A0A087XUX9_POEFO Loading...

Kelch like family member 23

AlphaFold DB , UniProt , Accession A0A087XUX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 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
1M47.3Very low69.2Low231 Ų231164.4 Ų164.4100%1.13880%0.804SS**  0108.90-70.1171.7-170.700107.4
2S44.5Very low71.3Confident110 Ų110162.9 Ų162.977%0.76979%0.791SS**  trans-115.894.6172170.60000106K4S2-K4 PolarHBondContact O-N 3.31Å
3H53.4Low73Confident172 Ų172158.9 Ų158.980%0.79679%0.787SS**  trans-73.399169.5-79.8-67.7000107.2N5H3-N5 PolarHBondContact O-N 3.17Å; H3-N5 VanDerWaalsContact O-N 3.17Å
4K56.8Low74.6Confident188 Ų188152.6 Ų152.682%0.81776%0.758SS**  trans-67.8106.8160.9-80.7-176.7173.8-178.10106.7S2 E6S2-K4 PolarHBondContact O-N 3.31Å; K4-E6 PolarHBondContact O-N 3.07Å; K4-E6 VanDerWaalsContact O-N 3.07Å
5N60.3Low75.9Confident148 Ų148146.7 Ų146.779%0.79175%0.752SS**  trans-61104.4162.2-88.7-8.6000107.2H3 I7H3-N5 PolarHBondContact O-N 3.17Å; H3-N5 VanDerWaalsContact O-N 3.17Å; N5-I7 PolarHBondContact O-N 3.19Å
6E67.9Low77.1Confident189 Ų189145.9 Ų145.988%0.88374%0.744SS**PPolyproline II helixtrans-67.9118.8167.3-75-178.7165.200108.1K4K4-E6 PolarHBondContact O-N 3.07Å; K4-E6 VanDerWaalsContact O-N 3.07Å
7I78.1Confident78.2Confident149 Ų149143.4 Ų143.476%0.76473%0.728SS**PPolyproline II helixtrans-73.5129.6179.1-61.6169.4000107.3N5 T9N5-I7 PolarHBondContact O-N 3.19Å; I7-T9 PolarHBondContact O-N 3.29Å
8Y83.8Confident79Confident206 Ų206140 Ų14081%0.80872%0.717SS**PPolyproline II helixtrans-66119.2174.8177.3-96.1000110.3
9T88.1Confident79.8Confident107 Ų107137.2 Ų137.266%0.65671%0.708SS**  trans-115.4141.9175.152.90000110.4I7I7-T9 PolarHBondContact O-N 3.29Å
10Y91.3Very high80.6Confident161 Ų161135.9 Ų135.963%0.63170%0.698SS**  trans-127.4114.3173171.8-110.6000109.2F12Y10-F12 HydrophobicContact CD1-CB 4.33Å; Y10-F12 HydrophobicContact CE1-CB 3.76Å; Y10-F12 HydrophobicContact CE1-CD2 4.16Å; Y10-F12 HydrophobicContact CE1-CG 4.45Å; Y10-F12 PolarHBondContact O-N 3.43Å
11D89.3Confident81.3Confident147 Ų147133.4 Ų133.479%0.78669%0.686SS**  trans-88.3101.1176.1-63.6-37.9000108.9
12F94.4Very high83.5Confident147 Ų147124.7 Ų124.765%0.64564%0.644SS**  trans-72.6130.3175175.1-106.4000110.5Y10 D14Y10-F12 HydrophobicContact CD1-CB 4.33Å; Y10-F12 HydrophobicContact CE1-CB 3.76Å; Y10-F12 HydrophobicContact CE1-CD2 4.16Å; Y10-F12 HydrophobicContact CE1-CG 4.45Å; Y10-F12 PolarHBondContact O-N 3.43Å; F12-D14 HydrophobicContact CE1-CB 3.75Å; F12-D14 HydrophobicContact CZ-CB 3.82Å
13C93.7Very high86Confident111 Ų111125.5 Ų125.575%0.7564%0.635SS**  trans-127.4116.5174.5-173.30000109
14D94.9Very high88Confident71 Ų71119.3 Ų119.338%0.3861%0.614SS.*  trans-90.5108.8174.3-174.4-12.8000109.8F12 E16 H17F12-D14 HydrophobicContact CE1-CB 3.75Å; F12-D14 HydrophobicContact CZ-CB 3.82Å; D14-E16 PolarHBondContact OD1-N 3.45Å; D14-H17 HydrophobicContact CB-CB 4.05Å; D14-H17 PolarHBondContact OD1-N 3.19Å
15G94.4Very high89.9Confident64 Ų64112.1 Ų112.166%0.6658%0.584SS**SBendtrans-78.2-18.518000000114.4
16E95.4Very high91.5Very high133 Ų133110.9 Ų110.962%0.62157%0.568SS**SBendtrans-87.5-26.7-178.6-63.8-174.1162.700111.4D14 P18 T19 E20D14-E16 PolarHBondContact OD1-N 3.45Å; E16-P18 VanDerWaalsContact C-CD 3.48Å; E16-T19 WeakPolarHBondContact O-CB 3.5Å; E16-T19 PolarHBondContact O-N 2.94Å; E16-E20 PolarHBondContact O-N 2.98Å
17H95.9Very high92.9Very high103 Ų103106.1 Ų106.148%0.47755%0.546SS..Hα-helixtrans-46-47.1-178.3-177.471.4000115.3D14 T19 L21D14-H17 HydrophobicContact CB-CB 4.05Å; D14-H17 PolarHBondContact OD1-N 3.19Å; H17-T19 VanDerWaalsContact C-N 3.33Å; H17-T19 PolarHBondContact O-N 2.95Å; H17-L21 WeakPolarHBondContact O-CB 3.39Å; H17-L21 PolarHBondContact O-N 3.4Å
18P93.3Very high93.8Very high83 Ų83101.9 Ų101.954%0.53952%0.522SS..Hα-helixtrans-63.4-37.2179.6-22.135000113.4E16 L22E16-P18 VanDerWaalsContact C-CD 3.48Å; P18-L22 WeakPolarHBondContact O-CB 3.18Å; P18-L22 PolarHBondContact O-N 2.95Å; P18-L22 VanDerWaalsContact O-N 3.12Å
19T93.4Very high94.3Very high87 Ų8793.5 Ų93.553%0.53449%0.489SS..Hα-helixtrans-70.4-50.2179.9-55.50000110.2E16 H17 L21 L22 E23E16-T19 WeakPolarHBondContact O-CB 3.5Å; E16-T19 PolarHBondContact O-N 2.94Å; H17-T19 VanDerWaalsContact C-N 3.33Å; H17-T19 PolarHBondContact O-N 2.95Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 3.12Å; T19-L22 PolarHBondContact O-N 3.37Å; T19-E23 WeakPolarHBondContact O-CG 3.29Å; T19-E23 PolarHBondContact O-N 3.05Å
20E95.5Very high94.6Very high110 Ų11093.8 Ų93.851%0.51449%0.486SS..Hα-helixtrans-61.4-41.6178.7-66.3-169.8154.800112.2E16 L22 E23 A24E16-E20 PolarHBondContact O-N 2.98Å; E20-L22 PolarHBondContact O-N 2.94Å; E20-E23 PolarHBondContact O-N 3.49Å; E20-A24 WeakPolarHBondContact O-CB 3.44Å; E20-A24 PolarHBondContact O-N 3.21Å
21L95.1Very high94.8Very high85 Ų8594.5 Ų94.545%0.44549%0.487SS..Hα-helixtrans-61.1-45.3176177.461.7000111.2H17 T19 A24 L25H17-L21 WeakPolarHBondContact O-CB 3.39Å; H17-L21 PolarHBondContact O-N 3.4Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 3.12Å; L21-A24 PolarHBondContact O-N 3.42Å; L21-L25 HydrophobicContact CD1-CD1 4.17Å; L21-L25 HydrophobicContact CD1-CG 4.35Å; L21-L25 HydrophobicContact CG-CD1 3.99Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.96Å
22L95.1Very high95Very high48 Ų4889 Ų8925%0.25147%0.466SS..Hα-helixtrans-66.2-39.3179.7-171.561.8000111.5P18 T19 E20 L25 R26 Y96 A98P18-L22 WeakPolarHBondContact O-CB 3.18Å; P18-L22 PolarHBondContact O-N 2.95Å; P18-L22 VanDerWaalsContact O-N 3.12Å; T19-L22 PolarHBondContact O-N 3.37Å; E20-L22 PolarHBondContact O-N 2.94Å; L22-L25 PolarHBondContact O-N 3.34Å; L22-R26 WeakPolarHBondContact O-CB 3.49Å; L22-R26 PolarHBondContact O-N 3.01Å; L22-Y96 WeakPolarHBondContact CD1-O 3.44Å; L22-Y96 WeakPolarHBondContact CG-O 3.47Å; L22-A98 HydrophobicContact CD2-CB 4.14Å
23E95Very high95Very high127 Ų12785.5 Ų85.559%0.59345%0.453SS*.Hα-helixtrans-61.4-42.6173.4-74.3-174.5171.900112.3T19 E20 R26 H27T19-E23 WeakPolarHBondContact O-CG 3.29Å; T19-E23 PolarHBondContact O-N 3.05Å; E20-E23 PolarHBondContact O-N 3.49Å; E23-R26 WeakPolarHBondContact O-CB 3.26Å; E23-R26 PolarHBondContact O-N 3.22Å; E23-H27 PolarHBondContact O-N 2.97Å
24A96.4Very high95Very high41 Ų4187.7 Ų87.734%0.33945%0.45SS..Hα-helixtrans-63.1-45175.200000111.8E20 L21 R26 H27 F28E20-A24 WeakPolarHBondContact O-CB 3.44Å; E20-A24 PolarHBondContact O-N 3.21Å; L21-A24 PolarHBondContact O-N 3.42Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 3.09Å; A24-H27 WeakPolarHBondContact O-CB 3.32Å; A24-H27 PolarHBondContact O-N 3.48Å; A24-H27 VanDerWaalsContact O-N 3.15Å; A24-F28 WeakPolarHBondContact O-CG 3.35Å; A24-F28 PolarHBondContact O-N 2.95Å
25L95.9Very high94.9Very high37 Ų3786.3 Ų86.319%0.19444%0.444CS..Hα-helixtrans-63.2-38.1176.8-69.8168.6000111.9L21 L22 F28 Y29 L54 Y96L21-L25 HydrophobicContact CD1-CD1 4.17Å; L21-L25 HydrophobicContact CD1-CG 4.35Å; L21-L25 HydrophobicContact CG-CD1 3.99Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.96Å; L22-L25 PolarHBondContact O-N 3.34Å; L25-F28 HydrophobicContact CD2-CD2 4.21Å; L25-F28 PolarHBondContact O-N 3.44Å; L25-Y29 PolarHBondContact O-N 3.32Å; L25-L54 HydrophobicContact CB-CD2 4.18Å; L25-L54 HydrophobicContact CD1-CD1 4.19Å; L25-L54 HydrophobicContact CD1-CD2 3.98Å; L25-L54 HydrophobicContact CD1-CG 4.39Å; L25-L54 HydrophobicContact CD2-CD1 3.94Å; L25-Y96 HydrophobicContact CB-CD1 4.37Å
26R95.4Very high94.9Very high122 Ų12287.1 Ų87.146%0.4643%0.434SS..Hα-helixtrans-62.4-42.8172.4-172.6-172.8178.3-170.9-2.4111.7L22 E23 A24 F28 Y29 I30 T97L22-R26 WeakPolarHBondContact O-CB 3.49Å; L22-R26 PolarHBondContact O-N 3.01Å; E23-R26 WeakPolarHBondContact O-CB 3.26Å; E23-R26 PolarHBondContact O-N 3.22Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 3.09Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 PolarHBondContact O-N 3.36Å; R26-Y29 WeakPolarHBondContact O-CB 3.36Å; R26-Y29 PolarHBondContact O-N 2.92Å; R26-I30 HydrophobicContact CG-CD1 4.03Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.29Å; R26-T97 HydrophobicContact CG-CG2 4.44Å
27H96.3Very high94.8Very high89 Ų8980.9 Ų80.941%0.41241%0.405SS..Hα-helixtrans-61.8-41.3175.3177.2-94.7000111.5E23 A24 I30 R31E23-H27 PolarHBondContact O-N 2.97Å; A24-H27 WeakPolarHBondContact O-CB 3.32Å; A24-H27 PolarHBondContact O-N 3.48Å; A24-H27 VanDerWaalsContact O-N 3.15Å; H27-I30 PolarHBondContact O-N 3.33Å; H27-R31 PolarHBondContact NE2-NE 3.15Å; H27-R31 WeakPolarHBondContact O-CB 3.47Å; H27-R31 VanDerWaalsContact O-CG 3.29Å; H27-R31 WeakPolarHBondContact O-CG 3.37Å; H27-R31 PolarHBondContact O-N 2.88Å
28F96.6Very high94.7Very high60 Ų6077 Ų7726%0.26339%0.388SS..Hα-helixtrans-61.9-43.9175-61.2-21.8000112.1A24 L25 R26 R31 G32 L33 F34A24-F28 WeakPolarHBondContact O-CG 3.35Å; A24-F28 PolarHBondContact O-N 2.95Å; L25-F28 HydrophobicContact CD2-CD2 4.21Å; L25-F28 PolarHBondContact O-N 3.44Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 PolarHBondContact O-N 3.36Å; F28-R31 CarbonylContact O-C 3.59Å; F28-R31 PolarHBondContact O-N 2.86Å; F28-G32 PolarHBondContact O-N 2.95Å; F28-L33 HydrophobicContact CB-CB 4.19Å; F28-L33 HydrophobicContact CD1-CB 4.22Å; F28-L33 HydrophobicContact CD1-CD1 4.07Å; F28-L33 HydrophobicContact CG-CB 4.44Å; F28-L33 PolarHBondContact O-N 3.3Å; F28-F34 HydrophobicContact CB-CD2 4.44Å; F28-F34 HydrophobicContact CD1-CD2 4.1Å; F28-F34 HydrophobicContact CD1-CE2 4.02Å; F28-F34 AromaticContact CD2-CD2 3.82Å; F28-F34 HydrophobicContact CD2-CD2 3.82Å; F28-F34 HydrophobicContact CD2-CE2 4.27Å; F28-F34 HydrophobicContact CE1-CD2 4.3Å; F28-F34 AromaticContact CE1-CE2 3.85Å; F28-F34 HydrophobicContact CE1-CE2 3.85Å; F28-F34 HydrophobicContact CE2-CD2 4.04Å; F28-F34 HydrophobicContact CE2-CE2 4.11Å; F28-F34 AromaticContact CG-CD2 3.87Å; F28-F34 HydrophobicContact CG-CD2 3.87Å; F28-F34 HydrophobicContact CG-CE2 4.25Å; F28-F34 HydrophobicContact CZ-CD2 4.28Å; F28-F34 AromaticContact CZ-CE2 3.9Å; F28-F34 HydrophobicContact CZ-CE2 3.9Å
29Y95.1Very high94.7Very high30 Ų3073 Ų7312%0.11836%0.362CS..Hα-helixtrans-57.4-52.3175170.6-118.5000112.5L25 R26 R31 G32 H49 Y96L25-Y29 PolarHBondContact O-N 3.32Å; R26-Y29 WeakPolarHBondContact O-CB 3.36Å; R26-Y29 PolarHBondContact O-N 2.92Å; Y29-R31 PolarHBondContact O-N 3.03Å; Y29-G32 PolarHBondContact O-N 3.45Å; Y29-G32 VanDerWaalsContact O-N 3.11Å; Y29-H49 VanDerWaalsContact CD2-O 3.29Å; Y29-H49 WeakPolarHBondContact CD2-O 3.27Å; Y29-H49 WeakPolarHBondContact CE2-O 3.33Å; Y29-Y96 AromaticContact CD1-CD2 3.55Å; Y29-Y96 HydrophobicContact CD1-CD2 3.55Å; Y29-Y96 AromaticContact CD1-CE2 3.93Å; Y29-Y96 HydrophobicContact CD1-CE2 3.93Å; Y29-Y96 AromaticContact CD1-CG 3.98Å; Y29-Y96 HydrophobicContact CD1-CG 3.98Å; Y29-Y96 AromaticContact CD2-CD2 3.93Å; Y29-Y96 HydrophobicContact CD2-CD2 3.93Å; Y29-Y96 HydrophobicContact CD2-CE1 4.45Å; Y29-Y96 AromaticContact CD2-CE2 3.39Å; Y29-Y96 HydrophobicContact CD2-CE2 3.39Å; Y29-Y96 AromaticContact CD2-CZ 3.69Å; Y29-Y96 AromaticContact CE1-CD2 3.93Å; Y29-Y96 HydrophobicContact CE1-CD2 3.93Å; Y29-Y96 HydrophobicContact CE1-CE2 4.27Å; Y29-Y96 HydrophobicContact CE2-CD2 4.29Å; Y29-Y96 AromaticContact CE2-CE2 3.78Å; Y29-Y96 HydrophobicContact CE2-CE2 3.78Å; Y29-Y96 HydrophobicContact CG-CD1 4.23Å; Y29-Y96 AromaticContact CG-CD2 3.54Å; Y29-Y96 HydrophobicContact CG-CD2 3.54Å; Y29-Y96 HydrophobicContact CG-CE1 4.13Å; Y29-Y96 AromaticContact CG-CE2 3.47Å; Y29-Y96 HydrophobicContact CG-CE2 3.47Å; Y29-Y96 VanDerWaalsContact CG-CE2 3.47Å; Y29-Y96 AromaticContact CG-CG 3.96Å; Y29-Y96 HydrophobicContact CG-CG 3.96Å; Y29-Y96 AromaticContact CG-CZ 3.78Å
30I94.3Very high94.7Very high114 Ų11471.2 Ų71.259%0.58535%0.348SS*.Hα-helixtrans-61.4-34.9-179.2-67167000111.7R26 H27R26-I30 HydrophobicContact CG-CD1 4.03Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.29Å; H27-I30 PolarHBondContact O-N 3.33Å
31R95.6Very high94.4Very high175 Ų17566.1 Ų66.166%0.6632%0.324SS*.Hα-helixtrans-87.5-7.2-179.8-65.4-71-169.8-173.3-1.1113.8H27 F28 Y29 L33H27-R31 PolarHBondContact NE2-NE 3.15Å; H27-R31 WeakPolarHBondContact O-CB 3.47Å; H27-R31 VanDerWaalsContact O-CG 3.29Å; H27-R31 WeakPolarHBondContact O-CG 3.37Å; H27-R31 PolarHBondContact O-N 2.88Å; F28-R31 CarbonylContact O-C 3.59Å; F28-R31 PolarHBondContact O-N 2.86Å; Y29-R31 PolarHBondContact O-N 3.03Å; R31-L33 VanDerWaalsContact C-N 3.27Å; R31-L33 HydrophobicContact CB-CD1 3.91Å; R31-L33 HydrophobicContact CB-CG 3.75Å; R31-L33 HydrophobicContact CG-CD1 4.49Å; R31-L33 PolarHBondContact O-N 2.99Å
32G93.4Very high93.5Very high33 Ų3364.5 Ų64.534%0.3433%0.328SS..THydrogen-bonded Turntrans63.829.6-172.200000113.7F28 Y29F28-G32 PolarHBondContact O-N 2.95Å; Y29-G32 PolarHBondContact O-N 3.45Å; Y29-G32 VanDerWaalsContact O-N 3.11Å
33L93.9Very high92.5Very high73 Ų7370.2 Ų70.238%0.38235%0.353SS..  trans-86.3139.5178-63.1173.7000110F28 R31 T35 H51F28-L33 HydrophobicContact CB-CB 4.19Å; F28-L33 HydrophobicContact CD1-CB 4.22Å; F28-L33 HydrophobicContact CD1-CD1 4.07Å; F28-L33 HydrophobicContact CG-CB 4.44Å; F28-L33 PolarHBondContact O-N 3.3Å; R31-L33 VanDerWaalsContact C-N 3.27Å; R31-L33 HydrophobicContact CB-CD1 3.91Å; R31-L33 HydrophobicContact CB-CG 3.75Å; R31-L33 HydrophobicContact CG-CD1 4.49Å; R31-L33 PolarHBondContact O-N 2.99Å; L33-T35 PolarHBondContact O-N 3.11Å; L33-H51 PolarHBondContact O-NE2 2.98Å
34F94.1Very high91.9Very high157 Ų15767.6 Ų67.669%0.68935%0.349SS*.SBendtrans58.314.7175.2-44.5-65.9000115.8F28 H51F28-F34 HydrophobicContact CB-CD2 4.44Å; F28-F34 HydrophobicContact CD1-CD2 4.1Å; F28-F34 HydrophobicContact CD1-CE2 4.02Å; F28-F34 AromaticContact CD2-CD2 3.82Å; F28-F34 HydrophobicContact CD2-CD2 3.82Å; F28-F34 HydrophobicContact CD2-CE2 4.27Å; F28-F34 HydrophobicContact CE1-CD2 4.3Å; F28-F34 AromaticContact CE1-CE2 3.85Å; F28-F34 HydrophobicContact CE1-CE2 3.85Å; F28-F34 HydrophobicContact CE2-CD2 4.04Å; F28-F34 HydrophobicContact CE2-CE2 4.11Å; F28-F34 AromaticContact CG-CD2 3.87Å; F28-F34 HydrophobicContact CG-CD2 3.87Å; F28-F34 HydrophobicContact CG-CE2 4.25Å; F28-F34 HydrophobicContact CZ-CD2 4.28Å; F28-F34 AromaticContact CZ-CE2 3.9Å; F28-F34 HydrophobicContact CZ-CE2 3.9Å; F34-H51 PolarHBondContact O-CD2 3.23Å; F34-H51 VanDerWaalsContact O-CD2 3.22Å
35T93.4Very high91.1Very high42 Ų4267.2 Ų67.226%0.25835%0.349SS..  trans-72.213517757.90000110.9L33 H49 C50L33-T35 PolarHBondContact O-N 3.11Å; T35-H49 HydrophobicContact CG2-CB 3.87Å; T35-H49 WeakPolarHBondContact CG2-O 3.49Å; T35-C50 WeakPolarHBondContact CA-O 3.36Å; T35-C50 VanDerWaalsContact CB-O 3.32Å; T35-C50 WeakPolarHBondContact CB-O 3.48Å
36D93.1Very high90.9Very high81 Ų8170.2 Ų70.243%0.43336%0.362SS..  trans-123.44.4-174.161.7-10.4000112.9C50 H51 R52D36-C50 PolarHBondContact N-O 3.26Å; D36-C50 VanDerWaalsContact N-O 3.09Å; D36-H51 VanDerWaalsContact OD1-CA 3.27Å; D36-H51 WeakPolarHBondContact OD1-CA 3.37Å; D36-R52 PolarHBondContact O-NE 2.63Å; D36-R52 WeakPolarHBondContact OD1-CG 3.27Å; D36-R52 PolarHBondContact OD1-N 2.79Å; D36-R52 WeakPolarHBondContact OD2-CB 3.24Å
37V93.8Very high90.8Very high2 Ų267.7 Ų67.71%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-148.9148.4173.464.10000111.1L39 C50 R52 L55 F66 I78V37-L39 HydrophobicContact CG2-CD2 4.36Å; V37-C50 HydrophobicContact CG1-CB 4Å; V37-C50 PolarHBondContact N-O 3.06Å; V37-C50 PolarHBondContact O-N 3.41Å; V37-R52 HydrophobicContact CB-CG 3.66Å; V37-R52 HydrophobicContact CG1-CG 3.62Å; V37-R52 HydrophobicContact CG2-CG 4.48Å; V37-L55 HydrophobicContact CG1-CD1 4.01Å; V37-F66 HydrophobicContact CG1-CZ 4.49Å; V37-F66 HydrophobicContact CG2-CE1 4.45Å; V37-F66 HydrophobicContact CG2-CZ 4.43Å; V37-I78 HydrophobicContact CG2-CD1 3.6Å; V37-I78 HydrophobicContact CG2-CG1 4.13Å
38T94.4Very high90.7Very high21 Ų2164.6 Ų64.613%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-118.6123.2173.2-54.10000109.2V47 F48 H49 S76 V77 I78T38-V47 HydrophobicContact CG2-CB 3.78Å; T38-V47 HydrophobicContact CG2-CG1 3.61Å; T38-F48 CarbonylContact C-O 3.6Å; T38-F48 WeakPolarHBondContact CA-O 3.41Å; T38-H49 PolarHBondContact OG1-ND1 3.45Å; T38-S76 WeakPolarHBondContact CB-O 3.37Å; T38-S76 PolarHBondContact N-O 3.45Å; T38-V77 CarbonylContact O-C 3.59Å; T38-V77 VanDerWaalsContact O-CA 3.31Å; T38-V77 WeakPolarHBondContact O-CA 3.16Å; T38-I78 PolarHBondContact O-N 2.75Å
39L93.9Very high90.6Very high0 Ų066.1 Ų66.10%035%0.353CS..EExtended strand (participates in β ladder)trans-94128.8171.6-56.7-176.8000108.8V37 V47 F48 L55 F62 I78 L80 L88 L92V37-L39 HydrophobicContact CG2-CD2 4.36Å; L39-V47 CarbonylContact O-C 3.53Å; L39-V47 VanDerWaalsContact O-CA 3.29Å; L39-V47 WeakPolarHBondContact O-CA 3.34Å; L39-F48 PolarHBondContact N-O 3.17Å; L39-F48 PolarHBondContact O-N 3.05Å; L39-L55 HydrophobicContact CD1-CD1 4.05Å; L39-L55 HydrophobicContact CG-CD1 4.46Å; L39-F62 HydrophobicContact CD1-CE1 4.24Å; L39-F62 HydrophobicContact CD1-CZ 3.9Å; L39-F62 HydrophobicContact CD2-CE1 4.03Å; L39-F62 HydrophobicContact CD2-CZ 4.5Å; L39-I78 CarbonylContact C-O 3.56Å; L39-I78 WeakPolarHBondContact CA-O 3.48Å; L39-I78 HydrophobicContact CD2-CB 3.96Å; L39-I78 HydrophobicContact CD2-CD1 4.35Å; L39-I78 HydrophobicContact CD2-CG2 4.37Å; L39-L80 HydrophobicContact CB-CD1 4.44Å; L39-L80 HydrophobicContact CD1-CD1 4.18Å; L39-L80 HydrophobicContact CD2-CD1 4.42Å; L39-L88 HydrophobicContact CB-CD2 4.44Å; L39-L92 HydrophobicContact CD1-CD1 4.44Å; L39-L92 HydrophobicContact CD1-CD2 3.95Å
40Q92.3Very high90.7Very high49 Ų4964.7 Ų64.723%0.22935%0.348CS..EExtended strand (participates in β ladder)trans-113.1125.2177.4-176.717235.200110G42 G45 Q46 V47 V77 I78 K79 L80Q40-G42 PolarHBondContact O-N 3.17Å; Q40-G45 PolarHBondContact NE2-O 3.09Å; Q40-Q46 WeakPolarHBondContact CA-O 3.49Å; Q40-V47 HydrophobicContact CB-CG1 3.8Å; Q40-V47 HydrophobicContact CG-CG1 3.93Å; Q40-V77 HydrophobicContact CB-CG1 4.19Å; Q40-I78 PolarHBondContact N-O 2.83Å; Q40-K79 HydrophobicContact CB-CG 4.24Å; Q40-K79 WeakPolarHBondContact O-CA 3.32Å; Q40-L80 PolarHBondContact O-N 3.34Å
41C89.1Confident90.7Very high3 Ų360 Ų602%0.0232%0.323CS..EExtended strand (participates in β ladder)trans-70.4126.3171.6-690000110.1E43 S44 G45 Q46 C85 L88C41-E43 VanDerWaalsContact C-N 3.31Å; C41-E43 PolarHBondContact O-N 2.95Å; C41-S44 WeakPolarHBondContact CB-OG 3.29Å; C41-G45 VanDerWaalsContact O-CA 3.31Å; C41-G45 WeakPolarHBondContact O-CA 3.47Å; C41-G45 PolarHBondContact O-N 3.26Å; C41-Q46 PolarHBondContact N-O 3.13Å; C41-C85 HydrophobicContact CB-CB 4.13Å; C41-C85 PolarHBondContact SG-SG 2.78Å; C41-L88 WeakPolarHBondContact SG-CD2 3.17Å
42G75.5Confident90.6Very high50 Ų5053.9 Ų53.952%0.51530%0.3SS..THydrogen-bonded Turntrans-60.6-35.9-174.100000114.3Q40 L80Q40-G42 PolarHBondContact O-N 3.17Å; G42-L80 PolarHBondContact N-O 3.2Å
43E74.3Confident90.6Very high168 Ų16855.7 Ų55.779%0.78531%0.312SS*.THydrogen-bonded Turntrans-90.5-46.2-173-64.8179-174.700113.5C41C41-E43 VanDerWaalsContact C-N 3.31Å; C41-E43 PolarHBondContact O-N 2.95Å
44S82.2Confident90.7Very high72 Ų7253.4 Ų53.450%0.50330%0.3SS..THydrogen-bonded Turntrans-86.4-19.7-178.366.70000113.5C41 Q46C41-S44 WeakPolarHBondContact CB-OG 3.29Å; S44-Q46 PolarHBondContact O-N 2.99Å; S44-Q46 WeakPolarHBondContact OG-CB 3.46Å; S44-Q46 PolarHBondContact OG-N 2.73Å
45G81.5Confident90.8Very high33 Ų3346 Ų4634%0.3427%0.267SS..  trans71.11-171.600000114.5Q40 C41Q40-G45 PolarHBondContact NE2-O 3.09Å; C41-G45 VanDerWaalsContact O-CA 3.31Å; C41-G45 WeakPolarHBondContact O-CA 3.47Å; C41-G45 PolarHBondContact O-N 3.26Å
46Q90.3Very high90.8Very high101 Ų10145 Ų4547%0.47226%0.264SS..  trans-60.6142.9176.7179.8169.3-16.600110.7Q40 C41 S44 F48 C85Q40-Q46 WeakPolarHBondContact CA-O 3.49Å; C41-Q46 PolarHBondContact N-O 3.13Å; S44-Q46 PolarHBondContact O-N 2.99Å; S44-Q46 WeakPolarHBondContact OG-CB 3.46Å; S44-Q46 PolarHBondContact OG-N 2.73Å; Q46-F48 HydrophobicContact CG-CE2 3.98Å; Q46-F48 HydrophobicContact CG-CZ 4.11Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.26Å; Q46-C85 VanDerWaalsContact CB-SG 3.51Å; Q46-C85 PolarHBondContact OE1-SG 3.43Å
47V92.9Very high90.9Very high69 Ų6944.8 Ų44.842%0.41827%0.273SS..EExtended strand (participates in β ladder)trans-121.7141.1-174.4-89.90000111.8T38 L39 Q40T38-V47 HydrophobicContact CG2-CB 3.78Å; T38-V47 HydrophobicContact CG2-CG1 3.61Å; L39-V47 CarbonylContact O-C 3.53Å; L39-V47 VanDerWaalsContact O-CA 3.29Å; L39-V47 WeakPolarHBondContact O-CA 3.34Å; Q40-V47 HydrophobicContact CB-CG1 3.8Å; Q40-V47 HydrophobicContact CG-CG1 3.93Å
48F94.8Very high90.9Very high24 Ų2450.2 Ų50.211%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-125118.8177.8-61-91.1000110T38 L39 Q46 L88 L92T38-F48 CarbonylContact C-O 3.6Å; T38-F48 WeakPolarHBondContact CA-O 3.41Å; L39-F48 PolarHBondContact N-O 3.17Å; L39-F48 PolarHBondContact O-N 3.05Å; Q46-F48 HydrophobicContact CG-CE2 3.98Å; Q46-F48 HydrophobicContact CG-CZ 4.11Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.26Å; F48-L88 HydrophobicContact CD2-CD2 4.03Å; F48-L88 HydrophobicContact CE2-CD2 4.1Å; F48-L92 HydrophobicContact CB-CD1 3.48Å; F48-L92 VanDerWaalsContact CB-CD1 3.48Å; F48-L92 HydrophobicContact CD1-CD1 3.68Å; F48-L92 HydrophobicContact CD2-CD1 4.03Å; F48-L92 HydrophobicContact CE1-CD1 4.38Å; F48-L92 HydrophobicContact CG-CD1 3.46Å; F48-L92 VanDerWaalsContact CG-CD1 3.46Å
49H95.1Very high91Very high91 Ų9149.2 Ų49.242%0.42129%0.288SS..EExtended strand (participates in β ladder)trans-85.3119.6175.7-59.3-64.7000109.7Y29 T35 T38Y29-H49 VanDerWaalsContact CD2-O 3.29Å; Y29-H49 WeakPolarHBondContact CD2-O 3.27Å; Y29-H49 WeakPolarHBondContact CE2-O 3.33Å; T35-H49 HydrophobicContact CG2-CB 3.87Å; T35-H49 WeakPolarHBondContact CG2-O 3.49Å; T38-H49 PolarHBondContact OG1-ND1 3.45Å
50C95.8Very high91Very high0 Ų051.7 Ų51.70%031%0.305CS..EExtended strand (participates in β ladder)trans-132.3173.6-168.6-60.30000112T35 D36 V37 L55T35-C50 WeakPolarHBondContact CA-O 3.36Å; T35-C50 VanDerWaalsContact CB-O 3.32Å; T35-C50 WeakPolarHBondContact CB-O 3.48Å; D36-C50 PolarHBondContact N-O 3.26Å; D36-C50 VanDerWaalsContact N-O 3.09Å; V37-C50 HydrophobicContact CG1-CB 4Å; V37-C50 PolarHBondContact N-O 3.06Å; V37-C50 PolarHBondContact O-N 3.41Å; C50-L55 HydrophobicContact CB-CD1 3.81Å; C50-L55 HydrophobicContact CB-CG 4.36Å
51H95.4Very high91.1Very high15 Ų1552.8 Ų52.87%0.06931%0.307CS..  trans-107.2120175.1-53.785.1000110L33 F34 D36 A53 L54 L55 Y96L33-H51 PolarHBondContact O-NE2 2.98Å; F34-H51 PolarHBondContact O-CD2 3.23Å; F34-H51 VanDerWaalsContact O-CD2 3.22Å; D36-H51 VanDerWaalsContact OD1-CA 3.27Å; D36-H51 WeakPolarHBondContact OD1-CA 3.37Å; H51-A53 PolarHBondContact O-N 3.27Å; H51-L54 HydrophobicContact CB-CB 4.36Å; H51-L54 HydrophobicContact CB-CD1 3.7Å; H51-L54 PolarHBondContact O-N 2.76Å; H51-L55 PolarHBondContact O-N 2.8Å; H51-L55 VanDerWaalsContact O-N 3.13Å; H51-Y96 PolarHBondContact N-OH 3.29Å; H51-Y96 AromaticContact ND1-CE1 3.49Å; H51-Y96 WeakPolarHBondContact ND1-CE1 3.48Å; H51-Y96 AromaticContact ND1-CZ 3.64Å; H51-Y96 PolarHBondContact ND1-OH 2.83Å
52R93.4Very high91.4Very high47 Ų4752.7 Ų52.718%0.17731%0.307CS..Hα-helixtrans-54.4-42178.7-71174.7167.5-134.5-4.9111.7D36 V37 L54 L55 A56 F66 R73 D75D36-R52 PolarHBondContact O-NE 2.63Å; D36-R52 WeakPolarHBondContact OD1-CG 3.27Å; D36-R52 PolarHBondContact OD1-N 2.79Å; D36-R52 WeakPolarHBondContact OD2-CB 3.24Å; V37-R52 HydrophobicContact CB-CG 3.66Å; V37-R52 HydrophobicContact CG1-CG 3.62Å; V37-R52 HydrophobicContact CG2-CG 4.48Å; R52-L54 PolarHBondContact O-N 3.23Å; R52-L55 PolarHBondContact O-N 2.86Å; R52-A56 VanDerWaalsContact O-CB 3.24Å; R52-A56 WeakPolarHBondContact O-CB 3.5Å; R52-A56 PolarHBondContact O-N 3.19Å; R52-F66 HydrophobicContact CB-CD2 3.73Å; R52-F66 HydrophobicContact CB-CE2 3.75Å; R52-F66 HydrophobicContact CB-CG 4.36Å; R52-F66 HydrophobicContact CB-CZ 4.39Å; R52-F66 HydrophobicContact CG-CD1 4.41Å; R52-F66 HydrophobicContact CG-CD2 4.03Å; R52-F66 HydrophobicContact CG-CE1 4.25Å; R52-F66 HydrophobicContact CG-CE2 3.86Å; R52-F66 HydrophobicContact CG-CG 4.33Å; R52-F66 HydrophobicContact CG-CZ 3.98Å; R52-R73 PolarHBondContact NH1-O 3.12Å; R52-R73 PolarHBondContact NH2-O 2.88Å; R52-R73 VanDerWaalsContact NH2-O 3.09Å; R52-D75 PolarHBondContact NH2-O 2.89Å
53A93.8Very high92.2Very high71 Ų7156.1 Ų56.159%0.58731%0.307SS*.Hα-helixtrans-59.6-44.4-179.600000112.5H51 A57H51-A53 PolarHBondContact O-N 3.27Å; A53-A57 VanDerWaalsContact O-CB 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.14Å; A53-A57 PolarHBondContact O-N 3.43Å
54L95.4Very high93Very high26 Ų2651.6 Ų51.614%0.13629%0.291CS..Hα-helixtrans-71.5-42.8179.6-84.491.5000112L25 H51 R52 A56 A57 R58 V95 Y96L25-L54 HydrophobicContact CB-CD2 4.18Å; L25-L54 HydrophobicContact CD1-CD1 4.19Å; L25-L54 HydrophobicContact CD1-CD2 3.98Å; L25-L54 HydrophobicContact CD1-CG 4.39Å; L25-L54 HydrophobicContact CD2-CD1 3.94Å; H51-L54 HydrophobicContact CB-CB 4.36Å; H51-L54 HydrophobicContact CB-CD1 3.7Å; H51-L54 PolarHBondContact O-N 2.76Å; R52-L54 PolarHBondContact O-N 3.23Å; L54-A56 PolarHBondContact O-N 3.11Å; L54-A57 PolarHBondContact O-N 2.85Å; L54-R58 PolarHBondContact O-N 2.87Å; L54-R58 VanDerWaalsContact O-N 3.11Å; L54-V95 HydrophobicContact CB-CG1 3.74Å; L54-V95 HydrophobicContact CD2-CG1 4.13Å; L54-Y96 HydrophobicContact CB-CE1 4.47Å; L54-Y96 HydrophobicContact CD1-CE1 4.48Å; L54-Y96 HydrophobicContact CD2-CD1 3.57Å; L54-Y96 HydrophobicContact CD2-CE1 3.46Å; L54-Y96 VanDerWaalsContact CD2-CE1 3.46Å; L54-Y96 HydrophobicContact CG-CE1 4.35Å
55L95.6Very high93.4Very high0 Ų048.8 Ų48.80%027%0.27CS..Hα-helixtrans-58.6-48.2175.6-70.1177.3000110.9V37 L39 C50 H51 R52 A57 R58 S59 F62 F66 L92 V95V37-L55 HydrophobicContact CG1-CD1 4.01Å; L39-L55 HydrophobicContact CD1-CD1 4.05Å; L39-L55 HydrophobicContact CG-CD1 4.46Å; C50-L55 HydrophobicContact CB-CD1 3.81Å; C50-L55 HydrophobicContact CB-CG 4.36Å; H51-L55 PolarHBondContact O-N 2.8Å; H51-L55 VanDerWaalsContact O-N 3.13Å; R52-L55 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.49Å; L55-R58 PolarHBondContact O-N 3.42Å; L55-S59 WeakPolarHBondContact O-CB 3.21Å; L55-S59 PolarHBondContact O-N 3.4Å; L55-F62 HydrophobicContact CB-CB 3.9Å; L55-F62 HydrophobicContact CB-CD2 3.94Å; L55-F62 HydrophobicContact CB-CG 3.96Å; L55-F62 HydrophobicContact CD2-CD2 4.1Å; L55-F62 HydrophobicContact CD2-CE2 4.13Å; L55-F62 HydrophobicContact CG-CD2 4.44Å; L55-F66 HydrophobicContact CB-CE2 4.01Å; L55-F66 HydrophobicContact CD1-CE2 4.35Å; L55-F66 HydrophobicContact CD1-CZ 4.26Å; L55-L92 HydrophobicContact CD2-CD2 3.56Å; L55-V95 HydrophobicContact CD2-CG2 4.37Å
56A94.8Very high93.8Very high22 Ų2248.1 Ų48.118%0.18226%0.258CS..Hα-helixtrans-65.7-29.7176.500000113.7R52 L54 R58 K63 F66R52-A56 VanDerWaalsContact O-CB 3.24Å; R52-A56 WeakPolarHBondContact O-CB 3.5Å; R52-A56 PolarHBondContact O-N 3.19Å; L54-A56 PolarHBondContact O-N 3.11Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-K63 HydrophobicContact CB-CB 3.96Å; A56-K63 HydrophobicContact CB-CG 4.28Å; A56-K63 WeakPolarHBondContact O-CB 3.48Å; A56-F66 HydrophobicContact CB-CD2 4.17Å
57A94.4Very high93.6Very high77 Ų7748 Ų4864%0.63626%0.264SS*.Hα-helixtrans-71.2-29.6176.200000112.4A53 L54 L55A53-A57 VanDerWaalsContact O-CB 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.14Å; A53-A57 PolarHBondContact O-N 3.43Å; L54-A57 PolarHBondContact O-N 2.85Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.49Å
58R94.3Very high92.8Very high115 Ų11546.3 Ų46.343%0.43426%0.257SS..Hα-helixtrans-106.8-16.7-174.5-64.5-51-55.5168.5-2.2115.1L54 L55 A56 Y94 V95 F119L54-R58 PolarHBondContact O-N 2.87Å; L54-R58 VanDerWaalsContact O-N 3.11Å; L55-R58 PolarHBondContact O-N 3.42Å; A56-R58 VanDerWaalsContact C-N 3.33Å; R58-Y94 PolarHBondContact NH2-OH 2.95Å; R58-V95 HydrophobicContact CB-CG2 4Å; R58-V95 HydrophobicContact CG-CG1 4.18Å; R58-V95 HydrophobicContact CG-CG2 4.35Å; R58-F119 HydrophobicContact CB-CE1 4.07Å
59S96.4Very high91.4Very high1 Ų152.3 Ų52.31%0.00729%0.29CS..  trans-135123.2180154.10000110L55 Y61 F62 K63 L117L55-S59 WeakPolarHBondContact O-CB 3.21Å; L55-S59 PolarHBondContact O-N 3.4Å; S59-Y61 VanDerWaalsContact C-N 3.25Å; S59-Y61 PolarHBondContact O-N 3.19Å; S59-Y61 PolarHBondContact OG-N 3.38Å; S59-F62 PolarHBondContact O-N 3.13Å; S59-F62 VanDerWaalsContact OG-CD2 3.32Å; S59-F62 WeakPolarHBondContact OG-CD2 3.23Å; S59-F62 PolarHBondContact OG-N 3.18Å; S59-K63 PolarHBondContact O-N 3.16Å; S59-L117 WeakPolarHBondContact CB-O 3.13Å; S59-L117 PolarHBondContact OG-O 3.39Å
60S94.6Very high90Very high51 Ų5151.9 Ų51.936%0.35729%0.29SS..Hα-helixtrans-67.5-28.3175.643.90000112.2K63 V64 Q118S60-K63 WeakPolarHBondContact O-CB 3.25Å; S60-K63 PolarHBondContact O-N 2.63Å; S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.3Å; S60-V64 WeakPolarHBondContact O-CG2 3.48Å; S60-V64 PolarHBondContact O-N 3.32Å; S60-Q118 VanDerWaalsContact CB-OE1 3.28Å; S60-Q118 WeakPolarHBondContact OG-CB 3.44Å; S60-Q118 PolarHBondContact OG-OE1 3.18Å
61Y94.1Very high88.3Confident73 Ų7362 Ų6229%0.28633%0.328SS..Hα-helixtrans-58.6-54.2173.3175.2-93.6000110.9S59 K63 V64 M65 L80 L117 Q118S59-Y61 VanDerWaalsContact C-N 3.25Å; S59-Y61 PolarHBondContact O-N 3.19Å; S59-Y61 PolarHBondContact OG-N 3.38Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.41Å; Y61-V64 PolarHBondContact O-N 3.19Å; Y61-M65 HydrophobicContact CD1-CE 4.25Å; Y61-M65 HydrophobicContact CE1-CE 3.27Å; Y61-M65 HydrophobicContact CE1-SD 4.36Å; Y61-M65 HydrophobicContact CE2-CE 4.46Å; Y61-M65 VanDerWaalsContact CZ-CE 3.4Å; Y61-M65 WeakPolarHBondContact O-CB 3.31Å; Y61-M65 PolarHBondContact O-N 3.1Å; Y61-M65 WeakPolarHBondContact OH-CE 3.45Å; Y61-L80 HydrophobicContact CE1-CD2 4.38Å; Y61-L117 WeakPolarHBondContact CB-O 3.35Å; Y61-L117 HydrophobicContact CD1-CD2 3.74Å; Y61-L117 HydrophobicContact CE1-CD2 3.68Å; Y61-L117 HydrophobicContact CG-CD2 4.4Å; Y61-Q118 VanDerWaalsContact N-OE1 3.14Å
62F94.1Very high86.9Confident1 Ų164.6 Ų64.60%0.00434%0.34CS..Hα-helixtrans-66.2-35.6177.9-71-57.9000112.1L39 L55 S59 V64 M65 F66 L80 L117 F119L39-F62 HydrophobicContact CD1-CE1 4.24Å; L39-F62 HydrophobicContact CD1-CZ 3.9Å; L39-F62 HydrophobicContact CD2-CE1 4.03Å; L39-F62 HydrophobicContact CD2-CZ 4.5Å; L55-F62 HydrophobicContact CB-CB 3.9Å; L55-F62 HydrophobicContact CB-CD2 3.94Å; L55-F62 HydrophobicContact CB-CG 3.96Å; L55-F62 HydrophobicContact CD2-CD2 4.1Å; L55-F62 HydrophobicContact CD2-CE2 4.13Å; L55-F62 HydrophobicContact CG-CD2 4.44Å; S59-F62 PolarHBondContact O-N 3.13Å; S59-F62 VanDerWaalsContact OG-CD2 3.32Å; S59-F62 WeakPolarHBondContact OG-CD2 3.23Å; S59-F62 PolarHBondContact OG-N 3.18Å; F62-V64 PolarHBondContact O-N 3.27Å; F62-M65 HydrophobicContact CD1-SD 4.14Å; F62-M65 PolarHBondContact O-N 2.81Å; F62-F66 HydrophobicContact CB-CD2 4.36Å; F62-F66 HydrophobicContact CB-CE2 3.8Å; F62-F66 HydrophobicContact CB-CZ 4.2Å; F62-F66 HydrophobicContact CD1-CE2 4.4Å; F62-F66 AromaticContact CD1-CZ 3.94Å; F62-F66 HydrophobicContact CD1-CZ 3.94Å; F62-F66 HydrophobicContact CG-CE2 4.41Å; F62-F66 HydrophobicContact CG-CZ 4.4Å; F62-F66 WeakPolarHBondContact O-CB 3.29Å; F62-F66 WeakPolarHBondContact O-CD2 3.38Å; F62-F66 WeakPolarHBondContact O-CG 3.4Å; F62-F66 PolarHBondContact O-N 2.96Å; F62-L80 HydrophobicContact CE1-CD1 4.43Å; F62-L80 HydrophobicContact CZ-CD1 4.08Å; F62-L117 HydrophobicContact CZ-CD1 4.44Å; F62-L117 HydrophobicContact CZ-CD2 4.16Å; F62-F119 HydrophobicContact CD2-CZ 4.42Å; F62-F119 HydrophobicContact CE2-CE2 4.13Å; F62-F119 HydrophobicContact CE2-CZ 4.19Å
63K93.2Very high85.6Confident121 Ų12168.2 Ų68.253%0.52635%0.354SS..Hα-helixtrans-57.8-50.7174.3-172177.4177.1179.90111.6A56 S59 S60 Y61 F66 T67A56-K63 HydrophobicContact CB-CB 3.96Å; A56-K63 HydrophobicContact CB-CG 4.28Å; A56-K63 WeakPolarHBondContact O-CB 3.48Å; S59-K63 PolarHBondContact O-N 3.16Å; S60-K63 WeakPolarHBondContact O-CB 3.25Å; S60-K63 PolarHBondContact O-N 2.63Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.41Å; K63-F66 PolarHBondContact O-N 2.84Å; K63-T67 WeakPolarHBondContact O-CB 3.48Å; K63-T67 WeakPolarHBondContact O-CG2 3.48Å; K63-T67 PolarHBondContact O-N 2.92Å; K63-T67 VanDerWaalsContact O-N 3.12Å; K63-T67 PolarHBondContact O-OG1 3.27Å
64V91.8Very high84.4Confident74 Ų7470 Ų7045%0.44836%0.362SS..Hα-helixtrans-64.8-45.4179.1172.60000110.1S60 Y61 F62 F66 T67 A68 M70S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.3Å; S60-V64 WeakPolarHBondContact O-CG2 3.48Å; S60-V64 PolarHBondContact O-N 3.32Å; Y61-V64 PolarHBondContact O-N 3.19Å; F62-V64 PolarHBondContact O-N 3.27Å; V64-F66 VanDerWaalsContact C-N 3.31Å; V64-F66 PolarHBondContact O-N 3.42Å; V64-T67 PolarHBondContact O-N 3.36Å; V64-A68 HydrophobicContact CG1-CB 4.33Å; V64-A68 WeakPolarHBondContact O-CB 3.28Å; V64-A68 PolarHBondContact O-N 2.82Å; V64-M70 HydrophobicContact CG1-CE 3.64Å
65M89.7Confident83.5Confident12 Ų1272.2 Ų72.26%0.05937%0.374CS..Hα-helixtrans-55.2-41.1176.7-179.3-176.3-79.600113.3Y61 F62 E72 I78Y61-M65 HydrophobicContact CD1-CE 4.25Å; Y61-M65 HydrophobicContact CE1-CE 3.27Å; Y61-M65 HydrophobicContact CE1-SD 4.36Å; Y61-M65 HydrophobicContact CE2-CE 4.46Å; Y61-M65 VanDerWaalsContact CZ-CE 3.4Å; Y61-M65 WeakPolarHBondContact O-CB 3.31Å; Y61-M65 PolarHBondContact O-N 3.1Å; Y61-M65 WeakPolarHBondContact OH-CE 3.45Å; F62-M65 HydrophobicContact CD1-SD 4.14Å; F62-M65 PolarHBondContact O-N 2.81Å; M65-E72 HydrophobicContact CG-CB 3.93Å; M65-E72 HydrophobicContact SD-CB 4.43Å; M65-I78 HydrophobicContact CE-CG2 4.27Å; M65-I78 HydrophobicContact SD-CD1 3.73Å; M65-I78 HydrophobicContact SD-CG2 4.01Å
66F89.2Confident82.8Confident20 Ų2076 Ų769%0.08840%0.4CS..Hα-helixtrans-85.5-17.8-177.7-57.8-30.6000114.6V37 R52 L55 A56 F62 K63 V64 I78V37-F66 HydrophobicContact CG1-CZ 4.49Å; V37-F66 HydrophobicContact CG2-CE1 4.45Å; V37-F66 HydrophobicContact CG2-CZ 4.43Å; R52-F66 HydrophobicContact CB-CD2 3.73Å; R52-F66 HydrophobicContact CB-CE2 3.75Å; R52-F66 HydrophobicContact CB-CG 4.36Å; R52-F66 HydrophobicContact CB-CZ 4.39Å; R52-F66 HydrophobicContact CG-CD1 4.41Å; R52-F66 HydrophobicContact CG-CD2 4.03Å; R52-F66 HydrophobicContact CG-CE1 4.25Å; R52-F66 HydrophobicContact CG-CE2 3.86Å; R52-F66 HydrophobicContact CG-CG 4.33Å; R52-F66 HydrophobicContact CG-CZ 3.98Å; L55-F66 HydrophobicContact CB-CE2 4.01Å; L55-F66 HydrophobicContact CD1-CE2 4.35Å; L55-F66 HydrophobicContact CD1-CZ 4.26Å; A56-F66 HydrophobicContact CB-CD2 4.17Å; F62-F66 HydrophobicContact CB-CD2 4.36Å; F62-F66 HydrophobicContact CB-CE2 3.8Å; F62-F66 HydrophobicContact CB-CZ 4.2Å; F62-F66 HydrophobicContact CD1-CE2 4.4Å; F62-F66 AromaticContact CD1-CZ 3.94Å; F62-F66 HydrophobicContact CD1-CZ 3.94Å; F62-F66 HydrophobicContact CG-CE2 4.41Å; F62-F66 HydrophobicContact CG-CZ 4.4Å; F62-F66 WeakPolarHBondContact O-CB 3.29Å; F62-F66 WeakPolarHBondContact O-CD2 3.38Å; F62-F66 WeakPolarHBondContact O-CG 3.4Å; F62-F66 PolarHBondContact O-N 2.96Å; K63-F66 PolarHBondContact O-N 2.84Å; V64-F66 VanDerWaalsContact C-N 3.31Å; V64-F66 PolarHBondContact O-N 3.42Å; F66-I78 HydrophobicContact CE1-CD1 3.55Å; F66-I78 HydrophobicContact CZ-CD1 4.26Å
67T85.9Confident82.6Confident98 Ų9878 Ų7860%0.60141%0.41SS*.Hα-helixtrans-110.7-27.7-173.958.50000114.2K63 V64K63-T67 WeakPolarHBondContact O-CB 3.48Å; K63-T67 WeakPolarHBondContact O-CG2 3.48Å; K63-T67 PolarHBondContact O-N 2.92Å; K63-T67 VanDerWaalsContact O-N 3.12Å; K63-T67 PolarHBondContact O-OG1 3.27Å; V64-T67 PolarHBondContact O-N 3.36Å
68A76.7Confident82.4Confident34 Ų3474.7 Ų74.728%0.28138%0.382SS..SBendtrans-70.3155.7171.300000110.1V64 M70V64-A68 HydrophobicContact CG1-CB 4.33Å; V64-A68 WeakPolarHBondContact O-CB 3.28Å; V64-A68 PolarHBondContact O-N 2.82Å; A68-M70 HydrophobicContact CB-CE 3.87Å; A68-M70 HydrophobicContact CB-CG 3.98Å; A68-M70 PolarHBondContact O-N 2.79Å
69D66.3Low82.2Confident149 Ų14976.6 Ų76.680%0.79739%0.393SS*.SBendtrans-7259.6170.8-94.5-17.9000110.8R73D69-R73 IonicContact OD1-CZ 3.95Å; D69-R73 IonicContact OD1-NH1 2.75Å; D69-R73 PolarHBondContact OD1-NH1 3.36Å
70M64.3Low81.8Confident83 Ų8377 Ų7741%0.40940%0.395SS..  trans-96159171.7-66.8-157.1-125.600110.7V64 A68 E72 R73V64-M70 HydrophobicContact CG1-CE 3.64Å; A68-M70 HydrophobicContact CB-CE 3.87Å; A68-M70 HydrophobicContact CB-CG 3.98Å; A68-M70 PolarHBondContact O-N 2.79Å; M70-E72 VanDerWaalsContact C-N 3.26Å; M70-E72 WeakPolarHBondContact CB-OE2 3.3Å; M70-E72 PolarHBondContact O-N 2.87Å; M70-R73 WeakPolarHBondContact O-CB 3.18Å; M70-R73 PolarHBondContact O-N 2.84Å
71R61.4Low81.4Confident211 Ų21179.4 Ų79.480%0.79641%0.412SS*.G310 helixtrans-64.5-37-175.9-161.5176.4-173.5177.80.7111.1R73 S74R71-R73 PolarHBondContact O-N 2.82Å; R71-S74 PolarHBondContact O-N 3.3Å
72E65.5Low81Confident71 Ų7179 Ų7933%0.33243%0.429SS..G310 helixtrans-63.6-18.4179.1-63.677.8-175.600112.8M65 M70 S74 D75M65-E72 HydrophobicContact CG-CB 3.93Å; M65-E72 HydrophobicContact SD-CB 4.43Å; M70-E72 VanDerWaalsContact C-N 3.26Å; M70-E72 WeakPolarHBondContact CB-OE2 3.3Å; M70-E72 PolarHBondContact O-N 2.87Å; E72-S74 PolarHBondContact O-N 3.32Å; E72-D75 PolarHBondContact O-N 3.49Å
73R66.8Low80.9Confident123 Ų12379.3 Ų79.346%0.46443%0.432SS..G310 helixtrans-53.8-36.5172.8-179.3-179172.8-171.7-0.3111.5R52 D69 M70 R71R52-R73 PolarHBondContact NH1-O 3.12Å; R52-R73 PolarHBondContact NH2-O 2.88Å; R52-R73 VanDerWaalsContact NH2-O 3.09Å; D69-R73 IonicContact OD1-CZ 3.95Å; D69-R73 IonicContact OD1-NH1 2.75Å; D69-R73 PolarHBondContact OD1-NH1 3.36Å; M70-R73 WeakPolarHBondContact O-CB 3.18Å; M70-R73 PolarHBondContact O-N 2.84Å; R71-R73 PolarHBondContact O-N 2.82Å
74S68.4Low80.8Confident107 Ų10777.4 Ų77.475%0.74843%0.427SS*.SBendtrans-99.6-11.2-175.6-48.30000113.4R71 E72R71-S74 PolarHBondContact O-N 3.3Å; E72-S74 PolarHBondContact O-N 3.32Å
75D77.1Confident80.9Confident73 Ų7374.7 Ų74.739%0.3941%0.411SS..  trans-82.2133-177.1-74.1-22.9000111.2R52 E72R52-D75 PolarHBondContact NH2-O 2.89Å; E72-D75 PolarHBondContact O-N 3.49Å
76S80.7Confident81.1Confident80 Ų8077.6 Ų77.656%0.55944%0.438SS*.SBendtrans-82.2-16.3175.157.70000112.8T38T38-S76 WeakPolarHBondContact CB-O 3.37Å; T38-S76 PolarHBondContact N-O 3.45Å
77V89.7Confident81.4Confident65 Ų6577 Ų7739%0.39444%0.436SS..EExtended strand (participates in β ladder)trans-127.4122.3-179.6-174.10000109.8T38 Q40T38-V77 CarbonylContact O-C 3.59Å; T38-V77 VanDerWaalsContact O-CA 3.31Å; T38-V77 WeakPolarHBondContact O-CA 3.16Å; Q40-V77 HydrophobicContact CB-CG1 4.19Å
78I90.3Very high81.8Confident7 Ų772.5 Ų72.54%0.03641%0.408CS..EExtended strand (participates in β ladder)trans-116.6122.1-177.4-59.4173.9000108.2V37 T38 L39 Q40 M65 F66 L80V37-I78 HydrophobicContact CG2-CD1 3.6Å; V37-I78 HydrophobicContact CG2-CG1 4.13Å; T38-I78 PolarHBondContact O-N 2.75Å; L39-I78 CarbonylContact C-O 3.56Å; L39-I78 WeakPolarHBondContact CA-O 3.48Å; L39-I78 HydrophobicContact CD2-CB 3.96Å; L39-I78 HydrophobicContact CD2-CD1 4.35Å; L39-I78 HydrophobicContact CD2-CG2 4.37Å; Q40-I78 PolarHBondContact N-O 2.83Å; M65-I78 HydrophobicContact CE-CG2 4.27Å; M65-I78 HydrophobicContact SD-CD1 3.73Å; M65-I78 HydrophobicContact SD-CG2 4.01Å; F66-I78 HydrophobicContact CE1-CD1 3.55Å; F66-I78 HydrophobicContact CZ-CD1 4.26Å; I78-L80 HydrophobicContact CG2-CD2 4.28Å
79K89.5Confident82.7Confident155 Ų15571.3 Ų71.367%0.67440%0.399SS*.EExtended strand (participates in β ladder)trans-91.4119.3178.9-68179.3178.8-178.50109.6Q40Q40-K79 HydrophobicContact CB-CG 4.24Å; Q40-K79 WeakPolarHBondContact O-CA 3.32Å
80L89.6Confident84.2Confident10 Ų1065.5 Ų65.55%0.05237%0.371CS..EExtended strand (participates in β ladder)trans-102112.4175.3-63.4174.9000108.6L39 Q40 G42 Y61 F62 I78 L88 L117L39-L80 HydrophobicContact CB-CD1 4.44Å; L39-L80 HydrophobicContact CD1-CD1 4.18Å; L39-L80 HydrophobicContact CD2-CD1 4.42Å; Q40-L80 PolarHBondContact O-N 3.34Å; G42-L80 PolarHBondContact N-O 3.2Å; Y61-L80 HydrophobicContact CE1-CD2 4.38Å; F62-L80 HydrophobicContact CE1-CD1 4.43Å; F62-L80 HydrophobicContact CZ-CD1 4.08Å; I78-L80 HydrophobicContact CG2-CD2 4.28Å; L80-L88 HydrophobicContact CD1-CD1 3.93Å; L80-L88 HydrophobicContact CD1-CD2 4.03Å; L80-L117 HydrophobicContact CD2-CD2 4.27Å
81S86.3Confident85.7Confident100 Ų10061.5 Ų61.570%0.69935%0.352SS*.  trans-95.3145.4173.352.20000110.7
82G85.2Confident87.4Confident64 Ų6451.5 Ų51.566%0.6631%0.314SS*.SBendtrans80.616176.500000114.9
83V91.4Very high88.8Confident8 Ų851.9 Ų51.95%0.04832%0.318CS..SBendtrans-124.2124.3172.7-177.20000108.6V87 L88 A113 L116 L117V83-V87 HydrophobicContact CG1-CG1 4.49Å; V83-L88 HydrophobicContact CG1-CB 3.99Å; V83-A113 HydrophobicContact CG1-CB 3.77Å; V83-A113 HydrophobicContact CG2-CB 4.4Å; V83-L116 HydrophobicContact CG2-CD2 3.73Å; V83-L117 HydrophobicContact CG2-CD1 4.47Å
84D91.4Very high90.3Very high81 Ų8147.1 Ų47.143%0.43330%0.301SS..  trans-59.5142.4173.9172.5-99.3000111A86 V87 L88D84-A86 PolarHBondContact O-N 3.03Å; D84-A86 WeakPolarHBondContact OD1-CA 3.35Å; D84-A86 VanDerWaalsContact OD1-CB 3.24Å; D84-A86 WeakPolarHBondContact OD1-CB 3.49Å; D84-A86 PolarHBondContact OD1-N 3.2Å; D84-V87 HydrophobicContact CB-CB 4.18Å; D84-V87 HydrophobicContact CB-CG2 4Å; D84-V87 PolarHBondContact O-N 3.44Å; D84-V87 PolarHBondContact OD1-N 3.34Å; D84-L88 PolarHBondContact O-N 3.44Å
85C92.8Very high91.6Very high17 Ų1742.4 Ų42.412%0.11527%0.267CS..Hα-helixtrans-69.2-33.3-173.4-1700000113.3C41 Q46 G89C41-C85 HydrophobicContact CB-CB 4.13Å; C41-C85 PolarHBondContact SG-SG 2.78Å; Q46-C85 VanDerWaalsContact CB-SG 3.51Å; Q46-C85 PolarHBondContact OE1-SG 3.43Å; C85-G89 PolarHBondContact O-N 2.59Å
86A93.9Very high92.5Very high74 Ų7439 Ų3961%0.61225%0.249SC*.Hα-helixtrans-71.5-39.317600000110.5D84 G89 A90D84-A86 PolarHBondContact O-N 3.03Å; D84-A86 WeakPolarHBondContact OD1-CA 3.35Å; D84-A86 VanDerWaalsContact OD1-CB 3.24Å; D84-A86 WeakPolarHBondContact OD1-CB 3.49Å; D84-A86 PolarHBondContact OD1-N 3.2Å; A86-G89 PolarHBondContact O-N 2.91Å; A86-A90 PolarHBondContact O-N 2.9Å
87V95.9Very high93.2Very high8 Ų836.7 Ų36.75%0.04823%0.231CC..Hα-helixtrans-63-45.8174.31750000111.7V83 D84 G89 A90 L91 S109 L110 A113V83-V87 HydrophobicContact CG1-CG1 4.49Å; D84-V87 HydrophobicContact CB-CB 4.18Å; D84-V87 HydrophobicContact CB-CG2 4Å; D84-V87 PolarHBondContact O-N 3.44Å; D84-V87 PolarHBondContact OD1-N 3.34Å; V87-G89 VanDerWaalsContact C-N 3.3Å; V87-G89 PolarHBondContact O-N 3.27Å; V87-A90 WeakPolarHBondContact O-CB 3.3Å; V87-A90 PolarHBondContact O-N 3.49Å; V87-A90 VanDerWaalsContact O-N 3.15Å; V87-L91 HydrophobicContact CG1-CD1 4.41Å; V87-L91 WeakPolarHBondContact O-CG 3.43Å; V87-L91 PolarHBondContact O-N 2.95Å; V87-S109 WeakPolarHBondContact CG2-OG 3.38Å; V87-L110 HydrophobicContact CG1-CB 4.37Å; V87-L110 HydrophobicContact CG1-CD1 3.89Å; V87-A113 HydrophobicContact CG1-CB 3.46Å; V87-A113 VanDerWaalsContact CG1-CB 3.46Å
88L95.4Very high93.5Very high2 Ų236.7 Ų36.71%0.0124%0.239CC..Hα-helixtrans-59.4-44.6175-176.863.7000110.8L39 C41 F48 L80 V83 D84 A90 L91 L92 L117L39-L88 HydrophobicContact CB-CD2 4.44Å; C41-L88 WeakPolarHBondContact SG-CD2 3.17Å; F48-L88 HydrophobicContact CD2-CD2 4.03Å; F48-L88 HydrophobicContact CE2-CD2 4.1Å; L80-L88 HydrophobicContact CD1-CD1 3.93Å; L80-L88 HydrophobicContact CD1-CD2 4.03Å; V83-L88 HydrophobicContact CG1-CB 3.99Å; D84-L88 PolarHBondContact O-N 3.44Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 2.89Å; L88-L92 HydrophobicContact CD1-CG 4.42Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.28Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.15Å; L88-L117 HydrophobicContact CD1-CD1 3.99Å
89G95.1Very high93.7Very high10 Ų1045.9 Ų45.910%0.10327%0.273CS..Hα-helixtrans-55.2-45.6174.100000112.4C85 A86 V87 L91 L92 D93C85-G89 PolarHBondContact O-N 2.59Å; A86-G89 PolarHBondContact O-N 2.91Å; V87-G89 VanDerWaalsContact C-N 3.3Å; V87-G89 PolarHBondContact O-N 3.27Å; G89-L91 PolarHBondContact O-N 3.4Å; G89-L92 PolarHBondContact O-N 2.92Å; G89-D93 WeakPolarHBondContact O-CB 3.42Å; G89-D93 PolarHBondContact O-N 3.41Å
90A96.8Very high94Very high26 Ų2640.4 Ų40.422%0.21525%0.252CS..Hα-helixtrans-64.2-39.5177.700000113A86 V87 L88 Y94 V100A86-A90 PolarHBondContact O-N 2.9Å; V87-A90 WeakPolarHBondContact O-CB 3.3Å; V87-A90 PolarHBondContact O-N 3.49Å; V87-A90 VanDerWaalsContact O-N 3.15Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.23Å; A90-Y94 WeakPolarHBondContact O-CB 3.49Å; A90-Y94 PolarHBondContact O-N 3.3Å; A90-V100 HydrophobicContact CB-CG2 4.41Å
91L97.3Very high94.3Very high0 Ų044.5 Ų44.50%028%0.281CS..Hα-helixtrans-66.8-38.4174.7-70.1176000111.9V87 L88 G89 Y94 V95 L110 A113 A114 L117 F119 V122V87-L91 HydrophobicContact CG1-CD1 4.41Å; V87-L91 WeakPolarHBondContact O-CG 3.43Å; V87-L91 PolarHBondContact O-N 2.95Å; L88-L91 PolarHBondContact O-N 2.89Å; G89-L91 PolarHBondContact O-N 3.4Å; L91-Y94 WeakPolarHBondContact O-CB 3.46Å; L91-Y94 PolarHBondContact O-N 3.05Å; L91-V95 WeakPolarHBondContact O-CG2 3.43Å; L91-V95 PolarHBondContact O-N 3.39Å; L91-V95 VanDerWaalsContact O-N 3.1Å; L91-L110 HydrophobicContact CD2-CD1 3.71Å; L91-L110 HydrophobicContact CG-CD1 3.96Å; L91-A113 HydrophobicContact CD1-CB 3.86Å; L91-A114 HydrophobicContact CD2-CB 4.38Å; L91-L117 HydrophobicContact CD1-CD1 3.99Å; L91-F119 HydrophobicContact CB-CD2 4.47Å; L91-F119 HydrophobicContact CB-CE2 4.18Å; L91-F119 HydrophobicContact CD1-CD2 3.99Å; L91-F119 HydrophobicContact CD1-CE2 4.16Å; L91-F119 HydrophobicContact CD2-CB 4.36Å; L91-F119 HydrophobicContact CD2-CD2 4.01Å; L91-F119 HydrophobicContact CD2-CG 4.19Å; L91-F119 HydrophobicContact CG-CD2 4.4Å; L91-V122 HydrophobicContact CD2-CB 4.26Å; L91-V122 HydrophobicContact CD2-CG1 3.87Å; L91-V122 HydrophobicContact CD2-CG2 4.2Å
92L96.1Very high94.8Very high1 Ų141.2 Ų41.21%0.00526%0.256CS..Hα-helixtrans-67.3-46.3174.9-68.5176.8000111.1L39 F48 L55 L88 G89 Y94 V95 Y96L39-L92 HydrophobicContact CD1-CD1 4.44Å; L39-L92 HydrophobicContact CD1-CD2 3.95Å; F48-L92 HydrophobicContact CB-CD1 3.48Å; F48-L92 VanDerWaalsContact CB-CD1 3.48Å; F48-L92 HydrophobicContact CD1-CD1 3.68Å; F48-L92 HydrophobicContact CD2-CD1 4.03Å; F48-L92 HydrophobicContact CE1-CD1 4.38Å; F48-L92 HydrophobicContact CG-CD1 3.46Å; F48-L92 VanDerWaalsContact CG-CD1 3.46Å; L55-L92 HydrophobicContact CD2-CD2 3.56Å; L88-L92 HydrophobicContact CD1-CG 4.42Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.28Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.15Å; G89-L92 PolarHBondContact O-N 2.92Å; L92-Y94 PolarHBondContact O-N 2.89Å; L92-V95 WeakPolarHBondContact O-CB 3.31Å; L92-V95 PolarHBondContact O-N 3.47Å; L92-Y96 WeakPolarHBondContact O-CD2 3.37Å; L92-Y96 PolarHBondContact O-N 3.32Å
93D95.5Very high95.4Very high78 Ų7840.4 Ų40.442%0.41724%0.239SC..Hα-helixtrans-56.6-39.9173.7-76.5-14.9000110.8G89 V95 Y96 T97G89-D93 WeakPolarHBondContact O-CB 3.42Å; G89-D93 PolarHBondContact O-N 3.41Å; D93-V95 VanDerWaalsContact C-N 3.34Å; D93-V95 PolarHBondContact O-N 2.85Å; D93-Y96 CarbonylContact O-C 3.55Å; D93-Y96 PolarHBondContact O-N 3Å; D93-T97 VanDerWaalsContact O-CB 3.25Å; D93-T97 WeakPolarHBondContact O-CB 3.26Å; D93-T97 VanDerWaalsContact O-CG2 3.25Å; D93-T97 WeakPolarHBondContact O-CG2 3.47Å; D93-T97 PolarHBondContact O-N 3.06Å; D93-T97 PolarHBondContact O-OG1 3.23Å
94Y97.2Very high95.5Very high24 Ų2447.1 Ų47.19%0.09427%0.269CS..Hα-helixtrans-58.7-41.1172.6168.3-101000113.2R58 A90 L91 L92 Y96 T97 A98 R99 V100 F119 V122R58-Y94 PolarHBondContact NH2-OH 2.95Å; A90-Y94 WeakPolarHBondContact O-CB 3.49Å; A90-Y94 PolarHBondContact O-N 3.3Å; L91-Y94 WeakPolarHBondContact O-CB 3.46Å; L91-Y94 PolarHBondContact O-N 3.05Å; L92-Y94 PolarHBondContact O-N 2.89Å; Y94-Y96 VanDerWaalsContact C-N 3.25Å; Y94-Y96 PolarHBondContact O-N 2.84Å; Y94-T97 PolarHBondContact O-N 3.26Å; Y94-A98 VanDerWaalsContact O-CA 3.23Å; Y94-A98 WeakPolarHBondContact O-CA 3.27Å; Y94-A98 PolarHBondContact O-N 2.97Å; Y94-R99 VanDerWaalsContact CA-O 3.3Å; Y94-R99 WeakPolarHBondContact CA-O 3.21Å; Y94-V100 HydrophobicContact CD2-CB 4.29Å; Y94-V100 HydrophobicContact CD2-CG1 4.39Å; Y94-F119 HydrophobicContact CD1-CD1 4.2Å; Y94-F119 HydrophobicContact CD1-CE1 4.47Å; Y94-F119 HydrophobicContact CE1-CD1 4.16Å; Y94-V122 HydrophobicContact CD1-CG2 3.6Å; Y94-V122 HydrophobicContact CD2-CG2 4.05Å; Y94-V122 HydrophobicContact CE1-CG2 3.57Å; Y94-V122 HydrophobicContact CE2-CG2 4.03Å; Y94-V122 HydrophobicContact CG-CG2 3.84Å
95V97.1Very high95.8Very high7 Ų748.6 Ų48.64%0.04229%0.286CS..Hα-helixtrans-59.6-37.3177172.40000111.9L54 L55 R58 L91 L92 D93 F119L54-V95 HydrophobicContact CB-CG1 3.74Å; L54-V95 HydrophobicContact CD2-CG1 4.13Å; L55-V95 HydrophobicContact CD2-CG2 4.37Å; R58-V95 HydrophobicContact CB-CG2 4Å; R58-V95 HydrophobicContact CG-CG1 4.18Å; R58-V95 HydrophobicContact CG-CG2 4.35Å; L91-V95 WeakPolarHBondContact O-CG2 3.43Å; L91-V95 PolarHBondContact O-N 3.39Å; L91-V95 VanDerWaalsContact O-N 3.1Å; L92-V95 WeakPolarHBondContact O-CB 3.31Å; L92-V95 PolarHBondContact O-N 3.47Å; D93-V95 VanDerWaalsContact C-N 3.34Å; D93-V95 PolarHBondContact O-N 2.85Å; V95-F119 HydrophobicContact CG2-CE1 3.54Å; V95-F119 HydrophobicContact CG2-CZ 3.89Å
96Y96.4Very high95.9Very high1 Ų149.4 Ų49.40%0.00429%0.289CS..Hα-helixtrans-98.2-6-177.1-62.5-80.9000114.6L22 L25 Y29 H51 L54 L92 D93 Y94L22-Y96 WeakPolarHBondContact CD1-O 3.44Å; L22-Y96 WeakPolarHBondContact CG-O 3.47Å; L25-Y96 HydrophobicContact CB-CD1 4.37Å; Y29-Y96 AromaticContact CD1-CD2 3.55Å; Y29-Y96 HydrophobicContact CD1-CD2 3.55Å; Y29-Y96 AromaticContact CD1-CE2 3.93Å; Y29-Y96 HydrophobicContact CD1-CE2 3.93Å; Y29-Y96 AromaticContact CD1-CG 3.98Å; Y29-Y96 HydrophobicContact CD1-CG 3.98Å; Y29-Y96 AromaticContact CD2-CD2 3.93Å; Y29-Y96 HydrophobicContact CD2-CD2 3.93Å; Y29-Y96 HydrophobicContact CD2-CE1 4.45Å; Y29-Y96 AromaticContact CD2-CE2 3.39Å; Y29-Y96 HydrophobicContact CD2-CE2 3.39Å; Y29-Y96 AromaticContact CD2-CZ 3.69Å; Y29-Y96 AromaticContact CE1-CD2 3.93Å; Y29-Y96 HydrophobicContact CE1-CD2 3.93Å; Y29-Y96 HydrophobicContact CE1-CE2 4.27Å; Y29-Y96 HydrophobicContact CE2-CD2 4.29Å; Y29-Y96 AromaticContact CE2-CE2 3.78Å; Y29-Y96 HydrophobicContact CE2-CE2 3.78Å; Y29-Y96 HydrophobicContact CG-CD1 4.23Å; Y29-Y96 AromaticContact CG-CD2 3.54Å; Y29-Y96 HydrophobicContact CG-CD2 3.54Å; Y29-Y96 HydrophobicContact CG-CE1 4.13Å; Y29-Y96 AromaticContact CG-CE2 3.47Å; Y29-Y96 HydrophobicContact CG-CE2 3.47Å; Y29-Y96 VanDerWaalsContact CG-CE2 3.47Å; Y29-Y96 AromaticContact CG-CG 3.96Å; Y29-Y96 HydrophobicContact CG-CG 3.96Å; Y29-Y96 AromaticContact CG-CZ 3.78Å; H51-Y96 PolarHBondContact N-OH 3.29Å; H51-Y96 AromaticContact ND1-CE1 3.49Å; H51-Y96 WeakPolarHBondContact ND1-CE1 3.48Å; H51-Y96 AromaticContact ND1-CZ 3.64Å; H51-Y96 PolarHBondContact ND1-OH 2.83Å; L54-Y96 HydrophobicContact CB-CE1 4.47Å; L54-Y96 HydrophobicContact CD1-CE1 4.48Å; L54-Y96 HydrophobicContact CD2-CD1 3.57Å; L54-Y96 HydrophobicContact CD2-CE1 3.46Å; L54-Y96 VanDerWaalsContact CD2-CE1 3.46Å; L54-Y96 HydrophobicContact CG-CE1 4.35Å; L92-Y96 WeakPolarHBondContact O-CD2 3.37Å; L92-Y96 PolarHBondContact O-N 3.32Å; D93-Y96 CarbonylContact O-C 3.55Å; D93-Y96 PolarHBondContact O-N 3Å; Y94-Y96 VanDerWaalsContact C-N 3.25Å; Y94-Y96 PolarHBondContact O-N 2.84Å
97T94.9Very high96.1Very high32 Ų3246.1 Ų46.120%0.19626%0.261CS..Hα-helixtrans-127.3-12.2-177.566.30000113.9R26 D93 Y94 R99R26-T97 HydrophobicContact CG-CG2 4.44Å; D93-T97 VanDerWaalsContact O-CB 3.25Å; D93-T97 WeakPolarHBondContact O-CB 3.26Å; D93-T97 VanDerWaalsContact O-CG2 3.25Å; D93-T97 WeakPolarHBondContact O-CG2 3.47Å; D93-T97 PolarHBondContact O-N 3.06Å; D93-T97 PolarHBondContact O-OG1 3.23Å; Y94-T97 PolarHBondContact O-N 3.26Å; T97-R99 WeakPolarHBondContact O-CG 3.35Å; T97-R99 PolarHBondContact O-N 3.2Å; T97-R99 PolarHBondContact OG1-N 2.58Å; T97-R99 VanDerWaalsContact OG1-N 3.13Å; T97-R99 PolarHBondContact OG1-O 3.08Å
98A94.4Very high96.1Very high66 Ų6650.1 Ų50.155%0.54528%0.28SS..SBendtrans57.216.2-16700000114.3L22 Y94L22-A98 HydrophobicContact CD2-CB 4.14Å; Y94-A98 VanDerWaalsContact O-CA 3.23Å; Y94-A98 WeakPolarHBondContact O-CA 3.27Å; Y94-A98 PolarHBondContact O-N 2.97Å
99R95Very high96.2Very high200 Ų20052.1 Ų52.176%0.75529%0.294SS*.  trans-127.7139.4-175.7-64175.271.9-179.62.2110.7Y94 T97Y94-R99 VanDerWaalsContact CA-O 3.3Å; Y94-R99 WeakPolarHBondContact CA-O 3.21Å; T97-R99 WeakPolarHBondContact O-CG 3.35Å; T97-R99 PolarHBondContact O-N 3.2Å; T97-R99 PolarHBondContact OG1-N 2.58Å; T97-R99 VanDerWaalsContact OG1-N 3.13Å; T97-R99 PolarHBondContact OG1-O 3.08Å
100V96.4Very high96.3Very high40 Ų4051.7 Ų51.724%0.24229%0.289CS..  trans-137.4140172.664.20000108.1A90 Y94 V102 L110 V122A90-V100 HydrophobicContact CB-CG2 4.41Å; Y94-V100 HydrophobicContact CD2-CB 4.29Å; Y94-V100 HydrophobicContact CD2-CG1 4.39Å; V100-V102 HydrophobicContact CG1-CG2 4.27Å; V100-L110 HydrophobicContact CG2-CD1 4.32Å; V100-L110 HydrophobicContact CG2-CD2 3.79Å; V100-V122 HydrophobicContact CG1-CG1 4.25Å; V100-V122 HydrophobicContact CG1-CG2 4.39Å
101C95.8Very high96.4Very high96 Ų9650.4 Ų50.465%0.64928%0.279SS*.  trans-95.3114.1175.4-167.10000108.5N106C101-N106 PolarHBondContact O-ND2 3.25Å
102V97.1Very high96.4Very high30 Ų3054.6 Ų54.618%0.18230%0.298CS..  trans-98.3129.5176.1-1720000108.4V100 V107 L110 F129V100-V102 HydrophobicContact CG1-CG2 4.27Å; V102-V107 HydrophobicContact CG1-CB 3.76Å; V102-V107 HydrophobicContact CG1-CG2 3.65Å; V102-L110 HydrophobicContact CG2-CD2 3.99Å; V102-F129 HydrophobicContact CB-CD2 4.22Å; V102-F129 HydrophobicContact CB-CG 4.46Å; V102-F129 HydrophobicContact CG1-CB 3.92Å; V102-F129 HydrophobicContact CG1-CD1 3.99Å; V102-F129 HydrophobicContact CG1-CD2 3.89Å; V102-F129 HydrophobicContact CG1-CE1 4.48Å; V102-F129 HydrophobicContact CG1-CE2 4.41Å; V102-F129 HydrophobicContact CG1-CG 3.66Å
103T96.5Very high96.4Very high48 Ų4854.8 Ų54.829%0.29430%0.3SS..  trans-133.7158.7-179.463.30000109.5S105 N106 V107T103-S105 PolarHBondContact O-N 2.97Å; T103-S105 VanDerWaalsContact O-N 3.16Å; T103-S105 PolarHBondContact OG1-OG 2.98Å; T103-N106 PolarHBondContact N-OD1 3.18Å; T103-N106 PolarHBondContact O-N 2.96Å; T103-N106 PolarHBondContact O-OD1 2.73Å; T103-N106 VanDerWaalsContact O-OD1 3.07Å; T103-N106 PolarHBondContact OG1-N 3.03Å; T103-N106 PolarHBondContact OG1-OD1 2.86Å; T103-V107 WeakPolarHBondContact O-CB 3.37Å; T103-V107 PolarHBondContact O-N 3.3Å
104E94.8Very high96.5Very high148 Ų14851 Ų5169%0.69228%0.28SS*.THydrogen-bonded Turntrans-53.6-36.3175-71169.9-146.900112.5F129 L133E104-F129 HydrophobicContact CG-CE1 4.06Å; E104-F129 HydrophobicContact CG-CZ 4.12Å; E104-L133 HydrophobicContact CG-CD1 3.63Å
105S96.2Very high96.5Very high112 Ų11252.2 Ų52.278%0.78329%0.288SS*.THydrogen-bonded Turntrans-75.6-19-179.957.40000115.4T103T103-S105 PolarHBondContact O-N 2.97Å; T103-S105 VanDerWaalsContact O-N 3.16Å; T103-S105 PolarHBondContact OG1-OG 2.98Å
106N96.6Very high96.4Very high35 Ų3556 Ų5619%0.18731%0.307CS..THydrogen-bonded Turntrans-118.4-13.9-175.381.22.1000113.9C101 T103 Q108 S109 L110C101-N106 PolarHBondContact O-ND2 3.25Å; T103-N106 PolarHBondContact N-OD1 3.18Å; T103-N106 PolarHBondContact O-N 2.96Å; T103-N106 PolarHBondContact O-OD1 2.73Å; T103-N106 VanDerWaalsContact O-OD1 3.07Å; T103-N106 PolarHBondContact OG1-N 3.03Å; T103-N106 PolarHBondContact OG1-OD1 2.86Å; N106-Q108 VanDerWaalsContact C-N 3.33Å; N106-Q108 PolarHBondContact O-N 3.35Å; N106-S109 PolarHBondContact O-N 2.88Å; N106-S109 PolarHBondContact O-OG 3.29Å; N106-L110 WeakPolarHBondContact O-CB 3.12Å; N106-L110 PolarHBondContact O-N 3.21Å
107V97.3Very high96.4Very high4 Ų456 Ų562%0.02431%0.307CS..Hα-helixtrans-61.7-38.9-166.560.50000113V102 T103 L111 C126 F129 L130V102-V107 HydrophobicContact CG1-CB 3.76Å; V102-V107 HydrophobicContact CG1-CG2 3.65Å; T103-V107 WeakPolarHBondContact O-CB 3.37Å; T103-V107 PolarHBondContact O-N 3.3Å; V107-L111 VanDerWaalsContact O-CB 3.25Å; V107-L111 WeakPolarHBondContact O-CB 3.4Å; V107-L111 PolarHBondContact O-N 2.93Å; V107-C126 HydrophobicContact CG2-CB 3.8Å; V107-F129 HydrophobicContact CB-CD1 4.01Å; V107-F129 HydrophobicContact CB-CE1 4.33Å; V107-F129 HydrophobicContact CG1-CD1 4.16Å; V107-F129 HydrophobicContact CG1-CE1 4.26Å; V107-F129 HydrophobicContact CG2-CB 4.28Å; V107-F129 HydrophobicContact CG2-CD1 3.82Å; V107-F129 HydrophobicContact CG2-CG 4.37Å; V107-L130 HydrophobicContact CB-CD2 4.47Å; V107-L130 HydrophobicContact CG1-CD2 3.63Å; V107-L130 HydrophobicContact CG1-CG 4.38Å; V107-L130 HydrophobicContact CG2-CD1 4.28Å; V107-L130 HydrophobicContact CG2-CD2 3.98Å; V107-L130 HydrophobicContact CG2-CG 3.77Å
108Q96.4Very high96.5Very high93 Ų9358.6 Ų58.644%0.43532%0.317SS..Hα-helixtrans-67.1-55.6179.9-71.2178.6-22.800111.3N106 L110 L111 E112 F145N106-Q108 VanDerWaalsContact C-N 3.33Å; N106-Q108 PolarHBondContact O-N 3.35Å; Q108-L110 VanDerWaalsContact C-N 3.28Å; Q108-L110 PolarHBondContact O-N 3.06Å; Q108-L111 PolarHBondContact O-N 3.3Å; Q108-L111 VanDerWaalsContact O-N 3.09Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.43Å; Q108-F145 HydrophobicContact CB-CE2 4.39Å; Q108-F145 HydrophobicContact CB-CZ 4.09Å; Q108-F145 HydrophobicContact CG-CZ 4.25Å
109S96.8Very high96.6Very high43 Ų4355.6 Ų55.630%0.30129%0.292SS..Hα-helixtrans-64.3-32.8178.757.70000112.6V87 N106 A113V87-S109 WeakPolarHBondContact CG2-OG 3.38Å; N106-S109 PolarHBondContact O-N 2.88Å; N106-S109 PolarHBondContact O-OG 3.29Å; S109-A113 VanDerWaalsContact O-CB 3.31Å; S109-A113 WeakPolarHBondContact O-CB 3.26Å; S109-A113 PolarHBondContact O-N 3.49Å
110L97.9Very high96.6Very high1 Ų149.4 Ų49.41%0.00528%0.28CS..Hα-helixtrans-67.3-41.2172.6-177.562.6000112V87 L91 V100 V102 N106 Q108 A114 V122V87-L110 HydrophobicContact CG1-CB 4.37Å; V87-L110 HydrophobicContact CG1-CD1 3.89Å; L91-L110 HydrophobicContact CD2-CD1 3.71Å; L91-L110 HydrophobicContact CG-CD1 3.96Å; V100-L110 HydrophobicContact CG2-CD1 4.32Å; V100-L110 HydrophobicContact CG2-CD2 3.79Å; V102-L110 HydrophobicContact CG2-CD2 3.99Å; N106-L110 WeakPolarHBondContact O-CB 3.12Å; N106-L110 PolarHBondContact O-N 3.21Å; Q108-L110 VanDerWaalsContact C-N 3.28Å; Q108-L110 PolarHBondContact O-N 3.06Å; L110-A114 WeakPolarHBondContact O-CB 3.05Å; L110-A114 PolarHBondContact O-N 3.41Å; L110-V122 HydrophobicContact CD1-CG1 4.06Å; L110-V122 HydrophobicContact CD2-CG1 4.21Å; L110-V122 HydrophobicContact CG-CG1 3.99Å
111L98Very high96.6Very high0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-65.3-47.7176-170.7150.4000110.6V107 Q108 A113 A114 D115 K123 C126 L130 F145 H149V107-L111 VanDerWaalsContact O-CB 3.25Å; V107-L111 WeakPolarHBondContact O-CB 3.4Å; V107-L111 PolarHBondContact O-N 2.93Å; Q108-L111 PolarHBondContact O-N 3.3Å; Q108-L111 VanDerWaalsContact O-N 3.09Å; L111-A113 PolarHBondContact O-N 2.85Å; L111-A114 PolarHBondContact O-N 3.28Å; L111-D115 WeakPolarHBondContact O-CB 3.42Å; L111-D115 PolarHBondContact O-N 3.43Å; L111-K123 HydrophobicContact CG-CG 4.29Å; L111-C126 HydrophobicContact CB-CB 3.78Å; L111-C126 HydrophobicContact CD1-CB 3.77Å; L111-C126 HydrophobicContact CG-CB 4.09Å; L111-L130 HydrophobicContact CD1-CD1 3.94Å; L111-F145 HydrophobicContact CB-CE1 4.33Å; L111-F145 HydrophobicContact CB-CZ 4.34Å; L111-F145 HydrophobicContact CD1-CE1 4.09Å; L111-F145 HydrophobicContact CD2-CE1 3.78Å; L111-F145 HydrophobicContact CD2-CZ 3.99Å; L111-F145 HydrophobicContact CG-CE1 4.27Å; L111-H149 HydrophobicContact CD2-CB 3.64Å
112E97Very high96.7Very high87 Ų8751 Ų5141%0.40727%0.267SS..Hα-helixtrans-53.9-50.8175.9-76170.5-159.100111.5Q108 D115 L116 F145 H149Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.43Å; E112-D115 PolarHBondContact O-N 2.81Å; E112-L116 WeakPolarHBondContact O-CB 3.16Å; E112-L116 PolarHBondContact O-N 2.87Å; E112-F145 HydrophobicContact CG-CE2 4.03Å; E112-F145 HydrophobicContact CG-CZ 4.12Å; E112-H149 WeakPolarHBondContact CG-NE2 3.48Å
113A96.8Very high96.7Very high5 Ų551 Ų514%0.04127%0.265CS..Hα-helixtrans-67.1-38.9178.800000112.3V83 V87 L91 S109 L111 D115 L117V83-A113 HydrophobicContact CG1-CB 3.77Å; V83-A113 HydrophobicContact CG2-CB 4.4Å; V87-A113 HydrophobicContact CG1-CB 3.46Å; V87-A113 VanDerWaalsContact CG1-CB 3.46Å; L91-A113 HydrophobicContact CD1-CB 3.86Å; S109-A113 VanDerWaalsContact O-CB 3.31Å; S109-A113 WeakPolarHBondContact O-CB 3.26Å; S109-A113 PolarHBondContact O-N 3.49Å; L111-A113 PolarHBondContact O-N 2.85Å; A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.85Å; A113-L117 VanDerWaalsContact O-CB 3.26Å; A113-L117 WeakPolarHBondContact O-CB 3.43Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.01Å
114A97.6Very high96.7Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-66.5-33.3176.200000111.9L91 L110 L111 Q118 F119 V122 K123L91-A114 HydrophobicContact CD2-CB 4.38Å; L110-A114 WeakPolarHBondContact O-CB 3.05Å; L110-A114 PolarHBondContact O-N 3.41Å; L111-A114 PolarHBondContact O-N 3.28Å; A114-Q118 CarbonylContact O-C 3.5Å; A114-Q118 VanDerWaalsContact O-CA 3.27Å; A114-Q118 WeakPolarHBondContact O-CA 3.5Å; A114-Q118 PolarHBondContact O-N 3.32Å; A114-F119 HydrophobicContact CB-CB 4.08Å; A114-F119 PolarHBondContact O-N 2.83Å; A114-V122 HydrophobicContact CB-CB 4.05Å; A114-V122 HydrophobicContact CB-CG1 3.99Å; A114-K123 HydrophobicContact CB-CB 4.16Å
115D96.8Very high96.8Very high48 Ų4847.4 Ų47.426%0.25725%0.251SS..Hα-helixtrans-70.6-52.8174.2-171.846.5000110.9L111 E112 A113 L117 Q118 K123 H149L111-D115 WeakPolarHBondContact O-CB 3.42Å; L111-D115 PolarHBondContact O-N 3.43Å; E112-D115 PolarHBondContact O-N 2.81Å; A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.85Å; D115-L117 PolarHBondContact O-N 2.85Å; D115-Q118 PolarHBondContact O-N 3.41Å; D115-K123 HydrophobicContact CB-CD 4.14Å; D115-K123 WeakPolarHBondContact OD1-CE 3.32Å; D115-K123 IonicContact OD1-NZ 3.52Å; D115-K123 PolarHBondContact OD1-NZ 3.32Å; D115-H149 IonicContact OD2-ND1 3.75Å; D115-H149 PolarHBondContact OD2-ND1 2.86Å
116L95.3Very high96.9Very high87 Ų8742 Ų4246%0.45521%0.214SC..Hα-helixtrans-55.4-47.6177.8179.265.8000112.3V83 E112 Q118V83-L116 HydrophobicContact CG2-CD2 3.73Å; E112-L116 WeakPolarHBondContact O-CB 3.16Å; E112-L116 PolarHBondContact O-N 2.87Å; L116-Q118 VanDerWaalsContact C-N 3.3Å
117L95.9Very high96.9Very high1 Ų140.9 Ų40.91%0.00521%0.208CC..THydrogen-bonded Turntrans-907.3-179.7-57.4177.3000112.6S59 Y61 F62 L80 V83 L88 L91 A113 D115 F119S59-L117 WeakPolarHBondContact CB-O 3.13Å; S59-L117 PolarHBondContact OG-O 3.39Å; Y61-L117 WeakPolarHBondContact CB-O 3.35Å; Y61-L117 HydrophobicContact CD1-CD2 3.74Å; Y61-L117 HydrophobicContact CE1-CD2 3.68Å; Y61-L117 HydrophobicContact CG-CD2 4.4Å; F62-L117 HydrophobicContact CZ-CD1 4.44Å; F62-L117 HydrophobicContact CZ-CD2 4.16Å; L80-L117 HydrophobicContact CD2-CD2 4.27Å; V83-L117 HydrophobicContact CG2-CD1 4.47Å; L88-L117 HydrophobicContact CD1-CD1 3.99Å; L91-L117 HydrophobicContact CD1-CD1 3.99Å; A113-L117 VanDerWaalsContact O-CB 3.26Å; A113-L117 WeakPolarHBondContact O-CB 3.43Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.01Å; D115-L117 PolarHBondContact O-N 2.85Å; L117-F119 VanDerWaalsContact C-N 3.35Å; L117-F119 HydrophobicContact CB-CD2 3.76Å; L117-F119 HydrophobicContact CB-CE2 3.79Å; L117-F119 HydrophobicContact CD1-CE2 4.29Å; L117-F119 PolarHBondContact O-N 3.38Å
118Q96.7Very high96.8Very high86 Ų8643.5 Ų43.540%0.40222%0.22SC..THydrogen-bonded Turntrans53.341.7175.8-55.7-177.3-14.600115.2S60 Y61 A114 D115 L116 S120S60-Q118 VanDerWaalsContact CB-OE1 3.28Å; S60-Q118 WeakPolarHBondContact OG-CB 3.44Å; S60-Q118 PolarHBondContact OG-OE1 3.18Å; Y61-Q118 VanDerWaalsContact N-OE1 3.14Å; A114-Q118 CarbonylContact O-C 3.5Å; A114-Q118 VanDerWaalsContact O-CA 3.27Å; A114-Q118 WeakPolarHBondContact O-CA 3.5Å; A114-Q118 PolarHBondContact O-N 3.32Å; D115-Q118 PolarHBondContact O-N 3.41Å; L116-Q118 VanDerWaalsContact C-N 3.3Å; Q118-S120 VanDerWaalsContact C-N 3.33Å; Q118-S120 PolarHBondContact O-N 2.87Å
119F97.4Very high96.8Very high3 Ų340.8 Ų40.81%0.01321%0.206CC..  trans-82.971.9165.7-72.5-79.8000110.8R58 F62 L91 Y94 V95 A114 L117 R121 V122 K123R58-F119 HydrophobicContact CB-CE1 4.07Å; F62-F119 HydrophobicContact CD2-CZ 4.42Å; F62-F119 HydrophobicContact CE2-CE2 4.13Å; F62-F119 HydrophobicContact CE2-CZ 4.19Å; L91-F119 HydrophobicContact CB-CD2 4.47Å; L91-F119 HydrophobicContact CB-CE2 4.18Å; L91-F119 HydrophobicContact CD1-CD2 3.99Å; L91-F119 HydrophobicContact CD1-CE2 4.16Å; L91-F119 HydrophobicContact CD2-CB 4.36Å; L91-F119 HydrophobicContact CD2-CD2 4.01Å; L91-F119 HydrophobicContact CD2-CG 4.19Å; L91-F119 HydrophobicContact CG-CD2 4.4Å; Y94-F119 HydrophobicContact CD1-CD1 4.2Å; Y94-F119 HydrophobicContact CD1-CE1 4.47Å; Y94-F119 HydrophobicContact CE1-CD1 4.16Å; V95-F119 HydrophobicContact CG2-CE1 3.54Å; V95-F119 HydrophobicContact CG2-CZ 3.89Å; A114-F119 HydrophobicContact CB-CB 4.08Å; A114-F119 PolarHBondContact O-N 2.83Å; L117-F119 VanDerWaalsContact C-N 3.35Å; L117-F119 HydrophobicContact CB-CD2 3.76Å; L117-F119 HydrophobicContact CB-CE2 3.79Å; L117-F119 HydrophobicContact CD1-CE2 4.29Å; L117-F119 PolarHBondContact O-N 3.38Å; F119-R121 VanDerWaalsContact C-N 3.25Å; F119-R121 PolarHBondContact O-N 3.07Å; F119-R121 VanDerWaalsContact O-N 3.08Å; F119-V122 HydrophobicContact CB-CB 4.08Å; F119-V122 HydrophobicContact CB-CG2 4.15Å; F119-V122 PolarHBondContact O-N 3.38Å; F119-K123 PolarHBondContact O-N 2.91Å
120S95.7Very high96.8Very high71 Ų7139 Ų3950%0.49719%0.193SC..Hα-helixtrans-55.5-34.8-170.5-43.30000114.5Q118 Q124Q118-S120 VanDerWaalsContact C-N 3.33Å; Q118-S120 PolarHBondContact O-N 2.87Å; S120-Q124 WeakPolarHBondContact O-CB 3.2Å; S120-Q124 VanDerWaalsContact O-CG 3.26Å; S120-Q124 WeakPolarHBondContact O-CG 3.46Å; S120-Q124 PolarHBondContact O-N 3.42Å
121R96.3Very high96.7Very high167 Ų16740.9 Ų40.963%0.6320%0.203SC*.Hα-helixtrans-72.3-33.2178.5-65.8-60.7-171.6156.42.4113F119 A125F119-R121 VanDerWaalsContact C-N 3.25Å; F119-R121 PolarHBondContact O-N 3.07Å; F119-R121 VanDerWaalsContact O-N 3.08Å; R121-A125 PolarHBondContact O-N 2.99Å
122V97.4Very high96.5Very high1 Ų143.6 Ų43.61%0.00621%0.213CC..Hα-helixtrans-73.2-43.6174.41790000109.4L91 Y94 V100 L110 A114 F119 Q124 A125 C126L91-V122 HydrophobicContact CD2-CB 4.26Å; L91-V122 HydrophobicContact CD2-CG1 3.87Å; L91-V122 HydrophobicContact CD2-CG2 4.2Å; Y94-V122 HydrophobicContact CD1-CG2 3.6Å; Y94-V122 HydrophobicContact CD2-CG2 4.05Å; Y94-V122 HydrophobicContact CE1-CG2 3.57Å; Y94-V122 HydrophobicContact CE2-CG2 4.03Å; Y94-V122 HydrophobicContact CG-CG2 3.84Å; V100-V122 HydrophobicContact CG1-CG1 4.25Å; V100-V122 HydrophobicContact CG1-CG2 4.39Å; L110-V122 HydrophobicContact CD1-CG1 4.06Å; L110-V122 HydrophobicContact CD2-CG1 4.21Å; L110-V122 HydrophobicContact CG-CG1 3.99Å; A114-V122 HydrophobicContact CB-CB 4.05Å; A114-V122 HydrophobicContact CB-CG1 3.99Å; F119-V122 HydrophobicContact CB-CB 4.08Å; F119-V122 HydrophobicContact CB-CG2 4.15Å; F119-V122 PolarHBondContact O-N 3.38Å; V122-Q124 VanDerWaalsContact C-N 3.33Å; V122-Q124 PolarHBondContact O-N 2.9Å; V122-A125 WeakPolarHBondContact O-CB 3.35Å; V122-A125 PolarHBondContact O-N 3.14Å; V122-C126 PolarHBondContact O-N 3.27Å; V122-C126 PolarHBondContact O-SG 3.46Å
123K97.5Very high96.4Very high32 Ų3242.4 Ų42.414%0.13921%0.21CC..Hα-helixtrans-53.1-49.1172.9-177.2-178.3177.9179.60111.8L111 A114 D115 F119 A125 C126 E127 H149 Q150 C151L111-K123 HydrophobicContact CG-CG 4.29Å; A114-K123 HydrophobicContact CB-CB 4.16Å; D115-K123 HydrophobicContact CB-CD 4.14Å; D115-K123 WeakPolarHBondContact OD1-CE 3.32Å; D115-K123 IonicContact OD1-NZ 3.52Å; D115-K123 PolarHBondContact OD1-NZ 3.32Å; F119-K123 PolarHBondContact O-N 2.91Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.69Å; K123-C126 PolarHBondContact O-N 2.8Å; K123-E127 WeakPolarHBondContact O-CB 3.24Å; K123-E127 PolarHBondContact O-N 3.05Å; K123-H149 WeakPolarHBondContact CE-O 3.47Å; K123-H149 PolarHBondContact NZ-O 3.5Å; K123-Q150 PolarHBondContact NZ-O 3.29Å; K123-C151 WeakPolarHBondContact CE-SG 3.29Å
124Q96.3Very high96.2Very high81 Ų8143.4 Ų43.438%0.37921%0.214SC..Hα-helixtrans-59.5-40.5175.7-76.3172-5.600112.9S120 V122 E127 E128S120-Q124 WeakPolarHBondContact O-CB 3.2Å; S120-Q124 VanDerWaalsContact O-CG 3.26Å; S120-Q124 WeakPolarHBondContact O-CG 3.46Å; S120-Q124 PolarHBondContact O-N 3.42Å; V122-Q124 VanDerWaalsContact C-N 3.33Å; V122-Q124 PolarHBondContact O-N 2.9Å; Q124-E127 WeakPolarHBondContact O-CB 3.02Å; Q124-E127 PolarHBondContact O-N 3.47Å; Q124-E128 WeakPolarHBondContact O-CG 3.26Å; Q124-E128 PolarHBondContact O-N 2.79Å
125A96.7Very high95.9Very high38 Ų3845.6 Ų45.631%0.31423%0.226SC..Hα-helixtrans-67.6-39.2177.900000112.1R121 V122 K123 F129R121-A125 PolarHBondContact O-N 2.99Å; V122-A125 WeakPolarHBondContact O-CB 3.35Å; V122-A125 PolarHBondContact O-N 3.14Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 2.69Å; A125-F129 WeakPolarHBondContact O-CB 3.25Å; A125-F129 PolarHBondContact O-N 3.24Å
126C97.9Very high95.7Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-65.3-40.9172.8-67.40000111.8V107 L111 V122 K123 F129 L130V107-C126 HydrophobicContact CG2-CB 3.8Å; L111-C126 HydrophobicContact CB-CB 3.78Å; L111-C126 HydrophobicContact CD1-CB 3.77Å; L111-C126 HydrophobicContact CG-CB 4.09Å; V122-C126 PolarHBondContact O-N 3.27Å; V122-C126 PolarHBondContact O-SG 3.46Å; K123-C126 PolarHBondContact O-N 2.8Å; C126-F129 WeakPolarHBondContact O-CB 3.4Å; C126-F129 PolarHBondContact O-N 2.89Å; C126-L130 WeakPolarHBondContact O-CG 3.43Å; C126-L130 PolarHBondContact O-N 2.87Å
127E96.9Very high95.6Very high11 Ų1144 Ų445%0.05122%0.218CC..Hα-helixtrans-58.1-49.3175.5-168.8-176.7-16400111.1K123 Q124 F129 L130 I131 C151 R153 L154K123-E127 WeakPolarHBondContact O-CB 3.24Å; K123-E127 PolarHBondContact O-N 3.05Å; Q124-E127 WeakPolarHBondContact O-CB 3.02Å; Q124-E127 PolarHBondContact O-N 3.47Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 2.81Å; E127-L130 PolarHBondContact O-N 2.83Å; E127-I131 HydrophobicContact CG-CD1 4.27Å; E127-I131 VanDerWaalsContact O-CG1 3.31Å; E127-I131 WeakPolarHBondContact O-CG1 3.44Å; E127-I131 PolarHBondContact O-N 3.13Å; E127-C151 HydrophobicContact CG-CB 4.18Å; E127-C151 VanDerWaalsContact OE1-C 3.27Å; E127-R153 WeakPolarHBondContact OE1-CA 3.48Å; E127-R153 WeakPolarHBondContact OE1-CB 3.42Å; E127-R153 PolarHBondContact OE1-N 3.25Å; E127-L154 HydrophobicContact CG-CB 3.6Å; E127-L154 PolarHBondContact OE1-N 2.93Å
128E95.4Very high95.4Very high59 Ų5945.8 Ų45.828%0.27623%0.227SC..Hα-helixtrans-61.6-40.5176.5-70.6179.1173.400111.6Q124 I131 R132 R153 L395Q124-E128 WeakPolarHBondContact O-CG 3.26Å; Q124-E128 PolarHBondContact O-N 2.79Å; E128-I131 PolarHBondContact O-N 3.26Å; E128-R132 PolarHBondContact O-N 2.9Å; E128-R132 VanDerWaalsContact O-N 3.07Å; E128-R153 IonicContact OE1-CZ 2.69Å; E128-R153 IonicContact OE1-NH1 2.89Å; E128-R153 PolarHBondContact OE1-NH1 3.02Å; E128-R153 IonicContact OE1-NH2 3.51Å; E128-L395 VanDerWaalsContact C-CD2 3.47Å; E128-L395 HydrophobicContact CB-CD2 3.54Å; E128-L395 WeakPolarHBondContact O-CD2 3.46Å
129F96.8Very high95.3Very high35 Ų3541.7 Ų41.715%0.15421%0.208CC..Hα-helixtrans-61.1-44.1176.7-171.8-84.9000112.3V102 E104 V107 A125 C126 E127 R132 L133 L395V102-F129 HydrophobicContact CB-CD2 4.22Å; V102-F129 HydrophobicContact CB-CG 4.46Å; V102-F129 HydrophobicContact CG1-CB 3.92Å; V102-F129 HydrophobicContact CG1-CD1 3.99Å; V102-F129 HydrophobicContact CG1-CD2 3.89Å; V102-F129 HydrophobicContact CG1-CE1 4.48Å; V102-F129 HydrophobicContact CG1-CE2 4.41Å; V102-F129 HydrophobicContact CG1-CG 3.66Å; E104-F129 HydrophobicContact CG-CE1 4.06Å; E104-F129 HydrophobicContact CG-CZ 4.12Å; V107-F129 HydrophobicContact CB-CD1 4.01Å; V107-F129 HydrophobicContact CB-CE1 4.33Å; V107-F129 HydrophobicContact CG1-CD1 4.16Å; V107-F129 HydrophobicContact CG1-CE1 4.26Å; V107-F129 HydrophobicContact CG2-CB 4.28Å; V107-F129 HydrophobicContact CG2-CD1 3.82Å; V107-F129 HydrophobicContact CG2-CG 4.37Å; A125-F129 WeakPolarHBondContact O-CB 3.25Å; A125-F129 PolarHBondContact O-N 3.24Å; C126-F129 WeakPolarHBondContact O-CB 3.4Å; C126-F129 PolarHBondContact O-N 2.89Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 2.81Å; F129-R132 WeakPolarHBondContact O-CB 3.26Å; F129-R132 PolarHBondContact O-N 3.09Å; F129-L133 HydrophobicContact CD1-CD1 3.87Å; F129-L133 HydrophobicContact CE1-CD1 3.34Å; F129-L133 HydrophobicContact CE1-CG 4.35Å; F129-L133 HydrophobicContact CZ-CD1 4.03Å; F129-L133 PolarHBondContact O-N 3.03Å; F129-L395 HydrophobicContact CB-CD1 4.32Å; F129-L395 HydrophobicContact CD2-CD1 3.83Å; F129-L395 HydrophobicContact CG-CD1 4.37Å
130L96.9Very high95Very high6 Ų641.7 Ų41.73%0.03121%0.208CC..Hα-helixtrans-65.7-41.4176.1-70.2172.5000111.6V107 L111 C126 E127 R132 L133 L134 M142 F145 L154V107-L130 HydrophobicContact CB-CD2 4.47Å; V107-L130 HydrophobicContact CG1-CD2 3.63Å; V107-L130 HydrophobicContact CG1-CG 4.38Å; V107-L130 HydrophobicContact CG2-CD1 4.28Å; V107-L130 HydrophobicContact CG2-CD2 3.98Å; V107-L130 HydrophobicContact CG2-CG 3.77Å; L111-L130 HydrophobicContact CD1-CD1 3.94Å; C126-L130 WeakPolarHBondContact O-CG 3.43Å; C126-L130 PolarHBondContact O-N 2.87Å; E127-L130 PolarHBondContact O-N 2.83Å; L130-R132 VanDerWaalsContact C-N 3.25Å; L130-R132 PolarHBondContact O-N 3.33Å; L130-L133 CarbonylContact O-C 3.56Å; L130-L133 PolarHBondContact O-N 3.44Å; L130-L134 PolarHBondContact O-N 3.07Å; L130-L134 VanDerWaalsContact O-N 3.11Å; L130-M142 HydrophobicContact CD1-SD 4.4Å; L130-M142 HydrophobicContact CD2-CE 4.21Å; L130-M142 HydrophobicContact CD2-SD 3.89Å; L130-F145 HydrophobicContact CD1-CD1 4.2Å; L130-F145 HydrophobicContact CD1-CE1 3.92Å; L130-L154 HydrophobicContact CB-CD1 3.77Å; L130-L154 HydrophobicContact CB-CD2 3.94Å; L130-L154 HydrophobicContact CD1-CD2 3.66Å; L130-L154 HydrophobicContact CG-CD2 4.46Å
131I95.6Very high94.8Very high40 Ų4039.5 Ų39.521%0.20520%0.197CC..Hα-helixtrans-57.7-39.5175.8-70166.9000111.4E127 E128 L133 L134 R153 L154 E157E127-I131 HydrophobicContact CG-CD1 4.27Å; E127-I131 VanDerWaalsContact O-CG1 3.31Å; E127-I131 WeakPolarHBondContact O-CG1 3.44Å; E127-I131 PolarHBondContact O-N 3.13Å; E128-I131 PolarHBondContact O-N 3.26Å; I131-L133 PolarHBondContact O-N 3.01Å; I131-L134 HydrophobicContact CB-CD1 4.45Å; I131-L134 HydrophobicContact CG1-CD1 4.39Å; I131-L134 PolarHBondContact O-N 3.46Å; I131-R153 HydrophobicContact CD1-CB 4.03Å; I131-L154 HydrophobicContact CD1-CB 4.49Å; I131-L154 HydrophobicContact CG1-CB 4.2Å; I131-L154 HydrophobicContact CG1-CD1 3.72Å; I131-E157 HydrophobicContact CD1-CG 4.14Å; I131-E157 HydrophobicContact CG1-CB 4.26Å; I131-E157 HydrophobicContact CG1-CG 4.23Å; I131-E157 HydrophobicContact CG2-CB 4.25Å; I131-E157 HydrophobicContact CG2-CG 3.99Å
132R94.2Very high94.7Very high57 Ų5732.7 Ų32.722%0.21517%0.172CC..Hα-helixtrans-62.2-30.7177.2177.7-177.6175.883.72.4112.8E128 F129 L130 C373 D393 L395E128-R132 PolarHBondContact O-N 2.9Å; E128-R132 VanDerWaalsContact O-N 3.07Å; F129-R132 WeakPolarHBondContact O-CB 3.26Å; F129-R132 PolarHBondContact O-N 3.09Å; L130-R132 VanDerWaalsContact C-N 3.25Å; L130-R132 PolarHBondContact O-N 3.33Å; R132-C373 PolarHBondContact NH1-SG 2.64Å; R132-C373 PolarHBondContact NH2-SG 2.82Å; R132-D393 VanDerWaalsContact CZ-CG 3.49Å; R132-D393 IonicContact CZ-OD1 2.7Å; R132-D393 IonicContact CZ-OD2 3.7Å; R132-D393 IonicContact NH1-OD1 3.47Å; R132-D393 PolarHBondContact NH1-OD1 3.49Å; R132-D393 IonicContact NH1-OD2 2.64Å; R132-D393 IonicContact NH2-OD2 2.91Å; R132-D393 PolarHBondContact NH2-OD2 3.5Å; R132-L395 HydrophobicContact CB-CD1 3.92Å; R132-L395 HydrophobicContact CB-CG 4.22Å; R132-L395 HydrophobicContact CG-CD1 4.18Å
133L93.8Very high94.5Very high63 Ų6332.8 Ų32.833%0.3317%0.173SC..THydrogen-bonded Turntrans-98.32.9-176.4-61.7179.5000113.3E104 F129 L130 I131 D135 N138E104-L133 HydrophobicContact CG-CD1 3.63Å; F129-L133 HydrophobicContact CD1-CD1 3.87Å; F129-L133 HydrophobicContact CE1-CD1 3.34Å; F129-L133 HydrophobicContact CE1-CG 4.35Å; F129-L133 HydrophobicContact CZ-CD1 4.03Å; F129-L133 PolarHBondContact O-N 3.03Å; L130-L133 CarbonylContact O-C 3.56Å; L130-L133 PolarHBondContact O-N 3.44Å; I131-L133 PolarHBondContact O-N 3.01Å; L133-D135 PolarHBondContact O-N 2.9Å; L133-N138 PolarHBondContact O-ND2 3.28Å
134L93.5Very high94.2Very high25 Ų2534.7 Ų34.713%0.13119%0.187CC..  trans-61.4127.2177.5-81.2173.5000110.7L130 I131 N138 M142 L154 E157 A158 V161L130-L134 PolarHBondContact O-N 3.07Å; L130-L134 VanDerWaalsContact O-N 3.11Å; I131-L134 HydrophobicContact CB-CD1 4.45Å; I131-L134 HydrophobicContact CG1-CD1 4.39Å; I131-L134 PolarHBondContact O-N 3.46Å; L134-N138 WeakPolarHBondContact CA-OD1 3.46Å; L134-M142 HydrophobicContact CD2-CB 3.63Å; L134-M142 HydrophobicContact CD2-CG 3.89Å; L134-L154 HydrophobicContact CD1-CD1 4.05Å; L134-L154 HydrophobicContact CD2-CD1 4.2Å; L134-L154 HydrophobicContact CG-CD1 4.19Å; L134-E157 HydrophobicContact CD1-CB 3.63Å; L134-A158 HydrophobicContact CD1-CB 4.36Å; L134-A158 HydrophobicContact CD2-CB 3.94Å; L134-V161 HydrophobicContact CB-CG2 4.33Å
135D91.9Very high94.2Very high47 Ų4731.9 Ų31.925%0.25117%0.174SC..  trans-142.6175.8170-150.8-59.8000108.9L133 D137 N138 C139 R165L133-D135 PolarHBondContact O-N 2.9Å; D135-D137 WeakPolarHBondContact CB-OD1 3.4Å; D135-D137 PolarHBondContact O-N 3.07Å; D135-N138 PolarHBondContact N-OD1 3.06Å; D135-N138 VanDerWaalsContact N-OD1 3.1Å; D135-N138 PolarHBondContact O-N 2.81Å; D135-N138 PolarHBondContact O-OD1 2.84Å; D135-C139 VanDerWaalsContact O-CB 3.27Å; D135-C139 WeakPolarHBondContact O-CB 3.46Å; D135-C139 PolarHBondContact O-N 3.18Å; D135-R165 IonicContact OD1-CZ 3.18Å; D135-R165 IonicContact OD1-NH1 2.61Å; D135-R165 PolarHBondContact OD1-NH1 3.16Å; D135-R165 IonicContact OD1-NH2 3.14Å; D135-R165 PolarHBondContact OD1-NH2 2.93Å; D135-R165 IonicContact OD2-NH1 3.63Å
136V91.4Very high94.1Very high3 Ų330.1 Ų30.12%0.01816%0.159CC..THydrogen-bonded Turntrans-63.1-30.4-179.6170.10000112.1N138 V161 R165 E168 L169 Q172V136-N138 VanDerWaalsContact C-N 3.28Å; V136-N138 PolarHBondContact O-N 3.34Å; V136-V161 HydrophobicContact CG2-CG1 4.12Å; V136-R165 HydrophobicContact CG2-CB 3.43Å; V136-R165 VanDerWaalsContact CG2-CB 3.43Å; V136-R165 HydrophobicContact CG2-CG 4.15Å; V136-R165 VanDerWaalsContact CG2-NE 3.33Å; V136-E168 HydrophobicContact CG1-CB 3.89Å; V136-E168 HydrophobicContact CG2-CB 4.29Å; V136-L169 HydrophobicContact CG1-CB 4.07Å; V136-L169 HydrophobicContact CG1-CD1 4.22Å; V136-L169 WeakPolarHBondContact O-CD1 3.39Å; V136-Q172 HydrophobicContact CG1-CG 3.9Å
137D92.4Very high93.9Very high99 Ų9933.9 Ų33.953%0.52918%0.177SC..THydrogen-bonded Turntrans-74.9-15.4-178.873.6-27.1000113.9D135D135-D137 WeakPolarHBondContact CB-OD1 3.4Å; D135-D137 PolarHBondContact O-N 3.07Å
138N93.1Very high93.8Very high37 Ų3739.5 Ų39.520%0.19821%0.206CC..THydrogen-bonded Turntrans-129.4-5.3-176.269.442.2000114.6L133 L134 D135 V136 L140 G141 M142L133-N138 PolarHBondContact O-ND2 3.28Å; L134-N138 WeakPolarHBondContact CA-OD1 3.46Å; D135-N138 PolarHBondContact N-OD1 3.06Å; D135-N138 VanDerWaalsContact N-OD1 3.1Å; D135-N138 PolarHBondContact O-N 2.81Å; D135-N138 PolarHBondContact O-OD1 2.84Å; V136-N138 VanDerWaalsContact C-N 3.28Å; V136-N138 PolarHBondContact O-N 3.34Å; N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 3.43Å; N138-G141 PolarHBondContact O-N 2.96Å; N138-M142 WeakPolarHBondContact O-CB 3.43Å; N138-M142 VanDerWaalsContact O-CG 3.27Å; N138-M142 WeakPolarHBondContact O-CG 3.41Å; N138-M142 PolarHBondContact O-N 3.4Å
139C93.5Very high93.8Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-64.2-30.1-172.1620000113.8D135 H143 V161 M162D135-C139 VanDerWaalsContact O-CB 3.27Å; D135-C139 WeakPolarHBondContact O-CB 3.46Å; D135-C139 PolarHBondContact O-N 3.18Å; C139-H143 VanDerWaalsContact O-CB 3.29Å; C139-H143 WeakPolarHBondContact O-CB 3.22Å; C139-H143 PolarHBondContact O-N 3.29Å; C139-V161 HydrophobicContact CB-CB 4.12Å; C139-V161 HydrophobicContact CB-CG1 3.93Å; C139-M162 HydrophobicContact CB-CG 4.04Å; C139-M162 VanDerWaalsContact SG-CG 3.51Å
140L91.7Very high93.7Very high3 Ų343.6 Ų43.62%0.01623%0.226CC..Hα-helixtrans-70.5-48.5179-69.6169.5000111.4N138 M142 H143 T144 M162 L169 E174 F175 L178N138-L140 VanDerWaalsContact C-N 3.29Å; N138-L140 PolarHBondContact O-N 3.43Å; L140-M142 VanDerWaalsContact C-N 3.33Å; L140-M142 PolarHBondContact O-N 3.22Å; L140-H143 PolarHBondContact O-N 3.3Å; L140-T144 PolarHBondContact O-N 3.48Å; L140-T144 PolarHBondContact O-OG1 3.41Å; L140-T144 VanDerWaalsContact O-OG1 3.06Å; L140-M162 HydrophobicContact CD2-CE 3.69Å; L140-M162 HydrophobicContact CD2-CG 4.32Å; L140-M162 HydrophobicContact CD2-SD 4.1Å; L140-L169 HydrophobicContact CD1-CD1 3.79Å; L140-L169 HydrophobicContact CD1-CG 4.39Å; L140-L169 HydrophobicContact CD2-CD2 4.19Å; L140-L169 HydrophobicContact CG-CD1 3.91Å; L140-L169 HydrophobicContact CG-CD2 4.36Å; L140-E174 HydrophobicContact CB-CG 4.11Å; L140-E174 HydrophobicContact CD1-CB 4.29Å; L140-E174 HydrophobicContact CD1-CG 4.15Å; L140-F175 HydrophobicContact CD1-CB 4.2Å; L140-L178 HydrophobicContact CD1-CD1 3.93Å; L140-L178 HydrophobicContact CD1-CD2 4.23Å; L140-L178 HydrophobicContact CD1-CG 4.22Å; L140-L178 HydrophobicContact CD2-CD1 3.89Å; L140-L178 HydrophobicContact CD2-CD2 4.22Å
141G91.8Very high93.7Very high25 Ų2543.4 Ų43.426%0.25823%0.225SC..Hα-helixtrans-59.3-44.9173.900000111.5N138 H143 T144 F145 E174N138-G141 PolarHBondContact O-N 2.96Å; G141-H143 PolarHBondContact O-N 2.92Å; G141-T144 PolarHBondContact O-N 2.77Å; G141-F145 WeakPolarHBondContact O-CB 3.35Å; G141-F145 PolarHBondContact O-N 2.78Å; G141-E174 WeakPolarHBondContact CA-OE1 3.38Å; G141-E174 PolarHBondContact N-OE1 3.24Å; G141-E174 PolarHBondContact N-OE2 3.27Å
142M94.6Very high93.5Very high24 Ų2445.5 Ų45.512%0.11824%0.241CC..Hα-helixtrans-66.8-35.7178.2-65.4-55.415600113.2L130 L134 N138 L140 A146 L154 A158L130-M142 HydrophobicContact CD1-SD 4.4Å; L130-M142 HydrophobicContact CD2-CE 4.21Å; L130-M142 HydrophobicContact CD2-SD 3.89Å; L134-M142 HydrophobicContact CD2-CB 3.63Å; L134-M142 HydrophobicContact CD2-CG 3.89Å; N138-M142 WeakPolarHBondContact O-CB 3.43Å; N138-M142 VanDerWaalsContact O-CG 3.27Å; N138-M142 WeakPolarHBondContact O-CG 3.41Å; N138-M142 PolarHBondContact O-N 3.4Å; L140-M142 VanDerWaalsContact C-N 3.33Å; L140-M142 PolarHBondContact O-N 3.22Å; M142-A146 WeakPolarHBondContact O-CB 3.34Å; M142-A146 PolarHBondContact O-N 3.23Å; M142-L154 HydrophobicContact CB-CD1 4.49Å; M142-A158 HydrophobicContact CB-CB 4.44Å
143H93Very high93.5Very high4 Ų447.8 Ų47.82%0.01925%0.25CC..Hα-helixtrans-62.5-49173.4-175.2-66000111.1C139 L140 G141 F145 A146 E147 A158 M162 K182C139-H143 VanDerWaalsContact O-CB 3.29Å; C139-H143 WeakPolarHBondContact O-CB 3.22Å; C139-H143 PolarHBondContact O-N 3.29Å; L140-H143 PolarHBondContact O-N 3.3Å; G141-H143 PolarHBondContact O-N 2.92Å; H143-F145 VanDerWaalsContact C-N 3.35Å; H143-F145 PolarHBondContact O-N 3.04Å; H143-A146 PolarHBondContact O-N 2.68Å; H143-E147 IonicContact CE1-OE1 3.54Å; H143-E147 PolarHBondContact CE1-OE1 2.85Å; H143-E147 IonicContact CE1-OE2 3.27Å; H143-E147 PolarHBondContact CE1-OE2 2.81Å; H143-E147 VanDerWaalsContact ND1-CD 3.26Å; H143-E147 IonicContact ND1-OE1 2.95Å; H143-E147 IonicContact ND1-OE2 3.32Å; H143-E147 PolarHBondContact ND1-OE2 3.18Å; H143-E147 WeakPolarHBondContact O-CG 3.36Å; H143-E147 PolarHBondContact O-N 3.45Å; H143-A158 HydrophobicContact CB-CB 3.95Å; H143-M162 HydrophobicContact CB-SD 3.9Å; H143-K182 PolarHBondContact CE1-NZ 2.86Å; H143-K182 VanDerWaalsContact CE1-NZ 3.29Å; H143-K182 PolarHBondContact ND1-NZ 3.37Å; H143-K182 VanDerWaalsContact ND1-NZ 3.2Å
144T91.4Very high93.6Very high71 Ų7144.8 Ų44.844%0.43623%0.234SC..Hα-helixtrans-64.3-41.9179.8-54.40000111.4L140 G141 A146 E147 L148L140-T144 PolarHBondContact O-N 3.48Å; L140-T144 PolarHBondContact O-OG1 3.41Å; L140-T144 VanDerWaalsContact O-OG1 3.06Å; G141-T144 PolarHBondContact O-N 2.77Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.7Å; T144-E147 PolarHBondContact O-N 2.91Å; T144-L148 PolarHBondContact O-N 2.97Å
145F94.7Very high93.6Very high23 Ų2346.1 Ų46.110%0.10124%0.24CC..Hα-helixtrans-62-41.1175-174.7-102.8000111.8Q108 L111 E112 L130 G141 H143 L148 H149 L154Q108-F145 HydrophobicContact CB-CE2 4.39Å; Q108-F145 HydrophobicContact CB-CZ 4.09Å; Q108-F145 HydrophobicContact CG-CZ 4.25Å; L111-F145 HydrophobicContact CB-CE1 4.33Å; L111-F145 HydrophobicContact CB-CZ 4.34Å; L111-F145 HydrophobicContact CD1-CE1 4.09Å; L111-F145 HydrophobicContact CD2-CE1 3.78Å; L111-F145 HydrophobicContact CD2-CZ 3.99Å; L111-F145 HydrophobicContact CG-CE1 4.27Å; E112-F145 HydrophobicContact CG-CE2 4.03Å; E112-F145 HydrophobicContact CG-CZ 4.12Å; L130-F145 HydrophobicContact CD1-CD1 4.2Å; L130-F145 HydrophobicContact CD1-CE1 3.92Å; G141-F145 WeakPolarHBondContact O-CB 3.35Å; G141-F145 PolarHBondContact O-N 2.78Å; H143-F145 VanDerWaalsContact C-N 3.35Å; H143-F145 PolarHBondContact O-N 3.04Å; F145-L148 PolarHBondContact O-N 2.88Å; F145-H149 AromaticContact CD2-CD2 3.72Å; F145-H149 AromaticContact CD2-NE2 3.99Å; F145-H149 AromaticContact CE1-CD2 4Å; F145-H149 AromaticContact CE2-CD2 3.44Å; F145-H149 VanDerWaalsContact CE2-CD2 3.44Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.42Å; F145-H149 AromaticContact CE2-NE2 3.49Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.29Å; F145-H149 AromaticContact CZ-CD2 3.59Å; F145-H149 AromaticContact CZ-NE2 3.92Å; F145-H149 PolarHBondContact O-CD2 2.95Å; F145-H149 VanDerWaalsContact O-CD2 3.29Å; F145-H149 PolarHBondContact O-N 2.84Å; F145-H149 VanDerWaalsContact O-N 3.09Å; F145-L154 HydrophobicContact CD1-CD2 4.48Å
146A96.1Very high93.6Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-66.4-39.7177.100000112.8M142 H143 T144 H149 Q150 C151 L154 E155M142-A146 WeakPolarHBondContact O-CB 3.34Å; M142-A146 PolarHBondContact O-N 3.23Å; H143-A146 PolarHBondContact O-N 2.68Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 2.7Å; A146-H149 CarbonylContact O-C 3.59Å; A146-H149 PolarHBondContact O-N 2.91Å; A146-Q150 WeakPolarHBondContact O-CA 3.4Å; A146-Q150 PolarHBondContact O-N 3.4Å; A146-C151 HydrophobicContact CB-CB 4.08Å; A146-C151 PolarHBondContact O-N 2.92Å; A146-L154 HydrophobicContact CB-CB 4.01Å; A146-L154 HydrophobicContact CB-CD2 3.97Å; A146-L154 HydrophobicContact CB-CG 3.85Å; A146-E155 HydrophobicContact CB-CB 3.78Å
147E93.2Very high93.7Very high80 Ų8047.1 Ų47.137%0.37424%0.24SC..Hα-helixtrans-62.2-46.6174-74.2170129.700111.1H143 T144 H149 Q150 E155 K182H143-E147 IonicContact CE1-OE1 3.54Å; H143-E147 PolarHBondContact CE1-OE1 2.85Å; H143-E147 IonicContact CE1-OE2 3.27Å; H143-E147 PolarHBondContact CE1-OE2 2.81Å; H143-E147 VanDerWaalsContact ND1-CD 3.26Å; H143-E147 IonicContact ND1-OE1 2.95Å; H143-E147 IonicContact ND1-OE2 3.32Å; H143-E147 PolarHBondContact ND1-OE2 3.18Å; H143-E147 WeakPolarHBondContact O-CG 3.36Å; H143-E147 PolarHBondContact O-N 3.45Å; T144-E147 PolarHBondContact O-N 2.91Å; E147-H149 VanDerWaalsContact C-N 3.31Å; E147-H149 PolarHBondContact O-N 2.93Å; E147-Q150 PolarHBondContact O-N 3.41Å; E147-E155 HydrophobicContact CG-CG 4.15Å; E147-K182 VanDerWaalsContact CD-NZ 3.3Å; E147-K182 IonicContact OE1-NZ 2.74Å; E147-K182 PolarHBondContact OE1-NZ 3.34Å; E147-K182 VanDerWaalsContact OE1-NZ 3.1Å; E147-K182 IonicContact OE2-NZ 2.68Å; E147-K182 PolarHBondContact OE2-NZ 2.81Å
148L94.4Very high93.8Very high128 Ų12842.4 Ų42.467%0.6722%0.215SC*.Hα-helixtrans-58.7-43179.5-179.664000112T144 F145T144-L148 PolarHBondContact O-N 2.97Å; F145-L148 PolarHBondContact O-N 2.88Å
149H95.3Very high93.6Very high21 Ų2143.7 Ų43.710%0.09722%0.217CC..THydrogen-bonded Turntrans-968.1-177.8-68.3-63.7000114.2L111 E112 D115 K123 F145 A146 E147 C151L111-H149 HydrophobicContact CD2-CB 3.64Å; E112-H149 WeakPolarHBondContact CG-NE2 3.48Å; D115-H149 IonicContact OD2-ND1 3.75Å; D115-H149 PolarHBondContact OD2-ND1 2.86Å; K123-H149 WeakPolarHBondContact CE-O 3.47Å; K123-H149 PolarHBondContact NZ-O 3.5Å; F145-H149 AromaticContact CD2-CD2 3.72Å; F145-H149 AromaticContact CD2-NE2 3.99Å; F145-H149 AromaticContact CE1-CD2 4Å; F145-H149 AromaticContact CE2-CD2 3.44Å; F145-H149 VanDerWaalsContact CE2-CD2 3.44Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.42Å; F145-H149 AromaticContact CE2-NE2 3.49Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.29Å; F145-H149 AromaticContact CZ-CD2 3.59Å; F145-H149 AromaticContact CZ-NE2 3.92Å; F145-H149 PolarHBondContact O-CD2 2.95Å; F145-H149 VanDerWaalsContact O-CD2 3.29Å; F145-H149 PolarHBondContact O-N 2.84Å; F145-H149 VanDerWaalsContact O-N 3.09Å; A146-H149 CarbonylContact O-C 3.59Å; A146-H149 PolarHBondContact O-N 2.91Å; E147-H149 VanDerWaalsContact C-N 3.31Å; E147-H149 PolarHBondContact O-N 2.93Å; H149-C151 PolarHBondContact O-N 2.64Å
150Q95Very high93.4Very high160 Ų16044.3 Ų44.375%0.74822%0.22SC*.THydrogen-bonded Turntrans51.154.2-178.8-55.2176.312.500112.3K123 A146 E147 P152K123-Q150 PolarHBondContact NZ-O 3.29Å; A146-Q150 WeakPolarHBondContact O-CA 3.4Å; A146-Q150 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 3.41Å; Q150-P152 WeakPolarHBondContact O-CD 3.33Å
151C96.2Very high93.4Very high1 Ų145.4 Ų45.41%0.00723%0.227CC..  trans-106.380.3176.6-66.40000109.6K123 E127 A146 H149 R153 L154 E155K123-C151 WeakPolarHBondContact CE-SG 3.29Å; E127-C151 HydrophobicContact CG-CB 4.18Å; E127-C151 VanDerWaalsContact OE1-C 3.27Å; A146-C151 HydrophobicContact CB-CB 4.08Å; A146-C151 PolarHBondContact O-N 2.92Å; H149-C151 PolarHBondContact O-N 2.64Å; C151-R153 VanDerWaalsContact C-N 3.29Å; C151-R153 PolarHBondContact O-N 3.47Å; C151-L154 HydrophobicContact CB-CB 4.13Å; C151-L154 PolarHBondContact O-N 2.71Å; C151-E155 WeakPolarHBondContact O-CB 3.25Å; C151-E155 PolarHBondContact O-N 3.05Å
152P93.1Very high93.2Very high85 Ų8544.6 Ų44.655%0.55222%0.216SC*.Hα-helixtrans-66.7-25.7-168.626.7-36.3000113.7Q150 R156Q150-P152 WeakPolarHBondContact O-CD 3.33Å; P152-R156 WeakPolarHBondContact O-CB 3.36Å; P152-R156 PolarHBondContact O-N 3.12Å; P152-R156 VanDerWaalsContact O-N 3.13Å
153R93Very high92.6Very high105 Ų10543.6 Ų43.640%0.39621%0.211SC..Hα-helixtrans-74.5-45.8177.4-55.9169.763-165.7-1109.5E127 E128 I131 C151 R156 E157E127-R153 WeakPolarHBondContact OE1-CA 3.48Å; E127-R153 WeakPolarHBondContact OE1-CB 3.42Å; E127-R153 PolarHBondContact OE1-N 3.25Å; E128-R153 IonicContact OE1-CZ 2.69Å; E128-R153 IonicContact OE1-NH1 2.89Å; E128-R153 PolarHBondContact OE1-NH1 3.02Å; E128-R153 IonicContact OE1-NH2 3.51Å; I131-R153 HydrophobicContact CD1-CB 4.03Å; C151-R153 VanDerWaalsContact C-N 3.29Å; C151-R153 PolarHBondContact O-N 3.47Å; R153-R156 PolarHBondContact O-N 3.24Å; R153-E157 WeakPolarHBondContact O-CG 3.45Å; R153-E157 PolarHBondContact O-N 3.02Å
154L95.8Very high92.2Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-63.2-43176.7177.665.3000111.6E127 L130 I131 L134 M142 F145 A146 C151 R156 E157 A158E127-L154 HydrophobicContact CG-CB 3.6Å; E127-L154 PolarHBondContact OE1-N 2.93Å; L130-L154 HydrophobicContact CB-CD1 3.77Å; L130-L154 HydrophobicContact CB-CD2 3.94Å; L130-L154 HydrophobicContact CD1-CD2 3.66Å; L130-L154 HydrophobicContact CG-CD2 4.46Å; I131-L154 HydrophobicContact CD1-CB 4.49Å; I131-L154 HydrophobicContact CG1-CB 4.2Å; I131-L154 HydrophobicContact CG1-CD1 3.72Å; L134-L154 HydrophobicContact CD1-CD1 4.05Å; L134-L154 HydrophobicContact CD2-CD1 4.2Å; L134-L154 HydrophobicContact CG-CD1 4.19Å; M142-L154 HydrophobicContact CB-CD1 4.49Å; F145-L154 HydrophobicContact CD1-CD2 4.48Å; A146-L154 HydrophobicContact CB-CB 4.01Å; A146-L154 HydrophobicContact CB-CD2 3.97Å; A146-L154 HydrophobicContact CB-CG 3.85Å; C151-L154 HydrophobicContact CB-CB 4.13Å; C151-L154 PolarHBondContact O-N 2.71Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.27Å; L154-E157 PolarHBondContact O-N 2.95Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 3.28Å
155E94.3Very high91.9Very high52 Ų5245.3 Ų45.324%0.24322%0.215CC..Hα-helixtrans-55.7-50.8175.3-175.1-157.116100110.8A146 E147 C151 A158 R159A146-E155 HydrophobicContact CB-CB 3.78Å; E147-E155 HydrophobicContact CG-CG 4.15Å; C151-E155 WeakPolarHBondContact O-CB 3.25Å; C151-E155 PolarHBondContact O-N 3.05Å; E155-A158 PolarHBondContact O-N 3.03Å; E155-R159 WeakPolarHBondContact O-CB 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-NH2 3.78Å; E155-R159 PolarHBondContact OE1-NH2 3.41Å
156R91.6Very high91.5Very high48 Ų4844.3 Ų44.318%0.18121%0.21CC..Hα-helixtrans-64.7-43.9-177.7-175.1173.962.5174.41.4112.6P152 R153 L154 R159 R160 D348 Y349 V561P152-R156 WeakPolarHBondContact O-CB 3.36Å; P152-R156 PolarHBondContact O-N 3.12Å; P152-R156 VanDerWaalsContact O-N 3.13Å; R153-R156 PolarHBondContact O-N 3.24Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.27Å; R156-R159 PolarHBondContact O-N 3.37Å; R156-R160 PolarHBondContact O-N 3.49Å; R156-D348 IonicContact CZ-OD2 3.71Å; R156-D348 IonicContact NE-OD2 3.39Å; R156-D348 PolarHBondContact NE-OD2 3.45Å; R156-D348 IonicContact NH1-OD2 3.83Å; R156-D348 PolarHBondContact NH1-OD2 3.02Å; R156-D348 IonicContact NH2-OD2 3.4Å; R156-D348 PolarHBondContact NH2-OD2 3.23Å; R156-Y349 PolarHBondContact NH1-OH 3.19Å; R156-Y349 PolarHBondContact NH2-OH 3.09Å; R156-V561 HydrophobicContact CG-CB 3.95Å; R156-V561 HydrophobicContact CG-CG2 3.26Å
157E93.6Very high90.8Very high23 Ų2347.3 Ų47.311%0.10723%0.23CC..Hα-helixtrans-68.1-39.4176.6-65-59.8146.300111.8I131 L134 R153 L154 R160 V161 G322I131-E157 HydrophobicContact CD1-CG 4.14Å; I131-E157 HydrophobicContact CG1-CB 4.26Å; I131-E157 HydrophobicContact CG1-CG 4.23Å; I131-E157 HydrophobicContact CG2-CB 4.25Å; I131-E157 HydrophobicContact CG2-CG 3.99Å; L134-E157 HydrophobicContact CD1-CB 3.63Å; R153-E157 WeakPolarHBondContact O-CG 3.45Å; R153-E157 PolarHBondContact O-N 3.02Å; L154-E157 PolarHBondContact O-N 2.95Å; E157-R160 WeakPolarHBondContact O-CB 3.09Å; E157-R160 PolarHBondContact O-N 2.78Å; E157-R160 VanDerWaalsContact O-N 3.17Å; E157-R160 IonicContact OE1-CZ 2.78Å; E157-R160 IonicContact OE1-NH1 3.63Å; E157-R160 PolarHBondContact OE1-NH1 3.02Å; E157-R160 IonicContact OE2-CZ 2.84Å; E157-R160 IonicContact OE2-NH1 2.71Å; E157-R160 PolarHBondContact OE2-NH1 3.07Å; E157-V161 PolarHBondContact O-N 3.29Å; E157-G322 VanDerWaalsContact OE2-CA 3.31Å; E157-G322 WeakPolarHBondContact OE2-CA 3.37Å
158A94Very high90.5Very high0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-61.3-45174.300000110.8L134 M142 H143 L154 E155 R160 V161 M162L134-A158 HydrophobicContact CD1-CB 4.36Å; L134-A158 HydrophobicContact CD2-CB 3.94Å; M142-A158 HydrophobicContact CB-CB 4.44Å; H143-A158 HydrophobicContact CB-CB 3.95Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 3.28Å; E155-A158 PolarHBondContact O-N 3.03Å; A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 2.76Å; A158-V161 PolarHBondContact O-N 3.34Å; A158-M162 VanDerWaalsContact O-CG 3.28Å; A158-M162 WeakPolarHBondContact O-CG 3.41Å; A158-M162 PolarHBondContact O-N 2.88Å
159R89.6Confident90.2Very high65 Ų6541.8 Ų41.825%0.24520%0.201CC..Hα-helixtrans-59.2-42172.9-171.7-179.7-68.7-177.35.8111.7E155 R156 V161 M162 L163 V561E155-R159 WeakPolarHBondContact O-CB 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-NH2 3.78Å; E155-R159 PolarHBondContact OE1-NH2 3.41Å; R156-R159 PolarHBondContact O-N 3.37Å; R159-V161 VanDerWaalsContact C-N 3.31Å; R159-V161 PolarHBondContact O-N 3.32Å; R159-M162 WeakPolarHBondContact O-CB 3.37Å; R159-M162 PolarHBondContact O-N 2.82Å; R159-L163 HydrophobicContact CG-CD1 3.74Å; R159-L163 HydrophobicContact CG-CG 4.2Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.16Å; R159-L163 PolarHBondContact O-N 2.92Å; R159-V561 HydrophobicContact CB-CG1 4.39Å; R159-V561 HydrophobicContact CG-CG1 4.13Å
160R89.9Confident89.7Confident13 Ų1341.3 Ų41.35%0.04920%0.199CC..Hα-helixtrans-60-42177.6-172.4178.4-71.3130.9-2.9111.6R156 E157 A158 L163 S164 G322 A323 D348 H559 V561R156-R160 PolarHBondContact O-N 3.49Å; E157-R160 WeakPolarHBondContact O-CB 3.09Å; E157-R160 PolarHBondContact O-N 2.78Å; E157-R160 VanDerWaalsContact O-N 3.17Å; E157-R160 IonicContact OE1-CZ 2.78Å; E157-R160 IonicContact OE1-NH1 3.63Å; E157-R160 PolarHBondContact OE1-NH1 3.02Å; E157-R160 IonicContact OE2-CZ 2.84Å; E157-R160 IonicContact OE2-NH1 2.71Å; E157-R160 PolarHBondContact OE2-NH1 3.07Å; A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 2.76Å; R160-L163 PolarHBondContact O-N 3.21Å; R160-S164 VanDerWaalsContact O-CB 3.24Å; R160-S164 WeakPolarHBondContact O-CB 3.34Å; R160-S164 PolarHBondContact O-N 3.23Å; R160-S164 PolarHBondContact O-OG 3.46Å; R160-G322 VanDerWaalsContact NH1-C 3.27Å; R160-A323 VanDerWaalsContact NH1-CA 3.35Å; R160-D348 VanDerWaalsContact NH2-CG 3.27Å; R160-D348 IonicContact NH2-OD1 3.89Å; R160-D348 PolarHBondContact NH2-OD1 3.17Å; R160-D348 IonicContact NH2-OD2 2.66Å; R160-D348 PolarHBondContact NH2-OD2 3.46Å; R160-H559 HydrophobicContact CG-CB 3.98Å; R160-H559 PolarHBondContact NE-O 3.14Å; R160-V561 HydrophobicContact CB-CG1 4.03Å; R160-V561 HydrophobicContact CB-CG2 4.12Å
161V91.3Very high89.3Confident26 Ų2638.9 Ų38.916%0.15819%0.188CC..Hα-helixtrans-63.4-46.8174.5176.20000110.6L134 V136 C139 E157 A158 R159 L163 S164 R165L134-V161 HydrophobicContact CB-CG2 4.33Å; V136-V161 HydrophobicContact CG2-CG1 4.12Å; C139-V161 HydrophobicContact CB-CB 4.12Å; C139-V161 HydrophobicContact CB-CG1 3.93Å; E157-V161 PolarHBondContact O-N 3.29Å; A158-V161 PolarHBondContact O-N 3.34Å; R159-V161 VanDerWaalsContact C-N 3.31Å; R159-V161 PolarHBondContact O-N 3.32Å; V161-L163 VanDerWaalsContact C-N 3.28Å; V161-L163 PolarHBondContact O-N 3.46Å; V161-S164 PolarHBondContact O-N 2.98Å; V161-S164 PolarHBondContact O-OG 3.21Å; V161-R165 PolarHBondContact O-N 3.06Å
162M87.6Confident88.9Confident7 Ų741.9 Ų41.93%0.03420%0.202CC..Hα-helixtrans-54.7-42.9177.8-67.3164.256.800112.6C139 L140 H143 A158 R159 F166 L169 V186C139-M162 HydrophobicContact CB-CG 4.04Å; C139-M162 VanDerWaalsContact SG-CG 3.51Å; L140-M162 HydrophobicContact CD2-CE 3.69Å; L140-M162 HydrophobicContact CD2-CG 4.32Å; L140-M162 HydrophobicContact CD2-SD 4.1Å; H143-M162 HydrophobicContact CB-SD 3.9Å; A158-M162 VanDerWaalsContact O-CG 3.28Å; A158-M162 WeakPolarHBondContact O-CG 3.41Å; A158-M162 PolarHBondContact O-N 2.88Å; R159-M162 WeakPolarHBondContact O-CB 3.37Å; R159-M162 PolarHBondContact O-N 2.82Å; M162-F166 VanDerWaalsContact O-CA 3.28Å; M162-F166 WeakPolarHBondContact O-CA 3.33Å; M162-F166 WeakPolarHBondContact O-CB 3.46Å; M162-F166 PolarHBondContact O-N 2.84Å; M162-L169 HydrophobicContact CB-CD2 4.02Å; M162-L169 HydrophobicContact CG-CD2 4.06Å; M162-V186 HydrophobicContact CE-CG2 3.53Å
163L81.7Confident88.7Confident3 Ų345.4 Ų45.42%0.01621%0.21CC..Hα-helixtrans-80.1-37.9-176.1-63.5165000113.4R159 R160 V161 D189 S191 L192 T193 V561R159-L163 HydrophobicContact CG-CD1 3.74Å; R159-L163 HydrophobicContact CG-CG 4.2Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.16Å; R159-L163 PolarHBondContact O-N 2.92Å; R160-L163 PolarHBondContact O-N 3.21Å; V161-L163 VanDerWaalsContact C-N 3.28Å; V161-L163 PolarHBondContact O-N 3.46Å; L163-D189 HydrophobicContact CD2-CB 3.89Å; L163-S191 WeakPolarHBondContact CD1-OG 3.24Å; L163-L192 HydrophobicContact CD2-CD2 3.64Å; L163-L192 HydrophobicContact CD2-CG 4.01Å; L163-T193 WeakPolarHBondContact O-CB 3.35Å; L163-T193 PolarHBondContact O-N 2.92Å; L163-T193 VanDerWaalsContact O-N 3.14Å; L163-T193 PolarHBondContact O-OG1 3.35Å; L163-V561 HydrophobicContact CD1-CG1 3.52Å
164S84.3Confident88.4Confident36 Ų3643.2 Ų43.225%0.25221%0.205SC..Hα-helixtrans-77.3-30.2-176.259.80000113.4R160 V161 H559R160-S164 VanDerWaalsContact O-CB 3.24Å; R160-S164 WeakPolarHBondContact O-CB 3.34Å; R160-S164 PolarHBondContact O-N 3.23Å; R160-S164 PolarHBondContact O-OG 3.46Å; V161-S164 PolarHBondContact O-N 2.98Å; V161-S164 PolarHBondContact O-OG 3.21Å; S164-H559 WeakPolarHBondContact CB-ND1 2.94Å
165R85.9Confident88.1Confident76 Ų7643.4 Ų43.429%0.28721%0.206SC..THydrogen-bonded Turntrans-119.731.9-179.7-64.9176.268.9-158.5-5.2111.7D135 V136 V161 P167 E168 L169D135-R165 IonicContact OD1-CZ 3.18Å; D135-R165 IonicContact OD1-NH1 2.61Å; D135-R165 PolarHBondContact OD1-NH1 3.16Å; D135-R165 IonicContact OD1-NH2 3.14Å; D135-R165 PolarHBondContact OD1-NH2 2.93Å; D135-R165 IonicContact OD2-NH1 3.63Å; V136-R165 HydrophobicContact CG2-CB 3.43Å; V136-R165 VanDerWaalsContact CG2-CB 3.43Å; V136-R165 HydrophobicContact CG2-CG 4.15Å; V136-R165 VanDerWaalsContact CG2-NE 3.33Å; V161-R165 PolarHBondContact O-N 3.06Å; R165-P167 VanDerWaalsContact C-CD 3.45Å; R165-E168 IonicContact CZ-OE1 3.06Å; R165-E168 IonicContact CZ-OE2 2.99Å; R165-E168 IonicContact NE-OE1 3.78Å; R165-E168 PolarHBondContact NE-OE1 2.86Å; R165-E168 IonicContact NE-OE2 3.55Å; R165-E168 PolarHBondContact NE-OE2 3.42Å; R165-E168 IonicContact NH2-OE1 3.28Å; R165-E168 IonicContact NH2-OE2 3.73Å; R165-E168 PolarHBondContact NH2-OE2 3.42Å; R165-E168 WeakPolarHBondContact O-CB 3.08Å; R165-E168 PolarHBondContact O-N 3.35Å; R165-L169 PolarHBondContact O-N 3.23Å; R165-L169 VanDerWaalsContact O-N 3.07Å
166F84.6Confident87.8Confident1 Ų142 Ų420%0.00420%0.2CC..Hα-helixtrans-53.7-41-177.2-169.6-106.3000114.5M162 E168 L169 M170 F175 V186 L187 L192 V194 L200M162-F166 VanDerWaalsContact O-CA 3.28Å; M162-F166 WeakPolarHBondContact O-CA 3.33Å; M162-F166 WeakPolarHBondContact O-CB 3.46Å; M162-F166 PolarHBondContact O-N 2.84Å; F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.02Å; F166-L169 HydrophobicContact CD2-CD2 4.16Å; F166-L169 HydrophobicContact CE2-CD2 4.46Å; F166-L169 WeakPolarHBondContact O-CB 3.42Å; F166-L169 PolarHBondContact O-N 2.78Å; F166-L169 VanDerWaalsContact O-N 3.09Å; F166-M170 HydrophobicContact CD1-CG 4.07Å; F166-M170 HydrophobicContact CD1-SD 3.55Å; F166-M170 VanDerWaalsContact CD1-SD 3.55Å; F166-M170 HydrophobicContact CE1-CG 3.68Å; F166-M170 HydrophobicContact CE1-SD 3.31Å; F166-M170 WeakPolarHBondContact CE1-SD 3.28Å; F166-M170 HydrophobicContact CE2-CG 4.43Å; F166-M170 HydrophobicContact CZ-CG 3.89Å; F166-M170 HydrophobicContact CZ-SD 4.13Å; F166-M170 WeakPolarHBondContact O-CG 3.38Å; F166-M170 PolarHBondContact O-N 3.3Å; F166-F175 HydrophobicContact CE2-CE2 4.22Å; F166-F175 HydrophobicContact CZ-CE2 4.26Å; F166-V186 HydrophobicContact CD2-CG1 4.17Å; F166-V186 HydrophobicContact CE2-CG1 3.49Å; F166-V186 VanDerWaalsContact CE2-CG1 3.49Å; F166-V186 HydrophobicContact CZ-CG1 4.28Å; F166-L187 HydrophobicContact CE1-CD2 4.28Å; F166-L187 HydrophobicContact CZ-CD2 3.83Å; F166-L192 HydrophobicContact CB-CD2 4.09Å; F166-L192 HydrophobicContact CD1-CD2 4.06Å; F166-L192 HydrophobicContact CD2-CD2 3.52Å; F166-L192 HydrophobicContact CE1-CD2 4.39Å; F166-L192 HydrophobicContact CE2-CD2 3.91Å; F166-L192 HydrophobicContact CG-CD2 3.6Å; F166-L192 HydrophobicContact CZ-CD2 4.32Å; F166-V194 HydrophobicContact CD1-CG1 3.64Å; F166-V194 HydrophobicContact CE1-CG1 4.32Å; F166-L200 HydrophobicContact CD1-CD2 4.2Å; F166-L200 HydrophobicContact CE1-CD2 3.67Å
167P82.1Confident87.6Confident63 Ų6346.9 Ų46.941%0.40923%0.225SC..Hα-helixtrans-60.4-36.7176.5-25.136.2000113.4R165 T193R165-P167 VanDerWaalsContact C-CD 3.45Å; P167-T193 WeakPolarHBondContact CD-O 3.16Å
168E86.3Confident87.3Confident91 Ų9146.7 Ų46.743%0.42522%0.224SC..Hα-helixtrans-73.3-31.2176.2-60.3176.9-110.600111.6V136 R165 F166 E171 Q172V136-E168 HydrophobicContact CG1-CB 3.89Å; V136-E168 HydrophobicContact CG2-CB 4.29Å; R165-E168 IonicContact CZ-OE1 3.06Å; R165-E168 IonicContact CZ-OE2 2.99Å; R165-E168 IonicContact NE-OE1 3.78Å; R165-E168 PolarHBondContact NE-OE1 2.86Å; R165-E168 IonicContact NE-OE2 3.55Å; R165-E168 PolarHBondContact NE-OE2 3.42Å; R165-E168 IonicContact NH2-OE1 3.28Å; R165-E168 IonicContact NH2-OE2 3.73Å; R165-E168 PolarHBondContact NH2-OE2 3.42Å; R165-E168 WeakPolarHBondContact O-CB 3.08Å; R165-E168 PolarHBondContact O-N 3.35Å; F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.02Å; E168-E171 PolarHBondContact O-N 2.81Å; E168-Q172 PolarHBondContact O-NE2 2.9Å
169L88.6Confident86.9Confident1 Ų151.4 Ų51.41%0.00525%0.249CC..Hα-helixtrans-67.3-39.5178.3-177.862.6000112.4V136 L140 M162 R165 F166 E171 Q172 F175V136-L169 HydrophobicContact CG1-CB 4.07Å; V136-L169 HydrophobicContact CG1-CD1 4.22Å; V136-L169 WeakPolarHBondContact O-CD1 3.39Å; L140-L169 HydrophobicContact CD1-CD1 3.79Å; L140-L169 HydrophobicContact CD1-CG 4.39Å; L140-L169 HydrophobicContact CD2-CD2 4.19Å; L140-L169 HydrophobicContact CG-CD1 3.91Å; L140-L169 HydrophobicContact CG-CD2 4.36Å; M162-L169 HydrophobicContact CB-CD2 4.02Å; M162-L169 HydrophobicContact CG-CD2 4.06Å; R165-L169 PolarHBondContact O-N 3.23Å; R165-L169 VanDerWaalsContact O-N 3.07Å; F166-L169 HydrophobicContact CD2-CD2 4.16Å; F166-L169 HydrophobicContact CE2-CD2 4.46Å; F166-L169 WeakPolarHBondContact O-CB 3.42Å; F166-L169 PolarHBondContact O-N 2.78Å; F166-L169 VanDerWaalsContact O-N 3.09Å; L169-E171 PolarHBondContact O-N 2.73Å; L169-Q172 HydrophobicContact CD1-CG 4.34Å; L169-Q172 WeakPolarHBondContact O-CB 3.49Å; L169-Q172 WeakPolarHBondContact O-CG 3.17Å; L169-Q172 PolarHBondContact O-N 2.81Å; L169-F175 HydrophobicContact CG-CD2 4.39Å; L169-F175 WeakPolarHBondContact O-CB 3.42Å
170M85.2Confident86.7Confident12 Ų1249.7 Ų49.76%0.05925%0.247CC..THydrogen-bonded Turntrans-62.1-23179.6-69161.462.800113.4F166 F175 A199 R206F166-M170 HydrophobicContact CD1-CG 4.07Å; F166-M170 HydrophobicContact CD1-SD 3.55Å; F166-M170 VanDerWaalsContact CD1-SD 3.55Å; F166-M170 HydrophobicContact CE1-CG 3.68Å; F166-M170 HydrophobicContact CE1-SD 3.31Å; F166-M170 WeakPolarHBondContact CE1-SD 3.28Å; F166-M170 HydrophobicContact CE2-CG 4.43Å; F166-M170 HydrophobicContact CZ-CG 3.89Å; F166-M170 HydrophobicContact CZ-SD 4.13Å; F166-M170 WeakPolarHBondContact O-CG 3.38Å; F166-M170 PolarHBondContact O-N 3.3Å; M170-F175 HydrophobicContact CG-CZ 4.28Å; M170-A199 WeakPolarHBondContact CE-O 3.38Å; M170-R206 WeakPolarHBondContact O-CD 3.47Å; M170-R206 PolarHBondContact O-NE 3.14Å
171E85.8Confident86.5Confident109 Ų10955.1 Ų55.151%0.50927%0.273SS..THydrogen-bonded Turntrans-80.6-17176.8-67.2-56.9143.200113.2E168 L169 R206E168-E171 PolarHBondContact O-N 2.81Å; L169-E171 PolarHBondContact O-N 2.73Å; E171-R206 PolarHBondContact O-NH2 2.79Å; E171-R206 VanDerWaalsContact O-NH2 3.1Å; E171-R206 IonicContact OE1-NH1 3.38Å; E171-R206 IonicContact OE2-CZ 3.58Å; E171-R206 IonicContact OE2-NH1 2.7Å; E171-R206 PolarHBondContact OE2-NH1 3Å; E171-R206 IonicContact OE2-NH2 2.84Å; E171-R206 PolarHBondContact OE2-NH2 3.48Å; E171-R206 VanDerWaalsContact OE2-NH2 3.14Å
172Q89.5Confident86.1Confident64 Ų6455.3 Ų55.330%0.29927%0.272SS..SBendtrans-71.7149.9-177.4-56.6-54-46.300112.8V136 E168 L169 F175V136-Q172 HydrophobicContact CG1-CG 3.9Å; E168-Q172 PolarHBondContact O-NE2 2.9Å; L169-Q172 HydrophobicContact CD1-CG 4.34Å; L169-Q172 WeakPolarHBondContact O-CB 3.49Å; L169-Q172 WeakPolarHBondContact O-CG 3.17Å; L169-Q172 PolarHBondContact O-N 2.81Å; Q172-F175 WeakPolarHBondContact O-CB 3.38Å; Q172-F175 PolarHBondContact O-N 2.59Å
173E87.3Confident85.9Confident158 Ų15855 Ų5574%0.73827%0.27SS*.Hα-helixtrans-67.8-39.1176.6-66.3-171.4165.700112F175 L176E173-F175 PolarHBondContact O-N 2.81Å; E173-L176 WeakPolarHBondContact O-CA 3.19Å; E173-L176 WeakPolarHBondContact O-CB 3.18Å; E173-L176 PolarHBondContact O-N 2.86Å
174E87.7Confident85.9Confident60 Ų6058.4 Ų58.428%0.2828%0.283SS..Hα-helixtrans-59.2-31.2179-168.8178.1-158.400112.1L140 G141 L176 E177L140-E174 HydrophobicContact CB-CG 4.11Å; L140-E174 HydrophobicContact CD1-CB 4.29Å; L140-E174 HydrophobicContact CD1-CG 4.15Å; G141-E174 WeakPolarHBondContact CA-OE1 3.38Å; G141-E174 PolarHBondContact N-OE1 3.24Å; G141-E174 PolarHBondContact N-OE2 3.27Å; E174-L176 VanDerWaalsContact C-N 3.25Å; E174-L176 PolarHBondContact O-N 3.46Å; E174-E177 PolarHBondContact O-N 2.95Å; E174-E177 VanDerWaalsContact O-N 3.12Å
175F88.9Confident85.7Confident4 Ų459.7 Ų59.72%0.01829%0.292CS..Hα-helixtrans-61-35.3173.8-179-97.5000112.1L140 F166 L169 M170 Q172 E173 E177 L178 I183 W207L140-F175 HydrophobicContact CD1-CB 4.2Å; F166-F175 HydrophobicContact CE2-CE2 4.22Å; F166-F175 HydrophobicContact CZ-CE2 4.26Å; L169-F175 HydrophobicContact CG-CD2 4.39Å; L169-F175 WeakPolarHBondContact O-CB 3.42Å; M170-F175 HydrophobicContact CG-CZ 4.28Å; Q172-F175 WeakPolarHBondContact O-CB 3.38Å; Q172-F175 PolarHBondContact O-N 2.59Å; E173-F175 PolarHBondContact O-N 2.81Å; F175-E177 PolarHBondContact O-N 3.1Å; F175-L178 HydrophobicContact CD2-CD1 3.93Å; F175-L178 HydrophobicContact CE2-CD1 4.36Å; F175-L178 PolarHBondContact O-N 2.87Å; F175-I183 HydrophobicContact CZ-CD1 4.46Å; F175-W207 HydrophobicContact CE1-CB 4.07Å; F175-W207 VanDerWaalsContact O-CD1 3.32Å
176L87.4Confident85.3Confident22 Ų2256.6 Ų56.612%0.11528%0.281CS..Hα-helixtrans-71.9-19.6178.6-55.2-179.7000112.7E173 E174 R206 H210 R215E173-L176 WeakPolarHBondContact O-CA 3.19Å; E173-L176 WeakPolarHBondContact O-CB 3.18Å; E173-L176 PolarHBondContact O-N 2.86Å; E174-L176 VanDerWaalsContact C-N 3.25Å; E174-L176 PolarHBondContact O-N 3.46Å; L176-R206 HydrophobicContact CD2-CG 3.98Å; L176-H210 HydrophobicContact CB-CB 4.38Å; L176-H210 HydrophobicContact CD2-CB 4.49Å; L176-R215 VanDerWaalsContact O-CZ 3.24Å; L176-R215 PolarHBondContact O-NH1 2.91Å; L176-R215 PolarHBondContact O-NH2 2.97Å
177E88Confident85Confident151 Ų15157 Ų5771%0.70628%0.284SS*.Hα-helixtrans-88.3-12.4-179.1-59.7-167.7161.700113.3E174 F175E174-E177 PolarHBondContact O-N 2.95Å; E174-E177 VanDerWaalsContact O-N 3.12Å; F175-E177 PolarHBondContact O-N 3.1Å
178L87.1Confident84.4Confident19 Ų1956.3 Ų56.310%0.09928%0.283CS..  trans-60.4148.4178.3-62.2178.2000112.6L140 F175 K182 I183 W207L140-L178 HydrophobicContact CD1-CD1 3.93Å; L140-L178 HydrophobicContact CD1-CD2 4.23Å; L140-L178 HydrophobicContact CD1-CG 4.22Å; L140-L178 HydrophobicContact CD2-CD1 3.89Å; L140-L178 HydrophobicContact CD2-CD2 4.22Å; F175-L178 HydrophobicContact CD2-CD1 3.93Å; F175-L178 HydrophobicContact CE2-CD1 4.36Å; F175-L178 PolarHBondContact O-N 2.87Å; L178-K182 HydrophobicContact CD2-CG 4.09Å; L178-I183 HydrophobicContact CB-CD1 3.78Å; L178-I183 HydrophobicContact CB-CG1 3.74Å; L178-I183 HydrophobicContact CD1-CD1 4.33Å; L178-I183 HydrophobicContact CD1-CG1 3.77Å; L178-I183 HydrophobicContact CG-CG1 4.43Å; L178-W207 VanDerWaalsContact O-CZ2 3.27Å; L178-W207 WeakPolarHBondContact O-CZ2 3.49Å; L178-W207 PolarHBondContact O-NE1 3.32Å
179D87.1Confident83.7Confident98 Ų9854.2 Ų54.252%0.52428%0.275SS..  trans-80.6167.4173.969.934.7000112.9E181 K182 I183D179-E181 PolarHBondContact O-N 3.4Å; D179-E181 PolarHBondContact OD1-N 3.45Å; D179-K182 PolarHBondContact O-N 3.32Å; D179-K182 WeakPolarHBondContact OD1-CB 3.44Å; D179-K182 PolarHBondContact OD1-N 2.95Å; D179-I183 PolarHBondContact O-N 3.38Å; D179-I183 VanDerWaalsContact O-N 3.16Å
180C85.4Confident82.5Confident29 Ų2958.9 Ų58.920%0.19630%0.297CS..Hα-helixtrans-59.4-33.5-178.5-67.10000112.9R184 W207 C218C180-R184 VanDerWaalsContact O-CB 3.25Å; C180-R184 WeakPolarHBondContact O-CB 3.34Å; C180-R184 PolarHBondContact O-N 3.28Å; C180-R184 VanDerWaalsContact O-N 3.08Å; C180-W207 HydrophobicContact CB-CH2 4.21Å; C180-W207 VanDerWaalsContact SG-CH2 3.54Å; C180-C218 HydrophobicContact CB-CB 3.95Å; C180-C218 WeakPolarHBondContact CB-SG 3.11Å; C180-C218 WeakPolarHBondContact SG-CB 3.33Å; C180-C218 CovalentContact SG-SG 2.06Å; C180-C218 PolarHBondContact SG-SG 2.8Å
181E84.5Confident81.5Confident128 Ų12859 Ų5960%0.59830%0.299SS*.Hα-helixtrans-75.8-42.8-175.9-71.8-64.214900110.8D179 R184 S185D179-E181 PolarHBondContact O-N 3.4Å; D179-E181 PolarHBondContact OD1-N 3.45Å; E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 3.03Å; E181-S185 PolarHBondContact O-N 2.83Å
182K82.3Confident80.7Confident30 Ų3054.9 Ų54.913%0.1328%0.28CS..Hα-helixtrans-65.3-44.7178.7-163.460.5160.4-173.40110.7H143 E147 L178 D179 R184 S185 V186H143-K182 PolarHBondContact CE1-NZ 2.86Å; H143-K182 VanDerWaalsContact CE1-NZ 3.29Å; H143-K182 PolarHBondContact ND1-NZ 3.37Å; H143-K182 VanDerWaalsContact ND1-NZ 3.2Å; E147-K182 VanDerWaalsContact CD-NZ 3.3Å; E147-K182 IonicContact OE1-NZ 2.74Å; E147-K182 PolarHBondContact OE1-NZ 3.34Å; E147-K182 VanDerWaalsContact OE1-NZ 3.1Å; E147-K182 IonicContact OE2-NZ 2.68Å; E147-K182 PolarHBondContact OE2-NZ 2.81Å; L178-K182 HydrophobicContact CD2-CG 4.09Å; D179-K182 PolarHBondContact O-N 3.32Å; D179-K182 WeakPolarHBondContact OD1-CB 3.44Å; D179-K182 PolarHBondContact OD1-N 2.95Å; K182-R184 VanDerWaalsContact C-N 3.35Å; K182-R184 PolarHBondContact O-N 3.31Å; K182-S185 PolarHBondContact O-N 3.37Å; K182-S185 VanDerWaalsContact O-N 3.15Å; K182-S185 PolarHBondContact O-OG 2.82Å; K182-V186 WeakPolarHBondContact O-CG2 3.31Å; K182-V186 PolarHBondContact O-N 2.89Å
183I84.7Confident79.5Confident1 Ų152.6 Ų52.61%0.00527%0.27CS..Hα-helixtrans-64.3-40.9174.8-80.3172000112F175 L178 D179 S185 V186 L187 W207 L222F175-I183 HydrophobicContact CZ-CD1 4.46Å; L178-I183 HydrophobicContact CB-CD1 3.78Å; L178-I183 HydrophobicContact CB-CG1 3.74Å; L178-I183 HydrophobicContact CD1-CD1 4.33Å; L178-I183 HydrophobicContact CD1-CG1 3.77Å; L178-I183 HydrophobicContact CG-CG1 4.43Å; D179-I183 PolarHBondContact O-N 3.38Å; D179-I183 VanDerWaalsContact O-N 3.16Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.06Å; I183-V186 PolarHBondContact O-N 3.03Å; I183-L187 HydrophobicContact CG2-CD1 3.39Å; I183-L187 HydrophobicContact CG2-CG 4.01Å; I183-L187 VanDerWaalsContact O-CB 3.3Å; I183-L187 WeakPolarHBondContact O-CB 3.32Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.11Å; I183-L187 PolarHBondContact O-N 3.35Å; I183-W207 HydrophobicContact CD1-CB 4.2Å; I183-W207 HydrophobicContact CD1-CD2 3.32Å; I183-W207 HydrophobicContact CD1-CE3 4.12Å; I183-W207 HydrophobicContact CD1-CG 3.29Å; I183-W207 HydrophobicContact CD1-CZ2 3.9Å; I183-L222 HydrophobicContact CG2-CD1 3.99Å; I183-L222 HydrophobicContact CG2-CD2 3.85Å
184R81.6Confident78.5Confident73 Ų7346.1 Ų46.128%0.27524%0.242SC..Hα-helixtrans-57.5-44.3173.2-173.7-172.1-61.4-146.8-1.8110.9C180 E181 K182 V186 A188 D221 L222C180-R184 VanDerWaalsContact O-CB 3.25Å; C180-R184 WeakPolarHBondContact O-CB 3.34Å; C180-R184 PolarHBondContact O-N 3.28Å; C180-R184 VanDerWaalsContact O-N 3.08Å; E181-R184 WeakPolarHBondContact O-CB 3.33Å; E181-R184 PolarHBondContact O-N 3.03Å; K182-R184 VanDerWaalsContact C-N 3.35Å; K182-R184 PolarHBondContact O-N 3.31Å; R184-V186 PolarHBondContact O-N 3.33Å; R184-A188 WeakPolarHBondContact O-CB 3.31Å; R184-A188 PolarHBondContact O-N 2.67Å; R184-D221 IonicContact CZ-OD2 3.72Å; R184-D221 IonicContact NH1-OD2 3.42Å; R184-D221 IonicContact NH2-OD2 3.19Å; R184-D221 PolarHBondContact NH2-OD2 2.98Å; R184-L222 HydrophobicContact CB-CD2 3.72Å; R184-L222 HydrophobicContact CG-CD2 4.35Å
185S80.1Confident77Confident64 Ų6446 Ų4645%0.44824%0.241SC..Hα-helixtrans-63.5-40.1179.176.50000112.7E181 K182 I183 D189E181-S185 PolarHBondContact O-N 2.83Å; K182-S185 PolarHBondContact O-N 3.37Å; K182-S185 VanDerWaalsContact O-N 3.15Å; K182-S185 PolarHBondContact O-OG 2.82Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.06Å; S185-D189 PolarHBondContact O-N 2.96Å
186V78.3Confident75.7Confident11 Ų1147.8 Ų47.87%0.06726%0.261CS..Hα-helixtrans-70.4-47.3178.81750000110.5M162 F166 K182 I183 R184 A188 D189 L192M162-V186 HydrophobicContact CE-CG2 3.53Å; F166-V186 HydrophobicContact CD2-CG1 4.17Å; F166-V186 HydrophobicContact CE2-CG1 3.49Å; F166-V186 VanDerWaalsContact CE2-CG1 3.49Å; F166-V186 HydrophobicContact CZ-CG1 4.28Å; K182-V186 WeakPolarHBondContact O-CG2 3.31Å; K182-V186 PolarHBondContact O-N 2.89Å; I183-V186 PolarHBondContact O-N 3.03Å; R184-V186 PolarHBondContact O-N 3.33Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.38Å; V186-D189 VanDerWaalsContact O-CB 3.26Å; V186-D189 WeakPolarHBondContact O-CB 3.3Å; V186-D189 PolarHBondContact O-N 3.25Å; V186-D189 VanDerWaalsContact O-N 3.12Å; V186-L192 HydrophobicContact CG1-CD2 4.27Å; V186-L192 VanDerWaalsContact O-CD1 3.26Å; V186-L192 WeakPolarHBondContact O-CD1 3.42Å
187L76.4Confident74.8Confident10 Ų1047.8 Ų47.85%0.05226%0.261CS..Hα-helixtrans-70.2-27.1-179.7-68.1176.6000113.6F166 I183 D189 L200 V204 L222 I226F166-L187 HydrophobicContact CE1-CD2 4.28Å; F166-L187 HydrophobicContact CZ-CD2 3.83Å; I183-L187 HydrophobicContact CG2-CD1 3.39Å; I183-L187 HydrophobicContact CG2-CG 4.01Å; I183-L187 VanDerWaalsContact O-CB 3.3Å; I183-L187 WeakPolarHBondContact O-CB 3.32Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.11Å; I183-L187 PolarHBondContact O-N 3.35Å; L187-D189 VanDerWaalsContact C-N 3.25Å; L187-L200 HydrophobicContact CD2-CD2 4.08Å; L187-V204 HydrophobicContact CD1-CG2 3.5Å; L187-V204 VanDerWaalsContact CD1-CG2 3.5Å; L187-L222 HydrophobicContact CD1-CD2 4.4Å; L187-I226 HydrophobicContact CB-CD1 4.38Å; L187-I226 HydrophobicContact CB-CG1 3.98Å; L187-I226 HydrophobicContact CD1-CD1 3.79Å; L187-I226 HydrophobicContact CD1-CG1 4.31Å; L187-I226 HydrophobicContact CD2-CD1 4.39Å; L187-I226 HydrophobicContact CG-CD1 4.43Å
188A71.3Confident73.8Confident48 Ų4844.3 Ų44.340%0.39725%0.245SC..THydrogen-bonded Turntrans-77.4-11.8172.700000112.7R184 V186 Q190R184-A188 WeakPolarHBondContact O-CB 3.31Å; R184-A188 PolarHBondContact O-N 2.67Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.38Å; A188-Q190 PolarHBondContact O-N 3.13Å
189D70.6Confident73Confident46 Ų4644.6 Ų44.625%0.24625%0.25CC..  trans-69.1122.6178.5-160.8-43.3000110.1L163 S185 V186 L187 S191 L192L163-D189 HydrophobicContact CD2-CB 3.89Å; S185-D189 PolarHBondContact O-N 2.96Å; V186-D189 VanDerWaalsContact O-CB 3.26Å; V186-D189 WeakPolarHBondContact O-CB 3.3Å; V186-D189 PolarHBondContact O-N 3.25Å; V186-D189 VanDerWaalsContact O-N 3.12Å; L187-D189 VanDerWaalsContact C-N 3.25Å; D189-S191 PolarHBondContact O-N 2.93Å; D189-S191 WeakPolarHBondContact OD1-CB 3.44Å; D189-S191 PolarHBondContact OD1-N 3.27Å; D189-S191 PolarHBondContact OD1-OG 2.78Å; D189-L192 WeakPolarHBondContact O-CG 3.05Å
190Q63.9Low72.5Confident100 Ų10040.5 Ų40.547%0.46723%0.228SC..THydrogen-bonded Turntrans-76.7-4.1-173.7-62.9179.2-5.700113.1A188 R272A188-Q190 PolarHBondContact O-N 3.13Å; Q190-R272 PolarHBondContact OE1-O 2.88Å
191S64.4Low72Confident14 Ų1439.3 Ų39.310%0.09822%0.22CC..THydrogen-bonded Turntrans-103.210.6-178.164.60000115L163 D189 T193 I274L163-S191 WeakPolarHBondContact CD1-OG 3.24Å; D189-S191 PolarHBondContact O-N 2.93Å; D189-S191 WeakPolarHBondContact OD1-CB 3.44Å; D189-S191 PolarHBondContact OD1-N 3.27Å; D189-S191 PolarHBondContact OD1-OG 2.78Å; S191-T193 PolarHBondContact O-N 3.17Å; S191-I274 WeakPolarHBondContact CA-O 3.17Å
192L67.9Low71.5Confident22 Ų2235.2 Ų35.212%0.11520%0.202CC..  trans-61.4132.3175.2-74.1171.2000112.5L163 F166 V186 D189 V194 L200L163-L192 HydrophobicContact CD2-CD2 3.64Å; L163-L192 HydrophobicContact CD2-CG 4.01Å; F166-L192 HydrophobicContact CB-CD2 4.09Å; F166-L192 HydrophobicContact CD1-CD2 4.06Å; F166-L192 HydrophobicContact CD2-CD2 3.52Å; F166-L192 HydrophobicContact CE1-CD2 4.39Å; F166-L192 HydrophobicContact CE2-CD2 3.91Å; F166-L192 HydrophobicContact CG-CD2 3.6Å; F166-L192 HydrophobicContact CZ-CD2 4.32Å; V186-L192 HydrophobicContact CG1-CD2 4.27Å; V186-L192 VanDerWaalsContact O-CD1 3.26Å; V186-L192 WeakPolarHBondContact O-CD1 3.42Å; D189-L192 WeakPolarHBondContact O-CG 3.05Å; L192-V194 PolarHBondContact O-N 3.45Å; L192-L200 HydrophobicContact CD1-CD2 4.04Å
193T65.8Low71.4Confident16 Ų1634 Ų3410%0.09820%0.197CC..  trans-96.695.2176.7-53.70000109.9L163 P167 S191 H559L163-T193 WeakPolarHBondContact O-CB 3.35Å; L163-T193 PolarHBondContact O-N 2.92Å; L163-T193 VanDerWaalsContact O-N 3.14Å; L163-T193 PolarHBondContact O-OG1 3.35Å; P167-T193 WeakPolarHBondContact CD-O 3.16Å; S191-T193 PolarHBondContact O-N 3.17Å; T193-H559 PolarHBondContact OG1-CD2 3.46Å; T193-H559 VanDerWaalsContact OG1-CD2 3.23Å; T193-H559 PolarHBondContact OG1-NE2 2.84Å
194V65.2Low71.3Confident23 Ų2334.1 Ų34.114%0.13920%0.198CC..  trans-130.4144.7176-72.20000111.4F166 L192 G196 A199 L200F166-V194 HydrophobicContact CD1-CG1 3.64Å; F166-V194 HydrophobicContact CE1-CG1 4.32Å; L192-V194 PolarHBondContact O-N 3.45Å; V194-G196 VanDerWaalsContact C-N 3.29Å; V194-G196 PolarHBondContact O-N 2.92Å; V194-A199 HydrophobicContact CB-CB 4.32Å; V194-A199 HydrophobicContact CG1-CB 4.39Å; V194-L200 HydrophobicContact CB-CD2 4.32Å; V194-L200 HydrophobicContact CB-CG 4.38Å; V194-L200 HydrophobicContact CG1-CD2 3.64Å; V194-L200 HydrophobicContact CG1-CG 4.17Å; V194-L200 HydrophobicContact CG2-CD1 3.9Å; V194-L200 HydrophobicContact CG2-CD2 3.96Å; V194-L200 HydrophobicContact CG2-CG 3.81Å
195Q56.3Low71.1Confident56 Ų5630.9 Ų30.926%0.26219%0.187SC..SBendtrans-78.784.3169.6-74.3-173.8-34.400108.8H468 G511Q195-H468 PolarHBondContact NE2-CE1 2.76Å; Q195-H468 VanDerWaalsContact NE2-CE1 3.3Å; Q195-H468 PolarHBondContact OE1-CE1 2.84Å; Q195-H468 PolarHBondContact OE1-NE2 3.44Å; Q195-G511 VanDerWaalsContact NE2-CA 3.26Å; Q195-G511 PolarHBondContact NE2-O 3.22Å
196G62.1Low71.2Confident43 Ų4330.6 Ų30.644%0.44318%0.176SC..Hα-helixtrans76.5173.2177.900000114.8V194 E198V194-G196 VanDerWaalsContact C-N 3.29Å; V194-G196 PolarHBondContact O-N 2.92Å; G196-E198 VanDerWaalsContact C-N 3.26Å; G196-E198 PolarHBondContact O-N 3.42Å
197D67.1Low71.7Confident21 Ų2130.1 Ų30.111%0.11217%0.173CC..Hα-helixtrans-72.9-19.6-173.2-73.2-5.8000112.6L200 I201 L228 S229 L230D197-L200 PolarHBondContact O-N 3.03Å; D197-I201 PolarHBondContact O-N 3.37Å; D197-L228 HydrophobicContact CB-CD2 3.64Å; D197-S229 PolarHBondContact OD2-N 3.03Å; D197-S229 PolarHBondContact OD2-OG 3.41Å; D197-L230 HydrophobicContact CB-CD1 3.99Å; D197-L230 HydrophobicContact CB-CD2 4.13Å; D197-L230 HydrophobicContact CB-CG 3.85Å
198E67.6Low72.1Confident79 Ų7929.7 Ų29.737%0.36917%0.17SC..Hα-helixtrans-65.2-44.3-178-59-172.1172.800112.1G196 L200 I201 D202 L230G196-E198 VanDerWaalsContact C-N 3.26Å; G196-E198 PolarHBondContact O-N 3.42Å; E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.49Å; E198-I201 WeakPolarHBondContact O-CB 3.4Å; E198-I201 PolarHBondContact O-N 2.86Å; E198-I201 VanDerWaalsContact O-N 3.1Å; E198-D202 PolarHBondContact O-N 3.08Å; E198-L230 HydrophobicContact CG-CD1 4.32Å; E198-L230 HydrophobicContact CG-CD2 3.73Å
199A71.3Confident72.5Confident25 Ų2529.1 Ų29.121%0.20716%0.163CC..Hα-helixtrans-58.2-41.4177.600000111.3M170 V194 I201 D202 G203M170-A199 WeakPolarHBondContact CE-O 3.38Å; V194-A199 HydrophobicContact CB-CB 4.32Å; V194-A199 HydrophobicContact CG1-CB 4.39Å; A199-I201 VanDerWaalsContact C-N 3.31Å; A199-I201 PolarHBondContact O-N 3.29Å; A199-D202 PolarHBondContact O-N 3.03Å; A199-G203 PolarHBondContact O-N 2.98Å; A199-G203 VanDerWaalsContact O-N 3.08Å
200L76.2Confident73.2Confident12 Ų1232.3 Ų32.36%0.06318%0.177CC..Hα-helixtrans-63.1-39.3178.2-62.2175.6000112F166 L187 L192 V194 D197 E198 G203 V204 I226F166-L200 HydrophobicContact CD1-CD2 4.2Å; F166-L200 HydrophobicContact CE1-CD2 3.67Å; L187-L200 HydrophobicContact CD2-CD2 4.08Å; L192-L200 HydrophobicContact CD1-CD2 4.04Å; V194-L200 HydrophobicContact CB-CD2 4.32Å; V194-L200 HydrophobicContact CB-CG 4.38Å; V194-L200 HydrophobicContact CG1-CD2 3.64Å; V194-L200 HydrophobicContact CG1-CG 4.17Å; V194-L200 HydrophobicContact CG2-CD1 3.9Å; V194-L200 HydrophobicContact CG2-CD2 3.96Å; V194-L200 HydrophobicContact CG2-CG 3.81Å; D197-L200 PolarHBondContact O-N 3.03Å; E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.49Å; L200-G203 PolarHBondContact O-N 3.24Å; L200-V204 WeakPolarHBondContact O-CG2 3.44Å; L200-V204 PolarHBondContact O-N 2.88Å; L200-V204 VanDerWaalsContact O-N 3.13Å; L200-I226 HydrophobicContact CB-CG2 3.8Å; L200-I226 HydrophobicContact CD1-CG2 3.58Å; L200-I226 HydrophobicContact CG-CG2 4.31Å
201I73.7Confident74.2Confident4 Ų430.6 Ų30.62%0.02117%0.171CC..Hα-helixtrans-63.8-46.7174.9-69-176.4000110.5D197 E198 A199 G203 V204 V205 L223 L228 L230 F235D197-I201 PolarHBondContact O-N 3.37Å; E198-I201 WeakPolarHBondContact O-CB 3.4Å; E198-I201 PolarHBondContact O-N 2.86Å; E198-I201 VanDerWaalsContact O-N 3.1Å; A199-I201 VanDerWaalsContact C-N 3.31Å; A199-I201 PolarHBondContact O-N 3.29Å; I201-G203 PolarHBondContact O-N 3.16Å; I201-V204 PolarHBondContact O-N 3.07Å; I201-V204 VanDerWaalsContact O-N 3.1Å; I201-V205 HydrophobicContact CG2-CG2 4.05Å; I201-V205 WeakPolarHBondContact O-CG2 3.29Å; I201-V205 PolarHBondContact O-N 3.24Å; I201-L223 HydrophobicContact CG1-CD2 4.46Å; I201-L228 HydrophobicContact CD1-CD1 3.79Å; I201-L228 HydrophobicContact CD1-CD2 3.82Å; I201-L228 HydrophobicContact CD1-CG 4.43Å; I201-L228 HydrophobicContact CG1-CD1 3.9Å; I201-L228 HydrophobicContact CG1-CD2 3.72Å; I201-L228 HydrophobicContact CG1-CG 4.49Å; I201-L230 HydrophobicContact CD1-CD1 3.29Å; I201-L230 HydrophobicContact CG1-CD1 4.39Å; I201-F235 HydrophobicContact CD1-CD2 3.85Å; I201-F235 HydrophobicContact CD1-CE2 4.01Å; I201-F235 HydrophobicContact CG2-CD2 4.4Å; I201-F235 HydrophobicContact CG2-CE2 3.84Å
202D74.9Confident74.9Confident42 Ų4231.2 Ų31.223%0.22517%0.173CC..Hα-helixtrans-58.2-39.1-178.9-70.3-11.7000110.8E198 A199 V205 R206 S238 H242E198-D202 PolarHBondContact O-N 3.08Å; A199-D202 PolarHBondContact O-N 3.03Å; D202-V205 PolarHBondContact O-N 2.79Å; D202-R206 VanDerWaalsContact O-CB 3.29Å; D202-R206 WeakPolarHBondContact O-CB 3.24Å; D202-R206 PolarHBondContact O-N 3.09Å; D202-S238 PolarHBondContact OD1-OG 3.08Å; D202-S238 VanDerWaalsContact OD1-OG 3.13Å; D202-H242 IonicContact OD1-CE1 2.7Å; D202-H242 PolarHBondContact OD1-CE1 3.39Å; D202-H242 IonicContact OD1-ND1 3.1Å; D202-H242 IonicContact OD1-NE2 3.64Å; D202-H242 IonicContact OD2-CE1 2.78Å; D202-H242 PolarHBondContact OD2-CE1 2.8Å; D202-H242 VanDerWaalsContact OD2-CE1 3.25Å; D202-H242 IonicContact OD2-NE2 2.93Å
203G80.2Confident75.5Confident3 Ų336.2 Ų36.23%0.03120%0.2CC..Hα-helixtrans-63.9-46.1173.600000113.7A199 L200 I201 V205 R206 W207A199-G203 PolarHBondContact O-N 2.98Å; A199-G203 VanDerWaalsContact O-N 3.08Å; L200-G203 PolarHBondContact O-N 3.24Å; I201-G203 PolarHBondContact O-N 3.16Å; G203-V205 VanDerWaalsContact C-N 3.34Å; G203-V205 PolarHBondContact O-N 2.83Å; G203-R206 PolarHBondContact O-N 2.84Å; G203-W207 WeakPolarHBondContact O-CB 3.33Å; G203-W207 PolarHBondContact O-N 2.99Å
204V81.8Confident76.4Confident5 Ų538.1 Ų38.13%0.0321%0.214CC..Hα-helixtrans-61.2-45.3175.6173.30000110.4L187 L200 I201 W207 V208 L222 I226L187-V204 HydrophobicContact CD1-CG2 3.5Å; L187-V204 VanDerWaalsContact CD1-CG2 3.5Å; L200-V204 WeakPolarHBondContact O-CG2 3.44Å; L200-V204 PolarHBondContact O-N 2.88Å; L200-V204 VanDerWaalsContact O-N 3.13Å; I201-V204 PolarHBondContact O-N 3.07Å; I201-V204 VanDerWaalsContact O-N 3.1Å; V204-W207 PolarHBondContact O-N 3.34Å; V204-V208 HydrophobicContact CG1-CG2 4.23Å; V204-V208 WeakPolarHBondContact O-CB 3.4Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.01Å; V204-L222 HydrophobicContact CG1-CB 4.49Å; V204-L222 HydrophobicContact CG1-CD1 4.29Å; V204-I226 HydrophobicContact CG2-CD1 3.53Å
205V78.9Confident77.4Confident5 Ų538.2 Ų38.23%0.0321%0.211CC..Hα-helixtrans-62.5-45.3179.4171.40000110.3I201 D202 G203 S209 L246 I257I201-V205 HydrophobicContact CG2-CG2 4.05Å; I201-V205 WeakPolarHBondContact O-CG2 3.29Å; I201-V205 PolarHBondContact O-N 3.24Å; D202-V205 PolarHBondContact O-N 2.79Å; G203-V205 VanDerWaalsContact C-N 3.34Å; G203-V205 PolarHBondContact O-N 2.83Å; V205-S209 WeakPolarHBondContact O-CB 3.4Å; V205-S209 PolarHBondContact O-N 3.45Å; V205-S209 PolarHBondContact O-OG 2.98Å; V205-L246 HydrophobicContact CG1-CD2 4.38Å; V205-I257 HydrophobicContact CG2-CD1 4.16Å
206R82.2Confident78.5Confident57 Ų5736.2 Ų36.222%0.21520%0.203CC..Hα-helixtrans-60.1-48176.9-171.1-171.6175111.2-12.1111.5M170 E171 L176 D202 G203 S209 H210M170-R206 WeakPolarHBondContact O-CD 3.47Å; M170-R206 PolarHBondContact O-NE 3.14Å; E171-R206 PolarHBondContact O-NH2 2.79Å; E171-R206 VanDerWaalsContact O-NH2 3.1Å; E171-R206 IonicContact OE1-NH1 3.38Å; E171-R206 IonicContact OE2-CZ 3.58Å; E171-R206 IonicContact OE2-NH1 2.7Å; E171-R206 PolarHBondContact OE2-NH1 3Å; E171-R206 IonicContact OE2-NH2 2.84Å; E171-R206 PolarHBondContact OE2-NH2 3.48Å; E171-R206 VanDerWaalsContact OE2-NH2 3.14Å; L176-R206 HydrophobicContact CD2-CG 3.98Å; D202-R206 VanDerWaalsContact O-CB 3.29Å; D202-R206 WeakPolarHBondContact O-CB 3.24Å; D202-R206 PolarHBondContact O-N 3.09Å; G203-R206 PolarHBondContact O-N 2.84Å; R206-S209 PolarHBondContact O-N 2.9Å; R206-H210 PolarHBondContact O-N 2.64Å
207W87.7Confident79.4Confident1 Ų140.6 Ų40.60%0.00421%0.212CC..Hα-helixtrans-64.9-42.5-179.6178.382.6000113.1F175 L178 C180 I183 G203 V204 H210 R215 C218 L222F175-W207 HydrophobicContact CE1-CB 4.07Å; F175-W207 VanDerWaalsContact O-CD1 3.32Å; L178-W207 VanDerWaalsContact O-CZ2 3.27Å; L178-W207 WeakPolarHBondContact O-CZ2 3.49Å; L178-W207 PolarHBondContact O-NE1 3.32Å; C180-W207 HydrophobicContact CB-CH2 4.21Å; C180-W207 VanDerWaalsContact SG-CH2 3.54Å; I183-W207 HydrophobicContact CD1-CB 4.2Å; I183-W207 HydrophobicContact CD1-CD2 3.32Å; I183-W207 HydrophobicContact CD1-CE3 4.12Å; I183-W207 HydrophobicContact CD1-CG 3.29Å; I183-W207 HydrophobicContact CD1-CZ2 3.9Å; G203-W207 WeakPolarHBondContact O-CB 3.33Å; G203-W207 PolarHBondContact O-N 2.99Å; V204-W207 PolarHBondContact O-N 3.34Å; W207-H210 WeakPolarHBondContact O-CB 3.47Å; W207-H210 PolarHBondContact O-N 3.34Å; W207-R215 VanDerWaalsContact CE2-CZ 3.45Å; W207-R215 HydrophobicContact CE3-CB 4.43Å; W207-R215 HydrophobicContact CH2-CB 3.9Å; W207-R215 HydrophobicContact CH2-CG 3.52Å; W207-R215 VanDerWaalsContact CZ2-CD 3.43Å; W207-R215 HydrophobicContact CZ2-CG 3.88Å; W207-R215 HydrophobicContact CZ3-CB 3.77Å; W207-R215 HydrophobicContact CZ3-CG 3.88Å; W207-R215 VanDerWaalsContact NE1-CZ 3.33Å; W207-R215 VanDerWaalsContact NE1-NH1 3.1Å; W207-R215 WeakPolarHBondContact O-CD 3.4Å; W207-R215 PolarHBondContact O-NH1 3.11Å; W207-C218 HydrophobicContact CZ3-CB 4.43Å; W207-L222 HydrophobicContact CE3-CD1 4.02Å; W207-L222 HydrophobicContact CZ3-CD1 3.72Å
208V84.4Confident80.1Confident1 Ų139.9 Ų39.91%0.00621%0.208CC..Hα-helixtrans-69.8-36.3177.3175.70000111.1V204 H210 D211 L212 R215 V219 L253V204-V208 HydrophobicContact CG1-CG2 4.23Å; V204-V208 WeakPolarHBondContact O-CB 3.4Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.36Å; V204-V208 PolarHBondContact O-N 3.01Å; V208-H210 PolarHBondContact O-N 2.85Å; V208-D211 CarbonylContact O-C 3.53Å; V208-D211 PolarHBondContact O-N 2.92Å; V208-L212 VanDerWaalsContact O-CA 3.22Å; V208-L212 WeakPolarHBondContact O-CA 3.44Å; V208-L212 PolarHBondContact O-N 3.3Å; V208-L212 VanDerWaalsContact O-N 3.08Å; V208-R215 HydrophobicContact CG1-CB 4.26Å; V208-R215 HydrophobicContact CG2-CB 4.33Å; V208-V219 HydrophobicContact CB-CG2 4.29Å; V208-V219 HydrophobicContact CG1-CG2 3.77Å; V208-V219 HydrophobicContact CG2-CG2 3.66Å; V208-L253 HydrophobicContact CG1-CD1 3.63Å
209S81.4Confident80.7Confident36 Ų3636.2 Ų36.225%0.25219%0.191SC..Hα-helixtrans-64.9-23.2179.2-61.10000112.8V205 R206V205-S209 WeakPolarHBondContact O-CB 3.4Å; V205-S209 PolarHBondContact O-N 3.45Å; V205-S209 PolarHBondContact O-OG 2.98Å; R206-S209 PolarHBondContact O-N 2.9Å
210H85.1Confident80.8Confident113 Ų11336.8 Ų36.852%0.52319%0.194SC..Hα-helixtrans-68-37175.7-172.581.2000113.1L176 R206 W207 V208L176-H210 HydrophobicContact CB-CB 4.38Å; L176-H210 HydrophobicContact CD2-CB 4.49Å; R206-H210 PolarHBondContact O-N 2.64Å; W207-H210 WeakPolarHBondContact O-CB 3.47Å; W207-H210 PolarHBondContact O-N 3.34Å; V208-H210 PolarHBondContact O-N 2.85Å
211D83.6Confident80.9Confident64 Ų6439.8 Ų39.834%0.34221%0.21SC..SBendtrans-143.376.3174.3-176.93.3000110.9V208 D213 S214 R215V208-D211 CarbonylContact O-C 3.53Å; V208-D211 PolarHBondContact O-N 2.92Å; D211-D213 VanDerWaalsContact C-N 3.34Å; D211-D213 PolarHBondContact O-N 3.42Å; D211-S214 PolarHBondContact OD1-N 2.96Å; D211-S214 PolarHBondContact OD1-OG 3.5Å; D211-S214 VanDerWaalsContact OD2-CB 3.25Å; D211-S214 WeakPolarHBondContact OD2-CB 3.03Å; D211-S214 PolarHBondContact OD2-OG 3.4Å; D211-R215 HydrophobicContact CB-CG 4.31Å; D211-R215 WeakPolarHBondContact O-CB 3.37Å; D211-R215 VanDerWaalsContact O-CG 3.27Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 2.88Å
212L79.2Confident81.1Confident28 Ų2839.6 Ų39.615%0.14721%0.209CC..Hα-helixtrans-65-36.8-171.2-174.5141.7000112.8V208 V216 N249 L253V208-L212 VanDerWaalsContact O-CA 3.22Å; V208-L212 WeakPolarHBondContact O-CA 3.44Å; V208-L212 PolarHBondContact O-N 3.3Å; V208-L212 VanDerWaalsContact O-N 3.08Å; L212-V216 VanDerWaalsContact O-CB 3.23Å; L212-V216 WeakPolarHBondContact O-CB 3.33Å; L212-V216 WeakPolarHBondContact O-CG1 3.33Å; L212-V216 PolarHBondContact O-N 3.34Å; L212-V216 VanDerWaalsContact O-N 3.13Å; L212-N249 HydrophobicContact CD1-CB 4.26Å; L212-N249 HydrophobicContact CD2-CB 4.08Å; L212-L253 HydrophobicContact CD1-CB 4.33Å; L212-L253 HydrophobicContact CD1-CD2 4.43Å
213D80.6Confident81Confident127 Ų12737.7 Ų37.768%0.67920%0.199SC*.Hα-helixtrans-70.3-40.2-175.3-72.5-39.2000111.5D211D211-D213 VanDerWaalsContact C-N 3.34Å; D211-D213 PolarHBondContact O-N 3.42Å
214S84.1Confident80.7Confident55 Ų5540.7 Ų40.739%0.38521%0.212SC..Hα-helixtrans-81.2-32.9176.888.20000112.4D211 H217D211-S214 PolarHBondContact OD1-N 2.96Å; D211-S214 PolarHBondContact OD1-OG 3.5Å; D211-S214 VanDerWaalsContact OD2-CB 3.25Å; D211-S214 WeakPolarHBondContact OD2-CB 3.03Å; D211-S214 PolarHBondContact OD2-OG 3.4Å; S214-H217 PolarHBondContact O-CE1 3.06Å; S214-H217 PolarHBondContact O-ND1 2.81Å
215R86.4Confident80Confident25 Ų2541.5 Ų41.59%0.09422%0.218CC..Hα-helixtrans-98.5-13.8-168.1-61.5171.1178.5-179.1-4115.8L176 W207 V208 D211 H217 C218L176-R215 VanDerWaalsContact O-CZ 3.24Å; L176-R215 PolarHBondContact O-NH1 2.91Å; L176-R215 PolarHBondContact O-NH2 2.97Å; W207-R215 VanDerWaalsContact CE2-CZ 3.45Å; W207-R215 HydrophobicContact CE3-CB 4.43Å; W207-R215 HydrophobicContact CH2-CB 3.9Å; W207-R215 HydrophobicContact CH2-CG 3.52Å; W207-R215 VanDerWaalsContact CZ2-CD 3.43Å; W207-R215 HydrophobicContact CZ2-CG 3.88Å; W207-R215 HydrophobicContact CZ3-CB 3.77Å; W207-R215 HydrophobicContact CZ3-CG 3.88Å; W207-R215 VanDerWaalsContact NE1-CZ 3.33Å; W207-R215 VanDerWaalsContact NE1-NH1 3.1Å; W207-R215 WeakPolarHBondContact O-CD 3.4Å; W207-R215 PolarHBondContact O-NH1 3.11Å; V208-R215 HydrophobicContact CG1-CB 4.26Å; V208-R215 HydrophobicContact CG2-CB 4.33Å; D211-R215 HydrophobicContact CB-CG 4.31Å; D211-R215 WeakPolarHBondContact O-CB 3.37Å; D211-R215 VanDerWaalsContact O-CG 3.27Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 2.88Å; R215-H217 PolarHBondContact O-N 3.19Å; R215-C218 WeakPolarHBondContact O-CB 3.41Å; R215-C218 PolarHBondContact O-N 3.48Å
216V79.2Confident79.5Confident15 Ų1541.8 Ų41.89%0.09122%0.219CC..THydrogen-bonded Turntrans-56.3-28.1-175.667.50000113.9L212 V219 L253 V256L212-V216 VanDerWaalsContact O-CB 3.23Å; L212-V216 WeakPolarHBondContact O-CB 3.33Å; L212-V216 WeakPolarHBondContact O-CG1 3.33Å; L212-V216 PolarHBondContact O-N 3.34Å; L212-V216 VanDerWaalsContact O-N 3.13Å; V216-V219 WeakPolarHBondContact O-CB 3.35Å; V216-V219 WeakPolarHBondContact O-CG2 3.44Å; V216-L253 HydrophobicContact CG2-CD1 4.32Å; V216-V256 HydrophobicContact CG2-CG2 4.26Å
217H81.9Confident78.6Confident135 Ų13544.4 Ų44.463%0.62523%0.233SC*.THydrogen-bonded Turntrans-74.1-26.7178.469.4-86.8000113S214 R215 V219S214-H217 PolarHBondContact O-CE1 3.06Å; S214-H217 PolarHBondContact O-ND1 2.81Å; R215-H217 PolarHBondContact O-N 3.19Å; H217-V219 VanDerWaalsContact C-N 3.35Å
218C82.6Confident77.3Confident6 Ų645.5 Ų45.54%0.04124%0.239CC..Hα-helixtrans-76.9-21.7178.1-63.10000112.3C180 W207 R215 S220 D221 L222C180-C218 HydrophobicContact CB-CB 3.95Å; C180-C218 WeakPolarHBondContact CB-SG 3.11Å; C180-C218 WeakPolarHBondContact SG-CB 3.33Å; C180-C218 CovalentContact SG-SG 2.06Å; C180-C218 PolarHBondContact SG-SG 2.8Å; W207-C218 HydrophobicContact CZ3-CB 4.43Å; R215-C218 WeakPolarHBondContact O-CB 3.41Å; R215-C218 PolarHBondContact O-N 3.48Å; C218-S220 VanDerWaalsContact C-N 3.33Å; C218-S220 PolarHBondContact O-N 2.9Å; C218-D221 PolarHBondContact O-N 2.86Å; C218-D221 VanDerWaalsContact O-N 3.13Å; C218-L222 HydrophobicContact CB-CD1 4.38Å; C218-L222 HydrophobicContact CB-CG 4.49Å; C218-L222 VanDerWaalsContact O-CG 3.32Å; C218-L222 WeakPolarHBondContact O-CG 3.22Å; C218-L222 PolarHBondContact O-N 2.86Å
219V79.1Confident75.8Confident1 Ų150 Ų501%0.00627%0.271CS..Hα-helixtrans-51-49.4-176.7174.70000112.4V208 V216 H217 D221 L222 L223 L253 V256 I257V208-V219 HydrophobicContact CB-CG2 4.29Å; V208-V219 HydrophobicContact CG1-CG2 3.77Å; V208-V219 HydrophobicContact CG2-CG2 3.66Å; V216-V219 WeakPolarHBondContact O-CB 3.35Å; V216-V219 WeakPolarHBondContact O-CG2 3.44Å; H217-V219 VanDerWaalsContact C-N 3.35Å; V219-D221 PolarHBondContact O-N 3.19Å; V219-L222 PolarHBondContact O-N 2.86Å; V219-L223 HydrophobicContact CG1-CD1 3.68Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 WeakPolarHBondContact O-CB 3.4Å; V219-L223 VanDerWaalsContact O-CG 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.32Å; V219-L223 PolarHBondContact O-N 2.86Å; V219-L253 HydrophobicContact CG2-CD1 3.8Å; V219-V256 HydrophobicContact CB-CG1 4.04Å; V219-V256 HydrophobicContact CG1-CG1 4.03Å; V219-I257 HydrophobicContact CG1-CG1 3.62Å
220S74Confident74.6Confident37 Ų3750.8 Ų50.826%0.25927%0.272SS..Hα-helixtrans-59.8-50.3-178.3-178.40000110.1C218 L222 L223 H224C218-S220 VanDerWaalsContact C-N 3.33Å; C218-S220 PolarHBondContact O-N 2.9Å; S220-L222 PolarHBondContact O-N 3.27Å; S220-L223 PolarHBondContact O-N 2.75Å; S220-H224 PolarHBondContact O-N 3.46Å; S220-H224 PolarHBondContact O-ND1 3.19Å; S220-H224 PolarHBondContact OG-CE1 2.67Å; S220-H224 PolarHBondContact OG-ND1 2.82Å
221D77.4Confident73.2Confident75 Ų7551.1 Ų51.140%0.40128%0.277SS..Hα-helixtrans-63.7-41.3-178.2-67.9-2.4000112.4R184 C218 V219 L223 H224 S225R184-D221 IonicContact CZ-OD2 3.72Å; R184-D221 IonicContact NH1-OD2 3.42Å; R184-D221 IonicContact NH2-OD2 3.19Å; R184-D221 PolarHBondContact NH2-OD2 2.98Å; C218-D221 PolarHBondContact O-N 2.86Å; C218-D221 VanDerWaalsContact O-N 3.13Å; V219-D221 PolarHBondContact O-N 3.19Å; D221-L223 PolarHBondContact O-N 2.85Å; D221-H224 PolarHBondContact O-N 2.95Å; D221-S225 PolarHBondContact O-N 2.93Å; D221-S225 PolarHBondContact O-OG 3.46Å
222L78.7Confident71.8Confident0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-61.7-44.4177-68.4179.5000111.3I183 R184 L187 V204 W207 C218 V219 S220 H224 S225 I226I183-L222 HydrophobicContact CG2-CD1 3.99Å; I183-L222 HydrophobicContact CG2-CD2 3.85Å; R184-L222 HydrophobicContact CB-CD2 3.72Å; R184-L222 HydrophobicContact CG-CD2 4.35Å; L187-L222 HydrophobicContact CD1-CD2 4.4Å; V204-L222 HydrophobicContact CG1-CB 4.49Å; V204-L222 HydrophobicContact CG1-CD1 4.29Å; W207-L222 HydrophobicContact CE3-CD1 4.02Å; W207-L222 HydrophobicContact CZ3-CD1 3.72Å; C218-L222 HydrophobicContact CB-CD1 4.38Å; C218-L222 HydrophobicContact CB-CG 4.49Å; C218-L222 VanDerWaalsContact O-CG 3.32Å; C218-L222 WeakPolarHBondContact O-CG 3.22Å; C218-L222 PolarHBondContact O-N 2.86Å; V219-L222 PolarHBondContact O-N 2.86Å; S220-L222 PolarHBondContact O-N 3.27Å; L222-H224 VanDerWaalsContact C-N 3.34Å; L222-H224 PolarHBondContact O-N 2.92Å; L222-S225 WeakPolarHBondContact CA-OG 3.31Å; L222-S225 PolarHBondContact O-N 2.93Å; L222-S225 VanDerWaalsContact O-N 3.11Å; L222-S225 PolarHBondContact O-OG 3.44Å; L222-I226 WeakPolarHBondContact O-CD1 3.21Å; L222-I226 VanDerWaalsContact O-CG1 3.23Å; L222-I226 WeakPolarHBondContact O-CG1 3.19Å; L222-I226 PolarHBondContact O-N 3.38Å
223L73.3Confident70.5Confident3 Ų358.7 Ų58.72%0.01632%0.317CS..Hα-helixtrans-68.7-32.4178.2-69.8173.6000113I201 V219 S220 D221 S225 I226 L228 I257 A260 M261I201-L223 HydrophobicContact CG1-CD2 4.46Å; V219-L223 HydrophobicContact CG1-CD1 3.68Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 WeakPolarHBondContact O-CB 3.4Å; V219-L223 VanDerWaalsContact O-CG 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.32Å; V219-L223 PolarHBondContact O-N 2.86Å; S220-L223 PolarHBondContact O-N 2.75Å; D221-L223 PolarHBondContact O-N 2.85Å; L223-S225 VanDerWaalsContact C-N 3.27Å; L223-S225 PolarHBondContact O-N 3.46Å; L223-I226 HydrophobicContact CD2-CD1 4.49Å; L223-I226 PolarHBondContact O-N 2.92Å; L223-L228 HydrophobicContact CD2-CD1 3.67Å; L223-I257 HydrophobicContact CD1-CB 4.17Å; L223-I257 HydrophobicContact CD1-CG1 4.13Å; L223-I257 HydrophobicContact CD1-CG2 3.69Å; L223-A260 HydrophobicContact CD1-CB 4.14Å; L223-M261 HydrophobicContact CB-CE 3.55Å; L223-M261 HydrophobicContact CD1-CE 3.95Å; L223-M261 HydrophobicContact CD2-CE 4.16Å; L223-M261 HydrophobicContact CG-CE 4.09Å
224H72.6Confident69.2Low65 Ų6559.6 Ų59.630%0.30131%0.311SS..Hα-helixtrans-66.1-31.4171.4-75.382.2000111.5S220 D221 L222 S263 N264S220-H224 PolarHBondContact O-N 3.46Å; S220-H224 PolarHBondContact O-ND1 3.19Å; S220-H224 PolarHBondContact OG-CE1 2.67Å; S220-H224 PolarHBondContact OG-ND1 2.82Å; D221-H224 PolarHBondContact O-N 2.95Å; L222-H224 VanDerWaalsContact C-N 3.34Å; L222-H224 PolarHBondContact O-N 2.92Å; H224-S263 PolarHBondContact CE1-OG 3.24Å; H224-S263 PolarHBondContact NE2-OG 2.7Å; H224-N264 PolarHBondContact CD2-OD1 2.87Å
225S68.6Low67.9Low22 Ų2257.7 Ų57.715%0.15430%0.296CS..Hα-helixtrans-72.6-23174.951.60000114.6D221 L222 L223 H227D221-S225 PolarHBondContact O-N 2.93Å; D221-S225 PolarHBondContact O-OG 3.46Å; L222-S225 WeakPolarHBondContact CA-OG 3.31Å; L222-S225 PolarHBondContact O-N 2.93Å; L222-S225 VanDerWaalsContact O-N 3.11Å; L222-S225 PolarHBondContact O-OG 3.44Å; L223-S225 VanDerWaalsContact C-N 3.27Å; L223-S225 PolarHBondContact O-N 3.46Å; S225-H227 PolarHBondContact O-CD2 3.22Å
226I67.6Low66.5Low11 Ų1160.8 Ų60.86%0.05632%0.315CS..THydrogen-bonded Turntrans-85.9-5-171.5-65.2163.1000113.6L187 L200 V204 L222 L223 L228L187-I226 HydrophobicContact CB-CD1 4.38Å; L187-I226 HydrophobicContact CB-CG1 3.98Å; L187-I226 HydrophobicContact CD1-CD1 3.79Å; L187-I226 HydrophobicContact CD1-CG1 4.31Å; L187-I226 HydrophobicContact CD2-CD1 4.39Å; L187-I226 HydrophobicContact CG-CD1 4.43Å; L200-I226 HydrophobicContact CB-CG2 3.8Å; L200-I226 HydrophobicContact CD1-CG2 3.58Å; L200-I226 HydrophobicContact CG-CG2 4.31Å; V204-I226 HydrophobicContact CG2-CD1 3.53Å; L222-I226 WeakPolarHBondContact O-CD1 3.21Å; L222-I226 VanDerWaalsContact O-CG1 3.23Å; L222-I226 WeakPolarHBondContact O-CG1 3.19Å; L222-I226 PolarHBondContact O-N 3.38Å; L223-I226 HydrophobicContact CD2-CD1 4.49Å; L223-I226 PolarHBondContact O-N 2.92Å; I226-L228 VanDerWaalsContact C-N 3.28Å; I226-L228 HydrophobicContact CB-CD2 4.39Å; I226-L228 HydrophobicContact CB-CG 4.15Å; I226-L228 HydrophobicContact CG2-CD1 4.46Å; I226-L228 HydrophobicContact CG2-CD2 3.48Å; I226-L228 VanDerWaalsContact CG2-CD2 3.48Å; I226-L228 HydrophobicContact CG2-CG 3.75Å; I226-L228 PolarHBondContact O-N 3.39Å
227H63.5Low65.4Low112 Ų11263.8 Ų63.852%0.51933%0.333SS..THydrogen-bonded Turntrans48.545.3176.7-64.3-73.6000114.6S225S225-H227 PolarHBondContact O-CD2 3.22Å
228L60.7Low64Low25 Ų2558 Ų5813%0.13131%0.308CS..  trans-62.6134-174.6-65.6164.3000112.9D197 I201 L223 I226 L230 M261D197-L228 HydrophobicContact CB-CD2 3.64Å; I201-L228 HydrophobicContact CD1-CD1 3.79Å; I201-L228 HydrophobicContact CD1-CD2 3.82Å; I201-L228 HydrophobicContact CD1-CG 4.43Å; I201-L228 HydrophobicContact CG1-CD1 3.9Å; I201-L228 HydrophobicContact CG1-CD2 3.72Å; I201-L228 HydrophobicContact CG1-CG 4.49Å; L223-L228 HydrophobicContact CD2-CD1 3.67Å; I226-L228 VanDerWaalsContact C-N 3.28Å; I226-L228 HydrophobicContact CB-CD2 4.39Å; I226-L228 HydrophobicContact CB-CG 4.15Å; I226-L228 HydrophobicContact CG2-CD1 4.46Å; I226-L228 HydrophobicContact CG2-CD2 3.48Å; I226-L228 VanDerWaalsContact CG2-CD2 3.48Å; I226-L228 HydrophobicContact CG2-CG 3.75Å; I226-L228 PolarHBondContact O-N 3.39Å; L228-L230 HydrophobicContact CD2-CD1 4.24Å; L228-M261 HydrophobicContact CB-SD 4.19Å; L228-M261 HydrophobicContact CD1-CE 3.36Å; L228-M261 HydrophobicContact CD1-SD 3.66Å
229S53.2Low62.9Low95 Ų9558 Ų5866%0.66431%0.308SS*.  trans-11634.4178.262.70000112.5D197D197-S229 PolarHBondContact OD2-N 3.03Å; D197-S229 PolarHBondContact OD2-OG 3.41Å
230L54.5Low61.9Low53 Ų5363.2 Ų63.228%0.27733%0.332SS..  trans-90.1141.4-176-67.9166.7000112.8D197 E198 I201 L228D197-L230 HydrophobicContact CB-CD1 3.99Å; D197-L230 HydrophobicContact CB-CD2 4.13Å; D197-L230 HydrophobicContact CB-CG 3.85Å; E198-L230 HydrophobicContact CG-CD1 4.32Å; E198-L230 HydrophobicContact CG-CD2 3.73Å; I201-L230 HydrophobicContact CD1-CD1 3.29Å; I201-L230 HydrophobicContact CG1-CD1 4.39Å; L228-L230 HydrophobicContact CD2-CD1 4.24Å
231D55.9Low61Low119 Ų11965.9 Ų65.964%0.63635%0.346SS*.  trans-74.1138.8168.4-93.9-24.7000110.9I233 Y234 F235D231-I233 PolarHBondContact O-N 3.17Å; D231-Y234 HydrophobicContact CB-CD2 4.08Å; D231-Y234 PolarHBondContact O-N 2.86Å; D231-Y234 VanDerWaalsContact O-N 3.09Å; D231-F235 PolarHBondContact O-N 2.97Å
232D54Low59.9Low118 Ų11863.5 Ų63.563%0.63133%0.333SS*.Hα-helixtrans-51.6-24.7-178.7-85.3-25000114.3N236D232-N236 PolarHBondContact O-ND2 3.37Å
233I52.2Low58.8Low133 Ų13370.5 Ų70.568%0.68236%0.359SS*.Hα-helixtrans-78.3-42.5-177.5-61.7174.8000111.3D231 T237D231-I233 PolarHBondContact O-N 3.17Å; I233-T237 PolarHBondContact O-OG1 3.29Å
234Y53.7Low57.8Low146 Ų14677.2 Ų77.257%0.57339%0.391SS*.Hα-helixtrans-72.8-36.8-176.8-77.3-88.2000112.1D231 N236 T237 S238D231-Y234 HydrophobicContact CB-CD2 4.08Å; D231-Y234 PolarHBondContact O-N 2.86Å; D231-Y234 VanDerWaalsContact O-N 3.09Å; Y234-N236 VanDerWaalsContact C-N 3.32Å; Y234-N236 PolarHBondContact O-N 3.2Å; Y234-T237 WeakPolarHBondContact O-CB 3.29Å; Y234-T237 PolarHBondContact O-N 3.36Å; Y234-S238 PolarHBondContact O-N 3.2Å
235F57.4Low56.9Low15 Ų1579.5 Ų79.57%0.06640%0.397CS..Hα-helixtrans-61-38.9176176.1-107.2000113.1I201 D231 T237 S238 L239 I257 V258I201-F235 HydrophobicContact CD1-CD2 3.85Å; I201-F235 HydrophobicContact CD1-CE2 4.01Å; I201-F235 HydrophobicContact CG2-CD2 4.4Å; I201-F235 HydrophobicContact CG2-CE2 3.84Å; D231-F235 PolarHBondContact O-N 2.97Å; F235-T237 PolarHBondContact O-N 2.7Å; F235-S238 PolarHBondContact O-N 3.33Å; F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CD1-CG 4.35Å; F235-L239 HydrophobicContact CD2-CG 4.41Å; F235-L239 HydrophobicContact CE1-CD1 3.1Å; F235-L239 HydrophobicContact CE1-CG 3.77Å; F235-L239 HydrophobicContact CE2-CD1 4.09Å; F235-L239 HydrophobicContact CE2-CD2 4.22Å; F235-L239 HydrophobicContact CE2-CG 3.81Å; F235-L239 HydrophobicContact CZ-CD1 3.2Å; F235-L239 HydrophobicContact CZ-CD2 3.85Å; F235-L239 HydrophobicContact CZ-CG 3.42Å; F235-L239 VanDerWaalsContact CZ-CG 3.42Å; F235-L239 WeakPolarHBondContact O-CB 3.39Å; F235-L239 PolarHBondContact O-N 3.2Å; F235-I257 HydrophobicContact CE1-CG2 3.95Å; F235-I257 HydrophobicContact CE2-CG2 3.9Å; F235-I257 HydrophobicContact CZ-CB 4.18Å; F235-I257 HydrophobicContact CZ-CG2 3.22Å; F235-V258 HydrophobicContact CE1-CG2 4.3Å
236N56.2Low56.2Low90 Ų9079.3 Ų79.348%0.48139%0.394SS..Hα-helixtrans-63.9-31.5176.2-78.7-54.6000111.9D232 Y234 E240D232-N236 PolarHBondContact O-ND2 3.37Å; Y234-N236 VanDerWaalsContact C-N 3.32Å; Y234-N236 PolarHBondContact O-N 3.2Å; N236-E240 WeakPolarHBondContact O-CB 3.45Å; N236-E240 WeakPolarHBondContact O-CG 3.49Å; N236-E240 PolarHBondContact O-N 2.93Å; N236-E240 VanDerWaalsContact O-N 3.09Å
237T55.9Low55.7Low78 Ų7883.6 Ų83.648%0.47943%0.426SS..Hα-helixtrans-72.1-45.7174.9-53.30000111.9I233 Y234 F235 L239 E240 V241I233-T237 PolarHBondContact O-OG1 3.29Å; Y234-T237 WeakPolarHBondContact O-CB 3.29Å; Y234-T237 PolarHBondContact O-N 3.36Å; F235-T237 PolarHBondContact O-N 2.7Å; T237-L239 PolarHBondContact O-N 3.37Å; T237-E240 WeakPolarHBondContact O-CB 3.03Å; T237-E240 PolarHBondContact O-N 3.1Å; T237-E240 VanDerWaalsContact O-N 3.12Å; T237-V241 WeakPolarHBondContact O-CG2 3.41Å; T237-V241 PolarHBondContact O-N 3.49Å; T237-V241 VanDerWaalsContact O-N 3.09Å
238S53.8Low55.2Low13 Ų1388.2 Ų88.29%0.09144%0.444CS..Hα-helixtrans-61.4-43175.3151.40000112.1D202 Y234 F235 E240 V241 H242D202-S238 PolarHBondContact OD1-OG 3.08Å; D202-S238 VanDerWaalsContact OD1-OG 3.13Å; Y234-S238 PolarHBondContact O-N 3.2Å; F235-S238 PolarHBondContact O-N 3.33Å; S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 PolarHBondContact O-N 3.27Å; S238-V241 WeakPolarHBondContact O-CB 3.24Å; S238-V241 PolarHBondContact O-N 2.79Å; S238-H242 PolarHBondContact O-N 3.32Å; S238-H242 VanDerWaalsContact O-N 3.16Å; S238-H242 PolarHBondContact O-ND1 2.91Å
239L58Low54.9Low8 Ų891 Ų914%0.04246%0.459CS..Hα-helixtrans-62.9-32.2173.1-81.7-177.3000113.4F235 T237 H242 R243 K254F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CD1-CG 4.35Å; F235-L239 HydrophobicContact CD2-CG 4.41Å; F235-L239 HydrophobicContact CE1-CD1 3.1Å; F235-L239 HydrophobicContact CE1-CG 3.77Å; F235-L239 HydrophobicContact CE2-CD1 4.09Å; F235-L239 HydrophobicContact CE2-CD2 4.22Å; F235-L239 HydrophobicContact CE2-CG 3.81Å; F235-L239 HydrophobicContact CZ-CD1 3.2Å; F235-L239 HydrophobicContact CZ-CD2 3.85Å; F235-L239 HydrophobicContact CZ-CG 3.42Å; F235-L239 VanDerWaalsContact CZ-CG 3.42Å; F235-L239 WeakPolarHBondContact O-CB 3.39Å; F235-L239 PolarHBondContact O-N 3.2Å; T237-L239 PolarHBondContact O-N 3.37Å; L239-H242 PolarHBondContact O-N 2.89Å; L239-R243 PolarHBondContact O-N 3.06Å; L239-K254 HydrophobicContact CD1-CG 4.27Å
240E58Low55.3Low109 Ų10989 Ų8951%0.50944%0.441SS..Hα-helixtrans-70.8-34176-88.1-171.8144.200112.4N236 T237 S238 H242 R243N236-E240 WeakPolarHBondContact O-CB 3.45Å; N236-E240 WeakPolarHBondContact O-CG 3.49Å; N236-E240 PolarHBondContact O-N 2.93Å; N236-E240 VanDerWaalsContact O-N 3.09Å; T237-E240 WeakPolarHBondContact O-CB 3.03Å; T237-E240 PolarHBondContact O-N 3.1Å; T237-E240 VanDerWaalsContact O-N 3.12Å; S238-E240 VanDerWaalsContact C-N 3.28Å; S238-E240 PolarHBondContact O-N 3.27Å; E240-H242 VanDerWaalsContact C-N 3.28Å; E240-H242 PolarHBondContact O-N 3.48Å; E240-R243 WeakPolarHBondContact O-CB 3.25Å; E240-R243 PolarHBondContact O-N 3.05Å; E240-R243 IonicContact OE1-NH1 3.58Å
241V54.8Low55.7Low93 Ų9389.2 Ų89.256%0.56446%0.456SS*.Hα-helixtrans-63.9-36.8171176.80000110.7T237 S238 R243T237-V241 WeakPolarHBondContact O-CG2 3.41Å; T237-V241 PolarHBondContact O-N 3.49Å; T237-V241 VanDerWaalsContact O-N 3.09Å; S238-V241 WeakPolarHBondContact O-CB 3.24Å; S238-V241 PolarHBondContact O-N 2.79Å; V241-R243 VanDerWaalsContact C-N 3.3Å; V241-R243 PolarHBondContact O-N 3.32Å
242H54.7Low56.2Low25 Ų2588.9 Ų88.912%0.11645%0.449CS..G310 helixtrans-857.7-178.3-72.570.2000114.9D202 S238 L239 E240 Q244 Y245 L246D202-H242 IonicContact OD1-CE1 2.7Å; D202-H242 PolarHBondContact OD1-CE1 3.39Å; D202-H242 IonicContact OD1-ND1 3.1Å; D202-H242 IonicContact OD1-NE2 3.64Å; D202-H242 IonicContact OD2-CE1 2.78Å; D202-H242 PolarHBondContact OD2-CE1 2.8Å; D202-H242 VanDerWaalsContact OD2-CE1 3.25Å; D202-H242 IonicContact OD2-NE2 2.93Å; S238-H242 PolarHBondContact O-N 3.32Å; S238-H242 VanDerWaalsContact O-N 3.16Å; S238-H242 PolarHBondContact O-ND1 2.91Å; L239-H242 PolarHBondContact O-N 2.89Å; E240-H242 VanDerWaalsContact C-N 3.28Å; E240-H242 PolarHBondContact O-N 3.48Å; H242-Q244 PolarHBondContact O-N 3.48Å; H242-Y245 HydrophobicContact CB-CD2 4.48Å; H242-Y245 AromaticContact CD2-CD2 3.74Å; H242-Y245 PolarHBondContact O-N 2.96Å; H242-L246 PolarHBondContact O-N 3.48Å
243R55.3Low56.8Low147 Ų14783.3 Ų83.356%0.55542%0.419SS*.G310 helixtrans-52.8-25.9172.1-107.8-176.8174.8139.72.9113.7L239 E240 V241L239-R243 PolarHBondContact O-N 3.06Å; E240-R243 WeakPolarHBondContact O-CB 3.25Å; E240-R243 PolarHBondContact O-N 3.05Å; E240-R243 IonicContact OE1-NH1 3.58Å; V241-R243 VanDerWaalsContact C-N 3.3Å; V241-R243 PolarHBondContact O-N 3.32Å
244Q54.2Low57.5Low145 Ų14579.1 Ų79.168%0.67840%0.396SS*.G310 helixtrans-70.4-31.5179.260-175.3-4.100113.8H242H242-Q244 PolarHBondContact O-N 3.48Å
245Y51.8Low58.1Low112 Ų11275.1 Ų75.144%0.43939%0.389SS..THydrogen-bonded Turntrans-86.7-24.6176.9-61.7-74000112.3H242 S247H242-Y245 HydrophobicContact CB-CD2 4.48Å; H242-Y245 AromaticContact CD2-CD2 3.74Å; H242-Y245 PolarHBondContact O-N 2.96Å; Y245-S247 PolarHBondContact O-N 3.26Å
246L55.3Low58.6Low18 Ų1876 Ų769%0.09440%0.396CS..  trans-89.986-178.5-63.6168.5000111.1V205 H242 L253V205-L246 HydrophobicContact CG1-CD2 4.38Å; H242-L246 PolarHBondContact O-N 3.48Å; L246-L253 HydrophobicContact CD2-CD2 3.45Å; L246-L253 VanDerWaalsContact CD2-CD2 3.45Å
247S56.6Low59.1Low102 Ų10272 Ų7271%0.71337%0.374SS*.  trans-104145.9170.887.40000113.8Y245 N249Y245-S247 PolarHBondContact O-N 3.26Å; S247-N249 VanDerWaalsContact C-N 3.28Å; S247-N249 PolarHBondContact O-N 3.34Å
248K53.4Low59.6Low209 Ų20970.4 Ų70.491%0.90937%0.365SS*.SBendtrans58-28.9179.5-77.1-177.6177.2175.70120
249N54.4Low60.3Low82 Ų8276.5 Ų76.544%0.43939%0.392SS..  trans-115.226.1-176.2-89.5-17.1000115.2L212 S247 G251 K252L212-N249 HydrophobicContact CD1-CB 4.26Å; L212-N249 HydrophobicContact CD2-CB 4.08Å; S247-N249 VanDerWaalsContact C-N 3.28Å; S247-N249 PolarHBondContact O-N 3.34Å; N249-G251 PolarHBondContact O-N 2.85Å; N249-K252 PolarHBondContact O-N 3.16Å
250D61.6Low60.6Low54 Ų5476.2 Ų76.229%0.28939%0.391SS..Hα-helixtrans-48.9-36.2-174-165.140.1000114.7K254D250-K254 VanDerWaalsContact O-CB 3.28Å; D250-K254 WeakPolarHBondContact O-CB 3.49Å; D250-K254 WeakPolarHBondContact O-CD 3.32Å; D250-K254 WeakPolarHBondContact O-CG 3.41Å; D250-K254 PolarHBondContact O-N 2.8Å; D250-K254 WeakPolarHBondContact OD1-CD 3.42Å; D250-K254 WeakPolarHBondContact OD1-CE 3.33Å; D250-K254 IonicContact OD1-NZ 3.55Å; D250-K254 PolarHBondContact OD1-NZ 2.92Å; D250-K254 IonicContact OD2-NZ 3.65Å; D250-K254 PolarHBondContact OD2-NZ 2.92Å
251G62.8Low60.7Low57 Ų5773.1 Ų73.159%0.58838%0.376SS*.Hα-helixtrans-73.6-38.2-176.100000114.7N249 S255N249-G251 PolarHBondContact O-N 2.85Å; G251-S255 VanDerWaalsContact O-CB 3.26Å; G251-S255 WeakPolarHBondContact O-CB 3.22Å; G251-S255 PolarHBondContact O-N 3.45Å; G251-S255 PolarHBondContact O-OG 3.1Å
252K65.3Low61.1Low112 Ų11278 Ų7849%0.48739%0.385SS..Hα-helixtrans-74-48.7-173-171179.7175.8-1700110.7N249 S255 V256N249-K252 PolarHBondContact O-N 3.16Å; K252-S255 PolarHBondContact O-N 2.79Å; K252-S255 PolarHBondContact O-OG 2.99Å; K252-V256 WeakPolarHBondContact O-CG2 3.48Å; K252-V256 PolarHBondContact O-N 3.26Å
253L67.3Low61.4Low2 Ų280.2 Ų80.21%0.0140%0.403CS..Hα-helixtrans-63.9-46.7179.5-171.970.4000111.5V208 L212 V216 V219 L246 S255 V256 I257V208-L253 HydrophobicContact CG1-CD1 3.63Å; L212-L253 HydrophobicContact CD1-CB 4.33Å; L212-L253 HydrophobicContact CD1-CD2 4.43Å; V216-L253 HydrophobicContact CG2-CD1 4.32Å; V219-L253 HydrophobicContact CG2-CD1 3.8Å; L246-L253 HydrophobicContact CD2-CD2 3.45Å; L246-L253 VanDerWaalsContact CD2-CD2 3.45Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.87Å; L253-V256 PolarHBondContact O-N 3.32Å; L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD2-CD1 4.36Å; L253-I257 HydrophobicContact CG-CD1 3.88Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 3.43Å
254K66.8Low61.4Low44 Ų4475.9 Ų75.919%0.19139%0.391CS..Hα-helixtrans-56.7-43.8174.8-75.3179.5173.3164.90111.9L239 D250 V256 I257 V258L239-K254 HydrophobicContact CD1-CG 4.27Å; D250-K254 VanDerWaalsContact O-CB 3.28Å; D250-K254 WeakPolarHBondContact O-CB 3.49Å; D250-K254 WeakPolarHBondContact O-CD 3.32Å; D250-K254 WeakPolarHBondContact O-CG 3.41Å; D250-K254 PolarHBondContact O-N 2.8Å; D250-K254 WeakPolarHBondContact OD1-CD 3.42Å; D250-K254 WeakPolarHBondContact OD1-CE 3.33Å; D250-K254 IonicContact OD1-NZ 3.55Å; D250-K254 PolarHBondContact OD1-NZ 2.92Å; D250-K254 IonicContact OD2-NZ 3.65Å; D250-K254 PolarHBondContact OD2-NZ 2.92Å; K254-V256 PolarHBondContact O-N 3.06Å; K254-I257 PolarHBondContact O-N 3.36Å; K254-V258 WeakPolarHBondContact O-CB 3.42Å; K254-V258 WeakPolarHBondContact O-CG2 3.38Å; K254-V258 PolarHBondContact O-N 2.82Å
255S67.3Low61.2Low63 Ų6372.4 Ų72.444%0.44139%0.394SS..Hα-helixtrans-64-39.2178.972.10000113G251 K252 L253 Q259G251-S255 VanDerWaalsContact O-CB 3.26Å; G251-S255 WeakPolarHBondContact O-CB 3.22Å; G251-S255 PolarHBondContact O-N 3.45Å; G251-S255 PolarHBondContact O-OG 3.1Å; K252-S255 PolarHBondContact O-N 2.79Å; K252-S255 PolarHBondContact O-OG 2.99Å; L253-S255 VanDerWaalsContact C-N 3.3Å; L253-S255 PolarHBondContact O-N 2.87Å; S255-Q259 WeakPolarHBondContact O-CB 3.44Å; S255-Q259 PolarHBondContact O-N 2.9Å
256V68.1Low60.8Low34 Ų3475.9 Ų75.921%0.20641%0.412CS..Hα-helixtrans-68.3-44.3178.3172.30000111.1V216 V219 K252 L253 K254 Q259 A260V216-V256 HydrophobicContact CG2-CG2 4.26Å; V219-V256 HydrophobicContact CB-CG1 4.04Å; V219-V256 HydrophobicContact CG1-CG1 4.03Å; K252-V256 WeakPolarHBondContact O-CG2 3.48Å; K252-V256 PolarHBondContact O-N 3.26Å; L253-V256 PolarHBondContact O-N 3.32Å; K254-V256 PolarHBondContact O-N 3.06Å; V256-Q259 PolarHBondContact O-N 3.12Å; V256-A260 WeakPolarHBondContact O-CB 3.19Å; V256-A260 PolarHBondContact O-N 3.28Å
257I66.6Low60.3Low4 Ų484.7 Ų84.72%0.02145%0.452CS..Hα-helixtrans-63.9-47.4178.5-61.9166.7000110.6V205 V219 L223 F235 L253 K254 Q259 A260 M261V205-I257 HydrophobicContact CG2-CD1 4.16Å; V219-I257 HydrophobicContact CG1-CG1 3.62Å; L223-I257 HydrophobicContact CD1-CB 4.17Å; L223-I257 HydrophobicContact CD1-CG1 4.13Å; L223-I257 HydrophobicContact CD1-CG2 3.69Å; F235-I257 HydrophobicContact CE1-CG2 3.95Å; F235-I257 HydrophobicContact CE2-CG2 3.9Å; F235-I257 HydrophobicContact CZ-CB 4.18Å; F235-I257 HydrophobicContact CZ-CG2 3.22Å; L253-I257 HydrophobicContact CD1-CD1 4.38Å; L253-I257 HydrophobicContact CD2-CD1 4.36Å; L253-I257 HydrophobicContact CG-CD1 3.88Å; L253-I257 HydrophobicContact CG-CG1 4.46Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 3.43Å; K254-I257 PolarHBondContact O-N 3.36Å; I257-Q259 VanDerWaalsContact C-N 3.29Å; I257-Q259 PolarHBondContact O-N 2.83Å; I257-A260 PolarHBondContact O-N 3.4Å; I257-M261 WeakPolarHBondContact O-CG 3.28Å; I257-M261 PolarHBondContact O-N 2.9Å
258V66.6Low59.8Low46 Ų4686.1 Ų86.128%0.27945%0.45SS..Hα-helixtrans-62-38177.9171.40000111.5F235 K254 R262F235-V258 HydrophobicContact CE1-CG2 4.3Å; K254-V258 WeakPolarHBondContact O-CB 3.42Å; K254-V258 WeakPolarHBondContact O-CG2 3.38Å; K254-V258 PolarHBondContact O-N 2.82Å; V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 3.08Å
259Q66.9Low59.1Low141 Ų14181 Ų8166%0.65944%0.439SS*.Hα-helixtrans-68.3-42.4177-176.3175.3-12.700112.1S255 V256 I257 M261 R262 S263S255-Q259 WeakPolarHBondContact O-CB 3.44Å; S255-Q259 PolarHBondContact O-N 2.9Å; V256-Q259 PolarHBondContact O-N 3.12Å; I257-Q259 VanDerWaalsContact C-N 3.29Å; I257-Q259 PolarHBondContact O-N 2.83Å; Q259-M261 VanDerWaalsContact C-N 3.33Å; Q259-M261 PolarHBondContact O-N 2.8Å; Q259-R262 PolarHBondContact O-N 3.18Å; Q259-S263 PolarHBondContact O-N 2.78Å; Q259-S263 PolarHBondContact O-OG 2.82Å
260A64.6Low58.5Low2 Ų283.2 Ų83.22%0.01746%0.457CS..Hα-helixtrans-64.5-35.5178.300000112.5L223 V256 I257 S263L223-A260 HydrophobicContact CD1-CB 4.14Å; V256-A260 WeakPolarHBondContact O-CB 3.19Å; V256-A260 PolarHBondContact O-N 3.28Å; I257-A260 PolarHBondContact O-N 3.4Å; A260-S263 WeakPolarHBondContact CA-OG 3.36Å; A260-S263 PolarHBondContact O-N 2.78Å; A260-S263 PolarHBondContact O-OG 3.46Å
261M61.3Low57.8Low43 Ų4383.1 Ų83.121%0.21246%0.461CS..Hα-helixtrans-66.8-43.2174.9-73.1-60104.100112.4L223 L228 I257 Q259 S263 N264L223-M261 HydrophobicContact CB-CE 3.55Å; L223-M261 HydrophobicContact CD1-CE 3.95Å; L223-M261 HydrophobicContact CD2-CE 4.16Å; L223-M261 HydrophobicContact CG-CE 4.09Å; L228-M261 HydrophobicContact CB-SD 4.19Å; L228-M261 HydrophobicContact CD1-CE 3.36Å; L228-M261 HydrophobicContact CD1-SD 3.66Å; I257-M261 WeakPolarHBondContact O-CG 3.28Å; I257-M261 PolarHBondContact O-N 2.9Å; Q259-M261 VanDerWaalsContact C-N 3.33Å; Q259-M261 PolarHBondContact O-N 2.8Å; M261-S263 PolarHBondContact O-N 2.83Å; M261-N264 WeakPolarHBondContact O-CB 3.31Å; M261-N264 PolarHBondContact O-N 2.82Å; M261-N264 VanDerWaalsContact O-N 3.08Å
262R63.5Low56.9Low197 Ų19790.9 Ų90.974%0.74347%0.472SS*.Hα-helixtrans-63.5-25.2178.5-72175.3-178.9179.52.1113.1V258 Q259V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 3.08Å; Q259-R262 PolarHBondContact O-N 3.18Å
263S59.4Low56.3Low70 Ų7091 Ų9149%0.4947%0.473SS..Hα-helixtrans-82.1-14.2175.749.50000114.5H224 Q259 A260 M261 G265H224-S263 PolarHBondContact CE1-OG 3.24Å; H224-S263 PolarHBondContact NE2-OG 2.7Å; Q259-S263 PolarHBondContact O-N 2.78Å; Q259-S263 PolarHBondContact O-OG 2.82Å; A260-S263 WeakPolarHBondContact CA-OG 3.36Å; A260-S263 PolarHBondContact O-N 2.78Å; A260-S263 PolarHBondContact O-OG 3.46Å; M261-S263 PolarHBondContact O-N 2.83Å; S263-G265 PolarHBondContact O-N 3.43Å
264N56.8Low55.7Low56 Ų5694.1 Ų94.130%0.29949%0.489SS..THydrogen-bonded Turntrans-76.60.8-179-117.611.9000114.1H224 M261 K266H224-N264 PolarHBondContact CD2-OD1 2.87Å; M261-N264 WeakPolarHBondContact O-CB 3.31Å; M261-N264 PolarHBondContact O-N 2.82Å; M261-N264 VanDerWaalsContact O-N 3.08Å; N264-K266 VanDerWaalsContact C-N 3.32Å; N264-K266 PolarHBondContact O-N 3.2Å
265G48.6Very low55.8Low73 Ų7392.7 Ų92.775%0.75348%0.484SS*.  trans-7949.6-174.600000116.7S263S263-G265 PolarHBondContact O-N 3.43Å
266K42.9Very low56.6Low185 Ų18589.8 Ų89.880%0.80446%0.464SS*.SBendtrans-129129.8166.6-78.9-170.4177.7179.60112.2N264 I268N264-K266 VanDerWaalsContact C-N 3.32Å; N264-K266 PolarHBondContact O-N 3.2Å; K266-I268 PolarHBondContact O-N 3.22Å
267E46.3Very low57.7Low203 Ų20389 Ų8995%0.94946%0.46SS*.  trans-46.3120.2179.2-65175.915300113
268I44.6Very low59.1Low132 Ų13288.8 Ų88.868%0.67746%0.459SS*.  trans-133.5141.9171.6-62.6171000107K266K266-I268 PolarHBondContact O-N 3.22Å
269P40.3Very low60.5Low102 Ų10287 Ų8766%0.66245%0.447SS*.  trans-60.8158.5-174.7-15.228.6000111.7S271P269-S271 PolarHBondContact O-N 3.01Å
270P42.1Very low62Low128 Ų12880.5 Ų80.583%0.83142%0.417SS*.  trans-58.8111.7178.425-32000108.9R272P270-R272 PolarHBondContact O-N 3.07Å
271S45.4Very low63.6Low51 Ų5180.4 Ų80.436%0.35742%0.416SS..  trans-62.6127.1171.357.50000107.2P269 K273P269-S271 PolarHBondContact O-N 3.01Å; S271-K273 VanDerWaalsContact C-N 3.29Å; S271-K273 PolarHBondContact O-N 2.95Å
272R45Very low65.2Low221 Ų22178.6 Ų78.683%0.83441%0.408SS*.  trans-65.993.9172.9-79.6176.6173.3157.9-4107.2Q190 P270 I274Q190-R272 PolarHBondContact OE1-O 2.88Å; P270-R272 PolarHBondContact O-N 3.07Å; R272-I274 PolarHBondContact O-N 2.96Å
273K52.2Low66.7Low115 Ų11569.3 Ų69.350%0.537%0.374SS..  trans-60115.6172.2-58.5179.8175.3-169.80107.2S271 S275 V298S271-K273 VanDerWaalsContact C-N 3.29Å; S271-K273 PolarHBondContact O-N 2.95Å; K273-S275 VanDerWaalsContact C-N 3.33Å; K273-S275 PolarHBondContact O-N 3.05Å; K273-S275 VanDerWaalsContact O-N 3.1Å; K273-V298 HydrophobicContact CB-CB 4.48Å; K273-V298 HydrophobicContact CB-CG1 3.98Å; K273-V298 HydrophobicContact CB-CG2 3.88Å; K273-V298 WeakPolarHBondContact O-CB 3.48Å; K273-V298 WeakPolarHBondContact O-CG1 3.4Å
274I55Low68.4Low66 Ų6668.3 Ų68.334%0.33836%0.36SS..  trans-8091172.1-66.4165.3000105.6S191 R272S191-I274 WeakPolarHBondContact CA-O 3.17Å; R272-I274 PolarHBondContact O-N 2.96Å
275S68.1Low70.2Confident14 Ų1469.6 Ų69.610%0.09836%0.361CS..PPolyproline II helixtrans-76.6158.7174.444.60000111.9K273 S277 D296 P297 V298K273-S275 VanDerWaalsContact C-N 3.33Å; K273-S275 PolarHBondContact O-N 3.05Å; K273-S275 VanDerWaalsContact O-N 3.1Å; S275-S277 PolarHBondContact O-N 3.48Å; S275-D296 PolarHBondContact OG-OD1 2.92Å; S275-P297 WeakPolarHBondContact OG-CD 3.3Å; S275-P297 WeakPolarHBondContact OG-CG 3.45Å; S275-V298 WeakPolarHBondContact OG-CG2 3.46Å; S275-V298 PolarHBondContact OG-N 3.13Å
276P85.3Confident72.3Confident3 Ų374.3 Ų74.32%0.01936%0.356CS..PPolyproline II helixtrans-46.1133.1162.910.9-23.2000111.1P297 I509 C557 V558P276-P297 VanDerWaalsContact O-CD 3.29Å; P276-P297 WeakPolarHBondContact O-CD 3.27Å; P276-P297 WeakPolarHBondContact O-CG 3.4Å; P276-I509 HydrophobicContact CB-CG2 4.3Å; P276-I509 HydrophobicContact CG-CG2 3.85Å; P276-C557 WeakPolarHBondContact CB-SG 3.28Å; P276-V558 WeakPolarHBondContact CA-O 3.44Å
277S90.3Very high74.6Confident16 Ų1670.5 Ų70.511%0.11234%0.341CS..EExtended strand (participates in β ladder)trans-97142.1-177.8-61.60000110.4S275 W295 V558S275-S277 PolarHBondContact O-N 3.48Å; S277-W295 WeakPolarHBondContact CA-O 3.33Å; S277-V558 PolarHBondContact N-O 3.06Å; S277-V558 PolarHBondContact O-N 2.73Å
278M95.1Very high76.9Confident0 Ų062.1 Ų62.10%030%0.304CS..EExtended strand (participates in β ladder)trans-88.5125.5173.5-171.3-173.8-62.600109.8I280 I294 W295 V507 I509 Y514 T516M278-I280 HydrophobicContact CG-CD1 4.24Å; M278-I280 HydrophobicContact SD-CD1 3.98Å; M278-I294 CarbonylContact O-C 3.41Å; M278-I294 WeakPolarHBondContact O-CA 3.2Å; M278-W295 HydrophobicContact CB-CB 4.3Å; M278-W295 HydrophobicContact CB-CE3 4.02Å; M278-W295 HydrophobicContact CE-CE3 3.91Å; M278-W295 HydrophobicContact CE-CZ3 3.94Å; M278-W295 PolarHBondContact N-O 3.34Å; M278-W295 PolarHBondContact O-N 3.33Å; M278-W295 HydrophobicContact SD-CE3 4.41Å; M278-V507 HydrophobicContact CE-CG1 3.76Å; M278-V507 HydrophobicContact CG-CG1 4.12Å; M278-V507 HydrophobicContact SD-CG1 4.31Å; M278-I509 HydrophobicContact CB-CD1 3.81Å; M278-I509 HydrophobicContact CE-CD1 3.46Å; M278-I509 VanDerWaalsContact CE-CD1 3.46Å; M278-I509 HydrophobicContact CG-CD1 4.32Å; M278-Y514 VanDerWaalsContact CE-CB 3.45Å; M278-Y514 HydrophobicContact CE-CD1 4.03Å; M278-Y514 HydrophobicContact CE-CG 3.81Å; M278-T516 HydrophobicContact CE-CG2 4.14Å; M278-T516 HydrophobicContact SD-CG2 3.51Å; M278-T516 VanDerWaalsContact SD-CG2 3.51Å
279Y97.4Very high79.3Confident10 Ų1056.2 Ų56.24%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-103.1125.5174.4-77.9-113.9000109.6V292 H293 I294 I325 Y345 C347 C555 V556 V558Y279-V292 HydrophobicContact CD1-CG1 4.17Å; Y279-H293 CarbonylContact C-O 3.5Å; Y279-H293 WeakPolarHBondContact CA-O 3.48Å; Y279-I294 HydrophobicContact CD1-CD1 4.24Å; Y279-I294 HydrophobicContact CD1-CG1 3.76Å; Y279-I294 HydrophobicContact CD2-CG2 4.18Å; Y279-I294 HydrophobicContact CE1-CD1 3.44Å; Y279-I294 VanDerWaalsContact CE1-CD1 3.44Å; Y279-I294 HydrophobicContact CE1-CG1 3.47Å; Y279-I294 VanDerWaalsContact CE1-CG1 3.47Å; Y279-I294 HydrophobicContact CE1-CG2 4.36Å; Y279-I294 HydrophobicContact CE2-CG1 4.37Å; Y279-I294 HydrophobicContact CE2-CG2 3.73Å; Y279-I294 HydrophobicContact CG-CG1 4.34Å; Y279-I325 HydrophobicContact CD1-CD1 3.83Å; Y279-I325 HydrophobicContact CG-CD1 3.96Å; Y279-Y345 HydrophobicContact CD1-CE1 4.16Å; Y279-Y345 AromaticContact CE1-CE1 3.79Å; Y279-Y345 HydrophobicContact CE1-CE1 3.79Å; Y279-C347 HydrophobicContact CE1-CB 4.38Å; Y279-C555 WeakPolarHBondContact O-CA 3.44Å; Y279-V556 PolarHBondContact N-O 2.98Å; Y279-V556 PolarHBondContact O-N 2.84Å; Y279-V558 HydrophobicContact CD2-CB 3.68Å; Y279-V558 HydrophobicContact CD2-CG2 3.34Å; Y279-V558 HydrophobicContact CE2-CB 3.5Å; Y279-V558 HydrophobicContact CE2-CG1 4.07Å; Y279-V558 HydrophobicContact CE2-CG2 3.59Å; Y279-V558 HydrophobicContact CG-CG2 3.94Å
280I97.8Very high82Confident4 Ų452.4 Ų52.42%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-106.7119.3172.6-57.5-62.1000108M278 V292 H293 W302 T516 L546 H553 G554 C555M278-I280 HydrophobicContact CG-CD1 4.24Å; M278-I280 HydrophobicContact SD-CD1 3.98Å; I280-V292 WeakPolarHBondContact O-CA 3.27Å; I280-H293 HydrophobicContact CB-CB 4.26Å; I280-H293 PolarHBondContact N-O 3.12Å; I280-H293 PolarHBondContact O-N 2.91Å; I280-W302 HydrophobicContact CB-CZ3 4.44Å; I280-W302 HydrophobicContact CG1-CH2 3.71Å; I280-W302 HydrophobicContact CG1-CZ3 3.86Å; I280-T516 HydrophobicContact CD1-CG2 4.39Å; I280-L546 HydrophobicContact CD1-CD2 4.1Å; I280-L546 HydrophobicContact CG1-CD2 3.92Å; I280-H553 HydrophobicContact CG2-CB 4.18Å; I280-G554 CarbonylContact C-O 3.52Å; I280-G554 VanDerWaalsContact CA-O 3.29Å; I280-G554 WeakPolarHBondContact CA-O 3.18Å; I280-C555 HydrophobicContact CD1-CB 4.17Å
281I97.4Very high84.6Confident0 Ų049 Ų490%022%0.222CC..EExtended strand (participates in β ladder)trans-114.7102.8-174.2-49.7-63.2000109.6G283 V292 Y316 V318 I325 V327 W352 G554I281-G283 PolarHBondContact O-N 3.27Å; I281-V292 HydrophobicContact CD1-CB 4.21Å; I281-V292 HydrophobicContact CD1-CG1 3.69Å; I281-V292 HydrophobicContact CD1-CG2 3.76Å; I281-Y316 PolarHBondContact O-OH 3.12Å; I281-V318 HydrophobicContact CB-CG2 4.39Å; I281-V318 HydrophobicContact CG1-CG1 4.26Å; I281-I325 HydrophobicContact CD1-CD1 4.2Å; I281-I325 HydrophobicContact CG1-CG2 4.25Å; I281-V327 HydrophobicContact CG2-CG2 4.03Å; I281-W352 HydrophobicContact CG2-CH2 4.23Å; I281-G554 PolarHBondContact N-O 3.39Å; I281-G554 PolarHBondContact O-N 3.47Å
282G95.9Very high87.1Confident5 Ų546.6 Ų46.65%0.05221%0.205CC..EExtended strand (participates in β ladder)trans54.6-126.7176.200000114.3L289 E291 Y316 T550 H553G282-L289 WeakPolarHBondContact CA-O 3.5Å; G282-E291 PolarHBondContact N-O 2.7Å; G282-Y316 WeakPolarHBondContact CA-OH 3.36Å; G282-T550 PolarHBondContact O-OG1 2.97Å; G282-H553 WeakPolarHBondContact O-CB 3Å
283G94.9Very high89.5Confident2 Ų237.2 Ų37.22%0.02117%0.171CC..EExtended strand (participates in β ladder)trans112.5-147.5-177.100000112.3I281 L289 Y316 R551I281-G283 PolarHBondContact O-N 3.27Å; G283-L289 PolarHBondContact O-N 3.09Å; G283-Y316 PolarHBondContact N-OH 3.1Å; G283-R551 CarbonylContact C-O 3.55Å; G283-R551 WeakPolarHBondContact CA-O 3.37Å
284Y94.8Very high91.6Very high49 Ų4933.1 Ų33.119%0.19215%0.154CC..EExtended strand (participates in β ladder)trans-141.9126.1-176.2-170.3-82.4000111.9W286 P288 E314 Y526 T550 R551Y284-W286 PolarHBondContact OH-O 2.7Å; Y284-P288 HydrophobicContact CD2-CG 4.49Å; Y284-E314 HydrophobicContact CD2-CB 4.5Å; Y284-E314 VanDerWaalsContact CD2-OE2 3.29Å; Y284-E314 WeakPolarHBondContact CD2-OE2 3.42Å; Y284-E314 WeakPolarHBondContact CE2-OE2 3.46Å; Y284-Y526 HydrophobicContact CD1-CE1 4.05Å; Y284-Y526 WeakPolarHBondContact CE1-OH 3.43Å; Y284-T550 PolarHBondContact N-OG1 3.17Å; Y284-R551 VanDerWaalsContact CD1-NH2 3.31Å; Y284-R551 PolarHBondContact N-O 3.43Å; Y284-R551 PolarHBondContact O-N 3.12Å
285Y94.8Very high93.5Very high83 Ų8330.2 Ų30.233%0.32514%0.139SC..SBendtrans-141.285172.5179-121.4000110.7H287 Y526 P549Y285-H287 CarbonylContact C-O 3.59Å; Y285-H287 PolarHBondContact N-O 3.38Å; Y285-H287 PolarHBondContact O-CE1 3.06Å; Y285-H287 PolarHBondContact O-N 3.49Å; Y285-H287 PolarHBondContact O-ND1 2.8Å; Y285-Y526 HydrophobicContact CD2-CD1 4.36Å; Y285-Y526 AromaticContact CD2-CD2 3.82Å; Y285-Y526 HydrophobicContact CD2-CD2 3.82Å; Y285-Y526 HydrophobicContact CD2-CE2 4.41Å; Y285-Y526 AromaticContact CD2-CG 3.81Å; Y285-Y526 HydrophobicContact CD2-CG 3.81Å; Y285-Y526 AromaticContact CE2-CD2 3.95Å; Y285-Y526 HydrophobicContact CE2-CD2 3.95Å; Y285-Y526 HydrophobicContact CE2-CG 4.24Å; Y285-P549 VanDerWaalsContact CB-O 3.27Å; Y285-P549 WeakPolarHBondContact CB-O 3.41Å; Y285-P549 HydrophobicContact CD2-CB 4.06Å; Y285-P549 WeakPolarHBondContact CD2-O 3.09Å; Y285-P549 HydrophobicContact CE2-CB 3.99Å; Y285-P549 HydrophobicContact CE2-CG 4.23Å
286W92.1Very high94.5Very high172 Ų17231.2 Ų31.265%0.65214%0.143SC*.SBendtrans62.2-20.4-169.2-55.7105.4000115.8Y284 Y526Y284-W286 PolarHBondContact OH-O 2.7Å; W286-Y526 AromaticContact CD2-CE2 3.99Å; W286-Y526 HydrophobicContact CD2-CE2 3.99Å; W286-Y526 AromaticContact CE2-CE2 3.63Å; W286-Y526 HydrophobicContact CE3-CE2 4.45Å; W286-Y526 HydrophobicContact CG-CE2 4.44Å; W286-Y526 HydrophobicContact CH2-CE2 4.31Å; W286-Y526 HydrophobicContact CZ2-CD2 4.41Å; W286-Y526 AromaticContact CZ2-CE2 3.82Å; W286-Y526 HydrophobicContact CZ2-CE2 3.82Å; W286-Y526 AromaticContact NE1-CE2 3.88Å
287H92.5Very high94.4Very high104 Ų10432.4 Ų32.448%0.48115%0.151SC..SBendtrans-145.9160.2172.755.3-68.6000108.3Y285Y285-H287 CarbonylContact C-O 3.59Å; Y285-H287 PolarHBondContact N-O 3.38Å; Y285-H287 PolarHBondContact O-CE1 3.06Å; Y285-H287 PolarHBondContact O-N 3.49Å; Y285-H287 PolarHBondContact O-ND1 2.8Å
288P94.3Very high93.9Very high27 Ų2735 Ų3518%0.17517%0.166CC..EExtended strand (participates in β ladder)trans-60.7141.4172.8-19.832.3000111.2Y284 E314Y284-P288 HydrophobicContact CD2-CG 4.49Å; P288-E314 HydrophobicContact CB-CB 4.3Å; P288-E314 HydrophobicContact CG-CB 4.17Å
289L95.4Very high93.3Very high9 Ų937.7 Ų37.75%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-107.5151.7177.3-62.3179.1000109.7G282 G283 E291G282-L289 WeakPolarHBondContact CA-O 3.5Å; G283-L289 PolarHBondContact O-N 3.09Å; L289-E291 WeakPolarHBondContact CB-OE2 3.24Å
290C95.6Very high92.9Very high21 Ų2141.4 Ų41.414%0.14221%0.205CC..EExtended strand (participates in β ladder)trans-131.4-5.7-177.4670000113.6M308 P311C290-M308 HydrophobicContact CB-CB 4.13Å; C290-M308 HydrophobicContact CB-CE 4.39Å; C290-M308 WeakPolarHBondContact O-CB 3.28Å; C290-M308 PolarHBondContact O-N 2.85Å; C290-P311 HydrophobicContact CB-CB 4.01Å
291E96.7Very high92.6Very high57 Ų5744.5 Ų44.527%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-65.7142.1-177-6188.4156.300111G282 L289 D307G282-E291 PolarHBondContact N-O 2.7Å; L289-E291 WeakPolarHBondContact CB-OE2 3.24Å; E291-D307 WeakPolarHBondContact CA-OD1 3.41Å
292V97.6Very high92.5Very high0 Ų047.8 Ų47.80%024%0.237CC..EExtended strand (participates in β ladder)trans-105.4117.7170.9174.50000108Y279 I280 I281 I294 Q304 G305 K306 Y345 W352Y279-V292 HydrophobicContact CD1-CG1 4.17Å; I280-V292 WeakPolarHBondContact O-CA 3.27Å; I281-V292 HydrophobicContact CD1-CB 4.21Å; I281-V292 HydrophobicContact CD1-CG1 3.69Å; I281-V292 HydrophobicContact CD1-CG2 3.76Å; V292-I294 HydrophobicContact CG1-CG1 4.44Å; V292-Q304 WeakPolarHBondContact O-CA 3.39Å; V292-G305 PolarHBondContact O-N 3.44Å; V292-K306 WeakPolarHBondContact CG2-O 3.05Å; V292-Y345 HydrophobicContact CG1-CE1 4.34Å; V292-W352 HydrophobicContact CG2-CZ2 3.78Å
293H97.4Very high92.5Very high25 Ų2551.6 Ų51.612%0.11626%0.259CS..EExtended strand (participates in β ladder)trans-116.4131.3177.8-65-63.5000110.8Y279 I280 W302 P547Y279-H293 CarbonylContact C-O 3.5Å; Y279-H293 WeakPolarHBondContact CA-O 3.48Å; I280-H293 HydrophobicContact CB-CB 4.26Å; I280-H293 PolarHBondContact N-O 3.12Å; I280-H293 PolarHBondContact O-N 2.91Å; H293-W302 HydrophobicContact CB-CE3 3.61Å; H293-W302 HydrophobicContact CB-CZ3 3.55Å; H293-P547 HydrophobicContact CB-CG 4.24Å
294I96.1Very high92.5Very high28 Ų2857 Ų5714%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-114.8120.3-176.3-50.3173000107.4M278 Y279 V292 W302 V303M278-I294 CarbonylContact O-C 3.41Å; M278-I294 WeakPolarHBondContact O-CA 3.2Å; Y279-I294 HydrophobicContact CD1-CD1 4.24Å; Y279-I294 HydrophobicContact CD1-CG1 3.76Å; Y279-I294 HydrophobicContact CD2-CG2 4.18Å; Y279-I294 HydrophobicContact CE1-CD1 3.44Å; Y279-I294 VanDerWaalsContact CE1-CD1 3.44Å; Y279-I294 HydrophobicContact CE1-CG1 3.47Å; Y279-I294 VanDerWaalsContact CE1-CG1 3.47Å; Y279-I294 HydrophobicContact CE1-CG2 4.36Å; Y279-I294 HydrophobicContact CE2-CG1 4.37Å; Y279-I294 HydrophobicContact CE2-CG2 3.73Å; Y279-I294 HydrophobicContact CG-CG1 4.34Å; V292-I294 HydrophobicContact CG1-CG1 4.44Å; I294-W302 CarbonylContact O-C 3.52Å; I294-W302 VanDerWaalsContact O-CA 3.3Å; I294-W302 WeakPolarHBondContact O-CA 3.49Å; I294-V303 HydrophobicContact CB-CB 4.46Å; I294-V303 PolarHBondContact N-O 2.82Å; I294-V303 PolarHBondContact O-N 3.32Å
295W94.9Very high92.6Very high6 Ų655.1 Ų55.12%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-110127.3177.5-178.367.6000110.9S277 M278 P297 N300 T301 W302 Y514 V543S277-W295 WeakPolarHBondContact CA-O 3.33Å; M278-W295 HydrophobicContact CB-CB 4.3Å; M278-W295 HydrophobicContact CB-CE3 4.02Å; M278-W295 HydrophobicContact CE-CE3 3.91Å; M278-W295 HydrophobicContact CE-CZ3 3.94Å; M278-W295 PolarHBondContact N-O 3.34Å; M278-W295 PolarHBondContact O-N 3.33Å; M278-W295 HydrophobicContact SD-CE3 4.41Å; W295-P297 HydrophobicContact CE3-CB 4.15Å; W295-P297 HydrophobicContact CE3-CG 4.43Å; W295-P297 HydrophobicContact CH2-CB 3.56Å; W295-P297 HydrophobicContact CZ2-CB 4.2Å; W295-P297 HydrophobicContact CZ3-CB 3.53Å; W295-P297 HydrophobicContact CZ3-CG 4.14Å; W295-P297 WeakPolarHBondContact O-CD 3.44Å; W295-N300 PolarHBondContact NE1-OD1 2.84Å; W295-T301 WeakPolarHBondContact CA-O 3.19Å; W295-W302 HydrophobicContact CB-CD2 3.81Å; W295-W302 HydrophobicContact CB-CE3 3.64Å; W295-W302 HydrophobicContact CB-CH2 3.53Å; W295-W302 HydrophobicContact CB-CZ2 3.67Å; W295-W302 HydrophobicContact CB-CZ3 3.53Å; W295-W302 AromaticContact CD1-CD1 3.86Å; W295-W302 AromaticContact CD1-CD2 3.88Å; W295-W302 AromaticContact CD1-CE2 3.46Å; W295-W302 VanDerWaalsContact CD1-CE2 3.46Å; W295-W302 AromaticContact CD1-CZ2 3.86Å; W295-W302 AromaticContact CD1-NE1 3.46Å; W295-W302 HydrophobicContact CG-CD2 4.19Å; W295-W302 AromaticContact CG-CE2 3.81Å; W295-W302 HydrophobicContact CG-CE3 4.49Å; W295-W302 HydrophobicContact CG-CH2 4.16Å; W295-W302 AromaticContact CG-CZ2 3.79Å; W295-W302 HydrophobicContact CG-CZ2 3.79Å; W295-Y514 HydrophobicContact CH2-CD1 4.24Å; W295-Y514 AromaticContact CH2-CE1 3.75Å; W295-Y514 HydrophobicContact CH2-CE1 3.75Å; W295-Y514 HydrophobicContact CZ3-CD1 4.01Å; W295-Y514 AromaticContact CZ3-CE1 3.81Å; W295-Y514 HydrophobicContact CZ3-CE1 3.81Å; W295-V543 HydrophobicContact CH2-CG2 4.45Å
296D88.3Confident92.7Very high34 Ų3456.3 Ų56.318%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-95.2113.7169.817217.9000109.5S275 V298 S299 N300 T301S275-D296 PolarHBondContact OG-OD1 2.92Å; D296-V298 VanDerWaalsContact C-N 3.27Å; D296-V298 PolarHBondContact O-N 2.83Å; D296-V298 PolarHBondContact OD1-N 3.49Å; D296-S299 WeakPolarHBondContact CB-OG 3.4Å; D296-S299 VanDerWaalsContact CG-OG 3.26Å; D296-S299 WeakPolarHBondContact OD2-CB 3.49Å; D296-S299 PolarHBondContact OD2-N 3.28Å; D296-S299 PolarHBondContact OD2-OG 2.74Å; D296-N300 WeakPolarHBondContact O-CA 3.43Å; D296-N300 PolarHBondContact O-N 3.12Å; D296-T301 PolarHBondContact N-O 3.44Å; D296-T301 PolarHBondContact O-N 3.04Å
297P83.4Confident93Very high28 Ų2851.5 Ų51.518%0.18227%0.273CS..THydrogen-bonded Turntrans-64.5-27.4-179.513.2-17.5000113.9S275 P276 W295 I509S275-P297 WeakPolarHBondContact OG-CD 3.3Å; S275-P297 WeakPolarHBondContact OG-CG 3.45Å; P276-P297 VanDerWaalsContact O-CD 3.29Å; P276-P297 WeakPolarHBondContact O-CD 3.27Å; P276-P297 WeakPolarHBondContact O-CG 3.4Å; W295-P297 HydrophobicContact CE3-CB 4.15Å; W295-P297 HydrophobicContact CE3-CG 4.43Å; W295-P297 HydrophobicContact CH2-CB 3.56Å; W295-P297 HydrophobicContact CZ2-CB 4.2Å; W295-P297 HydrophobicContact CZ3-CB 3.53Å; W295-P297 HydrophobicContact CZ3-CG 4.14Å; W295-P297 WeakPolarHBondContact O-CD 3.44Å; P297-I509 HydrophobicContact CG-CG2 3.97Å
298V79.9Confident93.2Very high70 Ų7046.9 Ų46.942%0.42425%0.252SS..THydrogen-bonded Turntrans-77.5-51.5-178.1167.30000111.1K273 S275 D296 N300K273-V298 HydrophobicContact CB-CB 4.48Å; K273-V298 HydrophobicContact CB-CG1 3.98Å; K273-V298 HydrophobicContact CB-CG2 3.88Å; K273-V298 WeakPolarHBondContact O-CB 3.48Å; K273-V298 WeakPolarHBondContact O-CG1 3.4Å; S275-V298 WeakPolarHBondContact OG-CG2 3.46Å; S275-V298 PolarHBondContact OG-N 3.13Å; D296-V298 VanDerWaalsContact C-N 3.27Å; D296-V298 PolarHBondContact O-N 2.83Å; D296-V298 PolarHBondContact OD1-N 3.49Å; V298-N300 VanDerWaalsContact C-N 3.27Å
299S83.1Confident93.2Very high57 Ų5749.9 Ų49.940%0.39927%0.271SS..THydrogen-bonded Turntrans-78.9-14.5177.267.20000113.1D296 T301D296-S299 WeakPolarHBondContact CB-OG 3.4Å; D296-S299 VanDerWaalsContact CG-OG 3.26Å; D296-S299 WeakPolarHBondContact OD2-CB 3.49Å; D296-S299 PolarHBondContact OD2-N 3.28Å; D296-S299 PolarHBondContact OD2-OG 2.74Å; S299-T301 VanDerWaalsContact C-N 3.27Å; S299-T301 WeakPolarHBondContact O-CG2 3.18Å; S299-T301 PolarHBondContact O-N 2.77Å; S299-T301 PolarHBondContact OG-OG1 3.35Å
300N87.9Confident93Very high88 Ų8851.1 Ų51.147%0.47128%0.278SS..THydrogen-bonded Turntrans52.344.9-171.4-16721.8000112.1W295 D296 V298W295-N300 PolarHBondContact NE1-OD1 2.84Å; D296-N300 WeakPolarHBondContact O-CA 3.43Å; D296-N300 PolarHBondContact O-N 3.12Å; V298-N300 VanDerWaalsContact C-N 3.27Å
301T91.3Very high92.7Very high70 Ų7053.8 Ų53.843%0.42930%0.295SS..EExtended strand (participates in β ladder)trans-118.6152.2-179.964.20000111.8W295 D296 S299W295-T301 WeakPolarHBondContact CA-O 3.19Å; D296-T301 PolarHBondContact N-O 3.44Å; D296-T301 PolarHBondContact O-N 3.04Å; S299-T301 VanDerWaalsContact C-N 3.27Å; S299-T301 WeakPolarHBondContact O-CG2 3.18Å; S299-T301 PolarHBondContact O-N 2.77Å; S299-T301 PolarHBondContact OG-OG1 3.35Å
302W95.4Very high92.4Very high69 Ų6952.3 Ų52.326%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-109.5136.3176.2-73.696.4000110.4I280 H293 I294 W295 I530 T545 L546 P547I280-W302 HydrophobicContact CB-CZ3 4.44Å; I280-W302 HydrophobicContact CG1-CH2 3.71Å; I280-W302 HydrophobicContact CG1-CZ3 3.86Å; H293-W302 HydrophobicContact CB-CE3 3.61Å; H293-W302 HydrophobicContact CB-CZ3 3.55Å; I294-W302 CarbonylContact O-C 3.52Å; I294-W302 VanDerWaalsContact O-CA 3.3Å; I294-W302 WeakPolarHBondContact O-CA 3.49Å; W295-W302 HydrophobicContact CB-CD2 3.81Å; W295-W302 HydrophobicContact CB-CE3 3.64Å; W295-W302 HydrophobicContact CB-CH2 3.53Å; W295-W302 HydrophobicContact CB-CZ2 3.67Å; W295-W302 HydrophobicContact CB-CZ3 3.53Å; W295-W302 AromaticContact CD1-CD1 3.86Å; W295-W302 AromaticContact CD1-CD2 3.88Å; W295-W302 AromaticContact CD1-CE2 3.46Å; W295-W302 VanDerWaalsContact CD1-CE2 3.46Å; W295-W302 AromaticContact CD1-CZ2 3.86Å; W295-W302 AromaticContact CD1-NE1 3.46Å; W295-W302 HydrophobicContact CG-CD2 4.19Å; W295-W302 AromaticContact CG-CE2 3.81Å; W295-W302 HydrophobicContact CG-CE3 4.49Å; W295-W302 HydrophobicContact CG-CH2 4.16Å; W295-W302 AromaticContact CG-CZ2 3.79Å; W295-W302 HydrophobicContact CG-CZ2 3.79Å; W302-I530 HydrophobicContact CZ2-CD1 3.81Å; W302-T545 PolarHBondContact NE1-O 2.91Å; W302-T545 VanDerWaalsContact NE1-O 3.12Å; W302-L546 HydrophobicContact CH2-CD2 3.53Å; W302-L546 HydrophobicContact CZ2-CD2 3.77Å; W302-P547 HydrophobicContact CB-CG 4.31Å; W302-P547 HydrophobicContact CD2-CG 3.65Å; W302-P547 HydrophobicContact CE3-CG 3.83Å; W302-P547 HydrophobicContact CG-CG 3.88Å; W302-P547 HydrophobicContact CZ3-CG 4.38Å
303V95.2Very high92.2Very high85 Ų8552.3 Ų52.352%0.51530%0.295SS..EExtended strand (participates in β ladder)trans-122.5137.4171.2179.70000108.3I294I294-V303 HydrophobicContact CB-CB 4.46Å; I294-V303 PolarHBondContact N-O 2.82Å; I294-V303 PolarHBondContact O-N 3.32Å
304Q96.7Very high92.1Very high115 Ų11552.1 Ų52.154%0.53730%0.295SS..EExtended strand (participates in β ladder)trans-87.8125.7172-178.3170.7-0.500109.1V292 D307V292-Q304 WeakPolarHBondContact O-CA 3.39Å; Q304-D307 PolarHBondContact NE2-OD1 2.95Å
305G96.4Very high92Very high9 Ų951.2 Ų51.29%0.09329%0.29CS..  trans-90-171.6168.700000111.5V292 D307V292-G305 PolarHBondContact O-N 3.44Å; G305-D307 PolarHBondContact O-N 2.89Å
306K97.4Very high92.1Very high109 Ų10951.7 Ų51.747%0.47429%0.292SS..PPolyproline II helixtrans-70.8128.4178.8-169.7174.5-176.6172.70111.6V292 Y345 D350 W352V292-K306 WeakPolarHBondContact CG2-O 3.05Å; K306-Y345 HydrophobicContact CB-CE2 4.28Å; K306-D350 WeakPolarHBondContact CB-OD1 3.41Å; K306-D350 WeakPolarHBondContact CD-O 3.43Å; K306-D350 PolarHBondContact N-OD1 3.48Å; K306-W352 PolarHBondContact O-NE1 3.3Å
307D97.7Very high92.6Very high71 Ų7150.9 Ų50.938%0.3829%0.289SS..PPolyproline II helixtrans-64148-179.8-56.9-26.2000112.5E291 Q304 G305 W352E291-D307 WeakPolarHBondContact CA-OD1 3.41Å; Q304-D307 PolarHBondContact NE2-OD1 2.95Å; G305-D307 PolarHBondContact O-N 2.89Å; D307-W352 PolarHBondContact O-NE1 3.1Å; D307-W352 VanDerWaalsContact O-NE1 3.14Å
308M95.8Very high93.3Very high6 Ų650.6 Ų50.63%0.0329%0.287CS..PPolyproline II helixtrans-62.9136.8177.6-176.3177.553.800110.9C290 D310 R313 Y316 V327 W352C290-M308 HydrophobicContact CB-CB 4.13Å; C290-M308 HydrophobicContact CB-CE 4.39Å; C290-M308 WeakPolarHBondContact O-CB 3.28Å; C290-M308 PolarHBondContact O-N 2.85Å; M308-D310 VanDerWaalsContact C-N 3.3Å; M308-D310 WeakPolarHBondContact CE-O 3.29Å; M308-D310 PolarHBondContact O-N 2.84Å; M308-R313 HydrophobicContact CE-CB 4.29Å; M308-Y316 HydrophobicContact CE-CE1 3.98Å; M308-V327 HydrophobicContact SD-CB 4.46Å; M308-V327 HydrophobicContact SD-CG1 3.9Å; M308-V327 HydrophobicContact SD-CG2 4.44Å; M308-W352 HydrophobicContact CB-CH2 4.03Å; M308-W352 HydrophobicContact CB-CZ2 3.71Å; M308-W352 HydrophobicContact CG-CH2 3.92Å; M308-W352 HydrophobicContact CG-CZ2 4.09Å; M308-W352 HydrophobicContact CG-CZ3 4.25Å; M308-W352 HydrophobicContact SD-CH2 4.45Å
309P94.7Very high94.1Very high90 Ų9047.6 Ų47.658%0.58427%0.269SS*.SBendtrans-67.6-19.4-173.324-35.3000115.8P311 W352P309-P311 WeakPolarHBondContact O-CD 3.48Å; P309-W352 HydrophobicContact CG-CB 4.47Å
310D90.6Very high94.8Very high35 Ų3546.9 Ų46.919%0.18726%0.26CS..  trans-111.290.5177-172.7-3.6000111.2M308 G312 R313 R332M308-D310 VanDerWaalsContact C-N 3.3Å; M308-D310 WeakPolarHBondContact CE-O 3.29Å; M308-D310 PolarHBondContact O-N 2.84Å; D310-G312 PolarHBondContact O-N 2.79Å; D310-G312 PolarHBondContact OD1-N 3.45Å; D310-R313 HydrophobicContact CB-CB 4.2Å; D310-R313 WeakPolarHBondContact O-CB 3.48Å; D310-R313 PolarHBondContact O-N 2.98Å; D310-R332 IonicContact OD1-NH2 3.55Å; D310-R332 IonicContact OD2-CZ 3.87Å; D310-R332 IonicContact OD2-NH2 2.81Å; D310-R332 PolarHBondContact OD2-NH2 3.16Å
311P89.8Confident95.1Very high77 Ų7744.2 Ų44.250%0.525%0.246SC..THydrogen-bonded Turntrans-74.3-9.6-175.230.8-36.7000114.4C290 P309C290-P311 HydrophobicContact CB-CB 4.01Å; P309-P311 WeakPolarHBondContact O-CD 3.48Å
312G90.9Very high95.2Very high26 Ų2642.2 Ų42.227%0.26824%0.24SC..THydrogen-bonded Turntrans-92.50.4178.500000113.9D310D310-G312 PolarHBondContact O-N 2.79Å; D310-G312 PolarHBondContact OD1-N 3.45Å
313R94.4Very high95Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-84.6124.9-173-171.5-178.1-179.9179.10.7110.8M308 D310 Y316 V327 T328 G329 L339 T341 S343M308-R313 HydrophobicContact CE-CB 4.29Å; D310-R313 HydrophobicContact CB-CB 4.2Å; D310-R313 WeakPolarHBondContact O-CB 3.48Å; D310-R313 PolarHBondContact O-N 2.98Å; R313-Y316 HydrophobicContact CG-CD1 3.89Å; R313-Y316 WeakPolarHBondContact O-CE1 3.49Å; R313-V327 PolarHBondContact NH1-O 3.49Å; R313-V327 VanDerWaalsContact NH2-C 3.33Å; R313-V327 PolarHBondContact NH2-O 2.61Å; R313-T328 PolarHBondContact NH2-O 2.99Å; R313-G329 PolarHBondContact NE-O 2.65Å; R313-G329 PolarHBondContact NH2-O 3.39Å; R313-L339 HydrophobicContact CG-CD1 3.94Å; R313-T341 PolarHBondContact NH2-O 3.07Å; R313-S343 PolarHBondContact NH1-OG 2.82Å
314E94.4Very high95.1Very high22 Ų2237.2 Ų37.210%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-124.8171.2174.163.3179.6166.800111.6Y284 P288 Y316 G330 Y331 T333Y284-E314 HydrophobicContact CD2-CB 4.5Å; Y284-E314 VanDerWaalsContact CD2-OE2 3.29Å; Y284-E314 WeakPolarHBondContact CD2-OE2 3.42Å; Y284-E314 WeakPolarHBondContact CE2-OE2 3.46Å; P288-E314 HydrophobicContact CB-CB 4.3Å; P288-E314 HydrophobicContact CG-CB 4.17Å; E314-Y316 PolarHBondContact O-N 3.37Å; E314-G330 CarbonylContact O-C 3.57Å; E314-G330 WeakPolarHBondContact O-CA 3.43Å; E314-Y331 WeakPolarHBondContact CG-O 3.29Å; E314-Y331 PolarHBondContact N-O 3.47Å; E314-Y331 PolarHBondContact O-N 2.85Å; E314-T333 PolarHBondContact OE1-OG1 2.74Å
315S94.3Very high95.2Very high8 Ų831.7 Ų31.76%0.05619%0.189CC..SBendtrans53.129172.7-55.20000115G330 Y364S315-G330 WeakPolarHBondContact O-CA 3.2Å; S315-Y364 PolarHBondContact O-N 3.23Å; S315-Y364 VanDerWaalsContact OG-CE1 3.25Å; S315-Y364 WeakPolarHBondContact OG-CE1 3.13Å; S315-Y364 WeakPolarHBondContact OG-CE2 3.48Å; S315-Y364 PolarHBondContact OG-OH 3.32Å
316Y97Very high95.3Very high17 Ų1731.9 Ų31.97%0.06719%0.187CC..  trans-80.1174.3172.552.7-96.8000110.6I281 G282 G283 M308 R313 E314 V318 V327 T328I281-Y316 PolarHBondContact O-OH 3.12Å; G282-Y316 WeakPolarHBondContact CA-OH 3.36Å; G283-Y316 PolarHBondContact N-OH 3.1Å; M308-Y316 HydrophobicContact CE-CE1 3.98Å; R313-Y316 HydrophobicContact CG-CD1 3.89Å; R313-Y316 WeakPolarHBondContact O-CE1 3.49Å; E314-Y316 PolarHBondContact O-N 3.37Å; Y316-V318 HydrophobicContact CD2-CG2 3.67Å; Y316-V318 HydrophobicContact CE2-CG2 3.58Å; Y316-V327 HydrophobicContact CD1-CG1 4.47Å; Y316-V327 HydrophobicContact CD2-CG1 3.4Å; Y316-V327 HydrophobicContact CE2-CG1 3.93Å; Y316-V327 HydrophobicContact CG-CG1 3.69Å; Y316-T328 WeakPolarHBondContact CB-O 3.27Å
317S97.5Very high95.3Very high17 Ų1726.7 Ų26.712%0.11917%0.165CC..EExtended strand (participates in β ladder)trans-119.1147.1172.7-160.70000110.9V327 T328 H365 S367S317-V327 WeakPolarHBondContact O-CA 3.42Å; S317-T328 PolarHBondContact N-O 2.84Å; S317-T328 PolarHBondContact O-N 3.14Å; S317-T328 PolarHBondContact O-OG1 3.27Å; S317-H365 WeakPolarHBondContact CB-NE2 3.43Å; S317-H365 WeakPolarHBondContact CB-O 3.34Å; S317-H365 PolarHBondContact OG-O 2.9Å; S317-S367 WeakPolarHBondContact CB-OG 3.3Å; S317-S367 WeakPolarHBondContact OG-CB 3.42Å; S317-S367 PolarHBondContact OG-N 2.81Å; S317-S367 PolarHBondContact OG-OG 3.4Å
318V98Very high95.4Very high22 Ų2223.3 Ų23.313%0.13315%0.147CC..EExtended strand (participates in β ladder)trans-123.6128.9-177.4-177.90000110I281 Y316 I325 Y326 V327 S367 V556I281-V318 HydrophobicContact CB-CG2 4.39Å; I281-V318 HydrophobicContact CG1-CG1 4.26Å; Y316-V318 HydrophobicContact CD2-CG2 3.67Å; Y316-V318 HydrophobicContact CE2-CG2 3.58Å; V318-I325 HydrophobicContact CG1-CG2 3.37Å; V318-Y326 WeakPolarHBondContact CA-O 3.16Å; V318-V327 HydrophobicContact CG2-CG1 4.43Å; V318-V327 HydrophobicContact CG2-CG2 4.16Å; V318-S367 PolarHBondContact N-OG 2.94Å; V318-V556 HydrophobicContact CG1-CG1 4.01Å
319S97.7Very high95.4Very high6 Ų623 Ų234%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-138.5143.2176.562.70000111Y326 V374S319-Y326 PolarHBondContact N-O 3.29Å; S319-Y326 PolarHBondContact O-N 3.23Å; S319-V374 VanDerWaalsContact OG-CG1 3.28Å; S319-V374 WeakPolarHBondContact OG-CG1 3.42Å
320L97Very high95.5Very high42 Ų4218.8 Ų18.822%0.2212%0.117CC..EExtended strand (participates in β ladder)trans-99.1130.7177.5179.469.5000111G322 I325 A369 V556 C557 V558L320-G322 WeakPolarHBondContact CD1-O 3.46Å; L320-I325 HydrophobicContact CD1-CG1 3.65Å; L320-A369 WeakPolarHBondContact O-CB 3.39Å; L320-V556 HydrophobicContact CB-CB 4.12Å; L320-V556 HydrophobicContact CB-CG1 4.18Å; L320-V556 HydrophobicContact CB-CG2 4.48Å; L320-C557 WeakPolarHBondContact CD2-O 3.21Å; L320-V558 HydrophobicContact CD1-CG2 3.99Å; L320-V558 HydrophobicContact CD2-CG2 3.97Å
321L95.7Very high95.7Very high33 Ų3319.3 Ų19.317%0.17312%0.117CC..EExtended strand (participates in β ladder)trans-134.6110.1170.1174.466.4000109.9A323 N324 Y326 A369 V374 P394L321-A323 PolarHBondContact O-N 2.8Å; L321-N324 PolarHBondContact N-O 3.04Å; L321-N324 PolarHBondContact O-N 2.96Å; L321-Y326 HydrophobicContact CB-CD2 4.29Å; L321-Y326 HydrophobicContact CB-CE2 3.93Å; L321-Y326 HydrophobicContact CD2-CE2 4.29Å; L321-A369 HydrophobicContact CB-CB 4.06Å; L321-A369 HydrophobicContact CD1-CB 4.19Å; L321-V374 HydrophobicContact CB-CG2 4.1Å; L321-V374 HydrophobicContact CD2-CG2 3.93Å; L321-P394 HydrophobicContact CD2-CG 3.75Å
322G92Very high95.8Very high28 Ų2819.3 Ų19.329%0.28911%0.107SC..THydrogen-bonded Turntrans59.8-125-171.600000110.6E157 R160 L320 N324E157-G322 VanDerWaalsContact OE2-CA 3.31Å; E157-G322 WeakPolarHBondContact OE2-CA 3.37Å; R160-G322 VanDerWaalsContact NH1-C 3.27Å; L320-G322 WeakPolarHBondContact CD1-O 3.46Å; G322-N324 VanDerWaalsContact C-N 3.3Å
323A92.4Very high95.5Very high1 Ų121.6 Ų21.61%0.00812%0.116CC..THydrogen-bonded Turntrans-81.3-9.417600000113.7R160 L321 C347 D348R160-A323 VanDerWaalsContact NH1-CA 3.35Å; L321-A323 PolarHBondContact O-N 2.8Å; A323-C347 WeakPolarHBondContact O-CB 3.24Å; A323-C347 PolarHBondContact O-N 3.14Å; A323-C347 PolarHBondContact O-SG 3.31Å; A323-D348 VanDerWaalsContact CB-OD2 3.24Å; A323-D348 WeakPolarHBondContact CB-OD2 3.26Å
324N96.7Very high95Very high47 Ų4728.8 Ų28.825%0.25116%0.155SC..EExtended strand (participates in β ladder)trans-104.4120.3-163.9-64.9-47.6000110.6L321 G322 Y326 V344 Y345 N346L321-N324 PolarHBondContact N-O 3.04Å; L321-N324 PolarHBondContact O-N 2.96Å; G322-N324 VanDerWaalsContact C-N 3.3Å; N324-Y326 HydrophobicContact CB-CD2 4.24Å; N324-Y326 HydrophobicContact CB-CE2 3.6Å; N324-Y326 WeakPolarHBondContact O-CD2 3.44Å; N324-V344 HydrophobicContact CB-CG1 3.74Å; N324-Y345 WeakPolarHBondContact CA-O 2.99Å; N324-N346 PolarHBondContact OD1-ND2 3.04Å
325I98.3Very high94.5Very high0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-89.8119.3169.9-62.5175.5000108Y279 I281 V318 L320 V344 Y345 C347 V556 V558Y279-I325 HydrophobicContact CD1-CD1 3.83Å; Y279-I325 HydrophobicContact CG-CD1 3.96Å; I281-I325 HydrophobicContact CD1-CD1 4.2Å; I281-I325 HydrophobicContact CG1-CG2 4.25Å; V318-I325 HydrophobicContact CG1-CG2 3.37Å; L320-I325 HydrophobicContact CD1-CG1 3.65Å; I325-V344 CarbonylContact O-C 3.56Å; I325-V344 WeakPolarHBondContact O-CA 3.44Å; I325-Y345 HydrophobicContact CD1-CD1 4.11Å; I325-Y345 PolarHBondContact N-O 2.76Å; I325-Y345 PolarHBondContact O-N 2.86Å; I325-C347 VanDerWaalsContact CD1-SG 3.5Å; I325-V556 HydrophobicContact CD1-CG2 3.55Å; I325-V556 HydrophobicContact CG1-CG2 3.93Å; I325-V558 HydrophobicContact CD1-CG2 4.21Å
326Y98.6Very high94.2Very high13 Ų1336 Ų365%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-97.1121.2177.8-70.7-103.3000109.7V318 S319 L321 N324 V342 V344 V374 Y392V318-Y326 WeakPolarHBondContact CA-O 3.16Å; S319-Y326 PolarHBondContact N-O 3.29Å; S319-Y326 PolarHBondContact O-N 3.23Å; L321-Y326 HydrophobicContact CB-CD2 4.29Å; L321-Y326 HydrophobicContact CB-CE2 3.93Å; L321-Y326 HydrophobicContact CD2-CE2 4.29Å; N324-Y326 HydrophobicContact CB-CD2 4.24Å; N324-Y326 HydrophobicContact CB-CE2 3.6Å; N324-Y326 WeakPolarHBondContact O-CD2 3.44Å; Y326-V342 HydrophobicContact CD1-CG1 4.04Å; Y326-V344 HydrophobicContact CD1-CG1 4.49Å; Y326-V344 HydrophobicContact CD1-CG2 3.66Å; Y326-V344 HydrophobicContact CE1-CG1 4.27Å; Y326-V344 HydrophobicContact CE1-CG2 3.66Å; Y326-V344 HydrophobicContact CE2-CG1 4.37Å; Y326-V344 HydrophobicContact CG-CG2 4.4Å; Y326-V374 HydrophobicContact CD1-CG2 4.22Å; Y326-V374 HydrophobicContact CD2-CG2 3.71Å; Y326-V374 HydrophobicContact CE1-CG2 4.42Å; Y326-V374 HydrophobicContact CE2-CG2 3.94Å; Y326-V374 HydrophobicContact CG-CG2 3.87Å; Y326-Y392 AromaticContact CE1-CD1 3.87Å; Y326-Y392 HydrophobicContact CE1-CD1 3.87Å; Y326-Y392 AromaticContact CE1-CE1 3.78Å; Y326-Y392 HydrophobicContact CE1-CE1 3.78Å
327V98.4Very high93.9Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-102.4109170-172.40000108.7I281 M308 R313 Y316 S317 V318 V342 S343 W352I281-V327 HydrophobicContact CG2-CG2 4.03Å; M308-V327 HydrophobicContact SD-CB 4.46Å; M308-V327 HydrophobicContact SD-CG1 3.9Å; M308-V327 HydrophobicContact SD-CG2 4.44Å; R313-V327 PolarHBondContact NH1-O 3.49Å; R313-V327 VanDerWaalsContact NH2-C 3.33Å; R313-V327 PolarHBondContact NH2-O 2.61Å; Y316-V327 HydrophobicContact CD1-CG1 4.47Å; Y316-V327 HydrophobicContact CD2-CG1 3.4Å; Y316-V327 HydrophobicContact CE2-CG1 3.93Å; Y316-V327 HydrophobicContact CG-CG1 3.69Å; S317-V327 WeakPolarHBondContact O-CA 3.42Å; V318-V327 HydrophobicContact CG2-CG1 4.43Å; V318-V327 HydrophobicContact CG2-CG2 4.16Å; V327-V342 WeakPolarHBondContact O-CA 3.46Å; V327-S343 PolarHBondContact N-O 3.38Å; V327-S343 PolarHBondContact O-N 2.83Å; V327-W352 HydrophobicContact CB-CZ3 4.5Å; V327-W352 HydrophobicContact CG2-CH2 3.7Å; V327-W352 HydrophobicContact CG2-CZ3 3.8Å
328T98.3Very high93.8Very high0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-112.1141.8-170.759.80000111.8R313 Y316 S317 V342 M358 H365 T376 W399R313-T328 PolarHBondContact NH2-O 2.99Å; Y316-T328 WeakPolarHBondContact CB-O 3.27Å; S317-T328 PolarHBondContact N-O 2.84Å; S317-T328 PolarHBondContact O-N 3.14Å; S317-T328 PolarHBondContact O-OG1 3.27Å; T328-V342 HydrophobicContact CG2-CG1 4.2Å; T328-V342 HydrophobicContact CG2-CG2 4.28Å; T328-M358 HydrophobicContact CG2-SD 4.49Å; T328-H365 PolarHBondContact O-CE1 3.25Å; T328-H365 PolarHBondContact O-NE2 2.96Å; T328-H365 PolarHBondContact OG1-NE2 2.83Å; T328-T376 HydrophobicContact CG2-CG2 4.05Å; T328-W399 HydrophobicContact CG2-CH2 4.19Å; T328-W399 HydrophobicContact CG2-CZ2 4.4Å
329G97.3Very high93.7Very high0 Ų039 Ų390%022%0.215CC..  trans58.3-137.8174.100000115.7R313 L339 T341 M358 R362R313-G329 PolarHBondContact NE-O 2.65Å; R313-G329 PolarHBondContact NH2-O 3.39Å; G329-L339 VanDerWaalsContact CA-O 3.25Å; G329-L339 WeakPolarHBondContact CA-O 3.39Å; G329-T341 PolarHBondContact N-O 3.09Å; G329-M358 VanDerWaalsContact N-CE 3.32Å; G329-R362 CarbonylContact C-O 3.6Å; G329-R362 WeakPolarHBondContact CA-O 3.28Å
330G96.2Very high93.7Very high0 Ų041.8 Ų41.80%023%0.229CC..  trans100.1-177-177.600000113.1E314 S315 L339 R362E314-G330 CarbonylContact O-C 3.57Å; E314-G330 WeakPolarHBondContact O-CA 3.43Å; S315-G330 WeakPolarHBondContact O-CA 3.2Å; G330-L339 PolarHBondContact O-N 3.3Å; G330-R362 PolarHBondContact N-O 3.15Å
331Y94.5Very high93.7Very high46 Ų4642.1 Ų42.118%0.1823%0.233CC..EExtended strand (participates in β ladder)trans-132.3145-168.4-169.9-107.3000110.3E314 V336 E337 Y363E314-Y331 WeakPolarHBondContact CG-O 3.29Å; E314-Y331 PolarHBondContact N-O 3.47Å; E314-Y331 PolarHBondContact O-N 2.85Å; Y331-V336 WeakPolarHBondContact OH-CA 3.44Å; Y331-V336 WeakPolarHBondContact OH-CG1 3.27Å; Y331-E337 WeakPolarHBondContact CA-O 3.4Å; Y331-E337 VanDerWaalsContact CD2-O 3.28Å; Y331-E337 WeakPolarHBondContact CD2-O 3.47Å; Y331-Y363 AromaticContact CD2-CD1 3.82Å; Y331-Y363 HydrophobicContact CD2-CD1 3.82Å; Y331-Y363 HydrophobicContact CD2-CD2 4.19Å; Y331-Y363 AromaticContact CD2-CE1 3.96Å; Y331-Y363 HydrophobicContact CD2-CE1 3.96Å; Y331-Y363 HydrophobicContact CD2-CE2 4.34Å; Y331-Y363 AromaticContact CD2-CG 3.98Å; Y331-Y363 HydrophobicContact CD2-CG 3.98Å; Y331-Y363 HydrophobicContact CE2-CE1 4.26Å; Y331-Y363 HydrophobicContact CG-CD2 4.24Å; Y331-Y363 HydrophobicContact CG-CG 4.24Å
332R91.4Very high93.8Very high77 Ų7740.8 Ų40.829%0.29123%0.226SC..EExtended strand (participates in β ladder)trans-114.6108.7173.2-172.9174.4-68.9156.6-2.2109.3D310 N334 T335 V336 E337D310-R332 IonicContact OD1-NH2 3.55Å; D310-R332 IonicContact OD2-CZ 3.87Å; D310-R332 IonicContact OD2-NH2 2.81Å; D310-R332 PolarHBondContact OD2-NH2 3.16Å; R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.43Å; R332-T335 VanDerWaalsContact CD-OG1 3.32Å; R332-T335 WeakPolarHBondContact CD-OG1 3.44Å; R332-T335 WeakPolarHBondContact CG-OG1 3.38Å; R332-T335 PolarHBondContact O-N 3.06Å; R332-V336 WeakPolarHBondContact O-CA 3.29Å; R332-V336 PolarHBondContact O-N 2.81Å; R332-E337 PolarHBondContact N-O 3.3Å; R332-E337 PolarHBondContact O-N 3.08Å
333T85.4Confident94.1Very high74 Ų7440.1 Ų40.145%0.45422%0.217SC..THydrogen-bonded Turntrans-59.9-38.8-176.8-23.70000112.3E314 T335 V336E314-T333 PolarHBondContact OE1-OG1 2.74Å; T333-T335 PolarHBondContact O-N 3.27Å; T333-V336 PolarHBondContact O-N 2.92Å
334N83.8Confident94.4Very high152 Ų15240.5 Ų40.581%0.81322%0.219SC*.THydrogen-bonded Turntrans-66.1-34.3-176.2-67.7-14.6000113.3R332R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.43Å
335T84.8Confident94.5Very high76 Ų7638.3 Ų38.347%0.46621%0.208SC..THydrogen-bonded Turntrans-106.6-4.4-179.257.80000113R332 T333 E337R332-T335 VanDerWaalsContact CD-OG1 3.32Å; R332-T335 WeakPolarHBondContact CD-OG1 3.44Å; R332-T335 WeakPolarHBondContact CG-OG1 3.38Å; R332-T335 PolarHBondContact O-N 3.06Å; T333-T335 PolarHBondContact O-N 3.27Å; T335-E337 PolarHBondContact O-N 2.69Å; T335-E337 VanDerWaalsContact OG1-CB 3.29Å; T335-E337 WeakPolarHBondContact OG1-CB 3.42Å; T335-E337 PolarHBondContact OG1-OE2 3Å
336V86.9Confident94.4Very high106 Ų10639.5 Ų39.564%0.64221%0.214SC*.THydrogen-bonded Turntrans55.844.7-178.1-169.10000110.2Y331 R332 T333Y331-V336 WeakPolarHBondContact OH-CA 3.44Å; Y331-V336 WeakPolarHBondContact OH-CG1 3.27Å; R332-V336 WeakPolarHBondContact O-CA 3.29Å; R332-V336 PolarHBondContact O-N 2.81Å; T333-V336 PolarHBondContact O-N 2.92Å
337E90.8Very high94.1Very high91 Ų9139.5 Ų39.543%0.42522%0.216SC..EExtended strand (participates in β ladder)trans-120.1129.2-168.5-175.2175.5-159.300110.9Y331 R332 T335 L339Y331-E337 WeakPolarHBondContact CA-O 3.4Å; Y331-E337 VanDerWaalsContact CD2-O 3.28Å; Y331-E337 WeakPolarHBondContact CD2-O 3.47Å; R332-E337 PolarHBondContact N-O 3.3Å; R332-E337 PolarHBondContact O-N 3.08Å; T335-E337 PolarHBondContact O-N 2.69Å; T335-E337 VanDerWaalsContact OG1-CB 3.29Å; T335-E337 WeakPolarHBondContact OG1-CB 3.42Å; T335-E337 PolarHBondContact OG1-OE2 3Å; E337-L339 HydrophobicContact CG-CD2 4.28Å
338A95.1Very high93.8Very high20 Ų2041.5 Ų41.517%0.16523%0.226CC..EExtended strand (participates in β ladder)trans-80.1138.8164.900000108.8A361 Y363A338-A361 HydrophobicContact CB-CB 4.31Å; A338-A361 WeakPolarHBondContact O-CB 3.29Å; A338-Y363 HydrophobicContact CB-CD1 3.77Å; A338-Y363 HydrophobicContact CB-CE1 4.25Å
339L96.6Very high93.5Very high8 Ų847.9 Ų47.94%0.04225%0.251CS..  trans-104.7146.5-174.6-56.4173.4000111R313 G329 G330 E337 A361 R362R313-L339 HydrophobicContact CG-CD1 3.94Å; G329-L339 VanDerWaalsContact CA-O 3.25Å; G329-L339 WeakPolarHBondContact CA-O 3.39Å; G330-L339 PolarHBondContact O-N 3.3Å; E337-L339 HydrophobicContact CG-CD2 4.28Å; L339-A361 CarbonylContact O-C 3.59Å; L339-A361 VanDerWaalsContact O-CA 3.26Å; L339-A361 WeakPolarHBondContact O-CA 3.49Å; L339-R362 PolarHBondContact O-N 3.04Å
340D97.1Very high93.3Very high63 Ų6351.1 Ų51.134%0.33727%0.269SS..  trans-104.9-5.516756.71.4000112.4P357 M358 A361D340-P357 WeakPolarHBondContact O-CA 3.35Å; D340-M358 HydrophobicContact CB-CB 4.21Å; D340-M358 PolarHBondContact O-N 3.07Å; D340-A361 HydrophobicContact CB-CB 3.94Å
341T97.6Very high93.4Very high50 Ų5056.2 Ų56.231%0.30729%0.293SS..  trans-63.3147.2-176.657.10000112.5R313 G329R313-T341 PolarHBondContact NH2-O 3.07Å; G329-T341 PolarHBondContact N-O 3.09Å
342V98.3Very high93.6Very high5 Ų555.6 Ų55.63%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-126.1127.7179.1-177.90000109Y326 V327 T328 V344 G355 C356 M358 W399Y326-V342 HydrophobicContact CD1-CG1 4.04Å; V327-V342 WeakPolarHBondContact O-CA 3.46Å; T328-V342 HydrophobicContact CG2-CG1 4.2Å; T328-V342 HydrophobicContact CG2-CG2 4.28Å; V342-V344 HydrophobicContact CG1-CG2 4.14Å; V342-G355 PolarHBondContact O-N 3.33Å; V342-C356 VanDerWaalsContact CG2-O 3.26Å; V342-C356 WeakPolarHBondContact CG2-O 3.25Å; V342-M358 HydrophobicContact CG2-CG 3.89Å; V342-W399 HydrophobicContact CG2-CZ2 3.88Å
343S98.1Very high93.9Very high14 Ų1455.9 Ų55.910%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-111.6131.8172.5-530000108.1R313 V327R313-S343 PolarHBondContact NH1-OG 2.82Å; V327-S343 PolarHBondContact N-O 3.38Å; V327-S343 PolarHBondContact O-N 2.83Å
344V98.4Very high94.5Very high9 Ų960.7 Ų60.76%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-116.7116.9-177.7-172.90000109.2N324 I325 Y326 V342 W352 T353N324-V344 HydrophobicContact CB-CG1 3.74Å; I325-V344 CarbonylContact O-C 3.56Å; I325-V344 WeakPolarHBondContact O-CA 3.44Å; Y326-V344 HydrophobicContact CD1-CG1 4.49Å; Y326-V344 HydrophobicContact CD1-CG2 3.66Å; Y326-V344 HydrophobicContact CE1-CG1 4.27Å; Y326-V344 HydrophobicContact CE1-CG2 3.66Å; Y326-V344 HydrophobicContact CE2-CG1 4.37Å; Y326-V344 HydrophobicContact CG-CG2 4.4Å; V342-V344 HydrophobicContact CG1-CG2 4.14Å; V344-W352 CarbonylContact O-C 3.53Å; V344-W352 WeakPolarHBondContact O-CA 3.41Å; V344-T353 PolarHBondContact N-O 3.08Å; V344-T353 PolarHBondContact O-N 3.32Å; V344-T353 PolarHBondContact O-OG1 3.26Å
345Y98.2Very high95.1Very high1 Ų154.1 Ų54.10%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-99.8121.1175.9178.5-97.7000110.1Y279 V292 K306 N324 I325 D350 E351 W352Y279-Y345 HydrophobicContact CD1-CE1 4.16Å; Y279-Y345 AromaticContact CE1-CE1 3.79Å; Y279-Y345 HydrophobicContact CE1-CE1 3.79Å; V292-Y345 HydrophobicContact CG1-CE1 4.34Å; K306-Y345 HydrophobicContact CB-CE2 4.28Å; N324-Y345 WeakPolarHBondContact CA-O 2.99Å; I325-Y345 HydrophobicContact CD1-CD1 4.11Å; I325-Y345 PolarHBondContact N-O 2.76Å; I325-Y345 PolarHBondContact O-N 2.86Å; Y345-D350 VanDerWaalsContact CE2-OD1 3.31Å; Y345-D350 WeakPolarHBondContact CE2-OD1 3.36Å; Y345-D350 PolarHBondContact OH-OD1 3.39Å; Y345-E351 WeakPolarHBondContact CA-O 3.03Å; Y345-W352 AromaticContact CD2-CD1 3.75Å; Y345-W352 AromaticContact CD2-CD2 3.82Å; Y345-W352 HydrophobicContact CD2-CD2 3.82Å; Y345-W352 AromaticContact CD2-CE2 3.4Å; Y345-W352 VanDerWaalsContact CD2-CE2 3.4Å; Y345-W352 HydrophobicContact CD2-CG 4.03Å; Y345-W352 AromaticContact CD2-CZ2 3.86Å; Y345-W352 HydrophobicContact CD2-CZ2 3.86Å; Y345-W352 AromaticContact CD2-NE1 3.34Å; Y345-W352 VanDerWaalsContact CD2-NE1 3.34Å; Y345-W352 AromaticContact CE2-NE1 3.85Å; Y345-W352 HydrophobicContact CG-CD2 4.3Å; Y345-W352 AromaticContact CG-CE2 3.99Å; Y345-W352 HydrophobicContact CG-CH2 4.4Å; Y345-W352 HydrophobicContact CG-CZ2 4.05Å
346N96.2Very high95.7Very high24 Ų2452.4 Ų52.413%0.12828%0.277CS..EExtended strand (participates in β ladder)trans-90.5116.9175.6-173.1-76.3000110.3N324 D348 Y349 D350 E351N324-N346 PolarHBondContact OD1-ND2 3.04Å; N346-D348 VanDerWaalsContact C-N 3.3Å; N346-D348 PolarHBondContact O-N 2.94Å; N346-D348 WeakPolarHBondContact OD1-CA 3.14Å; N346-D348 WeakPolarHBondContact OD1-CB 3.2Å; N346-D348 PolarHBondContact OD1-N 3.47Å; N346-Y349 HydrophobicContact CB-CD2 4.3Å; N346-Y349 VanDerWaalsContact CG-CD2 3.48Å; N346-Y349 PolarHBondContact O-N 3.48Å; N346-Y349 WeakPolarHBondContact OD1-CD2 3.42Å; N346-Y349 PolarHBondContact OD1-N 2.99Å; N346-Y349 VanDerWaalsContact OD1-N 3.1Å; N346-D350 PolarHBondContact O-N 2.93Å; N346-E351 PolarHBondContact N-O 2.9Å; N346-E351 PolarHBondContact O-N 2.8Å
347C93.8Very high96.2Very high14 Ų1451 Ų5110%0.09527%0.27CS..THydrogen-bonded Turntrans-71-24.4-175.8-53.80000113.5Y279 A323 I325 V558Y279-C347 HydrophobicContact CE1-CB 4.38Å; A323-C347 WeakPolarHBondContact O-CB 3.24Å; A323-C347 PolarHBondContact O-N 3.14Å; A323-C347 PolarHBondContact O-SG 3.31Å; I325-C347 VanDerWaalsContact CD1-SG 3.5Å; C347-V558 HydrophobicContact CB-CG1 3.87Å
348D90.5Very high96.6Very high41 Ų4147 Ų4722%0.21925%0.251CS..THydrogen-bonded Turntrans-78.8-26.5-178.5-60.6-28.9000111.8R156 R160 A323 N346R156-D348 IonicContact CZ-OD2 3.71Å; R156-D348 IonicContact NE-OD2 3.39Å; R156-D348 PolarHBondContact NE-OD2 3.45Å; R156-D348 IonicContact NH1-OD2 3.83Å; R156-D348 PolarHBondContact NH1-OD2 3.02Å; R156-D348 IonicContact NH2-OD2 3.4Å; R156-D348 PolarHBondContact NH2-OD2 3.23Å; R160-D348 VanDerWaalsContact NH2-CG 3.27Å; R160-D348 IonicContact NH2-OD1 3.89Å; R160-D348 PolarHBondContact NH2-OD1 3.17Å; R160-D348 IonicContact NH2-OD2 2.66Å; R160-D348 PolarHBondContact NH2-OD2 3.46Å; A323-D348 VanDerWaalsContact CB-OD2 3.24Å; A323-D348 WeakPolarHBondContact CB-OD2 3.26Å; N346-D348 VanDerWaalsContact C-N 3.3Å; N346-D348 PolarHBondContact O-N 2.94Å; N346-D348 WeakPolarHBondContact OD1-CA 3.14Å; N346-D348 WeakPolarHBondContact OD1-CB 3.2Å; N346-D348 PolarHBondContact OD1-N 3.47Å
349Y91.8Very high96.7Very high135 Ų13550.6 Ų50.653%0.52927%0.267SS..THydrogen-bonded Turntrans-114.5-8.2-175.7-53.9-59.5000114.3R156 N346 E351R156-Y349 PolarHBondContact NH1-OH 3.19Å; R156-Y349 PolarHBondContact NH2-OH 3.09Å; N346-Y349 HydrophobicContact CB-CD2 4.3Å; N346-Y349 VanDerWaalsContact CG-CD2 3.48Å; N346-Y349 PolarHBondContact O-N 3.48Å; N346-Y349 WeakPolarHBondContact OD1-CD2 3.42Å; N346-Y349 PolarHBondContact OD1-N 2.99Å; N346-Y349 VanDerWaalsContact OD1-N 3.1Å; Y349-E351 VanDerWaalsContact C-N 3.32Å; Y349-E351 PolarHBondContact O-N 2.78Å
350D94.9Very high96.6Very high68 Ų6851 Ų5136%0.36427%0.269SS..THydrogen-bonded Turntrans56.145.4-174.3-173.423.9000112.1K306 Y345 N346K306-D350 WeakPolarHBondContact CB-OD1 3.41Å; K306-D350 WeakPolarHBondContact CD-O 3.43Å; K306-D350 PolarHBondContact N-OD1 3.48Å; Y345-D350 VanDerWaalsContact CE2-OD1 3.31Å; Y345-D350 WeakPolarHBondContact CE2-OD1 3.36Å; Y345-D350 PolarHBondContact OH-OD1 3.39Å; N346-D350 PolarHBondContact O-N 2.93Å
351E97.1Very high96.6Very high107 Ų10748.5 Ų48.550%0.526%0.258SS..EExtended strand (participates in β ladder)trans-129.9136.8-174.4-75-173.8167.100113.1Y345 N346 Y349Y345-E351 WeakPolarHBondContact CA-O 3.03Å; N346-E351 PolarHBondContact N-O 2.9Å; N346-E351 PolarHBondContact O-N 2.8Å; Y349-E351 VanDerWaalsContact C-N 3.32Å; Y349-E351 PolarHBondContact O-N 2.78Å
352W98.3Very high96.5Very high32 Ų3246.1 Ų46.112%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-93.5136.4171.7-7296.4000111.2I281 V292 K306 D307 M308 P309 V327 V344 Y345I281-W352 HydrophobicContact CG2-CH2 4.23Å; V292-W352 HydrophobicContact CG2-CZ2 3.78Å; K306-W352 PolarHBondContact O-NE1 3.3Å; D307-W352 PolarHBondContact O-NE1 3.1Å; D307-W352 VanDerWaalsContact O-NE1 3.14Å; M308-W352 HydrophobicContact CB-CH2 4.03Å; M308-W352 HydrophobicContact CB-CZ2 3.71Å; M308-W352 HydrophobicContact CG-CH2 3.92Å; M308-W352 HydrophobicContact CG-CZ2 4.09Å; M308-W352 HydrophobicContact CG-CZ3 4.25Å; M308-W352 HydrophobicContact SD-CH2 4.45Å; P309-W352 HydrophobicContact CG-CB 4.47Å; V327-W352 HydrophobicContact CB-CZ3 4.5Å; V327-W352 HydrophobicContact CG2-CH2 3.7Å; V327-W352 HydrophobicContact CG2-CZ3 3.8Å; V344-W352 CarbonylContact O-C 3.53Å; V344-W352 WeakPolarHBondContact O-CA 3.41Å; Y345-W352 AromaticContact CD2-CD1 3.75Å; Y345-W352 AromaticContact CD2-CD2 3.82Å; Y345-W352 HydrophobicContact CD2-CD2 3.82Å; Y345-W352 AromaticContact CD2-CE2 3.4Å; Y345-W352 VanDerWaalsContact CD2-CE2 3.4Å; Y345-W352 HydrophobicContact CD2-CG 4.03Å; Y345-W352 AromaticContact CD2-CZ2 3.86Å; Y345-W352 HydrophobicContact CD2-CZ2 3.86Å; Y345-W352 AromaticContact CD2-NE1 3.34Å; Y345-W352 VanDerWaalsContact CD2-NE1 3.34Å; Y345-W352 AromaticContact CE2-NE1 3.85Å; Y345-W352 HydrophobicContact CG-CD2 4.3Å; Y345-W352 AromaticContact CG-CE2 3.99Å; Y345-W352 HydrophobicContact CG-CH2 4.4Å; Y345-W352 HydrophobicContact CG-CZ2 4.05Å
353T97.8Very high96.4Very high83 Ų8347.4 Ų47.451%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-128.6154.3170.256.60000110.3V344V344-T353 PolarHBondContact N-O 3.08Å; V344-T353 PolarHBondContact O-N 3.32Å; V344-T353 PolarHBondContact O-OG1 3.26Å
354E97.8Very high96.2Very high175 Ų17549.8 Ų49.882%0.81826%0.255SS*.EExtended strand (participates in β ladder)trans-80.8127.3173.3-171.4176.2-175.900109.7
355G96.6Very high96.2Very high14 Ų1449.7 Ų49.714%0.14425%0.254CS..EExtended strand (participates in β ladder)trans-90.4168.4174.800000112V342V342-G355 PolarHBondContact O-N 3.33Å
356C97.6Very high96.1Very high41 Ų4150.1 Ų50.128%0.27726%0.257SS..PPolyproline II helixtrans-66.1135.2173.8-57.80000110.4V342 Y392 K397 W399V342-C356 VanDerWaalsContact CG2-O 3.26Å; V342-C356 WeakPolarHBondContact CG2-O 3.25Å; C356-Y392 HydrophobicContact CB-CE2 3.95Å; C356-K397 PolarHBondContact SG-O 3.49Å; C356-W399 PolarHBondContact O-NE1 2.74Å
357P98.1Very high96.2Very high77 Ų7749.5 Ų49.550%0.525%0.254SS..PPolyproline II helixtrans-64.5143.7179.127.1-34.5000111.1D340 W399D340-P357 WeakPolarHBondContact O-CA 3.35Å; P357-W399 PolarHBondContact O-NE1 3.28Å
358M98.3Very high96.4Very high6 Ų649.5 Ų49.53%0.0325%0.254CS..PPolyproline II helixtrans-61.4160.6174.2-61.8-174.5-58.600111.3T328 G329 D340 V342 T360 R362 T376 W399T328-M358 HydrophobicContact CG2-SD 4.49Å; G329-M358 VanDerWaalsContact N-CE 3.32Å; D340-M358 HydrophobicContact CB-CB 4.21Å; D340-M358 PolarHBondContact O-N 3.07Å; V342-M358 HydrophobicContact CG2-CG 3.89Å; M358-T360 VanDerWaalsContact C-N 3.32Å; M358-R362 HydrophobicContact CE-CG 3.68Å; M358-R362 HydrophobicContact SD-CG 4.45Å; M358-T376 HydrophobicContact SD-CG2 3.75Å; M358-W399 HydrophobicContact CB-CD2 4.45Å; M358-W399 HydrophobicContact CG-CD2 4.17Å; M358-W399 HydrophobicContact CG-CE3 4.45Å; M358-W399 HydrophobicContact CG-CH2 3.97Å; M358-W399 HydrophobicContact CG-CZ2 3.62Å; M358-W399 HydrophobicContact CG-CZ3 4.37Å; M358-W399 HydrophobicContact SD-CH2 4.37Å
359I97.7Very high96.7Very high96 Ų9648.9 Ų48.949%0.49226%0.255SS..SBendtrans-68.9-38.4173.2-56.3165.3000109.7E390 W399I359-E390 WeakPolarHBondContact CA-OE2 3.44Å; I359-E390 WeakPolarHBondContact CB-OE2 3.4Å; I359-E390 HydrophobicContact CD1-CB 4.46Å; I359-E390 WeakPolarHBondContact CD1-OE2 3.26Å; I359-E390 WeakPolarHBondContact CG1-OE2 3.48Å; I359-E390 PolarHBondContact N-OE2 2.86Å; I359-W399 HydrophobicContact CD1-CB 4.06Å; I359-W399 HydrophobicContact CG1-CB 3.77Å
360T94.9Very high97Very high15 Ų1543 Ų439%0.09223%0.232CC..SBendtrans-120118.2-175.3-56.30000111.1M358 R362 E390M358-T360 VanDerWaalsContact C-N 3.32Å; T360-R362 PolarHBondContact O-N 2.53Å; T360-R362 PolarHBondContact O-NE 3.1Å; T360-E390 PolarHBondContact N-OE1 2.79Å; T360-E390 VanDerWaalsContact N-OE1 3.14Å
361A96.8Very high96.9Very high12 Ų1243.4 Ų43.410%0.09923%0.232CC..  trans-64.3128.2168.800000111.4A338 L339 D340 R381A338-A361 HydrophobicContact CB-CB 4.31Å; A338-A361 WeakPolarHBondContact O-CB 3.29Å; L339-A361 CarbonylContact O-C 3.59Å; L339-A361 VanDerWaalsContact O-CA 3.26Å; L339-A361 WeakPolarHBondContact O-CA 3.49Å; D340-A361 HydrophobicContact CB-CB 3.94Å; A361-R381 WeakPolarHBondContact O-CD 3Å; A361-R381 WeakPolarHBondContact O-CG 3.28Å
362R96.3Very high96.8Very high0 Ų039.3 Ų39.30%022%0.218CC..  trans-156.2156.2-169.559.4-179.579.7-149.812.8112.5G329 G330 L339 M358 T360 H365 G378 Y380 E388 E390G329-R362 CarbonylContact C-O 3.6Å; G329-R362 WeakPolarHBondContact CA-O 3.28Å; G330-R362 PolarHBondContact N-O 3.15Å; L339-R362 PolarHBondContact O-N 3.04Å; M358-R362 HydrophobicContact CE-CG 3.68Å; M358-R362 HydrophobicContact SD-CG 4.45Å; T360-R362 PolarHBondContact O-N 2.53Å; T360-R362 PolarHBondContact O-NE 3.1Å; R362-H365 VanDerWaalsContact CD-CG 3.43Å; R362-H365 HydrophobicContact CG-CB 4.08Å; R362-G378 PolarHBondContact NH1-O 3.43Å; R362-Y380 WeakPolarHBondContact CA-O 3.22Å; R362-E388 PolarHBondContact NH1-O 2.93Å; R362-E390 IonicContact CZ-OE1 3.45Å; R362-E390 IonicContact NE-OE1 3.83Å; R362-E390 IonicContact NH2-OE1 2.79Å; R362-E390 PolarHBondContact NH2-OE1 3.46Å
363Y95.8Very high96.7Very high31 Ų3137.9 Ų37.912%0.12221%0.213CC..BIsolated β-bridgetrans-141.6157.4174.364.5-77.6000111.5Y331 A338 H365 G379 Y380Y331-Y363 AromaticContact CD2-CD1 3.82Å; Y331-Y363 HydrophobicContact CD2-CD1 3.82Å; Y331-Y363 HydrophobicContact CD2-CD2 4.19Å; Y331-Y363 AromaticContact CD2-CE1 3.96Å; Y331-Y363 HydrophobicContact CD2-CE1 3.96Å; Y331-Y363 HydrophobicContact CD2-CE2 4.34Å; Y331-Y363 AromaticContact CD2-CG 3.98Å; Y331-Y363 HydrophobicContact CD2-CG 3.98Å; Y331-Y363 HydrophobicContact CE2-CE1 4.26Å; Y331-Y363 HydrophobicContact CG-CD2 4.24Å; Y331-Y363 HydrophobicContact CG-CG 4.24Å; A338-Y363 HydrophobicContact CB-CD1 3.77Å; A338-Y363 HydrophobicContact CB-CE1 4.25Å; Y363-H365 PolarHBondContact O-N 3.43Å; Y363-H365 VanDerWaalsContact O-N 3.17Å; Y363-G379 CarbonylContact O-C 3.42Å; Y363-G379 WeakPolarHBondContact O-CA 3.08Å; Y363-Y380 WeakPolarHBondContact CD1-O 3.25Å; Y363-Y380 VanDerWaalsContact CE1-CB 3.5Å; Y363-Y380 VanDerWaalsContact CE1-O 3.32Å; Y363-Y380 WeakPolarHBondContact CE1-O 3.23Å; Y363-Y380 HydrophobicContact CE2-CD2 4.38Å; Y363-Y380 HydrophobicContact CE2-CG 4.34Å; Y363-Y380 PolarHBondContact N-O 2.86Å; Y363-Y380 VanDerWaalsContact N-O 3.12Å; Y363-Y380 PolarHBondContact O-N 3.48Å
364Y94.6Very high96.8Very high64 Ų6433.9 Ų33.925%0.25119%0.189SC..SBendtrans50.529.3-167.6-60.6-74.4000113.7S315 Y380 N411S315-Y364 PolarHBondContact O-N 3.23Å; S315-Y364 VanDerWaalsContact OG-CE1 3.25Å; S315-Y364 WeakPolarHBondContact OG-CE1 3.13Å; S315-Y364 WeakPolarHBondContact OG-CE2 3.48Å; S315-Y364 PolarHBondContact OG-OH 3.32Å; Y364-Y380 HydrophobicContact CD2-CD2 4.09Å; Y364-N411 HydrophobicContact CD1-CB 4.36Å; Y364-N411 HydrophobicContact CG-CB 4.5Å; Y364-N411 PolarHBondContact O-N 3.44Å
365H96.8Very high96.8Very high8 Ų826.1 Ų26.14%0.03715%0.152CC..  trans-82.6165.3170.661.2-69.5000110.5S317 T328 R362 Y363 I377 G378S317-H365 WeakPolarHBondContact CB-NE2 3.43Å; S317-H365 WeakPolarHBondContact CB-O 3.34Å; S317-H365 PolarHBondContact OG-O 2.9Å; T328-H365 PolarHBondContact O-CE1 3.25Å; T328-H365 PolarHBondContact O-NE2 2.96Å; T328-H365 PolarHBondContact OG1-NE2 2.83Å; R362-H365 VanDerWaalsContact CD-CG 3.43Å; R362-H365 HydrophobicContact CG-CB 4.08Å; Y363-H365 PolarHBondContact O-N 3.43Å; Y363-H365 VanDerWaalsContact O-N 3.17Å; H365-I377 WeakPolarHBondContact CB-O 3.48Å; H365-G378 VanDerWaalsContact CB-O 3.3Å; H365-G378 WeakPolarHBondContact CB-O 3.49Å
366C97.2Very high96.9Very high9 Ų925.5 Ų25.56%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-93.4152.5169.2-50.80000110.1T376 I377 A412 A414C366-T376 WeakPolarHBondContact O-CA 3.44Å; C366-I377 HydrophobicContact CB-CB 4.4Å; C366-I377 PolarHBondContact N-O 3.01Å; C366-I377 PolarHBondContact O-N 3.33Å; C366-A412 PolarHBondContact SG-O 3.29Å; C366-A414 HydrophobicContact CB-CB 3.52Å
367S98.2Very high96.9Very high12 Ų1223.6 Ų23.68%0.08413%0.132CC..EExtended strand (participates in β ladder)trans-138.6141.5167.163.90000110.5S317 V318 Y375S317-S367 WeakPolarHBondContact CB-OG 3.3Å; S317-S367 WeakPolarHBondContact OG-CB 3.42Å; S317-S367 PolarHBondContact OG-N 2.81Å; S317-S367 PolarHBondContact OG-OG 3.4Å; V318-S367 PolarHBondContact N-OG 2.94Å; S367-Y375 CarbonylContact C-O 3.49Å; S367-Y375 WeakPolarHBondContact CA-O 3.44Å; S367-Y375 WeakPolarHBondContact CB-O 3.33Å
368V98.2Very high96.8Very high13 Ų1320 Ų208%0.07911%0.108CC..EExtended strand (participates in β ladder)trans-146.9154.5-178.6-63.60000110.2Y375 I377 A414 V416 I421V368-Y375 PolarHBondContact N-O 3.12Å; V368-Y375 PolarHBondContact O-N 2.94Å; V368-I377 HydrophobicContact CG2-CD1 4.09Å; V368-A414 HydrophobicContact CG1-CB 3.91Å; V368-V416 HydrophobicContact CB-CG2 3.89Å; V368-V416 HydrophobicContact CG2-CG2 3.89Å; V368-I421 HydrophobicContact CG2-CD1 3.76Å; V368-I421 HydrophobicContact CG2-CG1 4.08Å; V368-I421 HydrophobicContact CG2-CG2 3.81Å
369A97.2Very high96.7Very high29 Ų2919.7 Ų19.724%0.2411%0.107CC..EExtended strand (participates in β ladder)trans-100.8130.5173.400000110.9L320 L321 C373 V416L320-A369 WeakPolarHBondContact O-CB 3.39Å; L321-A369 HydrophobicContact CB-CB 4.06Å; L321-A369 HydrophobicContact CD1-CB 4.19Å; A369-C373 CarbonylContact C-O 3.5Å; A369-C373 VanDerWaalsContact CA-O 3.24Å; A369-C373 WeakPolarHBondContact CA-O 3.3Å; A369-V416 WeakPolarHBondContact O-CG2 3.41Å
370L96.3Very high96.4Very high11 Ų1115.9 Ų15.96%0.0589%0.087CC..EExtended strand (participates in β ladder)trans-150.7137.2176.7178.459.8000109.2G372 C373 Y375 V416 I421 P444L370-G372 PolarHBondContact O-N 3.32Å; L370-C373 PolarHBondContact N-O 2.49Å; L370-C373 WeakPolarHBondContact O-CB 3.35Å; L370-C373 PolarHBondContact O-N 3.35Å; L370-Y375 HydrophobicContact CB-CD2 4.13Å; L370-Y375 HydrophobicContact CB-CE2 3.93Å; L370-V416 HydrophobicContact CB-CG2 4.12Å; L370-V416 HydrophobicContact CD1-CG1 3.79Å; L370-I421 HydrophobicContact CD2-CD1 4.06Å; L370-I421 HydrophobicContact CD2-CG1 3.59Å; L370-P444 HydrophobicContact CD2-CG 3.57Å
371H93.5Very high96.2Very high77 Ų7720.9 Ų20.936%0.35610%0.104SC..THydrogen-bonded Turntrans51.148.2178.1-55.3156.5000114.3C373 E419H371-C373 PolarHBondContact O-N 2.83Å; H371-C373 VanDerWaalsContact O-N 3.09Å; H371-C373 PolarHBondContact O-SG 3.5Å; H371-C373 VanDerWaalsContact O-SG 3.35Å; H371-E419 IonicContact CD2-OE2 3.07Å; H371-E419 IonicContact CE1-OE2 3.85Å; H371-E419 PolarHBondContact CE1-OE2 2.56Å; H371-E419 IonicContact NE2-OE1 3.46Å; H371-E419 IonicContact NE2-OE2 3.49Å; H371-E419 PolarHBondContact NE2-OE2 3.19Å
372G94.6Very high95.6Very high20 Ų2024.2 Ų24.221%0.20614%0.14CC..THydrogen-bonded Turntrans6614.1179.900000114.5L370 P394L370-G372 PolarHBondContact O-N 3.32Å; G372-P394 VanDerWaalsContact O-CD 3.24Å; G372-P394 WeakPolarHBondContact O-CD 3.28Å
373C97.3Very high94.9Very high2 Ų225.5 Ų25.51%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-124.1159.9-178.3-60.20000111.5R132 A369 L370 H371 Y375 F391 Y392R132-C373 PolarHBondContact NH1-SG 2.64Å; R132-C373 PolarHBondContact NH2-SG 2.82Å; A369-C373 CarbonylContact C-O 3.5Å; A369-C373 VanDerWaalsContact CA-O 3.24Å; A369-C373 WeakPolarHBondContact CA-O 3.3Å; L370-C373 PolarHBondContact N-O 2.49Å; L370-C373 WeakPolarHBondContact O-CB 3.35Å; L370-C373 PolarHBondContact O-N 3.35Å; H371-C373 PolarHBondContact O-N 2.83Å; H371-C373 VanDerWaalsContact O-N 3.09Å; H371-C373 PolarHBondContact O-SG 3.5Å; H371-C373 VanDerWaalsContact O-SG 3.35Å; C373-Y375 HydrophobicContact CB-CD2 4.44Å; C373-Y375 HydrophobicContact CB-CE2 3.96Å; C373-F391 HydrophobicContact CB-CB 4.45Å; C373-F391 HydrophobicContact CB-CD2 3.86Å; C373-Y392 WeakPolarHBondContact CA-O 3.3Å; C373-Y392 VanDerWaalsContact CB-O 3.29Å; C373-Y392 WeakPolarHBondContact CB-O 3.46Å
374V98.5Very high94.5Very high0 Ų026.3 Ų26.30%017%0.166CC..EExtended strand (participates in β ladder)trans-108.2120.4170.7176.70000109.2S319 L321 Y326 F391 Y392 W399S319-V374 VanDerWaalsContact OG-CG1 3.28Å; S319-V374 WeakPolarHBondContact OG-CG1 3.42Å; L321-V374 HydrophobicContact CB-CG2 4.1Å; L321-V374 HydrophobicContact CD2-CG2 3.93Å; Y326-V374 HydrophobicContact CD1-CG2 4.22Å; Y326-V374 HydrophobicContact CD2-CG2 3.71Å; Y326-V374 HydrophobicContact CE1-CG2 4.42Å; Y326-V374 HydrophobicContact CE2-CG2 3.94Å; Y326-V374 HydrophobicContact CG-CG2 3.87Å; V374-F391 CarbonylContact O-C 3.53Å; V374-F391 WeakPolarHBondContact O-CA 3.29Å; V374-Y392 PolarHBondContact N-O 2.61Å; V374-Y392 PolarHBondContact O-N 2.88Å; V374-W399 HydrophobicContact CG1-CH2 4.38Å
375Y98.7Very high94.4Very high12 Ų1224.6 Ų24.65%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-94.5142.8175.3-71.4-102000110.2S367 V368 L370 C373 E390 F391 I421 Y442S367-Y375 CarbonylContact C-O 3.49Å; S367-Y375 WeakPolarHBondContact CA-O 3.44Å; S367-Y375 WeakPolarHBondContact CB-O 3.33Å; V368-Y375 PolarHBondContact N-O 3.12Å; V368-Y375 PolarHBondContact O-N 2.94Å; L370-Y375 HydrophobicContact CB-CD2 4.13Å; L370-Y375 HydrophobicContact CB-CE2 3.93Å; C373-Y375 HydrophobicContact CB-CD2 4.44Å; C373-Y375 HydrophobicContact CB-CE2 3.96Å; Y375-E390 CarbonylContact C-O 3.57Å; Y375-E390 WeakPolarHBondContact CA-O 3.39Å; Y375-F391 HydrophobicContact CD1-CB 3.59Å; Y375-F391 HydrophobicContact CD1-CG 4.5Å; Y375-F391 HydrophobicContact CD2-CB 4.07Å; Y375-F391 HydrophobicContact CE1-CB 3.59Å; Y375-F391 HydrophobicContact CE1-CD1 4.03Å; Y375-F391 HydrophobicContact CE1-CG 4.04Å; Y375-F391 HydrophobicContact CE2-CB 4.09Å; Y375-F391 HydrophobicContact CG-CB 3.82Å; Y375-I421 HydrophobicContact CD1-CD1 3.8Å; Y375-I421 HydrophobicContact CD2-CD1 3.9Å; Y375-I421 HydrophobicContact CE1-CD1 4.3Å; Y375-I421 HydrophobicContact CE2-CD1 4.39Å; Y375-I421 HydrophobicContact CG-CD1 3.58Å; Y375-Y442 HydrophobicContact CD1-CE1 4.34Å; Y375-Y442 HydrophobicContact CE1-CD1 4.42Å; Y375-Y442 AromaticContact CE1-CE1 3.71Å; Y375-Y442 HydrophobicContact CE1-CE1 3.71Å
376T98.4Very high94.1Very high0 Ų026.4 Ų26.40%017%0.171CC..EExtended strand (participates in β ladder)trans-124.8133.8168.164.20000109.6T328 M358 C366 T389 E390 W399T328-T376 HydrophobicContact CG2-CG2 4.05Å; M358-T376 HydrophobicContact SD-CG2 3.75Å; C366-T376 WeakPolarHBondContact O-CA 3.44Å; T376-T389 WeakPolarHBondContact O-CA 3.31Å; T376-E390 PolarHBondContact N-O 2.86Å; T376-E390 PolarHBondContact O-N 2.94Å; T376-E390 WeakPolarHBondContact OG1-CG 3.36Å; T376-W399 HydrophobicContact CG2-CH2 3.58Å; T376-W399 HydrophobicContact CG2-CZ3 3.68Å
377I98.2Very high94.1Very high2 Ų229.7 Ų29.71%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-137.9123.5-159.7-56.1154.2000109.6H365 C366 V368 T389 M405 A414 I421 V423 W449H365-I377 WeakPolarHBondContact CB-O 3.48Å; C366-I377 HydrophobicContact CB-CB 4.4Å; C366-I377 PolarHBondContact N-O 3.01Å; C366-I377 PolarHBondContact O-N 3.33Å; V368-I377 HydrophobicContact CG2-CD1 4.09Å; I377-T389 HydrophobicContact CG1-CG2 3.9Å; I377-M405 HydrophobicContact CG2-CE 3.78Å; I377-M405 HydrophobicContact CG2-CG 4.04Å; I377-M405 HydrophobicContact CG2-SD 3.4Å; I377-M405 WeakPolarHBondContact CG2-SD 3.46Å; I377-A414 HydrophobicContact CD1-CB 4.43Å; I377-I421 HydrophobicContact CD1-CD1 4.35Å; I377-I421 HydrophobicContact CD1-CG2 3.66Å; I377-V423 HydrophobicContact CD1-CG2 4.4Å; I377-V423 HydrophobicContact CG2-CG2 3.93Å; I377-W449 HydrophobicContact CG2-CH2 3.75Å; I377-W449 HydrophobicContact CG2-CZ2 3.97Å
378G96.2Very high94Very high0 Ų031 Ų310%019%0.19CC..  trans60.2-137.6175.900000113.2R362 H365 E386 E388R362-G378 PolarHBondContact NH1-O 3.43Å; H365-G378 VanDerWaalsContact CB-O 3.3Å; H365-G378 WeakPolarHBondContact CB-O 3.49Å; G378-E386 WeakPolarHBondContact CA-O 3.48Å; G378-E388 PolarHBondContact N-O 3.37Å
379G95.1Very high94Very high0 Ų030.4 Ų30.40%019%0.187CC..  trans91.5-164.7-173.100000112.7Y363 P385 E386 V409Y363-G379 CarbonylContact O-C 3.42Å; Y363-G379 WeakPolarHBondContact O-CA 3.08Å; G379-P385 CarbonylContact O-C 3.59Å; G379-P385 WeakPolarHBondContact O-CA 3.38Å; G379-E386 PolarHBondContact O-N 3.2Å; G379-V409 PolarHBondContact N-O 2.88Å
380Y92.4Very high94Very high16 Ų1629.1 Ų29.16%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-115.1146.3178.7-70.9-82.5000112R362 Y363 Y364 A384 P385 G410 H427R362-Y380 WeakPolarHBondContact CA-O 3.22Å; Y363-Y380 WeakPolarHBondContact CD1-O 3.25Å; Y363-Y380 VanDerWaalsContact CE1-CB 3.5Å; Y363-Y380 VanDerWaalsContact CE1-O 3.32Å; Y363-Y380 WeakPolarHBondContact CE1-O 3.23Å; Y363-Y380 HydrophobicContact CE2-CD2 4.38Å; Y363-Y380 HydrophobicContact CE2-CG 4.34Å; Y363-Y380 PolarHBondContact N-O 2.86Å; Y363-Y380 VanDerWaalsContact N-O 3.12Å; Y363-Y380 PolarHBondContact O-N 3.48Å; Y364-Y380 HydrophobicContact CD2-CD2 4.09Å; Y380-A384 VanDerWaalsContact CA-O 3.31Å; Y380-A384 WeakPolarHBondContact CA-O 3.37Å; Y380-A384 VanDerWaalsContact CD1-C 3.5Å; Y380-P385 HydrophobicContact CD1-CG 4.26Å; Y380-P385 HydrophobicContact CE1-CB 4.23Å; Y380-P385 HydrophobicContact CE1-CG 3.66Å; Y380-G410 VanDerWaalsContact CE2-CA 3.45Å; Y380-H427 WeakPolarHBondContact OH-CB 3.45Å
381R89.6Confident94.1Very high120 Ų12030.2 Ų30.245%0.45318%0.18SC..EExtended strand (participates in β ladder)trans-139.9130.1163.9-171.1-179.6-175.7171.66.3108.9A361 G383 A384 E386A361-R381 WeakPolarHBondContact O-CD 3Å; A361-R381 WeakPolarHBondContact O-CG 3.28Å; R381-G383 PolarHBondContact O-N 3.48Å; R381-A384 PolarHBondContact N-O 3.25Å; R381-A384 PolarHBondContact O-N 3.41Å; R381-E386 HydrophobicContact CB-CG 3.76Å; R381-E386 WeakPolarHBondContact CB-OE1 3.26Å
382G84.3Confident94.4Very high83 Ų8327.5 Ų27.586%0.85617%0.167SC*.THydrogen-bonded Turntrans56.525.3-176.800000114.4A384G382-A384 VanDerWaalsContact C-N 3.34Å
383G82.7Confident94.5Very high27 Ų2726.6 Ų26.628%0.27816%0.157SC..THydrogen-bonded Turntrans80.14.4-177.500000115.9R381R381-G383 PolarHBondContact O-N 3.48Å
384A86.9Confident94.4Very high47 Ų4728.2 Ų28.239%0.38817%0.168SC..EExtended strand (participates in β ladder)trans-103.8137.7173.800000110.8Y380 R381 G382Y380-A384 VanDerWaalsContact CA-O 3.31Å; Y380-A384 WeakPolarHBondContact CA-O 3.37Å; Y380-A384 VanDerWaalsContact CD1-C 3.5Å; R381-A384 PolarHBondContact N-O 3.25Å; R381-A384 PolarHBondContact O-N 3.41Å; G382-A384 VanDerWaalsContact C-N 3.34Å
385P91.6Very high94.1Very high29 Ų2930.7 Ų30.719%0.18818%0.181CC..EExtended strand (participates in β ladder)trans-64131.6170.6-14.925.1000111.1G379 Y380 G408G379-P385 CarbonylContact O-C 3.59Å; G379-P385 WeakPolarHBondContact O-CA 3.38Å; Y380-P385 HydrophobicContact CD1-CG 4.26Å; Y380-P385 HydrophobicContact CE1-CB 4.23Å; Y380-P385 HydrophobicContact CE1-CG 3.66Å; P385-G408 WeakPolarHBondContact CB-O 3.48Å
386E92Very high93.8Very high45 Ų4536.3 Ų36.321%0.2121%0.206CC..PPolyproline II helixtrans-95.2147.3-178.7-70.1-62.5156.800111.7G378 G379 R381 G408G378-E386 WeakPolarHBondContact CA-O 3.48Å; G379-E386 PolarHBondContact O-N 3.2Å; R381-E386 HydrophobicContact CB-CG 3.76Å; R381-E386 WeakPolarHBondContact CB-OE1 3.26Å; E386-G408 WeakPolarHBondContact O-CA 3.49Å
387Q95.5Very high93.7Very high79 Ų7942.7 Ų42.737%0.36923%0.233SC..  trans-98.3-8172.9-74.5174.7-22.500112.7T389 K404 M405 I406 G408Q387-T389 PolarHBondContact O-N 2.66Å; Q387-K404 HydrophobicContact CB-CB 4.16Å; Q387-K404 CarbonylContact O-C 3.53Å; Q387-K404 WeakPolarHBondContact O-CA 3.05Å; Q387-M405 HydrophobicContact CB-CB 4.49Å; Q387-M405 PolarHBondContact O-N 2.06Å; Q387-I406 PolarHBondContact NE2-O 3.37Å; Q387-G408 VanDerWaalsContact CG-N 3.27Å
388E96.9Very high93.6Very high38 Ų3849.5 Ų49.518%0.17826%0.259CS..  trans-67.2132.8-173.3-59-57152.800111.3R362 G378 K404R362-E388 PolarHBondContact NH1-O 2.93Å; G378-E388 PolarHBondContact N-O 3.37Å; E388-K404 WeakPolarHBondContact OE1-CE 3.36Å; E388-K404 IonicContact OE1-NZ 3.73Å; E388-K404 PolarHBondContact OE1-NZ 2.92Å; E388-K404 VanDerWaalsContact OE2-CE 3.32Å; E388-K404 WeakPolarHBondContact OE2-CE 3.26Å; E388-K404 IonicContact OE2-NZ 3.44Å
389T98.1Very high93.8Very high1 Ų150.1 Ų50.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-122.2132171.6-56.80000108.2T376 I377 Q387 V402 W449T376-T389 WeakPolarHBondContact O-CA 3.31Å; I377-T389 HydrophobicContact CG1-CG2 3.9Å; Q387-T389 PolarHBondContact O-N 2.66Å; T389-V402 HydrophobicContact CG2-CG2 3.42Å; T389-V402 VanDerWaalsContact CG2-CG2 3.42Å; T389-V402 VanDerWaalsContact O-CG2 3.3Å; T389-V402 WeakPolarHBondContact O-CG2 3.24Å; T389-V402 PolarHBondContact O-N 3.39Å; T389-W449 HydrophobicContact CG2-CZ2 4.03Å; T389-W449 WeakPolarHBondContact OG1-CZ2 3.33Å
390E98.3Very high93.9Very high3 Ų352.2 Ų52.21%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-140.4152.9178.560.6-176.113800110.8I359 T360 R362 Y375 T376 W399 F400I359-E390 WeakPolarHBondContact CA-OE2 3.44Å; I359-E390 WeakPolarHBondContact CB-OE2 3.4Å; I359-E390 HydrophobicContact CD1-CB 4.46Å; I359-E390 WeakPolarHBondContact CD1-OE2 3.26Å; I359-E390 WeakPolarHBondContact CG1-OE2 3.48Å; I359-E390 PolarHBondContact N-OE2 2.86Å; T360-E390 PolarHBondContact N-OE1 2.79Å; T360-E390 VanDerWaalsContact N-OE1 3.14Å; R362-E390 IonicContact CZ-OE1 3.45Å; R362-E390 IonicContact NE-OE1 3.83Å; R362-E390 IonicContact NH2-OE1 2.79Å; R362-E390 PolarHBondContact NH2-OE1 3.46Å; Y375-E390 CarbonylContact C-O 3.57Å; Y375-E390 WeakPolarHBondContact CA-O 3.39Å; T376-E390 PolarHBondContact N-O 2.86Å; T376-E390 PolarHBondContact O-N 2.94Å; T376-E390 WeakPolarHBondContact OG1-CG 3.36Å; E390-W399 HydrophobicContact CB-CE3 4.31Å; E390-W399 HydrophobicContact CG-CE3 3.78Å; E390-W399 HydrophobicContact CG-CZ3 4.15Å; E390-F400 CarbonylContact C-O 3.55Å; E390-F400 WeakPolarHBondContact CA-O 3.32Å; E390-F400 WeakPolarHBondContact CB-O 3.41Å
391F98.3Very high94.2Very high33 Ų3355 Ų5515%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-127.2147.8173.676.3-89.3000112.5C373 V374 Y375 D393 W399 F400 V402C373-F391 HydrophobicContact CB-CB 4.45Å; C373-F391 HydrophobicContact CB-CD2 3.86Å; V374-F391 CarbonylContact O-C 3.53Å; V374-F391 WeakPolarHBondContact O-CA 3.29Å; Y375-F391 HydrophobicContact CD1-CB 3.59Å; Y375-F391 HydrophobicContact CD1-CG 4.5Å; Y375-F391 HydrophobicContact CD2-CB 4.07Å; Y375-F391 HydrophobicContact CE1-CB 3.59Å; Y375-F391 HydrophobicContact CE1-CD1 4.03Å; Y375-F391 HydrophobicContact CE1-CG 4.04Å; Y375-F391 HydrophobicContact CE2-CB 4.09Å; Y375-F391 HydrophobicContact CG-CB 3.82Å; F391-D393 HydrophobicContact CE2-CB 4.13Å; F391-W399 VanDerWaalsContact C-CE3 3.4Å; F391-W399 CarbonylContact O-C 3.56Å; F391-W399 VanDerWaalsContact O-CA 3.29Å; F391-W399 WeakPolarHBondContact O-CA 3.35Å; F391-F400 HydrophobicContact CD1-CB 4.05Å; F391-F400 HydrophobicContact CE1-CB 3.58Å; F391-F400 HydrophobicContact CE1-CG 4.34Å; F391-F400 HydrophobicContact CE2-CB 4.29Å; F391-F400 HydrophobicContact CE2-CD2 4.03Å; F391-F400 HydrophobicContact CE2-CG 4.36Å; F391-F400 HydrophobicContact CZ-CB 3.72Å; F391-F400 HydrophobicContact CZ-CD2 4.1Å; F391-F400 AromaticContact CZ-CG 3.97Å; F391-F400 HydrophobicContact CZ-CG 3.97Å; F391-F400 PolarHBondContact N-O 2.86Å; F391-F400 PolarHBondContact O-N 3.45Å; F391-V402 HydrophobicContact CD1-CG1 3.48Å; F391-V402 VanDerWaalsContact CD1-CG1 3.48Å; F391-V402 HydrophobicContact CE1-CG1 3.55Å
392Y98.6Very high94.6Very high21 Ų2150.1 Ų50.18%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-94.3127.3172.5179.6-114.8000110.2Y326 C356 C373 V374 P394 W399Y326-Y392 AromaticContact CE1-CD1 3.87Å; Y326-Y392 HydrophobicContact CE1-CD1 3.87Å; Y326-Y392 AromaticContact CE1-CE1 3.78Å; Y326-Y392 HydrophobicContact CE1-CE1 3.78Å; C356-Y392 HydrophobicContact CB-CE2 3.95Å; C373-Y392 WeakPolarHBondContact CA-O 3.3Å; C373-Y392 VanDerWaalsContact CB-O 3.29Å; C373-Y392 WeakPolarHBondContact CB-O 3.46Å; V374-Y392 PolarHBondContact N-O 2.61Å; V374-Y392 PolarHBondContact O-N 2.88Å; Y392-P394 HydrophobicContact CD1-CG 4Å; Y392-P394 HydrophobicContact CE1-CB 4.02Å; Y392-P394 HydrophobicContact CE1-CG 3.89Å; Y392-P394 WeakPolarHBondContact O-CD 3.47Å; Y392-W399 AromaticContact CD2-CD1 3.9Å; Y392-W399 HydrophobicContact CD2-CD2 4.26Å; Y392-W399 AromaticContact CD2-CE2 3.91Å; Y392-W399 HydrophobicContact CD2-CG 4.25Å; Y392-W399 HydrophobicContact CD2-CZ2 4.45Å; Y392-W399 AromaticContact CD2-NE1 3.69Å; Y392-W399 HydrophobicContact CG-CD2 4.44Å; Y392-W399 HydrophobicContact CG-CZ2 4.18Å
393D96.9Very high95.3Very high1 Ų147.4 Ų47.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-99.4108.6170.4-178.9-28.1000108.7R132 F391 L395 K396 K397 R398 F400R132-D393 VanDerWaalsContact CZ-CG 3.49Å; R132-D393 IonicContact CZ-OD1 2.7Å; R132-D393 IonicContact CZ-OD2 3.7Å; R132-D393 IonicContact NH1-OD1 3.47Å; R132-D393 PolarHBondContact NH1-OD1 3.49Å; R132-D393 IonicContact NH1-OD2 2.64Å; R132-D393 IonicContact NH2-OD2 2.91Å; R132-D393 PolarHBondContact NH2-OD2 3.5Å; F391-D393 HydrophobicContact CE2-CB 4.13Å; D393-L395 PolarHBondContact O-N 3.3Å; D393-L395 WeakPolarHBondContact OD1-CB 3.36Å; D393-L395 PolarHBondContact OD1-N 2.76Å; D393-K396 HydrophobicContact CB-CB 4.13Å; D393-K396 HydrophobicContact CB-CG 4.48Å; D393-K396 PolarHBondContact O-N 3.03Å; D393-K396 PolarHBondContact OD1-N 2.98Å; D393-K396 VanDerWaalsContact OD1-N 3.13Å; D393-K396 WeakPolarHBondContact OD2-CD 3.49Å; D393-K396 VanDerWaalsContact OD2-CE 3.24Å; D393-K396 WeakPolarHBondContact OD2-CE 3.36Å; D393-K396 WeakPolarHBondContact OD2-CG 3.43Å; D393-K396 IonicContact OD2-NZ 3.47Å; D393-K396 PolarHBondContact OD2-NZ 3.13Å; D393-K396 VanDerWaalsContact OD2-NZ 3.07Å; D393-K397 WeakPolarHBondContact O-CA 3.38Å; D393-K397 PolarHBondContact O-N 3.06Å; D393-R398 PolarHBondContact N-O 3.24Å; D393-R398 PolarHBondContact O-N 2.78Å; D393-F400 HydrophobicContact CB-CD2 4.26Å; D393-F400 HydrophobicContact CB-CE2 3.89Å
394P94.4Very high96Very high36 Ų3651.5 Ų51.523%0.23426%0.256CS..THydrogen-bonded Turntrans-62.2-25.9-179.3-24.234.2000114.6L321 G372 Y392 K397L321-P394 HydrophobicContact CD2-CG 3.75Å; G372-P394 VanDerWaalsContact O-CD 3.24Å; G372-P394 WeakPolarHBondContact O-CD 3.28Å; Y392-P394 HydrophobicContact CD1-CG 4Å; Y392-P394 HydrophobicContact CE1-CB 4.02Å; Y392-P394 HydrophobicContact CE1-CG 3.89Å; Y392-P394 WeakPolarHBondContact O-CD 3.47Å; P394-K397 WeakPolarHBondContact O-CG 3.34Å
395L92.6Very high96.5Very high52 Ų5249.5 Ų49.527%0.27224%0.238SC..THydrogen-bonded Turntrans-73.7-43.1176.9-63.4-176.1000111.2E128 F129 R132 D393 K397E128-L395 VanDerWaalsContact C-CD2 3.47Å; E128-L395 HydrophobicContact CB-CD2 3.54Å; E128-L395 WeakPolarHBondContact O-CD2 3.46Å; F129-L395 HydrophobicContact CB-CD1 4.32Å; F129-L395 HydrophobicContact CD2-CD1 3.83Å; F129-L395 HydrophobicContact CG-CD1 4.37Å; R132-L395 HydrophobicContact CB-CD1 3.92Å; R132-L395 HydrophobicContact CB-CG 4.22Å; R132-L395 HydrophobicContact CG-CD1 4.18Å; D393-L395 PolarHBondContact O-N 3.3Å; D393-L395 WeakPolarHBondContact OD1-CB 3.36Å; D393-L395 PolarHBondContact OD1-N 2.76Å; L395-K397 VanDerWaalsContact C-N 3.3Å
396K93.6Very high96.7Very high130 Ų13051.7 Ų51.757%0.56525%0.248SC*.THydrogen-bonded Turntrans-83.6-11179.8-62.3178.8-166.8142.30112.6D393 R398 F400D393-K396 HydrophobicContact CB-CB 4.13Å; D393-K396 HydrophobicContact CB-CG 4.48Å; D393-K396 PolarHBondContact O-N 3.03Å; D393-K396 PolarHBondContact OD1-N 2.98Å; D393-K396 VanDerWaalsContact OD1-N 3.13Å; D393-K396 WeakPolarHBondContact OD2-CD 3.49Å; D393-K396 VanDerWaalsContact OD2-CE 3.24Å; D393-K396 WeakPolarHBondContact OD2-CE 3.36Å; D393-K396 WeakPolarHBondContact OD2-CG 3.43Å; D393-K396 IonicContact OD2-NZ 3.47Å; D393-K396 PolarHBondContact OD2-NZ 3.13Å; D393-K396 VanDerWaalsContact OD2-NZ 3.07Å; K396-R398 PolarHBondContact O-N 3.24Å; K396-F400 HydrophobicContact CB-CE2 4.23Å; K396-F400 HydrophobicContact CB-CZ 4.33Å; K396-F400 HydrophobicContact CD-CE2 3.98Å; K396-F400 HydrophobicContact CD-CZ 3.53Å
397K95.1Very high96.9Very high134 Ų13452.2 Ų52.258%0.58325%0.25SC*.THydrogen-bonded Turntrans49.246.9-176.6-59.2-177.2-179-177.50111.2C356 D393 P394 L395C356-K397 PolarHBondContact SG-O 3.49Å; D393-K397 WeakPolarHBondContact O-CA 3.38Å; D393-K397 PolarHBondContact O-N 3.06Å; P394-K397 WeakPolarHBondContact O-CG 3.34Å; L395-K397 VanDerWaalsContact C-N 3.3Å
398R97.6Very high96.8Very high144 Ų14448.5 Ų48.554%0.54323%0.233SC..EExtended strand (participates in β ladder)trans-152147.5-173.8-165.4176.469.6175.8-0.4111.7D393 K396 F400D393-R398 PolarHBondContact N-O 3.24Å; D393-R398 PolarHBondContact O-N 2.78Å; K396-R398 PolarHBondContact O-N 3.24Å; R398-F400 HydrophobicContact CB-CE2 4.02Å; R398-F400 WeakPolarHBondContact O-CD2 3.28Å; R398-F400 WeakPolarHBondContact O-CE2 3.47Å
399W98.6Very high96.7Very high14 Ų1446.9 Ų46.95%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-86.2145.7170.9-67.988.9000112.1T328 V342 C356 P357 M358 I359 V374 T376 E390 F391 Y392T328-W399 HydrophobicContact CG2-CH2 4.19Å; T328-W399 HydrophobicContact CG2-CZ2 4.4Å; V342-W399 HydrophobicContact CG2-CZ2 3.88Å; C356-W399 PolarHBondContact O-NE1 2.74Å; P357-W399 PolarHBondContact O-NE1 3.28Å; M358-W399 HydrophobicContact CB-CD2 4.45Å; M358-W399 HydrophobicContact CG-CD2 4.17Å; M358-W399 HydrophobicContact CG-CE3 4.45Å; M358-W399 HydrophobicContact CG-CH2 3.97Å; M358-W399 HydrophobicContact CG-CZ2 3.62Å; M358-W399 HydrophobicContact CG-CZ3 4.37Å; M358-W399 HydrophobicContact SD-CH2 4.37Å; I359-W399 HydrophobicContact CD1-CB 4.06Å; I359-W399 HydrophobicContact CG1-CB 3.77Å; V374-W399 HydrophobicContact CG1-CH2 4.38Å; T376-W399 HydrophobicContact CG2-CH2 3.58Å; T376-W399 HydrophobicContact CG2-CZ3 3.68Å; E390-W399 HydrophobicContact CB-CE3 4.31Å; E390-W399 HydrophobicContact CG-CE3 3.78Å; E390-W399 HydrophobicContact CG-CZ3 4.15Å; F391-W399 VanDerWaalsContact C-CE3 3.4Å; F391-W399 CarbonylContact O-C 3.56Å; F391-W399 VanDerWaalsContact O-CA 3.29Å; F391-W399 WeakPolarHBondContact O-CA 3.35Å; Y392-W399 AromaticContact CD2-CD1 3.9Å; Y392-W399 HydrophobicContact CD2-CD2 4.26Å; Y392-W399 AromaticContact CD2-CE2 3.91Å; Y392-W399 HydrophobicContact CD2-CG 4.25Å; Y392-W399 HydrophobicContact CD2-CZ2 4.45Å; Y392-W399 AromaticContact CD2-NE1 3.69Å; Y392-W399 HydrophobicContact CG-CD2 4.44Å; Y392-W399 HydrophobicContact CG-CZ2 4.18Å
400F98.4Very high96.4Very high43 Ų4346.8 Ų46.819%0.18923%0.225CC..EExtended strand (participates in β ladder)trans-131.6130.2-179.6-67-100.9000109.6E390 F391 D393 K396 R398E390-F400 CarbonylContact C-O 3.55Å; E390-F400 WeakPolarHBondContact CA-O 3.32Å; E390-F400 WeakPolarHBondContact CB-O 3.41Å; F391-F400 HydrophobicContact CD1-CB 4.05Å; F391-F400 HydrophobicContact CE1-CB 3.58Å; F391-F400 HydrophobicContact CE1-CG 4.34Å; F391-F400 HydrophobicContact CE2-CB 4.29Å; F391-F400 HydrophobicContact CE2-CD2 4.03Å; F391-F400 HydrophobicContact CE2-CG 4.36Å; F391-F400 HydrophobicContact CZ-CB 3.72Å; F391-F400 HydrophobicContact CZ-CD2 4.1Å; F391-F400 AromaticContact CZ-CG 3.97Å; F391-F400 HydrophobicContact CZ-CG 3.97Å; F391-F400 PolarHBondContact N-O 2.86Å; F391-F400 PolarHBondContact O-N 3.45Å; D393-F400 HydrophobicContact CB-CD2 4.26Å; D393-F400 HydrophobicContact CB-CE2 3.89Å; K396-F400 HydrophobicContact CB-CE2 4.23Å; K396-F400 HydrophobicContact CB-CZ 4.33Å; K396-F400 HydrophobicContact CD-CE2 3.98Å; K396-F400 HydrophobicContact CD-CZ 3.53Å; R398-F400 HydrophobicContact CB-CE2 4.02Å; R398-F400 WeakPolarHBondContact O-CD2 3.28Å; R398-F400 WeakPolarHBondContact O-CE2 3.47Å
401S98.1Very high96.1Very high76 Ų7648 Ų4853%0.53123%0.231SC..EExtended strand (participates in β ladder)trans-72.2140.4170.8-170.20000110.2
402V98.2Very high96Very high17 Ų1747.2 Ų47.210%0.10323%0.231CC..  trans-123.2-172.4172.1-68.90000110.1T389 F391 K404 Y442 N447T389-V402 HydrophobicContact CG2-CG2 3.42Å; T389-V402 VanDerWaalsContact CG2-CG2 3.42Å; T389-V402 VanDerWaalsContact O-CG2 3.3Å; T389-V402 WeakPolarHBondContact O-CG2 3.24Å; T389-V402 PolarHBondContact O-N 3.39Å; F391-V402 HydrophobicContact CD1-CG1 3.48Å; F391-V402 VanDerWaalsContact CD1-CG1 3.48Å; F391-V402 HydrophobicContact CE1-CG1 3.55Å; V402-K404 PolarHBondContact O-N 3.07Å; V402-Y442 WeakPolarHBondContact CB-OH 3.43Å; V402-Y442 HydrophobicContact CG2-CE2 4.41Å; V402-N447 WeakPolarHBondContact CB-OD1 2.95Å
403A98.2Very high95.8Very high26 Ų2647 Ų4722%0.21523%0.232CC..PPolyproline II helixtrans-56.6139.5178.900000111.3Y442 N447 W449A403-Y442 HydrophobicContact CB-CE2 4.35Å; A403-N447 WeakPolarHBondContact CB-O 3.46Å; A403-N447 WeakPolarHBondContact CB-OD1 3.34Å; A403-N447 PolarHBondContact N-OD1 3.06Å; A403-W449 PolarHBondContact O-NE1 2.84Å
404K98Very high95.8Very high113 Ų11347.8 Ų47.849%0.49124%0.239SC..PPolyproline II helixtrans-74.3145.9179.8-58.5-169.1-173.9-161.90110.5Q387 E388 V402 W449Q387-K404 HydrophobicContact CB-CB 4.16Å; Q387-K404 CarbonylContact O-C 3.53Å; Q387-K404 WeakPolarHBondContact O-CA 3.05Å; E388-K404 WeakPolarHBondContact OE1-CE 3.36Å; E388-K404 IonicContact OE1-NZ 3.73Å; E388-K404 PolarHBondContact OE1-NZ 2.92Å; E388-K404 VanDerWaalsContact OE2-CE 3.32Å; E388-K404 WeakPolarHBondContact OE2-CE 3.26Å; E388-K404 IonicContact OE2-NZ 3.44Å; V402-K404 PolarHBondContact O-N 3.07Å; K404-W449 VanDerWaalsContact C-CD1 3.43Å
405M97.4Very high95.9Very high5 Ų546.6 Ų46.63%0.02523%0.231CC..PPolyproline II helixtrans-56.1150172.3-58.6-176.777.300110.8I377 Q387 Q407 V409 V423 W449I377-M405 HydrophobicContact CG2-CE 3.78Å; I377-M405 HydrophobicContact CG2-CG 4.04Å; I377-M405 HydrophobicContact CG2-SD 3.4Å; I377-M405 WeakPolarHBondContact CG2-SD 3.46Å; Q387-M405 HydrophobicContact CB-CB 4.49Å; Q387-M405 PolarHBondContact O-N 2.06Å; M405-Q407 VanDerWaalsContact C-N 3.33Å; M405-V409 HydrophobicContact CE-CG2 3.72Å; M405-V409 HydrophobicContact SD-CG2 4.35Å; M405-V423 HydrophobicContact CE-CB 4.08Å; M405-V423 HydrophobicContact CE-CG1 3.79Å; M405-V423 HydrophobicContact CE-CG2 4.14Å; M405-W449 HydrophobicContact CE-CH2 4.22Å; M405-W449 HydrophobicContact CE-CZ3 4.3Å; M405-W449 HydrophobicContact CG-CD2 4.39Å; M405-W449 HydrophobicContact CG-CH2 4.15Å; M405-W449 HydrophobicContact CG-CZ2 3.76Å
406I96.9Very high96.1Very high75 Ų7546 Ų4639%0.38523%0.23SC..SBendtrans-62.5-46.6174.5-64.1165.8000109.5Q387 W449 I451Q387-I406 PolarHBondContact NE2-O 3.37Å; I406-W449 HydrophobicContact CD1-CB 4.2Å; I406-W449 HydrophobicContact CG1-CB 3.93Å; I406-I451 HydrophobicContact CD1-CD1 4.18Å; I406-I451 HydrophobicContact CD1-CG1 3.81Å; I406-I451 HydrophobicContact CG2-CD1 4.35Å
407Q95.1Very high96Very high56 Ų5640 Ų4026%0.26220%0.204SC..SBendtrans-126126.3174.4-179.356.862.700109.7M405 V409 Y428 Y436 Q440M405-Q407 VanDerWaalsContact C-N 3.33Å; Q407-V409 HydrophobicContact CG-CG1 4.28Å; Q407-Y428 HydrophobicContact CG-CG 4.39Å; Q407-Y436 HydrophobicContact CB-CD2 4.22Å; Q407-Y436 HydrophobicContact CB-CE1 3.97Å; Q407-Y436 HydrophobicContact CB-CE2 3.64Å; Q407-Y436 VanDerWaalsContact CB-CZ 3.48Å; Q407-Y436 HydrophobicContact CG-CD2 3.71Å; Q407-Y436 HydrophobicContact CG-CE1 4.42Å; Q407-Y436 HydrophobicContact CG-CE2 3.57Å; Q407-Y436 HydrophobicContact CG-CG 4.21Å; Q407-Q440 PolarHBondContact O-NE2 2.76Å; Q407-Q440 PolarHBondContact O-OE1 3.38Å
408G94.4Very high95.8Very high1 Ų135.8 Ų35.81%0.0120%0.198CC..  trans-70.5131173.300000109.8P385 E386 Q387P385-G408 WeakPolarHBondContact CB-O 3.48Å; E386-G408 WeakPolarHBondContact O-CA 3.49Å; Q387-G408 VanDerWaalsContact CG-N 3.27Å
409V94.3Very high95.5Very high3 Ų333.9 Ų33.92%0.01820%0.195CC..  trans-138144.5-176.5-67.70000109.9G379 M405 Q407 A412 V423 H427 Y436G379-V409 PolarHBondContact N-O 2.88Å; M405-V409 HydrophobicContact CE-CG2 3.72Å; M405-V409 HydrophobicContact SD-CG2 4.35Å; Q407-V409 HydrophobicContact CG-CG1 4.28Å; V409-A412 HydrophobicContact CB-CB 4.19Å; V409-A412 HydrophobicContact CG2-CB 3.67Å; V409-V423 HydrophobicContact CG2-CG1 4.11Å; V409-H427 WeakPolarHBondContact CA-O 3.48Å; V409-Y436 HydrophobicContact CG1-CD1 4.03Å; V409-Y436 HydrophobicContact CG1-CG 4.02Å
410G92.6Very high95.4Very high0 Ų037.2 Ų37.20%021%0.21CC..BIsolated β-bridgetrans-127.6156.1168.800000111.3Y380 A412 G426 H427Y380-G410 VanDerWaalsContact CE2-CA 3.45Å; G410-A412 PolarHBondContact O-N 2.85Å; G410-G426 WeakPolarHBondContact O-CA 3.5Å; G410-H427 PolarHBondContact N-O 2.75Å; G410-H427 PolarHBondContact O-N 3.41Å
411N92Very high95.4Very high28 Ų2835.2 Ų35.215%0.1520%0.201CC..SBendtrans56.531.1-167.9-151.322.2000112.6Y364 G426 E503Y364-N411 HydrophobicContact CD1-CB 4.36Å; Y364-N411 HydrophobicContact CG-CB 4.5Å; Y364-N411 PolarHBondContact O-N 3.44Å; N411-G426 WeakPolarHBondContact O-CA 3.32Å; N411-E503 PolarHBondContact ND2-OE1 3.45Å
412A94.4Very high95.4Very high16 Ų1632.1 Ų32.113%0.13218%0.178CC..  trans-83.4173.2170.100000109.9C366 V409 G410 V423C366-A412 PolarHBondContact SG-O 3.29Å; V409-A412 HydrophobicContact CB-CB 4.19Å; V409-A412 HydrophobicContact CG2-CB 3.67Å; G410-A412 PolarHBondContact O-N 2.85Å; A412-V423 HydrophobicContact CB-CG1 3.95Å
413T95.2Very high95.3Very high18 Ų1831.4 Ų31.411%0.1117%0.174CC..EExtended strand (participates in β ladder)trans-117.7147.8169.4-175.10000110.4V423 T424 L462 S464T413-V423 WeakPolarHBondContact O-CA 3.39Å; T413-T424 PolarHBondContact N-O 3.35Å; T413-T424 VanDerWaalsContact N-O 3.08Å; T413-T424 PolarHBondContact O-N 3.37Å; T413-L462 WeakPolarHBondContact CB-O 3.11Å; T413-L462 HydrophobicContact CG2-CB 4.3Å; T413-S464 WeakPolarHBondContact CG2-OG 3.29Å; T413-S464 WeakPolarHBondContact OG1-CB 3.27Å; T413-S464 PolarHBondContact OG1-N 2.92Å; T413-S464 PolarHBondContact OG1-OG 3.47Å
414A96.7Very high95.2Very high17 Ų1730.2 Ų30.214%0.1416%0.164CC..EExtended strand (participates in β ladder)trans-133.9147.3174.600000111.3C366 V368 I377 I421 Y422 V423 S464C366-A414 HydrophobicContact CB-CB 3.52Å; V368-A414 HydrophobicContact CG1-CB 3.91Å; I377-A414 HydrophobicContact CD1-CB 4.43Å; A414-I421 HydrophobicContact CB-CG2 4.49Å; A414-Y422 CarbonylContact C-O 3.37Å; A414-Y422 WeakPolarHBondContact CA-O 3.36Å; A414-Y422 WeakPolarHBondContact CB-O 3.5Å; A414-V423 HydrophobicContact CB-CG2 4.01Å; A414-S464 PolarHBondContact N-OG 3.49Å; A414-S464 PolarHBondContact O-OG 3.13Å
415C96.4Very high94.8Very high11 Ų1125 Ų257%0.07414%0.141CC..EExtended strand (participates in β ladder)trans-144.8161.2167.368.60000110.6Y422 S464 L471C415-Y422 PolarHBondContact N-O 2.94Å; C415-Y422 PolarHBondContact O-N 3.38Å; C415-S464 PolarHBondContact N-OG 3.26Å; C415-L471 WeakPolarHBondContact SG-CD1 3.13Å
416V96.4Very high94.4Very high40 Ų4024.8 Ų24.824%0.24214%0.141CC..EExtended strand (participates in β ladder)trans-96.1135.7173.3171.70000108.4V368 A369 L370 G418 K420 I421 S466V368-V416 HydrophobicContact CB-CG2 3.89Å; V368-V416 HydrophobicContact CG2-CG2 3.89Å; A369-V416 WeakPolarHBondContact O-CG2 3.41Å; L370-V416 HydrophobicContact CB-CG2 4.12Å; L370-V416 HydrophobicContact CD1-CG1 3.79Å; V416-G418 WeakPolarHBondContact CG1-O 3.28Å; V416-K420 WeakPolarHBondContact CA-O 3.15Å; V416-I421 HydrophobicContact CG2-CG1 4.22Å; V416-S466 WeakPolarHBondContact O-CB 3.15Å
417M92.9Very high94.1Very high4 Ų423 Ų232%0.0213%0.131CC..EExtended strand (participates in β ladder)trans-143.4114.9176.4-178.8169.357.800108E419 K420 Y422 S466 N469 L471 T486M417-E419 PolarHBondContact O-N 3.42Å; M417-K420 PolarHBondContact N-O 2.92Å; M417-K420 VanDerWaalsContact N-O 3.09Å; M417-K420 PolarHBondContact O-N 3.4Å; M417-Y422 HydrophobicContact CB-CD2 4.02Å; M417-Y422 HydrophobicContact CB-CE2 3.91Å; M417-Y422 HydrophobicContact CE-CD1 4.1Å; M417-Y422 HydrophobicContact CE-CD2 3.88Å; M417-Y422 HydrophobicContact CE-CE1 3.71Å; M417-Y422 HydrophobicContact CE-CE2 3.48Å; M417-Y422 VanDerWaalsContact CE-CE2 3.48Å; M417-Y422 HydrophobicContact CE-CG 4.2Å; M417-Y422 VanDerWaalsContact CE-CZ 3.41Å; M417-S466 WeakPolarHBondContact CG-OG 3.39Å; M417-N469 WeakPolarHBondContact CG-OD1 3.4Å; M417-L471 HydrophobicContact CE-CB 3.95Å; M417-L471 HydrophobicContact SD-CB 4.08Å; M417-L471 PolarHBondContact SD-N 3.45Å; M417-T486 HydrophobicContact CE-CG2 3.28Å; M417-T486 HydrophobicContact SD-CG2 4.24Å
418G89.1Confident93.7Very high44 Ų4424.1 Ų24.145%0.45413%0.133SC..THydrogen-bonded Turntrans52.9-133.8-162.100000110.9V416 K420V416-G418 WeakPolarHBondContact CG1-O 3.28Å; G418-K420 VanDerWaalsContact C-N 3.28Å; G418-K420 PolarHBondContact O-N 2.84Å
419E92.4Very high92.9Very high105 Ų10525.4 Ų25.449%0.49115%0.147SC..THydrogen-bonded Turntrans-89.219.4-173.9-58.3-65.499.200113.9H371 M417 P444H371-E419 IonicContact CD2-OE2 3.07Å; H371-E419 IonicContact CE1-OE2 3.85Å; H371-E419 PolarHBondContact CE1-OE2 2.56Å; H371-E419 IonicContact NE2-OE1 3.46Å; H371-E419 IonicContact NE2-OE2 3.49Å; H371-E419 PolarHBondContact NE2-OE2 3.19Å; M417-E419 PolarHBondContact O-N 3.42Å; E419-P444 WeakPolarHBondContact O-CD 3.32Å
420K96.6Very high91.8Very high84 Ų8433.7 Ų33.737%0.36518%0.179SC..EExtended strand (participates in β ladder)trans-134.8152-169.7-59.4178.5-169.31640112V416 M417 G418 Y422 V441 R443V416-K420 WeakPolarHBondContact CA-O 3.15Å; M417-K420 PolarHBondContact N-O 2.92Å; M417-K420 VanDerWaalsContact N-O 3.09Å; M417-K420 PolarHBondContact O-N 3.4Å; G418-K420 VanDerWaalsContact C-N 3.28Å; G418-K420 PolarHBondContact O-N 2.84Å; K420-Y422 HydrophobicContact CB-CD2 4.39Å; K420-Y422 HydrophobicContact CB-CE2 3.74Å; K420-V441 HydrophobicContact CB-CG1 3.93Å; K420-V441 HydrophobicContact CD-CG1 3.95Å; K420-V441 HydrophobicContact CG-CG1 4.41Å; K420-R443 HydrophobicContact CD-CG 4.12Å; K420-R443 HydrophobicContact CG-CG 4.17Å
421I98.4Very high90.6Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-104.5126174.9-51175.9000109.2V368 L370 Y375 I377 A414 V416 V441 Y442V368-I421 HydrophobicContact CG2-CD1 3.76Å; V368-I421 HydrophobicContact CG2-CG1 4.08Å; V368-I421 HydrophobicContact CG2-CG2 3.81Å; L370-I421 HydrophobicContact CD2-CD1 4.06Å; L370-I421 HydrophobicContact CD2-CG1 3.59Å; Y375-I421 HydrophobicContact CD1-CD1 3.8Å; Y375-I421 HydrophobicContact CD2-CD1 3.9Å; Y375-I421 HydrophobicContact CE1-CD1 4.3Å; Y375-I421 HydrophobicContact CE2-CD1 4.39Å; Y375-I421 HydrophobicContact CG-CD1 3.58Å; I377-I421 HydrophobicContact CD1-CD1 4.35Å; I377-I421 HydrophobicContact CD1-CG2 3.66Å; A414-I421 HydrophobicContact CB-CG2 4.49Å; V416-I421 HydrophobicContact CG2-CG1 4.22Å; I421-V441 CarbonylContact O-C 3.56Å; I421-V441 VanDerWaalsContact O-CA 3.29Å; I421-V441 WeakPolarHBondContact O-CA 3.41Å; I421-Y442 HydrophobicContact CD1-CD1 3.97Å; I421-Y442 HydrophobicContact CG1-CD1 4.42Å; I421-Y442 PolarHBondContact N-O 2.81Å; I421-Y442 VanDerWaalsContact N-O 3.12Å; I421-Y442 PolarHBondContact O-N 2.73Å
422Y97.6Very high89.5Confident12 Ų1242 Ų425%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-105.8132.7176.8-68.7-108000109A414 C415 M417 K420 V439 V441 V452 T486A414-Y422 CarbonylContact C-O 3.37Å; A414-Y422 WeakPolarHBondContact CA-O 3.36Å; A414-Y422 WeakPolarHBondContact CB-O 3.5Å; C415-Y422 PolarHBondContact N-O 2.94Å; C415-Y422 PolarHBondContact O-N 3.38Å; M417-Y422 HydrophobicContact CB-CD2 4.02Å; M417-Y422 HydrophobicContact CB-CE2 3.91Å; M417-Y422 HydrophobicContact CE-CD1 4.1Å; M417-Y422 HydrophobicContact CE-CD2 3.88Å; M417-Y422 HydrophobicContact CE-CE1 3.71Å; M417-Y422 HydrophobicContact CE-CE2 3.48Å; M417-Y422 VanDerWaalsContact CE-CE2 3.48Å; M417-Y422 HydrophobicContact CE-CG 4.2Å; M417-Y422 VanDerWaalsContact CE-CZ 3.41Å; K420-Y422 HydrophobicContact CB-CD2 4.39Å; K420-Y422 HydrophobicContact CB-CE2 3.74Å; Y422-V439 HydrophobicContact CD1-CG1 4.07Å; Y422-V441 HydrophobicContact CD1-CG2 3.41Å; Y422-V441 VanDerWaalsContact CD1-CG2 3.41Å; Y422-V441 HydrophobicContact CE1-CB 4.5Å; Y422-V441 HydrophobicContact CE1-CG1 4.25Å; Y422-V441 HydrophobicContact CE1-CG2 3.4Å; Y422-V441 VanDerWaalsContact CE1-CG2 3.4Å; Y422-V441 HydrophobicContact CE2-CG1 4.24Å; Y422-V441 HydrophobicContact CG-CG2 4.09Å; Y422-V452 HydrophobicContact CD1-CG1 4.4Å; Y422-V452 HydrophobicContact CE1-CG1 4.16Å; Y422-T486 HydrophobicContact CE1-CG2 4.3Å
423V96.9Very high88.6Confident2 Ų245.5 Ų45.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-122.9126.1174.7-175.60000109.2I377 M405 V409 A412 T413 A414 Q440 W449I377-V423 HydrophobicContact CD1-CG2 4.4Å; I377-V423 HydrophobicContact CG2-CG2 3.93Å; M405-V423 HydrophobicContact CE-CB 4.08Å; M405-V423 HydrophobicContact CE-CG1 3.79Å; M405-V423 HydrophobicContact CE-CG2 4.14Å; V409-V423 HydrophobicContact CG2-CG1 4.11Å; A412-V423 HydrophobicContact CB-CG1 3.95Å; T413-V423 WeakPolarHBondContact O-CA 3.39Å; A414-V423 HydrophobicContact CB-CG2 4.01Å; V423-Q440 PolarHBondContact N-O 3.39Å; V423-Q440 PolarHBondContact O-N 2.61Å; V423-W449 HydrophobicContact CB-CZ3 4.38Å; V423-W449 HydrophobicContact CG2-CH2 3.69Å; V423-W449 HydrophobicContact CG2-CZ3 3.78Å
424T94.4Very high88.1Confident1 Ų146.9 Ų46.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-129.3142.6-174-56.30000111.2T413 V439 L473T413-T424 PolarHBondContact N-O 3.35Å; T413-T424 VanDerWaalsContact N-O 3.08Å; T413-T424 PolarHBondContact O-N 3.37Å; T424-V439 HydrophobicContact CG2-CG2 4Å; T424-L473 HydrophobicContact CG2-CD1 3.76Å; T424-L473 HydrophobicContact CG2-CD2 3.91Å
425G90.5Very high87.6Confident2 Ų248.6 Ų48.62%0.02125%0.254CS..  trans70.7-147.9172.600000113Y436G425-Y436 VanDerWaalsContact CA-O 3.28Å; G425-Y436 WeakPolarHBondContact CA-O 3.29Å
426G89Confident87.4Confident2 Ų249.1 Ų49.12%0.02125%0.254CS..  trans80.7173.1-178.500000113.6G410 N411 T435 Y436G410-G426 WeakPolarHBondContact O-CA 3.5Å; N411-G426 WeakPolarHBondContact O-CA 3.32Å; G426-T435 WeakPolarHBondContact O-CA 3.11Å; G426-T435 WeakPolarHBondContact O-CG2 3.42Å; G426-Y436 PolarHBondContact O-N 2.53Å
427H89.8Confident87.2Confident38 Ų3851.9 Ų51.918%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-99.9140.6-173.4-71.8170.9000111.2Y380 V409 G410 C434 Y460Y380-H427 WeakPolarHBondContact OH-CB 3.45Å; V409-H427 WeakPolarHBondContact CA-O 3.48Å; G410-H427 PolarHBondContact N-O 2.75Å; G410-H427 PolarHBondContact O-N 3.41Å; H427-C434 CarbonylContact C-O 3.46Å; H427-C434 VanDerWaalsContact CA-O 3.3Å; H427-C434 WeakPolarHBondContact CA-O 3.38Å; H427-Y460 WeakPolarHBondContact NE2-CB 3.37Å; H427-Y460 AromaticContact NE2-CD1 3.66Å; H427-Y460 AromaticContact NE2-CG 3.38Å
428Y87.6Confident87.3Confident78 Ų7855.3 Ų55.331%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-133.2172.3170.380.2-76000111.1Q407 G432 S433 C434 T435 Y436Q407-Y428 HydrophobicContact CG-CG 4.39Å; Y428-G432 CarbonylContact O-C 3.22Å; Y428-G432 WeakPolarHBondContact O-CA 3.33Å; Y428-S433 PolarHBondContact O-N 3.14Å; Y428-C434 HydrophobicContact CD1-CB 3.69Å; Y428-C434 WeakPolarHBondContact CD1-O 3.39Å; Y428-C434 HydrophobicContact CE1-CB 3.22Å; Y428-C434 HydrophobicContact CE2-CB 4.14Å; Y428-C434 HydrophobicContact CG-CB 4.33Å; Y428-C434 VanDerWaalsContact CZ-CB 3.46Å; Y428-C434 PolarHBondContact N-O 3.27Å; Y428-C434 PolarHBondContact O-N 3.29Å; Y428-C434 VanDerWaalsContact O-N 3.16Å; Y428-T435 WeakPolarHBondContact CE1-O 3.29Å; Y428-Y436 HydrophobicContact CD1-CD2 4.09Å; Y428-Y436 HydrophobicContact CD1-CG 4.45Å; Y428-Y436 HydrophobicContact CE1-CD2 4.17Å
429G78.4Confident87.6Confident29 Ų2953.2 Ų53.230%0.29926%0.258SS..SBendtrans82.4179.1-176.400000113.5R431 G432G429-R431 PolarHBondContact O-N 2.97Å; G429-R431 VanDerWaalsContact O-N 3.16Å; G429-G432 PolarHBondContact O-N 2.68Å; G429-G432 VanDerWaalsContact O-N 3.08Å
430Y69.5Low87.8Confident177 Ų17748.3 Ų48.369%0.69424%0.235SC*.G310 helixtrans-63.2118.7-175.1-176.1-103000110.8G432Y430-G432 PolarHBondContact O-N 2.82Å
431R68.1Low87.9Confident191 Ų19144.5 Ų44.572%0.72122%0.218SC*.G310 helixtrans55.727.6-174.6-58.5-177.5179.7-154.5-2.2114.4G429G429-R431 PolarHBondContact O-N 2.97Å; G429-R431 VanDerWaalsContact O-N 3.16Å
432G68.6Low87.9Confident10 Ų1044.7 Ų44.710%0.10322%0.219CC..G310 helixtrans70.738.8175.800000114.1Y428 G429 Y430 C434Y428-G432 CarbonylContact O-C 3.22Å; Y428-G432 WeakPolarHBondContact O-CA 3.33Å; G429-G432 PolarHBondContact O-N 2.68Å; G429-G432 VanDerWaalsContact O-N 3.08Å; Y430-G432 PolarHBondContact O-N 2.82Å; G432-C434 PolarHBondContact O-N 2.74Å
433S75.8Confident87.9Confident91 Ų9147.8 Ų47.864%0.63623%0.231SC*.  trans-67.5-16.4-177.460.30000114.8Y428Y428-S433 PolarHBondContact O-N 3.14Å
434C84.1Confident87.9Confident47 Ų4748.9 Ų48.932%0.31824%0.238SC..EExtended strand (participates in β ladder)trans-131.4145.8-173.6-58.10000110.8H427 Y428 G432H427-C434 CarbonylContact C-O 3.46Å; H427-C434 VanDerWaalsContact CA-O 3.3Å; H427-C434 WeakPolarHBondContact CA-O 3.38Å; Y428-C434 HydrophobicContact CD1-CB 3.69Å; Y428-C434 WeakPolarHBondContact CD1-O 3.39Å; Y428-C434 HydrophobicContact CE1-CB 3.22Å; Y428-C434 HydrophobicContact CE2-CB 4.14Å; Y428-C434 HydrophobicContact CG-CB 4.33Å; Y428-C434 VanDerWaalsContact CZ-CB 3.46Å; Y428-C434 PolarHBondContact N-O 3.27Å; Y428-C434 PolarHBondContact O-N 3.29Å; Y428-C434 VanDerWaalsContact O-N 3.16Å; G432-C434 PolarHBondContact O-N 2.74Å
435T87.9Confident88Confident53 Ų5354.4 Ų54.433%0.32527%0.268SS..EExtended strand (participates in β ladder)trans-94.8137.6172.3-39.90000110.7G426 Y428 P458G426-T435 WeakPolarHBondContact O-CA 3.11Å; G426-T435 WeakPolarHBondContact O-CG2 3.42Å; Y428-T435 WeakPolarHBondContact CE1-O 3.29Å; T435-P458 WeakPolarHBondContact CB-O 3.26Å; T435-P458 WeakPolarHBondContact CG2-O 3.49Å
436Y91.7Very high88.3Confident22 Ų2257.2 Ų57.29%0.08628%0.284CS..  trans-91.7118.9-178.1-166.1-114.7000111.1Q407 V409 G425 G426 Y428 K438 Q440Q407-Y436 HydrophobicContact CB-CD2 4.22Å; Q407-Y436 HydrophobicContact CB-CE1 3.97Å; Q407-Y436 HydrophobicContact CB-CE2 3.64Å; Q407-Y436 VanDerWaalsContact CB-CZ 3.48Å; Q407-Y436 HydrophobicContact CG-CD2 3.71Å; Q407-Y436 HydrophobicContact CG-CE1 4.42Å; Q407-Y436 HydrophobicContact CG-CE2 3.57Å; Q407-Y436 HydrophobicContact CG-CG 4.21Å; V409-Y436 HydrophobicContact CG1-CD1 4.03Å; V409-Y436 HydrophobicContact CG1-CG 4.02Å; G425-Y436 VanDerWaalsContact CA-O 3.28Å; G425-Y436 WeakPolarHBondContact CA-O 3.29Å; G426-Y436 PolarHBondContact O-N 2.53Å; Y428-Y436 HydrophobicContact CD1-CD2 4.09Å; Y428-Y436 HydrophobicContact CD1-CG 4.45Å; Y428-Y436 HydrophobicContact CE1-CD2 4.17Å; Y436-K438 HydrophobicContact CD1-CB 4.39Å; Y436-K438 VanDerWaalsContact CD1-O 3.29Å; Y436-K438 WeakPolarHBondContact CD1-O 3.32Å; Y436-K438 HydrophobicContact CE1-CB 3.65Å; Y436-K438 HydrophobicContact CE1-CG 4.28Å; Y436-K438 WeakPolarHBondContact CE1-O 3.43Å; Y436-K438 HydrophobicContact CE2-CB 4.46Å; Y436-K438 HydrophobicContact CE2-CD 4.46Å; Y436-K438 HydrophobicContact CE2-CG 4.21Å; Y436-Q440 HydrophobicContact CE1-CG 3.77Å
437E91.9Very high88.7Confident97 Ų9760.5 Ų60.545%0.45330%0.301SS..  trans-89.1-14.6-173.766.7-173.8-176.900114.8L454 S455 P458E437-L454 HydrophobicContact CG-CD2 4.4Å; E437-S455 PolarHBondContact O-N 2.92Å; E437-P458 HydrophobicContact CB-CB 3.55Å; E437-P458 HydrophobicContact CB-CG 3.82Å
438K94.6Very high89.1Confident77 Ų7764 Ų6434%0.33532%0.318SS..EExtended strand (participates in β ladder)trans-89.4136.7-174.2-43.2-167.9178.1173.40110.8Y436 I451 L454Y436-K438 HydrophobicContact CD1-CB 4.39Å; Y436-K438 VanDerWaalsContact CD1-O 3.29Å; Y436-K438 WeakPolarHBondContact CD1-O 3.32Å; Y436-K438 HydrophobicContact CE1-CB 3.65Å; Y436-K438 HydrophobicContact CE1-CG 4.28Å; Y436-K438 WeakPolarHBondContact CE1-O 3.43Å; Y436-K438 HydrophobicContact CE2-CB 4.46Å; Y436-K438 HydrophobicContact CE2-CD 4.46Å; Y436-K438 HydrophobicContact CE2-CG 4.21Å; K438-I451 HydrophobicContact CB-CG1 4.45Å; K438-I451 HydrophobicContact CB-CG2 3.98Å; K438-I451 HydrophobicContact CD-CD1 3.76Å; K438-I451 HydrophobicContact CD-CG1 4.43Å; K438-I451 HydrophobicContact CD-CG2 4.29Å; K438-L454 HydrophobicContact CB-CD2 4.1Å; K438-L454 HydrophobicContact CD-CD2 4.25Å; K438-L454 HydrophobicContact CG-CD2 3.63Å
439V95.6Very high89.6Confident0 Ų061.5 Ų61.50%031%0.308CS..EExtended strand (participates in β ladder)trans-84.2118.4173.3-177.70000109Y422 T424 I451 V452 T453 W491Y422-V439 HydrophobicContact CD1-CG1 4.07Å; T424-V439 HydrophobicContact CG2-CG2 4Å; V439-I451 WeakPolarHBondContact O-CA 3.41Å; V439-V452 HydrophobicContact CB-CG1 3.97Å; V439-V452 HydrophobicContact CG1-CG1 3.82Å; V439-V452 PolarHBondContact O-N 3.5Å; V439-V452 VanDerWaalsContact O-N 3.13Å; V439-T453 HydrophobicContact CB-CG2 4.06Å; V439-T453 HydrophobicContact CG2-CG2 3.82Å; V439-T453 PolarHBondContact N-O 2.94Å; V439-W491 HydrophobicContact CG2-CZ2 4.28Å
440Q97.3Very high90.5Very high1 Ų162.6 Ų62.61%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-96133.6178.5-56.4-17876.800109.4Q407 V423 Y436 W449 S450Q407-Q440 PolarHBondContact O-NE2 2.76Å; Q407-Q440 PolarHBondContact O-OE1 3.38Å; V423-Q440 PolarHBondContact N-O 3.39Å; V423-Q440 PolarHBondContact O-N 2.61Å; Y436-Q440 HydrophobicContact CE1-CG 3.77Å; Q440-W449 HydrophobicContact CB-CE3 3.81Å; Q440-W449 HydrophobicContact CB-CZ3 3.95Å; Q440-S450 CarbonylContact C-O 3.51Å; Q440-S450 WeakPolarHBondContact CA-O 3.07Å
441V97.9Very high91.9Very high4 Ų457.6 Ų57.62%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-119.8128.7-179.6-176.70000109.5K420 I421 Y422 W449 S450 V452K420-V441 HydrophobicContact CB-CG1 3.93Å; K420-V441 HydrophobicContact CD-CG1 3.95Å; K420-V441 HydrophobicContact CG-CG1 4.41Å; I421-V441 CarbonylContact O-C 3.56Å; I421-V441 VanDerWaalsContact O-CA 3.29Å; I421-V441 WeakPolarHBondContact O-CA 3.41Å; Y422-V441 HydrophobicContact CD1-CG2 3.41Å; Y422-V441 VanDerWaalsContact CD1-CG2 3.41Å; Y422-V441 HydrophobicContact CE1-CB 4.5Å; Y422-V441 HydrophobicContact CE1-CG1 4.25Å; Y422-V441 HydrophobicContact CE1-CG2 3.4Å; Y422-V441 VanDerWaalsContact CE1-CG2 3.4Å; Y422-V441 HydrophobicContact CE2-CG1 4.24Å; Y422-V441 HydrophobicContact CG-CG2 4.09Å; V441-W449 CarbonylContact O-C 3.54Å; V441-W449 VanDerWaalsContact O-CA 3.3Å; V441-W449 WeakPolarHBondContact O-CA 3.31Å; V441-S450 PolarHBondContact N-O 2.99Å; V441-S450 PolarHBondContact O-N 2.98Å; V441-V452 HydrophobicContact CG2-CB 3.73Å; V441-V452 HydrophobicContact CG2-CG1 3.49Å; V441-V452 VanDerWaalsContact CG2-CG1 3.49Å
442Y98.6Very high93.1Very high4 Ų451.1 Ų51.12%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-101133.6172.4179.3-111.2000110.9Y375 V402 A403 I421 P444 N447 E448 W449Y375-Y442 HydrophobicContact CD1-CE1 4.34Å; Y375-Y442 HydrophobicContact CE1-CD1 4.42Å; Y375-Y442 AromaticContact CE1-CE1 3.71Å; Y375-Y442 HydrophobicContact CE1-CE1 3.71Å; V402-Y442 WeakPolarHBondContact CB-OH 3.43Å; V402-Y442 HydrophobicContact CG2-CE2 4.41Å; A403-Y442 HydrophobicContact CB-CE2 4.35Å; I421-Y442 HydrophobicContact CD1-CD1 3.97Å; I421-Y442 HydrophobicContact CG1-CD1 4.42Å; I421-Y442 PolarHBondContact N-O 2.81Å; I421-Y442 VanDerWaalsContact N-O 3.12Å; I421-Y442 PolarHBondContact O-N 2.73Å; Y442-P444 HydrophobicContact CD1-CG 4.01Å; Y442-P444 HydrophobicContact CE1-CB 3.98Å; Y442-P444 HydrophobicContact CE1-CG 3.78Å; Y442-N447 PolarHBondContact OH-OD1 3.11Å; Y442-E448 WeakPolarHBondContact CD2-O 3.39Å; Y442-W449 AromaticContact CD2-CD1 3.71Å; Y442-W449 HydrophobicContact CD2-CD2 4.04Å; Y442-W449 AromaticContact CD2-CE2 3.65Å; Y442-W449 HydrophobicContact CD2-CG 4.1Å; Y442-W449 HydrophobicContact CD2-CZ2 4.18Å; Y442-W449 AromaticContact CD2-NE1 3.42Å; Y442-W449 HydrophobicContact CG-CD2 4.32Å; Y442-W449 AromaticContact CG-CE2 3.91Å; Y442-W449 HydrophobicContact CG-CH2 4.47Å; Y442-W449 HydrophobicContact CG-CZ2 4Å
443R97.8Very high94.3Very high78 Ų7851.9 Ų51.929%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-112.4104.5177-79-154.5-59137.4-3.9109.8K420 D445 V446 N447 E448K420-R443 HydrophobicContact CD-CG 4.12Å; K420-R443 HydrophobicContact CG-CG 4.17Å; R443-D445 VanDerWaalsContact C-N 3.29Å; R443-D445 VanDerWaalsContact CB-OD1 3.27Å; R443-D445 WeakPolarHBondContact CB-OD1 3.43Å; R443-D445 IonicContact NH1-OD2 2.75Å; R443-D445 PolarHBondContact NH1-OD2 3.32Å; R443-D445 PolarHBondContact O-N 2.9Å; R443-V446 HydrophobicContact CB-CG2 3.68Å; R443-V446 PolarHBondContact O-N 2.99Å; R443-N447 WeakPolarHBondContact O-CA 3.25Å; R443-N447 PolarHBondContact O-N 3.26Å; R443-E448 PolarHBondContact N-O 3.46Å; R443-E448 PolarHBondContact O-N 3.29Å
444P96.7Very high95.2Very high24 Ų2451.8 Ų51.816%0.15627%0.271CS..THydrogen-bonded Turntrans-64.7-29.8-178.3-19.830.4000114.1L370 E419 Y442 V446 N447L370-P444 HydrophobicContact CD2-CG 3.57Å; E419-P444 WeakPolarHBondContact O-CD 3.32Å; Y442-P444 HydrophobicContact CD1-CG 4.01Å; Y442-P444 HydrophobicContact CE1-CB 3.98Å; Y442-P444 HydrophobicContact CE1-CG 3.78Å; P444-V446 VanDerWaalsContact C-N 3.32Å; P444-V446 PolarHBondContact O-N 3.19Å; P444-N447 PolarHBondContact O-N 3.49Å
445D95.8Very high95.4Very high118 Ų11849.9 Ų49.963%0.63126%0.258SS*.THydrogen-bonded Turntrans-59.9-39.5-18057.6-52.8000112.8R443R443-D445 VanDerWaalsContact C-N 3.29Å; R443-D445 VanDerWaalsContact CB-OD1 3.27Å; R443-D445 WeakPolarHBondContact CB-OD1 3.43Å; R443-D445 IonicContact NH1-OD2 2.75Å; R443-D445 PolarHBondContact NH1-OD2 3.32Å; R443-D445 PolarHBondContact O-N 2.9Å
446V97.4Very high95.4Very high60 Ų6050 Ų5036%0.36426%0.26SS..THydrogen-bonded Turntrans-107.1-7.8178.2-660000113.4R443 P444 E448R443-V446 HydrophobicContact CB-CG2 3.68Å; R443-V446 PolarHBondContact O-N 2.99Å; P444-V446 VanDerWaalsContact C-N 3.32Å; P444-V446 PolarHBondContact O-N 3.19Å; V446-E448 HydrophobicContact CB-CG 4.44Å; V446-E448 HydrophobicContact CG2-CB 3.86Å; V446-E448 HydrophobicContact CG2-CG 4.12Å
447N97.8Very high95Very high71 Ų7152.5 Ų52.538%0.3827%0.272SS..THydrogen-bonded Turntrans5555.3-173.6-178.931.6000112.2V402 A403 Y442 R443 P444V402-N447 WeakPolarHBondContact CB-OD1 2.95Å; A403-N447 WeakPolarHBondContact CB-O 3.46Å; A403-N447 WeakPolarHBondContact CB-OD1 3.34Å; A403-N447 PolarHBondContact N-OD1 3.06Å; Y442-N447 PolarHBondContact OH-OD1 3.11Å; R443-N447 WeakPolarHBondContact O-CA 3.25Å; R443-N447 PolarHBondContact O-N 3.26Å; P444-N447 PolarHBondContact O-N 3.49Å
448E98.2Very high94.4Very high112 Ų11249.9 Ų49.952%0.52326%0.264SS..EExtended strand (participates in β ladder)trans-139.6150.7-178.8-68.2-178164.200112.5Y442 R443 V446Y442-E448 WeakPolarHBondContact CD2-O 3.39Å; R443-E448 PolarHBondContact N-O 3.46Å; R443-E448 PolarHBondContact O-N 3.29Å; V446-E448 HydrophobicContact CB-CG 4.44Å; V446-E448 HydrophobicContact CG2-CB 3.86Å; V446-E448 HydrophobicContact CG2-CG 4.12Å
449W98.6Very high93.8Very high26 Ų2647.2 Ų47.210%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-102.5140.5171-71.987.6000111I377 T389 A403 K404 M405 I406 V423 Q440 V441 Y442I377-W449 HydrophobicContact CG2-CH2 3.75Å; I377-W449 HydrophobicContact CG2-CZ2 3.97Å; T389-W449 HydrophobicContact CG2-CZ2 4.03Å; T389-W449 WeakPolarHBondContact OG1-CZ2 3.33Å; A403-W449 PolarHBondContact O-NE1 2.84Å; K404-W449 VanDerWaalsContact C-CD1 3.43Å; M405-W449 HydrophobicContact CE-CH2 4.22Å; M405-W449 HydrophobicContact CE-CZ3 4.3Å; M405-W449 HydrophobicContact CG-CD2 4.39Å; M405-W449 HydrophobicContact CG-CH2 4.15Å; M405-W449 HydrophobicContact CG-CZ2 3.76Å; I406-W449 HydrophobicContact CD1-CB 4.2Å; I406-W449 HydrophobicContact CG1-CB 3.93Å; V423-W449 HydrophobicContact CB-CZ3 4.38Å; V423-W449 HydrophobicContact CG2-CH2 3.69Å; V423-W449 HydrophobicContact CG2-CZ3 3.78Å; Q440-W449 HydrophobicContact CB-CE3 3.81Å; Q440-W449 HydrophobicContact CB-CZ3 3.95Å; V441-W449 CarbonylContact O-C 3.54Å; V441-W449 VanDerWaalsContact O-CA 3.3Å; V441-W449 WeakPolarHBondContact O-CA 3.31Å; Y442-W449 AromaticContact CD2-CD1 3.71Å; Y442-W449 HydrophobicContact CD2-CD2 4.04Å; Y442-W449 AromaticContact CD2-CE2 3.65Å; Y442-W449 HydrophobicContact CD2-CG 4.1Å; Y442-W449 HydrophobicContact CD2-CZ2 4.18Å; Y442-W449 AromaticContact CD2-NE1 3.42Å; Y442-W449 HydrophobicContact CG-CD2 4.32Å; Y442-W449 AromaticContact CG-CE2 3.91Å; Y442-W449 HydrophobicContact CG-CH2 4.47Å; Y442-W449 HydrophobicContact CG-CZ2 4Å
450S97.7Very high93Very high51 Ų5149.7 Ų49.736%0.35726%0.262SS..EExtended strand (participates in β ladder)trans-133.6167171.364.20000111.2Q440 V441Q440-S450 CarbonylContact C-O 3.51Å; Q440-S450 WeakPolarHBondContact CA-O 3.07Å; V441-S450 PolarHBondContact N-O 2.99Å; V441-S450 PolarHBondContact O-N 2.98Å
451I97Very high92.4Very high73 Ų7349.8 Ų49.837%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-102.7128.1169.8-67.5157000107.2I406 K438 V439I406-I451 HydrophobicContact CD1-CD1 4.18Å; I406-I451 HydrophobicContact CD1-CG1 3.81Å; I406-I451 HydrophobicContact CG2-CD1 4.35Å; K438-I451 HydrophobicContact CB-CG1 4.45Å; K438-I451 HydrophobicContact CB-CG2 3.98Å; K438-I451 HydrophobicContact CD-CD1 3.76Å; K438-I451 HydrophobicContact CD-CG1 4.43Å; K438-I451 HydrophobicContact CD-CG2 4.29Å; V439-I451 WeakPolarHBondContact O-CA 3.41Å
452V94Very high92Very high54 Ų5450.3 Ų50.333%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-100.3-45.3-178.171.80000112.4Y422 V439 V441 Y484Y422-V452 HydrophobicContact CD1-CG1 4.4Å; Y422-V452 HydrophobicContact CE1-CG1 4.16Å; V439-V452 HydrophobicContact CB-CG1 3.97Å; V439-V452 HydrophobicContact CG1-CG1 3.82Å; V439-V452 PolarHBondContact O-N 3.5Å; V439-V452 VanDerWaalsContact O-N 3.13Å; V441-V452 HydrophobicContact CG2-CB 3.73Å; V441-V452 HydrophobicContact CG2-CG1 3.49Å; V441-V452 VanDerWaalsContact CG2-CG1 3.49Å; V452-Y484 HydrophobicContact CG1-CE1 4.49Å
453T93.9Very high91.8Very high26 Ų2650.8 Ų50.816%0.1627%0.27CS..EExtended strand (participates in β ladder)trans-156176.4-175.3-164.60000110.8V439 Y484 W491V439-T453 HydrophobicContact CB-CG2 4.06Å; V439-T453 HydrophobicContact CG2-CG2 3.82Å; V439-T453 PolarHBondContact N-O 2.94Å; T453-Y484 HydrophobicContact CG2-CD2 4.31Å; T453-Y484 HydrophobicContact CG2-CE1 4.2Å; T453-Y484 HydrophobicContact CG2-CE2 3.98Å; T453-W491 HydrophobicContact CG2-CZ2 3.74Å; T453-W491 PolarHBondContact OG1-NE1 3.08Å
454L94Very high91.7Very high89 Ų8947.6 Ų47.647%0.46626%0.259SS..EExtended strand (participates in β ladder)trans-105.4135.2172-56.4-180000109E437 K438 W491E437-L454 HydrophobicContact CG-CD2 4.4Å; K438-L454 HydrophobicContact CB-CD2 4.1Å; K438-L454 HydrophobicContact CD-CD2 4.25Å; K438-L454 HydrophobicContact CG-CD2 3.63Å; L454-W491 PolarHBondContact O-NE1 2.89Å; L454-W491 VanDerWaalsContact O-NE1 3.08Å
455S90.1Very high91.7Very high7 Ų746.9 Ų46.95%0.04926%0.255CS..  trans-69.4128.6172.9179.50000109.5E437 H457E437-S455 PolarHBondContact O-N 2.92Å; S455-H457 PolarHBondContact O-N 3.01Å; S455-H457 PolarHBondContact OG-O 3.4Å
456P87Confident91.6Very high57 Ų5743 Ų4337%0.3724%0.237SC..SBendtrans-60.3-33.8177.5-23.933.4000112.8W491P456-W491 VanDerWaalsContact CD-CD2 3.44Å; P456-W491 HydrophobicContact CG-CB 3.82Å; P456-W491 HydrophobicContact CG-CD2 3.59Å; P456-W491 HydrophobicContact CG-CE3 3.94Å; P456-W491 HydrophobicContact CG-CG 3.53Å
457H83.9Confident91.4Very high73 Ų7340.6 Ų40.634%0.33822%0.222SC..SBendtrans-129.783.8-178.5-56.999.4000109.3S455 E459 D482S455-H457 PolarHBondContact O-N 3.01Å; S455-H457 PolarHBondContact OG-O 3.4Å; H457-E459 HydrophobicContact CB-CG 4.46Å; H457-E459 PolarHBondContact O-N 3.37Å; H457-D482 IonicContact CE1-OD2 2.82Å; H457-D482 IonicContact CG-OD2 3.88Å; H457-D482 IonicContact ND1-OD1 2.67Å; H457-D482 IonicContact ND1-OD2 3.6Å; H457-D482 PolarHBondContact ND1-OD2 3.3Å
458P78.6Confident90.9Very high42 Ų4242.5 Ų42.527%0.27323%0.228SC..  trans-79.968.8-175.335.2-37.7000110.7T435 E437T435-P458 WeakPolarHBondContact CB-O 3.26Å; T435-P458 WeakPolarHBondContact CG2-O 3.49Å; E437-P458 HydrophobicContact CB-CB 3.55Å; E437-P458 HydrophobicContact CB-CG 3.82Å
459E82.4Confident90.4Very high22 Ų2240.4 Ų40.410%0.10322%0.22CC..  trans-89.4160.2-179.1-62.3179.1-169.200111.3H457 L462 Q477 T478H457-E459 HydrophobicContact CB-CG 4.46Å; H457-E459 PolarHBondContact O-N 3.37Å; E459-L462 HydrophobicContact CB-CD1 4.3Å; E459-L462 HydrophobicContact CB-CD2 4.24Å; E459-L462 HydrophobicContact CB-CG 4.1Å; E459-L462 VanDerWaalsContact O-CD1 3.25Å; E459-L462 WeakPolarHBondContact O-CD1 2.86Å; E459-L462 WeakPolarHBondContact O-CG 3.49Å; E459-Q477 HydrophobicContact CB-CG 4.49Å; E459-Q477 WeakPolarHBondContact OE2-CA 3.25Å; E459-Q477 PolarHBondContact OE2-N 3.1Å; E459-T478 WeakPolarHBondContact OE1-CB 3.48Å; E459-T478 WeakPolarHBondContact OE1-CG2 3.46Å; E459-T478 PolarHBondContact OE1-OG1 2.82Å; E459-T478 PolarHBondContact OE2-N 3.13Å; E459-T478 PolarHBondContact OE2-OG1 3.28Å
460Y78.6Confident90.2Very high52 Ų5241.6 Ų41.620%0.20423%0.226CC..THydrogen-bonded Turntrans-92.4154173.171.9-100.8000111.5H427 L462 G476 Q477 M502H427-Y460 WeakPolarHBondContact NE2-CB 3.37Å; H427-Y460 AromaticContact NE2-CD1 3.66Å; H427-Y460 AromaticContact NE2-CG 3.38Å; Y460-L462 PolarHBondContact O-N 3.45Å; Y460-G476 WeakPolarHBondContact O-CA 3.2Å; Y460-Q477 HydrophobicContact CD1-CG 4.13Å; Y460-Q477 HydrophobicContact CE1-CG 3.8Å; Y460-Q477 VanDerWaalsContact CZ-NE2 3.29Å; Y460-Q477 PolarHBondContact OH-NE2 3.31Å; Y460-Q477 VanDerWaalsContact OH-NE2 3.1Å; Y460-M502 HydrophobicContact CD2-SD 4.11Å; Y460-M502 HydrophobicContact CE2-CE 3.93Å; Y460-M502 HydrophobicContact CE2-CG 4.31Å; Y460-M502 HydrophobicContact CE2-SD 3.2Å; Y460-M502 WeakPolarHBondContact CE2-SD 3.31Å; Y460-M502 PolarHBondContact OH-SD 2.97Å
461G83.4Confident90.1Very high2 Ų239.1 Ų39.12%0.02121%0.209CC..THydrogen-bonded Turntrans69.122.8-177.500000113.3G476 E503G461-G476 PolarHBondContact O-N 3.08Å; G461-E503 PolarHBondContact O-N 2.71Å
462L91.4Very high90Very high16 Ų1635.9 Ų35.98%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-66.8157.6167.3-71172000110.8T413 E459 Y460 G475T413-L462 WeakPolarHBondContact CB-O 3.11Å; T413-L462 HydrophobicContact CG2-CB 4.3Å; E459-L462 HydrophobicContact CB-CD1 4.3Å; E459-L462 HydrophobicContact CB-CD2 4.24Å; E459-L462 HydrophobicContact CB-CG 4.1Å; E459-L462 VanDerWaalsContact O-CD1 3.25Å; E459-L462 WeakPolarHBondContact O-CD1 2.86Å; E459-L462 WeakPolarHBondContact O-CG 3.49Å; Y460-L462 PolarHBondContact O-N 3.45Å; L462-G475 WeakPolarHBondContact CD2-O 3.13Å
463C94.1Very high90.1Very high14 Ų1433.5 Ų33.510%0.09518%0.177CC..EExtended strand (participates in β ladder)trans-121.4143.2165.5-65.10000109.9L473 V474 C504 A506C463-L473 WeakPolarHBondContact O-CA 3.46Å; C463-V474 HydrophobicContact CB-CG2 4.02Å; C463-V474 PolarHBondContact N-O 3.3Å; C463-V474 PolarHBondContact O-N 3.1Å; C463-C504 PolarHBondContact SG-O 3.36Å; C463-C504 PolarHBondContact SG-SG 3.4Å; C463-A506 HydrophobicContact CB-CB 3.67Å
464S95.1Very high90.1Very high10 Ų1032.2 Ų32.27%0.0717%0.17CC..EExtended strand (participates in β ladder)trans-116.6131.7175.657.30000109.7T413 A414 C415 Y472T413-S464 WeakPolarHBondContact CG2-OG 3.29Å; T413-S464 WeakPolarHBondContact OG1-CB 3.27Å; T413-S464 PolarHBondContact OG1-N 2.92Å; T413-S464 PolarHBondContact OG1-OG 3.47Å; A414-S464 PolarHBondContact N-OG 3.49Å; A414-S464 PolarHBondContact O-OG 3.13Å; C415-S464 PolarHBondContact N-OG 3.26Å; S464-Y472 VanDerWaalsContact CA-O 3.28Å; S464-Y472 WeakPolarHBondContact CA-O 3.27Å
465V96.2Very high90Very high10 Ų1028 Ų286%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-131.5149.8171.9-62.10000109.8Y472 A506 V508 I513V465-Y472 PolarHBondContact N-O 3.3Å; V465-Y472 PolarHBondContact O-N 3.08Å; V465-A506 HydrophobicContact CG1-CB 3.62Å; V465-V508 HydrophobicContact CB-CG2 4.26Å; V465-V508 HydrophobicContact CG2-CG2 4.35Å; V465-I513 HydrophobicContact CG2-CD1 3.73Å; V465-I513 HydrophobicContact CG2-CG1 3.9Å; V465-I513 HydrophobicContact CG2-CG2 3.84Å
466S95.1Very high90Very high36 Ų3627.7 Ų27.725%0.25215%0.145SC..EExtended strand (participates in β ladder)trans-101.8133.1172.4-173.70000110.2V416 M417 K470 V508V416-S466 WeakPolarHBondContact O-CB 3.15Å; M417-S466 WeakPolarHBondContact CG-OG 3.39Å; S466-K470 VanDerWaalsContact CA-O 3.32Å; S466-K470 WeakPolarHBondContact CA-O 3.46Å; S466-K470 PolarHBondContact OG-O 3.28Å; S466-V508 WeakPolarHBondContact O-CG2 3.48Å
467L92.6Very high89.9Confident10 Ų1029.3 Ų29.35%0.05215%0.148CC..EExtended strand (participates in β ladder)trans-144.2128.4173.5173.264000108.3N469 K470 Y472 V508 G511 I513 P535L467-N469 VanDerWaalsContact C-N 3.3Å; L467-N469 PolarHBondContact O-N 3.44Å; L467-K470 PolarHBondContact N-O 2.98Å; L467-K470 PolarHBondContact O-N 2.75Å; L467-Y472 HydrophobicContact CB-CD2 4.09Å; L467-Y472 HydrophobicContact CB-CE2 3.83Å; L467-Y472 HydrophobicContact CD2-CE2 4.41Å; L467-Y472 HydrophobicContact CG-CE2 4.42Å; L467-V508 HydrophobicContact CB-CG2 4.14Å; L467-V508 HydrophobicContact CD1-CG1 3.79Å; L467-G511 WeakPolarHBondContact CD2-O 3.25Å; L467-I513 HydrophobicContact CD2-CD1 4.33Å; L467-I513 HydrophobicContact CD2-CG1 4.08Å; L467-P535 HydrophobicContact CD2-CB 4.41Å; L467-P535 HydrophobicContact CD2-CG 4.05Å
468H86.8Confident90.1Very high111 Ų11127.7 Ų27.751%0.51414%0.144SC..THydrogen-bonded Turntrans51.245.1-178.8-54.2154.5000113.8Q195 K470Q195-H468 PolarHBondContact NE2-CE1 2.76Å; Q195-H468 VanDerWaalsContact NE2-CE1 3.3Å; Q195-H468 PolarHBondContact OE1-CE1 2.84Å; Q195-H468 PolarHBondContact OE1-NE2 3.44Å; H468-K470 PolarHBondContact O-N 2.83Å; H468-K470 VanDerWaalsContact O-N 3.14Å
469N87.4Confident90.7Very high68 Ų6827.2 Ų27.236%0.36414%0.14SC..THydrogen-bonded Turntrans56.826.7-177.4-159.842.6000114.2M417 L467M417-N469 WeakPolarHBondContact CG-OD1 3.4Å; L467-N469 VanDerWaalsContact C-N 3.3Å; L467-N469 PolarHBondContact O-N 3.44Å
470K93.9Very high91.2Very high50 Ų5028.2 Ų28.222%0.21715%0.147CC..EExtended strand (participates in β ladder)trans-120148.6171.9-57.9-174.3-166.1-151.20110.2S466 L467 H468 Y472 Y484 D485S466-K470 VanDerWaalsContact CA-O 3.32Å; S466-K470 WeakPolarHBondContact CA-O 3.46Å; S466-K470 PolarHBondContact OG-O 3.28Å; L467-K470 PolarHBondContact N-O 2.98Å; L467-K470 PolarHBondContact O-N 2.75Å; H468-K470 PolarHBondContact O-N 2.83Å; H468-K470 VanDerWaalsContact O-N 3.14Å; K470-Y472 HydrophobicContact CB-CD2 4.47Å; K470-Y472 HydrophobicContact CB-CE2 3.9Å; K470-Y484 WeakPolarHBondContact CA-O 3.45Å; K470-D485 HydrophobicContact CD-CB 4.32Å; K470-D485 VanDerWaalsContact CE-OD2 3.22Å; K470-D485 WeakPolarHBondContact CE-OD2 3.44Å; K470-D485 IonicContact NZ-OD2 3.13Å; K470-D485 PolarHBondContact NZ-OD2 3.41Å
471L95.7Very high91.9Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-96.1119.9179.5169.369.8000109C415 M417 L473 C483 Y484 W491C415-L471 WeakPolarHBondContact SG-CD1 3.13Å; M417-L471 HydrophobicContact CE-CB 3.95Å; M417-L471 HydrophobicContact SD-CB 4.08Å; M417-L471 PolarHBondContact SD-N 3.45Å; L471-L473 HydrophobicContact CD1-CD2 4.34Å; L471-L473 HydrophobicContact CG-CD2 4.38Å; L471-C483 CarbonylContact O-C 3.54Å; L471-C483 WeakPolarHBondContact O-CA 3.46Å; L471-Y484 HydrophobicContact CB-CD1 4.32Å; L471-Y484 HydrophobicContact CD2-CD1 4.22Å; L471-Y484 PolarHBondContact N-O 3.06Å; L471-Y484 PolarHBondContact O-N 3.38Å; L471-W491 HydrophobicContact CD2-CH2 4.16Å
472Y96.1Very high92.5Very high4 Ų426.1 Ų26.12%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-105127.1174.8-70.4-102.9000109.7S464 V465 L467 K470 D482 C483 R492 I494 I513 Y533S464-Y472 VanDerWaalsContact CA-O 3.28Å; S464-Y472 WeakPolarHBondContact CA-O 3.27Å; V465-Y472 PolarHBondContact N-O 3.3Å; V465-Y472 PolarHBondContact O-N 3.08Å; L467-Y472 HydrophobicContact CB-CD2 4.09Å; L467-Y472 HydrophobicContact CB-CE2 3.83Å; L467-Y472 HydrophobicContact CD2-CE2 4.41Å; L467-Y472 HydrophobicContact CG-CE2 4.42Å; K470-Y472 HydrophobicContact CB-CD2 4.47Å; K470-Y472 HydrophobicContact CB-CE2 3.9Å; Y472-D482 WeakPolarHBondContact CA-O 3.49Å; Y472-C483 HydrophobicContact CD1-CB 3.94Å; Y472-C483 HydrophobicContact CE1-CB 3.82Å; Y472-C483 HydrophobicContact CG-CB 4.49Å; Y472-R492 PolarHBondContact OH-NH2 3.22Å; Y472-I494 HydrophobicContact CD1-CD1 3.99Å; Y472-I494 HydrophobicContact CE1-CD1 4.3Å; Y472-I513 HydrophobicContact CD1-CD1 3.5Å; Y472-I513 HydrophobicContact CD2-CD1 3.89Å; Y472-I513 HydrophobicContact CE1-CD1 4.06Å; Y472-I513 HydrophobicContact CE2-CD1 4.42Å; Y472-I513 HydrophobicContact CG-CD1 3.4Å; Y472-Y533 HydrophobicContact CD1-CE1 4.43Å; Y472-Y533 AromaticContact CE1-CE1 3.88Å; Y472-Y533 HydrophobicContact CE1-CE1 3.88Å
473L95.4Very high92.7Very high4 Ų425.3 Ų25.32%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-104.8123.5171.4-62-175.2000109.4T424 C463 L471 A481 D482 W491T424-L473 HydrophobicContact CG2-CD1 3.76Å; T424-L473 HydrophobicContact CG2-CD2 3.91Å; C463-L473 WeakPolarHBondContact O-CA 3.46Å; L471-L473 HydrophobicContact CD1-CD2 4.34Å; L471-L473 HydrophobicContact CG-CD2 4.38Å; L473-A481 VanDerWaalsContact O-CA 3.31Å; L473-A481 WeakPolarHBondContact O-CA 3.29Å; L473-D482 PolarHBondContact N-O 2.95Å; L473-D482 PolarHBondContact O-N 3.4Å; L473-W491 HydrophobicContact CD1-CH2 3.34Å; L473-W491 HydrophobicContact CD1-CZ2 4.39Å; L473-W491 HydrophobicContact CD1-CZ3 3.62Å; L473-W491 HydrophobicContact CG-CH2 3.82Å; L473-W491 HydrophobicContact CG-CZ3 3.9Å
474V95.1Very high92.7Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-136.9159.4-176.1-59.70000110.6C463 A481 M497 A506 V515 W540C463-V474 HydrophobicContact CB-CG2 4.02Å; C463-V474 PolarHBondContact N-O 3.3Å; C463-V474 PolarHBondContact O-N 3.1Å; V474-A481 HydrophobicContact CG1-CB 4.08Å; V474-M497 HydrophobicContact CB-SD 4.13Å; V474-A506 HydrophobicContact CG2-CB 4.05Å; V474-V515 HydrophobicContact CB-CG2 4.26Å; V474-V515 HydrophobicContact CG2-CG2 3.74Å; V474-W540 HydrophobicContact CB-CH2 4.41Å; V474-W540 HydrophobicContact CG1-CH2 3.9Å; V474-W540 HydrophobicContact CG1-CZ2 3.92Å
475G91.6Very high92.6Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans78.9-152.1-178.200000112.7L462 M497 R501L462-G475 WeakPolarHBondContact CD2-O 3.13Å; G475-M497 PolarHBondContact N-SD 3.38Å; G475-R501 CarbonylContact C-O 3.54Å; G475-R501 VanDerWaalsContact CA-O 3.26Å; G475-R501 WeakPolarHBondContact CA-O 3.32Å
476G89.4Confident92.2Very high0 Ų026.7 Ų26.70%014%0.142CC..SBendtrans89.5-158-174.600000113.9Y460 G461 T478 R501 M502Y460-G476 WeakPolarHBondContact O-CA 3.2Å; G461-G476 PolarHBondContact O-N 3.08Å; G476-T478 VanDerWaalsContact C-N 3.34Å; G476-R501 PolarHBondContact N-O 2.76Å; G476-R501 CarbonylContact O-C 3.52Å; G476-R501 VanDerWaalsContact O-C 3.22Å; G476-M502 VanDerWaalsContact C-CG 3.43Å; G476-M502 WeakPolarHBondContact O-CG 3.48Å
477Q85.5Confident92Very high91 Ų9132.8 Ų32.843%0.42517%0.166SC..SBendtrans-78.9-19.2-177.2-57.5-166.7-68.600112.8E459 Y460 M502E459-Q477 HydrophobicContact CB-CG 4.49Å; E459-Q477 WeakPolarHBondContact OE2-CA 3.25Å; E459-Q477 PolarHBondContact OE2-N 3.1Å; Y460-Q477 HydrophobicContact CD1-CG 4.13Å; Y460-Q477 HydrophobicContact CE1-CG 3.8Å; Y460-Q477 VanDerWaalsContact CZ-NE2 3.29Å; Y460-Q477 PolarHBondContact OH-NE2 3.31Å; Y460-Q477 VanDerWaalsContact OH-NE2 3.1Å; Q477-M502 HydrophobicContact CG-SD 3.81Å
478T88.3Confident91.9Very high40 Ų4035.1 Ų35.125%0.24518%0.183CC..SBendtrans-111.5-173.7179.468.70000112.1E459 G476 V480E459-T478 WeakPolarHBondContact OE1-CB 3.48Å; E459-T478 WeakPolarHBondContact OE1-CG2 3.46Å; E459-T478 PolarHBondContact OE1-OG1 2.82Å; E459-T478 PolarHBondContact OE2-N 3.13Å; E459-T478 PolarHBondContact OE2-OG1 3.28Å; G476-T478 VanDerWaalsContact C-N 3.34Å; T478-V480 PolarHBondContact OG1-N 3.46Å
479T90.7Very high92.1Very high32 Ų3234.3 Ų34.320%0.19618%0.183CC..SBendtrans-102.84.2169.953.50000111.3V496 M497 R500T479-V496 CarbonylContact O-C 3.21Å; T479-V496 VanDerWaalsContact O-CA 3.32Å; T479-V496 WeakPolarHBondContact O-CA 3.23Å; T479-V496 WeakPolarHBondContact O-CB 3.23Å; T479-M497 WeakPolarHBondContact CB-O 3.44Å; T479-M497 WeakPolarHBondContact CG2-O 3.22Å; T479-M497 PolarHBondContact O-N 3.31Å; T479-R500 HydrophobicContact CG2-CB 4.41Å; T479-R500 HydrophobicContact CG2-CG 3.37Å
480V92.9Very high92.4Very high42 Ų4237.4 Ų37.426%0.25520%0.195SC..  trans-71.3137.7-177.9-178.50000107.8T478T478-V480 PolarHBondContact OG1-N 3.46Å
481A93.6Very high92.5Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-131138.917300000107.6L473 V474 I494 W540L473-A481 VanDerWaalsContact O-CA 3.31Å; L473-A481 WeakPolarHBondContact O-CA 3.29Å; V474-A481 HydrophobicContact CG1-CB 4.08Å; A481-I494 HydrophobicContact CB-CD1 3.73Å; A481-I494 HydrophobicContact CB-CG1 3.57Å; A481-I494 VanDerWaalsContact O-CG1 3.25Å; A481-I494 WeakPolarHBondContact O-CG1 3.47Å; A481-I494 PolarHBondContact O-N 2.91Å; A481-W540 HydrophobicContact CB-CZ2 4.34Å
482D94.9Very high92.5Very high10 Ų1042.8 Ų42.85%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-129.1146-175.1-63.9-65.9000109.9H457 Y472 L473 W491H457-D482 IonicContact CE1-OD2 2.82Å; H457-D482 IonicContact CG-OD2 3.88Å; H457-D482 IonicContact ND1-OD1 2.67Å; H457-D482 IonicContact ND1-OD2 3.6Å; H457-D482 PolarHBondContact ND1-OD2 3.3Å; Y472-D482 WeakPolarHBondContact CA-O 3.49Å; L473-D482 PolarHBondContact N-O 2.95Å; L473-D482 PolarHBondContact O-N 3.4Å; D482-W491 HydrophobicContact CB-CE3 3.7Å; D482-W491 HydrophobicContact CB-CZ3 3.88Å
483C95.5Very high92.4Very high0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-116130.3173.6173.20000108.5L471 Y472 W491 R492 I494L471-C483 CarbonylContact O-C 3.54Å; L471-C483 WeakPolarHBondContact O-CA 3.46Å; Y472-C483 HydrophobicContact CD1-CB 3.94Å; Y472-C483 HydrophobicContact CE1-CB 3.82Å; Y472-C483 HydrophobicContact CG-CB 4.49Å; C483-W491 WeakPolarHBondContact O-CA 3.42Å; C483-R492 HydrophobicContact CB-CG 3.75Å; C483-R492 PolarHBondContact N-O 3.02Å; C483-R492 WeakPolarHBondContact O-CG 3.32Å; C483-R492 PolarHBondContact O-N 2.72Å; C483-R492 PolarHBondContact SG-NE 2.99Å; C483-R492 PolarHBondContact SG-NH2 3.25Å; C483-I494 HydrophobicContact CB-CG2 3.89Å
484Y95.4Very high92.4Very high3 Ų348 Ų481%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-107.3126172.7175.1-117.2000109.8V452 T453 K470 L471 T486 D489 E490 W491V452-Y484 HydrophobicContact CG1-CE1 4.49Å; T453-Y484 HydrophobicContact CG2-CD2 4.31Å; T453-Y484 HydrophobicContact CG2-CE1 4.2Å; T453-Y484 HydrophobicContact CG2-CE2 3.98Å; K470-Y484 WeakPolarHBondContact CA-O 3.45Å; L471-Y484 HydrophobicContact CB-CD1 4.32Å; L471-Y484 HydrophobicContact CD2-CD1 4.22Å; L471-Y484 PolarHBondContact N-O 3.06Å; L471-Y484 PolarHBondContact O-N 3.38Å; Y484-T486 HydrophobicContact CD1-CG2 4.09Å; Y484-T486 HydrophobicContact CE1-CG2 3.66Å; Y484-D489 WeakPolarHBondContact CE2-OD1 3.3Å; Y484-D489 PolarHBondContact OH-OD1 2.66Å; Y484-E490 WeakPolarHBondContact CD2-O 3.36Å; Y484-W491 AromaticContact CD2-CD1 3.85Å; Y484-W491 AromaticContact CD2-CD2 3.99Å; Y484-W491 HydrophobicContact CD2-CD2 3.99Å; Y484-W491 AromaticContact CD2-CE2 3.72Å; Y484-W491 HydrophobicContact CD2-CG 4.08Å; Y484-W491 HydrophobicContact CD2-CZ2 4.22Å; Y484-W491 AromaticContact CD2-NE1 3.63Å; Y484-W491 HydrophobicContact CG-CD2 4.22Å; Y484-W491 AromaticContact CG-CE2 3.89Å; Y484-W491 HydrophobicContact CG-CH2 4.29Å; Y484-W491 AromaticContact CG-CZ2 3.95Å; Y484-W491 HydrophobicContact CG-CZ2 3.95Å
485D93.3Very high92.5Very high23 Ų2350.1 Ų50.112%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-100.2116.5175.6-169.5-29.8000109.1K470 E487 S488 D489 E490K470-D485 HydrophobicContact CD-CB 4.32Å; K470-D485 VanDerWaalsContact CE-OD2 3.22Å; K470-D485 WeakPolarHBondContact CE-OD2 3.44Å; K470-D485 IonicContact NZ-OD2 3.13Å; K470-D485 PolarHBondContact NZ-OD2 3.41Å; D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 2.89Å; D485-E487 WeakPolarHBondContact OD1-CB 3.46Å; D485-E487 PolarHBondContact OD1-N 3.35Å; D485-S488 WeakPolarHBondContact CB-OG 3.37Å; D485-D489 VanDerWaalsContact O-CA 3.29Å; D485-D489 WeakPolarHBondContact O-CA 3.41Å; D485-D489 PolarHBondContact O-N 2.92Å; D485-E490 PolarHBondContact N-O 2.85Å; D485-E490 PolarHBondContact O-N 3.13Å
486T88Confident92.7Very high37 Ų3754 Ų5423%0.22729%0.286CS..THydrogen-bonded Turntrans-73.9-20.4-178.848.60000113.9M417 Y422 Y484M417-T486 HydrophobicContact CE-CG2 3.28Å; M417-T486 HydrophobicContact SD-CG2 4.24Å; Y422-T486 HydrophobicContact CE1-CG2 4.3Å; Y484-T486 HydrophobicContact CD1-CG2 4.09Å; Y484-T486 HydrophobicContact CE1-CG2 3.66Å
487E89.1Confident93Very high163 Ų16354.3 Ų54.376%0.76229%0.287SS*.THydrogen-bonded Turntrans-78.5-41.3-178.8-63.2-175174.800110.8D485D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 2.89Å; D485-E487 WeakPolarHBondContact OD1-CB 3.46Å; D485-E487 PolarHBondContact OD1-N 3.35Å
488S91.1Very high93.4Very high60 Ų6055.7 Ų55.742%0.4229%0.292SS..THydrogen-bonded Turntrans-89.2-13.3175.463.70000114D485 E490D485-S488 WeakPolarHBondContact CB-OG 3.37Å; S488-E490 VanDerWaalsContact C-N 3.3Å
489D91.3Very high93.6Very high93 Ų9355.4 Ų55.450%0.49729%0.288SS..THydrogen-bonded Turntrans56.642.2-172.1-168.327.7000112.6Y484 D485Y484-D489 WeakPolarHBondContact CE2-OD1 3.3Å; Y484-D489 PolarHBondContact OH-OD1 2.66Å; D485-D489 VanDerWaalsContact O-CA 3.29Å; D485-D489 WeakPolarHBondContact O-CA 3.41Å; D485-D489 PolarHBondContact O-N 2.92Å
490E94Very high93.7Very high133 Ų13359.8 Ų59.862%0.62130%0.301SS*.EExtended strand (participates in β ladder)trans-127.6142.2-175.9-70.1-176.8164.100112.8Y484 D485 S488Y484-E490 WeakPolarHBondContact CD2-O 3.36Å; D485-E490 PolarHBondContact N-O 2.85Å; D485-E490 PolarHBondContact O-N 3.13Å; S488-E490 VanDerWaalsContact C-N 3.3Å
491W95.6Very high93.8Very high54 Ų5457.8 Ų57.821%0.20529%0.289CS..EExtended strand (participates in β ladder)trans-91.9135.2168.4-7393.5000110.2V439 T453 L454 P456 L471 L473 D482 C483 Y484V439-W491 HydrophobicContact CG2-CZ2 4.28Å; T453-W491 HydrophobicContact CG2-CZ2 3.74Å; T453-W491 PolarHBondContact OG1-NE1 3.08Å; L454-W491 PolarHBondContact O-NE1 2.89Å; L454-W491 VanDerWaalsContact O-NE1 3.08Å; P456-W491 VanDerWaalsContact CD-CD2 3.44Å; P456-W491 HydrophobicContact CG-CB 3.82Å; P456-W491 HydrophobicContact CG-CD2 3.59Å; P456-W491 HydrophobicContact CG-CE3 3.94Å; P456-W491 HydrophobicContact CG-CG 3.53Å; L471-W491 HydrophobicContact CD2-CH2 4.16Å; L473-W491 HydrophobicContact CD1-CH2 3.34Å; L473-W491 HydrophobicContact CD1-CZ2 4.39Å; L473-W491 HydrophobicContact CD1-CZ3 3.62Å; L473-W491 HydrophobicContact CG-CH2 3.82Å; L473-W491 HydrophobicContact CG-CZ3 3.9Å; D482-W491 HydrophobicContact CB-CE3 3.7Å; D482-W491 HydrophobicContact CB-CZ3 3.88Å; C483-W491 WeakPolarHBondContact O-CA 3.42Å; Y484-W491 AromaticContact CD2-CD1 3.85Å; Y484-W491 AromaticContact CD2-CD2 3.99Å; Y484-W491 HydrophobicContact CD2-CD2 3.99Å; Y484-W491 AromaticContact CD2-CE2 3.72Å; Y484-W491 HydrophobicContact CD2-CG 4.08Å; Y484-W491 HydrophobicContact CD2-CZ2 4.22Å; Y484-W491 AromaticContact CD2-NE1 3.63Å; Y484-W491 HydrophobicContact CG-CD2 4.22Å; Y484-W491 AromaticContact CG-CE2 3.89Å; Y484-W491 HydrophobicContact CG-CH2 4.29Å; Y484-W491 AromaticContact CG-CZ2 3.95Å; Y484-W491 HydrophobicContact CG-CZ2 3.95Å
492R94.8Very high93.8Very high109 Ų10958.3 Ų58.341%0.41129%0.291SS..EExtended strand (participates in β ladder)trans-124.9132170.665.3-176.8-179.9160.53.5110.2Y472 C483Y472-R492 PolarHBondContact OH-NH2 3.22Å; C483-R492 HydrophobicContact CB-CG 3.75Å; C483-R492 PolarHBondContact N-O 3.02Å; C483-R492 WeakPolarHBondContact O-CG 3.32Å; C483-R492 PolarHBondContact O-N 2.72Å; C483-R492 PolarHBondContact SG-NE 2.99Å; C483-R492 PolarHBondContact SG-NH2 3.25Å
493P95Very high93.7Very high103 Ų10359.3 Ų59.367%0.66930%0.296SS*.EExtended strand (participates in β ladder)trans-67.6141.8168.229.9-33.2000109.1
494I95.8Very high93.7Very high16 Ų1659.8 Ų59.88%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-110.6174.2169.760.2161.5000109.6Y472 A481 C483 V496 Y533 W540Y472-I494 HydrophobicContact CD1-CD1 3.99Å; Y472-I494 HydrophobicContact CE1-CD1 4.3Å; A481-I494 HydrophobicContact CB-CD1 3.73Å; A481-I494 HydrophobicContact CB-CG1 3.57Å; A481-I494 VanDerWaalsContact O-CG1 3.25Å; A481-I494 WeakPolarHBondContact O-CG1 3.47Å; A481-I494 PolarHBondContact O-N 2.91Å; C483-I494 HydrophobicContact CB-CG2 3.89Å; I494-V496 PolarHBondContact O-N 3.32Å; I494-Y533 HydrophobicContact CB-CE2 4.32Å; I494-Y533 HydrophobicContact CD1-CD1 4.31Å; I494-Y533 HydrophobicContact CD1-CD2 4.26Å; I494-Y533 HydrophobicContact CD1-CE1 3.86Å; I494-Y533 HydrophobicContact CD1-CE2 3.79Å; I494-Y533 HydrophobicContact CD1-CG 4.49Å; I494-W540 HydrophobicContact CD1-CZ2 4.41Å
495S96.3Very high93.7Very high44 Ų4459.9 Ų59.931%0.30830%0.301SS..PPolyproline II helixtrans-48.9140.4175-94.30000112.1D538 W540S495-D538 WeakPolarHBondContact CB-O 3.37Å; S495-D538 WeakPolarHBondContact CB-OD1 3.21Å; S495-D538 PolarHBondContact N-OD1 3.24Å; S495-D538 PolarHBondContact OG-O 3.25Å; S495-W540 PolarHBondContact O-NE1 3.47Å
496V96.1Very high93.9Very high82 Ų8259.7 Ų59.750%0.49730%0.302SS..PPolyproline II helixtrans-72.6144.2-178.8-63.30000111.6T479 I494T479-V496 CarbonylContact O-C 3.21Å; T479-V496 VanDerWaalsContact O-CA 3.32Å; T479-V496 WeakPolarHBondContact O-CA 3.23Å; T479-V496 WeakPolarHBondContact O-CB 3.23Å; I494-V496 PolarHBondContact O-N 3.32Å
497M95.9Very high94.3Very high5 Ų558.7 Ų58.73%0.02530%0.296CS..PPolyproline II helixtrans-62.7154.8173.3-60.5-173.568.700111.6V474 G475 T479 R501 V515 W540V474-M497 HydrophobicContact CB-SD 4.13Å; G475-M497 PolarHBondContact N-SD 3.38Å; T479-M497 WeakPolarHBondContact CB-O 3.44Å; T479-M497 WeakPolarHBondContact CG2-O 3.22Å; T479-M497 PolarHBondContact O-N 3.31Å; M497-R501 HydrophobicContact CE-CG 4.01Å; M497-V515 HydrophobicContact CE-CB 3.95Å; M497-V515 HydrophobicContact CE-CG1 3.96Å; M497-V515 HydrophobicContact CE-CG2 4.09Å; M497-W540 HydrophobicContact CE-CH2 4.27Å; M497-W540 HydrophobicContact CE-CZ3 4.23Å; M497-W540 HydrophobicContact CG-CD2 4.22Å; M497-W540 HydrophobicContact CG-CH2 4.24Å; M497-W540 HydrophobicContact CG-CZ2 3.82Å; M497-W540 HydrophobicContact SD-CH2 4.49Å
498K94.7Very high94.5Very high121 Ų12152.7 Ų52.753%0.52627%0.271SS..SBendtrans-75.2-34.3177.3-54.9-54.7-177.5-168.20112E531 W540 I542K498-E531 VanDerWaalsContact CB-OE2 3.32Å; K498-E531 WeakPolarHBondContact CB-OE2 3.4Å; K498-E531 WeakPolarHBondContact CG-OE2 3.46Å; K498-E531 PolarHBondContact N-OE2 3.26Å; K498-W540 HydrophobicContact CD-CB 4.47Å; K498-W540 WeakPolarHBondContact CE-O 3.42Å; K498-W540 HydrophobicContact CG-CB 4.26Å; K498-W540 PolarHBondContact NZ-O 2.97Å; K498-I542 HydrophobicContact CB-CD1 4.32Å; K498-I542 HydrophobicContact CB-CG1 4.4Å; K498-I542 HydrophobicContact CG-CG1 4.38Å
499E92.2Very high94.4Very high33 Ų3350 Ų5015%0.15425%0.251CS..SBendtrans-126.5140.6179.3-56.6-162.9116.200112.6R501 K523 L527 S529 E531E499-R501 PolarHBondContact O-N 2.74Å; E499-R501 IonicContact OE2-NH2 3.25Å; E499-K523 IonicContact OE1-NZ 3.36Å; E499-K523 PolarHBondContact OE1-NZ 2.92Å; E499-L527 HydrophobicContact CB-CD1 4.17Å; E499-S529 VanDerWaalsContact OE2-CB 3.28Å; E499-S529 WeakPolarHBondContact OE2-CB 3.34Å; E499-S529 PolarHBondContact OE2-OG 3.09Å; E499-E531 PolarHBondContact N-OE1 3.48Å
500R93.1Very high94Very high124 Ų12447.5 Ų47.547%0.46824%0.241SC..  trans-74.5122.9169.5-62.1-177.6-174.8-171.61.1109.2T479 S520T479-R500 HydrophobicContact CG2-CB 4.41Å; T479-R500 HydrophobicContact CG2-CG 3.37Å; R500-S520 WeakPolarHBondContact O-CA 3.22Å; R500-S520 VanDerWaalsContact O-CB 3.26Å; R500-S520 WeakPolarHBondContact O-CB 3.49Å; R500-S520 PolarHBondContact O-OG 3.35Å
501R94Very high93.6Very high0 Ų041.6 Ų41.60%022%0.216CC..  trans-145.3125.1-174.662-178.972.4-140.65.9111.5G475 G476 M497 E499 C504 V515 G517 L527 S529 E531G475-R501 CarbonylContact C-O 3.54Å; G475-R501 VanDerWaalsContact CA-O 3.26Å; G475-R501 WeakPolarHBondContact CA-O 3.32Å; G476-R501 PolarHBondContact N-O 2.76Å; G476-R501 CarbonylContact O-C 3.52Å; G476-R501 VanDerWaalsContact O-C 3.22Å; M497-R501 HydrophobicContact CE-CG 4.01Å; E499-R501 PolarHBondContact O-N 2.74Å; E499-R501 IonicContact OE2-NH2 3.25Å; R501-C504 HydrophobicContact CB-CB 4.44Å; R501-C504 HydrophobicContact CG-CB 4.06Å; R501-V515 VanDerWaalsContact CD-CG1 3.48Å; R501-V515 HydrophobicContact CG-CG1 4.5Å; R501-G517 PolarHBondContact NH1-O 3.5Å; R501-L527 HydrophobicContact CB-CD1 3.67Å; R501-S529 PolarHBondContact NH1-O 2.81Å; R501-S529 PolarHBondContact NH1-OG 2.93Å; R501-S529 PolarHBondContact NH2-OG 3.47Å; R501-E531 IonicContact CZ-OE1 2.67Å; R501-E531 IonicContact NE-OE1 2.64Å; R501-E531 PolarHBondContact NE-OE1 3.11Å; R501-E531 IonicContact NH2-OE1 3.67Å; R501-E531 PolarHBondContact NH2-OE1 3.25Å
502M93.1Very high93.5Very high12 Ų1239.7 Ų39.76%0.05921%0.211CC..BIsolated β-bridgetrans-104.1150.5172.3-58.4174.4-47.400109.4Y460 G476 Q477 C504 G518 Y519 Y521Y460-M502 HydrophobicContact CD2-SD 4.11Å; Y460-M502 HydrophobicContact CE2-CE 3.93Å; Y460-M502 HydrophobicContact CE2-CG 4.31Å; Y460-M502 HydrophobicContact CE2-SD 3.2Å; Y460-M502 WeakPolarHBondContact CE2-SD 3.31Å; Y460-M502 PolarHBondContact OH-SD 2.97Å; G476-M502 VanDerWaalsContact C-CG 3.43Å; G476-M502 WeakPolarHBondContact O-CG 3.48Å; Q477-M502 HydrophobicContact CG-SD 3.81Å; M502-C504 PolarHBondContact O-N 3.48Å; M502-G518 CarbonylContact O-C 3.58Å; M502-G518 VanDerWaalsContact O-CA 3.25Å; M502-G518 WeakPolarHBondContact O-CA 3.39Å; M502-Y519 HydrophobicContact CE-CD1 3.78Å; M502-Y519 HydrophobicContact CE-CE1 4.45Å; M502-Y519 PolarHBondContact N-O 3.35Å; M502-Y519 PolarHBondContact O-N 3.38Å; M502-Y521 HydrophobicContact CE-CD2 4.37Å
503E93.8Very high93.6Very high31 Ų3134.5 Ų34.515%0.14519%0.191CC..SBendtrans54.638.3175.2-54.5177.316300111.6N411 G461 R551 S552N411-E503 PolarHBondContact ND2-OE1 3.45Å; G461-E503 PolarHBondContact O-N 2.71Å; E503-R551 HydrophobicContact CB-CB 4.36Å; E503-R551 WeakPolarHBondContact OE2-CD 3.46Å; E503-R551 IonicContact OE2-CZ 3.66Å; E503-R551 IonicContact OE2-NE 3.38Å; E503-R551 IonicContact OE2-NH1 3.56Å; E503-R551 PolarHBondContact OE2-NH1 3.09Å; E503-S552 PolarHBondContact O-N 3.43Å; E503-S552 PolarHBondContact OE2-OG 3.34Å
504C95.1Very high93.6Very high10 Ų1030.6 Ų30.67%0.06816%0.163CC..  trans-76.7173.5171.950.10000111C463 R501 M502 V515 T516C463-C504 PolarHBondContact SG-O 3.36Å; C463-C504 PolarHBondContact SG-SG 3.4Å; R501-C504 HydrophobicContact CB-CB 4.44Å; R501-C504 HydrophobicContact CG-CB 4.06Å; M502-C504 PolarHBondContact O-N 3.48Å; C504-V515 HydrophobicContact CB-CG1 3.81Å; C504-V515 VanDerWaalsContact SG-CG1 3.51Å; C504-T516 WeakPolarHBondContact CA-O 3.43Å; C504-T516 VanDerWaalsContact CB-O 3.23Å; C504-T516 WeakPolarHBondContact CB-O 3.42Å
505G95.8Very high93.7Very high5 Ų529.9 Ų29.95%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-102.9139.4165.100000109.8V515 T516 H553G505-V515 CarbonylContact O-C 3.44Å; G505-V515 WeakPolarHBondContact O-CA 3.34Å; G505-T516 PolarHBondContact N-O 3.38Å; G505-T516 PolarHBondContact O-N 3.35Å; G505-T516 PolarHBondContact O-OG1 3.16Å; G505-H553 PolarHBondContact N-CE1 3.28Å
506A96.6Very high93.8Very high19 Ų1927.8 Ų27.816%0.15715%0.145CC..EExtended strand (participates in β ladder)trans-132.1140.3177.200000111.2C463 V465 V474 Y514 V515C463-A506 HydrophobicContact CB-CB 3.67Å; V465-A506 HydrophobicContact CG1-CB 3.62Å; V474-A506 HydrophobicContact CG2-CB 4.05Å; A506-Y514 CarbonylContact C-O 3.57Å; A506-Y514 VanDerWaalsContact CA-O 3.24Å; A506-Y514 WeakPolarHBondContact CA-O 3.23Å; A506-V515 HydrophobicContact CB-CG2 4.24Å
507V96.1Very high93.8Very high15 Ų1523.9 Ų23.99%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-153.8153.6-178.669.70000111.5M278 I509 Y514 C557M278-V507 HydrophobicContact CE-CG1 3.76Å; M278-V507 HydrophobicContact CG-CG1 4.12Å; M278-V507 HydrophobicContact SD-CG1 4.31Å; V507-I509 HydrophobicContact CG1-CD1 4.02Å; V507-I509 HydrophobicContact CG1-CG1 4.05Å; V507-Y514 PolarHBondContact N-O 3.2Å; V507-Y514 PolarHBondContact O-N 3.19Å; V507-C557 HydrophobicContact CG2-CB 3.26Å
508V93.7Very high93.8Very high38 Ų3823.6 Ų23.623%0.2312%0.12CC..EExtended strand (participates in β ladder)trans-95.2130.3172.8176.90000110.1V465 S466 L467 C512 I513 C557V465-V508 HydrophobicContact CB-CG2 4.26Å; V465-V508 HydrophobicContact CG2-CG2 4.35Å; S466-V508 WeakPolarHBondContact O-CG2 3.48Å; L467-V508 HydrophobicContact CB-CG2 4.14Å; L467-V508 HydrophobicContact CD1-CG1 3.79Å; V508-C512 WeakPolarHBondContact CA-O 3.37Å; V508-I513 HydrophobicContact CG2-CG1 4.19Å; V508-C557 WeakPolarHBondContact O-CB 3.41Å; V508-C557 PolarHBondContact O-SG 2.78Å
509I89.9Confident93.9Very high2 Ų220.7 Ų20.71%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-137.6123.4176-56.5178.1000107.5P276 M278 P297 V507 G511 C512 Y514 C557P276-I509 HydrophobicContact CB-CG2 4.3Å; P276-I509 HydrophobicContact CG-CG2 3.85Å; M278-I509 HydrophobicContact CB-CD1 3.81Å; M278-I509 HydrophobicContact CE-CD1 3.46Å; M278-I509 VanDerWaalsContact CE-CD1 3.46Å; M278-I509 HydrophobicContact CG-CD1 4.32Å; P297-I509 HydrophobicContact CG-CG2 3.97Å; V507-I509 HydrophobicContact CG1-CD1 4.02Å; V507-I509 HydrophobicContact CG1-CG1 4.05Å; I509-G511 PolarHBondContact O-N 3.37Å; I509-G511 VanDerWaalsContact O-N 3.13Å; I509-C512 PolarHBondContact N-O 2.62Å; I509-C512 PolarHBondContact O-N 2.88Å; I509-Y514 HydrophobicContact CB-CD2 3.8Å; I509-Y514 HydrophobicContact CB-CE2 3.65Å; I509-Y514 HydrophobicContact CD1-CD2 4.14Å; I509-Y514 HydrophobicContact CD1-CE2 4.47Å; I509-Y514 HydrophobicContact CD1-CG 4.42Å; I509-Y514 HydrophobicContact CG1-CD2 4.06Å; I509-Y514 HydrophobicContact CG1-CE2 4.37Å; I509-Y514 HydrophobicContact CG2-CE2 4.37Å; I509-C557 HydrophobicContact CG1-CB 4.07Å
510S82.6Confident93.9Very high41 Ų4119.2 Ų19.229%0.28710%0.099SC..THydrogen-bonded Turntrans48.942.4178.8-54.70000112.7C512S510-C512 PolarHBondContact O-N 3.13Å
511G86.5Confident93.7Very high9 Ų921.6 Ų21.69%0.09311%0.109CC..THydrogen-bonded Turntrans71.18178.200000116.3Q195 L467 I509 P535Q195-G511 VanDerWaalsContact NE2-CA 3.26Å; Q195-G511 PolarHBondContact NE2-O 3.22Å; L467-G511 WeakPolarHBondContact CD2-O 3.25Å; I509-G511 PolarHBondContact O-N 3.37Å; I509-G511 VanDerWaalsContact O-N 3.13Å; G511-P535 WeakPolarHBondContact O-CG 3.24Å
512C92.4Very high93.3Very high14 Ų1425.4 Ų25.410%0.09514%0.136CC..EExtended strand (participates in β ladder)trans-106.8152.6169.7-66.40000110.3V508 I509 S510 Y514 K532 Y533V508-C512 WeakPolarHBondContact CA-O 3.37Å; I509-C512 PolarHBondContact N-O 2.62Å; I509-C512 PolarHBondContact O-N 2.88Å; S510-C512 PolarHBondContact O-N 3.13Å; C512-Y514 HydrophobicContact CB-CD2 4.41Å; C512-Y514 HydrophobicContact CB-CE2 3.78Å; C512-K532 HydrophobicContact CB-CD 4.38Å; C512-K532 HydrophobicContact CB-CG 3.94Å; C512-K532 WeakPolarHBondContact SG-CE 3.46Å; C512-Y533 WeakPolarHBondContact CA-O 3.45Å; C512-Y533 WeakPolarHBondContact CB-O 3.2Å
513I96.4Very high93.1Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-94.9125.3175-60.8168.9000108.6V465 L467 Y472 V508 V515 K532 Y533 W540V465-I513 HydrophobicContact CG2-CD1 3.73Å; V465-I513 HydrophobicContact CG2-CG1 3.9Å; V465-I513 HydrophobicContact CG2-CG2 3.84Å; L467-I513 HydrophobicContact CD2-CD1 4.33Å; L467-I513 HydrophobicContact CD2-CG1 4.08Å; Y472-I513 HydrophobicContact CD1-CD1 3.5Å; Y472-I513 HydrophobicContact CD2-CD1 3.89Å; Y472-I513 HydrophobicContact CE1-CD1 4.06Å; Y472-I513 HydrophobicContact CE2-CD1 4.42Å; Y472-I513 HydrophobicContact CG-CD1 3.4Å; V508-I513 HydrophobicContact CG2-CG1 4.19Å; I513-V515 HydrophobicContact CG2-CG2 4.14Å; I513-K532 CarbonylContact O-C 3.57Å; I513-K532 WeakPolarHBondContact O-CA 3.47Å; I513-Y533 HydrophobicContact CB-CD1 4.45Å; I513-Y533 HydrophobicContact CD1-CD1 4.04Å; I513-Y533 HydrophobicContact CG1-CD1 4.47Å; I513-Y533 PolarHBondContact N-O 3.01Å; I513-Y533 PolarHBondContact O-N 3.13Å; I513-W540 HydrophobicContact CG2-CH2 4.44Å
514Y96.8Very high93Very high22 Ų2231.3 Ų31.39%0.08617%0.173CC..EExtended strand (participates in β ladder)trans-107.5131.4174.4-69.5-102.9000109.6M278 W295 A506 V507 I509 C512 I530 E531 K532 V543M278-Y514 VanDerWaalsContact CE-CB 3.45Å; M278-Y514 HydrophobicContact CE-CD1 4.03Å; M278-Y514 HydrophobicContact CE-CG 3.81Å; W295-Y514 HydrophobicContact CH2-CD1 4.24Å; W295-Y514 AromaticContact CH2-CE1 3.75Å; W295-Y514 HydrophobicContact CH2-CE1 3.75Å; W295-Y514 HydrophobicContact CZ3-CD1 4.01Å; W295-Y514 AromaticContact CZ3-CE1 3.81Å; W295-Y514 HydrophobicContact CZ3-CE1 3.81Å; A506-Y514 CarbonylContact C-O 3.57Å; A506-Y514 VanDerWaalsContact CA-O 3.24Å; A506-Y514 WeakPolarHBondContact CA-O 3.23Å; V507-Y514 PolarHBondContact N-O 3.2Å; V507-Y514 PolarHBondContact O-N 3.19Å; I509-Y514 HydrophobicContact CB-CD2 3.8Å; I509-Y514 HydrophobicContact CB-CE2 3.65Å; I509-Y514 HydrophobicContact CD1-CD2 4.14Å; I509-Y514 HydrophobicContact CD1-CE2 4.47Å; I509-Y514 HydrophobicContact CD1-CG 4.42Å; I509-Y514 HydrophobicContact CG1-CD2 4.06Å; I509-Y514 HydrophobicContact CG1-CE2 4.37Å; I509-Y514 HydrophobicContact CG2-CE2 4.37Å; C512-Y514 HydrophobicContact CB-CD2 4.41Å; C512-Y514 HydrophobicContact CB-CE2 3.78Å; Y514-I530 HydrophobicContact CD1-CG2 4.05Å; Y514-E531 CarbonylContact C-O 3.55Å; Y514-E531 VanDerWaalsContact CA-O 3.32Å; Y514-E531 WeakPolarHBondContact CA-O 3.35Å; Y514-K532 HydrophobicContact CD1-CB 4.06Å; Y514-K532 HydrophobicContact CD1-CG 4.35Å; Y514-K532 HydrophobicContact CE1-CB 3.86Å; Y514-K532 HydrophobicContact CE1-CD 4.02Å; Y514-K532 HydrophobicContact CE1-CG 3.87Å; Y514-K532 HydrophobicContact CE2-CD 4.5Å; Y514-K532 HydrophobicContact CE2-CG 4.15Å; Y514-V543 HydrophobicContact CD1-CG2 4.24Å; Y514-V543 HydrophobicContact CE1-CG2 4.06Å
515V97.4Very high92.9Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-121.5130.1175.5-166.60000109.7V474 M497 R501 C504 G505 A506 I513 I530 E531 W540V474-V515 HydrophobicContact CB-CG2 4.26Å; V474-V515 HydrophobicContact CG2-CG2 3.74Å; M497-V515 HydrophobicContact CE-CB 3.95Å; M497-V515 HydrophobicContact CE-CG1 3.96Å; M497-V515 HydrophobicContact CE-CG2 4.09Å; R501-V515 VanDerWaalsContact CD-CG1 3.48Å; R501-V515 HydrophobicContact CG-CG1 4.5Å; C504-V515 HydrophobicContact CB-CG1 3.81Å; C504-V515 VanDerWaalsContact SG-CG1 3.51Å; G505-V515 CarbonylContact O-C 3.44Å; G505-V515 WeakPolarHBondContact O-CA 3.34Å; A506-V515 HydrophobicContact CB-CG2 4.24Å; I513-V515 HydrophobicContact CG2-CG2 4.14Å; V515-I530 WeakPolarHBondContact O-CA 3.17Å; V515-E531 PolarHBondContact N-O 3.04Å; V515-E531 PolarHBondContact O-N 3.35Å; V515-W540 HydrophobicContact CB-CZ3 4.38Å; V515-W540 HydrophobicContact CG2-CH2 3.66Å; V515-W540 HydrophobicContact CG2-CZ3 3.68Å
516T97.2Very high93Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-126.7138.2-165.9560000111.5M278 I280 C504 G505 I530 L546 H553M278-T516 HydrophobicContact CE-CG2 4.14Å; M278-T516 HydrophobicContact SD-CG2 3.51Å; M278-T516 VanDerWaalsContact SD-CG2 3.51Å; I280-T516 HydrophobicContact CD1-CG2 4.39Å; C504-T516 WeakPolarHBondContact CA-O 3.43Å; C504-T516 VanDerWaalsContact CB-O 3.23Å; C504-T516 WeakPolarHBondContact CB-O 3.42Å; G505-T516 PolarHBondContact N-O 3.38Å; G505-T516 PolarHBondContact O-N 3.35Å; G505-T516 PolarHBondContact O-OG1 3.16Å; T516-I530 HydrophobicContact CG2-CB 4.48Å; T516-I530 HydrophobicContact CG2-CG1 4.1Å; T516-I530 HydrophobicContact CG2-CG2 3.98Å; T516-L546 HydrophobicContact CG2-CD2 4.31Å; T516-H553 PolarHBondContact O-CE1 3.05Å; T516-H553 VanDerWaalsContact O-CE1 3.22Å; T516-H553 PolarHBondContact OG1-NE2 3.22Å
517G96.8Very high93Very high0 Ų034.4 Ų34.40%019%0.186CC..  trans54.4-139.9172.400000113.7R501 L527 S529R501-G517 PolarHBondContact NH1-O 3.5Å; G517-L527 VanDerWaalsContact CA-O 3.31Å; G517-L527 WeakPolarHBondContact CA-O 3.39Å; G517-S529 PolarHBondContact N-O 3.39Å; G517-S529 VanDerWaalsContact N-O 3.12Å
518G96.2Very high93Very high0 Ų037.7 Ų37.70%020%0.201CC..  trans95-177.7-175.300000112.9M502 L527 T550M502-G518 CarbonylContact O-C 3.58Å; M502-G518 VanDerWaalsContact O-CA 3.25Å; M502-G518 WeakPolarHBondContact O-CA 3.39Å; G518-L527 PolarHBondContact O-N 3.31Å; G518-T550 PolarHBondContact N-O 3.09Å
519Y95.6Very high93.1Very high60 Ų6036.4 Ų36.424%0.23519%0.193CC..EExtended strand (participates in β ladder)trans-114129.8178.5-177.9-102.3000111.3M502 Y521 T525 Y526M502-Y519 HydrophobicContact CE-CD1 3.78Å; M502-Y519 HydrophobicContact CE-CE1 4.45Å; M502-Y519 PolarHBondContact N-O 3.35Å; M502-Y519 PolarHBondContact O-N 3.38Å; Y519-Y521 HydrophobicContact CE1-CD2 4.07Å; Y519-T525 WeakPolarHBondContact CD2-O 2.81Å; Y519-Y526 HydrophobicContact CD2-CD1 4.19Å; Y519-Y526 HydrophobicContact CD2-CD2 4.41Å; Y519-Y526 HydrophobicContact CD2-CE1 4.25Å; Y519-Y526 HydrophobicContact CD2-CE2 4.45Å; Y519-Y526 HydrophobicContact CD2-CG 4.27Å; Y519-Y526 HydrophobicContact CE2-CE2 4.46Å
520S93.8Very high93.5Very high1 Ų136.3 Ų36.31%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-99.9103.8176.9-165.80000110R500 S522 K523 G524 T525R500-S520 WeakPolarHBondContact O-CA 3.22Å; R500-S520 VanDerWaalsContact O-CB 3.26Å; R500-S520 WeakPolarHBondContact O-CB 3.49Å; R500-S520 PolarHBondContact O-OG 3.35Å; S520-S522 VanDerWaalsContact C-N 3.29Å; S520-S522 PolarHBondContact O-N 3.41Å; S520-S522 PolarHBondContact OG-OG 3.05Å; S520-K523 PolarHBondContact O-N 3.02Å; S520-G524 PolarHBondContact O-N 3Å; S520-T525 PolarHBondContact N-O 3.44Å; S520-T525 PolarHBondContact O-N 3.08Å
521Y87.3Confident94.1Very high174 Ų17434.3 Ų34.368%0.68218%0.179SC*.THydrogen-bonded Turntrans-62.9-36.6-179.5-166-89.7000112.4M502 Y519 K523 G524M502-Y521 HydrophobicContact CE-CD2 4.37Å; Y519-Y521 HydrophobicContact CE1-CD2 4.07Å; Y521-K523 VanDerWaalsContact C-N 3.3Å; Y521-K523 PolarHBondContact O-N 3.33Å; Y521-G524 PolarHBondContact O-N 3.23Å
522S87.2Confident94.6Very high81 Ų8135.7 Ų35.757%0.56618%0.182SC*.THydrogen-bonded Turntrans-66.2-31.917956.40000113.1S520S520-S522 VanDerWaalsContact C-N 3.29Å; S520-S522 PolarHBondContact O-N 3.41Å; S520-S522 PolarHBondContact OG-OG 3.05Å
523K88.8Confident94.8Very high123 Ų12335.2 Ų35.254%0.53518%0.179SC..THydrogen-bonded Turntrans-94.2-15.3177.1-63.1-177.8-178.9-175.80113E499 S520 Y521 T525E499-K523 IonicContact OE1-NZ 3.36Å; E499-K523 PolarHBondContact OE1-NZ 2.92Å; S520-K523 PolarHBondContact O-N 3.02Å; Y521-K523 VanDerWaalsContact C-N 3.3Å; Y521-K523 PolarHBondContact O-N 3.33Å; K523-T525 VanDerWaalsContact C-N 3.28Å; K523-T525 HydrophobicContact CB-CG2 3.75Å; K523-T525 HydrophobicContact CD-CG2 4.43Å; K523-T525 PolarHBondContact O-N 3.22Å
524G90.4Very high94.7Very high43 Ų4336.4 Ų36.444%0.44319%0.185SC..THydrogen-bonded Turntrans64.329.3-174.700000113.6S520 Y521S520-G524 PolarHBondContact O-N 3Å; Y521-G524 PolarHBondContact O-N 3.23Å
525T94.6Very high94.5Very high65 Ų6536.8 Ų36.840%0.39919%0.19SC..EExtended strand (participates in β ladder)trans-137.2151.9-173.8-168.30000112.6Y519 S520 K523 L527Y519-T525 WeakPolarHBondContact CD2-O 2.81Å; S520-T525 PolarHBondContact N-O 3.44Å; S520-T525 PolarHBondContact O-N 3.08Å; K523-T525 VanDerWaalsContact C-N 3.28Å; K523-T525 HydrophobicContact CB-CG2 3.75Å; K523-T525 HydrophobicContact CD-CG2 4.43Å; K523-T525 PolarHBondContact O-N 3.22Å; T525-L527 HydrophobicContact CG2-CD2 4.26Å
526Y96.2Very high94.1Very high24 Ų2443.7 Ų43.79%0.09422%0.222CC..EExtended strand (participates in β ladder)trans-70.9138.5163.9-58.1-94000109Y284 Y285 W286 Y519 R551Y284-Y526 HydrophobicContact CD1-CE1 4.05Å; Y284-Y526 WeakPolarHBondContact CE1-OH 3.43Å; Y285-Y526 HydrophobicContact CD2-CD1 4.36Å; Y285-Y526 AromaticContact CD2-CD2 3.82Å; Y285-Y526 HydrophobicContact CD2-CD2 3.82Å; Y285-Y526 HydrophobicContact CD2-CE2 4.41Å; Y285-Y526 AromaticContact CD2-CG 3.81Å; Y285-Y526 HydrophobicContact CD2-CG 3.81Å; Y285-Y526 AromaticContact CE2-CD2 3.95Å; Y285-Y526 HydrophobicContact CE2-CD2 3.95Å; Y285-Y526 HydrophobicContact CE2-CG 4.24Å; W286-Y526 AromaticContact CD2-CE2 3.99Å; W286-Y526 HydrophobicContact CD2-CE2 3.99Å; W286-Y526 AromaticContact CE2-CE2 3.63Å; W286-Y526 HydrophobicContact CE3-CE2 4.45Å; W286-Y526 HydrophobicContact CG-CE2 4.44Å; W286-Y526 HydrophobicContact CH2-CE2 4.31Å; W286-Y526 HydrophobicContact CZ2-CD2 4.41Å; W286-Y526 AromaticContact CZ2-CE2 3.82Å; W286-Y526 HydrophobicContact CZ2-CE2 3.82Å; W286-Y526 AromaticContact NE1-CE2 3.88Å; Y519-Y526 HydrophobicContact CD2-CD1 4.19Å; Y519-Y526 HydrophobicContact CD2-CD2 4.41Å; Y519-Y526 HydrophobicContact CD2-CE1 4.25Å; Y519-Y526 HydrophobicContact CD2-CE2 4.45Å; Y519-Y526 HydrophobicContact CD2-CG 4.27Å; Y519-Y526 HydrophobicContact CE2-CE2 4.46Å; Y526-R551 HydrophobicContact CD1-CB 4.39Å; Y526-R551 HydrophobicContact CD1-CG 4.16Å; Y526-R551 HydrophobicContact CE1-CG 3.92Å
527L96.4Very high93.9Very high10 Ų1049.5 Ų49.55%0.05225%0.253CS..  trans-96.4150178.1-59.8177.9000109.7E499 R501 G517 G518 T525 P549 T550E499-L527 HydrophobicContact CB-CD1 4.17Å; R501-L527 HydrophobicContact CB-CD1 3.67Å; G517-L527 VanDerWaalsContact CA-O 3.31Å; G517-L527 WeakPolarHBondContact CA-O 3.39Å; G518-L527 PolarHBondContact O-N 3.31Å; T525-L527 HydrophobicContact CG2-CD2 4.26Å; L527-P549 WeakPolarHBondContact O-CA 3.38Å; L527-T550 PolarHBondContact O-N 3.35Å
528Q96.2Very high93.8Very high85 Ų8552.9 Ų52.940%0.39727%0.271SS..  trans-116.3-8.7169.163.7-175.517.700111.5T545 L546 P549Q528-T545 HydrophobicContact CG-CG2 3.9Å; Q528-T545 CarbonylContact O-C 3.58Å; Q528-T545 WeakPolarHBondContact O-CA 3.48Å; Q528-L546 HydrophobicContact CB-CB 4.36Å; Q528-L546 PolarHBondContact O-N 3.23Å; Q528-P549 HydrophobicContact CB-CB 4.45Å; Q528-P549 HydrophobicContact CB-CG 4.28Å
529S96.6Very high93.8Very high10 Ų1055 Ų557%0.0729%0.286CS..EExtended strand (participates in β ladder)trans-64.6143.8-175.453.70000112E499 R501 G517E499-S529 VanDerWaalsContact OE2-CB 3.28Å; E499-S529 WeakPolarHBondContact OE2-CB 3.34Å; E499-S529 PolarHBondContact OE2-OG 3.09Å; R501-S529 PolarHBondContact NH1-O 2.81Å; R501-S529 PolarHBondContact NH1-OG 2.93Å; R501-S529 PolarHBondContact NH2-OG 3.47Å; G517-S529 PolarHBondContact N-O 3.39Å; G517-S529 VanDerWaalsContact N-O 3.12Å
530I97.1Very high93.9Very high0 Ų052.6 Ų52.60%028%0.276CS..EExtended strand (participates in β ladder)trans-110.6117.7171.2-52.5173.6000106.9W302 Y514 V515 T516 I542 V543 G544 L546W302-I530 HydrophobicContact CZ2-CD1 3.81Å; Y514-I530 HydrophobicContact CD1-CG2 4.05Å; V515-I530 WeakPolarHBondContact O-CA 3.17Å; T516-I530 HydrophobicContact CG2-CB 4.48Å; T516-I530 HydrophobicContact CG2-CG1 4.1Å; T516-I530 HydrophobicContact CG2-CG2 3.98Å; I530-I542 WeakPolarHBondContact O-CA 3.39Å; I530-V543 HydrophobicContact CB-CG2 4.06Å; I530-V543 HydrophobicContact CG2-CG2 3.64Å; I530-V543 PolarHBondContact O-N 3.26Å; I530-G544 PolarHBondContact N-O 2.71Å; I530-L546 HydrophobicContact CD1-CD2 4.2Å; I530-L546 HydrophobicContact CG1-CD2 4.23Å; I530-L546 HydrophobicContact CG1-CG 4.42Å
531E96.8Very high94Very high0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-102.6135.7173.6-72.1-173.8-122.200109.6K498 E499 R501 Y514 V515 W540 E541 I542K498-E531 VanDerWaalsContact CB-OE2 3.32Å; K498-E531 WeakPolarHBondContact CB-OE2 3.4Å; K498-E531 WeakPolarHBondContact CG-OE2 3.46Å; K498-E531 PolarHBondContact N-OE2 3.26Å; E499-E531 PolarHBondContact N-OE1 3.48Å; R501-E531 IonicContact CZ-OE1 2.67Å; R501-E531 IonicContact NE-OE1 2.64Å; R501-E531 PolarHBondContact NE-OE1 3.11Å; R501-E531 IonicContact NH2-OE1 3.67Å; R501-E531 PolarHBondContact NH2-OE1 3.25Å; Y514-E531 CarbonylContact C-O 3.55Å; Y514-E531 VanDerWaalsContact CA-O 3.32Å; Y514-E531 WeakPolarHBondContact CA-O 3.35Å; V515-E531 PolarHBondContact N-O 3.04Å; V515-E531 PolarHBondContact O-N 3.35Å; E531-W540 HydrophobicContact CB-CE3 3.81Å; E531-W540 HydrophobicContact CB-CZ3 4.12Å; E531-E541 CarbonylContact C-O 3.55Å; E531-E541 VanDerWaalsContact CA-O 3.29Å; E531-E541 WeakPolarHBondContact CA-O 3.36Å; E531-I542 HydrophobicContact CG-CG1 3.99Å
532K96.3Very high94.5Very high38 Ų3853.2 Ų53.217%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-111.4131.2173.1176.8-168.8159.9-147.40108.3C512 I513 Y514 W540 E541 V543C512-K532 HydrophobicContact CB-CD 4.38Å; C512-K532 HydrophobicContact CB-CG 3.94Å; C512-K532 WeakPolarHBondContact SG-CE 3.46Å; I513-K532 CarbonylContact O-C 3.57Å; I513-K532 WeakPolarHBondContact O-CA 3.47Å; Y514-K532 HydrophobicContact CD1-CB 4.06Å; Y514-K532 HydrophobicContact CD1-CG 4.35Å; Y514-K532 HydrophobicContact CE1-CB 3.86Å; Y514-K532 HydrophobicContact CE1-CD 4.02Å; Y514-K532 HydrophobicContact CE1-CG 3.87Å; Y514-K532 HydrophobicContact CE2-CD 4.5Å; Y514-K532 HydrophobicContact CE2-CG 4.15Å; K532-W540 CarbonylContact O-C 3.58Å; K532-W540 VanDerWaalsContact O-CA 3.3Å; K532-W540 WeakPolarHBondContact O-CA 3.26Å; K532-E541 HydrophobicContact CB-CG 4.15Å; K532-E541 HydrophobicContact CD-CG 4.49Å; K532-E541 WeakPolarHBondContact CD-OE1 3.5Å; K532-E541 PolarHBondContact N-O 3.18Å; K532-E541 IonicContact NZ-OE1 3.2Å; K532-E541 PolarHBondContact NZ-OE1 2.92Å; K532-E541 PolarHBondContact O-N 3.04Å; K532-V543 HydrophobicContact CB-CG1 3.6Å; K532-V543 HydrophobicContact CB-CG2 4.14Å; K532-V543 HydrophobicContact CD-CG1 4.01Å; K532-V543 HydrophobicContact CG-CG1 4.48Å
533Y97.4Very high94.8Very high4 Ų451.2 Ų51.22%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-105.4126.2169.3175.5-106000109.9Y472 I494 C512 I513 P535 D538 S539 W540Y472-Y533 HydrophobicContact CD1-CE1 4.43Å; Y472-Y533 AromaticContact CE1-CE1 3.88Å; Y472-Y533 HydrophobicContact CE1-CE1 3.88Å; I494-Y533 HydrophobicContact CB-CE2 4.32Å; I494-Y533 HydrophobicContact CD1-CD1 4.31Å; I494-Y533 HydrophobicContact CD1-CD2 4.26Å; I494-Y533 HydrophobicContact CD1-CE1 3.86Å; I494-Y533 HydrophobicContact CD1-CE2 3.79Å; I494-Y533 HydrophobicContact CD1-CG 4.49Å; C512-Y533 WeakPolarHBondContact CA-O 3.45Å; C512-Y533 WeakPolarHBondContact CB-O 3.2Å; I513-Y533 HydrophobicContact CB-CD1 4.45Å; I513-Y533 HydrophobicContact CD1-CD1 4.04Å; I513-Y533 HydrophobicContact CG1-CD1 4.47Å; I513-Y533 PolarHBondContact N-O 3.01Å; I513-Y533 PolarHBondContact O-N 3.13Å; Y533-P535 HydrophobicContact CE1-CB 3.9Å; Y533-D538 WeakPolarHBondContact CE2-OD1 3.37Å; Y533-D538 PolarHBondContact OH-OD1 3.37Å; Y533-D538 VanDerWaalsContact OH-OD1 3.06Å; Y533-S539 WeakPolarHBondContact CA-O 3.38Å; Y533-W540 AromaticContact CD2-CD1 3.77Å; Y533-W540 AromaticContact CD2-CD2 3.95Å; Y533-W540 HydrophobicContact CD2-CD2 3.95Å; Y533-W540 AromaticContact CD2-CE2 3.56Å; Y533-W540 HydrophobicContact CD2-CG 4.08Å; Y533-W540 HydrophobicContact CD2-CZ2 4.04Å; Y533-W540 AromaticContact CD2-NE1 3.42Å; Y533-W540 HydrophobicContact CG-CD2 4.22Å; Y533-W540 AromaticContact CG-CE2 3.85Å; Y533-W540 HydrophobicContact CG-CH2 4.31Å; Y533-W540 AromaticContact CG-CZ2 3.91Å; Y533-W540 HydrophobicContact CG-CZ2 3.91Å
534D93.7Very high95Very high25 Ų2546.2 Ų46.213%0.13425%0.254CS..EExtended strand (participates in β ladder)trans-99.3114.7172-171.1-40.8000108.9E536 L537 D538 S539D534-E536 VanDerWaalsContact C-N 3.29Å; D534-E536 PolarHBondContact O-N 3.34Å; D534-E536 WeakPolarHBondContact OD1-CB 3.38Å; D534-E536 PolarHBondContact OD1-N 3.05Å; D534-L537 HydrophobicContact CB-CB 4.17Å; D534-L537 HydrophobicContact CB-CD1 4.38Å; D534-L537 HydrophobicContact CB-CG 4.42Å; D534-L537 PolarHBondContact OD1-N 3.05Å; D534-D538 WeakPolarHBondContact O-CA 3.22Å; D534-D538 PolarHBondContact O-N 2.95Å; D534-S539 PolarHBondContact N-O 3.47Å; D534-S539 PolarHBondContact O-N 3.37Å
535P92.1Very high95.3Very high29 Ų2947.4 Ų47.419%0.18825%0.253CS..THydrogen-bonded Turntrans-70.7-21.4-178.931.7-38000113.9L467 G511 Y533L467-P535 HydrophobicContact CD2-CB 4.41Å; L467-P535 HydrophobicContact CD2-CG 4.05Å; G511-P535 WeakPolarHBondContact O-CG 3.24Å; Y533-P535 HydrophobicContact CE1-CB 3.9Å
536E89.3Confident95.4Very high145 Ų14544.5 Ų44.568%0.67824%0.235SC*.THydrogen-bonded Turntrans-78.7-39.7179-57.2-172.1146.200110.7D534D534-E536 VanDerWaalsContact C-N 3.29Å; D534-E536 PolarHBondContact O-N 3.34Å; D534-E536 WeakPolarHBondContact OD1-CB 3.38Å; D534-E536 PolarHBondContact OD1-N 3.05Å
537L92.3Very high95.4Very high123 Ų12346.5 Ų46.564%0.64425%0.251SS*.THydrogen-bonded Turntrans-86.3-10.6178-59.6178.6000113.3D534 S539D534-L537 HydrophobicContact CB-CB 4.17Å; D534-L537 HydrophobicContact CB-CD1 4.38Å; D534-L537 HydrophobicContact CB-CG 4.42Å; D534-L537 PolarHBondContact OD1-N 3.05Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.99Å
538D95.4Very high95.2Very high71 Ų7147.6 Ų47.638%0.3826%0.26SS..THydrogen-bonded Turntrans43.656.6-168.7-17827.3000110.8S495 Y533 D534S495-D538 WeakPolarHBondContact CB-O 3.37Å; S495-D538 WeakPolarHBondContact CB-OD1 3.21Å; S495-D538 PolarHBondContact N-OD1 3.24Å; S495-D538 PolarHBondContact OG-O 3.25Å; Y533-D538 WeakPolarHBondContact CE2-OD1 3.37Å; Y533-D538 PolarHBondContact OH-OD1 3.37Å; Y533-D538 VanDerWaalsContact OH-OD1 3.06Å; D534-D538 WeakPolarHBondContact O-CA 3.22Å; D534-D538 PolarHBondContact O-N 2.95Å
539S96.8Very high95.2Very high45 Ų4544.8 Ų44.832%0.31525%0.249SC..EExtended strand (participates in β ladder)trans-147.4146.7-17578.10000113.3Y533 D534 L537Y533-S539 WeakPolarHBondContact CA-O 3.38Å; D534-S539 PolarHBondContact N-O 3.47Å; D534-S539 PolarHBondContact O-N 3.37Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.99Å
540W97.6Very high95.1Very high8 Ų844.4 Ų44.43%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-101.4142.1174-67.589.8000111V474 A481 I494 S495 M497 K498 I513 V515 E531 K532 Y533V474-W540 HydrophobicContact CB-CH2 4.41Å; V474-W540 HydrophobicContact CG1-CH2 3.9Å; V474-W540 HydrophobicContact CG1-CZ2 3.92Å; A481-W540 HydrophobicContact CB-CZ2 4.34Å; I494-W540 HydrophobicContact CD1-CZ2 4.41Å; S495-W540 PolarHBondContact O-NE1 3.47Å; M497-W540 HydrophobicContact CE-CH2 4.27Å; M497-W540 HydrophobicContact CE-CZ3 4.23Å; M497-W540 HydrophobicContact CG-CD2 4.22Å; M497-W540 HydrophobicContact CG-CH2 4.24Å; M497-W540 HydrophobicContact CG-CZ2 3.82Å; M497-W540 HydrophobicContact SD-CH2 4.49Å; K498-W540 HydrophobicContact CD-CB 4.47Å; K498-W540 WeakPolarHBondContact CE-O 3.42Å; K498-W540 HydrophobicContact CG-CB 4.26Å; K498-W540 PolarHBondContact NZ-O 2.97Å; I513-W540 HydrophobicContact CG2-CH2 4.44Å; V515-W540 HydrophobicContact CB-CZ3 4.38Å; V515-W540 HydrophobicContact CG2-CH2 3.66Å; V515-W540 HydrophobicContact CG2-CZ3 3.68Å; E531-W540 HydrophobicContact CB-CE3 3.81Å; E531-W540 HydrophobicContact CB-CZ3 4.12Å; K532-W540 CarbonylContact O-C 3.58Å; K532-W540 VanDerWaalsContact O-CA 3.3Å; K532-W540 WeakPolarHBondContact O-CA 3.26Å; Y533-W540 AromaticContact CD2-CD1 3.77Å; Y533-W540 AromaticContact CD2-CD2 3.95Å; Y533-W540 HydrophobicContact CD2-CD2 3.95Å; Y533-W540 AromaticContact CD2-CE2 3.56Å; Y533-W540 HydrophobicContact CD2-CG 4.08Å; Y533-W540 HydrophobicContact CD2-CZ2 4.04Å; Y533-W540 AromaticContact CD2-NE1 3.42Å; Y533-W540 HydrophobicContact CG-CD2 4.22Å; Y533-W540 AromaticContact CG-CE2 3.85Å; Y533-W540 HydrophobicContact CG-CH2 4.31Å; Y533-W540 AromaticContact CG-CZ2 3.91Å; Y533-W540 HydrophobicContact CG-CZ2 3.91Å
541E96.5Very high95Very high93 Ų9346 Ų4644%0.43525%0.252SS..EExtended strand (participates in β ladder)trans-136.9148.617157.9174.2172.200111.3E531 K532 V543E531-E541 CarbonylContact C-O 3.55Å; E531-E541 VanDerWaalsContact CA-O 3.29Å; E531-E541 WeakPolarHBondContact CA-O 3.36Å; K532-E541 HydrophobicContact CB-CG 4.15Å; K532-E541 HydrophobicContact CD-CG 4.49Å; K532-E541 WeakPolarHBondContact CD-OE1 3.5Å; K532-E541 PolarHBondContact N-O 3.18Å; K532-E541 IonicContact NZ-OE1 3.2Å; K532-E541 PolarHBondContact NZ-OE1 2.92Å; K532-E541 PolarHBondContact O-N 3.04Å; E541-V543 HydrophobicContact CG-CG1 3.77Å
542I96.3Very high94.9Very high96 Ų9647.2 Ų47.249%0.49226%0.26SS..EExtended strand (participates in β ladder)trans-88.9116.6172.6-62.9172.2000107.5K498 I530 E531K498-I542 HydrophobicContact CB-CD1 4.32Å; K498-I542 HydrophobicContact CB-CG1 4.4Å; K498-I542 HydrophobicContact CG-CG1 4.38Å; I530-I542 WeakPolarHBondContact O-CA 3.39Å; E531-I542 HydrophobicContact CG-CG1 3.99Å
543V94.8Very high94.9Very high39 Ų3945.9 Ų45.924%0.23626%0.255CS..EExtended strand (participates in β ladder)trans-104.6-14.8-171.9-63.90000113.8W295 Y514 I530 K532 E541W295-V543 HydrophobicContact CH2-CG2 4.45Å; Y514-V543 HydrophobicContact CD1-CG2 4.24Å; Y514-V543 HydrophobicContact CE1-CG2 4.06Å; I530-V543 HydrophobicContact CB-CG2 4.06Å; I530-V543 HydrophobicContact CG2-CG2 3.64Å; I530-V543 PolarHBondContact O-N 3.26Å; K532-V543 HydrophobicContact CB-CG1 3.6Å; K532-V543 HydrophobicContact CB-CG2 4.14Å; K532-V543 HydrophobicContact CD-CG1 4.01Å; K532-V543 HydrophobicContact CG-CG1 4.48Å; E541-V543 HydrophobicContact CG-CG1 3.77Å
544G93.3Very high94.9Very high17 Ų1746 Ų4618%0.17526%0.257CS..EExtended strand (participates in β ladder)trans174.7-166.8-178.400000113.5I530I530-G544 PolarHBondContact N-O 2.71Å
545T96.3Very high95Very high69 Ų6945.7 Ų45.742%0.42326%0.257SS..EExtended strand (participates in β ladder)trans-13814617857.50000111.6W302 Q528W302-T545 PolarHBondContact NE1-O 2.91Å; W302-T545 VanDerWaalsContact NE1-O 3.12Å; Q528-T545 HydrophobicContact CG-CG2 3.9Å; Q528-T545 CarbonylContact O-C 3.58Å; Q528-T545 WeakPolarHBondContact O-CA 3.48Å
546L96.6Very high95.3Very high4 Ų444.9 Ų44.92%0.02125%0.251CS..  trans-61.2153.3166.8-60.4-179.1000110.6I280 W302 T516 Q528 I530 S548 T550I280-L546 HydrophobicContact CD1-CD2 4.1Å; I280-L546 HydrophobicContact CG1-CD2 3.92Å; W302-L546 HydrophobicContact CH2-CD2 3.53Å; W302-L546 HydrophobicContact CZ2-CD2 3.77Å; T516-L546 HydrophobicContact CG2-CD2 4.31Å; Q528-L546 HydrophobicContact CB-CB 4.36Å; Q528-L546 PolarHBondContact O-N 3.23Å; I530-L546 HydrophobicContact CD1-CD2 4.2Å; I530-L546 HydrophobicContact CG1-CD2 4.23Å; I530-L546 HydrophobicContact CG1-CG 4.42Å; L546-S548 WeakPolarHBondContact CB-O 3.48Å; L546-S548 PolarHBondContact O-N 3.49Å; L546-T550 HydrophobicContact CD1-CG2 3.58Å
547P95.2Very high95.5Very high66 Ų6638.8 Ų38.843%0.42923%0.225SC..SBendtrans-59.3-32175.4-26.137.1000113.3H293 W302H293-P547 HydrophobicContact CB-CG 4.24Å; W302-P547 HydrophobicContact CB-CG 4.31Å; W302-P547 HydrophobicContact CD2-CG 3.65Å; W302-P547 HydrophobicContact CE3-CG 3.83Å; W302-P547 HydrophobicContact CG-CG 3.88Å; W302-P547 HydrophobicContact CZ3-CG 4.38Å
548S92.4Very high95.5Very high32 Ų3233 Ų3322%0.22419%0.194CC..SBendtrans-138.9148.6173.858.10000111L546 T550L546-S548 WeakPolarHBondContact CB-O 3.48Å; L546-S548 PolarHBondContact O-N 3.49Å; S548-T550 PolarHBondContact O-N 2.95Å
549P95.8Very high95Very high27 Ų2730.8 Ų30.818%0.17518%0.182CC..  trans-59.9136.8168.9-18.930.9000110.4Y285 L527 Q528Y285-P549 VanDerWaalsContact CB-O 3.27Å; Y285-P549 WeakPolarHBondContact CB-O 3.41Å; Y285-P549 HydrophobicContact CD2-CB 4.06Å; Y285-P549 WeakPolarHBondContact CD2-O 3.09Å; Y285-P549 HydrophobicContact CE2-CB 3.99Å; Y285-P549 HydrophobicContact CE2-CG 4.23Å; L527-P549 WeakPolarHBondContact O-CA 3.38Å; Q528-P549 HydrophobicContact CB-CB 4.45Å; Q528-P549 HydrophobicContact CB-CG 4.28Å
550T95.6Very high94.1Very high2 Ų230.1 Ų30.11%0.01218%0.177CC..  trans-158.2154.8-179-177.70000111.2G282 Y284 G518 L527 L546 S548 H553G282-T550 PolarHBondContact O-OG1 2.97Å; Y284-T550 PolarHBondContact N-OG1 3.17Å; G518-T550 PolarHBondContact N-O 3.09Å; L527-T550 PolarHBondContact O-N 3.35Å; L546-T550 HydrophobicContact CD1-CG2 3.58Å; S548-T550 PolarHBondContact O-N 2.95Å; T550-H553 HydrophobicContact CG2-CB 4.15Å
551R95.3Very high93.1Very high34 Ų3430.1 Ų30.113%0.12818%0.178CC..BIsolated β-bridgetrans-129.2163.616872.5179.3177.476.314.1109.4G283 Y284 E503 Y526 H553G283-R551 CarbonylContact C-O 3.55Å; G283-R551 WeakPolarHBondContact CA-O 3.37Å; Y284-R551 VanDerWaalsContact CD1-NH2 3.31Å; Y284-R551 PolarHBondContact N-O 3.43Å; Y284-R551 PolarHBondContact O-N 3.12Å; E503-R551 HydrophobicContact CB-CB 4.36Å; E503-R551 WeakPolarHBondContact OE2-CD 3.46Å; E503-R551 IonicContact OE2-CZ 3.66Å; E503-R551 IonicContact OE2-NE 3.38Å; E503-R551 IonicContact OE2-NH1 3.56Å; E503-R551 PolarHBondContact OE2-NH1 3.09Å; Y526-R551 HydrophobicContact CD1-CB 4.39Å; Y526-R551 HydrophobicContact CD1-CG 4.16Å; Y526-R551 HydrophobicContact CE1-CG 3.92Å; R551-H553 PolarHBondContact O-N 3.34Å; R551-H553 VanDerWaalsContact O-N 3.08Å
552S94.9Very high91.4Very high24 Ų2435.3 Ų35.317%0.16820%0.202CC..SBendtrans55.325176.9-47.30000113.7E503E503-S552 PolarHBondContact O-N 3.43Å; E503-S552 PolarHBondContact OE2-OG 3.34Å
553H96.4Very high91.1Very high11 Ų1132.3 Ų32.35%0.05119%0.187CC..  trans-78.7153.3173.757-78.7000110.7I280 G282 G505 T516 T550 R551I280-H553 HydrophobicContact CG2-CB 4.18Å; G282-H553 WeakPolarHBondContact O-CB 3Å; G505-H553 PolarHBondContact N-CE1 3.28Å; T516-H553 PolarHBondContact O-CE1 3.05Å; T516-H553 VanDerWaalsContact O-CE1 3.22Å; T516-H553 PolarHBondContact OG1-NE2 3.22Å; T550-H553 HydrophobicContact CG2-CB 4.15Å; R551-H553 PolarHBondContact O-N 3.34Å; R551-H553 VanDerWaalsContact O-N 3.08Å
554G96.3Very high90.9Very high6 Ų631.9 Ų31.96%0.06218%0.184CC..EExtended strand (participates in β ladder)trans-69.8138.516600000110.4I280 I281I280-G554 CarbonylContact C-O 3.52Å; I280-G554 VanDerWaalsContact CA-O 3.29Å; I280-G554 WeakPolarHBondContact CA-O 3.18Å; I281-G554 PolarHBondContact N-O 3.39Å; I281-G554 PolarHBondContact O-N 3.47Å
555C96.6Very high90.8Very high19 Ų1932.8 Ų32.813%0.12819%0.185CC..EExtended strand (participates in β ladder)trans-136115174.6-173.60000108.8Y279 I280Y279-C555 WeakPolarHBondContact O-CA 3.44Å; I280-C555 HydrophobicContact CD1-CB 4.17Å
556V96.9Very high90.5Very high12 Ų1230.6 Ų30.67%0.07317%0.171CC..EExtended strand (participates in β ladder)trans-138.4153.3-179.3-62.10000111.1Y279 V318 L320 I325 V558Y279-V556 PolarHBondContact N-O 2.98Å; Y279-V556 PolarHBondContact O-N 2.84Å; V318-V556 HydrophobicContact CG1-CG1 4.01Å; L320-V556 HydrophobicContact CB-CB 4.12Å; L320-V556 HydrophobicContact CB-CG1 4.18Å; L320-V556 HydrophobicContact CB-CG2 4.48Å; I325-V556 HydrophobicContact CD1-CG2 3.55Å; I325-V556 HydrophobicContact CG1-CG2 3.93Å; V556-V558 HydrophobicContact CG2-CG2 4.21Å
557C94.3Very high90.1Very high17 Ų1732.3 Ų32.312%0.11518%0.18CC..EExtended strand (participates in β ladder)trans-106.6117179.9166.90000108.1P276 L320 V507 V508 I509 H559P276-C557 WeakPolarHBondContact CB-SG 3.28Å; L320-C557 WeakPolarHBondContact CD2-O 3.21Å; V507-C557 HydrophobicContact CG2-CB 3.26Å; V508-C557 WeakPolarHBondContact O-CB 3.41Å; V508-C557 PolarHBondContact O-SG 2.78Å; I509-C557 HydrophobicContact CG1-CB 4.07Å; C557-H559 VanDerWaalsContact SG-CE1 3.6Å
558V91.7Very high89.7Confident0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-109.7128.7-176-179.10000109.2P276 S277 Y279 L320 I325 C347 V556P276-V558 WeakPolarHBondContact CA-O 3.44Å; S277-V558 PolarHBondContact N-O 3.06Å; S277-V558 PolarHBondContact O-N 2.73Å; Y279-V558 HydrophobicContact CD2-CB 3.68Å; Y279-V558 HydrophobicContact CD2-CG2 3.34Å; Y279-V558 HydrophobicContact CE2-CB 3.5Å; Y279-V558 HydrophobicContact CE2-CG1 4.07Å; Y279-V558 HydrophobicContact CE2-CG2 3.59Å; Y279-V558 HydrophobicContact CG-CG2 3.94Å; L320-V558 HydrophobicContact CD1-CG2 3.99Å; L320-V558 HydrophobicContact CD2-CG2 3.97Å; I325-V558 HydrophobicContact CD1-CG2 4.21Å; C347-V558 HydrophobicContact CB-CG1 3.87Å; V556-V558 HydrophobicContact CG2-CG2 4.21Å
559H86.1Confident89.5Confident26 Ų2629.9 Ų29.912%0.1216%0.159CC..  trans-94.797.7173.1-61.481.4000108.1R160 S164 T193 C557R160-H559 HydrophobicContact CG-CB 3.98Å; R160-H559 PolarHBondContact NE-O 3.14Å; S164-H559 WeakPolarHBondContact CB-ND1 2.94Å; T193-H559 PolarHBondContact OG1-CD2 3.46Å; T193-H559 VanDerWaalsContact OG1-CD2 3.23Å; T193-H559 PolarHBondContact OG1-NE2 2.84Å; C557-H559 VanDerWaalsContact SG-CE1 3.6Å
560S77Confident89.1Confident30 Ų3030.2 Ų30.221%0.2116%0.158CC..  trans-68134.6176.3-60.70000109.7
561V76.6Confident88.5Confident9 Ų932.5 Ų32.56%0.05517%0.17CC..  trans-127.7123.2179.1-83.10000107.7R156 R159 R160 L163R156-V561 HydrophobicContact CG-CB 3.95Å; R156-V561 HydrophobicContact CG-CG2 3.26Å; R159-V561 HydrophobicContact CB-CG1 4.39Å; R159-V561 HydrophobicContact CG-CG1 4.13Å; R160-V561 HydrophobicContact CB-CG1 4.03Å; R160-V561 HydrophobicContact CB-CG2 4.12Å; L163-V561 HydrophobicContact CD1-CG1 3.52Å
562H60.3Low87.9Confident202 Ų20232.4 Ų32.494%0.93517%0.174SC*.  trans-95.20-178.2-71.6-47.5000112.6

Retrieved 562 of 562 residues in 580.5 ms (Link to these results)

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