A0A087XIS4_POEFO Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (A0A3B3V8H4), UniProt , Accession A0A087XIS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.8Very low43.3Very low250 Ų250139.5 Ų139.5100%1.23277%0.769SS**  086.10-69.6176.2-174.800107.8
2T30.8Very low46.8Very low138 Ų138130.8 Ų130.885%0.84773%0.726SS**  trans-90.4123.5179.229.50000108.5M4T2-M4 PolarHBondContact O-N 3.46Å
3S33.7Very low50Low101 Ų101128 Ų12871%0.70672%0.717SS**  trans-64.8112.7-177177.60000111.2S5S3-S5 PolarHBondContact O-N 2.84Å; S3-S5 VanDerWaalsContact O-N 3.1Å; S3-S5 PolarHBondContact OG-OG 3.06Å
4M37.3Very low52.9Low192 Ų192119.6 Ų119.695%0.94667%0.672SS**  trans-73.588166.1-71.6-176.4-90.400109.2T2T2-M4 PolarHBondContact O-N 3.46Å
5S38.8Very low55.6Low97 Ų97111.7 Ų111.768%0.67863%0.628SS**  trans-118.155.5176.7-58.40000111.8S3S3-S5 PolarHBondContact O-N 2.84Å; S3-S5 VanDerWaalsContact O-N 3.1Å; S3-S5 PolarHBondContact OG-OG 3.06Å
6S45.6Very low58Low111 Ų111112.9 Ų112.978%0.77662%0.624SS**  trans-159.760179.8-174.10000115.3
7L39Very low60.1Low154 Ų154113.1 Ų113.181%0.80661%0.613SS**SBendtrans-140.8-0.2174-82.1179.5000119.6
8F40.7Very low62.1Low172 Ų172106.8 Ų106.875%0.75458%0.579SS**  trans-142.590.9174.1-60.8-77.1000113.3F10F8-F10 HydrophobicContact CB-CD2 3.8Å; F8-F10 HydrophobicContact CB-CE2 3.48Å; F8-F10 VanDerWaalsContact CB-CE2 3.48Å; F8-F10 HydrophobicContact CB-CZ 4.12Å; F8-F10 HydrophobicContact CG-CE2 4.15Å; F8-F10 HydrophobicContact CG-CZ 4.37Å; F8-F10 PolarHBondContact O-N 3.16Å
9S47.3Very low63.9Low100 Ų100103.2 Ų103.270%0.69956%0.559SS**  trans-7599.5156-132.50000107.1T11S9-T11 PolarHBondContact O-N 3.38Å
10F57.3Low65.4Low187 Ų187101.5 Ų101.582%0.8257%0.566SS**  trans-73.572.6176.6-79.2-86.2000110.4F8F8-F10 HydrophobicContact CB-CD2 3.8Å; F8-F10 HydrophobicContact CB-CE2 3.48Å; F8-F10 VanDerWaalsContact CB-CE2 3.48Å; F8-F10 HydrophobicContact CB-CZ 4.12Å; F8-F10 HydrophobicContact CG-CE2 4.15Å; F8-F10 HydrophobicContact CG-CZ 4.37Å; F8-F10 PolarHBondContact O-N 3.16Å
11T69.6Low66.8Low32 Ų32100 Ų10020%0.19655%0.552CS.*  trans-69.9130.1165.242.70000109.3S9 K16 E32S9-T11 PolarHBondContact O-N 3.38Å; T11-K16 WeakPolarHBondContact OG1-CE 3.39Å; T11-K16 WeakPolarHBondContact OG1-CG 3.39Å; T11-E32 HydrophobicContact CG2-CG 3.97Å; T11-E32 WeakPolarHBondContact CG2-OE1 3.43Å
12S85.3Confident69.6Low35 Ų3590 Ų9025%0.24550%0.502CS..  trans-55.5142.5177.6179.30000110.2A14 V15 K16S12-A14 PolarHBondContact O-N 2.91Å; S12-A14 VanDerWaalsContact O-N 3.08Å; S12-V15 WeakPolarHBondContact O-CA 3.39Å; S12-V15 WeakPolarHBondContact O-CB 3.08Å; S12-V15 PolarHBondContact O-N 2.68Å; S12-K16 PolarHBondContact O-N 3.38Å; S12-K16 VanDerWaalsContact O-N 3.08Å
13P89.1Confident72.7Confident95 Ų9587.7 Ų87.762%0.61748%0.481SS*.Hα-helixtrans-51.9-34.3177.2-29.335.3000113.9K16 R17P13-K16 PolarHBondContact O-N 3.2Å; P13-R17 WeakPolarHBondContact O-CB 3.38Å; P13-R17 PolarHBondContact O-N 3.37Å
14A90.8Very high75.3Confident11 Ų1184.7 Ų84.79%0.09147%0.466CS..Hα-helixtrans-66.5-38.7175.100000112.7S12 R17 L18 V39 M49S12-A14 PolarHBondContact O-N 2.91Å; S12-A14 VanDerWaalsContact O-N 3.08Å; A14-R17 PolarHBondContact O-N 2.73Å; A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 WeakPolarHBondContact O-CG 3.41Å; A14-L18 PolarHBondContact O-N 2.85Å; A14-V39 HydrophobicContact CB-CG1 4.2Å; A14-V39 HydrophobicContact CB-CG2 4.47Å; A14-M49 HydrophobicContact CB-SD 4.47Å
15V93.7Very high77.3Confident1 Ų182.9 Ų82.91%0.00646%0.461CS..Hα-helixtrans-65.7-46.2176.51750000110S12 R17 L18 L19 E32 V35 D36 V39S12-V15 WeakPolarHBondContact O-CA 3.39Å; S12-V15 WeakPolarHBondContact O-CB 3.08Å; S12-V15 PolarHBondContact O-N 2.68Å; V15-R17 VanDerWaalsContact C-N 3.3Å; V15-R17 PolarHBondContact O-N 3.29Å; V15-L18 PolarHBondContact O-N 2.91Å; V15-L19 HydrophobicContact CG1-CD1 3.77Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 WeakPolarHBondContact O-CB 3.12Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.42Å; V15-L19 PolarHBondContact O-N 3.4Å; V15-E32 HydrophobicContact CG1-CG 4.48Å; V15-V35 HydrophobicContact CB-CG1 4.42Å; V15-V35 HydrophobicContact CG1-CB 4.42Å; V15-V35 HydrophobicContact CG1-CG1 4.03Å; V15-V35 HydrophobicContact CG2-CG1 4.48Å; V15-D36 HydrophobicContact CG2-CB 4.15Å; V15-V39 HydrophobicContact CG2-CB 4.21Å; V15-V39 HydrophobicContact CG2-CG2 3.91Å
16K93.3Very high79Confident131 Ų13186.5 Ų86.557%0.5747%0.467SS*.Hα-helixtrans-57.5-43.8175.4-69.2-170.4179.6-1750111.9T11 S12 P13 L19 G20T11-K16 WeakPolarHBondContact OG1-CE 3.39Å; T11-K16 WeakPolarHBondContact OG1-CG 3.39Å; S12-K16 PolarHBondContact O-N 3.38Å; S12-K16 VanDerWaalsContact O-N 3.08Å; P13-K16 PolarHBondContact O-N 3.2Å; K16-L19 PolarHBondContact O-N 2.98Å; K16-G20 PolarHBondContact O-N 2.97Å
17R94.4Very high80.8Confident115 Ų11584.4 Ų84.443%0.43445%0.445SS..Hα-helixtrans-62.2-49.9177.9-163.3-174.3-55.4123.9-1111.6P13 A14 V15 L19 G20 W21 E53P13-R17 WeakPolarHBondContact O-CB 3.38Å; P13-R17 PolarHBondContact O-N 3.37Å; A14-R17 PolarHBondContact O-N 2.73Å; V15-R17 VanDerWaalsContact C-N 3.3Å; V15-R17 PolarHBondContact O-N 3.29Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.5Å; R17-G20 WeakPolarHBondContact O-CA 3.45Å; R17-G20 PolarHBondContact O-N 3.37Å; R17-W21 HydrophobicContact CG-CH2 3.89Å; R17-W21 HydrophobicContact CG-CZ3 3.96Å; R17-W21 VanDerWaalsContact O-CE3 3.27Å; R17-W21 VanDerWaalsContact O-CZ3 3.29Å; R17-W21 WeakPolarHBondContact O-CZ3 3.41Å; R17-E53 WeakPolarHBondContact CD-OE1 3.32Å; R17-E53 IonicContact CZ-OE1 3.25Å; R17-E53 IonicContact NE-OE1 3.67Å; R17-E53 IonicContact NH1-OE1 3.84Å; R17-E53 PolarHBondContact NH1-OE1 2.99Å; R17-E53 IonicContact NH1-OE2 2.85Å
18L96.1Very high83.2Confident0 Ų083.3 Ų83.30%044%0.436CS..Hα-helixtrans-64.8-32.3179.9-72.5175.6000113.5A14 V15 G20 W21 V35 V39 L52 E53 L56 W93A14-L18 WeakPolarHBondContact O-CB 3.39Å; A14-L18 WeakPolarHBondContact O-CG 3.41Å; A14-L18 PolarHBondContact O-N 2.85Å; V15-L18 PolarHBondContact O-N 2.91Å; L18-G20 PolarHBondContact O-N 3.02Å; L18-W21 HydrophobicContact CD2-CE3 4.24Å; L18-W21 HydrophobicContact CD2-CZ3 3.94Å; L18-W21 PolarHBondContact O-N 3.12Å; L18-V35 HydrophobicContact CB-CG1 3.61Å; L18-V35 HydrophobicContact CD1-CG1 3.94Å; L18-V35 HydrophobicContact CG-CG1 4.45Å; L18-V39 HydrophobicContact CD1-CG2 3.54Å; L18-L52 HydrophobicContact CD1-CD2 4.15Å; L18-L52 HydrophobicContact CD2-CD2 3.87Å; L18-L52 HydrophobicContact CD2-CG 4.07Å; L18-E53 HydrophobicContact CD2-CG 4.12Å; L18-L56 HydrophobicContact CD2-CD1 3.66Å; L18-W93 HydrophobicContact CB-CZ2 4.34Å; L18-W93 PolarHBondContact O-NE1 2.94Å
19L95.6Very high85.6Confident39 Ų3983 Ų8320%0.20443%0.434CS..Hα-helixtrans-70.2-20.1172.6-71.6170.8000112.7V15 K16 R17 W21 K22 A31 E32 V35V15-L19 HydrophobicContact CG1-CD1 3.77Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 WeakPolarHBondContact O-CB 3.12Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.42Å; V15-L19 PolarHBondContact O-N 3.4Å; K16-L19 PolarHBondContact O-N 2.98Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.5Å; L19-W21 PolarHBondContact O-N 2.86Å; L19-K22 HydrophobicContact CD2-CD 4.33Å; L19-K22 WeakPolarHBondContact O-CB 3.23Å; L19-K22 PolarHBondContact O-N 3.25Å; L19-A31 HydrophobicContact CD2-CB 4.28Å; L19-E32 HydrophobicContact CD1-CB 4.1Å; L19-E32 HydrophobicContact CD1-CG 4.04Å; L19-V35 HydrophobicContact CD2-CB 4.27Å; L19-V35 HydrophobicContact CD2-CG2 3.86Å; L19-V35 HydrophobicContact CG-CB 4.5Å; L19-V35 HydrophobicContact CG-CG1 4.5Å; L19-V35 HydrophobicContact CG-CG2 4.46Å
20G94.1Very high87.8Confident68 Ų6879.8 Ų79.870%0.70141%0.406SS*.THydrogen-bonded Turntrans-63.4-19.3174.200000114.4K16 R17 L18K16-G20 PolarHBondContact O-N 2.97Å; R17-G20 WeakPolarHBondContact O-CA 3.45Å; R17-G20 PolarHBondContact O-N 3.37Å; L18-G20 PolarHBondContact O-N 3.02Å
21W95.3Very high89.6Confident70 Ų7071 Ų7127%0.26537%0.369SS..THydrogen-bonded Turntrans-100.22.3172.9-62-75.5000113.6R17 L18 L19 Q23 E53 L56R17-W21 HydrophobicContact CG-CH2 3.89Å; R17-W21 HydrophobicContact CG-CZ3 3.96Å; R17-W21 VanDerWaalsContact O-CE3 3.27Å; R17-W21 VanDerWaalsContact O-CZ3 3.29Å; R17-W21 WeakPolarHBondContact O-CZ3 3.41Å; L18-W21 HydrophobicContact CD2-CE3 4.24Å; L18-W21 HydrophobicContact CD2-CZ3 3.94Å; L18-W21 PolarHBondContact O-N 3.12Å; L19-W21 PolarHBondContact O-N 2.86Å; W21-Q23 PolarHBondContact O-NE2 3.2Å; W21-E53 HydrophobicContact CH2-CB 4.38Å; W21-E53 HydrophobicContact CH2-CG 4.28Å; W21-E53 HydrophobicContact CZ3-CG 4.31Å; W21-L56 HydrophobicContact CB-CB 4.34Å; W21-L56 HydrophobicContact CB-CD1 4.44Å; W21-L56 HydrophobicContact CD2-CB 3.69Å; W21-L56 HydrophobicContact CD2-CD1 4.24Å; W21-L56 HydrophobicContact CE3-CB 3.91Å; W21-L56 HydrophobicContact CE3-CD1 3.72Å; W21-L56 HydrophobicContact CE3-CG 4.48Å; W21-L56 HydrophobicContact CG-CB 3.88Å; W21-L56 HydrophobicContact CZ3-CB 4.49Å; W21-L56 HydrophobicContact CZ3-CD1 4.35Å
22K94.8Very high90.8Very high40 Ų4072.1 Ų72.117%0.17437%0.371CS..  trans-58.1142.6179.4-174.1-172.3103.370.20109.9L19 G24 E26 A31 V92L19-K22 HydrophobicContact CD2-CD 4.33Å; L19-K22 WeakPolarHBondContact O-CB 3.23Å; L19-K22 PolarHBondContact O-N 3.25Å; K22-G24 WeakPolarHBondContact CE-O 3.32Å; K22-G24 PolarHBondContact NZ-O 3.41Å; K22-E26 PolarHBondContact NZ-O 2.98Å; K22-A31 HydrophobicContact CD-CB 3.62Å; K22-A31 HydrophobicContact CG-CB 4.45Å; K22-V92 CarbonylContact C-O 3.54Å; K22-V92 WeakPolarHBondContact CA-O 3.42Å; K22-V92 HydrophobicContact CG-CG1 4.19Å; K22-V92 WeakPolarHBondContact CG-O 3.36Å
23Q94.1Very high91.2Very high90 Ų9075.7 Ų75.742%0.42138%0.383SS..  trans-99.9145.3174-59.6-59.1-45.300111.1W21 V92 W93 P96W21-Q23 PolarHBondContact O-NE2 3.2Å; Q23-V92 PolarHBondContact N-O 3.39Å; Q23-W93 WeakPolarHBondContact CG-O 3.26Å; Q23-P96 VanDerWaalsContact C-CG 3.5Å; Q23-P96 HydrophobicContact CB-CG 3.43Å; Q23-P96 VanDerWaalsContact CB-CG 3.43Å
24G88.9Confident91.5Very high38 Ų3871.1 Ų71.139%0.39235%0.353SS..SBendtrans66.8168.6-177.500000114K22K22-G24 WeakPolarHBondContact CE-O 3.32Å; K22-G24 PolarHBondContact NZ-O 3.41Å
25D79.8Confident91.8Very high154 Ų15470.6 Ų70.682%0.82435%0.349SS*.SBendtrans-106.9-15.9178.3-62.3-38.6000112.8
26E74.4Confident91.9Very high173 Ų17373.1 Ų73.181%0.80836%0.362SS*.THydrogen-bonded Turntrans-67.5142.1178.6-58-169.6158.700111.2K22 E28K22-E26 PolarHBondContact NZ-O 2.98Å; E26-E28 PolarHBondContact O-N 2.8Å
27E84.2Confident91.9Very high67 Ų6768.2 Ų68.231%0.31335%0.346SS..THydrogen-bonded Turntrans64.232.3175.5-47.6-163.5112.100116.6K29 W30 A31 R81 R91E27-K29 PolarHBondContact O-N 3.38Å; E27-W30 HydrophobicContact CB-CB 4.17Å; E27-W30 WeakPolarHBondContact O-CA 3.22Å; E27-W30 WeakPolarHBondContact O-CB 3.49Å; E27-W30 PolarHBondContact O-N 3.32Å; E27-A31 PolarHBondContact O-N 3.4Å; E27-R81 IonicContact OE1-CZ 3.19Å; E27-R81 VanDerWaalsContact OE1-CZ 3.32Å; E27-R81 IonicContact OE1-NH1 3.99Å; E27-R81 PolarHBondContact OE1-NH1 3.34Å; E27-R81 IonicContact OE1-NH2 3.78Å; E27-R81 PolarHBondContact OE1-NH2 3.42Å; E27-R81 IonicContact OE2-NH1 2.98Å; E27-R91 IonicContact OE2-CZ 3.57Å; E27-R91 IonicContact OE2-NH1 3.84Å; E27-R91 IonicContact OE2-NH2 3.19Å; E27-R91 PolarHBondContact OE2-NH2 2.99Å
28E88.7Confident92Very high131 Ų13162.7 Ų62.761%0.61233%0.325SS*.Hα-helixtrans-48.8-50.5-179.6-170.8179.9-171.300114.1E26 W30 A31 E32E26-E28 PolarHBondContact O-N 2.8Å; E28-W30 PolarHBondContact O-N 3.27Å; E28-A31 PolarHBondContact O-N 3.27Å; E28-A31 VanDerWaalsContact O-N 3.13Å; E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 3.35Å
29K91Very high92Very high167 Ų16762.8 Ų62.873%0.72633%0.326SS*.Hα-helixtrans-59.8-30.8178.3-68.2-178.7-179.2175.10113.2E27 K33E27-K29 PolarHBondContact O-N 3.38Å; K29-K33 WeakPolarHBondContact O-CG 3.44Å; K29-K33 PolarHBondContact O-N 3.22Å
30W93Very high91.9Very high31 Ų3166.9 Ų66.912%0.11734%0.342CS..Hα-helixtrans-75.7-44.5177.3174.689.1000110.5E27 E28 E32 K33 A34 I88 V92E27-W30 HydrophobicContact CB-CB 4.17Å; E27-W30 WeakPolarHBondContact O-CA 3.22Å; E27-W30 WeakPolarHBondContact O-CB 3.49Å; E27-W30 PolarHBondContact O-N 3.32Å; E28-W30 PolarHBondContact O-N 3.27Å; W30-E32 VanDerWaalsContact C-N 3.34Å; W30-E32 PolarHBondContact O-N 2.96Å; W30-K33 PolarHBondContact O-N 3.26Å; W30-A34 PolarHBondContact O-N 2.91Å; W30-I88 HydrophobicContact CH2-CB 4.4Å; W30-I88 HydrophobicContact CH2-CG1 4.42Å; W30-I88 HydrophobicContact CH2-CG2 3.79Å; W30-I88 HydrophobicContact CZ2-CG1 4.31Å; W30-I88 HydrophobicContact CZ2-CG2 4.11Å; W30-V92 HydrophobicContact CH2-CG2 4.33Å; W30-V92 HydrophobicContact CZ3-CG2 3.76Å
31A94.4Very high91.9Very high3 Ų367.3 Ų67.33%0.02532%0.324CS..Hα-helixtrans-62.1-42177.400000111.8L19 K22 E27 E28 K33 A34 V35 V92L19-A31 HydrophobicContact CD2-CB 4.28Å; K22-A31 HydrophobicContact CD-CB 3.62Å; K22-A31 HydrophobicContact CG-CB 4.45Å; E27-A31 PolarHBondContact O-N 3.4Å; E28-A31 PolarHBondContact O-N 3.27Å; E28-A31 VanDerWaalsContact O-N 3.13Å; A31-K33 VanDerWaalsContact C-N 3.32Å; A31-K33 PolarHBondContact O-N 3.43Å; A31-A34 WeakPolarHBondContact O-CB 3.37Å; A31-A34 PolarHBondContact O-N 3.35Å; A31-A34 VanDerWaalsContact O-N 3.09Å; A31-V35 WeakPolarHBondContact O-CG2 3.29Å; A31-V35 PolarHBondContact O-N 2.88Å; A31-V92 HydrophobicContact CB-CG2 4.33Å
32E94.9Very high91.9Very high55 Ų5564 Ų6426%0.25731%0.312SS..Hα-helixtrans-55-47.2174.2-174.3-171.516300111.6T11 V15 L19 E28 W30 A34 V35 D36T11-E32 HydrophobicContact CG2-CG 3.97Å; T11-E32 WeakPolarHBondContact CG2-OE1 3.43Å; V15-E32 HydrophobicContact CG1-CG 4.48Å; L19-E32 HydrophobicContact CD1-CB 4.1Å; L19-E32 HydrophobicContact CD1-CG 4.04Å; E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 3.35Å; W30-E32 VanDerWaalsContact C-N 3.34Å; W30-E32 PolarHBondContact O-N 2.96Å; E32-A34 PolarHBondContact O-N 3.4Å; E32-V35 PolarHBondContact O-N 3.37Å; E32-D36 VanDerWaalsContact O-CB 3.31Å; E32-D36 WeakPolarHBondContact O-CB 3.16Å; E32-D36 PolarHBondContact O-N 3.18Å
33K94.9Very high91.8Very high110 Ų11068.9 Ų68.948%0.47833%0.333SS..Hα-helixtrans-65.6-37175.9-69.9177.6-174.9-175.30112.7K29 W30 A31 A37 V78 S79K29-K33 WeakPolarHBondContact O-CG 3.44Å; K29-K33 PolarHBondContact O-N 3.22Å; W30-K33 PolarHBondContact O-N 3.26Å; A31-K33 VanDerWaalsContact C-N 3.32Å; A31-K33 PolarHBondContact O-N 3.43Å; K33-A37 WeakPolarHBondContact O-CB 3.37Å; K33-A37 PolarHBondContact O-N 3.48Å; K33-V78 HydrophobicContact CB-CG1 4.04Å; K33-S79 WeakPolarHBondContact CD-OG 3.39Å; K33-S79 PolarHBondContact NZ-OG 2.94Å
34A95.5Very high91.7Very high0 Ų073.6 Ų73.60%035%0.352CS..Hα-helixtrans-64.8-45177.700000111.6W30 A31 E32 L38 V78 I88 Y89W30-A34 PolarHBondContact O-N 2.91Å; A31-A34 WeakPolarHBondContact O-CB 3.37Å; A31-A34 PolarHBondContact O-N 3.35Å; A31-A34 VanDerWaalsContact O-N 3.09Å; E32-A34 PolarHBondContact O-N 3.4Å; A34-L38 PolarHBondContact O-N 3.32Å; A34-V78 HydrophobicContact CB-CG1 3.85Å; A34-V78 HydrophobicContact CB-CG2 4.24Å; A34-I88 HydrophobicContact CB-CG2 4.13Å; A34-Y89 HydrophobicContact CB-CE1 4.44Å; A34-Y89 PolarHBondContact O-OH 3.43Å; A34-Y89 VanDerWaalsContact O-OH 3.04Å
35V96.9Very high91.9Very high0 Ų075.6 Ų75.60%035%0.35CS..Hα-helixtrans-70.9-41.8179.4175.30000110.8V15 L18 L19 A31 E32 A37 L38 V39 V92 W93V15-V35 HydrophobicContact CB-CG1 4.42Å; V15-V35 HydrophobicContact CG1-CB 4.42Å; V15-V35 HydrophobicContact CG1-CG1 4.03Å; V15-V35 HydrophobicContact CG2-CG1 4.48Å; L18-V35 HydrophobicContact CB-CG1 3.61Å; L18-V35 HydrophobicContact CD1-CG1 3.94Å; L18-V35 HydrophobicContact CG-CG1 4.45Å; L19-V35 HydrophobicContact CD2-CB 4.27Å; L19-V35 HydrophobicContact CD2-CG2 3.86Å; L19-V35 HydrophobicContact CG-CB 4.5Å; L19-V35 HydrophobicContact CG-CG1 4.5Å; L19-V35 HydrophobicContact CG-CG2 4.46Å; A31-V35 WeakPolarHBondContact O-CG2 3.29Å; A31-V35 PolarHBondContact O-N 2.88Å; E32-V35 PolarHBondContact O-N 3.37Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 2.68Å; V35-L38 WeakPolarHBondContact O-CB 3.49Å; V35-L38 PolarHBondContact O-N 2.99Å; V35-L38 VanDerWaalsContact O-N 3.11Å; V35-V39 HydrophobicContact CG1-CG2 4.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.5Å; V35-V39 PolarHBondContact O-N 2.76Å; V35-V92 HydrophobicContact CG2-CG1 4.11Å; V35-W93 HydrophobicContact CG2-CZ2 3.98Å
36D95.3Very high92.5Very high53 Ų5378.7 Ų78.728%0.28336%0.356SS..Hα-helixtrans-59-45.2174.217869.2000112V15 E32 L38 V39 K40V15-D36 HydrophobicContact CG2-CB 4.15Å; E32-D36 VanDerWaalsContact O-CB 3.31Å; E32-D36 WeakPolarHBondContact O-CB 3.16Å; E32-D36 PolarHBondContact O-N 3.18Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 3.09Å; D36-V39 PolarHBondContact O-N 2.87Å; D36-K40 WeakPolarHBondContact O-CG 3.39Å; D36-K40 PolarHBondContact O-N 2.99Å; D36-K40 IonicContact OD1-NZ 3.87Å; D36-K40 VanDerWaalsContact OD2-CE 3.28Å; D36-K40 WeakPolarHBondContact OD2-CE 3.44Å; D36-K40 IonicContact OD2-NZ 2.64Å; D36-K40 PolarHBondContact OD2-NZ 2.87Å
37A93.9Very high93.4Very high28 Ų2871.7 Ų71.723%0.23133%0.331CS..Hα-helixtrans-62.3-35.8174.900000112.5K33 V35 K41K33-A37 WeakPolarHBondContact O-CB 3.37Å; K33-A37 PolarHBondContact O-N 3.48Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 2.68Å; A37-K41 WeakPolarHBondContact O-CG 3.38Å; A37-K41 PolarHBondContact O-N 3.38Å
38L96.6Very high94Very high0 Ų068.7 Ų68.70%032%0.318CS..Hα-helixtrans-67.3-50175.6-174.461000111.9A34 V35 D36 K40 K41 L42 L52 I68 Y89 W93 I123A34-L38 PolarHBondContact O-N 3.32Å; V35-L38 WeakPolarHBondContact O-CB 3.49Å; V35-L38 PolarHBondContact O-N 2.99Å; V35-L38 VanDerWaalsContact O-N 3.11Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 3.09Å; L38-K40 PolarHBondContact O-N 2.81Å; L38-K41 CarbonylContact O-C 3.58Å; L38-K41 WeakPolarHBondContact O-CA 3.47Å; L38-K41 WeakPolarHBondContact O-CB 3.2Å; L38-K41 PolarHBondContact O-N 2.95Å; L38-L42 HydrophobicContact CD1-CD1 4.1Å; L38-L42 HydrophobicContact CD1-CD2 4.18Å; L38-L42 HydrophobicContact CD1-CG 3.91Å; L38-L42 HydrophobicContact CD2-CD1 3.95Å; L38-L42 HydrophobicContact CG-CD1 3.72Å; L38-L42 HydrophobicContact CG-CG 3.91Å; L38-L42 PolarHBondContact O-N 3.21Å; L38-L52 HydrophobicContact CD2-CD2 3.78Å; L38-I68 HydrophobicContact CD1-CG2 3.57Å; L38-Y89 HydrophobicContact CB-CE1 3.74Å; L38-Y89 WeakPolarHBondContact CB-OH 3.43Å; L38-Y89 HydrophobicContact CD1-CE1 4.36Å; L38-Y89 HydrophobicContact CD1-CE2 3.88Å; L38-Y89 HydrophobicContact CD2-CD1 3.94Å; L38-Y89 HydrophobicContact CD2-CE1 3.71Å; L38-Y89 HydrophobicContact CD2-CE2 4.45Å; L38-Y89 HydrophobicContact CD2-CG 4.44Å; L38-Y89 HydrophobicContact CG-CE1 4.13Å; L38-W93 HydrophobicContact CD2-CH2 3.46Å; L38-W93 VanDerWaalsContact CD2-CH2 3.46Å; L38-W93 HydrophobicContact CD2-CZ2 4.49Å; L38-W93 HydrophobicContact CD2-CZ3 4.13Å; L38-I123 HydrophobicContact CD1-CD1 4.18Å; L38-I123 HydrophobicContact CD1-CG1 4.14Å; L38-I123 HydrophobicContact CD2-CD1 3.96Å
39V96Very high94.3Very high2 Ų264 Ų641%0.01230%0.296CS..Hα-helixtrans-56.3-40.8-177.6167.60000110.4A14 V15 L18 V35 D36 K41 L42 K43A14-V39 HydrophobicContact CB-CG1 4.2Å; A14-V39 HydrophobicContact CB-CG2 4.47Å; V15-V39 HydrophobicContact CG2-CB 4.21Å; V15-V39 HydrophobicContact CG2-CG2 3.91Å; L18-V39 HydrophobicContact CD1-CG2 3.54Å; V35-V39 HydrophobicContact CG1-CG2 4.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.5Å; V35-V39 PolarHBondContact O-N 2.76Å; D36-V39 PolarHBondContact O-N 2.87Å; V39-K41 VanDerWaalsContact C-N 3.27Å; V39-K41 PolarHBondContact O-N 2.85Å; V39-L42 PolarHBondContact O-N 2.98Å; V39-K43 HydrophobicContact CG1-CD 4.19Å; V39-K43 HydrophobicContact CG1-CG 4.44Å; V39-K43 WeakPolarHBondContact O-CB 3.32Å; V39-K43 VanDerWaalsContact O-CG 3.29Å; V39-K43 WeakPolarHBondContact O-CG 3.39Å; V39-K43 PolarHBondContact O-N 2.94Å
40K93.6Very high94.6Very high124 Ų12461.3 Ų61.354%0.53929%0.286SS..Hα-helixtrans-60.7-32.7174.6-72.4168.3178.1163.90113.3D36 L38D36-K40 WeakPolarHBondContact O-CG 3.39Å; D36-K40 PolarHBondContact O-N 2.99Å; D36-K40 IonicContact OD1-NZ 3.87Å; D36-K40 VanDerWaalsContact OD2-CE 3.28Å; D36-K40 WeakPolarHBondContact OD2-CE 3.44Å; D36-K40 IonicContact OD2-NZ 2.64Å; D36-K40 PolarHBondContact OD2-NZ 2.87Å; L38-K40 PolarHBondContact O-N 2.81Å
41K93.9Very high94.7Very high77 Ų7761.9 Ų61.934%0.33529%0.291SS..Hα-helixtrans-78.7-46176.2-68.2171-177.2-76.50111.4A37 L38 V39 K43 K44 I68A37-K41 WeakPolarHBondContact O-CG 3.38Å; A37-K41 PolarHBondContact O-N 3.38Å; L38-K41 CarbonylContact O-C 3.58Å; L38-K41 WeakPolarHBondContact O-CA 3.47Å; L38-K41 WeakPolarHBondContact O-CB 3.2Å; L38-K41 PolarHBondContact O-N 2.95Å; V39-K41 VanDerWaalsContact C-N 3.27Å; V39-K41 PolarHBondContact O-N 2.85Å; K41-K43 VanDerWaalsContact C-N 3.32Å; K41-K43 PolarHBondContact O-N 3.23Å; K41-K44 WeakPolarHBondContact O-CB 3.42Å; K41-K44 PolarHBondContact O-N 2.74Å; K41-K44 VanDerWaalsContact O-N 3.12Å; K41-I68 HydrophobicContact CB-CG2 4.37Å; K41-I68 HydrophobicContact CD-CB 4.49Å; K41-I68 HydrophobicContact CD-CD1 4.43Å; K41-I68 HydrophobicContact CD-CG2 4.38Å
42L95.8Very high94.9Very high1 Ų161.8 Ų61.81%0.00529%0.29CS..Hα-helixtrans-66.6-31.6-178-63-176.7000112.7L38 V39 K44 K45 A48 L52 V66 I68L38-L42 HydrophobicContact CD1-CD1 4.1Å; L38-L42 HydrophobicContact CD1-CD2 4.18Å; L38-L42 HydrophobicContact CD1-CG 3.91Å; L38-L42 HydrophobicContact CD2-CD1 3.95Å; L38-L42 HydrophobicContact CG-CD1 3.72Å; L38-L42 HydrophobicContact CG-CG 3.91Å; L38-L42 PolarHBondContact O-N 3.21Å; V39-L42 PolarHBondContact O-N 2.98Å; L42-K44 PolarHBondContact O-N 3.3Å; L42-K45 CarbonylContact O-C 3.59Å; L42-K45 PolarHBondContact O-N 3.32Å; L42-A48 HydrophobicContact CD2-CB 4.06Å; L42-L52 HydrophobicContact CD1-CB 4.41Å; L42-L52 HydrophobicContact CD1-CD2 3.58Å; L42-V66 HydrophobicContact CD1-CG1 4.11Å; L42-V66 HydrophobicContact CD2-CG1 3.78Å; L42-I68 HydrophobicContact CD2-CG2 4.18Å
43K93.1Very high94.9Very high142 Ų14260.9 Ų60.962%0.61729%0.286SS*.THydrogen-bonded Turntrans-57.3-19.2172.7-79.5177.3177.3-178.40114.2V39 K41V39-K43 HydrophobicContact CG1-CD 4.19Å; V39-K43 HydrophobicContact CG1-CG 4.44Å; V39-K43 WeakPolarHBondContact O-CB 3.32Å; V39-K43 VanDerWaalsContact O-CG 3.29Å; V39-K43 WeakPolarHBondContact O-CG 3.39Å; V39-K43 PolarHBondContact O-N 2.94Å; K41-K43 VanDerWaalsContact C-N 3.32Å; K41-K43 PolarHBondContact O-N 3.23Å
44K92.1Very high95Very high189 Ų18961.5 Ų61.582%0.82229%0.289SS*.THydrogen-bonded Turntrans-83-14.2176-57.7-175.5179.2-172.60113.2K41 L42K41-K44 WeakPolarHBondContact O-CB 3.42Å; K41-K44 PolarHBondContact O-N 2.74Å; K41-K44 VanDerWaalsContact O-N 3.12Å; L42-K44 PolarHBondContact O-N 3.3Å
45K92.3Very high95Very high81 Ų8161.6 Ų61.635%0.35229%0.289SS..SBendtrans-117.9108.8-178.1-171.2170.7-177.1166.10109.3L42 G47 A48 T67 E120L42-K45 CarbonylContact O-C 3.59Å; L42-K45 PolarHBondContact O-N 3.32Å; K45-G47 PolarHBondContact O-N 3.34Å; K45-A48 HydrophobicContact CB-CB 3.9Å; K45-A48 HydrophobicContact CD-CB 4.18Å; K45-A48 HydrophobicContact CG-CB 3.96Å; K45-A48 WeakPolarHBondContact O-CB 3.41Å; K45-A48 PolarHBondContact O-N 3.36Å; K45-T67 PolarHBondContact NZ-OG1 3.39Å; K45-E120 IonicContact NZ-OE1 2.91Å; K45-E120 PolarHBondContact NZ-OE1 3.48Å; K45-E120 IonicContact NZ-OE2 3.85Å; K45-E120 PolarHBondContact NZ-OE2 3.35Å
46K92.5Very high95Very high218 Ų21861.8 Ų61.895%0.94829%0.29SS*.THydrogen-bonded Turntrans-56.5130.5-179-172.1179.3-179.8-178.20110.5A48K46-A48 VanDerWaalsContact C-N 3.28Å; K46-A48 PolarHBondContact O-N 2.95Å
47G93.9Very high95.1Very high26 Ų2662.3 Ų62.327%0.26830%0.298SS..THydrogen-bonded Turntrans84.7-15.7178.400000115.4K45 M49 E50 D51K45-G47 PolarHBondContact O-N 3.34Å; G47-M49 VanDerWaalsContact C-N 3.29Å; G47-M49 PolarHBondContact O-N 2.96Å; G47-E50 WeakPolarHBondContact CA-OE2 3.38Å; G47-E50 PolarHBondContact N-OE2 3.19Å; G47-E50 PolarHBondContact O-N 2.88Å; G47-D51 WeakPolarHBondContact O-CB 3.38Å; G47-D51 VanDerWaalsContact O-CG 3.28Å; G47-D51 PolarHBondContact O-N 3.48Å
48A95.7Very high95.1Very high5 Ų563 Ų634%0.04130%0.301CS..Hα-helixtrans-71.2-25.3-173.500000113.5L42 K45 K46 L52L42-A48 HydrophobicContact CD2-CB 4.06Å; K45-A48 HydrophobicContact CB-CB 3.9Å; K45-A48 HydrophobicContact CD-CB 4.18Å; K45-A48 HydrophobicContact CG-CB 3.96Å; K45-A48 WeakPolarHBondContact O-CB 3.41Å; K45-A48 PolarHBondContact O-N 3.36Å; K46-A48 VanDerWaalsContact C-N 3.28Å; K46-A48 PolarHBondContact O-N 2.95Å; A48-L52 WeakPolarHBondContact O-CB 3.5Å; A48-L52 PolarHBondContact O-N 3.22Å
49M96.2Very high94.7Very high31 Ų3166.9 Ų66.915%0.15333%0.326CS..Hα-helixtrans-75.5-44.7178-147.2-73.6-66.400109.8A14 G47 L52 E53A14-M49 HydrophobicContact CB-SD 4.47Å; G47-M49 VanDerWaalsContact C-N 3.29Å; G47-M49 PolarHBondContact O-N 2.96Å; M49-L52 PolarHBondContact O-N 3.46Å; M49-E53 WeakPolarHBondContact CE-OE1 3.34Å; M49-E53 WeakPolarHBondContact O-CG 3.32Å; M49-E53 PolarHBondContact O-N 3.2Å; M49-E53 HydrophobicContact SD-CG 3.97Å
50E95.7Very high94.1Very high112 Ų11270.4 Ų70.452%0.52336%0.363SS..Hα-helixtrans-64.3-41.7175.4-60.980.4-179.600111.7G47 L52 E53 K54G47-E50 WeakPolarHBondContact CA-OE2 3.38Å; G47-E50 PolarHBondContact N-OE2 3.19Å; G47-E50 PolarHBondContact O-N 2.88Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.12Å; E50-E53 PolarHBondContact O-N 3.26Å; E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.07Å
51D96.6Very high94Very high43 Ų4370.1 Ų70.123%0.2336%0.363CS..Hα-helixtrans-62.3-37.5175.3-75.4-29000111.6G47 A55 V66G47-D51 WeakPolarHBondContact O-CB 3.38Å; G47-D51 VanDerWaalsContact O-CG 3.28Å; G47-D51 PolarHBondContact O-N 3.48Å; D51-A55 WeakPolarHBondContact O-CB 3.5Å; D51-A55 PolarHBondContact O-N 3.45Å; D51-V66 HydrophobicContact CB-CG2 4.15Å
52L97.4Very high94Very high0 Ų072.6 Ų72.60%039%0.388CS..Hα-helixtrans-68.3-46.8175.2-178.460.9000112.1L18 L38 L42 A48 M49 E50 K54 A55 L56 V66 W93 I123L18-L52 HydrophobicContact CD1-CD2 4.15Å; L18-L52 HydrophobicContact CD2-CD2 3.87Å; L18-L52 HydrophobicContact CD2-CG 4.07Å; L38-L52 HydrophobicContact CD2-CD2 3.78Å; L42-L52 HydrophobicContact CD1-CB 4.41Å; L42-L52 HydrophobicContact CD1-CD2 3.58Å; A48-L52 WeakPolarHBondContact O-CB 3.5Å; A48-L52 PolarHBondContact O-N 3.22Å; M49-L52 PolarHBondContact O-N 3.46Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.12Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 3.38Å; L52-A55 PolarHBondContact O-N 2.89Å; L52-L56 HydrophobicContact CD1-CD1 4.12Å; L52-L56 HydrophobicContact CD1-CG 4.17Å; L52-L56 HydrophobicContact CG-CD1 4.05Å; L52-L56 HydrophobicContact CG-CG 4.47Å; L52-L56 WeakPolarHBondContact O-CG 3.11Å; L52-L56 PolarHBondContact O-N 3.06Å; L52-V66 HydrophobicContact CB-CG1 4.09Å; L52-V66 HydrophobicContact CB-CG2 3.94Å; L52-V66 HydrophobicContact CD1-CG1 4.45Å; L52-V66 HydrophobicContact CD1-CG2 4.3Å; L52-W93 HydrophobicContact CD1-CH2 4.44Å; L52-W93 HydrophobicContact CD1-CZ3 4.21Å; L52-W93 HydrophobicContact CD2-CH2 3.89Å; L52-W93 HydrophobicContact CD2-CZ2 4.48Å; L52-W93 HydrophobicContact CD2-CZ3 4.42Å; L52-I123 HydrophobicContact CD1-CD1 4.19Å; L52-I123 HydrophobicContact CD2-CD1 4.47Å
53E96.2Very high94Very high36 Ų3674 Ų7417%0.16840%0.398CS..Hα-helixtrans-61.4-38.9177-72-176.4174.100111.6R17 L18 W21 M49 E50 L56 S57R17-E53 WeakPolarHBondContact CD-OE1 3.32Å; R17-E53 IonicContact CZ-OE1 3.25Å; R17-E53 IonicContact NE-OE1 3.67Å; R17-E53 IonicContact NH1-OE1 3.84Å; R17-E53 PolarHBondContact NH1-OE1 2.99Å; R17-E53 IonicContact NH1-OE2 2.85Å; L18-E53 HydrophobicContact CD2-CG 4.12Å; W21-E53 HydrophobicContact CH2-CB 4.38Å; W21-E53 HydrophobicContact CH2-CG 4.28Å; W21-E53 HydrophobicContact CZ3-CG 4.31Å; M49-E53 WeakPolarHBondContact CE-OE1 3.34Å; M49-E53 WeakPolarHBondContact O-CG 3.32Å; M49-E53 PolarHBondContact O-N 3.2Å; M49-E53 HydrophobicContact SD-CG 3.97Å; E50-E53 PolarHBondContact O-N 3.26Å; E53-L56 PolarHBondContact O-N 3Å; E53-S57 VanDerWaalsContact O-CB 3.26Å; E53-S57 WeakPolarHBondContact O-CB 3.22Å; E53-S57 PolarHBondContact O-N 3.19Å; E53-S57 PolarHBondContact O-OG 3.25Å
54K95.8Very high94.1Very high124 Ų12474.1 Ų74.154%0.53940%0.398SS..Hα-helixtrans-63.4-45.1173.9-174.3176.8179.6-179.50111.5E50 L52 L56 S57 C58E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.07Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 3.38Å; K54-L56 PolarHBondContact O-N 2.98Å; K54-S57 WeakPolarHBondContact CA-OG 3.4Å; K54-S57 PolarHBondContact O-N 2.94Å; K54-S57 PolarHBondContact O-OG 3.41Å; K54-C58 PolarHBondContact O-N 2.89Å; K54-C58 VanDerWaalsContact O-N 3.07Å
55A96.8Very high94.4Very high1 Ų166.2 Ų66.21%0.00837%0.366CS..Hα-helixtrans-61.6-43.417800000112D51 L52 Y126D51-A55 WeakPolarHBondContact O-CB 3.5Å; D51-A55 PolarHBondContact O-N 3.45Å; L52-A55 PolarHBondContact O-N 2.89Å; A55-Y126 HydrophobicContact CB-CD2 4.36Å; A55-Y126 VanDerWaalsContact O-CD2 3.32Å; A55-Y126 WeakPolarHBondContact O-CD2 3.45Å; A55-Y126 WeakPolarHBondContact O-CE2 3.37Å
56L97Very high94.6Very high4 Ų462.4 Ų62.42%0.02135%0.35CS..Hα-helixtrans-71.7-34.5179.4-65.3175.6000113.6L18 W21 L52 E53 K54 W93 P125 Y126L18-L56 HydrophobicContact CD2-CD1 3.66Å; W21-L56 HydrophobicContact CB-CB 4.34Å; W21-L56 HydrophobicContact CB-CD1 4.44Å; W21-L56 HydrophobicContact CD2-CB 3.69Å; W21-L56 HydrophobicContact CD2-CD1 4.24Å; W21-L56 HydrophobicContact CE3-CB 3.91Å; W21-L56 HydrophobicContact CE3-CD1 3.72Å; W21-L56 HydrophobicContact CE3-CG 4.48Å; W21-L56 HydrophobicContact CG-CB 3.88Å; W21-L56 HydrophobicContact CZ3-CB 4.49Å; W21-L56 HydrophobicContact CZ3-CD1 4.35Å; L52-L56 HydrophobicContact CD1-CD1 4.12Å; L52-L56 HydrophobicContact CD1-CG 4.17Å; L52-L56 HydrophobicContact CG-CD1 4.05Å; L52-L56 HydrophobicContact CG-CG 4.47Å; L52-L56 WeakPolarHBondContact O-CG 3.11Å; L52-L56 PolarHBondContact O-N 3.06Å; E53-L56 PolarHBondContact O-N 3Å; K54-L56 PolarHBondContact O-N 2.98Å; L56-W93 HydrophobicContact CD1-CD2 4.08Å; L56-W93 HydrophobicContact CD1-CG 4.31Å; L56-W93 HydrophobicContact CD1-CZ2 4.17Å; L56-W93 HydrophobicContact CD2-CB 3.8Å; L56-W93 HydrophobicContact CD2-CD2 3.9Å; L56-W93 HydrophobicContact CD2-CE3 4.3Å; L56-W93 HydrophobicContact CD2-CG 3.65Å; L56-P125 HydrophobicContact CD2-CG 3.88Å; L56-Y126 HydrophobicContact CD2-CE2 4.16Å
57S96.3Very high94.9Very high64 Ų6452.2 Ų52.245%0.44831%0.306SS..Hα-helixtrans-80.7-18.3179.258.10000114.1E53 K54E53-S57 VanDerWaalsContact O-CB 3.26Å; E53-S57 WeakPolarHBondContact O-CB 3.22Å; E53-S57 PolarHBondContact O-N 3.19Å; E53-S57 PolarHBondContact O-OG 3.25Å; K54-S57 WeakPolarHBondContact CA-OG 3.4Å; K54-S57 PolarHBondContact O-N 2.94Å; K54-S57 PolarHBondContact O-OG 3.41Å
58C93.6Very high95Very high42 Ų4251.1 Ų51.128%0.28429%0.294SS..SBendtrans-126.370.1178-63.60000112.1K54 G60 Q61K54-C58 PolarHBondContact O-N 2.89Å; K54-C58 VanDerWaalsContact O-N 3.07Å; C58-G60 PolarHBondContact O-N 3.03Å; C58-Q61 HydrophobicContact CB-CB 4.24Å; C58-Q61 HydrophobicContact CB-CG 4.2Å; C58-Q61 PolarHBondContact O-N 3.05Å
59P89.7Confident95Very high82 Ų8255 Ų5553%0.53232%0.319SS..THydrogen-bonded Turntrans-55.2136.8178.2-23.333.4000112.1Q61 Y126P59-Q61 PolarHBondContact O-N 2.77Å; P59-Y126 HydrophobicContact CB-CE1 3.7Å; P59-Y126 HydrophobicContact CG-CE1 4.47Å; P59-Y126 WeakPolarHBondContact CG-OH 3.35Å
60G81.7Confident95Very high76 Ų7657.3 Ų57.378%0.78433%0.326SS*.THydrogen-bonded Turntrans80-7.1176.500000115.5C58C58-G60 PolarHBondContact O-N 3.03Å
61Q92.4Very high94.8Very high118 Ų11854.2 Ų54.255%0.55132%0.316SS*.SBendtrans-83.9149.5171.8-64.9-166.87.900111.9C58 P59 S63C58-Q61 HydrophobicContact CB-CB 4.24Å; C58-Q61 HydrophobicContact CB-CG 4.2Å; C58-Q61 PolarHBondContact O-N 3.05Å; P59-Q61 PolarHBondContact O-N 2.77Å; Q61-S63 PolarHBondContact O-N 2.64Å
62P93.3Very high94.5Very high130 Ų13061.4 Ų61.484%0.84435%0.354SS*.  trans-54127.5171.3-25.534.5000111.5
63S95.6Very high94Very high31 Ų3164.8 Ų64.822%0.21737%0.372CS..  trans-138.2157.6-178.954.70000110.6Q61 N124 H127Q61-S63 PolarHBondContact O-N 2.64Å; S63-N124 PolarHBondContact OG-ND2 3.4Å; S63-H127 PolarHBondContact O-CE1 3.33Å; S63-H127 PolarHBondContact O-NE2 2.86Å
64K96.4Very high93.7Very high143 Ų14363.3 Ų63.362%0.62237%0.366SS*.PPolyproline II helixtrans-75159.6178.5-66-179.7-177.4171.70111.5V66 N124 H127K64-V66 PolarHBondContact O-N 3.38Å; K64-N124 PolarHBondContact O-ND2 3.08Å; K64-H127 PolarHBondContact O-CE1 3Å
65C97.3Very high93.4Very high23 Ų2363.1 Ų63.116%0.15536%0.362CS..PPolyproline II helixtrans-65127.2169.4-68.30000109.6T67 E111 Y112 C122 H127C65-T67 HydrophobicContact CB-CG2 4.03Å; C65-E111 PolarHBondContact SG-N 2.91Å; C65-Y112 HydrophobicContact CB-CD2 3.81Å; C65-Y112 HydrophobicContact CB-CE2 4.44Å; C65-C122 HydrophobicContact CB-CB 4.44Å; C65-H127 VanDerWaalsContact CA-CE1 3.45Å; C65-H127 WeakPolarHBondContact CA-CE1 3.41Å; C65-H127 PolarHBondContact N-CE1 2.9Å; C65-H127 VanDerWaalsContact N-CE1 3.27Å; C65-H127 PolarHBondContact SG-CE1 2.86Å; C65-H127 PolarHBondContact SG-ND1 3.12Å
66V97.8Very high93.3Very high1 Ų164 Ų641%0.00637%0.367CS..PPolyproline II helixtrans-98.7117.4166.9-178.90000106.5L42 D51 L52 K64 C122 I123 N124L42-V66 HydrophobicContact CD1-CG1 4.11Å; L42-V66 HydrophobicContact CD2-CG1 3.78Å; D51-V66 HydrophobicContact CB-CG2 4.15Å; L52-V66 HydrophobicContact CB-CG1 4.09Å; L52-V66 HydrophobicContact CB-CG2 3.94Å; L52-V66 HydrophobicContact CD1-CG1 4.45Å; L52-V66 HydrophobicContact CD1-CG2 4.3Å; K64-V66 PolarHBondContact O-N 3.38Å; V66-C122 CarbonylContact O-C 3.6Å; V66-C122 WeakPolarHBondContact O-CA 3.35Å; V66-I123 HydrophobicContact CB-CD1 3.95Å; V66-I123 HydrophobicContact CG1-CD1 3.5Å; V66-I123 HydrophobicContact CG1-CG1 4.14Å; V66-I123 WeakPolarHBondContact O-CG1 3.05Å; V66-I123 PolarHBondContact O-N 2.83Å; V66-N124 HydrophobicContact CB-CB 4.21Å; V66-N124 HydrophobicContact CG2-CB 4.24Å
67T97.4Very high93Very high4 Ų469.4 Ų69.43%0.02539%0.392CS..EExtended strand (participates in β ladder)trans-119154.4-170.864.10000113.7K45 C65 Y112 E120 V121K45-T67 PolarHBondContact NZ-OG1 3.39Å; C65-T67 HydrophobicContact CB-CG2 4.03Å; T67-Y112 HydrophobicContact CG2-CD1 4.45Å; T67-Y112 HydrophobicContact CG2-CD2 3.71Å; T67-Y112 HydrophobicContact CG2-CE2 4.44Å; T67-Y112 HydrophobicContact CG2-CG 3.74Å; T67-E120 HydrophobicContact CG2-CB 4.36Å; T67-E120 PolarHBondContact OG1-OE1 3.09Å; T67-E120 PolarHBondContact OG1-OE2 2.9Å; T67-V121 CarbonylContact C-O 3.59Å; T67-V121 WeakPolarHBondContact CA-O 3.46Å
68I96.8Very high92.8Very high3 Ų366.6 Ų66.62%0.01537%0.372CS..EExtended strand (participates in β ladder)trans-128.3156.716766.8171.3000111L38 K41 L42 P85 Y89 E120 V121 I123L38-I68 HydrophobicContact CD1-CG2 3.57Å; K41-I68 HydrophobicContact CB-CG2 4.37Å; K41-I68 HydrophobicContact CD-CB 4.49Å; K41-I68 HydrophobicContact CD-CD1 4.43Å; K41-I68 HydrophobicContact CD-CG2 4.38Å; L42-I68 HydrophobicContact CD2-CG2 4.18Å; I68-P85 HydrophobicContact CD1-CB 3.68Å; I68-P85 HydrophobicContact CD1-CG 4.04Å; I68-P85 HydrophobicContact CG1-CB 4.36Å; I68-Y89 HydrophobicContact CD1-CE2 4.42Å; I68-E120 CarbonylContact O-C 3.57Å; I68-E120 WeakPolarHBondContact O-CA 3.42Å; I68-V121 PolarHBondContact N-O 2.81Å; I68-V121 PolarHBondContact O-N 2.98Å; I68-I123 HydrophobicContact CD1-CG2 4.11Å; I68-I123 HydrophobicContact CG1-CG2 3.97Å; I68-I123 HydrophobicContact CG2-CG1 4.27Å
69P95.7Very high92.4Very high87 Ų8766.7 Ų66.757%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-60.3137.4174-2434000112.5
70R94.9Very high92Very high79 Ų7970.8 Ų70.830%0.29839%0.385SS..PPolyproline II helixtrans-76132.1174.9-162.8169.8-159.3-126.76.7110.5Q118 K119 V121R70-Q118 WeakPolarHBondContact CD-O 3.31Å; R70-K119 WeakPolarHBondContact CB-O 3.27Å; R70-K119 PolarHBondContact N-O 3.47Å; R70-V121 HydrophobicContact CB-CG2 3.98Å; R70-V121 HydrophobicContact CG-CG2 3.87Å
71S93.2Very high92.2Very high47 Ų4773.1 Ų73.133%0.32937%0.37SS..PPolyproline II helixtrans-76.9164.1170.755.10000111.3D73 G74 R75S71-D73 VanDerWaalsContact C-N 3.28Å; S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD1 2.78Å; S71-G74 PolarHBondContact O-N 3.39Å; S71-G74 WeakPolarHBondContact OG-CA 3.39Å; S71-G74 PolarHBondContact OG-N 3.11Å; S71-R75 PolarHBondContact OG-N 3.04Å; S71-R75 PolarHBondContact OG-O 3.38Å
72L88.7Confident92.1Very high194 Ų19473.4 Ų73.4100%1.01637%0.369SS*.THydrogen-bonded Turntrans-57.1-39.7179.3-65.9175.1000112.8
73D86.9Confident92Very high72 Ų7268.2 Ų68.239%0.38534%0.339SS..THydrogen-bonded Turntrans-94.87.1176.677.6-20000113.1S71 R75 K82S71-D73 VanDerWaalsContact C-N 3.28Å; S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD1 2.78Å; D73-R75 PolarHBondContact O-N 2.87Å; D73-R75 VanDerWaalsContact O-N 3.09Å; D73-R75 PolarHBondContact OD1-N 3.05Å; D73-R75 VanDerWaalsContact OD1-N 3.1Å; D73-R75 IonicContact OD2-CZ 3.29Å; D73-R75 IonicContact OD2-NE 3.61Å; D73-R75 PolarHBondContact OD2-NE 3.44Å; D73-R75 IonicContact OD2-NH2 3.64Å; D73-R75 PolarHBondContact OD2-NH2 3.06Å; D73-K82 IonicContact OD2-NZ 3.37Å
74G89.6Confident92Very high5 Ų568.3 Ų68.35%0.05234%0.338CS..SBendtrans68.3-1.1-178.800000115.7S71 P85 F114S71-G74 PolarHBondContact O-N 3.39Å; S71-G74 WeakPolarHBondContact OG-CA 3.39Å; S71-G74 PolarHBondContact OG-N 3.11Å; G74-P85 WeakPolarHBondContact O-CD 3.4Å; G74-F114 WeakPolarHBondContact O-CE2 3.21Å
75R91.4Very high91.9Very high120 Ų12061.8 Ų61.845%0.45331%0.31SS..PPolyproline II helixtrans-102.7145.9-176.9-65.2179.5-64.3-166.2-5.5112.5S71 D73 K82 G83 L84S71-R75 PolarHBondContact OG-N 3.04Å; S71-R75 PolarHBondContact OG-O 3.38Å; D73-R75 PolarHBondContact O-N 2.87Å; D73-R75 VanDerWaalsContact O-N 3.09Å; D73-R75 PolarHBondContact OD1-N 3.05Å; D73-R75 VanDerWaalsContact OD1-N 3.1Å; D73-R75 IonicContact OD2-CZ 3.29Å; D73-R75 IonicContact OD2-NE 3.61Å; D73-R75 PolarHBondContact OD2-NE 3.44Å; D73-R75 IonicContact OD2-NH2 3.64Å; D73-R75 PolarHBondContact OD2-NH2 3.06Å; R75-K82 HydrophobicContact CB-CB 4.45Å; R75-G83 CarbonylContact C-O 3.5Å; R75-G83 WeakPolarHBondContact CA-O 3.36Å; R75-L84 HydrophobicContact CG-CD2 3.96Å
76L93.2Very high91.9Very high19 Ų1961 Ų6110%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-103135171.2-179.267.2000109.6V78 K82 G83 P85 I88 Y89L76-V78 HydrophobicContact CD2-CG2 4.17Å; L76-V78 HydrophobicContact CG-CG2 4.2Å; L76-K82 WeakPolarHBondContact O-CA 3.47Å; L76-G83 PolarHBondContact N-O 2.64Å; L76-G83 PolarHBondContact O-N 3.45Å; L76-P85 HydrophobicContact CB-CG 4.09Å; L76-I88 HydrophobicContact CB-CD1 4.04Å; L76-I88 HydrophobicContact CD2-CD1 4.18Å; L76-I88 HydrophobicContact CG-CD1 4.4Å; L76-Y89 HydrophobicContact CD2-CE2 3.98Å; L76-Y89 WeakPolarHBondContact CD2-OH 3.37Å
77Q92.1Very high91.8Very high117 Ų11761.8 Ų61.855%0.54731%0.309SS..EExtended strand (participates in β ladder)trans-97.5123.3175.1-173.2171.4-14.100110.5R81 K82Q77-R81 CarbonylContact C-O 3.58Å; Q77-R81 WeakPolarHBondContact CA-O 3.47Å; Q77-K82 HydrophobicContact CB-CG 4.19Å; Q77-K82 HydrophobicContact CG-CG 4.28Å
78V91.3Very high91.8Very high5 Ų562 Ų623%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-128.2117.2175.1-178.20000108.6K33 A34 L76 H80 R81 I88K33-V78 HydrophobicContact CB-CG1 4.04Å; A34-V78 HydrophobicContact CB-CG1 3.85Å; A34-V78 HydrophobicContact CB-CG2 4.24Å; L76-V78 HydrophobicContact CD2-CG2 4.17Å; L76-V78 HydrophobicContact CG-CG2 4.2Å; V78-H80 PolarHBondContact O-N 2.89Å; V78-R81 PolarHBondContact N-O 3.3Å; V78-R81 PolarHBondContact O-N 2.66Å; V78-I88 HydrophobicContact CG2-CD1 4.31Å
79S84.3Confident91.8Very high45 Ų4561.9 Ų61.932%0.31531%0.309SS..THydrogen-bonded Turntrans47.154.7175.9-163.30000113.4K33 R81K33-S79 WeakPolarHBondContact CD-OG 3.39Å; K33-S79 PolarHBondContact NZ-OG 2.94Å; S79-R81 PolarHBondContact O-N 3.29Å
80H82.8Confident91.9Very high168 Ų16857.8 Ų57.878%0.77828%0.282SS*.THydrogen-bonded Turntrans69.8-3.3-177.9-49.4-82.7000116.7V78V78-H80 PolarHBondContact O-N 2.89Å
81R85.4Confident91.9Very high125 Ų12557 Ų5747%0.47228%0.279SS..EExtended strand (participates in β ladder)trans-98.9131.8174.3-58.8-176.7-177.1176.4-1.1110.3E27 Q77 V78 S79E27-R81 IonicContact OE1-CZ 3.19Å; E27-R81 VanDerWaalsContact OE1-CZ 3.32Å; E27-R81 IonicContact OE1-NH1 3.99Å; E27-R81 PolarHBondContact OE1-NH1 3.34Å; E27-R81 IonicContact OE1-NH2 3.78Å; E27-R81 PolarHBondContact OE1-NH2 3.42Å; E27-R81 IonicContact OE2-NH1 2.98Å; Q77-R81 CarbonylContact C-O 3.58Å; Q77-R81 WeakPolarHBondContact CA-O 3.47Å; V78-R81 PolarHBondContact N-O 3.3Å; V78-R81 PolarHBondContact O-N 2.66Å; S79-R81 PolarHBondContact O-N 3.29Å
82K89.3Confident92.1Very high123 Ų12355 Ų5554%0.53527%0.265SS..EExtended strand (participates in β ladder)trans-97131.7170.9-71.1-170.6175.9-170.40109.2D73 R75 L76 Q77D73-K82 IonicContact OD2-NZ 3.37Å; R75-K82 HydrophobicContact CB-CB 4.45Å; L76-K82 WeakPolarHBondContact O-CA 3.47Å; Q77-K82 HydrophobicContact CB-CG 4.19Å; Q77-K82 HydrophobicContact CG-CG 4.28Å
83G91.7Very high92.4Very high21 Ų2145.9 Ų45.922%0.21622%0.217CC..EExtended strand (participates in β ladder)trans-150168.6177.100000111.6R75 L76R75-G83 CarbonylContact C-O 3.5Å; R75-G83 WeakPolarHBondContact CA-O 3.36Å; L76-G83 PolarHBondContact N-O 2.64Å; L76-G83 PolarHBondContact O-N 3.45Å
84L94.9Very high92.9Very high34 Ų3446 Ų4618%0.17821%0.212CC..  trans-78.8134.2177.8-65174.3000109.8R75 H86 V87 I88 H101 F114R75-L84 HydrophobicContact CG-CD2 3.96Å; L84-H86 PolarHBondContact O-N 2.7Å; L84-V87 HydrophobicContact CB-CB 4.21Å; L84-V87 HydrophobicContact CB-CG2 3.85Å; L84-V87 HydrophobicContact CD1-CG2 4.43Å; L84-V87 PolarHBondContact O-N 2.88Å; L84-V87 VanDerWaalsContact O-N 3.14Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.77Å; L84-H101 HydrophobicContact CD1-CB 3.65Å; L84-F114 HydrophobicContact CD1-CE1 4.3Å; L84-F114 HydrophobicContact CD2-CE1 4Å; L84-F114 HydrophobicContact CD2-CE2 3.86Å; L84-F114 HydrophobicContact CD2-CZ 3.4Å; L84-F114 VanDerWaalsContact CD2-CZ 3.4Å; L84-F114 HydrophobicContact CG-CZ 4.46Å
85P96.2Very high93.1Very high6 Ų647.6 Ų47.64%0.03922%0.216CC..Hα-helixtrans-54.9-49.1-173.4-26.731.2000114.3I68 G74 L76 V87 I88 Y89 V121 I123I68-P85 HydrophobicContact CD1-CB 3.68Å; I68-P85 HydrophobicContact CD1-CG 4.04Å; I68-P85 HydrophobicContact CG1-CB 4.36Å; G74-P85 WeakPolarHBondContact O-CD 3.4Å; L76-P85 HydrophobicContact CB-CG 4.09Å; P85-V87 VanDerWaalsContact C-N 3.31Å; P85-V87 PolarHBondContact O-N 2.84Å; P85-I88 PolarHBondContact O-N 2.78Å; P85-Y89 WeakPolarHBondContact O-CD2 3.32Å; P85-Y89 PolarHBondContact O-N 2.98Å; P85-V121 HydrophobicContact CB-CG1 4.45Å; P85-I123 HydrophobicContact CB-CG2 3.84Å
86H96.8Very high93.2Very high7 Ų744.3 Ų44.33%0.03221%0.211CC..Hα-helixtrans-62.7-37.7-179.664.1-74.1000111.9L84 C90 F114 Y128L84-H86 PolarHBondContact O-N 2.7Å; H86-C90 VanDerWaalsContact O-CB 3.23Å; H86-C90 WeakPolarHBondContact O-CB 3.28Å; H86-C90 PolarHBondContact O-N 3.48Å; H86-C90 PolarHBondContact O-SG 3.47Å; H86-F114 VanDerWaalsContact CE1-CB 3.41Å; H86-F114 WeakPolarHBondContact CE1-CB 3.4Å; H86-F114 AromaticContact CE1-CD1 3.49Å; H86-F114 VanDerWaalsContact CE1-CD1 3.49Å; H86-F114 WeakPolarHBondContact CE1-CD1 3.23Å; H86-F114 AromaticContact CE1-CD2 3.73Å; H86-F114 AromaticContact CE1-CG 3.22Å; H86-F114 WeakPolarHBondContact CE1-CG 3.43Å; H86-F114 WeakPolarHBondContact ND1-CB 3.34Å; H86-F114 AromaticContact ND1-CD2 3.54Å; H86-F114 AromaticContact ND1-CG 3.4Å; H86-F114 WeakPolarHBondContact ND1-CG 3.48Å; H86-Y128 HydrophobicContact CB-CE1 4.17Å; H86-Y128 HydrophobicContact CB-CE2 3.82Å; H86-Y128 WeakPolarHBondContact CB-OH 3.21Å; H86-Y128 AromaticContact CD2-CE1 3.94Å
87V96.3Very high93Very high17 Ų1747.5 Ų47.510%0.10323%0.228CC..Hα-helixtrans-65.5-48.3174.4-178.80000111L84 P85 Y89 C90 R91 L98 H101 L104L84-V87 HydrophobicContact CB-CB 4.21Å; L84-V87 HydrophobicContact CB-CG2 3.85Å; L84-V87 HydrophobicContact CD1-CG2 4.43Å; L84-V87 PolarHBondContact O-N 2.88Å; L84-V87 VanDerWaalsContact O-N 3.14Å; P85-V87 VanDerWaalsContact C-N 3.31Å; P85-V87 PolarHBondContact O-N 2.84Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 3.07Å; V87-C90 PolarHBondContact O-N 2.96Å; V87-R91 WeakPolarHBondContact O-CB 3.34Å; V87-R91 PolarHBondContact O-N 3.3Å; V87-L98 HydrophobicContact CG1-CD2 3.82Å; V87-L98 HydrophobicContact CG1-CG 4.24Å; V87-H101 HydrophobicContact CG2-CB 3.47Å; V87-H101 VanDerWaalsContact CG2-CB 3.47Å; V87-L104 HydrophobicContact CG2-CD1 4.29Å
88I96.1Very high93Very high9 Ų942 Ų425%0.04620%0.202CC..Hα-helixtrans-53.4-50.3179.5-72.4166.8000110.1W30 A34 L76 V78 L84 P85 R91 V92W30-I88 HydrophobicContact CH2-CB 4.4Å; W30-I88 HydrophobicContact CH2-CG1 4.42Å; W30-I88 HydrophobicContact CH2-CG2 3.79Å; W30-I88 HydrophobicContact CZ2-CG1 4.31Å; W30-I88 HydrophobicContact CZ2-CG2 4.11Å; A34-I88 HydrophobicContact CB-CG2 4.13Å; L76-I88 HydrophobicContact CB-CD1 4.04Å; L76-I88 HydrophobicContact CD2-CD1 4.18Å; L76-I88 HydrophobicContact CG-CD1 4.4Å; V78-I88 HydrophobicContact CG2-CD1 4.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.77Å; P85-I88 PolarHBondContact O-N 2.78Å; I88-R91 PolarHBondContact O-N 2.96Å; I88-V92 VanDerWaalsContact O-CG2 3.31Å; I88-V92 WeakPolarHBondContact O-CG2 3.19Å; I88-V92 PolarHBondContact O-N 3.27Å
89Y97.3Very high92.8Very high0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-80.8-31.5-173.4-67.2-56.6000113.4A34 L38 I68 L76 P85 V87 R91 V92 W93 I123A34-Y89 HydrophobicContact CB-CE1 4.44Å; A34-Y89 PolarHBondContact O-OH 3.43Å; A34-Y89 VanDerWaalsContact O-OH 3.04Å; L38-Y89 HydrophobicContact CB-CE1 3.74Å; L38-Y89 WeakPolarHBondContact CB-OH 3.43Å; L38-Y89 HydrophobicContact CD1-CE1 4.36Å; L38-Y89 HydrophobicContact CD1-CE2 3.88Å; L38-Y89 HydrophobicContact CD2-CD1 3.94Å; L38-Y89 HydrophobicContact CD2-CE1 3.71Å; L38-Y89 HydrophobicContact CD2-CE2 4.45Å; L38-Y89 HydrophobicContact CD2-CG 4.44Å; L38-Y89 HydrophobicContact CG-CE1 4.13Å; I68-Y89 HydrophobicContact CD1-CE2 4.42Å; L76-Y89 HydrophobicContact CD2-CE2 3.98Å; L76-Y89 WeakPolarHBondContact CD2-OH 3.37Å; P85-Y89 WeakPolarHBondContact O-CD2 3.32Å; P85-Y89 PolarHBondContact O-N 2.98Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 3.07Å; Y89-R91 VanDerWaalsContact C-N 3.28Å; Y89-R91 PolarHBondContact O-N 2.93Å; Y89-V92 PolarHBondContact O-N 3.43Å; Y89-W93 HydrophobicContact CD1-CE3 4.44Å; Y89-W93 AromaticContact CD1-CH2 3.73Å; Y89-W93 HydrophobicContact CD1-CH2 3.73Å; Y89-W93 AromaticContact CD1-CZ3 3.61Å; Y89-W93 HydrophobicContact CD1-CZ3 3.61Å; Y89-W93 HydrophobicContact CE1-CH2 4.44Å; Y89-W93 HydrophobicContact CG-CH2 4.37Å; Y89-W93 AromaticContact CG-CZ3 3.84Å; Y89-W93 HydrophobicContact CG-CZ3 3.84Å; Y89-W93 PolarHBondContact O-N 3.21Å; Y89-I123 HydrophobicContact CD2-CB 3.63Å; Y89-I123 HydrophobicContact CD2-CG1 4.2Å; Y89-I123 HydrophobicContact CD2-CG2 3.63Å; Y89-I123 HydrophobicContact CE2-CB 4.44Å; Y89-I123 HydrophobicContact CE2-CG2 4.17Å; Y89-I123 HydrophobicContact CG-CB 4.23Å
90C97.2Very high93Very high0 Ų043.6 Ų43.60%021%0.206CC..Hα-helixtrans-62.4-38.3166.8-69.40000111.6H86 V87 R94 W95 L98 L104H86-C90 VanDerWaalsContact O-CB 3.23Å; H86-C90 WeakPolarHBondContact O-CB 3.28Å; H86-C90 PolarHBondContact O-N 3.48Å; H86-C90 PolarHBondContact O-SG 3.47Å; V87-C90 PolarHBondContact O-N 2.96Å; C90-R94 WeakPolarHBondContact O-CA 3.2Å; C90-R94 PolarHBondContact O-N 3.46Å; C90-W95 HydrophobicContact CB-CE3 4.02Å; C90-W95 HydrophobicContact CB-CZ3 4.15Å; C90-W95 PolarHBondContact O-N 3.38Å; C90-L98 HydrophobicContact CB-CD2 3.9Å; C90-L104 HydrophobicContact CB-CD1 3.95Å
91R95.4Very high93.3Very high63 Ų6338.6 Ų38.624%0.23818%0.182CC..Hα-helixtrans-65.6-41.9177.5-172.5176.1179.6-156.8-17.4112.5E27 V87 I88 Y89 W95 P96 L98E27-R91 IonicContact OE2-CZ 3.57Å; E27-R91 IonicContact OE2-NH1 3.84Å; E27-R91 IonicContact OE2-NH2 3.19Å; E27-R91 PolarHBondContact OE2-NH2 2.99Å; V87-R91 WeakPolarHBondContact O-CB 3.34Å; V87-R91 PolarHBondContact O-N 3.3Å; I88-R91 PolarHBondContact O-N 2.96Å; Y89-R91 VanDerWaalsContact C-N 3.28Å; Y89-R91 PolarHBondContact O-N 2.93Å; R91-W95 VanDerWaalsContact CA-O 3.31Å; R91-W95 WeakPolarHBondContact CA-O 3.08Å; R91-W95 WeakPolarHBondContact CG-O 3.32Å; R91-W95 CarbonylContact O-C 3.49Å; R91-P96 PolarHBondContact NE-O 2.76Å; R91-P96 WeakPolarHBondContact O-CA 3.47Å; R91-L98 HydrophobicContact CB-CB 4.29Å; R91-L98 HydrophobicContact CB-CD2 4.39Å; R91-L98 WeakPolarHBondContact CD-O 3.26Å; R91-L98 HydrophobicContact CG-CB 4.37Å
92V96.3Very high93.6Very high5 Ų534.5 Ų34.53%0.0317%0.169CC..Hα-helixtrans-63.7-42.4178.4170.60000112K22 Q23 W30 A31 V35 I88 Y89K22-V92 CarbonylContact C-O 3.54Å; K22-V92 WeakPolarHBondContact CA-O 3.42Å; K22-V92 HydrophobicContact CG-CG1 4.19Å; K22-V92 WeakPolarHBondContact CG-O 3.36Å; Q23-V92 PolarHBondContact N-O 3.39Å; W30-V92 HydrophobicContact CH2-CG2 4.33Å; W30-V92 HydrophobicContact CZ3-CG2 3.76Å; A31-V92 HydrophobicContact CB-CG2 4.33Å; V35-V92 HydrophobicContact CG2-CG1 4.11Å; I88-V92 VanDerWaalsContact O-CG2 3.31Å; I88-V92 WeakPolarHBondContact O-CG2 3.19Å; I88-V92 PolarHBondContact O-N 3.27Å; Y89-V92 PolarHBondContact O-N 3.43Å
93W97.1Very high93.8Very high3 Ų329.2 Ų29.21%0.01115%0.146CC..Hα-helixtrans-111.2-8.6-168-67-57.9000116.6L18 Q23 V35 L38 L52 L56 Y89 P125L18-W93 HydrophobicContact CB-CZ2 4.34Å; L18-W93 PolarHBondContact O-NE1 2.94Å; Q23-W93 WeakPolarHBondContact CG-O 3.26Å; V35-W93 HydrophobicContact CG2-CZ2 3.98Å; L38-W93 HydrophobicContact CD2-CH2 3.46Å; L38-W93 VanDerWaalsContact CD2-CH2 3.46Å; L38-W93 HydrophobicContact CD2-CZ2 4.49Å; L38-W93 HydrophobicContact CD2-CZ3 4.13Å; L52-W93 HydrophobicContact CD1-CH2 4.44Å; L52-W93 HydrophobicContact CD1-CZ3 4.21Å; L52-W93 HydrophobicContact CD2-CH2 3.89Å; L52-W93 HydrophobicContact CD2-CZ2 4.48Å; L52-W93 HydrophobicContact CD2-CZ3 4.42Å; L56-W93 HydrophobicContact CD1-CD2 4.08Å; L56-W93 HydrophobicContact CD1-CG 4.31Å; L56-W93 HydrophobicContact CD1-CZ2 4.17Å; L56-W93 HydrophobicContact CD2-CB 3.8Å; L56-W93 HydrophobicContact CD2-CD2 3.9Å; L56-W93 HydrophobicContact CD2-CE3 4.3Å; L56-W93 HydrophobicContact CD2-CG 3.65Å; Y89-W93 HydrophobicContact CD1-CE3 4.44Å; Y89-W93 AromaticContact CD1-CH2 3.73Å; Y89-W93 HydrophobicContact CD1-CH2 3.73Å; Y89-W93 AromaticContact CD1-CZ3 3.61Å; Y89-W93 HydrophobicContact CD1-CZ3 3.61Å; Y89-W93 HydrophobicContact CE1-CH2 4.44Å; Y89-W93 HydrophobicContact CG-CH2 4.37Å; Y89-W93 AromaticContact CG-CZ3 3.84Å; Y89-W93 HydrophobicContact CG-CZ3 3.84Å; Y89-W93 PolarHBondContact O-N 3.21Å; W93-P125 HydrophobicContact CB-CG 4.13Å; W93-P125 HydrophobicContact CE3-CG 4.16Å
94R95.5Very high94Very high74 Ų7428.9 Ų28.928%0.27914%0.139SC..THydrogen-bonded Turntrans-134.8-51.1-178.4-67.5-171.970.2-169.40.6113.9C90 P125 Y126 Y128C90-R94 WeakPolarHBondContact O-CA 3.2Å; C90-R94 PolarHBondContact O-N 3.46Å; R94-P125 VanDerWaalsContact CD-O 3.26Å; R94-P125 WeakPolarHBondContact CD-O 3.16Å; R94-P125 HydrophobicContact CG-CB 3.9Å; R94-P125 HydrophobicContact CG-CG 4.41Å; R94-P125 PolarHBondContact NH1-O 3.28Å; R94-Y126 HydrophobicContact CG-CE1 4.42Å; R94-Y128 PolarHBondContact NH1-O 3.38Å
95W95.1Very high94.1Very high38 Ų3832.8 Ų32.814%0.14415%0.154CC..  trans-13084.6-169.3-58-60.4000110.9C90 R91 D97 L98 L104 R130C90-W95 HydrophobicContact CB-CE3 4.02Å; C90-W95 HydrophobicContact CB-CZ3 4.15Å; C90-W95 PolarHBondContact O-N 3.38Å; R91-W95 VanDerWaalsContact CA-O 3.31Å; R91-W95 WeakPolarHBondContact CA-O 3.08Å; R91-W95 WeakPolarHBondContact CG-O 3.32Å; R91-W95 CarbonylContact O-C 3.49Å; W95-D97 PolarHBondContact O-N 2.93Å; W95-D97 VanDerWaalsContact O-N 3.13Å; W95-L98 HydrophobicContact CB-CB 3.92Å; W95-L98 WeakPolarHBondContact O-CB 3.3Å; W95-L98 PolarHBondContact O-N 2.92Å; W95-L104 HydrophobicContact CE3-CD2 3.64Å; W95-L104 HydrophobicContact CH2-CD2 4.15Å; W95-L104 HydrophobicContact CZ3-CD2 3.28Å; W95-R130 HydrophobicContact CD2-CB 4.31Å; W95-R130 HydrophobicContact CH2-CB 4.07Å; W95-R130 HydrophobicContact CZ2-CB 3.64Å
96P92.6Very high94.1Very high51 Ų5135.5 Ų35.533%0.33117%0.172SC..THydrogen-bonded Turntrans-56.4-29.6-178-26.635.9000114.1Q23 R91 L98Q23-P96 VanDerWaalsContact C-CG 3.5Å; Q23-P96 HydrophobicContact CB-CG 3.43Å; Q23-P96 VanDerWaalsContact CB-CG 3.43Å; R91-P96 PolarHBondContact NE-O 2.76Å; R91-P96 WeakPolarHBondContact O-CA 3.47Å; P96-L98 VanDerWaalsContact C-N 3.34Å
97D89.5Confident94Very high86 Ų8638 Ų3846%0.4619%0.185SC..THydrogen-bonded Turntrans-82.3-7.1-179.866.1-47.1000113.7W95 Q99 R130W95-D97 PolarHBondContact O-N 2.93Å; W95-D97 VanDerWaalsContact O-N 3.13Å; D97-Q99 WeakPolarHBondContact O-CG 3.23Å; D97-Q99 PolarHBondContact O-N 3.33Å; D97-Q99 PolarHBondContact O-NE2 3.07Å; D97-R130 VanDerWaalsContact CG-NH1 3.27Å; D97-R130 IonicContact OD1-CZ 3.59Å; D97-R130 IonicContact OD1-NH1 3.48Å; D97-R130 PolarHBondContact OD1-NH1 3.22Å; D97-R130 IonicContact OD1-NH2 3.45Å; D97-R130 IonicContact OD2-CZ 2.86Å; D97-R130 IonicContact OD2-NH1 3.49Å; D97-R130 PolarHBondContact OD2-NH1 3.31Å; D97-R130 IonicContact OD2-NH2 2.74Å; D97-R130 PolarHBondContact OD2-NH2 3.43Å
98L91.5Very high93.9Very high1 Ų146.8 Ų46.81%0.00523%0.225CC..  trans-57.5119.9178.5-174.173000111.3V87 C90 R91 W95 P96 E103 L104V87-L98 HydrophobicContact CG1-CD2 3.82Å; V87-L98 HydrophobicContact CG1-CG 4.24Å; C90-L98 HydrophobicContact CB-CD2 3.9Å; R91-L98 HydrophobicContact CB-CB 4.29Å; R91-L98 HydrophobicContact CB-CD2 4.39Å; R91-L98 WeakPolarHBondContact CD-O 3.26Å; R91-L98 HydrophobicContact CG-CB 4.37Å; W95-L98 HydrophobicContact CB-CB 3.92Å; W95-L98 WeakPolarHBondContact O-CB 3.3Å; W95-L98 PolarHBondContact O-N 2.92Å; P96-L98 VanDerWaalsContact C-N 3.34Å; L98-E103 HydrophobicContact CD1-CB 3.56Å; L98-E103 HydrophobicContact CD1-CG 4.35Å; L98-L104 HydrophobicContact CD1-CD2 3.94Å; L98-L104 HydrophobicContact CD1-CG 4.08Å; L98-L104 HydrophobicContact CD2-CD1 3.83Å; L98-L104 HydrophobicContact CD2-CD2 4.09Å; L98-L104 HydrophobicContact CD2-CG 4.06Å
99Q86.8Confident93.9Very high76 Ų7651.1 Ų51.136%0.35525%0.252SS..  trans-103.5-36.1-177.2-60.5-58.1-39.700112.1D97 E103D97-Q99 WeakPolarHBondContact O-CG 3.23Å; D97-Q99 PolarHBondContact O-N 3.33Å; D97-Q99 PolarHBondContact O-NE2 3.07Å; Q99-E103 PolarHBondContact N-OE1 3.38Å
100S88.6Confident93.9Very high9 Ų951.7 Ų51.76%0.06326%0.255CS..  trans-133.7155.1-170.1-174.40000113.2H102 E103S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 PolarHBondContact OG-CD2 2.91Å; S100-H102 VanDerWaalsContact OG-CD2 3.26Å; S100-H102 PolarHBondContact OG-N 3.14Å; S100-E103 PolarHBondContact N-OE1 3.02Å; S100-E103 PolarHBondContact O-N 3.46Å
101H90.9Very high93.9Very high63 Ų6358 Ų5829%0.29229%0.285SS..G310 helixtrans-68.9-22.4171.776.7-71.7000113.4L84 V87 E103 L104L84-H101 HydrophobicContact CD1-CB 3.65Å; V87-H101 HydrophobicContact CG2-CB 3.47Å; V87-H101 VanDerWaalsContact CG2-CB 3.47Å; H101-E103 PolarHBondContact O-N 3.26Å; H101-L104 PolarHBondContact O-N 2.92Å
102H91.1Very high94Very high39 Ų3958.1 Ų58.118%0.18129%0.286CS..G310 helixtrans-63.9-25.1177.5-62.2-61.3000112.2S100 L104 Y347 V349 E356S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 PolarHBondContact OG-CD2 2.91Å; S100-H102 VanDerWaalsContact OG-CD2 3.26Å; S100-H102 PolarHBondContact OG-N 3.14Å; H102-L104 PolarHBondContact O-N 3.06Å; H102-Y347 HydrophobicContact CB-CD2 3.68Å; H102-Y347 HydrophobicContact CB-CE2 3.6Å; H102-Y347 HydrophobicContact CB-CG 4.45Å; H102-Y347 AromaticContact CD2-CD1 3.47Å; H102-Y347 VanDerWaalsContact CD2-CD1 3.47Å; H102-Y347 WeakPolarHBondContact CD2-CD1 3.03Å; H102-Y347 AromaticContact CD2-CD2 3.54Å; H102-Y347 AromaticContact CD2-CE1 3.39Å; H102-Y347 WeakPolarHBondContact CD2-CE1 3.3Å; H102-Y347 AromaticContact CD2-CE2 3.46Å; H102-Y347 VanDerWaalsContact CD2-CE2 3.46Å; H102-Y347 WeakPolarHBondContact CD2-CE2 3.41Å; H102-Y347 AromaticContact CD2-CG 3.55Å; H102-Y347 AromaticContact CD2-CZ 3.38Å; H102-Y347 AromaticContact CE1-CE1 3.74Å; H102-Y347 AromaticContact CE1-CZ 3.45Å; H102-Y347 VanDerWaalsContact CE1-CZ 3.45Å; H102-Y347 PolarHBondContact CE1-OH 2.9Å; H102-Y347 AromaticContact CG-CD2 3.65Å; H102-Y347 AromaticContact CG-CE2 3.3Å; H102-Y347 AromaticContact CG-CZ 3.52Å; H102-Y347 AromaticContact ND1-CE2 3.7Å; H102-Y347 AromaticContact ND1-CZ 3.55Å; H102-Y347 AromaticContact NE2-CD1 3.7Å; H102-Y347 AromaticContact NE2-CE1 3.23Å; H102-Y347 WeakPolarHBondContact NE2-CE1 3.29Å; H102-Y347 AromaticContact NE2-CE2 3.98Å; H102-Y347 AromaticContact NE2-CZ 3.39Å; H102-V349 HydrophobicContact CB-CG1 4.31Å; H102-V349 WeakPolarHBondContact O-CG2 3.38Å; H102-E356 IonicContact NE2-OE2 3.36Å
103E94.1Very high94Very high11 Ų1159 Ų595%0.05129%0.292CS..G310 helixtrans-73.6-4.6174-62176.7-9900113L98 Q99 S100 H101 R130 V131 V349L98-E103 HydrophobicContact CD1-CB 3.56Å; L98-E103 HydrophobicContact CD1-CG 4.35Å; Q99-E103 PolarHBondContact N-OE1 3.38Å; S100-E103 PolarHBondContact N-OE1 3.02Å; S100-E103 PolarHBondContact O-N 3.46Å; H101-E103 PolarHBondContact O-N 3.26Å; E103-R130 CarbonylContact O-C 3.48Å; E103-R130 VanDerWaalsContact O-CA 3.25Å; E103-R130 WeakPolarHBondContact O-CA 3.47Å; E103-R130 WeakPolarHBondContact O-CG 3.42Å; E103-R130 IonicContact OE2-CZ 3.83Å; E103-R130 IonicContact OE2-NE 3.73Å; E103-R130 PolarHBondContact OE2-NE 3.31Å; E103-R130 IonicContact OE2-NH2 2.68Å; E103-R130 PolarHBondContact OE2-NH2 2.68Å; E103-V131 PolarHBondContact O-N 2.57Å; E103-V349 HydrophobicContact CG-CG2 4.21Å
104L95.7Very high93.8Very high15 Ų1560.4 Ų60.48%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-114.2131.6179.9-62.3-176.2000111.5V87 C90 W95 L98 H101 H102 Y128V87-L104 HydrophobicContact CG2-CD1 4.29Å; C90-L104 HydrophobicContact CB-CD1 3.95Å; W95-L104 HydrophobicContact CE3-CD2 3.64Å; W95-L104 HydrophobicContact CH2-CD2 4.15Å; W95-L104 HydrophobicContact CZ3-CD2 3.28Å; L98-L104 HydrophobicContact CD1-CD2 3.94Å; L98-L104 HydrophobicContact CD1-CG 4.08Å; L98-L104 HydrophobicContact CD2-CD1 3.83Å; L98-L104 HydrophobicContact CD2-CD2 4.09Å; L98-L104 HydrophobicContact CD2-CG 4.06Å; H101-L104 PolarHBondContact O-N 2.92Å; H102-L104 PolarHBondContact O-N 3.06Å; L104-Y128 HydrophobicContact CB-CD1 4.35Å
105K95.2Very high93.6Very high116 Ų11659.9 Ų59.950%0.50432%0.316SS..EExtended strand (participates in β ladder)trans-114.1130.4165.8-74.7177.5-178.2176.60109.4Y128 K129 V131K105-Y128 CarbonylContact O-C 3.57Å; K105-Y128 WeakPolarHBondContact O-CA 2.89Å; K105-K129 HydrophobicContact CB-CG 4.08Å; K105-K129 PolarHBondContact N-O 3.06Å; K105-K129 PolarHBondContact O-N 3.11Å; K105-V131 HydrophobicContact CD-CG2 3.84Å; K105-V131 HydrophobicContact CG-CG2 3.72Å
106P96.6Very high93.5Very high63 Ų6360.5 Ų60.541%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-64.5147.5172.529.2-34000110.3C110 P113 H127 Y128P106-C110 HydrophobicContact CB-CB 4.5Å; P106-P113 HydrophobicContact CB-CB 3.5Å; P106-P113 HydrophobicContact CG-CB 3.86Å; P106-H127 WeakPolarHBondContact CA-O 3.31Å; P106-Y128 HydrophobicContact CB-CD1 4.25Å; P106-Y128 HydrophobicContact CB-CE1 4.17Å
107L95.9Very high93.3Very high58 Ų5865.9 Ų65.930%0.30434%0.344SS..  trans-78.3154.2167.9-61-177.9000110.1V109 C110 Y126 H127 K129L107-V109 HydrophobicContact CB-CG2 3.93Å; L107-V109 HydrophobicContact CD1-CG2 4.47Å; L107-V109 PolarHBondContact O-N 3.08Å; L107-C110 WeakPolarHBondContact O-CB 3.5Å; L107-C110 PolarHBondContact O-N 3.09Å; L107-Y126 WeakPolarHBondContact CD1-O 3.27Å; L107-H127 PolarHBondContact N-O 3.5Å; L107-K129 HydrophobicContact CD2-CB 3.98Å; L107-K129 HydrophobicContact CD2-CD 3.87Å; L107-K129 HydrophobicContact CD2-CG 3.92Å
108E94.4Very high93.5Very high203 Ų20365.4 Ų65.495%0.94934%0.339SS*.THydrogen-bonded Turntrans-60.2-28.7179.3-64.1-178.8177.700112.8C110E108-C110 PolarHBondContact O-N 3.09Å
109V95.1Very high93.7Very high100 Ų10074.6 Ų74.661%0.60638%0.379SS*.THydrogen-bonded Turntrans-71.4-8.8176.6-580000113.7L107 E111L107-V109 HydrophobicContact CB-CG2 3.93Å; L107-V109 HydrophobicContact CD1-CG2 4.47Å; L107-V109 PolarHBondContact O-N 3.08Å; V109-E111 PolarHBondContact O-N 2.83Å
110C96.7Very high94.2Very high11 Ų1173.6 Ų73.67%0.07437%0.374CS..  trans-82.1112.5-180-171.50000110P106 L107 E108 P113 H127P106-C110 HydrophobicContact CB-CB 4.5Å; L107-C110 WeakPolarHBondContact O-CB 3.5Å; L107-C110 PolarHBondContact O-N 3.09Å; E108-C110 PolarHBondContact O-N 3.09Å; C110-P113 WeakPolarHBondContact O-CD 3.41Å; C110-H127 HydrophobicContact CB-CB 4.04Å
111E97.1Very high94.6Very high133 Ų13373.2 Ų73.262%0.62137%0.372SS*.SBendtrans-77.7-24.2178-64.6176.2-177.200113C65 V109 P113 Q118C65-E111 PolarHBondContact SG-N 2.91Å; V109-E111 PolarHBondContact O-N 2.83Å; E111-P113 WeakPolarHBondContact O-CD 3.46Å; E111-Q118 PolarHBondContact O-NE2 2.87Å
112Y97.4Very high94.9Very high65 Ų6570.2 Ų70.226%0.25536%0.358SS..SBendtrans-123.549.4-175.2-56-90.6000113.1C65 T67 E120 C122C65-Y112 HydrophobicContact CB-CD2 3.81Å; C65-Y112 HydrophobicContact CB-CE2 4.44Å; T67-Y112 HydrophobicContact CG2-CD1 4.45Å; T67-Y112 HydrophobicContact CG2-CD2 3.71Å; T67-Y112 HydrophobicContact CG2-CE2 4.44Å; T67-Y112 HydrophobicContact CG2-CG 3.74Å; Y112-E120 HydrophobicContact CD1-CB 4Å; Y112-E120 HydrophobicContact CE1-CB 4.45Å; Y112-C122 VanDerWaalsContact O-CB 3.23Å; Y112-C122 WeakPolarHBondContact O-CB 3.31Å; Y112-C122 PolarHBondContact O-N 3.45Å
113P96.9Very high95.2Very high25 Ų2568.4 Ų68.416%0.16235%0.35CS..  trans-67.9147.2-179.331.5-34.7000109.7P106 C110 E111 G115 S116P106-P113 HydrophobicContact CB-CB 3.5Å; P106-P113 HydrophobicContact CG-CB 3.86Å; C110-P113 WeakPolarHBondContact O-CD 3.41Å; E111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-G115 PolarHBondContact O-N 2.88Å; P113-G115 VanDerWaalsContact O-N 3.09Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.49Å; P113-S116 PolarHBondContact O-OG 2.94Å
114F93.9Very high95.4Very high31 Ų3167.9 Ų67.914%0.13635%0.347CS..G310 helixtrans-54.1-36.6-175-179.2-97.1000114G74 L84 H86 S116 K117 V121G74-F114 WeakPolarHBondContact O-CE2 3.21Å; L84-F114 HydrophobicContact CD1-CE1 4.3Å; L84-F114 HydrophobicContact CD2-CE1 4Å; L84-F114 HydrophobicContact CD2-CE2 3.86Å; L84-F114 HydrophobicContact CD2-CZ 3.4Å; L84-F114 VanDerWaalsContact CD2-CZ 3.4Å; L84-F114 HydrophobicContact CG-CZ 4.46Å; H86-F114 VanDerWaalsContact CE1-CB 3.41Å; H86-F114 WeakPolarHBondContact CE1-CB 3.4Å; H86-F114 AromaticContact CE1-CD1 3.49Å; H86-F114 VanDerWaalsContact CE1-CD1 3.49Å; H86-F114 WeakPolarHBondContact CE1-CD1 3.23Å; H86-F114 AromaticContact CE1-CD2 3.73Å; H86-F114 AromaticContact CE1-CG 3.22Å; H86-F114 WeakPolarHBondContact CE1-CG 3.43Å; H86-F114 WeakPolarHBondContact ND1-CB 3.34Å; H86-F114 AromaticContact ND1-CD2 3.54Å; H86-F114 AromaticContact ND1-CG 3.4Å; H86-F114 WeakPolarHBondContact ND1-CG 3.48Å; F114-S116 VanDerWaalsContact C-N 3.26Å; F114-S116 PolarHBondContact O-N 3.09Å; F114-K117 PolarHBondContact O-N 3.38Å; F114-V121 HydrophobicContact CB-CG1 4.26Å; F114-V121 HydrophobicContact CD2-CG1 3.86Å; F114-V121 HydrophobicContact CD2-CG2 3.99Å
115G91.3Very high95.4Very high64 Ų6467.1 Ų67.166%0.6634%0.343SS*.G310 helixtrans-66.1-20.2179.700000114.8P113 K117P113-G115 PolarHBondContact O-N 2.88Å; P113-G115 VanDerWaalsContact O-N 3.09Å; G115-K117 PolarHBondContact O-N 3.23Å
116S92.7Very high95.5Very high50 Ų5063.6 Ų63.635%0.3533%0.327SS..G310 helixtrans-70.6-9.2-179.366.80000114.2P113 F114 Q118P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.49Å; P113-S116 PolarHBondContact O-OG 2.94Å; F114-S116 VanDerWaalsContact C-N 3.26Å; F114-S116 PolarHBondContact O-N 3.09Å; S116-Q118 PolarHBondContact O-N 3.43Å; S116-Q118 WeakPolarHBondContact OG-CG 3.35Å; S116-Q118 PolarHBondContact OG-NE2 3.25Å; S116-Q118 VanDerWaalsContact OG-NE2 3.16Å
117K89Confident95.6Very high165 Ų16560.8 Ų60.872%0.71731%0.309SS*.  trans55.222.5-179.4-58.2179.5-176.8176.60114.6F114 G115F114-K117 PolarHBondContact O-N 3.38Å; G115-K117 PolarHBondContact O-N 3.23Å
118Q93.8Very high95.6Very high76 Ų7658.3 Ų58.336%0.35530%0.295SS..  trans-67168.2175.4-67.9-177.75500112.7R70 E111 S116 E120R70-Q118 WeakPolarHBondContact CD-O 3.31Å; E111-Q118 PolarHBondContact O-NE2 2.87Å; S116-Q118 PolarHBondContact O-N 3.43Å; S116-Q118 WeakPolarHBondContact OG-CG 3.35Å; S116-Q118 PolarHBondContact OG-NE2 3.25Å; S116-Q118 VanDerWaalsContact OG-NE2 3.16Å; Q118-E120 PolarHBondContact O-N 3.18Å
119K95.4Very high95.7Very high193 Ų19354.1 Ų54.184%0.83927%0.274SS*.SBendtrans-66.6-25.3177.6-67.3-177.5-179.1176.80113.1R70R70-K119 WeakPolarHBondContact CB-O 3.27Å; R70-K119 PolarHBondContact N-O 3.47Å
120E96Very high95.6Very high55 Ų5552.3 Ų52.326%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-113151.5176.6-66.6-149.987.500110.4K45 T67 I68 Y112 Q118K45-E120 IonicContact NZ-OE1 2.91Å; K45-E120 PolarHBondContact NZ-OE1 3.48Å; K45-E120 IonicContact NZ-OE2 3.85Å; K45-E120 PolarHBondContact NZ-OE2 3.35Å; T67-E120 HydrophobicContact CG2-CB 4.36Å; T67-E120 PolarHBondContact OG1-OE1 3.09Å; T67-E120 PolarHBondContact OG1-OE2 2.9Å; I68-E120 CarbonylContact O-C 3.57Å; I68-E120 WeakPolarHBondContact O-CA 3.42Å; Y112-E120 HydrophobicContact CD1-CB 4Å; Y112-E120 HydrophobicContact CE1-CB 4.45Å; Q118-E120 PolarHBondContact O-N 3.18Å
121V97Very high95.4Very high2 Ų253.1 Ų53.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-126.9127.4178173.20000109T67 I68 R70 P85 F114T67-V121 CarbonylContact C-O 3.59Å; T67-V121 WeakPolarHBondContact CA-O 3.46Å; I68-V121 PolarHBondContact N-O 2.81Å; I68-V121 PolarHBondContact O-N 2.98Å; R70-V121 HydrophobicContact CB-CG2 3.98Å; R70-V121 HydrophobicContact CG-CG2 3.87Å; P85-V121 HydrophobicContact CB-CG1 4.45Å; F114-V121 HydrophobicContact CB-CG1 4.26Å; F114-V121 HydrophobicContact CD2-CG1 3.86Å; F114-V121 HydrophobicContact CD2-CG2 3.99Å
122C97.8Very high94.9Very high0 Ų054.7 Ų54.70%027%0.268CS..EExtended strand (participates in β ladder)trans-69.1129.4173-171.20000111C65 V66 Y112 H127 Y128C65-C122 HydrophobicContact CB-CB 4.44Å; V66-C122 CarbonylContact O-C 3.6Å; V66-C122 WeakPolarHBondContact O-CA 3.35Å; Y112-C122 VanDerWaalsContact O-CB 3.23Å; Y112-C122 WeakPolarHBondContact O-CB 3.31Å; Y112-C122 PolarHBondContact O-N 3.45Å; C122-H127 PolarHBondContact SG-ND1 3.2Å; C122-H127 VanDerWaalsContact SG-ND1 3.4Å; C122-Y128 WeakPolarHBondContact O-CE2 3.36Å; C122-Y128 PolarHBondContact O-OH 2.83Å
123I97.6Very high94.1Very high0 Ų054.1 Ų54.10%027%0.274CS..  trans-115.63.4175.862.775.4000112.7L38 L52 V66 I68 P85 Y89 P125L38-I123 HydrophobicContact CD1-CD1 4.18Å; L38-I123 HydrophobicContact CD1-CG1 4.14Å; L38-I123 HydrophobicContact CD2-CD1 3.96Å; L52-I123 HydrophobicContact CD1-CD1 4.19Å; L52-I123 HydrophobicContact CD2-CD1 4.47Å; V66-I123 HydrophobicContact CB-CD1 3.95Å; V66-I123 HydrophobicContact CG1-CD1 3.5Å; V66-I123 HydrophobicContact CG1-CG1 4.14Å; V66-I123 WeakPolarHBondContact O-CG1 3.05Å; V66-I123 PolarHBondContact O-N 2.83Å; I68-I123 HydrophobicContact CD1-CG2 4.11Å; I68-I123 HydrophobicContact CG1-CG2 3.97Å; I68-I123 HydrophobicContact CG2-CG1 4.27Å; P85-I123 HydrophobicContact CB-CG2 3.84Å; Y89-I123 HydrophobicContact CD2-CB 3.63Å; Y89-I123 HydrophobicContact CD2-CG1 4.2Å; Y89-I123 HydrophobicContact CD2-CG2 3.63Å; Y89-I123 HydrophobicContact CE2-CB 4.44Å; Y89-I123 HydrophobicContact CE2-CG2 4.17Å; Y89-I123 HydrophobicContact CG-CB 4.23Å; I123-P125 VanDerWaalsContact O-CD 3.32Å; I123-P125 WeakPolarHBondContact O-CD 3.29Å
124N97.5Very high93.5Very high0 Ų055.1 Ų55.10%028%0.28CS..  trans-63.2114.9173.7-179.7-15.7000108.7S63 K64 V66 Y126 H127 Y128S63-N124 PolarHBondContact OG-ND2 3.4Å; K64-N124 PolarHBondContact O-ND2 3.08Å; V66-N124 HydrophobicContact CB-CB 4.21Å; V66-N124 HydrophobicContact CG2-CB 4.24Å; N124-Y126 PolarHBondContact O-N 3.2Å; N124-Y126 PolarHBondContact OD1-N 2.95Å; N124-H127 HydrophobicContact CB-CB 4.29Å; N124-H127 PolarHBondContact ND2-CD2 3.22Å; N124-H127 PolarHBondContact ND2-NE2 3.47Å; N124-H127 WeakPolarHBondContact O-CB 3.42Å; N124-H127 PolarHBondContact O-N 2.87Å; N124-Y128 WeakPolarHBondContact O-CD2 2.81Å
125P96.9Very high93.1Very high0 Ų060.6 Ų60.60%032%0.316CS..G310 helixtrans-69.6-17.6-17332.3-38.9000112.8L56 W93 R94 I123 H127L56-P125 HydrophobicContact CD2-CG 3.88Å; W93-P125 HydrophobicContact CB-CG 4.13Å; W93-P125 HydrophobicContact CE3-CG 4.16Å; R94-P125 VanDerWaalsContact CD-O 3.26Å; R94-P125 WeakPolarHBondContact CD-O 3.16Å; R94-P125 HydrophobicContact CG-CB 3.9Å; R94-P125 HydrophobicContact CG-CG 4.41Å; R94-P125 PolarHBondContact NH1-O 3.28Å; I123-P125 VanDerWaalsContact O-CD 3.32Å; I123-P125 WeakPolarHBondContact O-CD 3.29Å; P125-H127 VanDerWaalsContact C-N 3.31Å
126Y97Very high93Very high42 Ų4258.6 Ų58.617%0.16529%0.29CS..G310 helixtrans-86.40.2174.8-59.9-73.8000113.7A55 L56 P59 R94 L107 N124 Y128A55-Y126 HydrophobicContact CB-CD2 4.36Å; A55-Y126 VanDerWaalsContact O-CD2 3.32Å; A55-Y126 WeakPolarHBondContact O-CD2 3.45Å; A55-Y126 WeakPolarHBondContact O-CE2 3.37Å; L56-Y126 HydrophobicContact CD2-CE2 4.16Å; P59-Y126 HydrophobicContact CB-CE1 3.7Å; P59-Y126 HydrophobicContact CG-CE1 4.47Å; P59-Y126 WeakPolarHBondContact CG-OH 3.35Å; R94-Y126 HydrophobicContact CG-CE1 4.42Å; L107-Y126 WeakPolarHBondContact CD1-O 3.27Å; N124-Y126 PolarHBondContact O-N 3.2Å; N124-Y126 PolarHBondContact OD1-N 2.95Å; Y126-Y128 VanDerWaalsContact C-N 3.28Å
127H97.5Very high92.7Very high4 Ų460.5 Ų60.52%0.01930%0.301CS..G310 helixtrans-925.7170.3-73.9-159.1000112.7S63 K64 C65 P106 L107 C110 C122 N124 P125S63-H127 PolarHBondContact O-CE1 3.33Å; S63-H127 PolarHBondContact O-NE2 2.86Å; K64-H127 PolarHBondContact O-CE1 3Å; C65-H127 VanDerWaalsContact CA-CE1 3.45Å; C65-H127 WeakPolarHBondContact CA-CE1 3.41Å; C65-H127 PolarHBondContact N-CE1 2.9Å; C65-H127 VanDerWaalsContact N-CE1 3.27Å; C65-H127 PolarHBondContact SG-CE1 2.86Å; C65-H127 PolarHBondContact SG-ND1 3.12Å; P106-H127 WeakPolarHBondContact CA-O 3.31Å; L107-H127 PolarHBondContact N-O 3.5Å; C110-H127 HydrophobicContact CB-CB 4.04Å; C122-H127 PolarHBondContact SG-ND1 3.2Å; C122-H127 VanDerWaalsContact SG-ND1 3.4Å; N124-H127 HydrophobicContact CB-CB 4.29Å; N124-H127 PolarHBondContact ND2-CD2 3.22Å; N124-H127 PolarHBondContact ND2-NE2 3.47Å; N124-H127 WeakPolarHBondContact O-CB 3.42Å; N124-H127 PolarHBondContact O-N 2.87Å; P125-H127 VanDerWaalsContact C-N 3.31Å
128Y97Very high92.7Very high5 Ų555.5 Ų55.52%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-126146.5174.9-60.1-89000109.1H86 R94 L104 K105 P106 C122 N124 Y126H86-Y128 HydrophobicContact CB-CE1 4.17Å; H86-Y128 HydrophobicContact CB-CE2 3.82Å; H86-Y128 WeakPolarHBondContact CB-OH 3.21Å; H86-Y128 AromaticContact CD2-CE1 3.94Å; R94-Y128 PolarHBondContact NH1-O 3.38Å; L104-Y128 HydrophobicContact CB-CD1 4.35Å; K105-Y128 CarbonylContact O-C 3.57Å; K105-Y128 WeakPolarHBondContact O-CA 2.89Å; P106-Y128 HydrophobicContact CB-CD1 4.25Å; P106-Y128 HydrophobicContact CB-CE1 4.17Å; C122-Y128 WeakPolarHBondContact O-CE2 3.36Å; C122-Y128 PolarHBondContact O-OH 2.83Å; N124-Y128 WeakPolarHBondContact O-CD2 2.81Å; Y126-Y128 VanDerWaalsContact C-N 3.28Å
129K95.3Very high92.6Very high115 Ų11552 Ų5250%0.527%0.269SS..EExtended strand (participates in β ladder)trans-113.2148.1165.161.4-180177.6-178.50109.1K105 L107K105-K129 HydrophobicContact CB-CG 4.08Å; K105-K129 PolarHBondContact N-O 3.06Å; K105-K129 PolarHBondContact O-N 3.11Å; L107-K129 HydrophobicContact CD2-CB 3.98Å; L107-K129 HydrophobicContact CD2-CD 3.87Å; L107-K129 HydrophobicContact CD2-CG 3.92Å
130R94.4Very high92.3Very high62 Ų6247.2 Ų47.223%0.23425%0.252CS..EExtended strand (participates in β ladder)trans-73.3145.5171.7-160.6170.9-173.5173.60.2108.8W95 D97 E103 E132W95-R130 HydrophobicContact CD2-CB 4.31Å; W95-R130 HydrophobicContact CH2-CB 4.07Å; W95-R130 HydrophobicContact CZ2-CB 3.64Å; D97-R130 VanDerWaalsContact CG-NH1 3.27Å; D97-R130 IonicContact OD1-CZ 3.59Å; D97-R130 IonicContact OD1-NH1 3.48Å; D97-R130 PolarHBondContact OD1-NH1 3.22Å; D97-R130 IonicContact OD1-NH2 3.45Å; D97-R130 IonicContact OD2-CZ 2.86Å; D97-R130 IonicContact OD2-NH1 3.49Å; D97-R130 PolarHBondContact OD2-NH1 3.31Å; D97-R130 IonicContact OD2-NH2 2.74Å; D97-R130 PolarHBondContact OD2-NH2 3.43Å; E103-R130 CarbonylContact O-C 3.48Å; E103-R130 VanDerWaalsContact O-CA 3.25Å; E103-R130 WeakPolarHBondContact O-CA 3.47Å; E103-R130 WeakPolarHBondContact O-CG 3.42Å; E103-R130 IonicContact OE2-CZ 3.83Å; E103-R130 IonicContact OE2-NE 3.73Å; E103-R130 PolarHBondContact OE2-NE 3.31Å; E103-R130 IonicContact OE2-NH2 2.68Å; E103-R130 PolarHBondContact OE2-NH2 2.68Å; R130-E132 PolarHBondContact O-N 2.82Å
131V92.8Very high91.7Very high29 Ų2944.8 Ų44.818%0.17624%0.241CC..PPolyproline II helixtrans-76.6118.9169-176.40000107.5E103 K105 V349E103-V131 PolarHBondContact O-N 2.57Å; K105-V131 HydrophobicContact CD-CG2 3.84Å; K105-V131 HydrophobicContact CG-CG2 3.72Å; V131-V349 HydrophobicContact CB-CG2 3.67Å; V131-V349 HydrophobicContact CG1-CG2 3.79Å; V131-V349 HydrophobicContact CG2-CG2 4.18Å
132E85.4Confident91Very high166 Ų16646.5 Ų46.578%0.77625%0.252SS*.PPolyproline II helixtrans-93.8144.6177.1-67.6173.5177.900109.9R130R130-E132 PolarHBondContact O-N 2.82Å
133S81.9Confident89.5Confident53 Ų5352.7 Ų52.737%0.37128%0.276SS..PPolyproline II helixtrans-71.4128.8170.1-68.10000109.1E277 G351S133-E277 PolarHBondContact OG-OE1 2.95Å; S133-G351 PolarHBondContact OG-N 2.62Å
134P82.6Confident87.8Confident46 Ų4660 Ų6030%0.29931%0.31SS..PPolyproline II helixtrans-65.3141.6174.628.2-32.9000109.8L136 G350 Q396P134-L136 PolarHBondContact O-N 2.8Å; P134-G350 WeakPolarHBondContact CD-O 3.45Å; P134-Q396 HydrophobicContact CG-CG 3.99Å
135V85.8Confident85.7Confident146 Ų14662.1 Ų62.189%0.88532%0.324SS*.PPolyproline II helixtrans-67.3123.3170.3-177.50000108.2
136L89.1Confident83.7Confident21 Ų2171.9 Ų71.911%0.1137%0.37CS..PPolyproline II helixtrans-88.4137.6179.9-58.4175.3000109.8P134 Y275 N395 Q396 W456P134-L136 PolarHBondContact O-N 2.8Å; L136-Y275 HydrophobicContact CD1-CD1 3.87Å; L136-Y275 HydrophobicContact CD1-CD2 4.27Å; L136-Y275 HydrophobicContact CD1-CE1 4.2Å; L136-Y275 HydrophobicContact CD1-CG 3.89Å; L136-N395 HydrophobicContact CD1-CB 3.82Å; L136-Q396 HydrophobicContact CD2-CB 4.29Å; L136-Q396 HydrophobicContact CD2-CG 3.61Å; L136-W456 HydrophobicContact CB-CH2 3.71Å; L136-W456 HydrophobicContact CB-CZ3 4.12Å; L136-W456 HydrophobicContact CD1-CH2 4.11Å; L136-W456 HydrophobicContact CD1-CZ3 3.61Å; L136-W456 HydrophobicContact CG-CZ3 4.46Å
137P87.8Confident81.7Confident90 Ų9072.8 Ų72.858%0.58438%0.375SS*.PPolyproline II helixtrans-67.1147177.828.8-34.3000110.7W456P137-W456 VanDerWaalsContact O-CZ2 3.32Å; P137-W456 WeakPolarHBondContact O-CZ2 3.35Å
138P88.9Confident79.5Confident60 Ų6077.3 Ų77.339%0.3940%0.399SS..PPolyproline II helixtrans-64.3144.2176.126.8-33.6000111.2P272 V273 E274P138-P272 HydrophobicContact CB-CB 3.99Å; P138-P272 HydrophobicContact CG-CB 4.44Å; P138-V273 WeakPolarHBondContact CA-O 3.25Å; P138-E274 HydrophobicContact CB-CG 4.21Å
139V90.4Very high77.3Confident2 Ų282.5 Ų82.51%0.01243%0.433CS..EExtended strand (participates in β ladder)trans-82.1129.41721720000108.7V141 P272 V273 L402 A403 V406 W456 V460V139-V141 HydrophobicContact CG1-CG2 4.47Å; V139-P272 CarbonylContact O-C 3.57Å; V139-V273 PolarHBondContact N-O 2.79Å; V139-V273 PolarHBondContact O-N 3.48Å; V139-L402 HydrophobicContact CG1-CG 4.33Å; V139-L402 HydrophobicContact CG2-CB 4.39Å; V139-L402 HydrophobicContact CG2-CD2 3.91Å; V139-L402 HydrophobicContact CG2-CG 3.88Å; V139-A403 HydrophobicContact CG2-CB 4.35Å; V139-V406 HydrophobicContact CG1-CG2 3.71Å; V139-W456 HydrophobicContact CG2-CH2 4.4Å; V139-W456 HydrophobicContact CG2-CZ2 3.62Å; V139-V460 HydrophobicContact CB-CG2 4.06Å; V139-V460 HydrophobicContact CG1-CG1 4.46Å; V139-V460 HydrophobicContact CG1-CG2 3.79Å
140L88.6Confident75Confident94 Ų9484.8 Ų84.849%0.49245%0.446SS..EExtended strand (participates in β ladder)trans-95.4114.1-176.7-71.7-169000110.4V270 P272L140-V270 HydrophobicContact CB-CG1 3.5Å; L140-V270 VanDerWaalsContact CB-CG1 3.5Å; L140-V270 HydrophobicContact CD1-CG1 4.28Å; L140-V270 HydrophobicContact CD2-CG1 3.95Å; L140-V270 HydrophobicContact CG-CG1 4.09Å; L140-P272 HydrophobicContact CD2-CB 4.07Å
141V85.3Confident72.8Confident4 Ų488.8 Ų88.82%0.02447%0.467CS..EExtended strand (participates in β ladder)trans-102.8117179.8-173.20000110.5V139 V270 Q271 V273 V406 V460 Q463 M464V139-V141 HydrophobicContact CG1-CG2 4.47Å; V141-V270 WeakPolarHBondContact O-CA 3.16Å; V141-Q271 PolarHBondContact N-O 3.22Å; V141-Q271 PolarHBondContact O-N 3.42Å; V141-V273 HydrophobicContact CG2-CG2 3.9Å; V141-V406 HydrophobicContact CG1-CG1 4.48Å; V141-V460 HydrophobicContact CG2-CG1 3.95Å; V141-V460 HydrophobicContact CG2-CG2 4.41Å; V141-Q463 HydrophobicContact CB-CB 4.34Å; V141-Q463 HydrophobicContact CG1-CB 4Å; V141-Q463 HydrophobicContact CG2-CB 4.44Å; V141-M464 HydrophobicContact CG1-CG 3.72Å
142P80.9Confident70.7Confident38 Ų3888.1 Ų88.125%0.24746%0.464CS..EExtended strand (participates in β ladder)trans-71.5134.4176-12.225.8000111.5S145 V406P142-S145 WeakPolarHBondContact CB-OG 3.42Å; P142-V406 VanDerWaalsContact CD-CG1 3.48Å
143R67.4Low69Low129 Ų12981.3 Ų81.349%0.48743%0.433SS..SBendtrans-72.6-25.7-178.5-73.5-178.5169.6155.7-3.1114.6R268 D269 Q271R143-R268 PolarHBondContact NH1-O 2.97Å; R143-D269 PolarHBondContact N-O 3.07Å; R143-Q271 HydrophobicContact CG-CG 4.4Å
144H60.5Low67.5Low155 Ų15580.6 Ų80.672%0.71842%0.424SS*.SBendtrans-137.898.6-177.9-55.798.7000108.5D269H144-D269 IonicContact ND1-OD1 3.7Å
145S55.2Low65.8Low43 Ų4382 Ų8230%0.30143%0.431SS..  trans-114.9105.5175.7-58.80000109.3P142 F147P142-S145 WeakPolarHBondContact CB-OG 3.42Å; S145-F147 VanDerWaalsContact CB-CE2 3.46Å; S145-F147 WeakPolarHBondContact O-CD2 3.47Å; S145-F147 PolarHBondContact O-N 3.12Å
146E53.4Low64.2Low205 Ų20581.2 Ų81.296%0.95842%0.419SS*.  trans-67.286.9148.7-69-174.3168.900106N148E146-N148 PolarHBondContact O-N 3.41Å
147F55.4Low62.3Low62 Ų6283.2 Ų83.227%0.27243%0.426SS..  trans-62121.7-177.2-74.1-75.3000109.7S145 P149 V406 G409 M464S145-F147 VanDerWaalsContact CB-CE2 3.46Å; S145-F147 WeakPolarHBondContact O-CD2 3.47Å; S145-F147 PolarHBondContact O-N 3.12Å; F147-P149 WeakPolarHBondContact O-CD 3.24Å; F147-V406 WeakPolarHBondContact CE1-O 3.34Å; F147-G409 VanDerWaalsContact CE1-CA 3.42Å; F147-M464 HydrophobicContact CE1-CE 4.24Å; F147-M464 HydrophobicContact CZ-CE 3.79Å
148N50.8Low60.3Low99 Ų9986.4 Ų86.453%0.52943%0.427SS..  trans-75.3109.8172.8-170.7-13.2000109.2E146 Q150E146-N148 PolarHBondContact O-N 3.41Å; N148-Q150 PolarHBondContact O-N 3.29Å; N148-Q150 VanDerWaalsContact O-N 3.09Å; N148-Q150 PolarHBondContact OD1-N 3.33Å
149P51.7Low58Low114 Ų11488.6 Ų88.674%0.7444%0.435SS*.G310 helixtrans-67.6-13.6-173.7-15.630.5000113.4F147 H151F147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-H151 PolarHBondContact O-N 3.43Å
150Q46.5Very low55.9Low163 Ų16391.7 Ų91.776%0.76245%0.451SS*.G310 helixtrans-82.1-8.5-169.9-63-172.1-16.700114.6N148N148-Q150 PolarHBondContact O-N 3.29Å; N148-Q150 VanDerWaalsContact O-N 3.09Å; N148-Q150 PolarHBondContact OD1-N 3.33Å
151H47.3Very low53.8Low145 Ų14591.1 Ų91.167%0.67145%0.452SS*.G310 helixtrans-117.715-175.5-89.2-85.7000115P149 L153 H408P149-H151 PolarHBondContact O-N 3.43Å; H151-L153 PolarHBondContact O-N 2.84Å; H151-H408 PolarHBondContact O-CD2 3.05Å; H151-H408 PolarHBondContact O-NE2 2.86Å
152S48.7Very low51.9Low16 Ų1697.7 Ų97.711%0.11248%0.482CS..  trans-57.3132.2-175.9-166.80000112.9L154 V155S152-L154 PolarHBondContact O-N 3.38Å; S152-L154 WeakPolarHBondContact OG-CB 3.25Å; S152-L154 WeakPolarHBondContact OG-CD1 3.33Å; S152-L154 WeakPolarHBondContact OG-CG 3.3Å; S152-L154 PolarHBondContact OG-N 3.22Å; S152-L154 VanDerWaalsContact OG-N 3.14Å; S152-V155 WeakPolarHBondContact O-CB 3.37Å; S152-V155 WeakPolarHBondContact O-CG2 3.49Å; S152-V155 PolarHBondContact O-N 2.88Å
153L51Low50.2Low23 Ų23103.6 Ų103.612%0.1251%0.512CS..THydrogen-bonded Turntrans-56.4-14.5162.9-77172.9000112.3H151 V155 Q156 F157 Q404 H408H151-L153 PolarHBondContact O-N 2.84Å; L153-V155 PolarHBondContact O-N 2.77Å; L153-V155 VanDerWaalsContact O-N 3.15Å; L153-Q156 PolarHBondContact O-N 3.01Å; L153-F157 WeakPolarHBondContact O-CD2 3.48Å; L153-F157 PolarHBondContact O-N 2.98Å; L153-Q404 HydrophobicContact CD1-CB 3.98Å; L153-H408 VanDerWaalsContact CG-CE1 3.49Å; L153-H408 WeakPolarHBondContact CG-CE1 3.42Å; L153-H408 PolarHBondContact N-CD2 3.01Å
154L50.7Low49.4Very low38 Ų38102.9 Ų102.920%0.19951%0.514CS..Hα-helixtrans-49.3-33.9162.6-73.1169.8000110.8S152 Q156 F157 R158S152-L154 PolarHBondContact O-N 3.38Å; S152-L154 WeakPolarHBondContact OG-CB 3.25Å; S152-L154 WeakPolarHBondContact OG-CD1 3.33Å; S152-L154 WeakPolarHBondContact OG-CG 3.3Å; S152-L154 PolarHBondContact OG-N 3.22Å; S152-L154 VanDerWaalsContact OG-N 3.14Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 2.82Å; L154-F157 CarbonylContact O-C 3.56Å; L154-F157 PolarHBondContact O-N 2.9Å; L154-R158 VanDerWaalsContact O-CA 3.3Å; L154-R158 WeakPolarHBondContact O-CA 3.41Å; L154-R158 WeakPolarHBondContact O-CB 3.42Å; L154-R158 PolarHBondContact O-N 3.22Å
155V46.8Very low49Very low74 Ų7499.7 Ų99.745%0.44851%0.507SS..Hα-helixtrans-64.7-34.6176.7178.60000111.9S152 L153 N159S152-V155 WeakPolarHBondContact O-CB 3.37Å; S152-V155 WeakPolarHBondContact O-CG2 3.49Å; S152-V155 PolarHBondContact O-N 2.88Å; L153-V155 PolarHBondContact O-N 2.77Å; L153-V155 VanDerWaalsContact O-N 3.15Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.46Å; V155-N159 WeakPolarHBondContact O-CA 3.08Å; V155-N159 WeakPolarHBondContact O-CB 3.49Å; V155-N159 PolarHBondContact O-N 3.26Å; V155-N159 PolarHBondContact O-ND2 2.98Å
156Q52.4Low49.3Very low131 Ų131107.5 Ų107.561%0.61254%0.538SS*.Hα-helixtrans-75.1-38.5172.3-82.4177.6-17.700112.4L153 L154L153-Q156 PolarHBondContact O-N 3.01Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 2.82Å
157F48.7Very low49.9Very low63 Ų6399.7 Ų99.728%0.27650%0.502SS..Hα-helixtrans-74.7-21.2175.7-77.3-77000114L153 L154 P378L153-F157 WeakPolarHBondContact O-CD2 3.48Å; L153-F157 PolarHBondContact O-N 2.98Å; L154-F157 CarbonylContact O-C 3.56Å; L154-F157 PolarHBondContact O-N 2.9Å; F157-P378 HydrophobicContact CD1-CG 4.07Å; F157-P378 HydrophobicContact CE1-CG 4.22Å
158R45.1Very low51Low156 Ų15697.3 Ų97.359%0.58949%0.493SS*.Hα-helixtrans-106.8-25.9-176.5-160.2-179-166.2171.55.7112.3L154 L160 T161 H162L154-R158 VanDerWaalsContact O-CA 3.3Å; L154-R158 WeakPolarHBondContact O-CA 3.41Å; L154-R158 WeakPolarHBondContact O-CB 3.42Å; L154-R158 PolarHBondContact O-N 3.22Å; R158-L160 PolarHBondContact O-N 3.23Å; R158-T161 PolarHBondContact O-N 3.04Å; R158-T161 PolarHBondContact O-OG1 2.9Å; R158-H162 PolarHBondContact O-N 2.9Å
159N41.4Very low52.6Low107 Ų10798.6 Ų98.657%0.57250%0.499SS*.Hα-helixtrans-69.7-23.6170.3-77.1-12.9000112.2V155 T161V155-N159 WeakPolarHBondContact CG1-ND2 3.46Å; V155-N159 WeakPolarHBondContact O-CA 3.08Å; V155-N159 WeakPolarHBondContact O-CB 3.49Å; V155-N159 PolarHBondContact O-N 3.26Å; V155-N159 PolarHBondContact O-ND2 2.98Å; N159-T161 PolarHBondContact O-N 2.96Å
160L46Very low54.4Low67 Ų6793.9 Ų93.935%0.35147%0.467SS..THydrogen-bonded Turntrans-67.3-13.8166.2-77.1168.3000113R158 E164R158-L160 PolarHBondContact O-N 3.23Å; L160-E164 WeakPolarHBondContact O-CB 3.17Å
161T44Very low56.4Low82 Ų8286.2 Ų86.250%0.50343%0.432SS..THydrogen-bonded Turntrans-106.3-5.2-178.168.30000114R158 N159R158-T161 PolarHBondContact O-N 3.04Å; R158-T161 PolarHBondContact O-OG1 2.9Å; N159-T161 PolarHBondContact O-N 2.96Å
162H45.4Very low58.4Low142 Ų14281 Ų8166%0.65741%0.411SS*.SBendtrans-100.5-4.4-175-90.321.9000115.6R158R158-H162 PolarHBondContact O-N 2.9Å
163N45.8Very low60.2Low162 Ų16282.6 Ų82.687%0.86642%0.415SS*.SBendtrans-15212.7173.1-108.7-3.5000115.6
164E50.8Low61.9Low113 Ų11384.3 Ų84.353%0.52843%0.428SS..SBendtrans-104.1154.9-179.3-80.5-81.1111.900111.2L160L160-E164 WeakPolarHBondContact O-CB 3.17Å
165P52.1Low63.6Low89 Ų8989.2 Ų89.258%0.57845%0.454SS*.  trans-50.7145.3172.821.4-32.4000111.1M167P165-M167 PolarHBondContact O-N 3.24Å
166H60.5Low65.3Low206 Ų20687.9 Ų87.995%0.95445%0.449SS*.SBendtrans-55.9-13.1-176.7-163.8-71.7000113.6
167M66.9Low67Low42 Ų4282.4 Ų82.421%0.20742%0.423CS..SBendtrans-143.8130.4170.5-154.9171.5-155.200111.8P165 G431 A432 Q437P165-M167 PolarHBondContact O-N 3.24Å; M167-G431 VanDerWaalsContact CE-CA 3.46Å; M167-A432 HydrophobicContact CB-CB 3.9Å; M167-A432 HydrophobicContact CG-CB 3.92Å; M167-A432 HydrophobicContact SD-CB 4.33Å; M167-A432 PolarHBondContact SD-N 3.28Å; M167-Q437 WeakPolarHBondContact CE-O 3.49Å; M167-Q437 HydrophobicContact SD-CB 4.37Å; M167-Q437 PolarHBondContact SD-OE1 3.26Å
168P78.9Confident68.1Low11 Ų1183.9 Ų83.97%0.07144%0.439CS..PPolyproline II helixtrans-75.6154.3179.436.1-42.9000112.6H377 T379 A432P168-H377 HydrophobicContact CB-CB 3.29Å; P168-H377 HydrophobicContact CG-CB 3.64Å; P168-H377 VanDerWaalsContact CG-ND1 3.34Å; P168-H377 WeakPolarHBondContact CG-ND1 3.32Å; P168-T379 VanDerWaalsContact CD-OG1 3.27Å; P168-T379 WeakPolarHBondContact CD-OG1 2.99Å; P168-T379 VanDerWaalsContact CG-OG1 3.29Å; P168-T379 WeakPolarHBondContact CG-OG1 3.33Å; P168-A432 WeakPolarHBondContact O-CB 3.16Å
169L84.8Confident68.4Low127 Ų12783.9 Ų83.967%0.66545%0.445SS*.PPolyproline II helixtrans-56.6148.1174.5-65.6171.4000111.7T380 E433L169-T380 WeakPolarHBondContact O-CG2 3.36Å; L169-E433 HydrophobicContact CD2-CG 4.3Å
170N88.7Confident68.7Low14 Ų1484.4 Ų84.48%0.07546%0.455CS..PPolyproline II helixtrans-81.3158.4175.4-62.9-43.4000110.7V381 G431 E433 Y434N170-V381 WeakPolarHBondContact CB-O 3.47Å; N170-G431 WeakPolarHBondContact OD1-CA 3.48Å; N170-E433 HydrophobicContact CB-CG 4.36Å; N170-E433 WeakPolarHBondContact ND2-CB 3.37Å; N170-E433 PolarHBondContact ND2-N 3.09Å; N170-Y434 HydrophobicContact CB-CE2 4.38Å; N170-Y434 WeakPolarHBondContact ND2-CD2 3.16Å; N170-Y434 WeakPolarHBondContact ND2-CE2 3.39Å
171A88.1Confident68.3Low2 Ų290.1 Ų90.12%0.01748%0.479CS..EExtended strand (participates in β ladder)trans-111.4144.7176.300000110.1F177 F376 T380 V381 C382 K383A171-F177 HydrophobicContact CB-CE2 4.26Å; A171-F376 HydrophobicContact CB-CD2 4.27Å; A171-F376 HydrophobicContact CB-CE2 3.81Å; A171-F376 HydrophobicContact CB-CZ 4.11Å; A171-T380 HydrophobicContact CB-CG2 4.06Å; A171-V381 PolarHBondContact N-O 2.95Å; A171-C382 CarbonylContact O-C 3.51Å; A171-C382 VanDerWaalsContact O-CA 3.31Å; A171-C382 WeakPolarHBondContact O-CA 3.39Å; A171-K383 PolarHBondContact O-N 2.79Å
172T90.1Very high68Low36 Ų3691.9 Ų91.922%0.22150%0.495CS..EExtended strand (participates in β ladder)trans-116.7125.5170.2-63.40000109.3P174 D175 S176 K383 P385T172-P174 CarbonylContact O-C 3.6Å; T172-D175 PolarHBondContact O-N 3.47Å; T172-S176 PolarHBondContact N-OG 3.04Å; T172-S176 PolarHBondContact O-N 2.89Å; T172-S176 PolarHBondContact O-OG 3.19Å; T172-K383 HydrophobicContact CG2-CB 4.41Å; T172-K383 HydrophobicContact CG2-CD 4.15Å; T172-K383 HydrophobicContact CG2-CG 4.5Å; T172-P385 HydrophobicContact CG2-CG 4.47Å
173F87.1Confident67.7Low49 Ų4989.2 Ų89.222%0.21551%0.505CS..THydrogen-bonded Turntrans-82.4134.9175.2-173.8-91.6000110.6F177 K383 P385 C388 S389 L390F173-F177 HydrophobicContact CB-CD2 3.93Å; F173-F177 HydrophobicContact CB-CE2 3.58Å; F173-F177 HydrophobicContact CB-CZ 4.23Å; F173-F177 HydrophobicContact CD2-CB 4.24Å; F173-F177 AromaticContact CD2-CD1 3.88Å; F173-F177 HydrophobicContact CD2-CD1 3.88Å; F173-F177 AromaticContact CD2-CD2 3.48Å; F173-F177 HydrophobicContact CD2-CD2 3.48Å; F173-F177 VanDerWaalsContact CD2-CD2 3.48Å; F173-F177 HydrophobicContact CD2-CE1 4.09Å; F173-F177 AromaticContact CD2-CE2 3.71Å; F173-F177 HydrophobicContact CD2-CE2 3.71Å; F173-F177 AromaticContact CD2-CG 3.58Å; F173-F177 HydrophobicContact CD2-CG 3.58Å; F173-F177 HydrophobicContact CD2-CZ 4Å; F173-F177 HydrophobicContact CE2-CB 4.42Å; F173-F177 HydrophobicContact CE2-CD1 4.31Å; F173-F177 HydrophobicContact CE2-CD2 4.43Å; F173-F177 HydrophobicContact CE2-CG 4.13Å; F173-F177 HydrophobicContact CG-CD2 4.14Å; F173-F177 HydrophobicContact CG-CE2 4.14Å; F173-K383 PolarHBondContact N-O 2.91Å; F173-P385 WeakPolarHBondContact O-CD 3.37Å; F173-P385 VanDerWaalsContact O-CG 3.32Å; F173-P385 WeakPolarHBondContact O-CG 3.47Å; F173-C388 HydrophobicContact CD1-CB 3.98Å; F173-C388 HydrophobicContact CE1-CB 4.34Å; F173-S389 WeakPolarHBondContact CE1-O 3.45Å; F173-L390 HydrophobicContact CD2-CD1 3.68Å; F173-L390 HydrophobicContact CE2-CD1 3.9Å; F173-L390 HydrophobicContact CG-CD1 4.43Å
174P86Confident66.9Low60 Ų6084.9 Ų84.939%0.3950%0.499SS..THydrogen-bonded Turncis-91-5.81.736.1-34.9000115.1T172 S176 F177T172-P174 CarbonylContact O-C 3.6Å; P174-S176 VanDerWaalsContact C-N 3.34Å; P174-S176 PolarHBondContact O-N 3.13Å; P174-F177 PolarHBondContact O-N 3.42Å
175D85.3Confident66.1Low140 Ų14083.8 Ų83.875%0.74952%0.519SS*.THydrogen-bonded Turntrans-60.3-36.3-166.5-58.6-35000114.8T172 F177T172-D175 PolarHBondContact O-N 3.47Å; D175-F177 VanDerWaalsContact C-N 3.32Å
176S83.6Confident65Low47 Ų4783 Ų8333%0.32953%0.527SS..THydrogen-bonded Turntrans-84.2-5.3-179.7-54.70000113.6T172 P174 P178 F376T172-S176 PolarHBondContact N-OG 3.04Å; T172-S176 PolarHBondContact O-N 2.89Å; T172-S176 PolarHBondContact O-OG 3.19Å; P174-S176 VanDerWaalsContact C-N 3.34Å; P174-S176 PolarHBondContact O-N 3.13Å; S176-P178 WeakPolarHBondContact O-CD 3.14Å; S176-F376 VanDerWaalsContact O-CZ 3.3Å; S176-F376 WeakPolarHBondContact O-CZ 3.49Å
177F86.9Confident63.8Low16 Ų1681.4 Ų81.47%0.0753%0.525CS..SBendtrans-100.8109.8-169.9-69.3-106000109.4A171 F173 P174 D175 Q179 H374 F376 C382 L390A171-F177 HydrophobicContact CB-CE2 4.26Å; F173-F177 HydrophobicContact CB-CD2 3.93Å; F173-F177 HydrophobicContact CB-CE2 3.58Å; F173-F177 HydrophobicContact CB-CZ 4.23Å; F173-F177 HydrophobicContact CD2-CB 4.24Å; F173-F177 AromaticContact CD2-CD1 3.88Å; F173-F177 HydrophobicContact CD2-CD1 3.88Å; F173-F177 AromaticContact CD2-CD2 3.48Å; F173-F177 HydrophobicContact CD2-CD2 3.48Å; F173-F177 VanDerWaalsContact CD2-CD2 3.48Å; F173-F177 HydrophobicContact CD2-CE1 4.09Å; F173-F177 AromaticContact CD2-CE2 3.71Å; F173-F177 HydrophobicContact CD2-CE2 3.71Å; F173-F177 AromaticContact CD2-CG 3.58Å; F173-F177 HydrophobicContact CD2-CG 3.58Å; F173-F177 HydrophobicContact CD2-CZ 4Å; F173-F177 HydrophobicContact CE2-CB 4.42Å; F173-F177 HydrophobicContact CE2-CD1 4.31Å; F173-F177 HydrophobicContact CE2-CD2 4.43Å; F173-F177 HydrophobicContact CE2-CG 4.13Å; F173-F177 HydrophobicContact CG-CD2 4.14Å; F173-F177 HydrophobicContact CG-CE2 4.14Å; P174-F177 PolarHBondContact O-N 3.42Å; D175-F177 VanDerWaalsContact C-N 3.32Å; F177-Q179 PolarHBondContact O-N 3.07Å; F177-Q179 VanDerWaalsContact O-N 3.12Å; F177-H374 AromaticContact CD1-CD2 3.53Å; F177-H374 AromaticContact CD1-CE1 3.71Å; F177-H374 AromaticContact CD1-CG 3.88Å; F177-H374 AromaticContact CD1-ND1 3.99Å; F177-H374 AromaticContact CD1-NE2 3.42Å; F177-H374 WeakPolarHBondContact CD1-NE2 3.41Å; F177-H374 AromaticContact CE1-CE1 3.72Å; F177-H374 AromaticContact CE1-ND1 3.81Å; F177-H374 AromaticContact CE1-NE2 3.93Å; F177-F376 HydrophobicContact CD1-CE2 4.39Å; F177-F376 AromaticContact CE1-CE2 3.98Å; F177-F376 HydrophobicContact CE1-CE2 3.98Å; F177-F376 HydrophobicContact CE2-CE2 4.4Å; F177-F376 AromaticContact CZ-CE2 3.99Å; F177-F376 HydrophobicContact CZ-CE2 3.99Å; F177-C382 HydrophobicContact CZ-CB 4.2Å; F177-L390 HydrophobicContact CD1-CD1 4.15Å; F177-L390 HydrophobicContact CE1-CD1 3.52Å; F177-L390 HydrophobicContact CE1-CD2 4.28Å; F177-L390 HydrophobicContact CZ-CD1 3.93Å; F177-L390 HydrophobicContact CZ-CD2 3.96Å
178P73.3Confident62.2Low94 Ų9484.9 Ų84.961%0.6155%0.553SS**  trans-59.9121.7179.421-28.7000109.6S176S176-P178 WeakPolarHBondContact O-CD 3.14Å
179Q51.7Low60.2Low155 Ų15592.7 Ų92.772%0.72459%0.594SS**  trans-64.5133.8169.9-70.7-86.7-44.300107.7F177 H181F177-Q179 PolarHBondContact O-N 3.07Å; F177-Q179 VanDerWaalsContact O-N 3.12Å; Q179-H181 PolarHBondContact O-N 3.05Å
180P46Very low57.7Low118 Ų11890.3 Ų90.377%0.76660%0.601SS**  trans-60.3113.1166.124.7-29.6000106.8S182P180-S182 PolarHBondContact O-N 2.75Å
181H38.9Very low54.9Low188 Ų18893.7 Ų93.787%0.8764%0.639SS**  trans-54.6105.4173-79.8-76.3000108.2Q179 G183Q179-H181 PolarHBondContact O-N 3.05Å; H181-G183 VanDerWaalsContact C-N 3.3Å; H181-G183 PolarHBondContact O-N 3.08Å
182S37.6Very low52.1Low119 Ų11997.5 Ų97.583%0.83268%0.678SS**  trans-65.798.2160.340.50000106.7P180 G184P180-S182 PolarHBondContact O-N 2.75Å; S182-G184 PolarHBondContact O-N 2.9Å
183G38.5Very low49.3Very low85 Ų8599.9 Ų99.988%0.87671%0.71SS**  trans-56.9106.4167.800000109.2H181H181-G183 VanDerWaalsContact C-N 3.3Å; H181-G183 PolarHBondContact O-N 3.08Å
184G30.1Very low46.5Very low71 Ų71101.8 Ų101.873%0.73274%0.743SS**  trans-148.688.8174.700000108.7S182S182-G184 PolarHBondContact O-N 2.9Å
185G33.9Very low43.8Very low91 Ų91103 Ų10394%0.93877%0.767SS**  trans-60.9143.7172.100000111.5
186G28.7Very low41.1Very low73 Ų73100.3 Ų100.375%0.75377%0.773SS**  trans-163.772.1178.800000110.8S188G186-S188 PolarHBondContact O-N 3.27Å
187N35.2Very low38.5Very low172 Ų172102.1 Ų102.192%0.9280%0.798SS**  trans-64.1123.1167-154.531.8000108.6
188S33.9Very low35.8Very low114 Ų114105.6 Ų105.680%0.79784%0.839SS**  trans-153.6122.515253.90000111.5G186G186-S188 PolarHBondContact O-N 3.27Å
189N36.7Very low33.7Very low175 Ų175104.9 Ų104.994%0.93685%0.849SS**  trans-74.1146.9171.2-138.85.9000109.1
190G30.8Very low32.6Very low78 Ų78101.7 Ų101.780%0.80486%0.857SS**  trans179.286.1171.100000112.8
191G31.2Very low31.7Very low85 Ų85100 Ų10088%0.87686%0.862SS**  trans-79.9161.1170.900000113.3
192G28.7Very low31.2Very low81 Ų8194.9 Ų94.984%0.83586%0.859SS**  trans164.1109.9170.600000112.3
193G30.4Very low30.7Very low86 Ų8693.4 Ų93.489%0.88785%0.849SS**  trans-86-178.2-169.500000117.7
194G28.2Very low30.4Very low89 Ų8998.2 Ų98.292%0.91885%0.846SS**  trans111.2123.2169.600000112.2
195G29.6Very low30.8Very low85 Ų85100.5 Ų100.588%0.87685%0.848SS**  cis134.4112.113.500000108.7
196G29Very low30.6Very low85 Ų85103.2 Ų103.288%0.87684%0.84SS**  trans115.9109.6155.300000119.6
197G29.6Very low30.8Very low84 Ų84105.2 Ų105.287%0.86684%0.842SS**  105.899.6116.900000121.3
198G29.3Very low31Very low89 Ų89102 Ų10292%0.91883%0.83SS**  trans78.5138.5140.500000118.7
199G29.2Very low30.8Very low80 Ų80104.5 Ų104.583%0.82584%0.835SS**  cis1731572.700000110.9
200G28.4Very low30.6Very low87 Ų87101.3 Ų101.390%0.89783%0.827SS**  trans81.8130.4162.700000116
201G28.1Very low31.1Very low84 Ų84103.1 Ų103.187%0.86682%0.824SS**  cis163.3145.76.400000107.6
202G27.9Very low31.2Very low79 Ų79109.9 Ų109.981%0.81483%0.825SS**  trans130.497.5167.700000113.2
203S27.7Very low31.6Very low89 Ų89112 Ų11262%0.62282%0.823SS**  trans-135144.4173.5-48.40000111
204F31Very low31.6Very low185 Ų185113.6 Ų113.681%0.81182%0.821SS**  trans86.1152.9148.3-52.3-48.3000118.6
205P39Very low31.7Very low120 Ų120115.1 Ų115.178%0.77982%0.818SS**  cis-135.3156.621.736.5-16000118.9
206I30.6Very low32.2Very low148 Ų148116.9 Ų116.976%0.75981%0.814SS**  trans-79.8147.4158.7-69166.3000108.1
207S32.8Very low32.1Very low114 Ų114117.4 Ų117.480%0.79781%0.81SS**  trans-140.2155.1155.3-86.10000111.8
208P38.8Very low32.2Very low104 Ų104119.3 Ų119.368%0.67581%0.81SS**  trans-110.6164.7-148.938.5-26.9000112.8
209N29.1Very low32.3Very low167 Ų167121 Ų12189%0.89381%0.808SS**  trans-171.5119.9140.1-98.3-11.9000111.8
210S34.2Very low32.2Very low109 Ų109120.7 Ų120.776%0.76281%0.805SS**  trans-82.1172.1160.1-137.30000108.8
211P40Very low32.3Very low116 Ų116123 Ų12375%0.75380%0.802SS**  cis-147.4147.346.436.4-13.8000117.4
212Y32.7Very low32.5Very low226 Ų226129.9 Ų129.989%0.88680%0.803SS**  trans-119.9141.9153.9-80.2-79.4000109.6
213P39.1Very low33.2Very low125 Ų125131.6 Ų131.681%0.81280%0.8SS**  trans-82.4152-179.432.4-31.9000112.8
214S29.6Very low33.3Very low120 Ų120135 Ų13584%0.83981%0.811SS**  trans-85.9149.8178.3-39.80000112
215S31.2Very low33.5Very low121 Ų121131.7 Ų131.785%0.84681%0.811SS**  trans-134.6156164-83.60000110.5
216P39.6Very low33.6Very low122 Ų122132.1 Ų132.179%0.79281%0.814SS**  trans-101.1163-134.536.5-34.6000115.6
217A27.3Very low33.5Very low97 Ų97129.7 Ų129.780%0.80282%0.815SS**  trans-64.4151171.100000112.9
218S31.5Very low33.5Very low123 Ų123129.1 Ų129.186%0.8681%0.812SS**  trans-135.3108.9157.6-640000108.6
219S30.6Very low33.2Very low124 Ų124129.6 Ų129.687%0.86782%0.818SS**  trans-71.8141.3173.442.80000112
220G27.7Very low33.2Very low74 Ų74125.2 Ų125.276%0.76381%0.811SS**  trans-153.791.1168.700000110.6
221T30Very low33.7Very low137 Ų137126.1 Ų126.184%0.8482%0.815SS**  trans-76.7139.7176.916.30000111.8
222Y32.7Very low33.2Very low228 Ų228126.8 Ų126.889%0.89482%0.822SS**  trans-66.7156.9165.2-65.5-90.2000111.9
223P41.5Very low33.2Very low115 Ų115121.2 Ų121.275%0.74782%0.816SS**  trans-140135.1134.531.8-14.9000115.4
224N30.7Very low33.3Very low161 Ų161120.6 Ų120.686%0.86181%0.812SS**  trans43.4127.9133.6-64.2-20.5000123
225S34.3Very low33.3Very low114 Ų114124.3 Ų124.380%0.79781%0.814SS**  trans-68169.8156.3-44.60000113.7
226P40.8Very low33.2Very low130 Ų130127.9 Ų127.984%0.84482%0.817SS**  trans-131.1153.6137.831.3-15.6000114.7
227A30.1Very low33.2Very low96 Ų96129.9 Ų129.979%0.79382%0.82SS**  trans-66.4175.2169.500000111.8
228S32.3Very low33.9Very low103 Ų103131 Ų13172%0.7282%0.819SS**  cis-179.7148.529.746.90000106.5
229S31.9Very low33.9Very low114 Ų114128.9 Ų128.980%0.79781%0.809SS**  145.8137.6103.4-65.40000109.9
230G29.4Very low33.9Very low74 Ų74129.9 Ų129.976%0.76381%0.805SS**  trans-80.4-147.9176.700000114.3
231P45.6Very low34.2Very low129 Ų129132.9 Ų132.984%0.83881%0.808SS**  cis-138.8171.2-641.3-23.6000115.7
232S28.9Very low34.6Very low129 Ų129131.7 Ų131.790%0.90280%0.803SS**  trans170.8130.8140.452.30000113.9
233S33.1Very low35.2Very low109 Ų109126.5 Ų126.576%0.76280%0.798SS**  trans-118.7150.2168.1-1750000107.9
234P39.8Very low35.1Very low112 Ų112126.8 Ų126.873%0.72780%0.799SS**  -156.2151.793.332.7-9.5000118.4
235F30.9Very low35.1Very low199 Ų199124.3 Ų124.387%0.87380%0.801SS**  trans37.5122.4145.7-71.1-87.4000124.1
236Q29Very low35Very low195 Ų195128.5 Ų128.591%0.91180%0.801SS**  -170.3132.3123.3-111.5167.4-1.200113.9
237L38.3Very low34.4Very low164 Ų164128.8 Ų128.886%0.85979%0.793SS**  trans-123.4159.2164.3-86.2174.6000107
238P43.6Very low35.3Very low120 Ų120128.9 Ų128.978%0.77979%0.785SS**  -146.7151.381.830.9-7.6000115.9
239A31.8Very low36.2Very low79 Ų79129.2 Ų129.265%0.65379%0.785SS**  65.5136.1106.700000114.9
240D30.6Very low36Very low145 Ų145133 Ų13378%0.77579%0.79SS**  cis-166.6144.143.7-81.4-55.6000107.8
241T32.9Very low36.2Very low137 Ų137138.6 Ų138.684%0.8480%0.796SS**  169.3161.875.8180000110.3
242P37.8Very low35.4Very low112 Ų112141.7 Ų141.773%0.72780%0.8SS**  trans-107.4177.1-159.840.9-33.2000116.3
243P46.2Very low35.6Very low120 Ų120144 Ų14478%0.77980%0.801SS**  trans-100.9156.9-179.338.4-30.4000113.7
244P39.1Very low35.5Very low121 Ų121142.5 Ų142.579%0.78680%0.802SS**  trans-112.6133.1161.233-20.6000111.1
245A30.5Very low35.1Very low109 Ų109146.2 Ų146.290%0.90181%0.81SS**  91.5140.455.300000113.7
246Y32.1Very low35Very low201 Ų201144.6 Ų144.679%0.78881%0.811SS**  trans-105.8135.3-156.4178.6-97000112.8
247M29.1Very low35.4Very low136 Ų136141 Ų14167%0.6781%0.807SS**  trans69.6171.9148.6-80.4-144.1130.500123.5
248P48.1Very low34.9Very low99 Ų99141.3 Ų141.364%0.64380%0.804SS**  -131.9-145-57.742.2-22.7000109.6
249P50.8Low34.9Very low109 Ų109141.5 Ų141.571%0.70881%0.808SS**  cis-129.5-179.2-3037.5-18.1000114
250E28.9Very low35.1Very low195 Ų195146.1 Ų146.191%0.91182%0.818SS**  166.7145.5129.6-89.6-175.317200114.3
251E32.2Very low35Very low190 Ų190147.6 Ų147.689%0.88882%0.821SS**  trans-83154.3-169.7-62.5172.2115.100115
252Q30.3Very low35Very low195 Ų195148 Ų14891%0.91182%0.823SS**  trans-161.6148.4136.5-110.8170.330.600113.6
253L31.8Very low35Very low177 Ų177147.6 Ų147.693%0.92782%0.823SS**  trans-58150.1-162.4-81.173.4000118
254G31.5Very low34.7Very low77 Ų77146.7 Ų146.779%0.79482%0.82SS**  trans-174.9101153.600000111.5
255Q32.7Very low34.7Very low190 Ų190146.6 Ų146.689%0.88882%0.822SS**  trans-63.8130.8173.2-77.5167.3-3100111.1
256D27.6Very low35.6Very low165 Ų165146.9 Ų146.988%0.88281%0.807SS**  -158.2128.9128.1-112.3-20.5000111.3Q258D256-Q258 PolarHBondContact O-N 2.84Å
257S37.2Very low36.3Very low119 Ų119141.7 Ų141.783%0.83280%0.798SS**  trans-78.7111.7-176.8-62.30000110.4
258Q29.2Very low37.6Very low172 Ų172146.3 Ų146.380%0.80481%0.808SS**  trans-135.8109.3155.8-70.3-168.1-700110.2D256 M260D256-Q258 PolarHBondContact O-N 2.84Å; Q258-M260 PolarHBondContact O-N 3.22Å
259S43.1Very low38.6Very low124 Ų124146.2 Ų146.287%0.86780%0.802SS**  trans-4912015448.40000109.2
260M34.7Very low39.8Very low175 Ų175142.8 Ų142.886%0.86278%0.779SS**  trans-134118166.8-139.2169.5-168.400110.2Q258Q258-M260 PolarHBondContact O-N 3.22Å
261E30.1Very low42.4Very low176 Ų176136.7 Ų136.782%0.82275%0.75SS**  trans-56.3136.9-176.4-60.8168.3128.200111.3S263E261-S263 PolarHBondContact O-N 3.34Å
262T32.7Very low45.1Very low147 Ų147131 Ų13190%0.90273%0.73SS**  trans-67.373.6166.4-42.90000109.2S264T262-S264 PolarHBondContact O-N 3.44Å
263S37.1Very low47.9Very low102 Ų102121.9 Ų121.971%0.71369%0.687SS**  trans-79.89416553.80000107.7E261 S265E261-S263 PolarHBondContact O-N 3.34Å; S263-S265 PolarHBondContact O-N 2.89Å
264S40.5Very low50.7Low102 Ų102119.8 Ų119.871%0.71367%0.673SS**  trans-53.4112.2162.839.10000108.5T262 I266T262-S264 PolarHBondContact O-N 3.44Å; S264-I266 PolarHBondContact O-N 3.29Å
265S38.6Very low53.5Low118 Ų118118.3 Ų118.383%0.82564%0.644SS**  trans-64.495.8-179.442.60000111S263S263-S265 PolarHBondContact O-N 2.89Å
266I48.6Very low56.1Low116 Ų116114.1 Ų114.160%0.59562%0.624SS**  trans-61.7130.6164.4-56.5175.2000107.4S264 R268S264-I266 PolarHBondContact O-N 3.29Å; I266-R268 PolarHBondContact O-N 2.74Å
267P48.8Very low58.9Low91 Ų91111.6 Ų111.659%0.59161%0.607SS**  trans-54.6128.4172.1-21.430.8000110.1D269 V270P267-D269 PolarHBondContact O-N 3.45Å; P267-V270 PolarHBondContact O-N 2.99Å
268R55.3Low61.3Low234 Ų234107.5 Ų107.588%0.88358%0.578SS**THydrogen-bonded Turntrans-63.4-2.3-172.4-71.5-176.7175.6-178-1.1115.5R143 I266R143-R268 PolarHBondContact NH1-O 2.97Å; I266-R268 PolarHBondContact O-N 2.74Å
269D69.2Low64Low96 Ų96104.5 Ų104.551%0.51358%0.575SS.*THydrogen-bonded Turntrans-106.29.1-174.4-89.2-38.7000115.4R143 H144 P267R143-D269 PolarHBondContact N-O 3.07Å; H144-D269 IonicContact ND1-OD1 3.7Å; P267-D269 PolarHBondContact O-N 3.45Å
270V76.4Confident66.3Low38 Ų38101.6 Ų101.623%0.2355%0.548CS..EExtended strand (participates in β ladder)trans-125.2133.9-175.8-1710000110.5L140 V141 P267L140-V270 HydrophobicContact CB-CG1 3.5Å; L140-V270 VanDerWaalsContact CB-CG1 3.5Å; L140-V270 HydrophobicContact CD1-CG1 4.28Å; L140-V270 HydrophobicContact CD2-CG1 3.95Å; L140-V270 HydrophobicContact CG-CG1 4.09Å; V141-V270 WeakPolarHBondContact O-CA 3.16Å; P267-V270 PolarHBondContact O-N 2.99Å
271Q83Confident69.1Low67 Ų6794.4 Ų94.431%0.31351%0.511SS..EExtended strand (participates in β ladder)trans-102.8125.7173.7-76.7-171.5-40.400111.2V141 R143V141-Q271 PolarHBondContact N-O 3.22Å; V141-Q271 PolarHBondContact O-N 3.42Å; R143-Q271 HydrophobicContact CG-CG 4.4Å
272P88.5Confident72.3Confident70 Ų7086 Ų8646%0.45547%0.472SS..EExtended strand (participates in β ladder)trans-78.2135.5172.931-32.3000111P138 V139 L140P138-P272 HydrophobicContact CB-CB 3.99Å; P138-P272 HydrophobicContact CG-CB 4.44Å; V139-P272 CarbonylContact O-C 3.57Å; L140-P272 HydrophobicContact CD2-CB 4.07Å
273V90.4Very high75.4Confident4 Ų479.7 Ų79.72%0.02443%0.434CS..EExtended strand (participates in β ladder)trans-116.6107.7172.8-173.70000109.2P138 V139 V141 W456 K459 V460 Q463P138-V273 WeakPolarHBondContact CA-O 3.25Å; V139-V273 PolarHBondContact N-O 2.79Å; V139-V273 PolarHBondContact O-N 3.48Å; V141-V273 HydrophobicContact CG2-CG2 3.9Å; V273-W456 PolarHBondContact O-NE1 3.27Å; V273-K459 HydrophobicContact CG1-CB 3.51Å; V273-K459 HydrophobicContact CG1-CD 4.23Å; V273-V460 HydrophobicContact CB-CG2 4.05Å; V273-V460 HydrophobicContact CG1-CG2 4.01Å; V273-V460 HydrophobicContact CG2-CG2 4.17Å; V273-Q463 VanDerWaalsContact CG2-CD 3.45Å
274E90.3Very high78.3Confident133 Ų13374.8 Ų74.862%0.62140%0.4SS*.  trans-80.3147.8179.5-65.1-178-178.700112.3P138P138-E274 HydrophobicContact CB-CG 4.21Å
275Y90.1Very high81.1Confident45 Ų4570.6 Ų70.618%0.17637%0.37CS..  trans-80.7135.6172.1179.6-100.8000110.5L136 E277 N395 W456L136-Y275 HydrophobicContact CD1-CD1 3.87Å; L136-Y275 HydrophobicContact CD1-CD2 4.27Å; L136-Y275 HydrophobicContact CD1-CE1 4.2Å; L136-Y275 HydrophobicContact CD1-CG 3.89Å; Y275-E277 HydrophobicContact CE1-CG 3.67Å; Y275-N395 PolarHBondContact OH-ND2 3.42Å; Y275-W456 HydrophobicContact CD2-CB 4.02Å; Y275-W456 AromaticContact CD2-CD2 3.65Å; Y275-W456 HydrophobicContact CD2-CD2 3.65Å; Y275-W456 AromaticContact CD2-CE3 3.27Å; Y275-W456 HydrophobicContact CD2-CE3 3.27Å; Y275-W456 HydrophobicContact CD2-CG 4.02Å; Y275-W456 AromaticContact CD2-CZ3 3.85Å; Y275-W456 HydrophobicContact CD2-CZ3 3.85Å; Y275-W456 HydrophobicContact CE2-CE3 4.08Å; Y275-W456 HydrophobicContact CG-CD2 4.24Å; Y275-W456 AromaticContact CG-CE3 3.94Å; Y275-W456 HydrophobicContact CG-CE3 3.94Å; Y275-W456 HydrophobicContact CG-CZ3 4.13Å
276E86.6Confident84Confident102 Ų10265 Ų6548%0.47733%0.33SS..  trans-126.4137174.2-74.9166.7-153.700109.1K459E276-K459 IonicContact OE1-NZ 3.81Å; E276-K459 PolarHBondContact OE1-NZ 3.43Å; E276-K459 IonicContact OE2-NZ 2.67Å; E276-K459 PolarHBondContact OE2-NZ 3.22Å
277E85.8Confident86.4Confident112 Ų11261.6 Ų61.652%0.52331%0.31SS..  trans-77.5126.6175.2-75.2-166.2154.900110.7S133 Y275 Y348S133-E277 PolarHBondContact OG-OE1 2.95Å; Y275-E277 HydrophobicContact CE1-CG 3.67Å; E277-Y348 PolarHBondContact OE1-OH 3.32Å
278P88.4Confident88.7Confident34 Ų3457.2 Ų57.222%0.22128%0.282CS..  trans-75.9162.8178.132.5-38.3000112.2H280 H451P278-H280 VanDerWaalsContact C-N 3.3Å; P278-H280 WeakPolarHBondContact CB-O 3.45Å; P278-H280 WeakPolarHBondContact CG-O 3.17Å; P278-H280 PolarHBondContact O-N 3.25Å; P278-H451 HydrophobicContact CB-CB 4.14Å; P278-H451 HydrophobicContact CG-CB 3.77Å
279S85Confident90.8Very high108 Ų10848.3 Ų48.376%0.75525%0.252SS*.SBendtrans-63.3-34.3175.858.20000113.5
280H91.9Very high92.1Very high63 Ų6349.2 Ų49.229%0.29226%0.257SS..SBendtrans-115.9126.2170.1-63.7-62.7000108.2P278 A299 S300 H451P278-H280 VanDerWaalsContact C-N 3.3Å; P278-H280 WeakPolarHBondContact CB-O 3.45Å; P278-H280 WeakPolarHBondContact CG-O 3.17Å; P278-H280 PolarHBondContact O-N 3.25Å; H280-A299 VanDerWaalsContact CA-O 3.29Å; H280-A299 WeakPolarHBondContact CA-O 3.48Å; H280-A299 WeakPolarHBondContact CB-O 3.4Å; H280-A299 PolarHBondContact ND1-O 2.86Å; H280-S300 WeakPolarHBondContact ND1-CA 3.3Å; H280-S300 PolarHBondContact ND1-N 3.28Å; H280-H451 VanDerWaalsContact O-CB 3.26Å; H280-H451 WeakPolarHBondContact O-CB 3.43Å; H280-H451 PolarHBondContact O-ND1 3.5Å; H280-H451 VanDerWaalsContact O-ND1 3.12Å
281W94.4Very high93.1Very high24 Ų2450.2 Ų50.29%0.09126%0.261CS..SBendtrans-79.8-25.2-177.569.5-88.9000112.3A299 S301 V304 L346 Y348 V353 L450 H451W281-A299 HydrophobicContact CZ2-CB 4.35Å; W281-A299 PolarHBondContact N-O 2.77Å; W281-S301 PolarHBondContact NE1-O 2.65Å; W281-V304 HydrophobicContact CZ2-CG2 4.46Å; W281-L346 HydrophobicContact CH2-CB 4.19Å; W281-Y348 HydrophobicContact CD2-CG 4.42Å; W281-Y348 HydrophobicContact CE3-CG 4.44Å; W281-V353 HydrophobicContact CE3-CG2 4.35Å; W281-V353 HydrophobicContact CH2-CG1 3.99Å; W281-V353 HydrophobicContact CZ3-CG1 3.75Å; W281-V353 HydrophobicContact CZ3-CG2 3.89Å; W281-L450 HydrophobicContact CE3-CD2 4.07Å; W281-L450 HydrophobicContact CZ3-CD2 3.8Å; W281-H451 PolarHBondContact O-N 3.37Å
282C97.3Very high93.9Very high0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-151.5164171.672.30000114.1A299 V448 H449 L450C282-A299 PolarHBondContact O-N 2.8Å; C282-A299 VanDerWaalsContact SG-CB 3.55Å; C282-V448 HydrophobicContact CB-CG1 3.98Å; C282-H449 CarbonylContact C-O 3.6Å; C282-H449 WeakPolarHBondContact CA-O 3.48Å; C282-H449 WeakPolarHBondContact CB-O 3.31Å; C282-L450 HydrophobicContact CB-CD2 4.07Å
283S97.7Very high94.3Very high14 Ų1450.7 Ų50.710%0.09825%0.251CS..EExtended strand (participates in β ladder)trans-118.7147.8160.658.70000111.1Y297 V448 H449 H451S283-Y297 CarbonylContact C-O 3.58Å; S283-Y297 WeakPolarHBondContact CA-O 3.49Å; S283-V448 WeakPolarHBondContact O-CA 3.45Å; S283-H449 PolarHBondContact N-O 3.44Å; S283-H449 PolarHBondContact O-N 3.1Å; S283-H451 WeakPolarHBondContact CB-NE2 3.42Å; S283-H451 PolarHBondContact N-NE2 2.94Å; S283-H451 PolarHBondContact OG-NE2 3.04Å
284I98.4Very high94.6Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-124.9126.8-176-50.9177.7000108.7Y297 V304 V306 F319 L346 I446 E447 V448I284-Y297 HydrophobicContact CB-CD1 4.44Å; I284-Y297 HydrophobicContact CD1-CD1 4.08Å; I284-Y297 HydrophobicContact CD1-CE1 4.46Å; I284-Y297 HydrophobicContact CG1-CD1 4.33Å; I284-Y297 PolarHBondContact N-O 2.81Å; I284-Y297 PolarHBondContact O-N 3.07Å; I284-V304 HydrophobicContact CD1-CG1 4.12Å; I284-V306 HydrophobicContact CD1-CG2 3.75Å; I284-F319 HydrophobicContact CB-CD1 4.2Å; I284-F319 HydrophobicContact CB-CE1 4.28Å; I284-F319 HydrophobicContact CG2-CD1 3.95Å; I284-F319 HydrophobicContact CG2-CE1 3.94Å; I284-L346 HydrophobicContact CD1-CD1 3.85Å; I284-I446 HydrophobicContact CG2-CB 3.9Å; I284-I446 HydrophobicContact CG2-CD1 3.78Å; I284-I446 HydrophobicContact CG2-CG1 4.36Å; I284-I446 HydrophobicContact CG2-CG2 4.1Å; I284-E447 WeakPolarHBondContact CA-O 3.22Å; I284-V448 HydrophobicContact CG1-CG1 4.47Å; I284-V448 HydrophobicContact CG1-CG2 4.33Å; I284-V448 HydrophobicContact CG2-CG2 4.39Å
285V98.6Very high94.7Very high13 Ų1353.9 Ų53.98%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-117.8130.1178.2-172.20000109.2Y287 R292 A296 I446 E447V285-Y287 HydrophobicContact CB-CE2 3.77Å; V285-Y287 HydrophobicContact CG1-CD2 4.18Å; V285-Y287 HydrophobicContact CG1-CE2 3.42Å; V285-Y287 VanDerWaalsContact CG1-CE2 3.42Å; V285-R292 HydrophobicContact CG1-CG 3.73Å; V285-A296 HydrophobicContact CG2-CB 3.98Å; V285-I446 CarbonylContact O-C 3.56Å; V285-I446 WeakPolarHBondContact O-CA 3.44Å; V285-E447 PolarHBondContact N-O 3.03Å; V285-E447 PolarHBondContact O-N 2.72Å
286Y98.7Very high95Very high0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-97.4141.6179.2174.7-114.8000112E288 V293 L321 L324 R337 C444 W445 I446Y286-E288 HydrophobicContact CE1-CG 3.66Å; Y286-E288 VanDerWaalsContact CE1-OE1 3.29Å; Y286-E288 WeakPolarHBondContact CE1-OE1 3.42Å; Y286-E288 WeakPolarHBondContact OH-CG 3.5Å; Y286-E288 PolarHBondContact OH-OE1 2.93Å; Y286-V293 HydrophobicContact CD1-CB 3.74Å; Y286-V293 HydrophobicContact CD1-CG1 4.01Å; Y286-V293 HydrophobicContact CE1-CB 3.96Å; Y286-V293 HydrophobicContact CE1-CG1 4Å; Y286-V293 PolarHBondContact O-N 3.45Å; Y286-L321 HydrophobicContact CD1-CD2 4.2Å; Y286-L321 HydrophobicContact CD2-CD1 3.76Å; Y286-L321 HydrophobicContact CD2-CD2 3.85Å; Y286-L321 HydrophobicContact CD2-CG 4.34Å; Y286-L321 HydrophobicContact CE2-CD1 3.82Å; Y286-L321 HydrophobicContact CE2-CD2 4.48Å; Y286-L321 HydrophobicContact CG-CD1 4.44Å; Y286-L321 HydrophobicContact CG-CD2 3.68Å; Y286-L324 HydrophobicContact CD1-CD1 3.58Å; Y286-L324 HydrophobicContact CE1-CD1 4.29Å; Y286-L324 HydrophobicContact CG-CD1 4.23Å; Y286-R337 PolarHBondContact OH-NH1 3.46Å; Y286-C444 HydrophobicContact CE2-CB 4.04Å; Y286-C444 PolarHBondContact OH-SG 3.28Å; Y286-C444 VanDerWaalsContact OH-SG 3.36Å; Y286-W445 VanDerWaalsContact CD2-O 3.26Å; Y286-W445 WeakPolarHBondContact CD2-O 3.18Å; Y286-I446 HydrophobicContact CD2-CG2 3.88Å
287Y98.8Very high95.4Very high45 Ų4549.6 Ų49.618%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-132.5144.4-178.8-68.6-95.3000111.5V285 N291 R292 W445 E447V285-Y287 HydrophobicContact CB-CE2 3.77Å; V285-Y287 HydrophobicContact CG1-CD2 4.18Å; V285-Y287 HydrophobicContact CG1-CE2 3.42Å; V285-Y287 VanDerWaalsContact CG1-CE2 3.42Å; Y287-N291 CarbonylContact C-O 3.48Å; Y287-N291 VanDerWaalsContact CA-O 3.25Å; Y287-N291 WeakPolarHBondContact CA-O 3.37Å; Y287-R292 HydrophobicContact CD1-CB 4.07Å; Y287-R292 HydrophobicContact CE1-CB 3.7Å; Y287-R292 HydrophobicContact CE1-CG 4.34Å; Y287-W445 VanDerWaalsContact CB-NE1 3.3Å; Y287-W445 HydrophobicContact CD1-CH2 4.28Å; Y287-W445 AromaticContact CD1-CZ2 3.83Å; Y287-W445 HydrophobicContact CD1-CZ2 3.83Å; Y287-W445 HydrophobicContact CD2-CD2 4.33Å; Y287-W445 HydrophobicContact CD2-CE3 4.24Å; Y287-W445 AromaticContact CD2-CH2 3.7Å; Y287-W445 HydrophobicContact CD2-CH2 3.7Å; Y287-W445 AromaticContact CD2-CZ2 3.8Å; Y287-W445 HydrophobicContact CD2-CZ2 3.8Å; Y287-W445 AromaticContact CD2-CZ3 3.95Å; Y287-W445 HydrophobicContact CD2-CZ3 3.95Å; Y287-W445 HydrophobicContact CE1-CZ2 4.48Å; Y287-W445 HydrophobicContact CE2-CH2 4.01Å; Y287-W445 HydrophobicContact CE2-CZ2 4.44Å; Y287-W445 HydrophobicContact CE2-CZ3 4.33Å; Y287-W445 HydrophobicContact CG-CD2 4.33Å; Y287-W445 AromaticContact CG-CE2 3.73Å; Y287-W445 AromaticContact CG-CH2 3.87Å; Y287-W445 HydrophobicContact CG-CH2 3.87Å; Y287-W445 AromaticContact CG-CZ2 3.47Å; Y287-W445 HydrophobicContact CG-CZ2 3.47Å; Y287-W445 VanDerWaalsContact CG-CZ2 3.47Å; Y287-W445 HydrophobicContact CG-CZ3 4.46Å; Y287-W445 PolarHBondContact N-O 3.23Å; Y287-W445 PolarHBondContact O-N 3.32Å; Y287-E447 HydrophobicContact CE2-CB 4.08Å
288E98.6Very high95.9Very high0 Ų048.8 Ų48.80%026%0.257CS..EExtended strand (participates in β ladder)trans-118110.2165.9-67.6179-179.500107.8Y286 N290 N291 V293 N326 R329 I333 R337 P443Y286-E288 HydrophobicContact CE1-CG 3.66Å; Y286-E288 VanDerWaalsContact CE1-OE1 3.29Å; Y286-E288 WeakPolarHBondContact CE1-OE1 3.42Å; Y286-E288 WeakPolarHBondContact OH-CG 3.5Å; Y286-E288 PolarHBondContact OH-OE1 2.93Å; E288-N290 PolarHBondContact O-N 2.89Å; E288-N291 PolarHBondContact N-O 2.99Å; E288-N291 PolarHBondContact O-N 3.38Å; E288-V293 HydrophobicContact CB-CG2 3.93Å; E288-V293 HydrophobicContact CG-CG2 3.9Å; E288-N326 WeakPolarHBondContact OE2-CB 3.4Å; E288-N326 PolarHBondContact OE2-ND2 3.28Å; E288-R329 IonicContact OE1-CZ 3.45Å; E288-R329 IonicContact OE1-NE 3.32Å; E288-R329 PolarHBondContact OE1-NE 3.04Å; E288-R329 IonicContact OE1-NH2 3.7Å; E288-R329 PolarHBondContact OE1-NH2 2.93Å; E288-R329 IonicContact OE2-CZ 3.04Å; E288-R329 IonicContact OE2-NE 3.59Å; E288-R329 PolarHBondContact OE2-NE 2.88Å; E288-R329 IonicContact OE2-NH2 2.74Å; E288-R329 PolarHBondContact OE2-NH2 2.98Å; E288-I333 HydrophobicContact CB-CD1 4.1Å; E288-I333 HydrophobicContact CB-CG2 4.21Å; E288-I333 VanDerWaalsContact CD-CG2 3.46Å; E288-I333 HydrophobicContact CG-CG2 3.81Å; E288-I333 WeakPolarHBondContact OE2-CG2 3.33Å; E288-R337 WeakPolarHBondContact OE1-CD 3.45Å; E288-R337 IonicContact OE1-CZ 3.12Å; E288-R337 IonicContact OE1-NE 2.76Å; E288-R337 IonicContact OE1-NH1 3.85Å; E288-R337 PolarHBondContact OE1-NH1 2.85Å; E288-P443 VanDerWaalsContact CA-O 3.3Å; E288-P443 WeakPolarHBondContact CA-O 3.18Å
289L98.3Very high96.1Very high47 Ų4747.1 Ų47.125%0.24625%0.246CC..THydrogen-bonded Turntrans56.2-122.2-166.6-57168.3000111.1I333 T440 T442 W445L289-I333 HydrophobicContact CD1-CD1 3.98Å; L289-I333 HydrophobicContact CG-CD1 4.13Å; L289-T440 CarbonylContact C-O 3.47Å; L289-T440 WeakPolarHBondContact CA-O 3.25Å; L289-T440 WeakPolarHBondContact CB-O 3.41Å; L289-T442 WeakPolarHBondContact CA-O 3.49Å; L289-T442 PolarHBondContact N-O 3.26Å; L289-W445 PolarHBondContact O-NE1 2.97Å
290N97.5Very high96.1Very high114 Ų11444.8 Ų44.861%0.6123%0.23SC*.THydrogen-bonded Turntrans-933.2175.964.6-29.2000113.7E288 T440E288-N290 PolarHBondContact O-N 2.89Å; N290-T440 HydrophobicContact CB-CG2 4.34Å
291N97.6Very high96Very high60 Ų6042.2 Ų42.232%0.32122%0.219SC..EExtended strand (participates in β ladder)trans-97.8128-177.5-63.9-71.9000110.7Y287 E288Y287-N291 CarbonylContact C-O 3.48Å; Y287-N291 VanDerWaalsContact CA-O 3.25Å; Y287-N291 WeakPolarHBondContact CA-O 3.37Å; E288-N291 PolarHBondContact N-O 2.99Å; E288-N291 PolarHBondContact O-N 3.38Å
292R98.1Very high95.8Very high142 Ų14243.3 Ų43.354%0.53623%0.228SC..EExtended strand (participates in β ladder)trans-68.5133167.4-178178.1173.9-149.92109.2V285 Y287 A296V285-R292 HydrophobicContact CG1-CG 3.73Å; Y287-R292 HydrophobicContact CD1-CB 4.07Å; Y287-R292 HydrophobicContact CE1-CB 3.7Å; Y287-R292 HydrophobicContact CE1-CG 4.34Å; R292-A296 VanDerWaalsContact NH2-N 3.18Å
293V98.2Very high95.5Very high4 Ų444.2 Ų44.22%0.02424%0.235CC..  trans-127.1118.9-178178.20000109.8Y286 E288 L324 N326Y286-V293 HydrophobicContact CD1-CB 3.74Å; Y286-V293 HydrophobicContact CD1-CG1 4.01Å; Y286-V293 HydrophobicContact CE1-CB 3.96Å; Y286-V293 HydrophobicContact CE1-CG1 4Å; Y286-V293 PolarHBondContact O-N 3.45Å; E288-V293 HydrophobicContact CB-CG2 3.93Å; E288-V293 HydrophobicContact CG-CG2 3.9Å; V293-L324 HydrophobicContact CG1-CB 3.99Å; V293-N326 HydrophobicContact CG1-CB 4.02Å; V293-N326 HydrophobicContact CG2-CB 3.99Å
294G95.6Very high95.4Very high38 Ų3843.6 Ų43.639%0.39223%0.23SC..SBendtrans79.8-177.8-177.700000114.3
295E94Very high95.3Very high166 Ų16645.7 Ų45.778%0.77624%0.241SC*.PPolyproline II helixtrans-80.8162.5178.4-64.2-173.8165.400112.1Y297E295-Y297 PolarHBondContact O-N 3.36Å
296A95.8Very high95.2Very high26 Ų2645.1 Ų45.122%0.21524%0.238CC..PPolyproline II helixtrans-73.7126.7172.100000109.3V285 R292 H298V285-A296 HydrophobicContact CG2-CB 3.98Å; R292-A296 VanDerWaalsContact NH2-N 3.18Å; A296-H298 PolarHBondContact O-CE1 2.87Å; A296-H298 PolarHBondContact O-ND1 2.88Å
297Y95.3Very high95.2Very high31 Ų3145.1 Ų45.112%0.12224%0.238CC..EExtended strand (participates in β ladder)trans-83.4134.3173.8173.9-89000109.8S283 I284 E295 A299 V304 K316 N317 R318 F319S283-Y297 CarbonylContact C-O 3.58Å; S283-Y297 WeakPolarHBondContact CA-O 3.49Å; I284-Y297 HydrophobicContact CB-CD1 4.44Å; I284-Y297 HydrophobicContact CD1-CD1 4.08Å; I284-Y297 HydrophobicContact CD1-CE1 4.46Å; I284-Y297 HydrophobicContact CG1-CD1 4.33Å; I284-Y297 PolarHBondContact N-O 2.81Å; I284-Y297 PolarHBondContact O-N 3.07Å; E295-Y297 PolarHBondContact O-N 3.36Å; Y297-A299 HydrophobicContact CE1-CB 4.2Å; Y297-V304 HydrophobicContact CD1-CG1 4.36Å; Y297-V304 HydrophobicContact CE1-CB 4.42Å; Y297-V304 HydrophobicContact CE1-CG1 3.46Å; Y297-V304 VanDerWaalsContact CE1-CG1 3.46Å; Y297-V304 HydrophobicContact CE1-CG2 4.03Å; Y297-K316 VanDerWaalsContact OH-C 3.25Å; Y297-K316 PolarHBondContact OH-O 3.34Å; Y297-N317 WeakPolarHBondContact OH-CA 3.34Å; Y297-R318 PolarHBondContact OH-N 2.9Å; Y297-F319 HydrophobicContact CD1-CB 4.16Å; Y297-F319 HydrophobicContact CD1-CD1 4.47Å; Y297-F319 HydrophobicContact CD1-CG 4.43Å; Y297-F319 HydrophobicContact CD2-CB 3.81Å; Y297-F319 HydrophobicContact CD2-CD2 4.17Å; Y297-F319 HydrophobicContact CD2-CG 4.01Å; Y297-F319 HydrophobicContact CE1-CB 4.43Å; Y297-F319 HydrophobicContact CE2-CB 4.11Å; Y297-F319 HydrophobicContact CG-CB 3.82Å; Y297-F319 HydrophobicContact CG-CD1 4.06Å; Y297-F319 HydrophobicContact CG-CD2 4.23Å; Y297-F319 AromaticContact CG-CG 3.79Å; Y297-F319 HydrophobicContact CG-CG 3.79Å
298H94.9Very high95.1Very high95 Ų9543.9 Ų43.944%0.4424%0.239SC..EExtended strand (participates in β ladder)trans-113.3119.2-178.7-63.878.4000109.7A296 S300A296-H298 PolarHBondContact O-CE1 2.87Å; A296-H298 PolarHBondContact O-ND1 2.88Å; H298-S300 PolarHBondContact O-N 3.5Å
299A93.1Very high95Very high0 Ų048.5 Ų48.50%026%0.259CS..EExtended strand (participates in β ladder)trans-80.8104.5-174.500000110.8H280 W281 C282 Y297 V304H280-A299 VanDerWaalsContact CA-O 3.29Å; H280-A299 WeakPolarHBondContact CA-O 3.48Å; H280-A299 WeakPolarHBondContact CB-O 3.4Å; H280-A299 PolarHBondContact ND1-O 2.86Å; W281-A299 HydrophobicContact CZ2-CB 4.35Å; W281-A299 PolarHBondContact N-O 2.77Å; C282-A299 PolarHBondContact O-N 2.8Å; C282-A299 VanDerWaalsContact SG-CB 3.55Å; Y297-A299 HydrophobicContact CE1-CB 4.2Å; A299-V304 HydrophobicContact CB-CG2 3.63Å
300S84.8Confident94.8Very high59 Ų5950.7 Ų50.741%0.41327%0.274SS..  trans-84.6-25.817058.50000113.2H280 H298H280-S300 WeakPolarHBondContact ND1-CA 3.3Å; H280-S300 PolarHBondContact ND1-N 3.28Å; H298-S300 PolarHBondContact O-N 3.5Å
301S89.4Confident94.2Very high9 Ų947.3 Ų47.36%0.06326%0.256CS..SBendtrans-95.3143.7175.7165.90000109.9W281 S303 N317W281-S301 PolarHBondContact NE1-O 2.65Å; S301-S303 PolarHBondContact O-N 3.26Å; S301-S303 VanDerWaalsContact O-N 3.09Å; S301-S303 PolarHBondContact OG-N 3.45Å; S301-S303 VanDerWaalsContact OG-N 3.08Å; S301-S303 PolarHBondContact OG-O 2.99Å; S301-N317 WeakPolarHBondContact CB-OD1 3.32Å
302T90.3Very high92.8Very high46 Ų4650.2 Ų50.228%0.28228%0.278SS..SBendtrans-64.7-6.9172.254.30000113.3Y347 Y348T302-Y347 CarbonylContact O-C 3.15Å; T302-Y347 VanDerWaalsContact O-CA 3.22Å; T302-Y347 WeakPolarHBondContact O-CA 3.11Å; T302-Y348 WeakPolarHBondContact CB-O 3.23Å; T302-Y348 HydrophobicContact CG2-CD1 4.24Å; T302-Y348 PolarHBondContact O-N 2.85Å
303S92.8Very high91.6Very high20 Ų2046.5 Ų46.514%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-132.9117.5179.7169.80000110S301 H345S301-S303 PolarHBondContact O-N 3.26Å; S301-S303 VanDerWaalsContact O-N 3.09Å; S301-S303 PolarHBondContact OG-N 3.45Å; S301-S303 VanDerWaalsContact OG-N 3.08Å; S301-S303 PolarHBondContact OG-O 2.99Å; S303-H345 PolarHBondContact OG-NE2 3.36Å
304V94.7Very high90.2Very high0 Ų053.6 Ų53.60%031%0.312CS..EExtended strand (participates in β ladder)trans-130.1129.5-174.7176.20000111.2W281 I284 Y297 A299 V306 N317 H345 L346W281-V304 HydrophobicContact CZ2-CG2 4.46Å; I284-V304 HydrophobicContact CD1-CG1 4.12Å; Y297-V304 HydrophobicContact CD1-CG1 4.36Å; Y297-V304 HydrophobicContact CE1-CB 4.42Å; Y297-V304 HydrophobicContact CE1-CG1 3.46Å; Y297-V304 VanDerWaalsContact CE1-CG1 3.46Å; Y297-V304 HydrophobicContact CE1-CG2 4.03Å; A299-V304 HydrophobicContact CB-CG2 3.63Å; V304-V306 HydrophobicContact CG1-CG2 4.25Å; V304-N317 WeakPolarHBondContact CA-O 3.35Å; V304-H345 PolarHBondContact O-CD2 3.38Å; V304-L346 PolarHBondContact N-O 3.46Å; V304-L346 PolarHBondContact O-N 2.77Å
305L96Very high89.4Confident45 Ų4554.8 Ų54.824%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-99122.2172.3-177.465000110.5D307 N317 R318 F319 K342 H345 L358L305-D307 WeakPolarHBondContact CD2-OD2 3.44Å; L305-D307 HydrophobicContact CG-CB 4.26Å; L305-N317 PolarHBondContact N-O 3.48Å; L305-R318 HydrophobicContact CB-CG 4.31Å; L305-R318 HydrophobicContact CD2-CG 4.41Å; L305-R318 CarbonylContact O-C 3.53Å; L305-R318 VanDerWaalsContact O-CA 3.3Å; L305-R318 WeakPolarHBondContact O-CA 3.47Å; L305-F319 PolarHBondContact O-N 3.23Å; L305-K342 WeakPolarHBondContact CD1-O 3.29Å; L305-H345 HydrophobicContact CD1-CB 4.32Å; L305-L358 HydrophobicContact CD1-CD1 3.73Å
306V97.9Very high88.8Confident0 Ų053.4 Ų53.40%030%0.301CS..EExtended strand (participates in β ladder)trans-107.5114.5171.7-172.70000108.4I284 V304 F319 L321 G343 V344 L346 F426 I446I284-V306 HydrophobicContact CD1-CG2 3.75Å; V304-V306 HydrophobicContact CG1-CG2 4.25Å; V306-F319 WeakPolarHBondContact CA-O 3.29Å; V306-F319 HydrophobicContact CG1-CB 4.37Å; V306-F319 HydrophobicContact CG1-CD1 4.01Å; V306-F319 HydrophobicContact CG1-CG 4.45Å; V306-F319 HydrophobicContact CG2-CB 4.22Å; V306-F319 HydrophobicContact CG2-CD1 4.38Å; V306-L321 HydrophobicContact CG1-CD1 3.86Å; V306-L321 HydrophobicContact CG1-CD2 4.09Å; V306-L321 HydrophobicContact CG1-CG 3.94Å; V306-G343 CarbonylContact O-C 3.45Å; V306-G343 VanDerWaalsContact O-CA 3.3Å; V306-G343 WeakPolarHBondContact O-CA 3.22Å; V306-V344 HydrophobicContact CB-CG1 3.89Å; V306-V344 HydrophobicContact CG2-CG1 4.42Å; V306-V344 PolarHBondContact N-O 3.1Å; V306-V344 PolarHBondContact O-N 3.02Å; V306-L346 HydrophobicContact CG2-CD1 4.44Å; V306-F426 HydrophobicContact CG1-CZ 4.08Å; V306-I446 HydrophobicContact CG1-CD1 4.31Å; V306-I446 HydrophobicContact CG2-CD1 4.35Å
307D97.8Very high88.4Confident0 Ų054.6 Ų54.60%030%0.304CS..EExtended strand (participates in β ladder)trans-139.2170.2-1707640.2000114.5L305 F309 R318 F319 L321 G341 K342L305-D307 WeakPolarHBondContact CD2-OD2 3.44Å; L305-D307 HydrophobicContact CG-CB 4.26Å; D307-F309 VanDerWaalsContact C-N 3.35Å; D307-F309 HydrophobicContact CB-CD2 4.12Å; D307-F309 WeakPolarHBondContact OD1-CB 3.48Å; D307-F309 PolarHBondContact OD1-N 3.32Å; D307-R318 IonicContact OD1-NE 3.44Å; D307-R318 IonicContact OD1-NH2 3.85Å; D307-R318 PolarHBondContact OD1-NH2 3.41Å; D307-R318 IonicContact OD2-CZ 2.7Å; D307-R318 IonicContact OD2-NE 3.55Å; D307-R318 PolarHBondContact OD2-NE 3.27Å; D307-R318 IonicContact OD2-NH2 3.8Å; D307-R318 PolarHBondContact OD2-NH2 3.12Å; D307-F319 PolarHBondContact N-O 2.82Å; D307-L321 WeakPolarHBondContact O-CB 3.41Å; D307-L321 WeakPolarHBondContact O-CG 3.41Å; D307-L321 PolarHBondContact O-N 2.84Å; D307-G341 WeakPolarHBondContact CB-O 3.31Å; D307-K342 WeakPolarHBondContact CB-O 3.41Å
308G97.4Very high88.3Confident19 Ų1956 Ų5620%0.19631%0.309CS..SBendtrans-90.27.4-17700000114.5G322 I340 G341G308-G322 WeakPolarHBondContact O-CA 3.23Å; G308-I340 VanDerWaalsContact N-CG2 3.35Å; G308-G341 PolarHBondContact N-O 2.79Å
309F96.1Very high88.3Confident97 Ų9752.2 Ų52.243%0.42529%0.291SS..SBendtrans-88.4-175.4-176.5-59.2-61.3000111.6D307 R318 C320 G322 G341 K342D307-F309 VanDerWaalsContact C-N 3.35Å; D307-F309 HydrophobicContact CB-CD2 4.12Å; D307-F309 WeakPolarHBondContact OD1-CB 3.48Å; D307-F309 PolarHBondContact OD1-N 3.32Å; F309-R318 VanDerWaalsContact CB-NH2 3.32Å; F309-R318 VanDerWaalsContact CD2-NH2 3.27Å; F309-C320 WeakPolarHBondContact O-CB 3.4Å; F309-G322 WeakPolarHBondContact O-CA 3.37Å; F309-G322 PolarHBondContact O-N 3.48Å; F309-G341 WeakPolarHBondContact CE2-O 3.27Å; F309-K342 HydrophobicContact CE2-CB 4.47Å; F309-K342 HydrophobicContact CE2-CG 4.06Å; F309-K342 HydrophobicContact CZ-CG 4.37Å
310T93.3Very high88.4Confident93 Ų9352.6 Ų52.657%0.57129%0.294SS*.  trans-127.535.2-16962.40000112.2P312T310-P312 WeakPolarHBondContact O-CD 3.29Å; T310-P312 VanDerWaalsContact O-N 3.09Å
311D85.3Confident89Confident44 Ų4449.8 Ų49.824%0.23527%0.274CS..  trans-64.1111.7178.6-177.6-1.7000109.7S313 R318 L323D311-S313 VanDerWaalsContact CG-OG 3.22Å; D311-S313 PolarHBondContact O-N 2.71Å; D311-S313 VanDerWaalsContact OD1-CB 3.27Å; D311-S313 WeakPolarHBondContact OD1-CB 3.31Å; D311-S313 PolarHBondContact OD1-N 3.39Å; D311-S313 PolarHBondContact OD1-OG 3.01Å; D311-S313 PolarHBondContact OD2-OG 2.92Å; D311-R318 IonicContact OD2-CZ 2.83Å; D311-R318 IonicContact OD2-NH1 2.74Å; D311-R318 PolarHBondContact OD2-NH1 3.26Å; D311-L323 VanDerWaalsContact O-CD2 3.26Å; D311-L323 WeakPolarHBondContact O-CD2 3.48Å
312P68.8Low89.3Confident120 Ų12050.5 Ų50.578%0.77928%0.282SS*.  trans-85.2-3.1-174.936.5-33.8000111.7T310T310-P312 WeakPolarHBondContact O-CD 3.29Å; T310-P312 VanDerWaalsContact O-N 3.09Å
313S72.4Confident89.5Confident65 Ų6552.1 Ų52.146%0.45529%0.289SS..SBendtrans-65.5145.217767.30000109.6D311 N315D311-S313 VanDerWaalsContact CG-OG 3.22Å; D311-S313 PolarHBondContact O-N 2.71Å; D311-S313 VanDerWaalsContact OD1-CB 3.27Å; D311-S313 WeakPolarHBondContact OD1-CB 3.31Å; D311-S313 PolarHBondContact OD1-N 3.39Å; D311-S313 PolarHBondContact OD1-OG 3.01Å; D311-S313 PolarHBondContact OD2-OG 2.92Å; S313-N315 PolarHBondContact O-N 2.97Å
314N67.9Low89.6Confident153 Ų15352.3 Ų52.382%0.81829%0.288SS*.  trans-71.949.9175.1-164.421000110.9K316N314-K316 PolarHBondContact O-N 3.42Å
315N78.9Confident89.6Confident63 Ų6357.4 Ų57.434%0.33732%0.324SS..  trans-72.998.9-179.8-177.1-10.2000108.4S313 N317 R318S313-N315 PolarHBondContact O-N 2.97Å; N315-N317 PolarHBondContact O-N 2.92Å; N315-N317 PolarHBondContact OD1-N 2.88Å; N315-R318 HydrophobicContact CB-CB 4.18Å; N315-R318 PolarHBondContact O-N 3.32Å; N315-R318 VanDerWaalsContact O-N 3.07Å
316K81.1Confident89.6Confident136 Ų13656.7 Ų56.759%0.59132%0.321SS*.THydrogen-bonded Turntrans-61.1-7.1-180-63.8-173.8179-177.80114.5Y297 N314Y297-K316 VanDerWaalsContact OH-C 3.25Å; Y297-K316 PolarHBondContact OH-O 3.34Å; N314-K316 PolarHBondContact O-N 3.42Å
317N88.3Confident89.5Confident52 Ų5263.5 Ų63.528%0.27836%0.362SS..THydrogen-bonded Turntrans-107.67.2180-58.8-6.4000112.6Y297 S301 V304 L305 N315Y297-N317 WeakPolarHBondContact OH-CA 3.34Å; S301-N317 WeakPolarHBondContact CB-OD1 3.32Å; V304-N317 WeakPolarHBondContact CA-O 3.35Å; L305-N317 PolarHBondContact N-O 3.48Å; N315-N317 PolarHBondContact O-N 2.92Å; N315-N317 PolarHBondContact OD1-N 2.88Å
318R93.1Very high89.4Confident60 Ų6068.6 Ų68.623%0.22639%0.389CS..EExtended strand (participates in β ladder)trans-141.2121.8-173.1-168.7-177.9-179.1-171.2-1.5111.7Y297 L305 D307 F309 D311 N315 C320Y297-R318 PolarHBondContact OH-N 2.9Å; L305-R318 HydrophobicContact CB-CG 4.31Å; L305-R318 HydrophobicContact CD2-CG 4.41Å; L305-R318 CarbonylContact O-C 3.53Å; L305-R318 VanDerWaalsContact O-CA 3.3Å; L305-R318 WeakPolarHBondContact O-CA 3.47Å; D307-R318 IonicContact OD1-NE 3.44Å; D307-R318 IonicContact OD1-NH2 3.85Å; D307-R318 PolarHBondContact OD1-NH2 3.41Å; D307-R318 IonicContact OD2-CZ 2.7Å; D307-R318 IonicContact OD2-NE 3.55Å; D307-R318 PolarHBondContact OD2-NE 3.27Å; D307-R318 IonicContact OD2-NH2 3.8Å; D307-R318 PolarHBondContact OD2-NH2 3.12Å; F309-R318 VanDerWaalsContact CB-NH2 3.32Å; F309-R318 VanDerWaalsContact CD2-NH2 3.27Å; D311-R318 IonicContact OD2-CZ 2.83Å; D311-R318 IonicContact OD2-NH1 2.74Å; D311-R318 PolarHBondContact OD2-NH1 3.26Å; N315-R318 HydrophobicContact CB-CB 4.18Å; N315-R318 PolarHBondContact O-N 3.32Å; N315-R318 VanDerWaalsContact O-N 3.07Å; R318-C320 PolarHBondContact NE-SG 3.33Å
319F95.3Very high89.4Confident16 Ų1670.3 Ų70.37%0.0739%0.39CS..EExtended strand (participates in β ladder)trans-103.5100.9174.3-174.3-160000110.3I284 Y297 L305 V306 D307 L321 L324I284-F319 HydrophobicContact CB-CD1 4.2Å; I284-F319 HydrophobicContact CB-CE1 4.28Å; I284-F319 HydrophobicContact CG2-CD1 3.95Å; I284-F319 HydrophobicContact CG2-CE1 3.94Å; Y297-F319 HydrophobicContact CD1-CB 4.16Å; Y297-F319 HydrophobicContact CD1-CD1 4.47Å; Y297-F319 HydrophobicContact CD1-CG 4.43Å; Y297-F319 HydrophobicContact CD2-CB 3.81Å; Y297-F319 HydrophobicContact CD2-CD2 4.17Å; Y297-F319 HydrophobicContact CD2-CG 4.01Å; Y297-F319 HydrophobicContact CE1-CB 4.43Å; Y297-F319 HydrophobicContact CE2-CB 4.11Å; Y297-F319 HydrophobicContact CG-CB 3.82Å; Y297-F319 HydrophobicContact CG-CD1 4.06Å; Y297-F319 HydrophobicContact CG-CD2 4.23Å; Y297-F319 AromaticContact CG-CG 3.79Å; Y297-F319 HydrophobicContact CG-CG 3.79Å; L305-F319 PolarHBondContact O-N 3.23Å; V306-F319 WeakPolarHBondContact CA-O 3.29Å; V306-F319 HydrophobicContact CG1-CB 4.37Å; V306-F319 HydrophobicContact CG1-CD1 4.01Å; V306-F319 HydrophobicContact CG1-CG 4.45Å; V306-F319 HydrophobicContact CG2-CB 4.22Å; V306-F319 HydrophobicContact CG2-CD1 4.38Å; D307-F319 PolarHBondContact N-O 2.82Å; F319-L321 HydrophobicContact CD1-CD2 4.06Å; F319-L321 HydrophobicContact CD2-CD2 4.33Å; F319-L321 HydrophobicContact CE1-CD2 3.78Å; F319-L321 HydrophobicContact CE2-CD2 4.06Å; F319-L321 HydrophobicContact CG-CD2 4.33Å; F319-L321 HydrophobicContact CZ-CD2 3.78Å; F319-L321 PolarHBondContact O-N 2.56Å; F319-L324 HydrophobicContact CE2-CD1 4.07Å; F319-L324 HydrophobicContact CZ-CD1 4.18Å
320C95.8Very high89.5Confident8 Ų869 Ų695%0.05439%0.387CS..EExtended strand (participates in β ladder)trans-88.3107.2-177.1-69.10000111.2F309 R318 G322 L323F309-C320 WeakPolarHBondContact O-CB 3.4Å; R318-C320 PolarHBondContact NE-SG 3.33Å; C320-G322 VanDerWaalsContact C-N 3.32Å; C320-L323 HydrophobicContact CB-CD2 3.69Å; C320-L323 HydrophobicContact CB-CG 3.89Å; C320-L323 VanDerWaalsContact O-CD1 3.31Å; C320-L323 WeakPolarHBondContact O-CD1 3.31Å; C320-L323 WeakPolarHBondContact O-CG 3.17Å
321L96.9Very high89.7Confident0 Ų068.2 Ų68.20%039%0.385CS..SBendtrans-74.9-24.9179.2-55-178.8000112Y286 V306 D307 F319 L323 L324 R337 I340 F426Y286-L321 HydrophobicContact CD1-CD2 4.2Å; Y286-L321 HydrophobicContact CD2-CD1 3.76Å; Y286-L321 HydrophobicContact CD2-CD2 3.85Å; Y286-L321 HydrophobicContact CD2-CG 4.34Å; Y286-L321 HydrophobicContact CE2-CD1 3.82Å; Y286-L321 HydrophobicContact CE2-CD2 4.48Å; Y286-L321 HydrophobicContact CG-CD1 4.44Å; Y286-L321 HydrophobicContact CG-CD2 3.68Å; V306-L321 HydrophobicContact CG1-CD1 3.86Å; V306-L321 HydrophobicContact CG1-CD2 4.09Å; V306-L321 HydrophobicContact CG1-CG 3.94Å; D307-L321 WeakPolarHBondContact O-CB 3.41Å; D307-L321 WeakPolarHBondContact O-CG 3.41Å; D307-L321 PolarHBondContact O-N 2.84Å; F319-L321 HydrophobicContact CD1-CD2 4.06Å; F319-L321 HydrophobicContact CD2-CD2 4.33Å; F319-L321 HydrophobicContact CE1-CD2 3.78Å; F319-L321 HydrophobicContact CE2-CD2 4.06Å; F319-L321 HydrophobicContact CG-CD2 4.33Å; F319-L321 HydrophobicContact CZ-CD2 3.78Å; F319-L321 PolarHBondContact O-N 2.56Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 2.83Å; L321-L324 HydrophobicContact CD2-CD1 3.97Å; L321-L324 WeakPolarHBondContact O-CB 3.22Å; L321-L324 PolarHBondContact O-N 2.97Å; L321-L324 VanDerWaalsContact O-N 3.15Å; L321-R337 VanDerWaalsContact O-CZ 3.26Å; L321-R337 PolarHBondContact O-NH1 2.88Å; L321-R337 PolarHBondContact O-NH2 2.87Å; L321-I340 HydrophobicContact CD1-CD1 4.05Å; L321-F426 HydrophobicContact CD1-CD2 4.4Å; L321-F426 HydrophobicContact CD1-CE2 3.66Å; L321-F426 HydrophobicContact CD1-CZ 4Å
322G95.9Very high90.3Very high23 Ų2369.1 Ų69.124%0.23739%0.393CS..THydrogen-bonded Turntrans-61.9-30.3-17400000114.1G308 F309 C320 R337G308-G322 WeakPolarHBondContact O-CA 3.23Å; F309-G322 WeakPolarHBondContact O-CA 3.37Å; F309-G322 PolarHBondContact O-N 3.48Å; C320-G322 VanDerWaalsContact C-N 3.32Å; G322-R337 VanDerWaalsContact C-NH2 3.27Å; G322-R337 VanDerWaalsContact CA-NH2 3.29Å; G322-R337 PolarHBondContact O-NH2 2.97Å
323L93.1Very high91.8Very high80 Ų8063.5 Ų63.542%0.41936%0.356SS..THydrogen-bonded Turntrans-86.6-7.8-1804981.1000114.2D311 C320 L321D311-L323 VanDerWaalsContact O-CD2 3.26Å; D311-L323 WeakPolarHBondContact O-CD2 3.48Å; C320-L323 HydrophobicContact CB-CD2 3.69Å; C320-L323 HydrophobicContact CB-CG 3.89Å; C320-L323 VanDerWaalsContact O-CD1 3.31Å; C320-L323 WeakPolarHBondContact O-CD1 3.31Å; C320-L323 WeakPolarHBondContact O-CG 3.17Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 2.83Å
324L95.3Very high93Very high24 Ų2465.1 Ų65.113%0.12636%0.356CS..  trans-76.3126.6177.8-56.2178.5000110.9Y286 V293 F319 L321 R329 R337Y286-L324 HydrophobicContact CD1-CD1 3.58Å; Y286-L324 HydrophobicContact CE1-CD1 4.29Å; Y286-L324 HydrophobicContact CG-CD1 4.23Å; V293-L324 HydrophobicContact CG1-CB 3.99Å; F319-L324 HydrophobicContact CE2-CD1 4.07Å; F319-L324 HydrophobicContact CZ-CD1 4.18Å; L321-L324 HydrophobicContact CD2-CD1 3.97Å; L321-L324 WeakPolarHBondContact O-CB 3.22Å; L321-L324 PolarHBondContact O-N 2.97Å; L321-L324 VanDerWaalsContact O-N 3.15Å; L324-R329 PolarHBondContact O-NH1 2.88Å; L324-R329 PolarHBondContact O-NH2 3.13Å; L324-R337 PolarHBondContact O-NH2 2.74Å
325S95.1Very high94.4Very high108 Ų10861.1 Ų61.176%0.75534%0.335SS*.  trans-90.8145.4177.2-65.70000111.5
326N96.1Very high95.3Very high30 Ų3058.3 Ų58.316%0.1632%0.32CS..  trans-148.5121.5171.7177.613.4000108.7E288 V293 N328 R329E288-N326 WeakPolarHBondContact OE2-CB 3.4Å; E288-N326 PolarHBondContact OE2-ND2 3.28Å; V293-N326 HydrophobicContact CG1-CB 4.02Å; V293-N326 HydrophobicContact CG2-CB 3.99Å; N326-N328 VanDerWaalsContact C-N 3.29Å; N326-N328 PolarHBondContact O-N 2.83Å; N326-N328 PolarHBondContact OD1-N 2.79Å; N326-R329 HydrophobicContact CB-CB 4.23Å; N326-R329 VanDerWaalsContact O-CB 3.23Å; N326-R329 WeakPolarHBondContact O-CB 3.34Å; N326-R329 PolarHBondContact O-N 2.74Å
327V96.4Very high96.1Very high142 Ų14252.9 Ų52.986%0.86130%0.296SS*.THydrogen-bonded Turntrans-72.9-23.5-179.3-62.40000112.8R329V327-R329 PolarHBondContact O-N 2.76Å
328N95.1Very high96.6Very high108 Ų10857.6 Ų57.658%0.57831%0.31SS*.THydrogen-bonded Turntrans-89.410.6179.2-62.6-34.2000112.5N326 N330N326-N328 VanDerWaalsContact C-N 3.29Å; N326-N328 PolarHBondContact O-N 2.83Å; N326-N328 PolarHBondContact OD1-N 2.79Å; N328-N330 PolarHBondContact O-N 2.83Å
329R97.7Very high96.8Very high55 Ų5559.4 Ų59.421%0.20832%0.32CS..  trans-70.8126.5-176.6-171.8175.7-69.5152.2-1.9110.4E288 L324 N326 V327 I333 E334 R337E288-R329 IonicContact OE1-CZ 3.45Å; E288-R329 IonicContact OE1-NE 3.32Å; E288-R329 PolarHBondContact OE1-NE 3.04Å; E288-R329 IonicContact OE1-NH2 3.7Å; E288-R329 PolarHBondContact OE1-NH2 2.93Å; E288-R329 IonicContact OE2-CZ 3.04Å; E288-R329 IonicContact OE2-NE 3.59Å; E288-R329 PolarHBondContact OE2-NE 2.88Å; E288-R329 IonicContact OE2-NH2 2.74Å; E288-R329 PolarHBondContact OE2-NH2 2.98Å; L324-R329 PolarHBondContact O-NH1 2.88Å; L324-R329 PolarHBondContact O-NH2 3.13Å; N326-R329 HydrophobicContact CB-CB 4.23Å; N326-R329 VanDerWaalsContact O-CB 3.23Å; N326-R329 WeakPolarHBondContact O-CB 3.34Å; N326-R329 PolarHBondContact O-N 2.74Å; V327-R329 PolarHBondContact O-N 2.76Å; R329-I333 HydrophobicContact CG-CB 3.85Å; R329-I333 HydrophobicContact CG-CG2 3.68Å; R329-E334 HydrophobicContact CG-CG 3.79Å; R329-R337 VanDerWaalsContact CZ-NE 3.29Å; R329-R337 VanDerWaalsContact NH2-CZ 3.3Å
330N97.9Very high97Very high68 Ų6858.7 Ų58.736%0.36432%0.317SS..  trans-101.4170.3174.969.242.9000112.1N328 T332 I333 E334N328-N330 PolarHBondContact O-N 2.83Å; N330-T332 VanDerWaalsContact C-N 3.25Å; N330-T332 PolarHBondContact O-N 2.83Å; N330-T332 WeakPolarHBondContact OD1-CB 3.21Å; N330-T332 PolarHBondContact OD1-N 3.19Å; N330-I333 WeakPolarHBondContact O-CB 3.41Å; N330-I333 PolarHBondContact O-N 2.84Å; N330-I333 PolarHBondContact OD1-N 3.08Å; N330-E334 PolarHBondContact O-N 3Å
331S98.1Very high97Very high77 Ų7759.2 Ų59.254%0.53833%0.325SS..Hα-helixtrans-58.5-32.1-177.461.40000113.9N335S331-N335 VanDerWaalsContact O-CB 3.29Å; S331-N335 WeakPolarHBondContact O-CB 3.44Å; S331-N335 VanDerWaalsContact O-CG 3.24Å; S331-N335 PolarHBondContact O-N 3.23Å; S331-N335 PolarHBondContact O-ND2 2.93Å
332T97.9Very high97Very high64 Ų6464.9 Ų64.939%0.39335%0.349SS..Hα-helixtrans-68.6-39.7177-62.60000111.2N330 T336 P443N330-T332 VanDerWaalsContact C-N 3.25Å; N330-T332 PolarHBondContact O-N 2.83Å; N330-T332 WeakPolarHBondContact OD1-CB 3.21Å; N330-T332 PolarHBondContact OD1-N 3.19Å; T332-T336 WeakPolarHBondContact O-CB 3.32Å; T332-T336 PolarHBondContact O-N 3.04Å; T332-T336 PolarHBondContact O-OG1 3.28Å; T332-P443 HydrophobicContact CG2-CB 4.44Å; T332-P443 HydrophobicContact CG2-CG 3.87Å
333I98.4Very high97.1Very high2 Ų263.8 Ų63.81%0.0134%0.338CS..Hα-helixtrans-66.3-47.6174.6-62.9163.2000110.1E288 L289 R329 N330 N335 T336 R337 P443E288-I333 HydrophobicContact CB-CD1 4.1Å; E288-I333 HydrophobicContact CB-CG2 4.21Å; E288-I333 VanDerWaalsContact CD-CG2 3.46Å; E288-I333 HydrophobicContact CG-CG2 3.81Å; E288-I333 WeakPolarHBondContact OE2-CG2 3.33Å; L289-I333 HydrophobicContact CD1-CD1 3.98Å; L289-I333 HydrophobicContact CG-CD1 4.13Å; R329-I333 HydrophobicContact CG-CB 3.85Å; R329-I333 HydrophobicContact CG-CG2 3.68Å; N330-I333 WeakPolarHBondContact O-CB 3.41Å; N330-I333 PolarHBondContact O-N 2.84Å; N330-I333 PolarHBondContact OD1-N 3.08Å; I333-N335 VanDerWaalsContact C-N 3.31Å; I333-N335 PolarHBondContact O-N 3.09Å; I333-T336 PolarHBondContact O-N 2.76Å; I333-R337 HydrophobicContact CG2-CG 4.22Å; I333-R337 VanDerWaalsContact O-CG 3.32Å; I333-R337 WeakPolarHBondContact O-CG 3.29Å; I333-R337 PolarHBondContact O-N 2.94Å; I333-P443 HydrophobicContact CB-CB 4.4Å; I333-P443 HydrophobicContact CG1-CB 3.87Å
334E97.9Very high97.3Very high98 Ų9860 Ų6046%0.45832%0.318SS..Hα-helixtrans-57.7-43.4176.8-66.6-176153.700112.5R329 N330 T336 R337 R338R329-E334 HydrophobicContact CG-CG 3.79Å; N330-E334 PolarHBondContact O-N 3Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 3.13Å; E334-R337 PolarHBondContact O-N 2.9Å; E334-R338 PolarHBondContact O-N 3.03Å
335N97.7Very high97.4Very high69 Ų6959.9 Ų59.937%0.36932%0.317SS..Hα-helixtrans-59.4-44.4174.1-81-44.6000111.8S331 I333 R338 H339S331-N335 VanDerWaalsContact O-CB 3.29Å; S331-N335 WeakPolarHBondContact O-CB 3.44Å; S331-N335 VanDerWaalsContact O-CG 3.24Å; S331-N335 PolarHBondContact O-N 3.23Å; S331-N335 PolarHBondContact O-ND2 2.93Å; I333-N335 VanDerWaalsContact C-N 3.31Å; I333-N335 PolarHBondContact O-N 3.09Å; N335-R338 PolarHBondContact O-N 2.66Å; N335-R338 PolarHBondContact OD1-NH1 2.59Å; N335-R338 PolarHBondContact OD1-NH2 3.35Å; N335-H339 PolarHBondContact O-ND1 3.09Å
336T98.4Very high97.6Very high4 Ų454.8 Ų54.83%0.02528%0.281CS..Hα-helixtrans-66.6-44.8-179.1-58.80000111.2T332 I333 E334 R338 H339 I340 V427 P443 C444T332-T336 WeakPolarHBondContact O-CB 3.32Å; T332-T336 PolarHBondContact O-N 3.04Å; T332-T336 PolarHBondContact O-OG1 3.28Å; I333-T336 PolarHBondContact O-N 2.76Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 3.13Å; T336-R338 VanDerWaalsContact C-N 3.27Å; T336-R338 PolarHBondContact O-N 3.46Å; T336-H339 PolarHBondContact O-N 3.26Å; T336-I340 PolarHBondContact O-N 2.99Å; T336-V427 HydrophobicContact CG2-CB 3.91Å; T336-V427 HydrophobicContact CG2-CG2 3.78Å; T336-P443 HydrophobicContact CG2-CB 4.08Å; T336-P443 HydrophobicContact CG2-CG 4.41Å; T336-C444 HydrophobicContact CG2-CB 3.92Å
337R98.4Very high97.6Very high22 Ų2254 Ų548%0.08328%0.276CS..Hα-helixtrans-56-39.1178.2-71.7170.959.674.8-1.9113Y286 E288 L321 G322 L324 R329 I333 E334 H339 I340 C444Y286-R337 PolarHBondContact OH-NH1 3.46Å; E288-R337 WeakPolarHBondContact OE1-CD 3.45Å; E288-R337 IonicContact OE1-CZ 3.12Å; E288-R337 IonicContact OE1-NE 2.76Å; E288-R337 IonicContact OE1-NH1 3.85Å; E288-R337 PolarHBondContact OE1-NH1 2.85Å; L321-R337 VanDerWaalsContact O-CZ 3.26Å; L321-R337 PolarHBondContact O-NH1 2.88Å; L321-R337 PolarHBondContact O-NH2 2.87Å; G322-R337 VanDerWaalsContact C-NH2 3.27Å; G322-R337 VanDerWaalsContact CA-NH2 3.29Å; G322-R337 PolarHBondContact O-NH2 2.97Å; L324-R337 PolarHBondContact O-NH2 2.74Å; R329-R337 VanDerWaalsContact CZ-NE 3.29Å; R329-R337 VanDerWaalsContact NH2-CZ 3.3Å; I333-R337 HydrophobicContact CG2-CG 4.22Å; I333-R337 VanDerWaalsContact O-CG 3.32Å; I333-R337 WeakPolarHBondContact O-CG 3.29Å; I333-R337 PolarHBondContact O-N 2.94Å; E334-R337 PolarHBondContact O-N 2.9Å; R337-H339 PolarHBondContact O-N 2.94Å; R337-I340 HydrophobicContact CG-CD1 4.44Å; R337-I340 WeakPolarHBondContact O-CB 3.48Å; R337-I340 PolarHBondContact O-N 2.69Å; R337-C444 VanDerWaalsContact CG-SG 3.51Å
338R97.8Very high97.5Very high152 Ų15248.3 Ų48.357%0.57424%0.239SC*.Hα-helixtrans-60.8-28.3175.9-79.5-174.9-98.6108.9-4.5113.7E334 N335 T336E334-R338 PolarHBondContact O-N 3.03Å; N335-R338 PolarHBondContact O-N 2.66Å; N335-R338 PolarHBondContact OD1-NH1 2.59Å; N335-R338 PolarHBondContact OD1-NH2 3.35Å; T336-R338 VanDerWaalsContact C-N 3.27Å; T336-R338 PolarHBondContact O-N 3.46Å
339H97.9Very high97.4Very high97 Ų9743.8 Ų43.845%0.44922%0.216SC..Hα-helixtrans-94.3-4.5-178.7-65.885.7000113.4N335 T336 R337 G341 S359 T361 V427N335-H339 PolarHBondContact O-ND1 3.09Å; T336-H339 PolarHBondContact O-N 3.26Å; R337-H339 PolarHBondContact O-N 2.94Å; H339-G341 VanDerWaalsContact C-N 3.27Å; H339-G341 PolarHBondContact O-N 3.01Å; H339-S359 PolarHBondContact O-OG 3Å; H339-T361 HydrophobicContact CB-CG2 4.11Å; H339-T361 PolarHBondContact O-OG1 3.42Å; H339-V427 HydrophobicContact CB-CG1 4.25Å; H339-V427 HydrophobicContact CB-CG2 3.73Å
340I98.4Very high97Very high1 Ų141.9 Ų41.91%0.00521%0.213CC..Hα-helixtrans-59.1-45.9171.8-60.9177000108.8G308 L321 T336 R337 K342 G343 S359 F426 C444G308-I340 VanDerWaalsContact N-CG2 3.35Å; L321-I340 HydrophobicContact CD1-CD1 4.05Å; T336-I340 PolarHBondContact O-N 2.99Å; R337-I340 HydrophobicContact CG-CD1 4.44Å; R337-I340 WeakPolarHBondContact O-CB 3.48Å; R337-I340 PolarHBondContact O-N 2.69Å; I340-K342 PolarHBondContact O-N 3.04Å; I340-G343 WeakPolarHBondContact O-CA 3.38Å; I340-G343 PolarHBondContact O-N 3.49Å; I340-S359 WeakPolarHBondContact O-CB 3.17Å; I340-S359 PolarHBondContact O-OG 3.32Å; I340-F426 HydrophobicContact CD1-CB 4.42Å; I340-F426 HydrophobicContact CD1-CD2 4.21Å; I340-F426 HydrophobicContact CD1-CG 4.28Å; I340-F426 HydrophobicContact CG1-CB 3.89Å; I340-F426 HydrophobicContact CG1-CD1 4.43Å; I340-F426 HydrophobicContact CG1-CD2 4.47Å; I340-F426 HydrophobicContact CG1-CG 4.04Å; I340-F426 HydrophobicContact CG2-CD1 3.95Å; I340-F426 HydrophobicContact CG2-CE1 4.12Å; I340-F426 HydrophobicContact CG2-CG 4.34Å; I340-C444 HydrophobicContact CD1-CB 4.24Å
341G96.6Very high96.7Very high20 Ų2038.8 Ų38.821%0.20620%0.197CC..THydrogen-bonded Turntrans57.3-126.7176.100000111.2D307 G308 F309 H339 G343D307-G341 WeakPolarHBondContact CB-O 3.31Å; G308-G341 PolarHBondContact N-O 2.79Å; F309-G341 WeakPolarHBondContact CE2-O 3.27Å; H339-G341 VanDerWaalsContact C-N 3.27Å; H339-G341 PolarHBondContact O-N 3.01Å; G341-G343 PolarHBondContact O-N 2.77Å
342K96.1Very high96.6Very high118 Ų11837 Ų3751%0.51318%0.18SC..THydrogen-bonded Turntrans-69.7-9.6174.5-59172.1-168.5148.60113.8L305 D307 F309 I340 L358L305-K342 WeakPolarHBondContact CD1-O 3.29Å; D307-K342 WeakPolarHBondContact CB-O 3.41Å; F309-K342 HydrophobicContact CE2-CB 4.47Å; F309-K342 HydrophobicContact CE2-CG 4.06Å; F309-K342 HydrophobicContact CZ-CG 4.37Å; I340-K342 PolarHBondContact O-N 3.04Å; K342-L358 HydrophobicContact CB-CB 3.8Å; K342-L358 WeakPolarHBondContact CB-O 3.23Å
343G98.1Very high96.5Very high0 Ų034.1 Ų34.10%016%0.162CC..  trans62-129.117200000114.3V306 I340 G341 L358 S359V306-G343 CarbonylContact O-C 3.45Å; V306-G343 VanDerWaalsContact O-CA 3.3Å; V306-G343 WeakPolarHBondContact O-CA 3.22Å; I340-G343 WeakPolarHBondContact O-CA 3.38Å; I340-G343 PolarHBondContact O-N 3.49Å; G341-G343 PolarHBondContact O-N 2.77Å; G343-L358 CarbonylContact O-C 3.45Å; G343-L358 PolarHBondContact O-N 3.19Å; G343-S359 PolarHBondContact O-N 2.93Å
344V98.6Very high96.5Very high0 Ų036.2 Ų36.20%017%0.171CC..EExtended strand (participates in β ladder)trans-127.3137.3-174.660.70000110.6V306 L346 A355 E356 I363 M424 F426V306-V344 HydrophobicContact CB-CG1 3.89Å; V306-V344 HydrophobicContact CG2-CG1 4.42Å; V306-V344 PolarHBondContact N-O 3.1Å; V306-V344 PolarHBondContact O-N 3.02Å; V344-L346 HydrophobicContact CG2-CD2 4.17Å; V344-L346 HydrophobicContact CG2-CG 4.41Å; V344-A355 HydrophobicContact CG2-CB 4.11Å; V344-E356 WeakPolarHBondContact CA-O 3.29Å; V344-E356 WeakPolarHBondContact CG2-O 3.11Å; V344-I363 HydrophobicContact CB-CD1 4Å; V344-I363 HydrophobicContact CG2-CD1 3.59Å; V344-M424 HydrophobicContact CB-CE 4.25Å; V344-M424 HydrophobicContact CB-SD 4.18Å; V344-M424 HydrophobicContact CG1-CE 3.61Å; V344-M424 HydrophobicContact CG1-SD 4.09Å; V344-M424 HydrophobicContact CG2-CE 3.93Å; V344-M424 HydrophobicContact CG2-SD 3.83Å; V344-F426 HydrophobicContact CB-CE1 4.34Å; V344-F426 HydrophobicContact CG1-CE1 3.8Å; V344-F426 HydrophobicContact CG1-CZ 4.02Å
345H97.8Very high96.5Very high23 Ų2331.6 Ų31.611%0.10615%0.149CC..EExtended strand (participates in β ladder)trans-100.2116.8169.6177.4-156.7000109.1S303 V304 L305 Y347 E356 L358S303-H345 PolarHBondContact OG-NE2 3.36Å; V304-H345 PolarHBondContact O-CD2 3.38Å; L305-H345 HydrophobicContact CD1-CB 4.32Å; H345-Y347 AromaticContact CE1-CD1 3.86Å; H345-E356 HydrophobicContact CB-CB 4.34Å; H345-E356 PolarHBondContact N-O 3.23Å; H345-E356 IonicContact ND1-OE2 3.45Å; H345-E356 PolarHBondContact O-N 3.1Å; H345-L358 HydrophobicContact CB-CD1 3.69Å; H345-L358 HydrophobicContact CB-CG 4.07Å
346L98.1Very high96.6Very high1 Ų130.3 Ų30.31%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-100.2127.9173.8-64.8175.1000108.7W281 I284 V304 V306 V344 Y354 A355 I392 M424 V448W281-L346 HydrophobicContact CH2-CB 4.19Å; I284-L346 HydrophobicContact CD1-CD1 3.85Å; V304-L346 PolarHBondContact N-O 3.46Å; V304-L346 PolarHBondContact O-N 2.77Å; V306-L346 HydrophobicContact CG2-CD1 4.44Å; V344-L346 HydrophobicContact CG2-CD2 4.17Å; V344-L346 HydrophobicContact CG2-CG 4.41Å; L346-Y354 WeakPolarHBondContact CA-O 3.41Å; L346-A355 HydrophobicContact CD2-CB 3.82Å; L346-I392 HydrophobicContact CD2-CD1 4Å; L346-M424 HydrophobicContact CD1-CE 4.43Å; L346-M424 HydrophobicContact CD2-CE 4.08Å; L346-V448 HydrophobicContact CD1-CG2 4.05Å
347Y95.7Very high96.6Very high13 Ų1330.1 Ų30.15%0.05114%0.14CC..EExtended strand (participates in β ladder)trans-137.4138.1175.760.4-89.7000112.3H102 T302 H345 V349 V353 Y354 E356 S389H102-Y347 HydrophobicContact CB-CD2 3.68Å; H102-Y347 HydrophobicContact CB-CE2 3.6Å; H102-Y347 HydrophobicContact CB-CG 4.45Å; H102-Y347 AromaticContact CD2-CD1 3.47Å; H102-Y347 VanDerWaalsContact CD2-CD1 3.47Å; H102-Y347 WeakPolarHBondContact CD2-CD1 3.03Å; H102-Y347 AromaticContact CD2-CD2 3.54Å; H102-Y347 AromaticContact CD2-CE1 3.39Å; H102-Y347 WeakPolarHBondContact CD2-CE1 3.3Å; H102-Y347 AromaticContact CD2-CE2 3.46Å; H102-Y347 VanDerWaalsContact CD2-CE2 3.46Å; H102-Y347 WeakPolarHBondContact CD2-CE2 3.41Å; H102-Y347 AromaticContact CD2-CG 3.55Å; H102-Y347 AromaticContact CD2-CZ 3.38Å; H102-Y347 AromaticContact CE1-CE1 3.74Å; H102-Y347 AromaticContact CE1-CZ 3.45Å; H102-Y347 VanDerWaalsContact CE1-CZ 3.45Å; H102-Y347 PolarHBondContact CE1-OH 2.9Å; H102-Y347 AromaticContact CG-CD2 3.65Å; H102-Y347 AromaticContact CG-CE2 3.3Å; H102-Y347 AromaticContact CG-CZ 3.52Å; H102-Y347 AromaticContact ND1-CE2 3.7Å; H102-Y347 AromaticContact ND1-CZ 3.55Å; H102-Y347 AromaticContact NE2-CD1 3.7Å; H102-Y347 AromaticContact NE2-CE1 3.23Å; H102-Y347 WeakPolarHBondContact NE2-CE1 3.29Å; H102-Y347 AromaticContact NE2-CE2 3.98Å; H102-Y347 AromaticContact NE2-CZ 3.39Å; T302-Y347 CarbonylContact O-C 3.15Å; T302-Y347 VanDerWaalsContact O-CA 3.22Å; T302-Y347 WeakPolarHBondContact O-CA 3.11Å; H345-Y347 AromaticContact CE1-CD1 3.86Å; Y347-V349 HydrophobicContact CD2-CG1 3.85Å; Y347-V349 HydrophobicContact CE2-CG1 3.98Å; Y347-V353 WeakPolarHBondContact O-CA 3.4Å; Y347-Y354 AromaticContact CD2-CD2 3.93Å; Y347-Y354 HydrophobicContact CD2-CD2 3.93Å; Y347-Y354 HydrophobicContact CD2-CG 4.22Å; Y347-Y354 HydrophobicContact CE1-CG 4.35Å; Y347-Y354 HydrophobicContact CE2-CD1 4.24Å; Y347-Y354 AromaticContact CE2-CD2 3.32Å; Y347-Y354 HydrophobicContact CE2-CD2 3.32Å; Y347-Y354 HydrophobicContact CE2-CE2 4.15Å; Y347-Y354 AromaticContact CE2-CG 3.39Å; Y347-Y354 HydrophobicContact CE2-CG 3.39Å; Y347-Y354 AromaticContact CZ-CD2 3.94Å; Y347-Y354 AromaticContact CZ-CG 3.47Å; Y347-Y354 VanDerWaalsContact CZ-CG 3.47Å; Y347-Y354 PolarHBondContact N-O 3.48Å; Y347-Y354 PolarHBondContact O-N 3.04Å; Y347-Y354 VanDerWaalsContact OH-CB 3.3Å; Y347-Y354 WeakPolarHBondContact OH-CB 3.11Å; Y347-Y354 WeakPolarHBondContact OH-CD1 3.49Å; Y347-E356 HydrophobicContact CE1-CB 4.33Å; Y347-S389 PolarHBondContact OH-OG 2.67Å; Y347-S389 VanDerWaalsContact OH-OG 3.12Å
348Y94.6Very high96.5Very high22 Ų2231.7 Ų31.79%0.08615%0.149CC..EExtended strand (participates in β ladder)trans-103.2119.9174.6176.5-109.8000109E277 W281 T302 E352 V353 N395E277-Y348 PolarHBondContact OE1-OH 3.32Å; W281-Y348 HydrophobicContact CD2-CG 4.42Å; W281-Y348 HydrophobicContact CE3-CG 4.44Å; T302-Y348 WeakPolarHBondContact CB-O 3.23Å; T302-Y348 HydrophobicContact CG2-CD1 4.24Å; T302-Y348 PolarHBondContact O-N 2.85Å; Y348-E352 CarbonylContact C-O 3.49Å; Y348-E352 VanDerWaalsContact CA-O 3.32Å; Y348-E352 WeakPolarHBondContact CA-O 3.43Å; Y348-V353 HydrophobicContact CD2-CG2 3.91Å; Y348-N395 PolarHBondContact OH-ND2 2.78Å
349V93.1Very high96.5Very high14 Ų1424.5 Ų24.59%0.08512%0.123CC..EExtended strand (participates in β ladder)trans-147.6128.6-179.662.80000110.3H102 E103 V131 Y347 G351 E352 Y354H102-V349 HydrophobicContact CB-CG1 4.31Å; H102-V349 WeakPolarHBondContact O-CG2 3.38Å; E103-V349 HydrophobicContact CG-CG2 4.21Å; V131-V349 HydrophobicContact CB-CG2 3.67Å; V131-V349 HydrophobicContact CG1-CG2 3.79Å; V131-V349 HydrophobicContact CG2-CG2 4.18Å; Y347-V349 HydrophobicContact CD2-CG1 3.85Å; Y347-V349 HydrophobicContact CE2-CG1 3.98Å; V349-G351 VanDerWaalsContact C-N 3.28Å; V349-G351 PolarHBondContact O-N 3.05Å; V349-E352 PolarHBondContact N-O 3.05Å; V349-E352 WeakPolarHBondContact O-CB 3.43Å; V349-E352 PolarHBondContact O-N 3.35Å; V349-Y354 HydrophobicContact CG1-CD2 4.1Å; V349-Y354 HydrophobicContact CG1-CE2 3.92Å
350G88.9Confident96.4Very high14 Ų1426.5 Ų26.514%0.14414%0.136CC..THydrogen-bonded Turntrans59.134.4174.700000114.5P134 E352P134-G350 WeakPolarHBondContact CD-O 3.45Å; G350-E352 VanDerWaalsContact C-N 3.31Å; G350-E352 PolarHBondContact O-N 2.87Å
351G91.7Very high96.4Very high4 Ų428 Ų284%0.04115%0.146CC..THydrogen-bonded Turntrans77.411.2-175.500000115.1S133 V349 N395S133-G351 PolarHBondContact OG-N 2.62Å; V349-G351 VanDerWaalsContact C-N 3.28Å; V349-G351 PolarHBondContact O-N 3.05Å; G351-N395 VanDerWaalsContact O-CB 3.22Å; G351-N395 WeakPolarHBondContact O-CB 3.17Å; G351-N395 VanDerWaalsContact O-CG 3.27Å; G351-N395 PolarHBondContact O-N 2.76Å
352E95.7Very high96.5Very high39 Ų3928.3 Ų28.318%0.18215%0.145CC..EExtended strand (participates in β ladder)trans-121.9145.1-179.5-56.4-174.5133.600111Y348 V349 G350 Y354 K391 F393 N394Y348-E352 CarbonylContact C-O 3.49Å; Y348-E352 VanDerWaalsContact CA-O 3.32Å; Y348-E352 WeakPolarHBondContact CA-O 3.43Å; V349-E352 PolarHBondContact N-O 3.05Å; V349-E352 WeakPolarHBondContact O-CB 3.43Å; V349-E352 PolarHBondContact O-N 3.35Å; G350-E352 VanDerWaalsContact C-N 3.31Å; G350-E352 PolarHBondContact O-N 2.87Å; E352-Y354 HydrophobicContact CB-CD2 4.29Å; E352-Y354 HydrophobicContact CB-CE2 3.6Å; E352-Y354 PolarHBondContact OE2-OH 3.04Å; E352-K391 HydrophobicContact CG-CD 4.48Å; E352-K391 WeakPolarHBondContact OE1-CE 3.37Å; E352-K391 IonicContact OE1-NZ 2.66Å; E352-K391 PolarHBondContact OE1-NZ 2.76Å; E352-K391 IonicContact OE2-NZ 3.83Å; E352-F393 CarbonylContact C-O 3.57Å; E352-F393 WeakPolarHBondContact CA-O 3.45Å; E352-N394 PolarHBondContact OE1-ND2 3.47Å
353V97.6Very high96.6Very high3 Ų322.7 Ų22.72%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-112.1133.1174.4-172.50000109.4W281 Y347 Y348 I392 F393 L450W281-V353 HydrophobicContact CE3-CG2 4.35Å; W281-V353 HydrophobicContact CH2-CG1 3.99Å; W281-V353 HydrophobicContact CZ3-CG1 3.75Å; W281-V353 HydrophobicContact CZ3-CG2 3.89Å; Y347-V353 WeakPolarHBondContact O-CA 3.4Å; Y348-V353 HydrophobicContact CD2-CG2 3.91Å; V353-I392 HydrophobicContact CB-CG1 4.16Å; V353-I392 HydrophobicContact CG1-CD1 3.87Å; V353-I392 HydrophobicContact CG1-CG1 3.88Å; V353-I392 WeakPolarHBondContact O-CG1 3.48Å; V353-I392 PolarHBondContact O-N 3.3Å; V353-F393 HydrophobicContact CB-CB 3.79Å; V353-F393 HydrophobicContact CG2-CB 3.94Å; V353-F393 PolarHBondContact N-O 3.15Å; V353-F393 PolarHBondContact O-N 3.3Å; V353-F393 VanDerWaalsContact O-N 3.12Å; V353-L450 HydrophobicContact CG2-CD1 4.43Å; V353-L450 HydrophobicContact CG2-CD2 4.11Å
354Y98Very high96.6Very high47 Ų4723.1 Ų23.118%0.18412%0.122CC..EExtended strand (participates in β ladder)trans-121.6150.4177.8-66.9-101.4000111.2L346 Y347 V349 E352 L390 K391L346-Y354 WeakPolarHBondContact CA-O 3.41Å; Y347-Y354 AromaticContact CD2-CD2 3.93Å; Y347-Y354 HydrophobicContact CD2-CD2 3.93Å; Y347-Y354 HydrophobicContact CD2-CG 4.22Å; Y347-Y354 HydrophobicContact CE1-CG 4.35Å; Y347-Y354 HydrophobicContact CE2-CD1 4.24Å; Y347-Y354 AromaticContact CE2-CD2 3.32Å; Y347-Y354 HydrophobicContact CE2-CD2 3.32Å; Y347-Y354 HydrophobicContact CE2-CE2 4.15Å; Y347-Y354 AromaticContact CE2-CG 3.39Å; Y347-Y354 HydrophobicContact CE2-CG 3.39Å; Y347-Y354 AromaticContact CZ-CD2 3.94Å; Y347-Y354 AromaticContact CZ-CG 3.47Å; Y347-Y354 VanDerWaalsContact CZ-CG 3.47Å; Y347-Y354 PolarHBondContact N-O 3.48Å; Y347-Y354 PolarHBondContact O-N 3.04Å; Y347-Y354 VanDerWaalsContact OH-CB 3.3Å; Y347-Y354 WeakPolarHBondContact OH-CB 3.11Å; Y347-Y354 WeakPolarHBondContact OH-CD1 3.49Å; V349-Y354 HydrophobicContact CG1-CD2 4.1Å; V349-Y354 HydrophobicContact CG1-CE2 3.92Å; E352-Y354 HydrophobicContact CB-CD2 4.29Å; E352-Y354 HydrophobicContact CB-CE2 3.6Å; E352-Y354 PolarHBondContact OE2-OH 3.04Å; Y354-L390 WeakPolarHBondContact CA-O 3.38Å; Y354-K391 HydrophobicContact CD1-CB 3.91Å; Y354-K391 HydrophobicContact CD1-CG 4.38Å; Y354-K391 HydrophobicContact CE1-CB 3.67Å; Y354-K391 HydrophobicContact CE1-CG 4.01Å; Y354-K391 HydrophobicContact CE2-CG 4.45Å; Y354-K391 VanDerWaalsContact OH-CE 3.24Å; Y354-K391 WeakPolarHBondContact OH-CE 3.4Å
355A98.4Very high96.6Very high0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-119.4116.8169.200000109.9V344 L346 I384 S389 L390 I392V344-A355 HydrophobicContact CG2-CB 4.11Å; L346-A355 HydrophobicContact CD2-CB 3.82Å; A355-I384 HydrophobicContact CB-CD1 4.08Å; A355-S389 WeakPolarHBondContact O-CA 3.2Å; A355-L390 PolarHBondContact N-O 3.19Å; A355-L390 PolarHBondContact O-N 2.98Å; A355-I392 HydrophobicContact CB-CD1 3.93Å; A355-I392 HydrophobicContact CB-CG1 4.35Å; A355-I392 HydrophobicContact CB-CG2 3.92Å
356E97.9Very high96.6Very high43 Ų4323.4 Ų23.420%0.20112%0.124CC..EExtended strand (participates in β ladder)trans-105.4123.3173.9-176179.5-164.400110.3H102 V344 H345 Y347 L358 C388H102-E356 IonicContact NE2-OE2 3.36Å; V344-E356 WeakPolarHBondContact CA-O 3.29Å; V344-E356 WeakPolarHBondContact CG2-O 3.11Å; H345-E356 HydrophobicContact CB-CB 4.34Å; H345-E356 PolarHBondContact N-O 3.23Å; H345-E356 IonicContact ND1-OE2 3.45Å; H345-E356 PolarHBondContact O-N 3.1Å; Y347-E356 HydrophobicContact CE1-CB 4.33Å; E356-L358 HydrophobicContact CG-CD2 3.89Å; E356-L358 PolarHBondContact O-N 3.03Å; E356-C388 WeakPolarHBondContact CA-O 3.36Å
357C98.3Very high96.6Very high0 Ų023.4 Ų23.40%012%0.124CC..EExtended strand (participates in β ladder)trans-80.6102.6178.6-172.90000110.2T361 I363 I384 P385 G387 C388C357-T361 PolarHBondContact SG-O 3.29Å; C357-I363 HydrophobicContact CB-CD1 3.71Å; C357-I363 HydrophobicContact CB-CG1 3.96Å; C357-I384 HydrophobicContact CB-CG2 3.87Å; C357-P385 VanDerWaalsContact CB-O 3.27Å; C357-P385 WeakPolarHBondContact CB-O 3.4Å; C357-G387 WeakPolarHBondContact O-CA 3.42Å; C357-G387 PolarHBondContact O-N 3.45Å; C357-C388 PolarHBondContact N-O 2.74Å
358L97.2Very high96.7Very high54 Ų5425.5 Ų25.528%0.28313%0.132SC..  trans-92.1-15176.8-60.3-174.7000113L305 K342 G343 H345 E356L305-L358 HydrophobicContact CD1-CD1 3.73Å; K342-L358 HydrophobicContact CB-CB 3.8Å; K342-L358 WeakPolarHBondContact CB-O 3.23Å; G343-L358 CarbonylContact O-C 3.45Å; G343-L358 PolarHBondContact O-N 3.19Å; H345-L358 HydrophobicContact CB-CD1 3.69Å; H345-L358 HydrophobicContact CB-CG 4.07Å; E356-L358 HydrophobicContact CG-CD2 3.89Å; E356-L358 PolarHBondContact O-N 3.03Å
359S97.4Very high96.8Very high2 Ų224.6 Ų24.61%0.01413%0.128CC..SBendtrans-64.1152.4173-174.20000111.2H339 I340 G343 T361 S386H339-S359 PolarHBondContact O-OG 3Å; I340-S359 WeakPolarHBondContact O-CB 3.17Å; I340-S359 PolarHBondContact O-OG 3.32Å; G343-S359 PolarHBondContact O-N 2.93Å; S359-T361 WeakPolarHBondContact CB-O 3.39Å; S359-T361 PolarHBondContact O-N 3.32Å; S359-T361 PolarHBondContact OG-N 2.76Å; S359-T361 PolarHBondContact OG-O 3.06Å; S359-T361 PolarHBondContact OG-OG1 2.94Å; S359-T361 VanDerWaalsContact OG-OG1 3.12Å; S359-S386 WeakPolarHBondContact O-CB 3.44Å; S359-S386 PolarHBondContact O-OG 2.93Å
360D97.1Very high97Very high138 Ų13824.1 Ų24.174%0.73813%0.126SC*.SBendtrans-72.9-10.9170.8-56.5-36.2000111.4
361T97.5Very high97.3Very high34 Ų3423.5 Ų23.521%0.20912%0.119CC..SBendtrans-112.9151.9175.964.80000111.5H339 C357 S359 V427H339-T361 HydrophobicContact CB-CG2 4.11Å; H339-T361 PolarHBondContact O-OG1 3.42Å; C357-T361 PolarHBondContact SG-O 3.29Å; S359-T361 WeakPolarHBondContact CB-O 3.39Å; S359-T361 PolarHBondContact O-N 3.32Å; S359-T361 PolarHBondContact OG-N 2.76Å; S359-T361 PolarHBondContact OG-O 3.06Å; S359-T361 PolarHBondContact OG-OG1 2.94Å; S359-T361 VanDerWaalsContact OG-OG1 3.12Å; T361-V427 HydrophobicContact CG2-CG1 4.47Å
362S98.1Very high97.4Very high25 Ų2527.2 Ų27.218%0.17513%0.134CC..  trans-64.9151.3-179.8-52.80000112.9K383 I384 V427S362-K383 WeakPolarHBondContact OG-CE 3.13Å; S362-I384 WeakPolarHBondContact CA-O 3.35Å; S362-I384 WeakPolarHBondContact CB-O 2.96Å; S362-V427 WeakPolarHBondContact O-CA 3.3Å; S362-V427 PolarHBondContact O-N 2.76Å; S362-V427 VanDerWaalsContact O-N 3.08Å
363I98.7Very high97.3Very high0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans-108.1157.3165.761.3-174.2000109.3V344 C357 I384 M424 S425 F426V344-I363 HydrophobicContact CB-CD1 4Å; V344-I363 HydrophobicContact CG2-CD1 3.59Å; C357-I363 HydrophobicContact CB-CD1 3.71Å; C357-I363 HydrophobicContact CB-CG1 3.96Å; I363-I384 HydrophobicContact CD1-CB 4.22Å; I363-I384 HydrophobicContact CD1-CD1 4.08Å; I363-I384 HydrophobicContact CD1-CG2 4.48Å; I363-I384 HydrophobicContact CG1-CB 3.7Å; I363-I384 HydrophobicContact CG1-CD1 4.18Å; I363-I384 HydrophobicContact CG1-CG1 4.32Å; I363-I384 HydrophobicContact CG1-CG2 4.39Å; I363-I384 PolarHBondContact N-O 2.75Å; I363-I384 VanDerWaalsContact N-O 3.09Å; I363-I384 PolarHBondContact O-N 3.17Å; I363-M424 HydrophobicContact CB-CG 4.31Å; I363-M424 HydrophobicContact CB-SD 4.19Å; I363-M424 HydrophobicContact CD1-SD 3.72Å; I363-M424 HydrophobicContact CG1-SD 4.26Å; I363-S425 WeakPolarHBondContact CA-O 3.23Å; I363-F426 HydrophobicContact CG2-CD1 3.87Å; I363-F426 HydrophobicContact CG2-CE1 4.35Å
364F98.5Very high97Very high10 Ų1032.5 Ų32.54%0.04416%0.158CC..EExtended strand (participates in β ladder)trans-128.2122.2-175.4-60-91.5000108.1V381 C382 K383 M424 S425 K428 G429 W430 Y434F364-V381 HydrophobicContact CB-CG1 3.79Å; F364-C382 CarbonylContact C-O 3.59Å; F364-C382 WeakPolarHBondContact CA-O 3.16Å; F364-K383 HydrophobicContact CD1-CB 3.88Å; F364-K383 HydrophobicContact CD1-CG 4.06Å; F364-K383 HydrophobicContact CE1-CB 3.84Å; F364-K383 HydrophobicContact CE1-CD 3.88Å; F364-K383 HydrophobicContact CE1-CG 3.6Å; F364-K383 HydrophobicContact CZ-CD 4.38Å; F364-K383 HydrophobicContact CZ-CG 4.21Å; F364-M424 CarbonylContact O-C 3.52Å; F364-M424 WeakPolarHBondContact O-CA 3.47Å; F364-S425 PolarHBondContact N-O 3.05Å; F364-S425 PolarHBondContact O-N 3.26Å; F364-K428 VanDerWaalsContact CD2-C 3.41Å; F364-K428 WeakPolarHBondContact CD2-O 3.31Å; F364-K428 VanDerWaalsContact CE2-C 3.42Å; F364-G429 VanDerWaalsContact CE2-N 3.28Å; F364-G429 VanDerWaalsContact CG-CA 3.47Å; F364-W430 HydrophobicContact CB-CE3 4.04Å; F364-W430 HydrophobicContact CB-CH2 4.48Å; F364-W430 HydrophobicContact CB-CZ3 3.58Å; F364-W430 WeakPolarHBondContact O-CH2 3.22Å; F364-W430 VanDerWaalsContact O-CZ3 3.23Å; F364-W430 WeakPolarHBondContact O-CZ3 3.26Å; F364-Y434 HydrophobicContact CD1-CE2 4.22Å; F364-Y434 HydrophobicContact CE1-CE1 4.31Å; F364-Y434 HydrophobicContact CE1-CE2 4.17Å; F364-Y434 AromaticContact CE1-CZ 3.66Å; F364-Y434 VanDerWaalsContact CE1-OH 3.29Å; F364-Y434 WeakPolarHBondContact CE1-OH 3.48Å
365V98.5Very high96.6Very high2 Ų233.5 Ų33.51%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-121.5131.1-170-179.40000110.2C382 I384 I392 I422 R423 M424V365-C382 PolarHBondContact N-O 3.31Å; V365-C382 PolarHBondContact O-N 3.06Å; V365-I384 HydrophobicContact CB-CD1 4.33Å; V365-I384 HydrophobicContact CG2-CD1 3.55Å; V365-I384 HydrophobicContact CG2-CG1 4.33Å; V365-I392 HydrophobicContact CG1-CG2 3.94Å; V365-I422 HydrophobicContact CG1-CG2 3.75Å; V365-R423 CarbonylContact C-O 3.52Å; V365-R423 WeakPolarHBondContact CA-O 3.22Å; V365-M424 HydrophobicContact CG2-CB 4.2Å; V365-M424 HydrophobicContact CG2-CG 3.86Å; V365-M424 HydrophobicContact CG2-SD 3.69Å
366Q98.3Very high96.3Very high27 Ų2735.7 Ų35.713%0.12619%0.192CC..EExtended strand (participates in β ladder)trans-112.1105.1165.9-178.4-177.184.200107.8T379 V381 R423 W430Q366-T379 PolarHBondContact NE2-O 2.85Å; Q366-V381 HydrophobicContact CB-CG2 4.43Å; Q366-R423 PolarHBondContact N-O 3.35Å; Q366-R423 PolarHBondContact O-N 3.42Å; Q366-W430 HydrophobicContact CB-CH2 4.22Å; Q366-W430 HydrophobicContact CB-CZ2 3.65Å
367S98.3Very high96.1Very high1 Ų135.3 Ų35.31%0.00719%0.191CC..  trans-122118.9170.1169.30000108.6N369 C370 N371 I392S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.05Å; S367-N369 PolarHBondContact OG-N 3.41Å; S367-C370 PolarHBondContact O-N 2.89Å; S367-C370 PolarHBondContact OG-N 3.11Å; S367-N371 WeakPolarHBondContact O-CB 3.27Å; S367-N371 PolarHBondContact O-N 3.4Å; S367-N371 PolarHBondContact O-ND2 2.94Å; S367-I392 VanDerWaalsContact CB-O 3.29Å; S367-I392 WeakPolarHBondContact CB-O 3.45Å; S367-I392 PolarHBondContact OG-O 2.71Å
368R96.9Very high95.8Very high57 Ų5736.1 Ų36.122%0.21520%0.196CC..Hα-helixtrans-64.9-34.2178.8-64-171175.3-154.5-6.6112.4N371 F372 P378 E415 K418 M419R368-N371 PolarHBondContact O-N 3.48Å; R368-F372 VanDerWaalsContact O-CB 3.31Å; R368-F372 WeakPolarHBondContact O-CB 3.38Å; R368-F372 PolarHBondContact O-N 3.36Å; R368-P378 HydrophobicContact CG-CB 4.44Å; R368-E415 IonicContact NH1-OE2 2.84Å; R368-K418 WeakPolarHBondContact CD-O 3.32Å; R368-K418 VanDerWaalsContact CZ-CB 3.41Å; R368-K418 VanDerWaalsContact CZ-CD 3.47Å; R368-K418 VanDerWaalsContact NH1-CD 3.29Å; R368-M419 HydrophobicContact CB-CG 4.42Å; R368-M419 HydrophobicContact CB-SD 3.28Å; R368-M419 WeakPolarHBondContact CB-SD 3.35Å; R368-M419 HydrophobicContact CG-SD 4.43Å
369N97.5Very high95.6Very high2 Ų235.7 Ų35.71%0.01120%0.195CC..Hα-helixtrans-64-48.8174.9177.6-101.4000111.2S367 N371 F372 H373 F393 N394 E397 M419S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.05Å; S367-N369 PolarHBondContact OG-N 3.41Å; N369-N371 VanDerWaalsContact C-N 3.32Å; N369-N371 PolarHBondContact O-N 3.29Å; N369-F372 PolarHBondContact O-N 2.77Å; N369-H373 PolarHBondContact O-N 3.49Å; N369-F393 HydrophobicContact CB-CD2 3.54Å; N369-F393 HydrophobicContact CB-CE2 3.75Å; N369-F393 HydrophobicContact CB-CG 4.37Å; N369-F393 VanDerWaalsContact OD1-CA 3.23Å; N369-F393 WeakPolarHBondContact OD1-CA 3.34Å; N369-N394 PolarHBondContact OD1-N 3.27Å; N369-E397 PolarHBondContact ND2-OE2 2.86Å; N369-E397 PolarHBondContact OD1-OE2 3.21Å; N369-M419 VanDerWaalsContact CA-CE 3.49Å; N369-M419 HydrophobicContact CB-CE 3.84Å
370C96.5Very high95.5Very high5 Ų535.8 Ų35.83%0.03420%0.196CC..Hα-helixtrans-60.6-41.5176.1-171.80000112.2S367 H373 H374 K391S367-C370 PolarHBondContact O-N 2.89Å; S367-C370 PolarHBondContact OG-N 3.11Å; C370-H373 PolarHBondContact O-N 3.41Å; C370-H374 PolarHBondContact O-N 3.38Å; C370-H374 PolarHBondContact O-ND1 2.76Å; C370-K391 PolarHBondContact SG-O 3.44Å
371N95.8Very high95.5Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-64.3-45.3178.3-70.2-15.7000111.2S367 R368 N369 H373 H374 G375 F376 H377 P378 T380S367-N371 WeakPolarHBondContact O-CB 3.27Å; S367-N371 PolarHBondContact O-N 3.4Å; S367-N371 PolarHBondContact O-ND2 2.94Å; R368-N371 PolarHBondContact O-N 3.48Å; N369-N371 VanDerWaalsContact C-N 3.32Å; N369-N371 PolarHBondContact O-N 3.29Å; N371-H373 PolarHBondContact O-N 3.33Å; N371-H374 PolarHBondContact O-N 3.06Å; N371-G375 PolarHBondContact O-N 2.91Å; N371-G375 VanDerWaalsContact O-N 3.11Å; N371-F376 HydrophobicContact CB-CB 4.09Å; N371-F376 PolarHBondContact O-N 2.87Å; N371-H377 PolarHBondContact ND2-O 3.19Å; N371-P378 PolarHBondContact ND2-O 3.41Å; N371-T380 PolarHBondContact ND2-N 2.78Å; N371-T380 PolarHBondContact ND2-O 3.24Å
372F93.9Very high95.4Very high83 Ų8327.7 Ų27.736%0.36415%0.152SC..Hα-helixtrans-57.8-47.5175.8179.4-93.9000111.7R368 N369 H374 G375 E397 L401R368-F372 VanDerWaalsContact O-CB 3.31Å; R368-F372 WeakPolarHBondContact O-CB 3.38Å; R368-F372 PolarHBondContact O-N 3.36Å; N369-F372 PolarHBondContact O-N 2.77Å; F372-H374 VanDerWaalsContact C-N 3.25Å; F372-H374 PolarHBondContact O-N 2.89Å; F372-G375 PolarHBondContact O-N 2.81Å; F372-E397 HydrophobicContact CD1-CG 4.24Å; F372-E397 HydrophobicContact CE1-CG 4.41Å; F372-L401 HydrophobicContact CD1-CD1 3.88Å; F372-L401 HydrophobicContact CD1-CD2 4.47Å; F372-L401 HydrophobicContact CE1-CD1 4Å; F372-L401 HydrophobicContact CE1-CD2 3.85Å; F372-L401 HydrophobicContact CE1-CG 4.18Å; F372-L401 HydrophobicContact CE2-CD2 4.02Å; F372-L401 HydrophobicContact CG-CD1 4.23Å; F372-L401 HydrophobicContact CZ-CD1 4.46Å; F372-L401 HydrophobicContact CZ-CD2 3.6Å; F372-L401 HydrophobicContact CZ-CG 4.43Å
373H92.6Very high95.4Very high105 Ų10529.5 Ų29.549%0.48616%0.156SC..Hα-helixtrans-54.3-40.4179.5-171.771.9000113.6N369 C370 N371 E397N369-H373 PolarHBondContact O-N 3.49Å; C370-H373 PolarHBondContact O-N 3.41Å; N371-H373 PolarHBondContact O-N 3.33Å; H373-E397 VanDerWaalsContact CA-OE1 3.31Å; H373-E397 WeakPolarHBondContact CA-OE1 3.26Å; H373-E397 WeakPolarHBondContact CB-OE1 3.47Å; H373-E397 IonicContact CG-OE1 2.76Å; H373-E397 IonicContact ND1-OE1 2.94Å; H373-E397 PolarHBondContact ND1-OE1 3.19Å; H373-E397 IonicContact ND1-OE2 2.89Å
374H90.7Very high95.4Very high48 Ų4829.5 Ų29.522%0.22216%0.156CC..THydrogen-bonded Turntrans-95.35.4-177.1-6094.9000113.2F177 C370 N371 F372 F376F177-H374 AromaticContact CD1-CD2 3.53Å; F177-H374 AromaticContact CD1-CE1 3.71Å; F177-H374 AromaticContact CD1-CG 3.88Å; F177-H374 AromaticContact CD1-ND1 3.99Å; F177-H374 AromaticContact CD1-NE2 3.42Å; F177-H374 WeakPolarHBondContact CD1-NE2 3.41Å; F177-H374 AromaticContact CE1-CE1 3.72Å; F177-H374 AromaticContact CE1-ND1 3.81Å; F177-H374 AromaticContact CE1-NE2 3.93Å; C370-H374 PolarHBondContact O-N 3.38Å; C370-H374 PolarHBondContact O-ND1 2.76Å; N371-H374 PolarHBondContact O-N 3.06Å; F372-H374 VanDerWaalsContact C-N 3.25Å; F372-H374 PolarHBondContact O-N 2.89Å; H374-F376 HydrophobicContact CB-CD1 4.42Å; H374-F376 HydrophobicContact CB-CD2 3.83Å; H374-F376 HydrophobicContact CB-CE1 4.22Å; H374-F376 HydrophobicContact CB-CE2 3.6Å; H374-F376 HydrophobicContact CB-CG 4.22Å; H374-F376 HydrophobicContact CB-CZ 3.81Å; H374-F376 PolarHBondContact O-N 2.54Å
375G91Very high95.4Very high68 Ų6830.7 Ų30.770%0.70117%0.165SC*.THydrogen-bonded Turntrans68.919.9-17800000114.2N371 F372N371-G375 PolarHBondContact O-N 2.91Å; N371-G375 VanDerWaalsContact O-N 3.11Å; F372-G375 PolarHBondContact O-N 2.81Å
376F92.4Very high95.3Very high45 Ų4533.3 Ų33.320%0.19718%0.184CC..  trans-80.4158.2173.8-56.7-32.6000111.2A171 S176 F177 N371 H374 T380A171-F376 HydrophobicContact CB-CD2 4.27Å; A171-F376 HydrophobicContact CB-CE2 3.81Å; A171-F376 HydrophobicContact CB-CZ 4.11Å; S176-F376 VanDerWaalsContact O-CZ 3.3Å; S176-F376 WeakPolarHBondContact O-CZ 3.49Å; F177-F376 HydrophobicContact CD1-CE2 4.39Å; F177-F376 AromaticContact CE1-CE2 3.98Å; F177-F376 HydrophobicContact CE1-CE2 3.98Å; F177-F376 HydrophobicContact CE2-CE2 4.4Å; F177-F376 AromaticContact CZ-CE2 3.99Å; F177-F376 HydrophobicContact CZ-CE2 3.99Å; N371-F376 HydrophobicContact CB-CB 4.09Å; N371-F376 PolarHBondContact O-N 2.87Å; H374-F376 HydrophobicContact CB-CD1 4.42Å; H374-F376 HydrophobicContact CB-CD2 3.83Å; H374-F376 HydrophobicContact CB-CE1 4.22Å; H374-F376 HydrophobicContact CB-CE2 3.6Å; H374-F376 HydrophobicContact CB-CG 4.22Å; H374-F376 HydrophobicContact CB-CZ 3.81Å; H374-F376 PolarHBondContact O-N 2.54Å; F376-T380 HydrophobicContact CB-CG2 4.13Å; F376-T380 HydrophobicContact CD2-CG2 4.31Å; F376-T380 HydrophobicContact CG-CG2 4.35Å
377H92.6Very high95.1Very high36 Ų3634.7 Ų34.717%0.16721%0.205CC..  trans-59.5142172.4-174.3-87.1000110.6P168 N371 T379 T380P168-H377 HydrophobicContact CB-CB 3.29Å; P168-H377 HydrophobicContact CG-CB 3.64Å; P168-H377 VanDerWaalsContact CG-ND1 3.34Å; P168-H377 WeakPolarHBondContact CG-ND1 3.32Å; N371-H377 PolarHBondContact ND2-O 3.19Å; H377-T379 PolarHBondContact CE1-OG1 3.06Å; H377-T379 PolarHBondContact ND1-N 2.89Å; H377-T379 PolarHBondContact ND1-OG1 2.76Å; H377-T379 PolarHBondContact O-N 2.94Å; H377-T380 PolarHBondContact N-OG1 3.37Å; H377-T380 WeakPolarHBondContact O-CB 3.4Å; H377-T380 PolarHBondContact O-N 3.21Å; H377-T380 PolarHBondContact O-OG1 3.07Å
378P91.6Very high95Very high17 Ų1736.1 Ų36.111%0.1121%0.214CC..THydrogen-bonded Turntrans-55.3-28.9-173.9-29.835000115.5F157 R368 N371F157-P378 HydrophobicContact CD1-CG 4.07Å; F157-P378 HydrophobicContact CE1-CG 4.22Å; R368-P378 HydrophobicContact CG-CB 4.44Å; N371-P378 PolarHBondContact ND2-O 3.41Å
379T93.6Very high94.9Very high44 Ų4435 Ų3527%0.2722%0.216SC..THydrogen-bonded Turntrans-933.3179.7610000114.5P168 Q366 H377P168-T379 VanDerWaalsContact CD-OG1 3.27Å; P168-T379 WeakPolarHBondContact CD-OG1 2.99Å; P168-T379 VanDerWaalsContact CG-OG1 3.29Å; P168-T379 WeakPolarHBondContact CG-OG1 3.33Å; Q366-T379 PolarHBondContact NE2-O 2.85Å; H377-T379 PolarHBondContact CE1-OG1 3.06Å; H377-T379 PolarHBondContact ND1-N 2.89Å; H377-T379 PolarHBondContact ND1-OG1 2.76Å; H377-T379 PolarHBondContact O-N 2.94Å
380T94.6Very high94.9Very high5 Ų535.2 Ų35.23%0.03122%0.216CC..  trans-54.6138.5176.6-58.80000111L169 A171 N371 F376 H377L169-T380 WeakPolarHBondContact O-CG2 3.36Å; A171-T380 HydrophobicContact CB-CG2 4.06Å; N371-T380 PolarHBondContact ND2-N 2.78Å; N371-T380 PolarHBondContact ND2-O 3.24Å; F376-T380 HydrophobicContact CB-CG2 4.13Å; F376-T380 HydrophobicContact CD2-CG2 4.31Å; F376-T380 HydrophobicContact CG-CG2 4.35Å; H377-T380 PolarHBondContact N-OG1 3.37Å; H377-T380 WeakPolarHBondContact O-CB 3.4Å; H377-T380 PolarHBondContact O-N 3.21Å; H377-T380 PolarHBondContact O-OG1 3.07Å
381V97.1Very high95Very high0 Ų038.4 Ų38.40%023%0.23CC..  trans-105.7120.5174.9-176.20000109N170 A171 F364 Q366 W430N170-V381 WeakPolarHBondContact CB-O 3.47Å; A171-V381 PolarHBondContact N-O 2.95Å; F364-V381 HydrophobicContact CB-CG1 3.79Å; Q366-V381 HydrophobicContact CB-CG2 4.43Å; V381-W430 WeakPolarHBondContact CB-O 3.41Å; V381-W430 HydrophobicContact CG1-CD2 4.19Å; V381-W430 HydrophobicContact CG1-CE3 4.03Å; V381-W430 HydrophobicContact CG1-CH2 3.93Å; V381-W430 HydrophobicContact CG1-CZ2 4.09Å; V381-W430 HydrophobicContact CG1-CZ3 3.89Å; V381-W430 HydrophobicContact CG2-CD2 4Å; V381-W430 VanDerWaalsContact CG2-CE2 3.49Å; V381-W430 HydrophobicContact CG2-CG 4.34Å; V381-W430 HydrophobicContact CG2-CH2 4.46Å; V381-W430 HydrophobicContact CG2-CZ2 3.78Å; V381-W430 VanDerWaalsContact CG2-O 3.3Å; V381-W430 WeakPolarHBondContact CG2-O 3.41Å
382C97.3Very high95.1Very high2 Ų238.5 Ų38.51%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-94.6116.2179.6-62.80000110.2A171 F177 F364 V365 L390A171-C382 CarbonylContact O-C 3.51Å; A171-C382 VanDerWaalsContact O-CA 3.31Å; A171-C382 WeakPolarHBondContact O-CA 3.39Å; F177-C382 HydrophobicContact CZ-CB 4.2Å; F364-C382 CarbonylContact C-O 3.59Å; F364-C382 WeakPolarHBondContact CA-O 3.16Å; V365-C382 PolarHBondContact N-O 3.31Å; V365-C382 PolarHBondContact O-N 3.06Å; C382-L390 HydrophobicContact CB-CD2 4.07Å
383K97.8Very high95.3Very high63 Ų6334.6 Ų34.627%0.27421%0.213SC..EExtended strand (participates in β ladder)trans-76.4126.1170.4179.8-176.4177.3-171.40109.9A171 T172 F173 S362 F364A171-K383 PolarHBondContact O-N 2.79Å; T172-K383 HydrophobicContact CG2-CB 4.41Å; T172-K383 HydrophobicContact CG2-CD 4.15Å; T172-K383 HydrophobicContact CG2-CG 4.5Å; F173-K383 PolarHBondContact N-O 2.91Å; S362-K383 WeakPolarHBondContact OG-CE 3.13Å; F364-K383 HydrophobicContact CD1-CB 3.88Å; F364-K383 HydrophobicContact CD1-CG 4.06Å; F364-K383 HydrophobicContact CE1-CB 3.84Å; F364-K383 HydrophobicContact CE1-CD 3.88Å; F364-K383 HydrophobicContact CE1-CG 3.6Å; F364-K383 HydrophobicContact CZ-CD 4.38Å; F364-K383 HydrophobicContact CZ-CG 4.21Å
384I98Very high95.5Very high0 Ų030.6 Ų30.60%020%0.195CC..EExtended strand (participates in β ladder)trans-109.4108.6172.5-51173.5000107.8A355 C357 S362 I363 V365 C388 L390A355-I384 HydrophobicContact CB-CD1 4.08Å; C357-I384 HydrophobicContact CB-CG2 3.87Å; S362-I384 WeakPolarHBondContact CA-O 3.35Å; S362-I384 WeakPolarHBondContact CB-O 2.96Å; I363-I384 HydrophobicContact CD1-CB 4.22Å; I363-I384 HydrophobicContact CD1-CD1 4.08Å; I363-I384 HydrophobicContact CD1-CG2 4.48Å; I363-I384 HydrophobicContact CG1-CB 3.7Å; I363-I384 HydrophobicContact CG1-CD1 4.18Å; I363-I384 HydrophobicContact CG1-CG1 4.32Å; I363-I384 HydrophobicContact CG1-CG2 4.39Å; I363-I384 PolarHBondContact N-O 2.75Å; I363-I384 VanDerWaalsContact N-O 3.09Å; I363-I384 PolarHBondContact O-N 3.17Å; V365-I384 HydrophobicContact CB-CD1 4.33Å; V365-I384 HydrophobicContact CG2-CD1 3.55Å; V365-I384 HydrophobicContact CG2-CG1 4.33Å; I384-C388 HydrophobicContact CG2-CB 3.79Å; I384-C388 WeakPolarHBondContact CG2-O 3.28Å; I384-L390 HydrophobicContact CD1-CB 3.74Å; I384-L390 HydrophobicContact CD1-CD2 4Å; I384-L390 HydrophobicContact CD1-CG 4.47Å; I384-L390 HydrophobicContact CG1-CB 4.1Å; I384-L390 HydrophobicContact CG1-CD2 4.03Å
385P97.8Very high95.7Very high34 Ų3428.5 Ų28.522%0.22119%0.186CC..  trans-65164.2175.5-21.934.3000113.4T172 F173 C357 G387 C388T172-P385 HydrophobicContact CG2-CG 4.47Å; F173-P385 WeakPolarHBondContact O-CD 3.37Å; F173-P385 VanDerWaalsContact O-CG 3.32Å; F173-P385 WeakPolarHBondContact O-CG 3.47Å; C357-P385 VanDerWaalsContact CB-O 3.27Å; C357-P385 WeakPolarHBondContact CB-O 3.4Å; P385-G387 PolarHBondContact O-N 2.76Å; P385-C388 WeakPolarHBondContact O-CB 3.35Å; P385-C388 PolarHBondContact O-N 2.71Å; P385-C388 VanDerWaalsContact O-N 3.09Å
386S96.8Very high95.8Very high58 Ų5829.6 Ų29.641%0.40617%0.173SC..THydrogen-bonded Turntrans-56.2131.8176.4-175.30000111.3S359 C388S359-S386 WeakPolarHBondContact O-CB 3.44Å; S359-S386 PolarHBondContact O-OG 2.93Å; S386-C388 PolarHBondContact O-N 3.25Å
387G93.6Very high95.9Very high55 Ų5528.6 Ų28.657%0.56717%0.168SC*.THydrogen-bonded Turntrans77.31.1-179.100000115.1C357 P385C357-G387 WeakPolarHBondContact O-CA 3.42Å; C357-G387 PolarHBondContact O-N 3.45Å; P385-G387 PolarHBondContact O-N 2.76Å
388C96.3Very high96Very high31 Ų3126.9 Ų26.921%0.20916%0.161CC..  trans-90150.8173.5-64.30000111.5F173 E356 C357 I384 P385 S386F173-C388 HydrophobicContact CD1-CB 3.98Å; F173-C388 HydrophobicContact CE1-CB 4.34Å; E356-C388 WeakPolarHBondContact CA-O 3.36Å; C357-C388 PolarHBondContact N-O 2.74Å; I384-C388 HydrophobicContact CG2-CB 3.79Å; I384-C388 WeakPolarHBondContact CG2-O 3.28Å; P385-C388 WeakPolarHBondContact O-CB 3.35Å; P385-C388 PolarHBondContact O-N 2.71Å; P385-C388 VanDerWaalsContact O-N 3.09Å; S386-C388 PolarHBondContact O-N 3.25Å
389S96.1Very high96.1Very high35 Ų3526.3 Ų26.325%0.24516%0.157CC..EExtended strand (participates in β ladder)trans-124.6135.3172.9179.30000109.9F173 Y347 A355F173-S389 WeakPolarHBondContact CE1-O 3.45Å; Y347-S389 PolarHBondContact OH-OG 2.67Å; Y347-S389 VanDerWaalsContact OH-OG 3.12Å; A355-S389 WeakPolarHBondContact O-CA 3.2Å
390L97.1Very high96Very high5 Ų529.7 Ų29.73%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-125.6136.5178.9177.161.5000109.9F173 F177 Y354 A355 C382 I384 I392F173-L390 HydrophobicContact CD2-CD1 3.68Å; F173-L390 HydrophobicContact CE2-CD1 3.9Å; F173-L390 HydrophobicContact CG-CD1 4.43Å; F177-L390 HydrophobicContact CD1-CD1 4.15Å; F177-L390 HydrophobicContact CE1-CD1 3.52Å; F177-L390 HydrophobicContact CE1-CD2 4.28Å; F177-L390 HydrophobicContact CZ-CD1 3.93Å; F177-L390 HydrophobicContact CZ-CD2 3.96Å; Y354-L390 WeakPolarHBondContact CA-O 3.38Å; A355-L390 PolarHBondContact N-O 3.19Å; A355-L390 PolarHBondContact O-N 2.98Å; C382-L390 HydrophobicContact CB-CD2 4.07Å; I384-L390 HydrophobicContact CD1-CB 3.74Å; I384-L390 HydrophobicContact CD1-CD2 4Å; I384-L390 HydrophobicContact CD1-CG 4.47Å; I384-L390 HydrophobicContact CG1-CB 4.1Å; I384-L390 HydrophobicContact CG1-CD2 4.03Å; L390-I392 HydrophobicContact CB-CG2 4.44Å; L390-I392 HydrophobicContact CD2-CG2 4.28Å; L390-I392 HydrophobicContact CG-CG2 4.15Å; L390-I392 PolarHBondContact O-N 2.96Å
391K97.6Very high95.9Very high72 Ų7229.8 Ų29.831%0.31317%0.17SC..EExtended strand (participates in β ladder)trans-73.3113.7167.3-169.8-173.4-50.1-170.70108.7E352 Y354 C370 N394E352-K391 HydrophobicContact CG-CD 4.48Å; E352-K391 WeakPolarHBondContact OE1-CE 3.37Å; E352-K391 IonicContact OE1-NZ 2.66Å; E352-K391 PolarHBondContact OE1-NZ 2.76Å; E352-K391 IonicContact OE2-NZ 3.83Å; Y354-K391 HydrophobicContact CD1-CB 3.91Å; Y354-K391 HydrophobicContact CD1-CG 4.38Å; Y354-K391 HydrophobicContact CE1-CB 3.67Å; Y354-K391 HydrophobicContact CE1-CG 4.01Å; Y354-K391 HydrophobicContact CE2-CG 4.45Å; Y354-K391 VanDerWaalsContact OH-CE 3.24Å; Y354-K391 WeakPolarHBondContact OH-CE 3.4Å; C370-K391 PolarHBondContact SG-O 3.44Å; K391-N394 HydrophobicContact CD-CB 4.44Å
392I98.2Very high95.8Very high2 Ų229.8 Ų29.81%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-103.6-14.2-174.857.7164.1000112.6L346 V353 A355 V365 S367 L390 I422L346-I392 HydrophobicContact CD2-CD1 4Å; V353-I392 HydrophobicContact CB-CG1 4.16Å; V353-I392 HydrophobicContact CG1-CD1 3.87Å; V353-I392 HydrophobicContact CG1-CG1 3.88Å; V353-I392 WeakPolarHBondContact O-CG1 3.48Å; V353-I392 PolarHBondContact O-N 3.3Å; A355-I392 HydrophobicContact CB-CD1 3.93Å; A355-I392 HydrophobicContact CB-CG1 4.35Å; A355-I392 HydrophobicContact CB-CG2 3.92Å; V365-I392 HydrophobicContact CG1-CG2 3.94Å; S367-I392 VanDerWaalsContact CB-O 3.29Å; S367-I392 WeakPolarHBondContact CB-O 3.45Å; S367-I392 PolarHBondContact OG-O 2.71Å; L390-I392 HydrophobicContact CB-CG2 4.44Å; L390-I392 HydrophobicContact CD2-CG2 4.28Å; L390-I392 HydrophobicContact CG-CG2 4.15Å; L390-I392 PolarHBondContact O-N 2.96Å; I392-I422 HydrophobicContact CB-CD1 4.33Å; I392-I422 HydrophobicContact CD1-CD1 3.91Å; I392-I422 HydrophobicContact CD1-CG2 4.32Å; I392-I422 HydrophobicContact CG1-CD1 4.19Å
393F98.3Very high95.5Very high1 Ų131.5 Ų31.50%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-152.6145.5173.5-160.2-92.8000112.3E352 V353 N369 N395 F398 M419 I422 L450 P453E352-F393 CarbonylContact C-O 3.57Å; E352-F393 WeakPolarHBondContact CA-O 3.45Å; V353-F393 HydrophobicContact CB-CB 3.79Å; V353-F393 HydrophobicContact CG2-CB 3.94Å; V353-F393 PolarHBondContact N-O 3.15Å; V353-F393 PolarHBondContact O-N 3.3Å; V353-F393 VanDerWaalsContact O-N 3.12Å; N369-F393 HydrophobicContact CB-CD2 3.54Å; N369-F393 HydrophobicContact CB-CE2 3.75Å; N369-F393 HydrophobicContact CB-CG 4.37Å; N369-F393 VanDerWaalsContact OD1-CA 3.23Å; N369-F393 WeakPolarHBondContact OD1-CA 3.34Å; F393-N395 WeakPolarHBondContact CE1-OD1 3.49Å; F393-F398 HydrophobicContact CE1-CB 3.95Å; F393-F398 HydrophobicContact CE1-CG 4.38Å; F393-F398 HydrophobicContact CE2-CD2 4.49Å; F393-F398 HydrophobicContact CZ-CB 3.66Å; F393-F398 AromaticContact CZ-CD2 3.88Å; F393-F398 HydrophobicContact CZ-CD2 3.88Å; F393-F398 AromaticContact CZ-CG 3.77Å; F393-F398 HydrophobicContact CZ-CG 3.77Å; F393-M419 WeakPolarHBondContact CE2-O 3.24Å; F393-I422 HydrophobicContact CB-CD1 4.21Å; F393-I422 HydrophobicContact CD2-CD1 4.35Å; F393-L450 HydrophobicContact CB-CD1 3.85Å; F393-L450 HydrophobicContact CD1-CD1 3.67Å; F393-L450 HydrophobicContact CD2-CD1 3.33Å; F393-L450 HydrophobicContact CE1-CD1 4Å; F393-L450 HydrophobicContact CE2-CD1 3.68Å; F393-L450 HydrophobicContact CG-CD1 3.32Å; F393-L450 HydrophobicContact CZ-CD1 3.99Å; F393-P453 HydrophobicContact CD1-CG 4.49Å; F393-P453 HydrophobicContact CE1-CB 4.34Å; F393-P453 HydrophobicContact CE1-CG 3.5Å; F393-P453 VanDerWaalsContact CE1-CG 3.5Å; F393-P453 HydrophobicContact CZ-CB 3.95Å; F393-P453 HydrophobicContact CZ-CG 3.58Å
394N96.6Very high95.1Very high22 Ų2232.9 Ų32.912%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-133.8121.9170.5-179.9-56.2000110.8E352 N369 K391 Q396 E397 F398E352-N394 PolarHBondContact OE1-ND2 3.47Å; N369-N394 PolarHBondContact OD1-N 3.27Å; K391-N394 HydrophobicContact CD-CB 4.44Å; N394-Q396 PolarHBondContact O-N 3.04Å; N394-Q396 WeakPolarHBondContact OD1-CA 2.95Å; N394-Q396 VanDerWaalsContact OD1-CB 3.29Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.27Å; N394-Q396 PolarHBondContact OD1-N 3.43Å; N394-E397 HydrophobicContact CB-CB 4.26Å; N394-E397 PolarHBondContact O-N 3.06Å; N394-E397 PolarHBondContact OD1-N 3.36Å; N394-E397 VanDerWaalsContact OD1-N 3.07Å; N394-F398 PolarHBondContact O-N 2.77Å; N394-F398 VanDerWaalsContact O-N 3.11Å
395N94.9Very high94.6Very high4 Ų433 Ų332%0.02119%0.193CC..Hα-helixtrans-66.6-31.6-178-77.3-7.6000113.7L136 Y275 Y348 G351 F393 A399L136-N395 HydrophobicContact CD1-CB 3.82Å; Y275-N395 PolarHBondContact OH-ND2 3.42Å; Y348-N395 PolarHBondContact OH-ND2 2.78Å; G351-N395 VanDerWaalsContact O-CB 3.22Å; G351-N395 WeakPolarHBondContact O-CB 3.17Å; G351-N395 VanDerWaalsContact O-CG 3.27Å; G351-N395 PolarHBondContact O-N 2.76Å; F393-N395 WeakPolarHBondContact CE1-OD1 3.49Å; N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 3.12Å
396Q93.6Very high94.2Very high90 Ų9031.5 Ų31.542%0.42118%0.183SC..Hα-helixtrans-67.9-42.3177.7-64.3-178-17.300111.2P134 L136 N394 A399 Q400P134-Q396 HydrophobicContact CG-CG 3.99Å; L136-Q396 HydrophobicContact CD2-CB 4.29Å; L136-Q396 HydrophobicContact CD2-CG 3.61Å; N394-Q396 PolarHBondContact O-N 3.04Å; N394-Q396 WeakPolarHBondContact OD1-CA 2.95Å; N394-Q396 VanDerWaalsContact OD1-CB 3.29Å; N394-Q396 WeakPolarHBondContact OD1-CB 3.27Å; N394-Q396 PolarHBondContact OD1-N 3.43Å; Q396-A399 WeakPolarHBondContact O-CB 3.18Å; Q396-A399 PolarHBondContact O-N 2.88Å; Q396-Q400 WeakPolarHBondContact O-CG 3.07Å; Q396-Q400 PolarHBondContact O-N 3.33Å
397E93.7Very high93.6Very high24 Ų2433.8 Ų33.811%0.11219%0.191CC..Hα-helixtrans-65.5-41.8176.6-173.8174.9-121.700111.1N369 F372 H373 N394 A399 Q400 L401N369-E397 PolarHBondContact ND2-OE2 2.86Å; N369-E397 PolarHBondContact OD1-OE2 3.21Å; F372-E397 HydrophobicContact CD1-CG 4.24Å; F372-E397 HydrophobicContact CE1-CG 4.41Å; H373-E397 VanDerWaalsContact CA-OE1 3.31Å; H373-E397 WeakPolarHBondContact CA-OE1 3.26Å; H373-E397 WeakPolarHBondContact CB-OE1 3.47Å; H373-E397 IonicContact CG-OE1 2.76Å; H373-E397 IonicContact ND1-OE1 2.94Å; H373-E397 PolarHBondContact ND1-OE1 3.19Å; H373-E397 IonicContact ND1-OE2 2.89Å; N394-E397 HydrophobicContact CB-CB 4.26Å; N394-E397 PolarHBondContact O-N 3.06Å; N394-E397 PolarHBondContact OD1-N 3.36Å; N394-E397 VanDerWaalsContact OD1-N 3.07Å; E397-A399 PolarHBondContact O-N 3.22Å; E397-Q400 PolarHBondContact O-N 3.48Å; E397-L401 WeakPolarHBondContact O-CG 3.3Å; E397-L401 PolarHBondContact O-N 3.45Å
398F95.9Very high93.1Very high1 Ų133.6 Ų33.60%0.00418%0.175CC..Hα-helixtrans-60.8-43.1172.4-179.3-99.5000112.4F393 N394 Q400 L401 L402 L416 M419 P453 W456F393-F398 HydrophobicContact CE1-CB 3.95Å; F393-F398 HydrophobicContact CE1-CG 4.38Å; F393-F398 HydrophobicContact CE2-CD2 4.49Å; F393-F398 HydrophobicContact CZ-CB 3.66Å; F393-F398 AromaticContact CZ-CD2 3.88Å; F393-F398 HydrophobicContact CZ-CD2 3.88Å; F393-F398 AromaticContact CZ-CG 3.77Å; F393-F398 HydrophobicContact CZ-CG 3.77Å; N394-F398 PolarHBondContact O-N 2.77Å; N394-F398 VanDerWaalsContact O-N 3.11Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.99Å; F398-L401 PolarHBondContact O-N 2.93Å; F398-L402 HydrophobicContact CE1-CD2 4.01Å; F398-L402 WeakPolarHBondContact O-CB 3.15Å; F398-L402 PolarHBondContact O-N 3.49Å; F398-L416 HydrophobicContact CE2-CB 4.23Å; F398-M419 HydrophobicContact CD2-CB 4.2Å; F398-M419 HydrophobicContact CE2-CB 4.09Å; F398-P453 HydrophobicContact CD1-CB 3.95Å; F398-P453 HydrophobicContact CE1-CB 3.7Å; F398-P453 HydrophobicContact CE2-CB 4.41Å; F398-P453 HydrophobicContact CG-CB 4.41Å; F398-P453 HydrophobicContact CZ-CB 3.95Å; F398-W456 HydrophobicContact CD1-CE3 4.49Å
399A92.8Very high92.5Very high5 Ų532.4 Ų32.44%0.04117%0.169CC..Hα-helixtrans-58.3-44.2177.200000112.1N395 Q396 E397 L402 A403 W456N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 3.12Å; Q396-A399 WeakPolarHBondContact O-CB 3.18Å; Q396-A399 PolarHBondContact O-N 2.88Å; E397-A399 PolarHBondContact O-N 3.22Å; A399-L402 PolarHBondContact O-N 3.33Å; A399-A403 WeakPolarHBondContact O-CB 3.31Å; A399-A403 PolarHBondContact O-N 3.15Å; A399-W456 HydrophobicContact CB-CH2 3.47Å; A399-W456 VanDerWaalsContact CB-CH2 3.47Å; A399-W456 HydrophobicContact CB-CZ3 3.49Å; A399-W456 VanDerWaalsContact CB-CZ3 3.49Å
400Q92.3Very high92.1Very high115 Ų11533.1 Ų33.154%0.53717%0.167SC..Hα-helixtrans-63.1-45.8177.4-70.4170.64.700111.3Q396 E397 F398 L402 A403 Q404Q396-Q400 WeakPolarHBondContact O-CG 3.07Å; Q396-Q400 PolarHBondContact O-N 3.33Å; E397-Q400 PolarHBondContact O-N 3.48Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.99Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; Q400-L402 PolarHBondContact O-N 3.12Å; Q400-A403 PolarHBondContact O-N 2.66Å; Q400-Q404 WeakPolarHBondContact O-CB 3.35Å; Q400-Q404 VanDerWaalsContact O-CG 3.23Å; Q400-Q404 WeakPolarHBondContact O-CG 3.37Å; Q400-Q404 PolarHBondContact O-N 3.14Å
401L93Very high91.6Very high6 Ų638.7 Ų38.73%0.03119%0.193CC..Hα-helixtrans-63-40.9176.9-74.4174.1000112.4F372 E397 F398 Q404 S405 M419F372-L401 HydrophobicContact CD1-CD1 3.88Å; F372-L401 HydrophobicContact CD1-CD2 4.47Å; F372-L401 HydrophobicContact CE1-CD1 4Å; F372-L401 HydrophobicContact CE1-CD2 3.85Å; F372-L401 HydrophobicContact CE1-CG 4.18Å; F372-L401 HydrophobicContact CE2-CD2 4.02Å; F372-L401 HydrophobicContact CG-CD1 4.23Å; F372-L401 HydrophobicContact CZ-CD1 4.46Å; F372-L401 HydrophobicContact CZ-CD2 3.6Å; F372-L401 HydrophobicContact CZ-CG 4.43Å; E397-L401 WeakPolarHBondContact O-CG 3.3Å; E397-L401 PolarHBondContact O-N 3.45Å; F398-L401 PolarHBondContact O-N 2.93Å; L401-Q404 PolarHBondContact O-N 2.68Å; L401-S405 VanDerWaalsContact O-CB 3.24Å; L401-S405 WeakPolarHBondContact O-CB 3.49Å; L401-S405 PolarHBondContact O-N 3Å; L401-S405 PolarHBondContact O-OG 3.36Å; L401-M419 HydrophobicContact CD1-CE 3.49Å; L401-M419 VanDerWaalsContact CD1-CE 3.49Å
402L94Very high91.1Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-63.4-51176.918055.1000111V139 F398 A399 Q400 Q404 S405 V406 V413 L416 W456 L457 V460V139-L402 HydrophobicContact CG1-CG 4.33Å; V139-L402 HydrophobicContact CG2-CB 4.39Å; V139-L402 HydrophobicContact CG2-CD2 3.91Å; V139-L402 HydrophobicContact CG2-CG 3.88Å; F398-L402 HydrophobicContact CE1-CD2 4.01Å; F398-L402 WeakPolarHBondContact O-CB 3.15Å; F398-L402 PolarHBondContact O-N 3.49Å; A399-L402 PolarHBondContact O-N 3.33Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; Q400-L402 PolarHBondContact O-N 3.12Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 2.85Å; L402-S405 PolarHBondContact O-N 3.27Å; L402-S405 VanDerWaalsContact O-N 3.12Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 3.4Å; L402-V406 VanDerWaalsContact O-N 3.12Å; L402-V413 HydrophobicContact CD1-CG1 3.89Å; L402-L416 HydrophobicContact CB-CD1 4.15Å; L402-L416 HydrophobicContact CD1-CD1 3.82Å; L402-W456 HydrophobicContact CD2-CB 4.48Å; L402-W456 HydrophobicContact CD2-CD2 4Å; L402-W456 HydrophobicContact CD2-CE3 4.43Å; L402-W456 HydrophobicContact CD2-CG 3.98Å; L402-L457 HydrophobicContact CD1-CD1 3.59Å; L402-V460 HydrophobicContact CD1-CB 4.41Å; L402-V460 HydrophobicContact CD1-CG1 4.2Å; L402-V460 HydrophobicContact CD1-CG2 4.39Å; L402-V460 HydrophobicContact CD2-CG2 4.12Å; L402-V460 HydrophobicContact CG-CG2 4.39Å
403A90.4Very high90.7Very high39 Ų3935.6 Ų35.632%0.32218%0.181SC..Hα-helixtrans-59-39.3178.100000112.6V139 A399 Q400 N407V139-A403 HydrophobicContact CG2-CB 4.35Å; A399-A403 WeakPolarHBondContact O-CB 3.31Å; A399-A403 PolarHBondContact O-N 3.15Å; Q400-A403 PolarHBondContact O-N 2.66Å; A403-N407 PolarHBondContact O-ND2 3.34Å
404Q89.6Confident90.3Very high92 Ų9242 Ų4243%0.4321%0.206SC..Hα-helixtrans-68.6-43.5174.9-69.8171.22400111.5L153 Q400 L401 L402 V406 N407 H408L153-Q404 HydrophobicContact CD1-CB 3.98Å; Q400-Q404 WeakPolarHBondContact O-CB 3.35Å; Q400-Q404 VanDerWaalsContact O-CG 3.23Å; Q400-Q404 WeakPolarHBondContact O-CG 3.37Å; Q400-Q404 PolarHBondContact O-N 3.14Å; L401-Q404 PolarHBondContact O-N 2.68Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 2.85Å; Q404-V406 VanDerWaalsContact C-N 3.29Å; Q404-V406 PolarHBondContact O-N 2.86Å; Q404-N407 PolarHBondContact O-N 3.13Å; Q404-H408 PolarHBondContact O-CE1 2.94Å; Q404-H408 PolarHBondContact O-ND1 3.14Å
405S89.1Confident90Very high3 Ų343.9 Ų43.92%0.02121%0.214CC..Hα-helixtrans-66.5-27.4-174.8-61.30000113.4L401 L402 N407 H408 V413L401-S405 VanDerWaalsContact O-CB 3.24Å; L401-S405 WeakPolarHBondContact O-CB 3.49Å; L401-S405 PolarHBondContact O-N 3Å; L401-S405 PolarHBondContact O-OG 3.36Å; L402-S405 PolarHBondContact O-N 3.27Å; L402-S405 VanDerWaalsContact O-N 3.12Å; S405-N407 PolarHBondContact O-N 2.7Å; S405-H408 WeakPolarHBondContact O-CA 3.26Å; S405-H408 WeakPolarHBondContact O-CB 3.23Å; S405-H408 PolarHBondContact O-N 3.06Å; S405-V413 WeakPolarHBondContact O-CG2 3.47Å
406V88.7Confident90Very high1 Ų143.9 Ų43.91%0.00621%0.214CC..Hα-helixtrans-54.4-40.1174169.10000111.7V139 V141 P142 F147 L402 Q404 H408 G409 V413 V460 M464V139-V406 HydrophobicContact CG1-CG2 3.71Å; V141-V406 HydrophobicContact CG1-CG1 4.48Å; P142-V406 VanDerWaalsContact CD-CG1 3.48Å; F147-V406 WeakPolarHBondContact CE1-O 3.34Å; L402-V406 WeakPolarHBondContact O-CG2 3.29Å; L402-V406 PolarHBondContact O-N 3.4Å; L402-V406 VanDerWaalsContact O-N 3.12Å; Q404-V406 VanDerWaalsContact C-N 3.29Å; Q404-V406 PolarHBondContact O-N 2.86Å; V406-H408 PolarHBondContact O-N 3.17Å; V406-H408 VanDerWaalsContact O-N 3.16Å; V406-G409 PolarHBondContact O-N 2.95Å; V406-V413 HydrophobicContact CG2-CG2 4.17Å; V406-V460 HydrophobicContact CG2-CG1 3.59Å; V406-M464 HydrophobicContact CG1-CE 4.43Å; V406-M464 HydrophobicContact CG2-SD 4.36Å; V406-M464 WeakPolarHBondContact O-CE 3.45Å
407N84.4Confident90Very high106 Ų10641.8 Ų41.857%0.56721%0.208SC*.THydrogen-bonded Turntrans-70.7-9.1179-58.5-57.9000113.5A403 Q404 S405A403-N407 PolarHBondContact O-ND2 3.34Å; Q404-N407 PolarHBondContact O-N 3.13Å; S405-N407 PolarHBondContact O-N 2.7Å
408H82.3Confident90Very high51 Ų5145 Ų4524%0.23622%0.221CC..THydrogen-bonded Turntrans-106.34.9-176.2-59.1102.5000113.4H151 L153 Q404 S405 V406 A412H151-H408 PolarHBondContact O-CD2 3.05Å; H151-H408 PolarHBondContact O-NE2 2.86Å; L153-H408 VanDerWaalsContact CG-CE1 3.49Å; L153-H408 WeakPolarHBondContact CG-CE1 3.42Å; L153-H408 PolarHBondContact N-CD2 3.01Å; Q404-H408 PolarHBondContact O-CE1 2.94Å; Q404-H408 PolarHBondContact O-ND1 3.14Å; S405-H408 WeakPolarHBondContact O-CA 3.26Å; S405-H408 WeakPolarHBondContact O-CB 3.23Å; S405-H408 PolarHBondContact O-N 3.06Å; V406-H408 PolarHBondContact O-N 3.17Å; V406-H408 VanDerWaalsContact O-N 3.16Å; H408-A412 HydrophobicContact CB-CB 3.72Å
409G84.3Confident90Very high7 Ų745.1 Ų45.17%0.07222%0.222CC..  trans94.5172.2173.900000114.8F147 V406 E411 A412 V413F147-G409 VanDerWaalsContact CE1-CA 3.42Å; V406-G409 PolarHBondContact O-N 2.95Å; G409-E411 PolarHBondContact O-N 3.4Å; G409-A412 PolarHBondContact O-N 3.03Å; G409-V413 PolarHBondContact O-N 2.86Å
410F86.6Confident90.2Very high49 Ų4944.9 Ų44.922%0.21522%0.22CC..Hα-helixtrans-56.4-44.9-173.5-177.1-82.6000113A412 V413 Y414 L461 M464 G465 P467F410-A412 VanDerWaalsContact C-N 3.34Å; F410-A412 PolarHBondContact O-N 3.36Å; F410-V413 PolarHBondContact O-N 3.24Å; F410-Y414 HydrophobicContact CE1-CD2 4.21Å; F410-Y414 HydrophobicContact CE1-CG 4.3Å; F410-Y414 WeakPolarHBondContact O-CB 3.08Å; F410-Y414 PolarHBondContact O-N 3.17Å; F410-L461 HydrophobicContact CD2-CD2 3.96Å; F410-L461 HydrophobicContact CE1-CD2 4.43Å; F410-L461 HydrophobicContact CE2-CB 4.45Å; F410-L461 HydrophobicContact CE2-CD2 3.71Å; F410-L461 HydrophobicContact CG-CD2 4.43Å; F410-L461 HydrophobicContact CZ-CD2 3.97Å; F410-M464 HydrophobicContact CD2-CB 4.28Å; F410-G465 WeakPolarHBondContact CD2-O 3.33Å; F410-G465 WeakPolarHBondContact CE2-O 3.36Å; F410-P467 HydrophobicContact CD1-CB 4.41Å; F410-P467 HydrophobicContact CD1-CG 3.74Å; F410-P467 HydrophobicContact CE1-CG 3.66Å; F410-P467 HydrophobicContact CG-CG 4.43Å; F410-P467 HydrophobicContact CZ-CG 4.28Å
411E86.8Confident90.5Very high123 Ų12340.7 Ų40.758%0.57520%0.202SC*.Hα-helixtrans-63.4-39.4-176.8-172.6176.9-172.300112.3G409 V413 Y414 E415G409-E411 PolarHBondContact O-N 3.4Å; E411-V413 PolarHBondContact O-N 2.94Å; E411-Y414 PolarHBondContact O-N 3.43Å; E411-E415 PolarHBondContact O-N 3.26Å
412A87.4Confident90.7Very high8 Ų840.5 Ų40.57%0.06620%0.201CC..Hα-helixtrans-63.8-42.1177.500000111.5H408 G409 F410H408-A412 HydrophobicContact CB-CB 3.72Å; G409-A412 PolarHBondContact O-N 3.03Å; F410-A412 VanDerWaalsContact C-N 3.34Å; F410-A412 PolarHBondContact O-N 3.36Å
413V90.8Very high91Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-67.6-44.9174.8179.50000110.6L402 S405 V406 G409 F410 E411 E415 L416 L457 V460 L461 M464L402-V413 HydrophobicContact CD1-CG1 3.89Å; S405-V413 WeakPolarHBondContact O-CG2 3.47Å; V406-V413 HydrophobicContact CG2-CG2 4.17Å; G409-V413 PolarHBondContact O-N 2.86Å; F410-V413 PolarHBondContact O-N 3.24Å; E411-V413 PolarHBondContact O-N 2.94Å; V413-E415 VanDerWaalsContact C-N 3.29Å; V413-E415 PolarHBondContact O-N 3.47Å; V413-L416 VanDerWaalsContact O-CB 3.23Å; V413-L416 WeakPolarHBondContact O-CB 3.47Å; V413-L416 PolarHBondContact O-N 3.32Å; V413-L457 HydrophobicContact CG1-CD1 3.46Å; V413-L457 VanDerWaalsContact CG1-CD1 3.46Å; V413-L457 WeakPolarHBondContact O-CD1 3.49Å; V413-V460 HydrophobicContact CG1-CG1 4.05Å; V413-L461 HydrophobicContact CB-CD2 3.92Å; V413-L461 HydrophobicContact CG1-CD2 3.57Å; V413-L461 HydrophobicContact CG1-CG 3.82Å; V413-M464 HydrophobicContact CB-SD 4.05Å; V413-M464 HydrophobicContact CG1-SD 4.26Å; V413-M464 HydrophobicContact CG2-CE 4.02Å; V413-M464 HydrophobicContact CG2-SD 3.61Å
414Y89.9Confident91.4Very high135 Ų13543 Ų4353%0.52920%0.203SC..Hα-helixtrans-59.2-38.2180-174.4-99.4000112.7F410 E411 L416 T417 L461F410-Y414 HydrophobicContact CE1-CD2 4.21Å; F410-Y414 HydrophobicContact CE1-CG 4.3Å; F410-Y414 WeakPolarHBondContact O-CB 3.08Å; F410-Y414 PolarHBondContact O-N 3.17Å; E411-Y414 PolarHBondContact O-N 3.43Å; Y414-L416 PolarHBondContact O-N 2.88Å; Y414-T417 VanDerWaalsContact O-CB 3.22Å; Y414-T417 WeakPolarHBondContact O-CB 3.23Å; Y414-T417 PolarHBondContact O-N 3.45Å; Y414-T417 PolarHBondContact O-OG1 3.12Å; Y414-L461 HydrophobicContact CD2-CD1 4.21Å
415E90.7Very high91.8Very high63 Ų6338.7 Ų38.729%0.29418%0.182SC..Hα-helixtrans-60.2-26.6174.6-83.4-67.6135.100113.6R368 E411 V413 T417 K418R368-E415 IonicContact NH1-OE2 2.84Å; E411-E415 PolarHBondContact O-N 3.26Å; V413-E415 VanDerWaalsContact C-N 3.29Å; V413-E415 PolarHBondContact O-N 3.47Å; E415-T417 PolarHBondContact O-N 3.12Å; E415-T417 VanDerWaalsContact O-N 3.14Å; E415-K418 WeakPolarHBondContact O-CB 3.32Å; E415-K418 PolarHBondContact O-N 2.88Å; E415-K418 WeakPolarHBondContact OE1-CE 3.3Å; E415-K418 IonicContact OE1-NZ 3.14Å; E415-K418 PolarHBondContact OE1-NZ 3.33Å; E415-K418 WeakPolarHBondContact OE2-CD 2.82Å; E415-K418 VanDerWaalsContact OE2-CE 3.31Å; E415-K418 WeakPolarHBondContact OE2-CE 3.47Å; E415-K418 IonicContact OE2-NZ 3.32Å; E415-K418 PolarHBondContact OE2-NZ 2.84Å
416L93.5Very high92.3Very high4 Ų438.6 Ų38.62%0.02118%0.181CC..G310 helixtrans-64.2-15.1174.7-62.4177.7000112.8F398 L402 V413 Y414 K418 M419 L457F398-L416 HydrophobicContact CE2-CB 4.23Å; L402-L416 HydrophobicContact CB-CD1 4.15Å; L402-L416 HydrophobicContact CD1-CD1 3.82Å; V413-L416 VanDerWaalsContact O-CB 3.23Å; V413-L416 WeakPolarHBondContact O-CB 3.47Å; V413-L416 PolarHBondContact O-N 3.32Å; Y414-L416 PolarHBondContact O-N 2.88Å; L416-K418 PolarHBondContact O-N 2.81Å; L416-K418 VanDerWaalsContact O-N 3.13Å; L416-M419 HydrophobicContact CD2-CG 3.91Å; L416-M419 WeakPolarHBondContact O-CA 3.38Å; L416-M419 VanDerWaalsContact O-CB 3.22Å; L416-M419 WeakPolarHBondContact O-CB 3.49Å; L416-M419 PolarHBondContact O-N 3.25Å; L416-L457 HydrophobicContact CB-CD1 3.95Å; L416-L457 HydrophobicContact CB-CD2 4.34Å; L416-L457 HydrophobicContact CD1-CD1 4.36Å
417T94.5Very high92.7Very high46 Ų4640 Ų4028%0.28219%0.19SC..G310 helixtrans-52.1-36.8169.7-53.90000110.8Y414 E415 M419 C420 L454 L457Y414-T417 VanDerWaalsContact O-CB 3.22Å; Y414-T417 WeakPolarHBondContact O-CB 3.23Å; Y414-T417 PolarHBondContact O-N 3.45Å; Y414-T417 PolarHBondContact O-OG1 3.12Å; E415-T417 PolarHBondContact O-N 3.12Å; E415-T417 VanDerWaalsContact O-N 3.14Å; T417-M419 VanDerWaalsContact C-N 3.25Å; T417-M419 PolarHBondContact O-N 3.04Å; T417-C420 PolarHBondContact O-N 3.49Å; T417-C420 VanDerWaalsContact O-N 3.17Å; T417-L454 HydrophobicContact CG2-CD2 4.17Å; T417-L457 WeakPolarHBondContact OG1-CD2 3.46Å
418K94.1Very high93.3Very high91 Ų9138.9 Ų38.940%0.39618%0.18SC..G310 helixtrans-71.6-17.7179.1-56.8178.1-171.7160.80113.1R368 E415 L416 C420R368-K418 WeakPolarHBondContact CD-O 3.32Å; R368-K418 VanDerWaalsContact CZ-CB 3.41Å; R368-K418 VanDerWaalsContact CZ-CD 3.47Å; R368-K418 VanDerWaalsContact NH1-CD 3.29Å; E415-K418 WeakPolarHBondContact O-CB 3.32Å; E415-K418 PolarHBondContact O-N 2.88Å; E415-K418 WeakPolarHBondContact OE1-CE 3.3Å; E415-K418 IonicContact OE1-NZ 3.14Å; E415-K418 PolarHBondContact OE1-NZ 3.33Å; E415-K418 WeakPolarHBondContact OE2-CD 2.82Å; E415-K418 VanDerWaalsContact OE2-CE 3.31Å; E415-K418 WeakPolarHBondContact OE2-CE 3.47Å; E415-K418 IonicContact OE2-NZ 3.32Å; E415-K418 PolarHBondContact OE2-NZ 2.84Å; L416-K418 PolarHBondContact O-N 2.81Å; L416-K418 VanDerWaalsContact O-N 3.13Å; K418-C420 VanDerWaalsContact C-N 3.35Å
419M94.6Very high94Very high4 Ų436.7 Ų36.72%0.0217%0.172CC..G310 helixtrans-74.2-30.1172.4-62.4-78.1-73.300111.4R368 N369 F393 F398 L401 L416 T417 T421R368-M419 HydrophobicContact CB-CG 4.42Å; R368-M419 HydrophobicContact CB-SD 3.28Å; R368-M419 WeakPolarHBondContact CB-SD 3.35Å; R368-M419 HydrophobicContact CG-SD 4.43Å; N369-M419 VanDerWaalsContact CA-CE 3.49Å; N369-M419 HydrophobicContact CB-CE 3.84Å; F393-M419 WeakPolarHBondContact CE2-O 3.24Å; F398-M419 HydrophobicContact CD2-CB 4.2Å; F398-M419 HydrophobicContact CE2-CB 4.09Å; L401-M419 HydrophobicContact CD1-CE 3.49Å; L401-M419 VanDerWaalsContact CD1-CE 3.49Å; L416-M419 HydrophobicContact CD2-CG 3.91Å; L416-M419 WeakPolarHBondContact O-CA 3.38Å; L416-M419 VanDerWaalsContact O-CB 3.22Å; L416-M419 WeakPolarHBondContact O-CB 3.49Å; L416-M419 PolarHBondContact O-N 3.25Å; T417-M419 VanDerWaalsContact C-N 3.25Å; T417-M419 PolarHBondContact O-N 3.04Å; M419-T421 PolarHBondContact O-N 2.9Å
420C97.4Very high94.6Very high0 Ų036.6 Ų36.60%017%0.169CC..SBendtrans-80.4-3.1-178-49.90000113.6T417 K418 L450 P453 L454T417-C420 PolarHBondContact O-N 3.49Å; T417-C420 VanDerWaalsContact O-N 3.17Å; K418-C420 VanDerWaalsContact C-N 3.35Å; C420-L450 PolarHBondContact O-N 3.03Å; C420-P453 HydrophobicContact CB-CB 4.28Å; C420-P453 VanDerWaalsContact SG-CB 3.58Å; C420-L454 HydrophobicContact CB-CD1 4.45Å; C420-L454 HydrophobicContact CB-CD2 3.6Å; C420-L454 HydrophobicContact CB-CG 3.6Å
421T98Very high95Very high27 Ų2734.3 Ų34.317%0.16616%0.159CC..EExtended strand (participates in β ladder)trans-112.9125.8177.6-59.80000110.3M419 E447 V448 H449M419-T421 PolarHBondContact O-N 2.9Å; T421-E447 HydrophobicContact CG2-CG 3.38Å; T421-V448 WeakPolarHBondContact CA-O 3.37Å; T421-H449 PolarHBondContact OG1-CD2 2.66Å
422I98.7Very high94.9Very high1 Ų130.2 Ų30.21%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-117.2132.5177.6-59.6174.7000108.7V365 I392 F393 V448 L450V365-I422 HydrophobicContact CG1-CG2 3.75Å; I392-I422 HydrophobicContact CB-CD1 4.33Å; I392-I422 HydrophobicContact CD1-CD1 3.91Å; I392-I422 HydrophobicContact CD1-CG2 4.32Å; I392-I422 HydrophobicContact CG1-CD1 4.19Å; F393-I422 HydrophobicContact CB-CD1 4.21Å; F393-I422 HydrophobicContact CD2-CD1 4.35Å; I422-V448 HydrophobicContact CB-CB 4.36Å; I422-V448 PolarHBondContact N-O 3.44Å; I422-V448 PolarHBondContact O-N 3.48Å; I422-L450 HydrophobicContact CD1-CD1 4.1Å
423R98.7Very high94.7Very high92 Ų9235.2 Ų35.235%0.34717%0.168SC..EExtended strand (participates in β ladder)trans-110.7137.7179-66177.8172.4163.40.1110.3V365 Q366 W430 W445 E447V365-R423 CarbonylContact C-O 3.52Å; V365-R423 WeakPolarHBondContact CA-O 3.22Å; Q366-R423 PolarHBondContact N-O 3.35Å; Q366-R423 PolarHBondContact O-N 3.42Å; R423-W430 HydrophobicContact CB-CZ2 4.43Å; R423-W445 HydrophobicContact CG-CZ3 4.18Å; R423-E447 HydrophobicContact CG-CG 4.21Å; R423-E447 IonicContact CZ-OE2 2.66Å; R423-E447 IonicContact NE-OE2 2.76Å; R423-E447 PolarHBondContact NE-OE2 2.99Å; R423-E447 IonicContact NH2-OE2 2.66Å; R423-E447 PolarHBondContact NH2-OE2 3.49Å; R423-E447 VanDerWaalsContact NH2-OE2 3.12Å
424M98.7Very high94.7Very high1 Ų138.1 Ų38.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-141.7127-178.5176.2166.340.600112.3V344 L346 I363 F364 V365 W445 I446V344-M424 HydrophobicContact CB-CE 4.25Å; V344-M424 HydrophobicContact CB-SD 4.18Å; V344-M424 HydrophobicContact CG1-CE 3.61Å; V344-M424 HydrophobicContact CG1-SD 4.09Å; V344-M424 HydrophobicContact CG2-CE 3.93Å; V344-M424 HydrophobicContact CG2-SD 3.83Å; L346-M424 HydrophobicContact CD1-CE 4.43Å; L346-M424 HydrophobicContact CD2-CE 4.08Å; I363-M424 HydrophobicContact CB-CG 4.31Å; I363-M424 HydrophobicContact CB-SD 4.19Å; I363-M424 HydrophobicContact CD1-SD 3.72Å; I363-M424 HydrophobicContact CG1-SD 4.26Å; F364-M424 CarbonylContact O-C 3.52Å; F364-M424 WeakPolarHBondContact O-CA 3.47Å; V365-M424 HydrophobicContact CG2-CB 4.2Å; V365-M424 HydrophobicContact CG2-CG 3.86Å; V365-M424 HydrophobicContact CG2-SD 3.69Å; M424-W445 CarbonylContact O-C 3.59Å; M424-W445 WeakPolarHBondContact O-CA 3.23Å; M424-W445 VanDerWaalsContact O-CB 3.23Å; M424-W445 WeakPolarHBondContact O-CB 3.4Å; M424-I446 HydrophobicContact CB-CG1 4.03Å; M424-I446 HydrophobicContact CE-CD1 3.49Å; M424-I446 VanDerWaalsContact CE-CD1 3.49Å; M424-I446 HydrophobicContact CE-CG1 3.97Å; M424-I446 PolarHBondContact N-O 3.49Å; M424-I446 PolarHBondContact O-N 3.31Å
425S98.8Very high94.8Very high0 Ų040 Ų400%019%0.193CC..EExtended strand (participates in β ladder)trans-104.7145.7175.2-166.40000111.8I363 F364 K428 T442 C444I363-S425 WeakPolarHBondContact CA-O 3.23Å; F364-S425 PolarHBondContact N-O 3.05Å; F364-S425 PolarHBondContact O-N 3.26Å; S425-K428 WeakPolarHBondContact CB-O 3.44Å; S425-K428 PolarHBondContact OG-O 2.97Å; S425-K428 VanDerWaalsContact OG-O 3.05Å; S425-T442 WeakPolarHBondContact OG-CB 3.44Å; S425-T442 WeakPolarHBondContact OG-CG2 3.41Å; S425-T442 PolarHBondContact OG-OG1 3.33Å; S425-C444 PolarHBondContact OG-O 3.13Å; S425-C444 VanDerWaalsContact OG-O 3.09Å
426F98.7Very high95Very high1 Ų140.3 Ų40.30%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-96.7137175.6-59.7-82.2000110.4V306 L321 I340 V344 I363 K428 C444 I446V306-F426 HydrophobicContact CG1-CZ 4.08Å; L321-F426 HydrophobicContact CD1-CD2 4.4Å; L321-F426 HydrophobicContact CD1-CE2 3.66Å; L321-F426 HydrophobicContact CD1-CZ 4Å; I340-F426 HydrophobicContact CD1-CB 4.42Å; I340-F426 HydrophobicContact CD1-CD2 4.21Å; I340-F426 HydrophobicContact CD1-CG 4.28Å; I340-F426 HydrophobicContact CG1-CB 3.89Å; I340-F426 HydrophobicContact CG1-CD1 4.43Å; I340-F426 HydrophobicContact CG1-CD2 4.47Å; I340-F426 HydrophobicContact CG1-CG 4.04Å; I340-F426 HydrophobicContact CG2-CD1 3.95Å; I340-F426 HydrophobicContact CG2-CE1 4.12Å; I340-F426 HydrophobicContact CG2-CG 4.34Å; V344-F426 HydrophobicContact CB-CE1 4.34Å; V344-F426 HydrophobicContact CG1-CE1 3.8Å; V344-F426 HydrophobicContact CG1-CZ 4.02Å; I363-F426 HydrophobicContact CG2-CD1 3.87Å; I363-F426 HydrophobicContact CG2-CE1 4.35Å; F426-K428 PolarHBondContact O-N 3.05Å; F426-C444 HydrophobicContact CB-CB 4.49Å; F426-C444 HydrophobicContact CD2-CB 4.34Å; F426-C444 PolarHBondContact N-O 2.99Å; F426-I446 HydrophobicContact CE2-CG1 4.39Å; F426-I446 HydrophobicContact CE2-CG2 3.93Å; F426-I446 HydrophobicContact CZ-CD1 4.28Å; F426-I446 HydrophobicContact CZ-CG1 4.5Å; F426-I446 HydrophobicContact CZ-CG2 4.44Å
427V98Very high95Very high30 Ų3044.2 Ų44.218%0.18221%0.209CC..SBendtrans67.7-39.4172-165.20000114.8T336 H339 T361 S362T336-V427 HydrophobicContact CG2-CB 3.91Å; T336-V427 HydrophobicContact CG2-CG2 3.78Å; H339-V427 HydrophobicContact CB-CG1 4.25Å; H339-V427 HydrophobicContact CB-CG2 3.73Å; T361-V427 HydrophobicContact CG2-CG1 4.47Å; S362-V427 WeakPolarHBondContact O-CA 3.3Å; S362-V427 PolarHBondContact O-N 2.76Å; S362-V427 VanDerWaalsContact O-N 3.08Å
428K97.8Very high95.1Very high83 Ų8346.9 Ų46.936%0.36122%0.222SC..  trans-115.5125.5-173.3-58.3-57-177.2-175.30110.8F364 S425 F426 P443F364-K428 VanDerWaalsContact CD2-C 3.41Å; F364-K428 WeakPolarHBondContact CD2-O 3.31Å; F364-K428 VanDerWaalsContact CE2-C 3.42Å; S425-K428 WeakPolarHBondContact CB-O 3.44Å; S425-K428 PolarHBondContact OG-O 2.97Å; S425-K428 VanDerWaalsContact OG-O 3.05Å; F426-K428 PolarHBondContact O-N 3.05Å; K428-P443 HydrophobicContact CG-CG 4.07Å
429G96.3Very high95.2Very high6 Ų643 Ų436%0.06221%0.206CC..  trans-78.9159.2172.800000112.8F364F364-G429 VanDerWaalsContact CE2-N 3.28Å; F364-G429 VanDerWaalsContact CG-CA 3.47Å
430W97.3Very high95.4Very high5 Ų545.6 Ų45.62%0.01922%0.222CC..  trans-137.4160.4166.779.4100.1000108.3F364 Q366 V381 R423 Y434 R436 V439 T442F364-W430 HydrophobicContact CB-CE3 4.04Å; F364-W430 HydrophobicContact CB-CH2 4.48Å; F364-W430 HydrophobicContact CB-CZ3 3.58Å; F364-W430 WeakPolarHBondContact O-CH2 3.22Å; F364-W430 VanDerWaalsContact O-CZ3 3.23Å; F364-W430 WeakPolarHBondContact O-CZ3 3.26Å; Q366-W430 HydrophobicContact CB-CH2 4.22Å; Q366-W430 HydrophobicContact CB-CZ2 3.65Å; V381-W430 WeakPolarHBondContact CB-O 3.41Å; V381-W430 HydrophobicContact CG1-CD2 4.19Å; V381-W430 HydrophobicContact CG1-CE3 4.03Å; V381-W430 HydrophobicContact CG1-CH2 3.93Å; V381-W430 HydrophobicContact CG1-CZ2 4.09Å; V381-W430 HydrophobicContact CG1-CZ3 3.89Å; V381-W430 HydrophobicContact CG2-CD2 4Å; V381-W430 VanDerWaalsContact CG2-CE2 3.49Å; V381-W430 HydrophobicContact CG2-CG 4.34Å; V381-W430 HydrophobicContact CG2-CH2 4.46Å; V381-W430 HydrophobicContact CG2-CZ2 3.78Å; V381-W430 VanDerWaalsContact CG2-O 3.3Å; V381-W430 WeakPolarHBondContact CG2-O 3.41Å; R423-W430 HydrophobicContact CB-CZ2 4.43Å; W430-Y434 VanDerWaalsContact C-CD2 3.42Å; W430-Y434 VanDerWaalsContact O-CD2 3.25Å; W430-Y434 WeakPolarHBondContact O-CD2 3.09Å; W430-R436 CarbonylContact C-O 3.59Å; W430-R436 WeakPolarHBondContact CA-O 3.5Å; W430-R436 HydrophobicContact CB-CB 3.91Å; W430-R436 WeakPolarHBondContact CB-O 3.29Å; W430-V439 HydrophobicContact CD2-CB 4.17Å; W430-V439 HydrophobicContact CD2-CG2 4.14Å; W430-V439 HydrophobicContact CE3-CG2 4.3Å; W430-V439 HydrophobicContact CG-CB 4.4Å; W430-V439 HydrophobicContact CH2-CG2 4.14Å; W430-V439 HydrophobicContact CZ2-CB 4.22Å; W430-V439 HydrophobicContact CZ2-CG2 3.96Å; W430-V439 HydrophobicContact CZ3-CG2 4.3Å; W430-T442 HydrophobicContact CB-CG2 3.81Å; W430-T442 HydrophobicContact CD2-CG2 4.31Å; W430-T442 HydrophobicContact CE3-CG2 4Å; W430-T442 HydrophobicContact CG-CG2 4.27Å
431G93.6Very high95.4Very high1 Ų148 Ų481%0.0124%0.239CC..SBendtrans128-178.7-173.100000113.1M167 N170 E433 Y434 R436 Q437M167-G431 VanDerWaalsContact CE-CA 3.46Å; N170-G431 WeakPolarHBondContact OD1-CA 3.48Å; G431-E433 PolarHBondContact O-N 3.4Å; G431-Y434 PolarHBondContact O-N 3.47Å; G431-R436 PolarHBondContact N-O 3.22Å; G431-Q437 PolarHBondContact O-NE2 3.16Å; G431-Q437 VanDerWaalsContact O-NE2 3.13Å
432A85.3Confident95.4Very high37 Ų3746.8 Ų46.831%0.30623%0.232SC..THydrogen-bonded Turntrans-57.1-29.4-171.900000114.1M167 P168M167-A432 HydrophobicContact CB-CB 3.9Å; M167-A432 HydrophobicContact CG-CB 3.92Å; M167-A432 HydrophobicContact SD-CB 4.33Å; M167-A432 PolarHBondContact SD-N 3.28Å; P168-A432 WeakPolarHBondContact O-CB 3.16Å
433E83.4Confident95.4Very high112 Ų11246.9 Ų46.952%0.52323%0.232SC..THydrogen-bonded Turntrans-97.52.2-177.6-50.8-178144.600113.9L169 N170 G431L169-E433 HydrophobicContact CD2-CG 4.3Å; N170-E433 HydrophobicContact CB-CG 4.36Å; N170-E433 WeakPolarHBondContact ND2-CB 3.37Å; N170-E433 PolarHBondContact ND2-N 3.09Å; G431-E433 PolarHBondContact O-N 3.4Å
434Y90.9Very high95.4Very high61 Ų6142.5 Ų42.524%0.23922%0.216CC..SBendtrans-113.5150.5-179.8-63.8-67.9000110.8N170 F364 W430 G431 R436 Q437N170-Y434 HydrophobicContact CB-CE2 4.38Å; N170-Y434 WeakPolarHBondContact ND2-CD2 3.16Å; N170-Y434 WeakPolarHBondContact ND2-CE2 3.39Å; F364-Y434 HydrophobicContact CD1-CE2 4.22Å; F364-Y434 HydrophobicContact CE1-CE1 4.31Å; F364-Y434 HydrophobicContact CE1-CE2 4.17Å; F364-Y434 AromaticContact CE1-CZ 3.66Å; F364-Y434 VanDerWaalsContact CE1-OH 3.29Å; F364-Y434 WeakPolarHBondContact CE1-OH 3.48Å; W430-Y434 VanDerWaalsContact C-CD2 3.42Å; W430-Y434 VanDerWaalsContact O-CD2 3.25Å; W430-Y434 WeakPolarHBondContact O-CD2 3.09Å; G431-Y434 PolarHBondContact O-N 3.47Å; Y434-R436 PolarHBondContact O-N 3.4Å; Y434-Q437 PolarHBondContact O-NE2 2.91Å
435H92Very high95.4Very high175 Ų17542.9 Ų42.981%0.8122%0.217SC*.SBendtrans-57.2-26.2172.4-177.566.2000113
436R95.1Very high95.4Very high69 Ų6942.9 Ų42.926%0.2622%0.217SC..  trans-89.8120176-69.1164.1-176.268.57.2109.1W430 G431 Y434 S441W430-R436 CarbonylContact C-O 3.59Å; W430-R436 WeakPolarHBondContact CA-O 3.5Å; W430-R436 HydrophobicContact CB-CB 3.91Å; W430-R436 WeakPolarHBondContact CB-O 3.29Å; G431-R436 PolarHBondContact N-O 3.22Å; Y434-R436 PolarHBondContact O-N 3.4Å; R436-S441 VanDerWaalsContact CD-O 3.23Å; R436-S441 WeakPolarHBondContact CD-O 3.46Å; R436-S441 PolarHBondContact NE-O 3.29Å; R436-S441 VanDerWaalsContact NE-O 3.1Å
437Q93.8Very high95.4Very high86 Ų8643.8 Ų43.840%0.40222%0.222SC..  trans-91.7-30.8177.6-58.5-65-68.200111.2M167 G431 Y434M167-Q437 WeakPolarHBondContact CE-O 3.49Å; M167-Q437 HydrophobicContact SD-CB 4.37Å; M167-Q437 PolarHBondContact SD-OE1 3.26Å; G431-Q437 PolarHBondContact O-NE2 3.16Å; G431-Q437 VanDerWaalsContact O-NE2 3.13Å; Y434-Q437 PolarHBondContact O-NE2 2.91Å
438D95.1Very high95.4Very high102 Ų10242.5 Ų42.555%0.54521%0.213SC..SBendtrans-109.2146.1178.2-65.5-70.2000112.9T440 S441D438-T440 WeakPolarHBondContact CB-OG1 3.4Å; D438-T440 PolarHBondContact O-N 3.04Å; D438-S441 VanDerWaalsContact O-CB 3.27Å; D438-S441 WeakPolarHBondContact O-CB 3.21Å; D438-S441 PolarHBondContact O-N 2.79Å
439V97.4Very high95.5Very high9 Ų940.6 Ų40.66%0.05521%0.206CC..G310 helixtrans-58.7-31.9174.972.80000111.7W430 S441 T442 W445W430-V439 HydrophobicContact CD2-CB 4.17Å; W430-V439 HydrophobicContact CD2-CG2 4.14Å; W430-V439 HydrophobicContact CE3-CG2 4.3Å; W430-V439 HydrophobicContact CG-CB 4.4Å; W430-V439 HydrophobicContact CH2-CG2 4.14Å; W430-V439 HydrophobicContact CZ2-CB 4.22Å; W430-V439 HydrophobicContact CZ2-CG2 3.96Å; W430-V439 HydrophobicContact CZ3-CG2 4.3Å; V439-S441 PolarHBondContact O-N 3.41Å; V439-T442 VanDerWaalsContact O-CB 3.29Å; V439-T442 WeakPolarHBondContact O-CB 3.34Å; V439-T442 WeakPolarHBondContact O-CG2 3.35Å; V439-T442 PolarHBondContact O-N 2.95Å; V439-T442 PolarHBondContact O-OG1 3.5Å; V439-W445 HydrophobicContact CG1-CD2 4.32Å; V439-W445 HydrophobicContact CG1-CE3 4.26Å; V439-W445 HydrophobicContact CG1-CH2 4.04Å; V439-W445 HydrophobicContact CG1-CZ2 4.07Å; V439-W445 HydrophobicContact CG1-CZ3 4.11Å; V439-W445 HydrophobicContact CG2-CB 4.09Å; V439-W445 HydrophobicContact CG2-CD2 3.56Å; V439-W445 HydrophobicContact CG2-CE3 3.64Å; V439-W445 HydrophobicContact CG2-CG 3.77Å; V439-W445 HydrophobicContact CG2-CZ3 4.3Å
440T97.8Very high95.6Very high59 Ų5940.5 Ų40.536%0.36220%0.204SC..G310 helixtrans-68.3-11.817755.70000113.1L289 N290 D438 T442 W445L289-T440 CarbonylContact C-O 3.47Å; L289-T440 WeakPolarHBondContact CA-O 3.25Å; L289-T440 WeakPolarHBondContact CB-O 3.41Å; N290-T440 HydrophobicContact CB-CG2 4.34Å; D438-T440 WeakPolarHBondContact CB-OG1 3.4Å; D438-T440 PolarHBondContact O-N 3.04Å; T440-T442 VanDerWaalsContact C-N 3.34Å; T440-W445 HydrophobicContact CG2-CZ2 4.19Å
441S97.9Very high95.5Very high52 Ų5242.4 Ų42.436%0.36421%0.213SC..G310 helixtrans-88.3-5.4170.1-58.60000112.6R436 D438 V439R436-S441 VanDerWaalsContact CD-O 3.23Å; R436-S441 WeakPolarHBondContact CD-O 3.46Å; R436-S441 PolarHBondContact NE-O 3.29Å; R436-S441 VanDerWaalsContact NE-O 3.1Å; D438-S441 VanDerWaalsContact O-CB 3.27Å; D438-S441 WeakPolarHBondContact O-CB 3.21Å; D438-S441 PolarHBondContact O-N 2.79Å; V439-S441 PolarHBondContact O-N 3.41Å
442T98.3Very high95.6Very high0 Ų042.4 Ų42.40%021%0.213CC..SBendtrans-83.9139.9175.775.10000110.7L289 S425 W430 V439 T440 C444 W445L289-T442 WeakPolarHBondContact CA-O 3.49Å; L289-T442 PolarHBondContact N-O 3.26Å; S425-T442 WeakPolarHBondContact OG-CB 3.44Å; S425-T442 WeakPolarHBondContact OG-CG2 3.41Å; S425-T442 PolarHBondContact OG-OG1 3.33Å; W430-T442 HydrophobicContact CB-CG2 3.81Å; W430-T442 HydrophobicContact CD2-CG2 4.31Å; W430-T442 HydrophobicContact CE3-CG2 4Å; W430-T442 HydrophobicContact CG-CG2 4.27Å; V439-T442 VanDerWaalsContact O-CB 3.29Å; V439-T442 WeakPolarHBondContact O-CB 3.34Å; V439-T442 WeakPolarHBondContact O-CG2 3.35Å; V439-T442 PolarHBondContact O-N 2.95Å; V439-T442 PolarHBondContact O-OG1 3.5Å; T440-T442 VanDerWaalsContact C-N 3.34Å; T442-C444 VanDerWaalsContact C-N 3.33Å; T442-C444 PolarHBondContact O-N 3.41Å; T442-W445 VanDerWaalsContact OG1-CD1 3.24Å
443P98.4Very high96.1Very high3 Ų340.9 Ų40.92%0.01920%0.2CC..SBendtrans-68-32-172.5-20.132.9000113.8E288 T332 I333 T336 K428E288-P443 VanDerWaalsContact CA-O 3.3Å; E288-P443 WeakPolarHBondContact CA-O 3.18Å; T332-P443 HydrophobicContact CG2-CB 4.44Å; T332-P443 HydrophobicContact CG2-CG 3.87Å; I333-P443 HydrophobicContact CB-CB 4.4Å; I333-P443 HydrophobicContact CG1-CB 3.87Å; T336-P443 HydrophobicContact CG2-CB 4.08Å; T336-P443 HydrophobicContact CG2-CG 4.41Å; K428-P443 HydrophobicContact CG-CG 4.07Å
444C98.8Very high96.7Very high0 Ų037.9 Ų37.90%019%0.187CC..SBendtrans-144.6118.8-176.2-60.10000109.3Y286 T336 R337 I340 S425 F426 T442Y286-C444 HydrophobicContact CE2-CB 4.04Å; Y286-C444 PolarHBondContact OH-SG 3.28Å; Y286-C444 VanDerWaalsContact OH-SG 3.36Å; T336-C444 HydrophobicContact CG2-CB 3.92Å; R337-C444 VanDerWaalsContact CG-SG 3.51Å; I340-C444 HydrophobicContact CD1-CB 4.24Å; S425-C444 PolarHBondContact OG-O 3.13Å; S425-C444 VanDerWaalsContact OG-O 3.09Å; F426-C444 HydrophobicContact CB-CB 4.49Å; F426-C444 HydrophobicContact CD2-CB 4.34Å; F426-C444 PolarHBondContact N-O 2.99Å; T442-C444 VanDerWaalsContact C-N 3.33Å; T442-C444 PolarHBondContact O-N 3.41Å
445W98.8Very high96.9Very high9 Ų938.1 Ų38.13%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-150.4163176.964.3-78.6000111.4Y286 Y287 L289 R423 M424 V439 T440 T442 E447Y286-W445 VanDerWaalsContact CD2-O 3.26Å; Y286-W445 WeakPolarHBondContact CD2-O 3.18Å; Y287-W445 VanDerWaalsContact CB-NE1 3.3Å; Y287-W445 HydrophobicContact CD1-CH2 4.28Å; Y287-W445 AromaticContact CD1-CZ2 3.83Å; Y287-W445 HydrophobicContact CD1-CZ2 3.83Å; Y287-W445 HydrophobicContact CD2-CD2 4.33Å; Y287-W445 HydrophobicContact CD2-CE3 4.24Å; Y287-W445 AromaticContact CD2-CH2 3.7Å; Y287-W445 HydrophobicContact CD2-CH2 3.7Å; Y287-W445 AromaticContact CD2-CZ2 3.8Å; Y287-W445 HydrophobicContact CD2-CZ2 3.8Å; Y287-W445 AromaticContact CD2-CZ3 3.95Å; Y287-W445 HydrophobicContact CD2-CZ3 3.95Å; Y287-W445 HydrophobicContact CE1-CZ2 4.48Å; Y287-W445 HydrophobicContact CE2-CH2 4.01Å; Y287-W445 HydrophobicContact CE2-CZ2 4.44Å; Y287-W445 HydrophobicContact CE2-CZ3 4.33Å; Y287-W445 HydrophobicContact CG-CD2 4.33Å; Y287-W445 AromaticContact CG-CE2 3.73Å; Y287-W445 AromaticContact CG-CH2 3.87Å; Y287-W445 HydrophobicContact CG-CH2 3.87Å; Y287-W445 AromaticContact CG-CZ2 3.47Å; Y287-W445 HydrophobicContact CG-CZ2 3.47Å; Y287-W445 VanDerWaalsContact CG-CZ2 3.47Å; Y287-W445 HydrophobicContact CG-CZ3 4.46Å; Y287-W445 PolarHBondContact N-O 3.23Å; Y287-W445 PolarHBondContact O-N 3.32Å; L289-W445 PolarHBondContact O-NE1 2.97Å; R423-W445 HydrophobicContact CG-CZ3 4.18Å; M424-W445 CarbonylContact O-C 3.59Å; M424-W445 WeakPolarHBondContact O-CA 3.23Å; M424-W445 VanDerWaalsContact O-CB 3.23Å; M424-W445 WeakPolarHBondContact O-CB 3.4Å; V439-W445 HydrophobicContact CG1-CD2 4.32Å; V439-W445 HydrophobicContact CG1-CE3 4.26Å; V439-W445 HydrophobicContact CG1-CH2 4.04Å; V439-W445 HydrophobicContact CG1-CZ2 4.07Å; V439-W445 HydrophobicContact CG1-CZ3 4.11Å; V439-W445 HydrophobicContact CG2-CB 4.09Å; V439-W445 HydrophobicContact CG2-CD2 3.56Å; V439-W445 HydrophobicContact CG2-CE3 3.64Å; V439-W445 HydrophobicContact CG2-CG 3.77Å; V439-W445 HydrophobicContact CG2-CZ3 4.3Å; T440-W445 HydrophobicContact CG2-CZ2 4.19Å; T442-W445 VanDerWaalsContact OG1-CD1 3.24Å; W445-E447 HydrophobicContact CZ3-CB 3.93Å
446I98.9Very high97Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-125.1151.8175.661.1174.2000110.9I284 V285 Y286 V306 M424 F426 V448I284-I446 HydrophobicContact CG2-CB 3.9Å; I284-I446 HydrophobicContact CG2-CD1 3.78Å; I284-I446 HydrophobicContact CG2-CG1 4.36Å; I284-I446 HydrophobicContact CG2-CG2 4.1Å; V285-I446 CarbonylContact O-C 3.56Å; V285-I446 WeakPolarHBondContact O-CA 3.44Å; Y286-I446 HydrophobicContact CD2-CG2 3.88Å; V306-I446 HydrophobicContact CG1-CD1 4.31Å; V306-I446 HydrophobicContact CG2-CD1 4.35Å; M424-I446 HydrophobicContact CB-CG1 4.03Å; M424-I446 HydrophobicContact CE-CD1 3.49Å; M424-I446 VanDerWaalsContact CE-CD1 3.49Å; M424-I446 HydrophobicContact CE-CG1 3.97Å; M424-I446 PolarHBondContact N-O 3.49Å; M424-I446 PolarHBondContact O-N 3.31Å; F426-I446 HydrophobicContact CE2-CG1 4.39Å; F426-I446 HydrophobicContact CE2-CG2 3.93Å; F426-I446 HydrophobicContact CZ-CD1 4.28Å; F426-I446 HydrophobicContact CZ-CG1 4.5Å; F426-I446 HydrophobicContact CZ-CG2 4.44Å; I446-V448 HydrophobicContact CD1-CG2 4.15Å; I446-V448 HydrophobicContact CG1-CG2 4.45Å
447E98.8Very high97Very high21 Ų2126.9 Ų26.910%0.09814%0.141CC..EExtended strand (participates in β ladder)trans-114.4125.6169.4-164.1165.367.500109I284 V285 Y287 T421 R423 W445 H449I284-E447 WeakPolarHBondContact CA-O 3.22Å; V285-E447 PolarHBondContact N-O 3.03Å; V285-E447 PolarHBondContact O-N 2.72Å; Y287-E447 HydrophobicContact CE2-CB 4.08Å; T421-E447 HydrophobicContact CG2-CG 3.38Å; R423-E447 HydrophobicContact CG-CG 4.21Å; R423-E447 IonicContact CZ-OE2 2.66Å; R423-E447 IonicContact NE-OE2 2.76Å; R423-E447 PolarHBondContact NE-OE2 2.99Å; R423-E447 IonicContact NH2-OE2 2.66Å; R423-E447 PolarHBondContact NH2-OE2 3.49Å; R423-E447 VanDerWaalsContact NH2-OE2 3.12Å; W445-E447 HydrophobicContact CZ3-CB 3.93Å; E447-H449 IonicContact OE1-CE1 2.9Å; E447-H449 PolarHBondContact OE1-CE1 3.32Å; E447-H449 VanDerWaalsContact OE1-CE1 3.32Å; E447-H449 IonicContact OE1-NE2 3.03Å
448V98.7Very high96.9Very high2 Ų227.6 Ų27.61%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-110124-178.4-175.80000108.4C282 S283 I284 L346 T421 I422 I446 L450C282-V448 HydrophobicContact CB-CG1 3.98Å; S283-V448 WeakPolarHBondContact O-CA 3.45Å; I284-V448 HydrophobicContact CG1-CG1 4.47Å; I284-V448 HydrophobicContact CG1-CG2 4.33Å; I284-V448 HydrophobicContact CG2-CG2 4.39Å; L346-V448 HydrophobicContact CD1-CG2 4.05Å; T421-V448 WeakPolarHBondContact CA-O 3.37Å; I422-V448 HydrophobicContact CB-CB 4.36Å; I422-V448 PolarHBondContact N-O 3.44Å; I422-V448 PolarHBondContact O-N 3.48Å; I446-V448 HydrophobicContact CD1-CG2 4.15Å; I446-V448 HydrophobicContact CG1-CG2 4.45Å; V448-L450 HydrophobicContact CG1-CD2 4.18Å
449H98.3Very high96.8Very high44 Ų4425.3 Ų25.320%0.20413%0.133CC..EExtended strand (participates in β ladder)trans-107.4120177-6491.5000109.7C282 S283 T421 E447 H451 L454C282-H449 CarbonylContact C-O 3.6Å; C282-H449 WeakPolarHBondContact CA-O 3.48Å; C282-H449 WeakPolarHBondContact CB-O 3.31Å; S283-H449 PolarHBondContact N-O 3.44Å; S283-H449 PolarHBondContact O-N 3.1Å; T421-H449 PolarHBondContact OG1-CD2 2.66Å; E447-H449 IonicContact OE1-CE1 2.9Å; E447-H449 PolarHBondContact OE1-CE1 3.32Å; E447-H449 VanDerWaalsContact OE1-CE1 3.32Å; E447-H449 IonicContact OE1-NE2 3.03Å; H449-H451 PolarHBondContact O-CD2 2.89Å; H449-L454 HydrophobicContact CB-CD1 4.13Å
450L97.9Very high96.5Very high3 Ų324.9 Ų24.92%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-88.3111.1-179.2-58.1180000110.4W281 C282 V353 F393 C420 I422 V448 P453 L454W281-L450 HydrophobicContact CE3-CD2 4.07Å; W281-L450 HydrophobicContact CZ3-CD2 3.8Å; C282-L450 HydrophobicContact CB-CD2 4.07Å; V353-L450 HydrophobicContact CG2-CD1 4.43Å; V353-L450 HydrophobicContact CG2-CD2 4.11Å; F393-L450 HydrophobicContact CB-CD1 3.85Å; F393-L450 HydrophobicContact CD1-CD1 3.67Å; F393-L450 HydrophobicContact CD2-CD1 3.33Å; F393-L450 HydrophobicContact CE1-CD1 4Å; F393-L450 HydrophobicContact CE2-CD1 3.68Å; F393-L450 HydrophobicContact CG-CD1 3.32Å; F393-L450 HydrophobicContact CZ-CD1 3.99Å; C420-L450 PolarHBondContact O-N 3.03Å; I422-L450 HydrophobicContact CD1-CD1 4.1Å; V448-L450 HydrophobicContact CG1-CD2 4.18Å; L450-P453 HydrophobicContact CB-CB 4.47Å; L450-P453 HydrophobicContact CB-CG 3.93Å; L450-P453 HydrophobicContact CD1-CG 4.47Å; L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 WeakPolarHBondContact O-CD1 3.39Å; L450-L454 VanDerWaalsContact O-CG 3.22Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.83Å; L450-L454 VanDerWaalsContact O-N 3.17Å
451H96.9Very high96.2Very high45 Ų4523.2 Ų23.221%0.20812%0.119CC..Hα-helixtrans-72.8-36.4-169.7-67.2179.3000112.7P278 H280 W281 S283 H449 L454 Q455P278-H451 HydrophobicContact CB-CB 4.14Å; P278-H451 HydrophobicContact CG-CB 3.77Å; H280-H451 VanDerWaalsContact O-CB 3.26Å; H280-H451 WeakPolarHBondContact O-CB 3.43Å; H280-H451 PolarHBondContact O-ND1 3.5Å; H280-H451 VanDerWaalsContact O-ND1 3.12Å; W281-H451 PolarHBondContact O-N 3.37Å; S283-H451 WeakPolarHBondContact CB-NE2 3.42Å; S283-H451 PolarHBondContact N-NE2 2.94Å; S283-H451 PolarHBondContact OG-NE2 3.04Å; H449-H451 PolarHBondContact O-CD2 2.89Å; H451-L454 PolarHBondContact O-N 3.28Å; H451-Q455 VanDerWaalsContact O-CB 3.28Å; H451-Q455 WeakPolarHBondContact O-CB 3.15Å; H451-Q455 PolarHBondContact O-N 2.9Å
452G94.8Very high95.7Very high2 Ų225.6 Ų25.62%0.02113%0.132CC..Hα-helixtrans-61.2-57178.900000111.8L454 Q455 W456G452-L454 VanDerWaalsContact C-N 3.32Å; G452-L454 PolarHBondContact O-N 3.38Å; G452-Q455 PolarHBondContact O-N 3.05Å; G452-W456 PolarHBondContact O-N 3.45Å
453P95.8Very high95.2Very high5 Ų528.9 Ų28.93%0.03215%0.147CC..Hα-helixtrans-54.9-41.9173.2-29.937.5000114F393 F398 C420 L450 W456 L457F393-P453 HydrophobicContact CD1-CG 4.49Å; F393-P453 HydrophobicContact CE1-CB 4.34Å; F393-P453 HydrophobicContact CE1-CG 3.5Å; F393-P453 VanDerWaalsContact CE1-CG 3.5Å; F393-P453 HydrophobicContact CZ-CB 3.95Å; F393-P453 HydrophobicContact CZ-CG 3.58Å; F398-P453 HydrophobicContact CD1-CB 3.95Å; F398-P453 HydrophobicContact CE1-CB 3.7Å; F398-P453 HydrophobicContact CE2-CB 4.41Å; F398-P453 HydrophobicContact CG-CB 4.41Å; F398-P453 HydrophobicContact CZ-CB 3.95Å; C420-P453 HydrophobicContact CB-CB 4.28Å; C420-P453 VanDerWaalsContact SG-CB 3.58Å; L450-P453 HydrophobicContact CB-CB 4.47Å; L450-P453 HydrophobicContact CB-CG 3.93Å; L450-P453 HydrophobicContact CD1-CG 4.47Å; P453-W456 PolarHBondContact O-N 2.89Å; P453-L457 VanDerWaalsContact O-CB 3.31Å; P453-L457 WeakPolarHBondContact O-CB 3.46Å; P453-L457 PolarHBondContact O-N 3.4Å
454L96.4Very high94.5Very high48 Ų4830.1 Ų30.125%0.25115%0.153SC..Hα-helixtrans-63.2-45.8177-76.8168.6000112.5T417 C420 H449 L450 H451 G452 W456 L457 D458T417-L454 HydrophobicContact CG2-CD2 4.17Å; C420-L454 HydrophobicContact CB-CD1 4.45Å; C420-L454 HydrophobicContact CB-CD2 3.6Å; C420-L454 HydrophobicContact CB-CG 3.6Å; H449-L454 HydrophobicContact CB-CD1 4.13Å; L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 WeakPolarHBondContact O-CD1 3.39Å; L450-L454 VanDerWaalsContact O-CG 3.22Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.83Å; L450-L454 VanDerWaalsContact O-N 3.17Å; H451-L454 PolarHBondContact O-N 3.28Å; G452-L454 VanDerWaalsContact C-N 3.32Å; G452-L454 PolarHBondContact O-N 3.38Å; L454-W456 VanDerWaalsContact C-N 3.33Å; L454-W456 PolarHBondContact O-N 2.88Å; L454-L457 WeakPolarHBondContact O-CB 3.38Å; L454-L457 PolarHBondContact O-N 2.87Å; L454-D458 WeakPolarHBondContact O-CB 3.43Å; L454-D458 PolarHBondContact O-N 3.44Å
455Q94.8Very high93.5Very high66 Ų6632.1 Ų32.131%0.30817%0.173SC..Hα-helixtrans-64.8-39.8179.7-174-177.71500111.2H451 G452 D458 K459H451-Q455 VanDerWaalsContact O-CB 3.28Å; H451-Q455 WeakPolarHBondContact O-CB 3.15Å; H451-Q455 PolarHBondContact O-N 2.9Å; G452-Q455 PolarHBondContact O-N 3.05Å; Q455-D458 PolarHBondContact O-N 3.23Å; Q455-K459 WeakPolarHBondContact O-CG 3.47Å; Q455-K459 PolarHBondContact O-N 2.97Å; Q455-K459 VanDerWaalsContact O-N 3.1Å
456W94.1Very high92.3Very high4 Ų436.8 Ų36.82%0.01521%0.207CC..Hα-helixtrans-65-43176.5-161.13.8000111.5L136 P137 V139 V273 Y275 F398 A399 L402 G452 P453 L454 K459 V460L136-W456 HydrophobicContact CB-CH2 3.71Å; L136-W456 HydrophobicContact CB-CZ3 4.12Å; L136-W456 HydrophobicContact CD1-CH2 4.11Å; L136-W456 HydrophobicContact CD1-CZ3 3.61Å; L136-W456 HydrophobicContact CG-CZ3 4.46Å; P137-W456 VanDerWaalsContact O-CZ2 3.32Å; P137-W456 WeakPolarHBondContact O-CZ2 3.35Å; V139-W456 HydrophobicContact CG2-CH2 4.4Å; V139-W456 HydrophobicContact CG2-CZ2 3.62Å; V273-W456 PolarHBondContact O-NE1 3.27Å; Y275-W456 HydrophobicContact CD2-CB 4.02Å; Y275-W456 AromaticContact CD2-CD2 3.65Å; Y275-W456 HydrophobicContact CD2-CD2 3.65Å; Y275-W456 AromaticContact CD2-CE3 3.27Å; Y275-W456 HydrophobicContact CD2-CE3 3.27Å; Y275-W456 HydrophobicContact CD2-CG 4.02Å; Y275-W456 AromaticContact CD2-CZ3 3.85Å; Y275-W456 HydrophobicContact CD2-CZ3 3.85Å; Y275-W456 HydrophobicContact CE2-CE3 4.08Å; Y275-W456 HydrophobicContact CG-CD2 4.24Å; Y275-W456 AromaticContact CG-CE3 3.94Å; Y275-W456 HydrophobicContact CG-CE3 3.94Å; Y275-W456 HydrophobicContact CG-CZ3 4.13Å; F398-W456 HydrophobicContact CD1-CE3 4.49Å; A399-W456 HydrophobicContact CB-CH2 3.47Å; A399-W456 VanDerWaalsContact CB-CH2 3.47Å; A399-W456 HydrophobicContact CB-CZ3 3.49Å; A399-W456 VanDerWaalsContact CB-CZ3 3.49Å; L402-W456 HydrophobicContact CD2-CB 4.48Å; L402-W456 HydrophobicContact CD2-CD2 4Å; L402-W456 HydrophobicContact CD2-CE3 4.43Å; L402-W456 HydrophobicContact CD2-CG 3.98Å; G452-W456 PolarHBondContact O-N 3.45Å; P453-W456 PolarHBondContact O-N 2.89Å; L454-W456 VanDerWaalsContact C-N 3.33Å; L454-W456 PolarHBondContact O-N 2.88Å; W456-K459 PolarHBondContact O-N 3.34Å; W456-V460 WeakPolarHBondContact O-CG2 3.49Å; W456-V460 PolarHBondContact O-N 2.83Å; W456-V460 VanDerWaalsContact O-N 3.13Å
457L94.6Very high91.1Very high4 Ų440.3 Ų40.32%0.02123%0.23CC..Hα-helixtrans-60.9-45.1175.9-171.768.8000112.1L402 V413 L416 T417 P453 L454 K459 V460 L461L402-L457 HydrophobicContact CD1-CD1 3.59Å; V413-L457 HydrophobicContact CG1-CD1 3.46Å; V413-L457 VanDerWaalsContact CG1-CD1 3.46Å; V413-L457 WeakPolarHBondContact O-CD1 3.49Å; L416-L457 HydrophobicContact CB-CD1 3.95Å; L416-L457 HydrophobicContact CB-CD2 4.34Å; L416-L457 HydrophobicContact CD1-CD1 4.36Å; T417-L457 WeakPolarHBondContact OG1-CD2 3.46Å; P453-L457 VanDerWaalsContact O-CB 3.31Å; P453-L457 WeakPolarHBondContact O-CB 3.46Å; P453-L457 PolarHBondContact O-N 3.4Å; L454-L457 WeakPolarHBondContact O-CB 3.38Å; L454-L457 PolarHBondContact O-N 2.87Å; L457-K459 PolarHBondContact O-N 3.21Å; L457-V460 PolarHBondContact O-N 3.49Å; L457-L461 HydrophobicContact CD2-CD1 4.4Å; L457-L461 HydrophobicContact CG-CD1 3.94Å; L457-L461 HydrophobicContact CG-CG 4.43Å; L457-L461 WeakPolarHBondContact O-CB 3.4Å; L457-L461 WeakPolarHBondContact O-CG 3.47Å; L457-L461 PolarHBondContact O-N 3.31Å
458D92.9Very high89.8Confident101 Ų10146.7 Ų46.754%0.5426%0.264SS..Hα-helixtrans-59.2-45.2178.1-178.971000112L454 Q455 V460 L461 T462L454-D458 WeakPolarHBondContact O-CB 3.43Å; L454-D458 PolarHBondContact O-N 3.44Å; Q455-D458 PolarHBondContact O-N 3.23Å; D458-V460 VanDerWaalsContact C-N 3.35Å; D458-V460 PolarHBondContact O-N 2.76Å; D458-L461 PolarHBondContact O-N 2.92Å; D458-T462 WeakPolarHBondContact O-CB 3.34Å; D458-T462 PolarHBondContact O-N 3.37Å; D458-T462 PolarHBondContact O-OG1 3.04Å
459K92.1Very high88.6Confident55 Ų5553 Ų5324%0.23930%0.298CS..Hα-helixtrans-61.2-40.9175.2-71.4-178.2-179.5-178.70112.3V273 E276 Q455 W456 L457 Q463V273-K459 HydrophobicContact CG1-CB 3.51Å; V273-K459 HydrophobicContact CG1-CD 4.23Å; E276-K459 IonicContact OE1-NZ 3.81Å; E276-K459 PolarHBondContact OE1-NZ 3.43Å; E276-K459 IonicContact OE2-NZ 2.67Å; E276-K459 PolarHBondContact OE2-NZ 3.22Å; Q455-K459 WeakPolarHBondContact O-CG 3.47Å; Q455-K459 PolarHBondContact O-N 2.97Å; Q455-K459 VanDerWaalsContact O-N 3.1Å; W456-K459 PolarHBondContact O-N 3.34Å; L457-K459 PolarHBondContact O-N 3.21Å; K459-Q463 WeakPolarHBondContact O-CG 3.16Å; K459-Q463 PolarHBondContact O-N 3.34Å
460V91.9Very high87.5Confident0 Ų056.8 Ų56.80%033%0.326CS..Hα-helixtrans-66.8-49.9176.9170.70000111V139 V141 V273 L402 V406 V413 W456 L457 D458 T462 Q463 M464V139-V460 HydrophobicContact CB-CG2 4.06Å; V139-V460 HydrophobicContact CG1-CG1 4.46Å; V139-V460 HydrophobicContact CG1-CG2 3.79Å; V141-V460 HydrophobicContact CG2-CG1 3.95Å; V141-V460 HydrophobicContact CG2-CG2 4.41Å; V273-V460 HydrophobicContact CB-CG2 4.05Å; V273-V460 HydrophobicContact CG1-CG2 4.01Å; V273-V460 HydrophobicContact CG2-CG2 4.17Å; L402-V460 HydrophobicContact CD1-CB 4.41Å; L402-V460 HydrophobicContact CD1-CG1 4.2Å; L402-V460 HydrophobicContact CD1-CG2 4.39Å; L402-V460 HydrophobicContact CD2-CG2 4.12Å; L402-V460 HydrophobicContact CG-CG2 4.39Å; V406-V460 HydrophobicContact CG2-CG1 3.59Å; V413-V460 HydrophobicContact CG1-CG1 4.05Å; W456-V460 WeakPolarHBondContact O-CG2 3.49Å; W456-V460 PolarHBondContact O-N 2.83Å; W456-V460 VanDerWaalsContact O-N 3.13Å; L457-V460 PolarHBondContact O-N 3.49Å; D458-V460 VanDerWaalsContact C-N 3.35Å; D458-V460 PolarHBondContact O-N 2.76Å; V460-T462 VanDerWaalsContact C-N 3.29Å; V460-T462 PolarHBondContact O-N 2.9Å; V460-Q463 PolarHBondContact O-N 2.77Å; V460-M464 HydrophobicContact CG1-CG 4.43Å; V460-M464 HydrophobicContact CG1-SD 4.01Å; V460-M464 WeakPolarHBondContact O-CG 3.11Å; V460-M464 PolarHBondContact O-N 3.49Å
461L90.8Very high86.6Confident23 Ų2364.3 Ų64.312%0.1237%0.365CS..Hα-helixtrans-59.2-40.1179.6-75.4169.9000112F410 V413 Y414 L457 D458 Q463 M464F410-L461 HydrophobicContact CD2-CD2 3.96Å; F410-L461 HydrophobicContact CE1-CD2 4.43Å; F410-L461 HydrophobicContact CE2-CB 4.45Å; F410-L461 HydrophobicContact CE2-CD2 3.71Å; F410-L461 HydrophobicContact CG-CD2 4.43Å; F410-L461 HydrophobicContact CZ-CD2 3.97Å; V413-L461 HydrophobicContact CB-CD2 3.92Å; V413-L461 HydrophobicContact CG1-CD2 3.57Å; V413-L461 HydrophobicContact CG1-CG 3.82Å; Y414-L461 HydrophobicContact CD2-CD1 4.21Å; L457-L461 HydrophobicContact CD2-CD1 4.4Å; L457-L461 HydrophobicContact CG-CD1 3.94Å; L457-L461 HydrophobicContact CG-CG 4.43Å; L457-L461 WeakPolarHBondContact O-CB 3.4Å; L457-L461 WeakPolarHBondContact O-CG 3.47Å; L457-L461 PolarHBondContact O-N 3.31Å; D458-L461 PolarHBondContact O-N 2.92Å; L461-Q463 PolarHBondContact O-N 3.1Å; L461-M464 PolarHBondContact O-N 3.24Å; L461-M464 VanDerWaalsContact O-N 3.1Å
462T88.5Confident85.8Confident102 Ų10265.2 Ų65.263%0.62638%0.377SS*.Hα-helixtrans-58.5-32.6176.5-60.30000112.1D458 V460D458-T462 WeakPolarHBondContact O-CB 3.34Å; D458-T462 PolarHBondContact O-N 3.37Å; D458-T462 PolarHBondContact O-OG1 3.04Å; V460-T462 VanDerWaalsContact C-N 3.29Å; V460-T462 PolarHBondContact O-N 2.9Å
463Q86.8Confident85.3Confident70 Ų7071.1 Ų71.133%0.32742%0.417SS..Hα-helixtrans-84.7-19.4178.6-66.5-175.81200113.8V141 V273 K459 V460 L461V141-Q463 HydrophobicContact CB-CB 4.34Å; V141-Q463 HydrophobicContact CG1-CB 4Å; V141-Q463 HydrophobicContact CG2-CB 4.44Å; V273-Q463 VanDerWaalsContact CG2-CD 3.45Å; K459-Q463 WeakPolarHBondContact O-CG 3.16Å; K459-Q463 PolarHBondContact O-N 3.34Å; V460-Q463 PolarHBondContact O-N 2.77Å; L461-Q463 PolarHBondContact O-N 3.1Å
464M83.2Confident84.4Confident29 Ų2977 Ų7714%0.14345%0.453CS..Hα-helixtrans-82.7-10.6-178.1-69.7-175.878.800114.5V141 F147 V406 F410 V413 V460 L461V141-M464 HydrophobicContact CG1-CG 3.72Å; F147-M464 HydrophobicContact CE1-CE 4.24Å; F147-M464 HydrophobicContact CZ-CE 3.79Å; V406-M464 HydrophobicContact CG1-CE 4.43Å; V406-M464 HydrophobicContact CG2-SD 4.36Å; V406-M464 WeakPolarHBondContact O-CE 3.45Å; F410-M464 HydrophobicContact CD2-CB 4.28Å; V413-M464 HydrophobicContact CB-SD 4.05Å; V413-M464 HydrophobicContact CG1-SD 4.26Å; V413-M464 HydrophobicContact CG2-CE 4.02Å; V413-M464 HydrophobicContact CG2-SD 3.61Å; V460-M464 HydrophobicContact CG1-CG 4.43Å; V460-M464 HydrophobicContact CG1-SD 4.01Å; V460-M464 WeakPolarHBondContact O-CG 3.11Å; V460-M464 PolarHBondContact O-N 3.49Å; L461-M464 PolarHBondContact O-N 3.24Å; L461-M464 VanDerWaalsContact O-N 3.1Å
465G77.6Confident82.9Confident41 Ų4182 Ų8242%0.42349%0.492SS..  trans77.5-161.5-177.700000113.7F410F410-G465 WeakPolarHBondContact CD2-O 3.33Å; F410-G465 WeakPolarHBondContact CE2-O 3.36Å
466S74.6Confident82.3Confident107 Ų10782.8 Ų82.875%0.74850%0.501SS*.SBendtrans-89.5156-174.9-590000113
467P74.8Confident81.7Confident74 Ų7486.9 Ų86.948%0.48153%0.527SS..  trans-54.3144.3169.5-20.829.3000112.3F410 N469F410-P467 HydrophobicContact CD1-CB 4.41Å; F410-P467 HydrophobicContact CD1-CG 3.74Å; F410-P467 HydrophobicContact CE1-CG 3.66Å; F410-P467 HydrophobicContact CG-CG 4.43Å; F410-P467 HydrophobicContact CZ-CG 4.28Å; P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 PolarHBondContact O-N 2.93Å
468L69.6Low80.9Confident155 Ų15591.6 Ų91.681%0.81256%0.555SS**SBendtrans-66.4-27.7178.9-69.7169.9000113.2P470L468-P470 VanDerWaalsContact O-CD 3.31Å; L468-P470 WeakPolarHBondContact O-CD 3.31Å
469N74.1Confident80.2Confident135 Ų13591 Ų9172%0.72256%0.556SS**SBendtrans-91.1111-178.5-70.1-24.8000110.2P467 I471P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 PolarHBondContact O-N 2.93Å; N469-I471 PolarHBondContact O-N 3.45Å
470P74.8Confident79.5Confident123 Ų12393.3 Ų93.380%0.79958%0.575SS**PPolyproline II helixtrans-65.9133.9174.627.8-33000109.8L468L468-P470 VanDerWaalsContact O-CD 3.31Å; L468-P470 WeakPolarHBondContact O-CD 3.31Å
471I79.9Confident78.7Confident161 Ų16199.5 Ų99.583%0.82661%0.614SS**PPolyproline II helixtrans-83.2134.6172.1-74172000108.6N469N469-I471 PolarHBondContact O-N 3.45Å
472S80.3Confident77.8Confident65 Ų65104.9 Ų104.946%0.45565%0.649SS.*PPolyproline II helixtrans-70.4137.8173.3173.80000110.2V474 S475S472-V474 PolarHBondContact O-N 3.34Å; S472-V474 PolarHBondContact OG-N 3.39Å; S472-V474 VanDerWaalsContact OG-N 3.13Å; S472-S475 WeakPolarHBondContact CB-OG 3.46Å; S472-S475 PolarHBondContact O-OG 3.13Å; S472-S475 PolarHBondContact OG-N 3.36Å
473S83.8Confident77Confident125 Ų125105.2 Ų105.287%0.87465%0.651SS**SBendtrans-79.40.2172.8550000113.6
474V76.9Confident76.2Confident129 Ų129108.1 Ų108.178%0.78268%0.678SS**  trans-123.4-12.5-170.9-168.40000112.8S472S472-V474 PolarHBondContact O-N 3.34Å; S472-V474 PolarHBondContact OG-N 3.39Å; S472-V474 VanDerWaalsContact OG-N 3.13Å
475S64.8Low75.6Confident153 Ų153115.3 Ų115.3100%1.0773%0.726SS**  trans-770-176.253.90000113.9S472S472-S475 WeakPolarHBondContact CB-OG 3.46Å; S472-S475 PolarHBondContact O-OG 3.13Å; S472-S475 PolarHBondContact OG-N 3.36Å

Retrieved 475 of 475 residues in 670.3 ms (Link to these results)

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