContact O-CA 3.42Å; I658-T671 WeakPolarHBondContact O-CB 3.46Å; E659-T671 HydrophobicContact CB-CG2 4.22Å; E659-T671 HydrophobicContact CG-CG2 4.35Å
672A91.9Very high88Confident27 Ų2751.7 Ų51.722%0.22331%0.313CS..EExtended strand (participates in β ladder)trans-117.8143.3171.700000110I574 V657 I658I574-A672 HydrophobicContact CD1-CB 3.97Å; I574-A672 HydrophobicContact CG1-CB 4.18Å; I574-A672 HydrophobicContact CG2-CB 4.4Å; V657-A672 WeakPolarHBondContact CA-O 3.04Å; I658-A672 PolarHBondContact N-O 2.84Å; I658-A672 PolarHBondContact O-N 2.87Å
673T93.1Very high85.4Confident52 Ų5256.4 Ų56.432%0.31934%0.342SS..EExtended strand (participates in β ladder)trans-100.8133.2168.8-55.10000109.5P585 A586 L656 V657P585-T673 WeakPolarHBondContact CA-O 3.44Å; P585-T673 HydrophobicContact CB-CG2 3.95Å; P585-T673 WeakPolarHBondContact CB-O 3.08Å; P585-T673 HydrophobicContact CG-CG2 3.81Å; A586-T673 PolarHBondContact N-O 2.89Å; L656-T673 CarbonylContact O-C 3.55Å; L656-T673 WeakPolarHBondContact O-CA 3.25Å; V657-T673 HydrophobicContact CG2-CG2 4.29Å
674L93.2Very high82.9Confident3 Ų360.6 Ų60.62%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-129.6116.8-175.5-166.5159.7000109.6P577 A586 E588 L600 T601 L638 L656 I658 V676P577-L674 HydrophobicContact CG-CD1 3.93Å; A586-L674 CarbonylContact O-C 3.58Å; A586-L674 WeakPolarHBondContact O-CA 3.45Å; E588-L674 HydrophobicContact CB-CD2 4.03Å; E588-L674 HydrophobicContact CG-CD1 4.27Å; E588-L674 HydrophobicContact CG-CD2 3.83Å; E588-L674 HydrophobicContact CG-CG 4.16Å; L600-L674 HydrophobicContact CD2-CD2 4.33Å; T601-L674 HydrophobicContact CG2-CD1 3.78Å; L638-L674 HydrophobicContact CD2-CD1 4.09Å; L638-L674 HydrophobicContact CD2-CD2 4.12Å; L656-L674 PolarHBondContact N-O 2.88Å; L656-L674 PolarHBondContact O-N 2.98Å; I658-L674 HydrophobicContact CD1-CB 3.83Å; I658-L674 HydrophobicContact CD1-CD1 3.7Å; I658-L674 HydrophobicContact CD1-CG 4.41Å; L674-V676 HydrophobicContact CD2-CG2 3.63Å
675V93.2Very high80.2Confident7 Ų766.3 Ų66.34%0.04240%0.398CS..EExtended strand (participates in β ladder)trans-97.2104.9-174.7172.90000109P585 A586 R587 E588 P653 Y654 E655 Q677P585-V675 HydrophobicContact CB-CB 4.39Å; P585-V675 HydrophobicContact CB-CG2 3.48Å; P585-V675 VanDerWaalsContact CB-CG2 3.48Å; P585-V675 HydrophobicContact CG-CG2 4.07Å; A586-V675 PolarHBondContact O-N 3.47Å; R587-V675 WeakPolarHBondContact CA-O 3.06Å; R587-V675 HydrophobicContact CG-CB 4.04Å; R587-V675 HydrophobicContact CG-CG1 4.24Å; E588-V675 PolarHBondContact N-O 2.8Å; P653-V675 HydrophobicContact CB-CG1 3.73Å; P653-V675 HydrophobicContact CG-CG1 3.9Å; Y654-V675 CarbonylContact O-C 3.5Å; Y654-V675 VanDerWaalsContact O-CA 3.32Å; Y654-V675 WeakPolarHBondContact O-CA 3.28Å; E655-V675 HydrophobicContact CG-CG2 4.2Å; V675-Q677 HydrophobicContact CG1-CG 4.06Å; V675-Q677 PolarHBondContact O-N 3.11Å
676V92.4Very high77.7Confident0 Ų067.8 Ų67.80%041%0.405CS..EExtended strand (participates in β ladder)trans-87.3106.9178.3-167.30000109.7E588 L590 L600 F629 P653 Y654 L656 L674E588-V676 CarbonylContact O-C 3.6Å; E588-V676 WeakPolarHBondContact O-CA 3.34Å; L590-V676 HydrophobicContact CB-CG1 3.46Å; L590-V676 VanDerWaalsContact CB-CG1 3.46Å; L590-V676 HydrophobicContact CD2-CG1 4.12Å; L590-V676 HydrophobicContact CG-CG1 4.41Å; L600-V676 HydrophobicContact CD1-CG1 4.26Å; L600-V676 HydrophobicContact CD2-CB 4.18Å; L600-V676 HydrophobicContact CD2-CG1 3.58Å; L600-V676 HydrophobicContact CD2-CG2 3.57Å; F629-V676 HydrophobicContact CE1-CG1 4.14Å; F629-V676 HydrophobicContact CE1-CG2 4.18Å; F629-V676 HydrophobicContact CZ-CB 4.07Å; F629-V676 HydrophobicContact CZ-CG1 3.89Å; F629-V676 HydrophobicContact CZ-CG2 3.9Å; P653-V676 CarbonylContact C-O 3.6Å; P653-V676 VanDerWaalsContact CA-O 3.25Å; P653-V676 WeakPolarHBondContact CA-O 3.35Å; P653-V676 WeakPolarHBondContact CB-O 3.41Å; Y654-V676 PolarHBondContact N-O 3.38Å; Y654-V676 PolarHBondContact O-N 3.42Å; L656-V676 HydrophobicContact CD1-CG2 3.84Å; L656-V676 HydrophobicContact CG-CG2 4.14Å; L674-V676 HydrophobicContact CD2-CG2 3.63Å
677Q89.3Confident74.7Confident68 Ų6867.8 Ų67.832%0.31842%0.42SS..EExtended strand (participates in β ladder)trans-90.2133.8179.2-57.9-164.4-400110.8E588 L590 P653 V675E588-Q677 PolarHBondContact O-N 2.67Å; L590-Q677 PolarHBondContact N-O 2.84Å; P653-Q677 HydrophobicContact CB-CG 4.28Å; V675-Q677 HydrophobicContact CG1-CG 4.06Å; V675-Q677 PolarHBondContact O-N 3.11Å
678L88.3Confident71.8Confident11 Ų1168.2 Ų68.26%0.05844%0.436CS..EExtended strand (participates in β ladder)trans-93.1118.7-177.6-68.3175000110.5L590 R592 V644 R648 Y654L590-L678 HydrophobicContact CB-CD2 4.24Å; L590-L678 HydrophobicContact CD2-CD2 3.92Å; L590-L678 HydrophobicContact CG-CD2 4.24Å; L590-L678 WeakPolarHBondContact O-CA 3.19Å; R592-L678 HydrophobicContact CG-CB 3.83Å; R592-L678 HydrophobicContact CG-CD2 4.11Å; R592-L678 HydrophobicContact CG-CG 4.42Å; V644-L678 HydrophobicContact CG1-CD1 3.99Å; V644-L678 HydrophobicContact CG1-CD2 4.06Å; V644-L678 HydrophobicContact CG2-CD2 3.83Å; R648-L678 HydrophobicContact CG-CD1 3.99Å; Y654-L678 HydrophobicContact CE2-CD1 4.12Å; Y654-L678 HydrophobicContact CE2-CD2 4.32Å; Y654-L678 HydrophobicContact CE2-CG 4.47Å
679V83.3Confident68.7Low53 Ų5370.2 Ų70.232%0.32147%0.468SS..EExtended strand (participates in β ladder)trans-114.6132.2-180175.40000110.9V589 L590 P591 R592 G681 V683V589-V679 HydrophobicContact CG1-CB 3.88Å; V589-V679 HydrophobicContact CG1-CG2 3.53Å; L590-V679 PolarHBondContact O-N 3.27Å; L590-V679 VanDerWaalsContact O-N 3.15Å; P591-V679 WeakPolarHBondContact CA-O 3.41Å; R592-V679 PolarHBondContact N-O 2.88Å; V679-G681 PolarHBondContact O-N 3.34Å; V679-V683 HydrophobicContact CG1-CG2 4.32Å
680D72Confident65.8Low118 Ų11871.2 Ų71.263%0.63149%0.488SS*.SBendtrans-84.580.3173.9-72-63.5000110.1R592R592-D680 WeakPolarHBondContact CD-OD1 3.39Å; R592-D680 IonicContact CZ-OD1 2.88Å; R592-D680 IonicContact NE-OD1 3.85Å; R592-D680 PolarHBondContact NE-OD1 3.27Å; R592-D680 IonicContact NE-OD2 3.52Å
681G57.8Low63Low33 Ų3376.2 Ų76.234%0.3452%0.523SS..SBendtrans160.1152.3175.700000112.8V679 V683V679-G681 PolarHBondContact O-N 3.34Å; G681-V683 PolarHBondContact O-N 2.86Å
682A45.1Very low60.2Low89 Ų8975.3 Ų75.374%0.73653%0.531SS*.  trans-72.9107.8168.400000108.6E684A682-E684 PolarHBondContact O-N 3.02Å
683V42.9Very low57.4Low102 Ų10278.1 Ų78.162%0.61856%0.564SS**  trans-74.5101.5167.6-179.80000107V589 V679 G681V589-V683 HydrophobicContact CG1-CG2 4.46Å; V679-V683 HydrophobicContact CG1-CG2 4.32Å; G681-V683 PolarHBondContact O-N 2.86Å
684E41.7Very low54.6Low163 Ų16379.6 Ų79.676%0.76259%0.589SS**  trans-62.2140166.2-70.6-171.1147.300109.5A682 Q686A682-E684 PolarHBondContact O-N 3.02Å; E684-Q686 PolarHBondContact O-N 2.83Å; E684-Q686 VanDerWaalsContact O-N 3.15Å
685P38.5Very low51.9Low126 Ų12683 Ų8382%0.81863%0.625SS**  trans-69.1114.8-174.327.3-33.8000110.7G687P685-G687 PolarHBondContact O-N 2.9Å
686Q38.3Very low49.2Very low199 Ų19989 Ų8993%0.9367%0.667SS**  trans-71.978.4173.4-75.4-171.9-7.400111.7E684E684-Q686 PolarHBondContact O-N 2.83Å; E684-Q686 VanDerWaalsContact O-N 3.15Å
687G31.4Very low46.6Very low82 Ų8292.5 Ų92.585%0.84570%0.704SS**  trans-78.7109.9148.300000108.6P685P685-G687 PolarHBondContact O-N 2.9Å
688G34.5Very low44Very low73 Ų7397.3 Ų97.375%0.75373%0.726SS**  trans-174.497.3-177.800000113.6
689G32.4Very low41.5Very low91 Ų91103.6 Ų103.694%0.93876%0.755SS**  trans-69.4141.4166.300000111.1
690G34.7Very low39.4Very low80 Ų80109.6 Ų109.683%0.82578%0.779SS**  trans-158.493.4-178.400000111.2
691S35.1Very low37.5Very low131 Ų131114.5 Ų114.592%0.91679%0.789SS**  trans-74.6147-179.7-176.80000112.5
692G34.3Very low36.5Very low73 Ų73118.2 Ų118.275%0.75381%0.807SS**  trans125.6112.4138.700000118.7
693G34.7Very low36.1Very low87 Ų87118.7 Ų118.790%0.89781%0.805SS**  116120.3128.600000119.1
694G34.3Very low35.7Very low83 Ų83124.7 Ų124.786%0.85682%0.816SS**  130.457.2128.500000122.3
695G35.9Very low35.4Very low75 Ų75122.4 Ų122.477%0.77382%0.818SS**  trans66.1169.9149.200000119.6
696S37.2Very low35Very low131 Ų131120.2 Ų120.292%0.91682%0.819SS**  cis-173.1144.3-18.345.50000109.6
697G36.4Very low34.6Very low75 Ų75114.7 Ų114.777%0.77382%0.816SS**  trans133.877.2178.200000112.7
698E35.9Very low34.7Very low168 Ų168114.3 Ų114.379%0.78581%0.812SS**  89.892.861.9-164.5-158.6142.100113.9
699H35.3Very low35.1Very low144 Ų144119 Ų11967%0.66781%0.814SS**  -170.8136.4124.4-110.440000114.6
700Q38Very low35.9Very low178 Ų178119.9 Ų119.983%0.83280%0.801SS**  trans73.6136.6159.1-65.7167.57.400121
701R32.1Very low36.7Very low222 Ų222120.8 Ų120.884%0.83880%0.795SS**  trans-157.7178.4-165.7-115.3-172.1179.2174.23106.4
702P37.3Very low37.6Very low111 Ų111121.4 Ų121.472%0.72179%0.787SS**  cis-129.2-170.216.638.9-17.5000112.5
703S37.5Very low38.9Very low99 Ų99122 Ų12269%0.69277%0.773SS**  cis-152.6131.415.3-41.30000108.8
704R33.2Very low40.4Very low227 Ų227123.8 Ų123.886%0.85776%0.761SS**  52.7133.9102.9-82.1-179.1167.2169.2-5116.1
705S35.3Very low42.1Very low115 Ų115123.6 Ų123.680%0.80474%0.744SS**  cis-164.61541949.90000115.6
706G31.2Very low43.9Very low80 Ų80124.5 Ų124.583%0.82573%0.73SS**  trans84.5123.5165.900000113.1
707G30.7Very low45.8Very low84 Ų84122.9 Ų122.987%0.86671%0.711SS**  cis107.7122.931.800000106.8
708G33Very low47.7Very low74 Ų74124.4 Ų124.476%0.76370%0.701SS**  cis151.8-1.217.100000112.5
709E42.9Very low50Low172 Ų172121.8 Ų121.880%0.80469%0.691SS**  trans-14196.1179-65.3175.7114.900107.6
710T48.2Very low52.3Low108 Ų108120 Ų12066%0.66369%0.685SS**  trans-142.4-18.2-175.1540000116.8L714T710-L714 WeakPolarHBondContact O-CB 3.28Å; T710-L714 PolarHBondContact O-N 3.22Å
711S52.2Low54.4Low99 Ų99113.6 Ų113.669%0.69266%0.662SS**Hα-helixtrans-79.3-30-17758.70000114.3T715S711-T715 PolarHBondContact O-OG1 3.28Å
712L54.7Low57Low144 Ų144108.1 Ų108.175%0.75465%0.649SS**Hα-helixtrans-82.5-32.2172.8-76.7164.7000112T715 L716L712-T715 PolarHBondContact O-OG1 2.73Å; L712-L716 PolarHBondContact O-N 3.14Å
713D61.6Low59.5Low85 Ų85104.7 Ų104.746%0.45563%0.634SS.*Hα-helixtrans-69.3-38.8172.7-98.7-22.3000112T715 L716 I717D713-T715 VanDerWaalsContact C-N 3.31Å; D713-T715 PolarHBondContact O-N 3.05Å; D713-L716 PolarHBondContact O-N 3.04Å; D713-I717 HydrophobicContact CB-CD1 4.22Å; D713-I717 VanDerWaalsContact O-CB 3.26Å; D713-I717 WeakPolarHBondContact O-CB 3.26Å; D713-I717 WeakPolarHBondContact O-CD1 3.38Å; D713-I717 WeakPolarHBondContact O-CG1 3.4Å; D713-I717 PolarHBondContact O-N 3.23Å
714L65.3Low61.9Low125 Ų125102.5 Ų102.565%0.65462%0.619SS**Hα-helixtrans-63.3-37.5-178.7-158.376.8000112.5T710 L718T710-L714 WeakPolarHBondContact O-CB 3.28Å; T710-L714 PolarHBondContact O-N 3.22Å; L714-L718 VanDerWaalsContact O-CB 3.31Å; L714-L718 WeakPolarHBondContact O-CB 3.37Å; L714-L718 PolarHBondContact O-N 3.31Å
715T70.3Confident64.6Low80 Ų8096.2 Ų96.249%0.49161%0.605SS.*Hα-helixtrans-73.5-37.6175.836.90000112.3S711 L712 D713 L718 I719S711-T715 PolarHBondContact O-OG1 3.28Å; L712-T715 PolarHBondContact O-OG1 2.73Å; D713-T715 VanDerWaalsContact C-N 3.31Å; D713-T715 PolarHBondContact O-N 3.05Å; T715-L718 PolarHBondContact O-N 3.26Å; T715-I719 WeakPolarHBondContact O-CD1 3.23Å; T715-I719 VanDerWaalsContact O-CG1 3.25Å; T715-I719 WeakPolarHBondContact O-CG1 3.3Å; T715-I719 PolarHBondContact O-N 3.45Å
716L74.3Confident67.1Low93 Ų9394.3 Ų94.349%0.48759%0.592SS.*Hα-helixtrans-63.9-45.1172.4-171.872.9000111.8L712 D713 L718 I719 I720L712-L716 PolarHBondContact O-N 3.14Å; D713-L716 PolarHBondContact O-N 3.04Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 2.91Å; L716-I719 PolarHBondContact O-N 2.97Å; L716-I720 HydrophobicContact CD2-CD1 4.42Å; L716-I720 HydrophobicContact CG-CD1 3.94Å; L716-I720 WeakPolarHBondContact O-CB 3.21Å; L716-I720 VanDerWaalsContact O-CG1 3.29Å; L716-I720 WeakPolarHBondContact O-CG1 3.47Å; L716-I720 PolarHBondContact O-N 3.16Å
717I76.1Confident70Confident98 Ų9896.8 Ų96.850%0.50358%0.581SS.*Hα-helixtrans-62.4-41176.2-69.7164.7000110.4D713 I720 A721D713-I717 HydrophobicContact CB-CD1 4.22Å; D713-I717 VanDerWaalsContact O-CB 3.26Å; D713-I717 WeakPolarHBondContact O-CB 3.26Å; D713-I717 WeakPolarHBondContact O-CD1 3.38Å; D713-I717 WeakPolarHBondContact O-CG1 3.4Å; D713-I717 PolarHBondContact O-N 3.23Å; I717-I720 PolarHBondContact O-N 2.83Å; I717-A721 VanDerWaalsContact O-CB 3.22Å; I717-A721 WeakPolarHBondContact O-CB 3.5Å; I717-A721 PolarHBondContact O-N 3.43Å
718L77.6Confident72.8Confident107 Ų10798.1 Ų98.156%0.5657%0.567SS**Hα-helixtrans-64.3-41.1175.6-159.597.9000111.9L714 T715 L716 A721 L722L714-L718 VanDerWaalsContact O-CB 3.31Å; L714-L718 WeakPolarHBondContact O-CB 3.37Å; L714-L718 PolarHBondContact O-N 3.31Å; T715-L718 PolarHBondContact O-N 3.26Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 2.91Å; L718-A721 PolarHBondContact O-N 2.86Å; L718-L722 HydrophobicContact CD2-CD1 4.04Å; L718-L722 HydrophobicContact CG-CD1 4.25Å; L718-L722 WeakPolarHBondContact O-CB 3.44Å; L718-L722 WeakPolarHBondContact O-CG 3.38Å; L718-L722 PolarHBondContact O-N 2.91Å
719I82.8Confident75.5Confident113 Ų113101.4 Ų101.458%0.57956%0.56SS**Hα-helixtrans-65.9-41.6175.8-69.7164.2000111T715 L716 G723T715-I719 WeakPolarHBondContact O-CD1 3.23Å; T715-I719 VanDerWaalsContact O-CG1 3.25Å; T715-I719 WeakPolarHBondContact O-CG1 3.3Å; T715-I719 PolarHBondContact O-N 3.45Å; L716-I719 PolarHBondContact O-N 2.97Å; I719-G723 PolarHBondContact O-N 2.78Å
720I83.5Confident77.8Confident105 Ų10598 Ų9854%0.53855%0.547SS..Hα-helixtrans-67.1-38.7175.5-68.6167.7000110.8L716 I717 S724L716-I720 HydrophobicContact CD2-CD1 4.42Å; L716-I720 HydrophobicContact CG-CD1 3.94Å; L716-I720 WeakPolarHBondContact O-CB 3.21Å; L716-I720 VanDerWaalsContact O-CG1 3.29Å; L716-I720 WeakPolarHBondContact O-CG1 3.47Å; L716-I720 PolarHBondContact O-N 3.16Å; I717-I720 PolarHBondContact O-N 2.83Å; I720-S724 VanDerWaalsContact O-CB 3.3Å; I720-S724 WeakPolarHBondContact O-CB 3.44Å; I720-S724 PolarHBondContact O-N 3.47Å; I720-S724 PolarHBondContact O-OG 3.27Å; I720-S724 VanDerWaalsContact O-OG 3.12Å
721A82.7Confident79.8Confident44 Ų4496.7 Ų96.736%0.36454%0.535SS..Hα-helixtrans-65.1-51.7175.900000111.2I717 L718 G723 S724 V725I717-A721 VanDerWaalsContact O-CB 3.22Å; I717-A721 WeakPolarHBondContact O-CB 3.5Å; I717-A721 PolarHBondContact O-N 3.43Å; L718-A721 PolarHBondContact O-N 2.86Å; A721-G723 VanDerWaalsContact C-N 3.32Å; A721-G723 PolarHBondContact O-N 3.47Å; A721-S724 PolarHBondContact O-N 2.69Å; A721-S724 PolarHBondContact O-OG 3.2Å; A721-V725 WeakPolarHBondContact O-CG2 3.42Å; A721-V725 PolarHBondContact O-N 2.78Å
722L86.5Confident81.3Confident107 Ų10794.1 Ų94.156%0.5652%0.52SS*.Hα-helixtrans-59.6-41.8175.6-76.8165.5000112.1L718 S726L718-L722 HydrophobicContact CD2-CD1 4.04Å; L718-L722 HydrophobicContact CG-CD1 4.25Å; L718-L722 WeakPolarHBondContact O-CB 3.44Å; L718-L722 WeakPolarHBondContact O-CG 3.38Å; L718-L722 PolarHBondContact O-N 2.91Å; L722-S726 VanDerWaalsContact O-CB 3.3Å; L722-S726 WeakPolarHBondContact O-CB 3.4Å; L722-S726 PolarHBondContact O-N 3.42Å; L722-S726 PolarHBondContact O-OG 3.21Å
723G90.3Very high82.9Confident40 Ų4092.3 Ų92.341%0.41251%0.509SS..Hα-helixtrans-62.8-41.5174.900000112.9I719 A721 F727I719-G723 PolarHBondContact O-N 2.78Å; A721-G723 VanDerWaalsContact C-N 3.32Å; A721-G723 PolarHBondContact O-N 3.47Å; G723-F727 VanDerWaalsContact O-CB 3.25Å; G723-F727 WeakPolarHBondContact O-CB 3.43Å; G723-F727 PolarHBondContact O-N 3.07Å
724S88.3Confident84.1Confident53 Ų5392.3 Ų92.337%0.37151%0.508SS..Hα-helixtrans-72.4-40.5178.867.50000112.7I720 A721 F727 I728I720-S724 VanDerWaalsContact O-CB 3.3Å; I720-S724 WeakPolarHBondContact O-CB 3.44Å; I720-S724 PolarHBondContact O-N 3.47Å; I720-S724 PolarHBondContact O-OG 3.27Å; I720-S724 VanDerWaalsContact O-OG 3.12Å; A721-S724 PolarHBondContact O-N 2.69Å; A721-S724 PolarHBondContact O-OG 3.2Å; S724-F727 PolarHBondContact O-N 3.48Å; S724-I728 WeakPolarHBondContact O-CB 3.39Å; S724-I728 VanDerWaalsContact O-CG1 3.26Å; S724-I728 WeakPolarHBondContact O-CG1 3.49Å; S724-I728 PolarHBondContact O-N 3.16Å
725V88.6Confident85.1Confident94 Ų9489.9 Ų89.957%0.5750%0.498SS*.Hα-helixtrans-62.6-45.8173.51730000110.5A721 F727 I728 F729A721-V725 WeakPolarHBondContact O-CG2 3.42Å; A721-V725 PolarHBondContact O-N 2.78Å; V725-F727 VanDerWaalsContact C-N 3.34Å; V725-F727 PolarHBondContact O-N 3.14Å; V725-I728 PolarHBondContact O-N 2.57Å; V725-F729 WeakPolarHBondContact O-CB 3.27Å; V725-F729 PolarHBondContact O-N 3.22Å
726S89.2Confident85.5Confident75 Ų7590.7 Ų90.752%0.52450%0.5SS..Hα-helixtrans-61.8-40.4175.5-59.20000112.1L722 F729 L730L722-S726 VanDerWaalsContact O-CB 3.3Å; L722-S726 WeakPolarHBondContact O-CB 3.4Å; L722-S726 PolarHBondContact O-N 3.42Å; L722-S726 PolarHBondContact O-OG 3.21Å; S726-F729 PolarHBondContact O-N 2.86Å; S726-L730 VanDerWaalsContact O-CB 3.27Å; S726-L730 WeakPolarHBondContact O-CB 3.47Å; S726-L730 PolarHBondContact O-N 2.96Å
727F91.6Very high85.8Confident133 Ų13388.9 Ų88.958%0.58350%0.498SS*.Hα-helixtrans-68.5-40.2178-175.8-105.6000112.7G723 S724 V725 L730 L731G723-F727 VanDerWaalsContact O-CB 3.25Å; G723-F727 WeakPolarHBondContact O-CB 3.43Å; G723-F727 PolarHBondContact O-N 3.07Å; S724-F727 PolarHBondContact O-N 3.48Å; V725-F727 VanDerWaalsContact C-N 3.34Å; V725-F727 PolarHBondContact O-N 3.14Å; F727-L730 PolarHBondContact O-N 2.81Å; F727-L731 HydrophobicContact CD1-CD1 3.89Å; F727-L731 HydrophobicContact CE1-CD1 3.42Å; F727-L731 VanDerWaalsContact CE1-CD1 3.42Å; F727-L731 HydrophobicContact CE1-CG 4.19Å; F727-L731 HydrophobicContact CZ-CD1 3.87Å; F727-L731 HydrophobicContact CZ-CG 4.26Å; F727-L731 WeakPolarHBondContact O-CB 3.21Å; F727-L731 WeakPolarHBondContact O-CG 3.24Å; F727-L731 PolarHBondContact O-N 3.42Å
728I89.8Confident86Confident112 Ų11287.6 Ų87.657%0.57450%0.495SS*.Hα-helixtrans-64.9-43.4174.3-70.2166000110.4S724 V725 L731 A732S724-I728 WeakPolarHBondContact O-CB 3.39Å; S724-I728 VanDerWaalsContact O-CG1 3.26Å; S724-I728 WeakPolarHBondContact O-CG1 3.49Å; S724-I728 PolarHBondContact O-N 3.16Å; V725-I728 PolarHBondContact O-N 2.57Å; I728-L731 PolarHBondContact O-N 3.09Å; I728-A732 WeakPolarHBondContact O-CB 3.34Å; I728-A732 PolarHBondContact O-N 3.26Å
729F88.3Confident85.9Confident143 Ų14390 Ų9063%0.62750%0.496SS*.Hα-helixtrans-63.3-41.9176.5-167.1-94.8000111.7V725 S726 A732 M733V725-F729 WeakPolarHBondContact O-CB 3.27Å; V725-F729 PolarHBondContact O-N 3.22Å; S726-F729 PolarHBondContact O-N 2.86Å; F729-A732 PolarHBondContact O-N 3.48Å; F729-M733 HydrophobicContact CD1-CG 4.08Å; F729-M733 HydrophobicContact CE1-CG 3.85Å; F729-M733 HydrophobicContact CZ-CG 4.43Å; F729-M733 WeakPolarHBondContact O-CB 3.41Å; F729-M733 WeakPolarHBondContact O-CG 3.39Å; F729-M733 PolarHBondContact O-N 3.16Å
730L91.6Very high85.2Confident100 Ų10087.5 Ų87.552%0.52449%0.488SS..Hα-helixtrans-65.3-41.7176.1-156.7165.7000111.2S726 F727 M733 I734S726-L730 VanDerWaalsContact O-CB 3.27Å; S726-L730 WeakPolarHBondContact O-CB 3.47Å; S726-L730 PolarHBondContact O-N 2.96Å; F727-L730 PolarHBondContact O-N 2.81Å; L730-M733 PolarHBondContact O-N 3.22Å; L730-I734 HydrophobicContact CD2-CD1 3.42Å; L730-I734 VanDerWaalsContact CD2-CD1 3.42Å; L730-I734 HydrophobicContact CD2-CG1 4Å; L730-I734 WeakPolarHBondContact O-CG1 3.47Å; L730-I734 PolarHBondContact O-N 3.27Å
731L90.1Very high84.4Confident80 Ų8089.4 Ų89.442%0.41950%0.495SS..Hα-helixtrans-63-41.8171.9-80.8175.6000112.6F727 I728 I734 V735F727-L731 HydrophobicContact CD1-CD1 3.89Å; F727-L731 HydrophobicContact CE1-CD1 3.42Å; F727-L731 VanDerWaalsContact CE1-CD1 3.42Å; F727-L731 HydrophobicContact CE1-CG 4.19Å; F727-L731 HydrophobicContact CZ-CD1 3.87Å; F727-L731 HydrophobicContact CZ-CG 4.26Å; F727-L731 WeakPolarHBondContact O-CB 3.21Å; F727-L731 WeakPolarHBondContact O-CG 3.24Å; F727-L731 PolarHBondContact O-N 3.42Å; I728-L731 PolarHBondContact O-N 3.09Å; L731-I734 PolarHBondContact O-N 3.36Å; L731-V735 WeakPolarHBondContact O-CG2 3.29Å; L731-V735 PolarHBondContact O-N 3.48Å
732A84.9Confident83.3Confident46 Ų4695 Ų9538%0.3851%0.511SS..Hα-helixtrans-62.5-43.6175.800000111.2I728 F729 V735 L736I728-A732 WeakPolarHBondContact O-CB 3.34Å; I728-A732 PolarHBondContact O-N 3.26Å; F729-A732 PolarHBondContact O-N 3.48Å; A732-V735 PolarHBondContact O-N 3.45Å; A732-L736 WeakPolarHBondContact O-CB 3.39Å; A732-L736 WeakPolarHBondContact O-CG 3.23Å; A732-L736 PolarHBondContact O-N 3.46Å
733M87.7Confident81.6Confident106 Ų10695.8 Ų95.852%0.52251%0.511SS..Hα-helixtrans-63.5-38.1173.7-74.6-65-72.700112.6F729 L730 L736 A737F729-M733 HydrophobicContact CD1-CG 4.08Å; F729-M733 HydrophobicContact CE1-CG 3.85Å; F729-M733 HydrophobicContact CZ-CG 4.43Å; F729-M733 WeakPolarHBondContact O-CB 3.41Å; F729-M733 WeakPolarHBondContact O-CG 3.39Å; F729-M733 PolarHBondContact O-N 3.16Å; L730-M733 PolarHBondContact O-N 3.22Å; M733-L736 HydrophobicContact SD-CD1 4.5Å; M733-A737 WeakPolarHBondContact O-CB 3.46Å; M733-A737 PolarHBondContact O-N 3.1Å
734I87.9Confident79.6Confident84 Ų84100.9 Ų100.943%0.43152%0.522SS..Hα-helixtrans-65.5-43.4171.9-72.8171.3000110.9L730 L731 A737 V738L730-I734 HydrophobicContact CD2-CD1 3.42Å; L730-I734 VanDerWaalsContact CD2-CD1 3.42Å; L730-I734 HydrophobicContact CD2-CG1 4Å; L730-I734 WeakPolarHBondContact O-CG1 3.47Å; L730-I734 PolarHBondContact O-N 3.27Å; L731-I734 PolarHBondContact O-N 3.36Å; I734-A737 PolarHBondContact O-N 3.38Å; I734-V738 HydrophobicContact CG2-CG2 4.22Å; I734-V738 VanDerWaalsContact O-CB 3.31Å; I734-V738 WeakPolarHBondContact O-CB 3.24Å; I734-V738 VanDerWaalsContact O-CG2 3.23Å; I734-V738 WeakPolarHBondContact O-CG2 3.45Å; I734-V738 PolarHBondContact O-N 3.03Å
735V84.3Confident77.5Confident74 Ų74107.1 Ų107.145%0.44854%0.543SS..Hα-helixtrans-65-40.1178.2169.20000111.2L731 A732 V738 R739L731-V735 WeakPolarHBondContact O-CG2 3.29Å; L731-V735 PolarHBondContact O-N 3.48Å; A732-V735 PolarHBondContact O-N 3.45Å; V735-V738 PolarHBondContact O-N 3.24Å; V735-R739 WeakPolarHBondContact O-CB 3.48Å; V735-R739 PolarHBondContact O-N 2.83Å
736L79.7Confident75Confident98 Ų98109.9 Ų109.951%0.51355%0.553SS.*Hα-helixtrans-65-46172.5-74.3168.1000111.3A732 M733 V738 R739 C740A732-L736 WeakPolarHBondContact O-CB 3.39Å; A732-L736 WeakPolarHBondContact O-CG 3.23Å; A732-L736 PolarHBondContact O-N 3.46Å; M733-L736 HydrophobicContact SD-CD1 4.5Å; L736-V738 VanDerWaalsContact C-N 3.34Å; L736-V738 PolarHBondContact O-N 3.41Å; L736-R739 PolarHBondContact O-N 3.18Å; L736-C740 WeakPolarHBondContact O-CB 3.47Å; L736-C740 PolarHBondContact O-N 3.06Å; L736-C740 PolarHBondContact O-SG 2.97Å
737A79.5Confident72.5Confident55 Ų55113.3 Ų113.346%0.45557%0.566SS.*Hα-helixtrans-62.7-38176.300000112.5M733 I734 Q741M733-A737 WeakPolarHBondContact O-CB 3.46Å; M733-A737 PolarHBondContact O-N 3.1Å; I734-A737 PolarHBondContact O-N 3.38Å; A737-Q741 WeakPolarHBondContact O-CB 3.46Å; A737-Q741 WeakPolarHBondContact O-CG 3.42Å; A737-Q741 PolarHBondContact O-N 2.79Å
738V80.8Confident69.8Low71 Ų71113 Ų11343%0.4357%0.569SS.*Hα-helixtrans-72.9-36.3175.9169.80000111.7I734 V735 L736 Q741 K742I734-V738 HydrophobicContact CG2-CG2 4.22Å; I734-V738 VanDerWaalsContact O-CB 3.31Å; I734-V738 WeakPolarHBondContact O-CB 3.24Å; I734-V738 VanDerWaalsContact O-CG2 3.23Å; I734-V738 WeakPolarHBondContact O-CG2 3.45Å; I734-V738 PolarHBondContact O-N 3.03Å; V735-V738 PolarHBondContact O-N 3.24Å; L736-V738 VanDerWaalsContact C-N 3.34Å; L736-V738 PolarHBondContact O-N 3.41Å; V738-Q741 PolarHBondContact O-N 3.47Å; V738-K742 WeakPolarHBondContact O-CB 3.44Å; V738-K742 PolarHBondContact O-N 2.99Å
739R75.6Confident67.2Low157 Ų157118.1 Ų118.159%0.59258%0.583SS**Hα-helixtrans-64.3-50.6170-86.4-175.6165.3147.4-4.1110.7V735 L736 Q741 K742 E743V735-R739 WeakPolarHBondContact O-CB 3.48Å; V735-R739 PolarHBondContact O-N 2.83Å; L736-R739 PolarHBondContact O-N 3.18Å; R739-Q741 VanDerWaalsContact C-N 3.28Å; R739-Q741 PolarHBondContact O-N 3.24Å; R739-K742 PolarHBondContact O-N 3.01Å; R739-E743 WeakPolarHBondContact O-CB 3.47Å; R739-E743 PolarHBondContact O-N 2.94Å
740C68.3Low64.6Low61 Ų61118 Ų11841%0.41259%0.594SS.*Hα-helixtrans-57.8-36.2173.2-73.10000112.7L736 K744L736-C740 WeakPolarHBondContact O-CB 3.47Å; L736-C740 PolarHBondContact O-N 3.06Å; L736-C740 PolarHBondContact O-SG 2.97Å; C740-K744 WeakPolarHBondContact O-CB 3.27Å; C740-K744 WeakPolarHBondContact O-CD 3.14Å; C740-K744 WeakPolarHBondContact O-CG 3.49Å; C740-K744 PolarHBondContact O-N 3.34Å
741Q67.6Low61.7Low144 Ų144119.3 Ų119.367%0.67361%0.61SS**Hα-helixtrans-74.8-28.2174.1-82.4-162.3-8.600114A737 V738 R739 K745A737-Q741 WeakPolarHBondContact O-CB 3.46Å; A737-Q741 WeakPolarHBondContact O-CG 3.42Å; A737-Q741 PolarHBondContact O-N 2.79Å; V738-Q741 PolarHBondContact O-N 3.47Å; R739-Q741 VanDerWaalsContact C-N 3.28Å; R739-Q741 PolarHBondContact O-N 3.24Å; Q741-K745 PolarHBondContact O-N 2.79Å
742K58.6Low59.1Low161 Ų161123.9 Ų123.970%0.763%0.634SS**Hα-helixtrans-76.2-39.4173-86.9-175.8168.8-179.50112.1V738 R739 K745 L746V738-K742 WeakPolarHBondContact O-CB 3.44Å; V738-K742 PolarHBondContact O-N 2.99Å; R739-K742 PolarHBondContact O-N 3.01Å; K742-K745 PolarHBondContact O-N 3.25Å; K742-K745 VanDerWaalsContact O-N 3.15Å; K742-L746 PolarHBondContact O-N 3.12Å
743E51.9Low56.6Low124 Ų124126.6 Ų126.658%0.57966%0.657SS**Hα-helixtrans-73.9-36176-72168.5177.700111.2R739 K745 L746 N747R739-E743 WeakPolarHBondContact O-CB 3.47Å; R739-E743 PolarHBondContact O-N 2.94Å; E743-K745 PolarHBondContact O-N 2.88Å; E743-K745 VanDerWaalsContact O-N 3.08Å; E743-L746 CarbonylContact O-C 3.59Å; E743-L746 PolarHBondContact O-N 3.45Å; E743-N747 PolarHBondContact O-N 2.82Å
744K48.3Very low54Low148 Ų148126.3 Ų126.364%0.64367%0.665SS**THydrogen-bonded Turntrans-69.75166.3-68.3173.4-178.9-175.30114.1C740 I748C740-K744 WeakPolarHBondContact O-CB 3.27Å; C740-K744 WeakPolarHBondContact O-CD 3.14Å; C740-K744 WeakPolarHBondContact O-CG 3.49Å; C740-K744 PolarHBondContact O-N 3.34Å; K744-I748 WeakPolarHBondContact O-CD1 3.31Å
745K43Very low51.6Low183 Ų183128.9 Ų128.980%0.79668%0.68SS**THydrogen-bonded Turntrans-117.68.4165.2-82.5-172.1173.4-179.50113.8Q741 K742 E743Q741-K745 PolarHBondContact O-N 2.79Å; K742-K745 PolarHBondContact O-N 3.25Å; K742-K745 VanDerWaalsContact O-N 3.15Å; E743-K745 PolarHBondContact O-N 2.88Å; E743-K745 VanDerWaalsContact O-N 3.08Å
746L37.6Very low49.1Very low152 Ų152131 Ų13180%0.79670%0.697SS**SBendtrans-13632.9171.6-152.379.3000112.4K742 E743K742-L746 PolarHBondContact O-N 3.12Å; E743-L746 CarbonylContact O-C 3.59Å; E743-L746 PolarHBondContact O-N 3.45Å
747N36Very low47Very low148 Ų148132.1 Ų132.179%0.79171%0.711SS**SBendtrans-155.849.5166-91.6-28000110E743E743-N747 PolarHBondContact O-N 2.82Å
748I35.3Very low44.7Very low127 Ų127137.6 Ų137.665%0.65173%0.732SS**  trans-122.167.5169.5-56.1-176.3000108.7K744K744-I748 WeakPolarHBondContact O-CD1 3.31Å
749Y35.6Very low42.2Very low218 Ų218139.6 Ų139.686%0.85575%0.748SS**SBendtrans-158.4142.2148.4-90.7-73.6000104.5
750T32.9Very low40.2Very low140 Ų140137 Ų13786%0.85975%0.752SS**SBendtrans6273.9-171.367.90000116.3
751C29.8Very low38.4Very low128 Ų128139.3 Ų139.387%0.86577%0.768SS**  trans175.176.7131.7-95.80000110.1
752L35.2Very low36.7Very low177 Ų177137.9 Ų137.993%0.92777%0.773SS**  trans-163.374.9163-109.8173.8000109.2
753A34Very low35.7Very low103 Ų103136.7 Ų136.785%0.85178%0.783SS**  trans-144.599.6159.100000105.7
754S32.8Very low34.8Very low100 Ų100134.6 Ų134.670%0.69979%0.794SS**  trans-73.1175.2173.1-170.20000110.2
755D37.2Very low34Very low138 Ų138131.5 Ų131.574%0.73881%0.805SS**  trans94.7105.6155.2-52.2-20.1000118.3
756C31.7Very low33.4Very low119 Ų119127 Ų12780%0.80481%0.81SS**  94.1130.9128.4-74.20000122
757C34.7Very low33.1Very low121 Ų121122.9 Ų122.982%0.81881%0.805SS**  trans7790.8151-630000119.2
758L31.4Very low33.2Very low169 Ų169121.2 Ų121.289%0.88581%0.805SS**  -45.3154.8129.3-117.971.8000112.3
759C30.1Very low33.3Very low113 Ų113121.5 Ų121.576%0.76481%0.813SS**  trans95.9121.7151.7-139.30000120.2
760C31.9Very low33.4Very low103 Ų103117.8 Ų117.870%0.69682%0.817SS**  trans68.1108.9148.8-79.30000123.1
761C31.3Very low33.7Very low110 Ų110117.4 Ų117.474%0.74382%0.818SS**  82.3146.5117.9-64.80000122.3
762C32.7Very low33.9Very low114 Ų114114.7 Ų114.777%0.7781%0.812SS**  trans82.8113.9157.7-630000119.7
763C37.3Very low34Very low136 Ų136117.3 Ų117.392%0.91981%0.81SS**  trans66.8133.2151.2-51.80000117.6
764G31.6Very low34Very low79 Ų79120.9 Ų120.981%0.81481%0.809SS**  cis145.6128.70.700000111.2
765G32Very low34.1Very low83 Ų83120.1 Ų120.186%0.85681%0.809SS**  trans88114.8160.200000118.8
766G30.6Very low34Very low88 Ų88125.4 Ų125.491%0.90782%0.818SS**  trans66.2140.8148.700000118.9
767G32Very low34.1Very low67 Ų67124.7 Ų124.769%0.69182%0.821SS**  cis161.81753.300000110.6
768S37.7Very low34.2Very low113 Ų113131.1 Ų131.179%0.7983%0.828SS**  trans63.794.4171.358.30000119.6
769T36.7Very low34.4Very low133 Ų133132.8 Ų132.882%0.81683%0.828SS**  14.9134.9121.3530000120.2
770C38.4Very low34.7Very low139 Ų139137.3 Ų137.394%0.93983%0.834SS**  trans-150.1147.9139.9-118.90000113
771C39.3Very low34.7Very low132 Ų132141.5 Ų141.589%0.89284%0.841SS**  trans-84.4149.5-160.8-61.80000115.8
772G33Very low34.9Very low71 Ų71144.6 Ų144.673%0.73285%0.849SS**  trans-84.3-162.8179.300000117.6
773R36.8Very low35.1Very low232 Ų232144.8 Ų144.888%0.87585%0.852SS**  trans-172.4133.6153.1-108.2170.7-173.1-166.11.8111.7
774Q35.7Very low34.9Very low179 Ų179148.2 Ų148.284%0.83685%0.851SS**  trans31.4141.5132.2-67.8177.3-13.900120.6
775A33.9Very low35.5Very low84 Ų84148.7 Ų148.769%0.69484%0.842SS**  cis-174.8179.5-2.800000111.6
776R35.4Very low35.8Very low248 Ų248151.2 Ų151.294%0.93684%0.836SS**  trans85.788.1160.3-61.6-178.3170174.5-2118.6
777A33.4Very low36.3Very low104 Ų104155.1 Ų155.186%0.8683%0.834SS**  trans-87.8147.1152.300000111.7
778R38Very low36.6Very low256 Ų256160.8 Ų160.897%0.96685%0.845SS**  trans-108.2139.4168.4-100.4-175.7170.6-177.2-2.1110.3
779K33.8Very low36.4Very low205 Ų205161.6 Ų161.689%0.89184%0.839SS**  trans-76.4147.4-172.7-58.9175.1176.4-1790113.7
780K36.5Very low36.5Very low207 Ų207162.2 Ų162.290%0.984%0.843SS**  177.9156.8128.1-96.9170-178-174.40109.3
781K32.6Very low36.2Very low191 Ų191163.2 Ų163.283%0.8383%0.834SS**  cis-179.3114.8-40.1-158-168.7-174.8-1630106.6
782L35.9Very low36Very low176 Ų176162.5 Ų162.592%0.92183%0.83SS**  trans-166.4104.8164-95.7133.9000105.1
783S35.5Very low36.3Very low117 Ų117164.5 Ų164.582%0.81883%0.833SS**  9298.369.5-167.90000111.5
784K35Very low36.1Very low209 Ų209161.1 Ų161.191%0.90983%0.832SS**  trans-140123.5165.6-171.7173.3-175.7177.10108.2
785S43.9Very low36.2Very low88 Ų88159.2 Ų159.262%0.61583%0.833SS**  trans-110.1156.9156.269.40000105.6
786D37.3Very low36.3Very low136 Ų136161 Ų16173%0.72784%0.837SS**  cis-138.3158.314.1-74.9-81.2000111.1
787I40.8Very low36.4Very low171 Ų171154.9 Ų154.988%0.87783%0.832SS**  trans176.1122144-90.9153.8000105.8
788M38.8Very low36.4Very low185 Ų185157.3 Ų157.391%0.91183%0.831SS**  trans-90139.3-176.7-76.9-161.6-62.500113.1
789L34.1Very low36.4Very low130 Ų130150.7 Ų150.768%0.68182%0.821SS**  trans-66158.2163.8-73126.6000112.4Q791L789-Q791 HydrophobicContact CD2-CB 4.31Å; L789-Q791 HydrophobicContact CD2-CG 3.78Å
790V38.1Very low36.4Very low147 Ų147145.4 Ų145.489%0.89182%0.815SS**  -131.4121118.9-178.40000109.7
791Q32.2Very low36Very low159 Ų159144.7 Ų144.774%0.74382%0.815SS**  trans-111.6149.9164.9-89-178.2-2700109.3L789L789-Q791 HydrophobicContact CD2-CB 4.31Å; L789-Q791 HydrophobicContact CD2-CG 3.78Å
792S36.2Very low36Very low118 Ų118142 Ų14283%0.82582%0.815SS**  trans-171.8142.9150.4-790000108.6
793S38.2Very low35.7Very low112 Ų112139.1 Ų139.178%0.78381%0.807SS**  cis-168.8145.9-10.443.80000109.4
794N33.7Very low35.6Very low161 Ų161141.7 Ų141.786%0.86181%0.809SS**  trans-67147.1-177.9-75.6-26.7000115.2
795V37.7Very low35.5Very low140 Ų140140.3 Ų140.385%0.84881%0.806SS**  trans-144.3130.3142.4-175.50000109.2
796P35.7Very low34.7Very low120 Ų120144.6 Ų144.678%0.77982%0.816SS**  trans-107.7141.6177.237-29.5000113.8
797S37.6Very low34.5Very low120 Ų120143.8 Ų143.884%0.83982%0.821SS**  trans-156.6127.1163.456.70000113.3
798N33.8Very low34Very low156 Ų156139.5 Ų139.583%0.83482%0.82SS**  trans-55.3159.5166.9-111.23000112.1
799P37.3Very low33.5Very low117 Ų117134.2 Ų134.276%0.7681%0.812SS**  -156.61597641.7-21.5000120.3
800A33.7Very low33.4Very low93 Ų93138.7 Ų138.777%0.76983%0.827SS**  trans46.8136.8134.100000123.9
801Q27.4Very low33Very low192 Ų192135.3 Ų135.390%0.89782%0.822SS**  trans-80.4148.7166.3-56.1157.3-69.400112
802V32.6Very low33.1Very low135 Ų135133.4 Ų133.482%0.81883%0.826SS**  trans-146.4132.4154.9-175.10000108.6
803P30.7Very low32.8Very low116 Ų116136 Ų13675%0.75383%0.825SS**  trans-89.9166.2175.936.9-34.7000112.5
804I33.3Very low32.7Very low171 Ų171140 Ų14088%0.87783%0.83SS**  trans-128.2128.9170.8-64.5-179.7000109.5
805E32.8Very low32.8Very low180 Ų180141 Ų14184%0.84183%0.83SS**  trans-87.8145.3175.2-72.1173.3131.200112.4
806E28Very low32.5Very low177 Ų177141.7 Ų141.783%0.82783%0.829SS**  trans18.9150.1143.7-64.7-166.7158.300124.9
807S31.3Very low32.4Very low119 Ų119142.5 Ų142.583%0.83282%0.822SS**  trans93.4129.7138.6-75.60000121.2
808G31.3Very low32.1Very low82 Ų82144 Ų14485%0.84582%0.821SS**  trans116.883.8152.300000116
809G28.2Very low32Very low73 Ų73144.7 Ų144.775%0.75381%0.813SS**  trans-89.5157.9173.300000113.9
810F32.4Very low31.6Very low224 Ų224145.5 Ų145.598%0.98282%0.82SS**  trans-155.9134.8146.7-119-83000108.2
811G28.5Very low31.5Very low77 Ų77151.1 Ų151.179%0.79482%0.823SS**  trans-94.3164.4-163.300000116.1
812S34.1Very low31.7Very low118 Ų118150.6 Ų150.683%0.82582%0.82SS**  trans-157.3144.7147.7-172.50000109.9
813H31.5Very low31.8Very low173 Ų173149.8 Ų149.880%0.80182%0.815SS**  trans-54.9141.2-179.3-65.4-101000113.7
814H35.1Very low32.1Very low195 Ų195149.3 Ų149.390%0.90381%0.813SS**  trans-160.2153.2135.5-97.6-62.1000110.9
815H35.4Very low32.3Very low183 Ų183147.7 Ų147.785%0.84781%0.806SS**  trans-61139.7-172.9-75.3-40.8000114
816N30.9Very low32.8Very low155 Ų155143.7 Ų143.783%0.82979%0.794SS**  trans-81.8113.7166.8-140.115.1000108.9
817Q34.4Very low33.6Very low136 Ų136141.5 Ų141.564%0.63680%0.795SS**  trans-103.8118168.1-76.7-177.3-30.700108.3Y819Q817-Y819 HydrophobicContact CB-CE2 4.22Å; Q817-Y819 WeakPolarHBondContact O-CD2 3.47Å; Q817-Y819 WeakPolarHBondContact O-CE2 3.35Å; Q817-Y819 PolarHBondContact O-N 3.38Å
818N31Very low34.4Very low152 Ų152144.4 Ų144.481%0.81380%0.796SS**  trans-70.2126174.1-75.6-10.6000109.9
819Y31.8Very low34.9Very low171 Ų171142.9 Ų142.967%0.67177%0.772SS**  trans-104.6112.2174.1-69.3-89.4000110Q817Q817-Y819 HydrophobicContact CB-CE2 4.22Å; Q817-Y819 WeakPolarHBondContact O-CD2 3.47Å; Q817-Y819 WeakPolarHBondContact O-CE2 3.35Å; Q817-Y819 PolarHBondContact O-N 3.38Å
820C29.6Very low35.5Very low134 Ų134144 Ų14491%0.90577%0.774SS**  trans-81.8129.1166.6-70.90000110.2
821Y30.5Very low36.2Very low211 Ų211142.7 Ų142.783%0.82777%0.768SS**  trans-99.8125.6172.4-63.4-87.4000109.7
822Q31.4Very low36.9Very low180 Ų180143.8 Ų143.884%0.84176%0.759SS**  trans-110.5124.7175.6-169.9168.8-0.400110.5
823V35.6Very low37.1Very low118 Ų118146.5 Ų146.572%0.71576%0.764SS**  trans-85.3120.1-179.4-179.50000109.6
824C36.9Very low37.5Very low106 Ų106144.1 Ų144.172%0.71676%0.757SS**  trans-107.6116.2173.1-63.90000109.9
825L37.9Very low37.6Very low138 Ų138142 Ų14272%0.72375%0.749SS**  trans-86.2118.6171.7-72.7166000109.4
826T43.6Very low37.7Very low96 Ų96141.7 Ų141.759%0.58975%0.746SS**  trans-90150.2171.356.10000111.3E828T826-E828 PolarHBondContact O-N 3.49Å
827P43.9Very low38Very low131 Ų131142.2 Ų142.285%0.85175%0.748SS**THydrogen-bonded Turntrans-65.1-3.9-173.7-24.235.5000116.7
828E48.6Very low38Very low180 Ų180144.7 Ų144.784%0.84176%0.756SS**THydrogen-bonded Turntrans-89-6.9-175.1-64-172.1135.400114.1T826 A830T826-E828 PolarHBondContact O-N 3.49Å; E828-A830 PolarHBondContact O-N 3.39Å; E828-A830 VanDerWaalsContact O-N 3.14Å
829S41.8Very low38.1Very low50 Ų50143.2 Ų143.235%0.3576%0.755SS.*  trans-73.4-0.8-175.6-167.90000115.3K831S829-K831 VanDerWaalsContact C-N 3.27Å; S829-K831 PolarHBondContact O-N 2.86Å; S829-K831 VanDerWaalsContact O-N 3.08Å
830A41Very low38.4Very low95 Ų95141.1 Ų141.179%0.78576%0.764SS**THydrogen-bonded Turntrans-8122.8-167.100000116.1E828E828-A830 PolarHBondContact O-N 3.39Å; E828-A830 VanDerWaalsContact O-N 3.14Å
831K47Very low38.8Very low197 Ų197140.1 Ų140.186%0.85776%0.758SS**THydrogen-bonded Turntrans-138.46.3-172.9-76.8-173.4178.1171.60117.5S829S829-K831 VanDerWaalsContact C-N 3.27Å; S829-K831 PolarHBondContact O-N 2.86Å; S829-K831 VanDerWaalsContact O-N 3.08Å
832T42.6Very low39.1Very low101 Ų101136.3 Ų136.362%0.6276%0.76SS**  trans-148.8131.1179.151.30000113.1L834T832-L834 PolarHBondContact O-N 3.32Å
833D39.1Very low39.3Very low175 Ų175133.6 Ų133.694%0.93676%0.761SS**SBendtrans-71.426.9-179.3-61.6-41.2000115.3
834L39.2Very low39.1Very low122 Ų122139.7 Ų139.764%0.63977%0.771SS**  trans-141.995.1-178.7-72.8172.6000111T832 F836T832-L834 PolarHBondContact O-N 3.32Å; L834-F836 HydrophobicContact CB-CD2 4.24Å; L834-F836 HydrophobicContact CB-CE2 3.89Å; L834-F836 HydrophobicContact CD1-CE2 4.21Å; L834-F836 PolarHBondContact O-N 3.46Å
835M37.1Very low38.9Very low151 Ų151139.2 Ų139.274%0.74477%0.769SS**  trans-77.7108.3168.7-68.8-171.3-173.600110.4
836F37.2Very low38.8Very low177 Ų177138.2 Ų138.278%0.77677%0.768SS**  trans-94.1112.1170.2-77.6-86.6000110.7L834 K838L834-F836 HydrophobicContact CB-CD2 4.24Å; L834-F836 HydrophobicContact CB-CE2 3.89Å; L834-F836 HydrophobicContact CD1-CE2 4.21Å; L834-F836 PolarHBondContact O-N 3.46Å; F836-K838 PolarHBondContact O-N 3.25Å
837L37.1Very low38.5Very low166 Ų166140.3 Ų140.387%0.86978%0.776SS**  trans-67.8122.7168.8-71168.4000109.9
838K34.5Very low38.2Very low188 Ų188139.9 Ų139.982%0.81777%0.771SS**  trans-121.7118.4177.2-162.3178.1-174-178.60109.8F836F836-K838 PolarHBondContact O-N 3.25Å
839P34.7Very low37.6Very low120 Ų120139.3 Ų139.378%0.77977%0.769SS**PPolyproline II helixtrans-71.7136.5-179.528.8-33.6000110.8
840C36.7Very low37.3Very low128 Ų128145.3 Ų145.387%0.86579%0.79SS**PPolyproline II helixtrans-88130.1170.6-69.40000110
841S38.3Very low37Very low112 Ų112148 Ų14878%0.78379%0.792SS**PPolyproline II helixtrans-75.6139-179-46.30000111.7
842P36.4Very low36.7Very low132 Ų132143.5 Ų143.586%0.85778%0.783SS**PPolyproline II helixtrans-78130.3176.531-33.3000111.5
843S35.1Very low36.2Very low123 Ų123145 Ų14586%0.8680%0.796SS**PPolyproline II helixtrans-100.4152.9166.648.70000110.8
844R31.5Very low36Very low245 Ų245140.4 Ų140.493%0.92579%0.79SS**  trans-129.2109.3-162.8179-174.1-179.3-177.92111.4
845S34.4Very low35.9Very low97 Ų97138.9 Ų138.968%0.67880%0.795SS**  trans-165.5108.616649.50000107.1
846T35.6Very low35.8Very low116 Ų116139.6 Ų139.671%0.71280%0.8SS**  57.9128.883.963.30000114.5
847D36.1Very low35.8Very low141 Ų141136.6 Ų136.675%0.75480%0.796SS**  trans85.596.8158.4-50.7-22.3000119.5
848T38.1Very low35.8Very low122 Ų122134.8 Ų134.875%0.74879%0.792SS**  46.8119.1128.753.30000122
849E36.4Very low35.8Very low168 Ų168129 Ų12979%0.78579%0.785SS**  trans73.7150.6145.4-59.3-172.616200120.6
850H36.1Very low36.1Very low175 Ų175131.3 Ų131.381%0.8178%0.78SS**  trans8397.8171.6-63.579.6000119.3
851N34.9Very low36.2Very low151 Ų151130.8 Ų130.881%0.80777%0.773SS**  trans-50.5177.3143.8-130.91000111.6
852P40.1Very low36.1Very low103 Ų103131.9 Ų131.967%0.66977%0.77SS**  cis-141.5-177.4-141.9-22.9000115.9
853C32.4Very low36.1Very low132 Ų132134.3 Ų134.389%0.89277%0.77SS**  trans164.8125.5144.7-880000107.1
854G34.4Very low36Very low79 Ų79136.9 Ų136.981%0.81477%0.768SS**  cis126.3139.232.200000106.7
855A37.4Very low36.3Very low91 Ų91130.3 Ų130.375%0.75276%0.757SS**  cis-165.8-170.45.600000110.3
856I35.3Very low36.2Very low165 Ų165132.2 Ų132.285%0.84676%0.76SS**  trans83.6123.2162.1-58.1169.3000115.4
857V35.9Very low36.4Very low114 Ų114134.4 Ų134.469%0.69177%0.766SS**  cis-159.9145.9-3.6114.30000111.8
858T38Very low36.5Very low129 Ų129134.7 Ų134.779%0.79177%0.766SS**  trans36.8136.8159.963.70000122.1
859G35.1Very low36.5Very low65 Ų65133.5 Ų133.567%0.6776%0.762SS**  cis118.8120.6-4.700000114.6
860Y39.2Very low36.6Very low170 Ų170133.2 Ų133.267%0.66777%0.766SS**  trans-147.8138.1153.3-106-80.9000110.5E943Y860-E943 VanDerWaalsContact CE1-OE1 3.26Å; Y860-E943 WeakPolarHBondContact CE1-OE1 3.39Å; Y860-E943 VanDerWaalsContact CE2-OE2 3.24Å; Y860-E943 WeakPolarHBondContact CE2-OE2 3.38Å; Y860-E943 PolarHBondContact OH-OE1 3.23Å; Y860-E943 PolarHBondContact OH-OE2 2.67Å
861T38.8Very low36.8Very low116 Ų116128.6 Ų128.671%0.71277%0.766SS**  trans-102-176.7179.759.60000109.4
862D37Very low36.9Very low136 Ų136126.6 Ų126.673%0.72776%0.764SS**  cis-171.3-17525.7-139.4-45000112.2
863Q35.9Very low37Very low182 Ų182128.9 Ų128.985%0.8577%0.769SS**  trans88.693.8161.8-67.8173.52500120.8
864Q34Very low37.3Very low177 Ų177130.5 Ų130.583%0.82777%0.768SS**  trans-95.9165.9140.8-143.7175.9-40.600108.2
865P37.7Very low37.4Very low108 Ų108131.3 Ų131.370%0.70176%0.76SS**  -158168.785.840.1-18.9000118.8
866D31.7Very low37.4Very low137 Ų137134.1 Ų134.173%0.73376%0.763SS**  trans43.8120.9145.2-55.2-16.5000124.8
867I39.3Very low37.5Very low162 Ų162134 Ų13483%0.83176%0.759SS**  -150.3104.8129.4-59.2-167.2000113.1
868I39.6Very low37.6Very low147 Ų147134 Ų13475%0.75476%0.759SS**  43.1113129.7-50.3176.1000123.6
869S37.2Very low37.5Very low96 Ų96136.4 Ų136.467%0.67176%0.759SS**  trans35.1135131.6-47.80000126
870N39.4Very low37.6Very low163 Ų163140.7 Ų140.787%0.87276%0.761SS**  175.8125107.9-88-26.3000116.1
871G38.8Very low37.4Very low78 Ų78140.5 Ų140.580%0.80477%0.766SS**  trans56.3149.2137.800000123.2
872S38.2Very low37.2Very low109 Ų109146.5 Ų146.576%0.76278%0.776SS**  cis-163.5130.3-2.758.80000114.3
873I41Very low37.2Very low151 Ų151144.1 Ų144.177%0.77478%0.775SS**  trans33.5119.7134.7-33176000120.1
874L39.4Very low37.4Very low166 Ų166143.5 Ų143.587%0.86977%0.772SS**  -177.6135.4111.2-95.8168.3000114.8
875S37.7Very low37.5Very low95 Ų95141.9 Ų141.966%0.66477%0.768SS**  trans-92.6164.6174.853.50000110.9
876N36.6Very low37.3Very low151 Ų151141.1 Ų141.181%0.80777%0.765SS**  -174.3179.960.4-138.67.7000113.7
877E37.4Very low37.7Very low163 Ų163144.8 Ų144.876%0.76277%0.77SS**  trans-88.2177.2-164.6-59.1179.38300119.2
878T37.9Very low37.8Very low113 Ų113143.8 Ų143.869%0.69377%0.766SS**  trans97.7100.5140.239.70000123.2
879K35.4Very low38Very low180 Ų180142.3 Ų142.378%0.78376%0.764SS**  57.8126.8121.6-75.2-178.7179170.20122.9
880H37.6Very low38Very low154 Ų154145 Ų14571%0.71377%0.77SS**  113129.3125.4-89.920.5000121.7
881Q35.5Very low37.7Very low167 Ų167147.9 Ų147.978%0.7877%0.769SS**  trans76.895.4145.1-68.3176.6-800122.8
882R34.4Very low37.8Very low242 Ų242149 Ų14991%0.91376%0.762SS**  60.6134.3109-154.5-178.5-170110.62.5121.7
883A37.4Very low37.9Very low86 Ų86154.7 Ų154.771%0.71177%0.767SS**  trans74.4150162.200000116.5
884E38.7Very low37.8Very low169 Ų169158.4 Ų158.479%0.7977%0.771SS**  cis-165.4173.6-15.5-118.7179-157.700109.6
885L36.6Very low37.8Very low143 Ų143156.4 Ų156.475%0.74977%0.765SS**  trans71.1100154.3-71.1154.4000122.2
886S34.6Very low37.9Very low91 Ų91158.5 Ų158.564%0.63677%0.769SS**  trans8140.7130.259.80000122.5
887Y39.8Very low38Very low214 Ų214155.7 Ų155.784%0.83976%0.761SS**  trans-166105.9136.9-100.2-77.3000108.9
888L41.6Very low38Very low142 Ų142153.5 Ų153.574%0.74376%0.764SS**  81.3124.399.7-73.3-164000118.6
889V42.1Very low38.2Very low116 Ų116153.2 Ų153.270%0.70377%0.773SS**  trans69.8124.7134.6177.70000117.3
890D37.5Very low38.3Very low151 Ų151153.6 Ų153.681%0.80778%0.775SS**  -160.2166.855.6-140.9-15.6000116.4
891R33.3Very low38.4Very low225 Ų225153.7 Ų153.785%0.84978%0.776SS**  trans-130.2162.5171.7-106.4-178.8174.8-180-1.2106.4
892P41.9Very low38.5Very low100 Ų100154.7 Ų154.765%0.64978%0.781SS**  -165.7-178.654.744.2-20.5000120
893R40Very low38.5Very low230 Ų230147.3 Ų147.387%0.86877%0.771SS**  trans51.7119.4140.7-73.9163.5175.7161.5-2.5122
894R38.1Very low38.7Very low229 Ų229149.9 Ų149.986%0.86477%0.773SS**  177.8119.891-92.1-162.6174.8164.8-1.5114.1
895V41Very low38.9Very low123 Ų123148.5 Ų148.575%0.74577%0.77SS**  trans9.1128.6132-103.20000120.4
896N38.1Very low39.3Very low140 Ų140147.9 Ų147.975%0.74977%0.772SS**  -178.8141.791.2-110.68.7000115.9
897S38.9Very low39.4Very low91 Ų91148 Ų14864%0.63677%0.773SS**  trans63.8106.2138.2-48.40000124
898S38.8Very low39.6Very low117 Ų117142.7 Ų142.782%0.81877%0.767SS**  48.9119.5124.865.50000122.9
899A40.8Very low39.7Very low108 Ų108144.1 Ų144.189%0.89377%0.767SS**  -166.9157.5127.600000111.4
900F38.9Very low39.6Very low188 Ų188144.4 Ų144.483%0.82577%0.765SS**  trans-93.9137.1-167.7-136.9-114.1000113.3
901Q37.8Very low39.8Very low155 Ų155143.1 Ų143.172%0.72477%0.767SS**  trans39.1144.5148.4-85.7176.3-21.700125.1
902E38.2Very low40.2Very low189 Ų189136.1 Ų136.188%0.88377%0.765SS**  trans92.2143.5156.3-74.3-173.2164.800121.5
903A35.9Very low40.4Very low87 Ų87140.8 Ų140.872%0.71978%0.778SS**  trans83.2116.3177.400000120
904D40.2Very low40.5Very low139 Ų139133.4 Ų133.474%0.74377%0.773SS**  100.8117.3122.8-80.3-1.7000124.8
905I43.7Very low40.7Very low140 Ų140129.4 Ų129.472%0.71877%0.77SS**  trans70.8138.8137.4-49.2160.8000114.8
906V43.8Very low40.9Very low131 Ų131128.5 Ų128.579%0.79477%0.769SS**  -157.3146.152.2-146.90000107.3
907S37.8Very low41.1Very low94 Ų94130.2 Ų130.266%0.65777%0.772SS**  171.912074.5-171.20000107.9
908S43.6Very low41.2Very low102 Ų102134.5 Ų134.571%0.71378%0.782SS**  56136.699.899.90000114.4
909K43.4Very low41.2Very low171 Ų171132.7 Ų132.774%0.74378%0.781SS**  cis-159.6175.615.5-129.1-179170.9-122.10107.6
910D40.6Very low41.2Very low123 Ų123135.1 Ų135.166%0.65878%0.779SS**  cis-153.41755.9-142.9-10.6000109.1
911S42.3Very low41.5Very low123 Ų123131.2 Ų131.286%0.8678%0.776SS**  trans-104.2149-176.7-560000114.7
912G40.4Very low41.7Very low79 Ų79130.4 Ų130.481%0.81478%0.776SS**  trans-154.3104.2170.700000113.8
913H45.9Very low42.1Very low197 Ų197129.1 Ų129.191%0.91277%0.77SS**  trans-83.8151.9165.4-85.7-15.4000111
914G41.9Very low42.5Very low75 Ų75131.4 Ų131.477%0.77377%0.77SS**  trans-161.896.3171.100000110
915D42.3Very low42.6Very low146 Ų146129 Ų12978%0.78177%0.769SS**  trans-77.1-174.9172.2-63.5-63.7000111.8
916S46.1Very low42.6Very low104 Ų104128 Ų12873%0.72777%0.77SS**  trans84.6141.5171.9-53.30000116.7
917E42.7Very low42.4Very low175 Ų175128.5 Ų128.582%0.81877%0.768SS**  cis-163.9176.1-13.1-120167.6166.200110.3
918Q41.4Very low42.2Very low182 Ų182135.4 Ų135.485%0.8578%0.78SS**  trans-48.6159.3177.3-10174.63.200117.5
919G37.9Very low41.9Very low78 Ų78134.7 Ų134.780%0.80478%0.781SS**  trans-16846.1170.700000117.4
920D40.1Very low41.5Very low159 Ų159135 Ų13585%0.8579%0.785SS**  trans-77.5131.7163.2-84.6-42.8000110.6
921S46.2Very low41.2Very low107 Ų107134.6 Ų134.675%0.74879%0.791SS**  trans170.1125.8136.136.10000114
922D40.8Very low40.8Very low138 Ų138133.8 Ų133.874%0.73879%0.792SS**  trans20.9129.7134.3-49.2-34000120.4
923H46.8Very low40.5Very low161 Ų161133.5 Ų133.575%0.74579%0.789SS**  179.8127100.6-97-74.8000114.9
924D44.6Very low40Very low135 Ų135132.4 Ų132.472%0.72279%0.786SS**  trans58.8118.2136.7-67-32.5000125.5
925A43Very low39.5Very low88 Ų88136.3 Ų136.373%0.72779%0.79SS**  73129.3124.900000119.3
926T43.6Very low39.2Very low121 Ų121136.9 Ų136.974%0.74279%0.792SS**  cis-163.9147.549.241.80000114.4
927N38.2Very low38.5Very low140 Ų140141.1 Ų141.175%0.74980%0.797SS**  trans32.9118.3143.9-57.5-35.9000120.7
928R34.8Very low38.1Very low239 Ų239137.6 Ų137.690%0.90279%0.792SS**  42.811083.5-85.3-169172.9110.7-1.6115.4
929A36.2Very low37.8Very low88 Ų88136 Ų13673%0.72779%0.79SS**  170.3133.4103.300000115.2
930Q36.4Very low37.6Very low178 Ų178138.1 Ų138.183%0.83279%0.791SS**  trans53.9112.6135.9-65.7175.8-31.400123.3
931S33.7Very low37.5Very low114 Ų114137.5 Ų137.580%0.79779%0.792SS**  86.8141.6119.876.80000122.9
932A35.1Very low37.1Very low106 Ų106141 Ų14188%0.87680%0.797SS**  trans74.3136.7152.200000119.7
933G33.5Very low37Very low72 Ų72140.7 Ų140.774%0.74279%0.791SS**  trans137.570.1154.800000118.2
934M35.1Very low36.3Very low175 Ų175137.8 Ų137.886%0.86279%0.788SS**  trans40.4137135.1-59.8174.671.700122.3
935D32Very low35.8Very low157 Ų157141.9 Ų141.984%0.8480%0.799SS**  trans-59.5145.9162.4-50.7-77000113.3
936L35.1Very low35.6Very low157 Ų157141.4 Ų141.482%0.82280%0.796SS**  trans-157.9129.6159.6-115142.1000113.8
937F31.2Very low35.6Very low193 Ų193144.4 Ų144.485%0.84681%0.806SS**  trans-37.2151169.1-69.9-107.8000116.5
938S33.8Very low35.3Very low101 Ų101141.1 Ų141.171%0.70681%0.805SS**  162.9156.499.852.80000115.6
939N36.7Very low35.7Very low150 Ų150139.1 Ų139.180%0.80281%0.806SS**  trans63.8132162.6-64.6-11.3000118
940C32.6Very low35.9Very low122 Ų122139.7 Ų139.782%0.82480%0.804SS**  cis-148.1141.145.1-78.20000114.2
941T38.1Very low35.9Very low145 Ų145137.6 Ų137.689%0.8980%0.799SS**  trans-138.6110.715435.30000108.6
942E39Very low36.3Very low181 Ų181143 Ų14385%0.84680%0.802SS**  trans-149.5103.4174.4-104.6-8214700106.3
943E36.8Very low36.1Very low132 Ų132143.4 Ų143.462%0.61780%0.797SS**  trans-157.5129.6151.7-118163.1-170.800113.4Y860Y860-E943 VanDerWaalsContact CE1-OE1 3.26Å; Y860-E943 WeakPolarHBondContact CE1-OE1 3.39Å; Y860-E943 VanDerWaalsContact CE2-OE2 3.24Å; Y860-E943 WeakPolarHBondContact CE2-OE2 3.38Å; Y860-E943 PolarHBondContact OH-OE1 3.23Å; Y860-E943 PolarHBondContact OH-OE2 2.67Å
944C33Very low36.3Very low100 Ų100150.5 Ų150.568%0.67680%0.801SS**  trans59.369.4158-650000118.9A946C944-A946 PolarHBondContact O-N 2.91Å
945K33.3Very low36.1Very low220 Ų220151 Ų15196%0.95780%0.804SS**  trans-55.699.8134.3-78.7172.81781600110.3
946A39.6Very low36.2Very low79 Ų79147.9 Ų147.965%0.65379%0.792SS**  trans-139.1137.7159.700000108.3C944C944-A946 PolarHBondContact O-N 2.91Å
947L42.8Very low36.1Very low183 Ų183146.2 Ų146.296%0.95879%0.794SS**  trans93.483.5-164.9-57.2169.3000113.5
948G33.7Very low36.3Very low71 Ų71146.8 Ų146.873%0.73280%0.796SS**  trans-88.6136.6173.100000112.6
949H41.3Very low36.4Very low198 Ų198148.1 Ų148.192%0.91780%0.8SS**  trans-145.8163.2152.1-97.9-74.1000109.4
950S41.7Very low36.4Very low99 Ų99146.4 Ų146.469%0.69280%0.797SS**  trans-97.2142.8-146.653.20000117.4
951D36.1Very low36.6Very low135 Ų135146.2 Ų146.272%0.72280%0.797SS**  trans52.6113.1139.6-69.86.5000122.6
952R41.7Very low36.5Very low227 Ų227147.4 Ų147.486%0.85780%0.798SS**  trans74.3136.4145.9-58.4173.8-169.9-142.30.3116.6
953C31.5Very low36.2Very low114 Ų114142 Ų14277%0.7779%0.79SS**  cis-154144.416.3-1140000114
954W36.3Very low36.2Very low221 Ų221147.3 Ų147.384%0.83781%0.805SS**  trans39.4120.6142.7-101.451000124.2P956W954-P956 HydrophobicContact CE3-CG 4.29Å; W954-P956 HydrophobicContact CZ3-CB 4.32Å; W954-P956 HydrophobicContact CZ3-CG 4.11Å
955M31.1Very low36.4Very low185 Ų185151.4 Ų151.491%0.91181%0.814SS**  trans-137.8130.7136.9-94.1178.465.600109
956P35.4Very low36.2Very low93 Ų93145.8 Ų145.860%0.60481%0.808SS**PPolyproline II helixtrans-95159.1-177.636.2-34.5000114.3W954W954-P956 HydrophobicContact CE3-CG 4.29Å; W954-P956 HydrophobicContact CZ3-CB 4.32Å; W954-P956 HydrophobicContact CZ3-CG 4.11Å
957S33.5Very low36.1Very low122 Ų122146.9 Ų146.985%0.85382%0.818SS**PPolyproline II helixtrans-84148.3-173.6-43.10000114.5
958F33.7Very low35.7Very low204 Ų204145.5 Ų145.590%0.89581%0.811SS**PPolyproline II helixtrans-81.9135.6168.9-95.3-101.3000112.3
959V37.4Very low35.8Very low129 Ų129152.8 Ų152.878%0.78282%0.818SS**  trans-140.8125.4155.1-176.60000107.7
960P36.2Very low35.4Very low114 Ų114153.6 Ų153.674%0.7481%0.813SS**  trans-88.8143.5-179.934-33.1000112.4
961S36.6Very low35Very low119 Ų119154.6 Ų154.683%0.83282%0.82SS**  trans-159.3144.9164.4-75.10000110.8
962D34.9Very low34.8Very low170 Ų170155.5 Ų155.591%0.90983%0.825SS**  trans-67.3154.3-173.9-79.5-62.2000115.6
963G34.4Very low34.4Very low66 Ų66152.9 Ų152.968%0.6883%0.827SS**  99.989.4124.300000120.3
964R36.1Very low34.4Very low244 Ų244155 Ų15592%0.92183%0.826SS**  trans78.7146.1145-61.9178.8170.1169.8-1.8120.4
965Q36.1Very low34.5Very low186 Ų186151 Ų15187%0.86983%0.825SS**  trans81.383158.6-76170.6-21.700120.3
966A30.3Very low34.7Very low102 Ų102147.1 Ų147.184%0.84381%0.814SS**  58.6116.312000000121.6
967A37Very low34.6Very low103 Ų103146.3 Ų146.385%0.85182%0.822SS**  -162.8131.112600000110.9
968D35.1Very low34.7Very low153 Ų153148.2 Ų148.282%0.81882%0.82SS**  trans-76.2147-178-58.5-75.9000114.1
969Y35.4Very low34.7Very low224 Ų224146.2 Ų146.288%0.87882%0.818SS**  trans-149.684.4145.1-117.4-80.4000113.6
970R32.1Very low34.7Very low216 Ų216145.5 Ų145.582%0.81582%0.819SS**  trans34.7118.9146.7-68.6177.5131.885.50.1120.3
971S34Very low34.7Very low119 Ų119146.8 Ų146.883%0.83282%0.824SS**  -153.282.3113.561.90000111.1
972N31.7Very low34.9Very low154 Ų154146.6 Ų146.682%0.82482%0.82SS**  trans-84121175.6-66.6-12.2000110.2
973L33.3Very low34.8Very low173 Ų173146.4 Ų146.491%0.90682%0.819SS**  trans-113.5114.1151.9-157.676.6000106.6
974H32.1Very low35Very low159 Ų159149.8 Ų149.874%0.73683%0.827SS**  trans-115.6118.1-171.9-160.274.3000107.8
975V37.5Very low34.9Very low137 Ų137146.4 Ų146.483%0.8382%0.821SS**  trans-114.2102.8173.4-178.20000107.2
976P35.4Very low35Very low103 Ų103144.5 Ų144.567%0.66982%0.822SS**  trans-99.2134.2177.534.1-28.1000111.6
977G33.4Very low35.4Very low76 Ų76148.5 Ų148.578%0.78482%0.821SS**  trans139.185162.300000115.8
978M35.1Very low35.3Very low162 Ų162151.6 Ų151.680%0.79882%0.818SS**  trans-159.790.1152.8-120.1168.4143.800109.2
979D34.9Very low35.4Very low162 Ų162150.5 Ų150.587%0.86682%0.817SS**  trans-93.7157.4171.6-89.3-46000110.8
980S36.8Very low35.5Very low114 Ų114144.8 Ų144.880%0.79781%0.807SS**  trans75.596.8165.270.50000119.4
981V36.5Very low35.6Very low140 Ų140143.6 Ų143.685%0.84881%0.811SS**  trans-122.3131.7137.1178.60000106
982P40.7Very low35.8Very low115 Ų115142.3 Ų142.375%0.74781%0.808SS**  trans-80.4147.2-162.830.4-36000114.6
983D32.6Very low36.2Very low166 Ų166144.3 Ų144.389%0.88881%0.812SS**  trans-57.5147.2172.9-65.6-62.5000112.8
984T38.3Very low36.4Very low138 Ų138142 Ų14285%0.84781%0.807SS**  trans-115.8128.8166.9-420000110.2
985E35.9Very low36.5Very low172 Ų172137.9 Ų137.980%0.80481%0.808SS**  trans-50.1133.7-165.8-55.5174.816200116.5
986V36.6Very low36.5Very low146 Ų146135.9 Ų135.989%0.88581%0.806SS**  trans-129.9131.8151.1179.70000108.5
987F38.8Very low36.4Very low187 Ų187138.6 Ų138.682%0.8281%0.81SS**  trans-70.4145.1-168.6-113.9-103.8000114.7
988E35.2Very low36.4Very low167 Ų167145.1 Ų145.178%0.7881%0.81SS**  trans-58.1153.3169.4-57.1175.9127.800112
989T36.6Very low36.5Very low130 Ų130142.8 Ų142.880%0.79881%0.81SS**  -174.1163.783.724.80000111.6
990P38.8Very low36.3Very low104 Ų104145.5 Ų145.568%0.67582%0.815SS**  -124.4175.8-129.644.3-35.4000117.3
991E34.2Very low36.2Very low192 Ų192144.9 Ų144.990%0.89781%0.811SS**  trans53.4130.5150.6-70.5173.5160.700119.2
992A37.3Very low36.2Very low92 Ų92144.1 Ų144.176%0.7681%0.806SS**  -17113053.100000114.1
993Q40Very low36Very low195 Ų195149.3 Ų149.391%0.91182%0.817SS**  trans49.7157133.8-74.6-164-1.600124.2
994P37.5Very low36.4Very low125 Ų125144.3 Ų144.381%0.81281%0.805SS**  trans-120.8173.2-137.943.5-34.4000116.6
995G35.4Very low36.5Very low73 Ų73148.1 Ų148.175%0.75381%0.81SS**  trans176.6115.916300000117.5
996A36.6Very low36.5Very low95 Ų95148.5 Ų148.579%0.78581%0.812SS**  trans62.8117.6148.900000122.8
997E33Very low36.7Very low160 Ų160151.7 Ų151.775%0.74881%0.814SS**  trans46.2144.3135.2-51.6-170169.900124.4
998R34.6Very low36.6Very low212 Ų212146.8 Ų146.880%0.881%0.808SS**  trans103.9115.5148.7-55-164.3-179.6-172.5-3.9119.4
999S36.2Very low36.8Very low113 Ų113147 Ų14779%0.7981%0.813SS**  trans64.3109.7130.6-52.40000119.8S1001S999-S1001 PolarHBondContact O-N 3.04Å
1000F31.8Very low36.9Very low219 Ų219149.4 Ų149.496%0.96182%0.815SS**  trans-69.7118163.8-92.2-103.6000111.9
1001S33.4Very low36.8Very low102 Ų102149 Ų14971%0.71382%0.815SS**  trans-160.8129.8144.3-163.90000113S999S999-S1001 PolarHBondContact O-N 3.04Å
1002T36.4Very low37Very low123 Ų123145.6 Ų145.676%0.75581%0.807SS**  trans54.7119.7154.151.20000122.2
1003F38.2Very low36.9Very low224 Ų224148 Ų14898%0.98281%0.806SS**  trans-147141.6137.5-97.5-86.7000107.3
1004G39.2Very low36.9Very low61 Ų61146.8 Ų146.863%0.62980%0.801SS**  cis148151.6-4.900000111.3
1005K40.7Very low36.7Very low218 Ų218152.1 Ų152.195%0.94881%0.805SS**  trans-179.1113.5141.3-104.5164.8-175.3172.20112.2
1006E37.2Very low36.9Very low180 Ų180156.4 Ų156.484%0.84180%0.803SS**  trans-80.7161.2168.7-58.2174.9115.800112
1007K39.7Very low36.9Very low213 Ų213159 Ų15993%0.92680%0.798SS**  -150.2129.8126.2-109.9178.9-176.2-177.20109.5
1008A36.9Very low37Very low84 Ų84158.5 Ų158.569%0.69480%0.8SS**  trans-95.4159-169.600000113.9
1009L39Very low37.1Very low171 Ų171155.6 Ų155.690%0.89580%0.801SS**  trans-154145.2133.7-137.877.6000111.2
1010H38.8Very low37Very low182 Ų182153.4 Ų153.484%0.84380%0.796SS**  trans-63.6165.6173.7-69.7-91.4000111.6
1011S37.2Very low37.3Very low95 Ų95150.5 Ų150.566%0.66479%0.79SS**  cis-167.1147.235.855.80000113.8
1012T37.7Very low37.5Very low120 Ų120152.8 Ų152.874%0.73679%0.793SS**  trans32.7141.8138.960.40000120.8
1013L36.6Very low37.7Very low143 Ų143152.9 Ų152.975%0.74979%0.793SS**  cis-172.1146.746.6-127.8140.3000112.6
1014E38Very low37.6Very low170 Ų170149 Ų14979%0.79478%0.783SS**  trans26.8112.2156.2-66.7173159.300127.1
1015R35Very low37.7Very low236 Ų236153.2 Ų153.289%0.89180%0.797SS**  4.4122.3116.3-165.9-175-157.8162.44.9121.8
1016K38.4Very low37.5Very low164 Ų164154.9 Ų154.971%0.71380%0.797SS**  171.6154122.8-105.2-176.5160-139.60116.2
1017E38Very low37.9Very low148 Ų148150.7 Ų150.769%0.69279%0.794SS**  trans54.5126.1156.4-72.3145.4-155.900118.9
1018L34.2Very low38.3Very low150 Ų150146.1 Ų146.179%0.78579%0.786SS**  cis87.7122.947.1-15980.5000114.4
1019D35.8Very low38.6Very low152 Ų152151.3 Ų151.381%0.81379%0.789SS**  trans66.1137.4170-69.4-23.7000121.9
1020G34.8Very low38.7Very low67 Ų67150.9 Ų150.969%0.69178%0.779SS**  trans137.389.2148.500000120.1
1021L38.6Very low39.5Very low158 Ų158147.5 Ų147.583%0.82777%0.774SS**  trans67.2113.8136.5-57.2167.5000122.4
1022L37.1Very low40.1Very low149 Ų149147.8 Ų147.878%0.7877%0.773SS**  47125.6128.5-63168000121.4
1023T39.8Very low40.4Very low125 Ų125152.4 Ų152.477%0.76778%0.779SS**  -174.8132.3104.423.30000116
1024N37.4Very low40.8Very low142 Ų142153.1 Ų153.176%0.75978%0.782SS**  trans44.3122.7142-65.4-25.1000123.4
1025T41.1Very low41Very low151 Ų151150.6 Ų150.693%0.92678%0.779SS**  -162.9129.3107.713.10000112.6
1026R37.2Very low41.5Very low252 Ų252151.2 Ų151.295%0.95178%0.781SS**  trans-159128.9176.3-171.5-172.6-165.1-171.67.7110.7
1027A44.5Very low41.6Very low93 Ų93152.2 Ų152.277%0.76979%0.786SS**  trans-174164.4163.200000111.3
1028P48.4Very low42Very low117 Ų117157.1 Ų157.176%0.7680%0.798SS**  -136.8-155.7-114.439.5-18.5000116.4
1029Y42.4Very low42.3Very low193 Ų193156.7 Ų156.776%0.75780%0.795SS**  trans90141.4176.7-87.5-143.2000117.2
1030K42.1Very low42.5Very low161 Ų161159 Ų15970%0.782%0.82SS**  cis-162.1155.9-9.7-127.2-174.3-174.7169.50110.3
1031P54.8Low42.9Very low112 Ų112163.6 Ų163.673%0.72783%0.827SS**  trans-106.3-176.3-178.444-36.2000113.3
1032P50.5Low43.1Very low101 Ų101163.8 Ų163.866%0.65683%0.827SS**  -163.7177.985.445.9-25.3000120.2
1033Y43.2Very low43.4Very low216 Ų216164.7 Ų164.785%0.84783%0.829SS**  trans63.4128.8153-71.9-57.9000120.8
1034L45.5Very low43.7Very low158 Ų158167 Ų16783%0.82783%0.833SS**  -165.9175.350.1-120.5163.5000113.6
1035T43Very low44.1Very low117 Ų117168.6 Ų168.672%0.71884%0.838SS**  trans-111.4155.8-160.451.70000117.3
1036R45.8Very low44.3Very low250 Ų250169.7 Ų169.794%0.94383%0.832SS**  -167.2138.3116.8-114.7178.4179.3-174.1-0.8115.2
1037K38.8Very low44.8Very low185 Ų185163.9 Ų163.980%0.80482%0.823SS**  trans-92.2158.6167.1-68.9179.2169.1-175.20110.6
1038R47.5Very low44.8Very low250 Ų250169.3 Ų169.394%0.94383%0.827SS**  -165.5161.4108.8-106.9-177.9-171.9-166.71.7113
1039I40.2Very low44.5Very low142 Ų142173.7 Ų173.773%0.72883%0.833SS**  trans-101.1137.1-170.5-66.1152.8000108.7
1040C40Very low44.7Very low199 Ų199171.9 Ų171.9100%1.34584%0.84SS**  -127.50127.6-77.10000106.1

Retrieved 1,040 of 1,040 residues in 990.3 ms (Link to these results)

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