A0A060VVS3_ONCMY Loading...

XPA C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A060VVS3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110534453, Length 278 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.6Very low47.4Very low233 Ų233158.4 Ų158.4100%1.14886%0.861SS**  0790-93-174175.800104
2D46.6Very low46.4Very low156 Ų156158.3 Ų158.383%0.83486%0.86SS**  trans-103.3127.6-156.8-66.8-79.1000109.5
3L47.8Very low45.8Very low173 Ų173158.5 Ų158.591%0.90686%0.859SS**  trans-64.2127.9178.9-69.3154.9000110
4L52.1Low45.2Very low174 Ų174153.4 Ų153.491%0.91185%0.85SS**  trans-130.6111.2163.8-91.8159.3000108.8
5E55.8Low44.7Very low179 Ų179150.8 Ų150.884%0.83685%0.847SS**PPolyproline II helixtrans-70153.3174.5-67.6177.3154.200111.8
6P54.9Low44.2Very low115 Ų115148.3 Ų148.375%0.74784%0.842SS**PPolyproline II helixtrans-77.5149.1-18031.4-34.5000112.9
7P47.5Very low44Very low133 Ų133146.9 Ų146.986%0.86484%0.84SS**PPolyproline II helixtrans-74.9140.6-174.229.7-34.3000113.6
8T47.3Very low43.7Very low123 Ų123144.9 Ų144.976%0.75584%0.837SS**PPolyproline II helixtrans-70.2154.5176.150.80000113.9
9P41.2Very low43.4Very low123 Ų123147.9 Ų147.980%0.79984%0.842SS**PPolyproline II helixtrans-76.5139.7-178.531.1-33.3000113
10V42.5Very low43.3Very low132 Ų132146.1 Ų146.180%0.884%0.839SS**PPolyproline II helixtrans-69.1130.4178.2-175.10000110
11K36.5Very low43.3Very low201 Ų201148.8 Ų148.887%0.87484%0.841SS**  trans-80.2113.1173.2-75.4176.5175.1176.10109.5N13K11-N13 PolarHBondContact O-N 3.16Å
12D35.5Very low42.9Very low158 Ų158142.2 Ų142.285%0.84582%0.824SS**  trans-73.5113.9167.3-73.4-42.2000110A14D12-A14 PolarHBondContact O-N 3.27Å
13N38.1Very low42.9Very low160 Ų160143.6 Ų143.686%0.85682%0.822SS**  trans-82.187177.9-153.816000108.6K11 S15K11-N13 PolarHBondContact O-N 3.16Å; N13-S15 PolarHBondContact O-N 3.22Å
14A37.9Very low43.2Very low88 Ų88142.5 Ų142.573%0.72782%0.817SS**  trans-77.599.6173.200000109.6D12 S16D12-A14 PolarHBondContact O-N 3.27Å; A14-S16 PolarHBondContact O-N 2.89Å
15S37.5Very low43.2Very low114 Ų114139.6 Ų139.680%0.79781%0.811SS**PPolyproline II helixtrans-55.5117.6168.2-74.70000111N13N13-S15 PolarHBondContact O-N 3.22Å
16S36.6Very low44.1Very low111 Ų111137.2 Ų137.278%0.77680%0.804SS**PPolyproline II helixtrans-60.3130.4170.2-32.20000110.8A14A14-S16 PolarHBondContact O-N 2.89Å
17P39.9Very low45.4Very low124 Ų124135.3 Ų135.381%0.80579%0.787SS**PPolyproline II helixtrans-77.1130.716217.4-6.5000109.4
18S38.4Very low47.4Very low112 Ų112132.4 Ų132.478%0.78377%0.767SS**PPolyproline II helixtrans-50.8138.9-178.441.10000114.3S20S18-S20 PolarHBondContact O-N 3.08Å
19E39.8Very low49.3Very low201 Ų201131.9 Ų131.994%0.93977%0.765SS**  trans-53.7102.5170.7-73.6174.1134.200110.9K21E19-K21 PolarHBondContact O-N 2.66Å
20S40.8Very low51.6Low111 Ų111129.4 Ų129.478%0.77676%0.755SS**  trans-80109.2163.247.90000108.1S18 A22S18-S20 PolarHBondContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 2.96Å
21K42.8Very low53.7Low204 Ų204127.8 Ų127.889%0.88774%0.74SS**  trans-25107.2166.3-107171.7172.8173.10111.5E19 K23E19-K21 PolarHBondContact O-N 2.66Å; K21-K23 PolarHBondContact O-N 3.01Å
22A42.2Very low56.3Low95 Ų95124.7 Ų124.779%0.78572%0.723SS**  trans-58104.4174.600000109.2S20 N24S20-A22 PolarHBondContact O-N 2.96Å; A22-N24 PolarHBondContact O-N 3.19Å
23K45.5Very low59Low185 Ų185119.5 Ų119.580%0.80470%0.702SS**  trans-65.2117.1164.7-68.8177.5178.8177.60106K21 C25K21-K23 PolarHBondContact O-N 3.01Å; K23-C25 VanDerWaalsContact C-N 3.35Å; K23-C25 PolarHBondContact O-N 2.69Å
24N53.5Low61.6Low149 Ų149118.1 Ų118.180%0.79769%0.688SS**  trans-56.3101.7168.1-88-19.6000108.1A22 D26A22-N24 PolarHBondContact O-N 3.19Å; N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.9Å
25C53.7Low64.2Low114 Ų114118.2 Ų118.277%0.7768%0.676SS**  trans-77.484.2171.2-68.40000107.3K23 L27K23-C25 VanDerWaalsContact C-N 3.35Å; K23-C25 PolarHBondContact O-N 2.69Å; C25-L27 PolarHBondContact O-N 2.95Å
26D74.4Confident66.9Low129 Ų129116.5 Ų116.569%0.6966%0.655SS**  trans-58.1110.2172.9-80-46.7000109.3N24 T28 R32N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 2.9Å; D26-T28 PolarHBondContact O-N 2.89Å; D26-R32 IonicContact OD1-NH2 2.71Å
27L82.3Confident69.7Low74 Ų74118.7 Ų118.739%0.38765%0.646SS.*  trans-56.5131.2178.9-67.5169000109.3C25 M31 R32 I35C25-L27 PolarHBondContact O-N 2.95Å; L27-M31 HydrophobicContact CB-CB 4.32Å; L27-M31 HydrophobicContact CD2-CB 4.43Å; L27-M31 HydrophobicContact CD2-CE 3.62Å; L27-M31 HydrophobicContact CD2-SD 4.25Å; L27-R32 HydrophobicContact CB-CG 3.86Å; L27-R32 PolarHBondContact O-NE 2.9Å; L27-R32 PolarHBondContact O-NH2 2.86Å; L27-I35 HydrophobicContact CD1-CD1 3.64Å
28T88.5Confident72.2Confident73 Ų73117.6 Ų117.645%0.44863%0.634SS.*  trans-57.8152176.2640000110.5D26 A30 M31 R32D26-T28 PolarHBondContact O-N 2.89Å; T28-A30 PolarHBondContact O-N 2.83Å; T28-A30 VanDerWaalsContact O-N 3.12Å; T28-M31 HydrophobicContact CG2-SD 4.48Å; T28-M31 WeakPolarHBondContact O-CB 3.36Å; T28-M31 PolarHBondContact O-N 2.7Å; T28-M31 VanDerWaalsContact OG1-CG 3.26Å; T28-M31 WeakPolarHBondContact OG1-CG 3.38Å; T28-M31 PolarHBondContact OG1-N 2.81Å; T28-M31 PolarHBondContact OG1-SD 3Å; T28-R32 PolarHBondContact O-N 2.71Å
29P88.7Confident75Confident111 Ų111119.9 Ų119.972%0.72163%0.625SS**Hα-helixtrans-53.3-36179.5-2734.4000113.2R32 A33P29-R32 PolarHBondContact O-N 3.08Å; P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.45Å
30A88.9Confident77.7Confident72 Ų72115.3 Ų115.360%0.59560%0.604SS**Hα-helixtrans-64.8-39.8176.100000112.9T28 A33 K34T28-A30 PolarHBondContact O-N 2.83Å; T28-A30 VanDerWaalsContact O-N 3.12Å; A30-A33 PolarHBondContact O-N 2.78Å; A30-K34 PolarHBondContact O-N 3.28Å; A30-K34 VanDerWaalsContact O-N 3.08Å
31M86.3Confident80.2Confident98 Ų98118.7 Ų118.748%0.48360%0.599SS.*Hα-helixtrans-67.9-41.8176.1-69.2171.480.200111.2L27 T28 A33 K34 I35L27-M31 HydrophobicContact CB-CB 4.32Å; L27-M31 HydrophobicContact CD2-CB 4.43Å; L27-M31 HydrophobicContact CD2-CE 3.62Å; L27-M31 HydrophobicContact CD2-SD 4.25Å; T28-M31 HydrophobicContact CG2-SD 4.48Å; T28-M31 WeakPolarHBondContact O-CB 3.36Å; T28-M31 PolarHBondContact O-N 2.7Å; T28-M31 VanDerWaalsContact OG1-CG 3.26Å; T28-M31 WeakPolarHBondContact OG1-CG 3.38Å; T28-M31 PolarHBondContact OG1-N 2.81Å; T28-M31 PolarHBondContact OG1-SD 3Å; M31-A33 PolarHBondContact O-N 3.46Å; M31-K34 PolarHBondContact O-N 2.94Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.3Å; M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 2.99Å
32R91.4Very high82.5Confident136 Ų136111.8 Ų111.851%0.51358%0.58SS.*Hα-helixtrans-60.6-43.7175.2-62.7-178.6-166.4-164.8-2.3111.6D26 L27 T28 P29 K34 I35 E36D26-R32 IonicContact OD1-NH2 2.71Å; L27-R32 HydrophobicContact CB-CG 3.86Å; L27-R32 PolarHBondContact O-NE 2.9Å; L27-R32 PolarHBondContact O-NH2 2.86Å; T28-R32 PolarHBondContact O-N 2.71Å; P29-R32 PolarHBondContact O-N 3.08Å; R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.19Å; R32-I35 PolarHBondContact O-N 3.4Å; R32-E36 PolarHBondContact O-N 3.21Å
33A92.4Very high85Confident48 Ų48111.3 Ų111.340%0.39757%0.565SS.*Hα-helixtrans-65-33.3176.700000113.3P29 A30 M31 R37P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.45Å; A30-A33 PolarHBondContact O-N 2.78Å; M31-A33 PolarHBondContact O-N 3.46Å; A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 VanDerWaalsContact O-N 3.12Å; A33-R37 PolarHBondContact O-NE 2.73Å
34K91.2Very high87.2Confident131 Ų131109 Ų10957%0.5756%0.558SS**Hα-helixtrans-71.2-40.9174.7-171.2174.7-179177.80111.6A30 M31 R32 E36 R37 N38A30-K34 PolarHBondContact O-N 3.28Å; A30-K34 VanDerWaalsContact O-N 3.08Å; M31-K34 PolarHBondContact O-N 2.94Å; R32-K34 VanDerWaalsContact C-N 3.32Å; R32-K34 PolarHBondContact O-N 3.19Å; K34-E36 VanDerWaalsContact C-N 3.34Å; K34-R37 PolarHBondContact O-N 3.03Å; K34-N38 PolarHBondContact O-N 2.92Å
35I93.5Very high88.9Confident91 Ų91106.3 Ų106.347%0.46754%0.543SS..Hα-helixtrans-61.3-45175.1-69.6161.7000110.2L27 M31 R32 N38 R39L27-I35 HydrophobicContact CD1-CD1 3.64Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.3Å; M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 2.99Å; R32-I35 PolarHBondContact O-N 3.4Å; I35-N38 PolarHBondContact O-N 3.19Å; I35-R39 WeakPolarHBondContact O-CB 2.92Å; I35-R39 PolarHBondContact O-N 2.98Å
36E95.1Very high90.4Very high78 Ų78109.3 Ų109.336%0.36454%0.538SS..Hα-helixtrans-66.8-41.3-179.4-168.654.3-144.200112.3R32 K34 N38 R39 Q40R32-E36 PolarHBondContact O-N 3.21Å; K34-E36 VanDerWaalsContact C-N 3.34Å; E36-N38 PolarHBondContact O-N 3.29Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.39Å; E36-Q40 WeakPolarHBondContact O-CG 3.2Å; E36-Q40 PolarHBondContact O-N 2.8Å
37R94Very high91.2Very high157 Ų157109.4 Ų109.459%0.59254%0.535SS*.Hα-helixtrans-60.5-42.9172.6-85.8-176.8-77.1144.3-10.3112.8A33 K34 R39 Q40 R41A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 VanDerWaalsContact O-N 3.12Å; A33-R37 PolarHBondContact O-NE 2.73Å; K34-R37 PolarHBondContact O-N 3.03Å; R37-R39 VanDerWaalsContact C-N 3.33Å; R37-Q40 PolarHBondContact O-N 3.05Å; R37-R41 WeakPolarHBondContact O-CB 3.1Å; R37-R41 PolarHBondContact O-N 3.31Å
38N93.8Very high91.4Very high101 Ų101108.6 Ų108.654%0.5454%0.539SS..Hα-helixtrans-64.8-39.5176.6-81.2-1.1000111.6K34 I35 E36 R41 A42K34-N38 PolarHBondContact O-N 2.92Å; I35-N38 PolarHBondContact O-N 3.19Å; E36-N38 PolarHBondContact O-N 3.29Å; N38-R41 PolarHBondContact O-N 3.5Å; N38-A42 WeakPolarHBondContact O-CB 3.43Å; N38-A42 PolarHBondContact O-N 2.86Å
39R96.2Very high91Very high159 Ų159113.9 Ų113.960%0.655%0.55SS**Hα-helixtrans-60.8-48.5175.1-175.6-175.6-177.81641.6111.6I35 E36 R37 R41 A42 L43I35-R39 WeakPolarHBondContact O-CB 2.92Å; I35-R39 PolarHBondContact O-N 2.98Å; E36-R39 WeakPolarHBondContact O-CB 3.31Å; E36-R39 PolarHBondContact O-N 3.39Å; R37-R39 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.46Å; R39-A42 PolarHBondContact O-N 3.32Å; R39-L43 HydrophobicContact CG-CD1 4.4Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.12Å
40Q96Very high90.4Very high106 Ų106113.4 Ų113.450%0.49554%0.541SS..Hα-helixtrans-61.2-43.8178.3-71.4173.51.100112E36 R37 A42 L43 M44E36-Q40 WeakPolarHBondContact O-CG 3.2Å; E36-Q40 PolarHBondContact O-N 2.8Å; R37-Q40 PolarHBondContact O-N 3.05Å; Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 2.94Å; Q40-L43 PolarHBondContact O-N 3.12Å; Q40-M44 PolarHBondContact O-N 3.36Å
41R93.4Very high89.8Confident181 Ų181114.1 Ų114.168%0.68355%0.548SS*.Hα-helixtrans-61.7-40.7176.5-169.9175.9-176.31731.8112.2R37 N38 R39 L45R37-R41 WeakPolarHBondContact O-CB 3.1Å; R37-R41 PolarHBondContact O-N 3.31Å; N38-R41 PolarHBondContact O-N 3.5Å; R39-R41 PolarHBondContact O-N 3.46Å; R41-L45 HydrophobicContact CG-CD1 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-L45 VanDerWaalsContact O-N 3.08Å
42A92.4Very high89.1Confident59 Ų59113.8 Ų113.849%0.48856%0.555SS.*Hα-helixtrans-66.5-39.4177.200000112.4N38 R39 Q40 L45 R46N38-A42 WeakPolarHBondContact O-CB 3.43Å; N38-A42 PolarHBondContact O-N 2.86Å; R39-A42 PolarHBondContact O-N 3.32Å; Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 2.94Å; A42-L45 PolarHBondContact O-N 3.49Å; A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.42Å
43L94.4Very high88Confident86 Ų86115.7 Ų115.745%0.4556%0.562SS.*Hα-helixtrans-64.7-44.4175.7-72.3172.8000112.1R39 Q40 L45 R46 Q47R39-L43 HydrophobicContact CG-CD1 4.4Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.12Å; Q40-L43 PolarHBondContact O-N 3.12Å; L43-L45 PolarHBondContact O-N 3.49Å; L43-R46 PolarHBondContact O-N 3.41Å; L43-Q47 PolarHBondContact O-N 3.21Å
44M90.4Very high86.3Confident135 Ų135119.3 Ų119.367%0.66558%0.581SS**Hα-helixtrans-57.9-47174.7-80.9-96.4-80.500111.8Q40 R46 Q47 A48Q40-M44 PolarHBondContact O-N 3.36Å; M44-R46 VanDerWaalsContact C-N 3.29Å; M44-R46 PolarHBondContact O-N 3.08Å; M44-Q47 PolarHBondContact O-N 3.28Å; M44-A48 WeakPolarHBondContact O-CB 3.33Å; M44-A48 PolarHBondContact O-N 2.99Å
45L89.1Confident84.6Confident94 Ų94118.7 Ų118.749%0.49259%0.593SS.*Hα-helixtrans-62.8-36176.6-73.8168.5000112.3R41 A42 L43 R49R41-L45 HydrophobicContact CG-CD1 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-L45 VanDerWaalsContact O-N 3.08Å; A42-L45 PolarHBondContact O-N 3.49Å; L43-L45 PolarHBondContact O-N 3.49Å; L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.49Å; L45-R49 PolarHBondContact O-N 2.93Å
46R86.3Confident82.6Confident176 Ų176119.6 Ų119.666%0.66462%0.615SS**Hα-helixtrans-69.1-42.1176.6-173177.7178-176.1-0.7111.8A42 L43 M44 R49 L50A42-R46 WeakPolarHBondContact O-CB 3.48Å; A42-R46 PolarHBondContact O-N 3.42Å; L43-R46 PolarHBondContact O-N 3.41Å; M44-R46 VanDerWaalsContact C-N 3.29Å; M44-R46 PolarHBondContact O-N 3.08Å; R46-R49 PolarHBondContact O-N 3.49Å; R46-L50 WeakPolarHBondContact O-CG 3.4Å; R46-L50 PolarHBondContact O-N 2.94Å
47Q90.3Very high80Confident132 Ų132118.9 Ų118.962%0.61763%0.628SS**Hα-helixtrans-64.2-44.5175.2-74.7-179.23.200111.4L43 M44 R49 L50 A51L43-Q47 PolarHBondContact O-N 3.21Å; M44-Q47 PolarHBondContact O-N 3.28Å; Q47-R49 VanDerWaalsContact C-N 3.32Å; Q47-R49 PolarHBondContact O-N 2.87Å; Q47-L50 PolarHBondContact O-N 2.95Å; Q47-L50 VanDerWaalsContact O-N 3.09Å; Q47-A51 PolarHBondContact O-N 3.45Å
48A86.4Confident77.5Confident57 Ų57120.9 Ų120.947%0.47164%0.644SS.*Hα-helixtrans-58.5-43.4176.100000111.8M44 L50 A51 S52M44-A48 WeakPolarHBondContact O-CB 3.33Å; M44-A48 PolarHBondContact O-N 2.99Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.03Å; A48-A51 PolarHBondContact O-N 3.02Å; A48-S52 WeakPolarHBondContact O-CB 3.45Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 3.26Å
49R80.2Confident74.9Confident183 Ų183120.3 Ų120.369%0.69166%0.662SS**Hα-helixtrans-64.1-34.1174.9-75175.7-178.1-178.50.4113.4L45 R46 Q47 S52 R53L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.49Å; L45-R49 PolarHBondContact O-N 2.93Å; R46-R49 PolarHBondContact O-N 3.49Å; Q47-R49 VanDerWaalsContact C-N 3.32Å; Q47-R49 PolarHBondContact O-N 2.87Å; R49-S52 PolarHBondContact O-OG 3Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.28Å
50L76.1Confident72Confident101 Ų101116.6 Ų116.653%0.52967%0.673SS.*Hα-helixtrans-73.3-37.7176.3-72.9171.5000111.6R46 Q47 A48 R53R46-L50 WeakPolarHBondContact O-CG 3.4Å; R46-L50 PolarHBondContact O-N 2.94Å; Q47-L50 PolarHBondContact O-N 2.95Å; Q47-L50 VanDerWaalsContact O-N 3.09Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.03Å; L50-R53 PolarHBondContact O-N 3.48Å
51A76.6Confident69.3Low88 Ų88115.3 Ų115.373%0.72769%0.688SS**Hα-helixtrans-70.3-32.1175.600000112.7Q47 A48 R53Q47-A51 PolarHBondContact O-N 3.45Å; A48-A51 PolarHBondContact O-N 3.02Å; A51-R53 VanDerWaalsContact C-N 3.31Å
52S71.7Confident66.5Low90 Ų90113.7 Ų113.763%0.62970%0.698SS**THydrogen-bonded Turntrans-86.75.1178.773.90000113.8A48 R49 P54A48-S52 WeakPolarHBondContact O-CB 3.45Å; A48-S52 PolarHBondContact O-N 2.86Å; A48-S52 PolarHBondContact O-OG 3.26Å; R49-S52 PolarHBondContact O-OG 3Å; S52-P54 WeakPolarHBondContact O-CD 3.48Å
53R69.3Low64.1Low177 Ų177116.9 Ų116.967%0.66872%0.717SS**SBendtrans-78.8123.2170.8-82.3177.479.7-179.54.4108.2R49 L50 A51 S55R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.28Å; L50-R53 PolarHBondContact O-N 3.48Å; A51-R53 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.43Å
54P56.6Low61.5Low123 Ų123117.1 Ų117.180%0.79973%0.732SS**  trans-61.6123.1168.325.3-30.2000107.9S52 A56S52-P54 WeakPolarHBondContact O-CD 3.48Å; P54-A56 PolarHBondContact O-N 3.44Å; P54-A56 VanDerWaalsContact O-N 3.09Å
55S55.8Low59.2Low118 Ų118120.6 Ų120.683%0.82574%0.743SS**  trans-60.7111.5177-65.50000109.4R53 G57R53-S55 PolarHBondContact O-N 3.43Å; S55-G57 PolarHBondContact O-N 2.91Å
56A50.3Low56.9Low111 Ų111122.7 Ų122.792%0.91776%0.76SS**  trans-80.1105.8160.700000107.3P54P54-A56 PolarHBondContact O-N 3.44Å; P54-A56 VanDerWaalsContact O-N 3.09Å
57G41.5Very low55.2Low62 Ų62117.1 Ų117.164%0.63975%0.751SS**  trans162.9101.2176.300000113.6S55S55-G57 PolarHBondContact O-N 2.91Å
58E40.8Very low53.6Low200 Ų200119 Ų11994%0.93576%0.757SS**  trans7.2127.8157-73.1161.5118.700121
59G40Very low52.3Low88 Ų88120.3 Ų120.391%0.90776%0.755SS**  80.1105.2126.900000118.6
60G33.8Very low51.3Low82 Ų82115.3 Ų115.385%0.84575%0.745SS**  trans15886.4160.600000113.6
61G40.5Very low50.3Low78 Ų78115.1 Ų115.180%0.80474%0.744SS**  trans-68.8152.5-178.100000114.7
62T34.3Very low49.7Very low147 Ų147115 Ų11590%0.90274%0.738SS**  trans-130.7135.1145.847.90000109.1
63S41.8Very low49Very low127 Ų127114 Ų11489%0.88874%0.742SS**  trans-71129.4-162.4-173.30000113.2
64A40.1Very low48.8Very low91 Ų91108.7 Ų108.775%0.75274%0.743SS**  trans-147.896.8155.500000109.6
65K42.7Very low49.1Very low208 Ų208106.1 Ų106.190%0.90474%0.739SS**  trans38.892.1158.4-59.8179.7-177.6178.90116.3A67K65-A67 PolarHBondContact O-N 3.23Å
66V39.8Very low48.7Very low138 Ų138108.4 Ų108.484%0.83673%0.734SS**  trans-76.7109.2172.4176.30000109.5
67A51.2Low48.7Very low58 Ų58109.4 Ų109.448%0.47972%0.718SS.*  trans-65.4140.4154.300000108.1K65 I69K65-A67 PolarHBondContact O-N 3.23Å; A67-I69 PolarHBondContact O-N 2.89Å; A67-I69 VanDerWaalsContact O-N 3.12Å
68K55.7Low49.3Very low172 Ų172112 Ų11275%0.74872%0.716SS**  trans-70.9110.6-178.4-71.6176.3-178.4171.70108.6
69I59Low49.6Very low84 Ų84107.8 Ų107.843%0.43170%0.7SS.*EExtended strand (participates in β ladder)trans-98.7125.7175.7-86.8159.8000107.6A67 F77 D79A67-I69 PolarHBondContact O-N 2.89Å; A67-I69 VanDerWaalsContact O-N 3.12Å; I69-F77 HydrophobicContact CG2-CB 3.65Å; I69-F77 HydrophobicContact CG2-CD1 3.11Å; I69-F77 HydrophobicContact CG2-CE1 3.85Å; I69-F77 HydrophobicContact CG2-CG 3.54Å; I69-D79 WeakPolarHBondContact CG1-OD1 3.47Å
70V59.8Low50.1Low79 Ų79109.6 Ų109.648%0.47968%0.684SS.*EExtended strand (participates in β ladder)trans-98.6125.8173.6178.90000109.1E80V70-E80 HydrophobicContact CG2-CG 4.38Å; V70-E80 VanDerWaalsContact CG2-OE1 3.27Å; V70-E80 WeakPolarHBondContact CG2-OE1 3.26Å
71D54.3Low50.5Low96 Ų96114.7 Ų114.751%0.51369%0.686SS.*EExtended strand (participates in β ladder)trans-88.4118.6179.7-173.1-2.3000110.3G73 F77D71-G73 PolarHBondContact O-N 3.44Å; D71-G73 PolarHBondContact OD1-N 3.05Å; D71-F77 HydrophobicContact CB-CD1 4.31Å; D71-F77 HydrophobicContact CB-CE1 3.98Å
72S63.8Low50.6Low85 Ų85120 Ų12059%0.59469%0.69SS**  trans-80.63.8176.958.20000113.4G74 F76S72-G74 PolarHBondContact O-N 3.29Å; S72-F76 PolarHBondContact OG-O 3.02Å
73G58.1Low50.9Low70 Ų70122.3 Ų122.372%0.72269%0.691SS**SBendtrans74.38.4176.400000114.6D71D71-G73 PolarHBondContact O-N 3.44Å; D71-G73 PolarHBondContact OD1-N 3.05Å
74G65.7Low50.8Low66 Ų66119 Ų11968%0.6868%0.677SS**SBendtrans-112.97-179.100000115.4S72S72-G74 PolarHBondContact O-N 3.29Å
75G61.4Low50.6Low69 Ų69124 Ų12471%0.71169%0.685SS**SBendtrans84.414.5177.600000116
76F48.3Very low50.4Low166 Ų166123 Ų12373%0.72868%0.683SS**  trans-125134.7169-98.5-95.4000110.1S72S72-F76 PolarHBondContact OG-O 3.02Å
77F49.4Very low50.4Low132 Ų132123.4 Ų123.458%0.57968%0.676SS**EExtended strand (participates in β ladder)trans-94.7131.1173.8-63.6-63.7000109.4I69 D71I69-F77 HydrophobicContact CG2-CB 3.65Å; I69-F77 HydrophobicContact CG2-CD1 3.11Å; I69-F77 HydrophobicContact CG2-CE1 3.85Å; I69-F77 HydrophobicContact CG2-CG 3.54Å; D71-F77 HydrophobicContact CB-CD1 4.31Å; D71-F77 HydrophobicContact CB-CE1 3.98Å
78I55.3Low50.1Low117 Ų117129.6 Ų129.660%0.670%0.695SS**EExtended strand (participates in β ladder)trans-108129.4175.5-57.4171.1000106.8
79D46.5Very low49.6Very low110 Ų110130.4 Ų130.459%0.58869%0.694SS**EExtended strand (participates in β ladder)trans-81.8126.5176.3-74.4-31.5000110I69 E81I69-D79 WeakPolarHBondContact CG1-OD1 3.47Å; D79-E81 PolarHBondContact O-N 3.38Å; D79-E81 VanDerWaalsContact O-N 3.09Å
80E51.2Low49Very low126 Ų126132.8 Ų132.859%0.58971%0.712SS**THydrogen-bonded Turntrans-73.111.5-173.4-95.7-175.9165.200115.5V70V70-E80 HydrophobicContact CG2-CG 4.38Å; V70-E80 VanDerWaalsContact CG2-OE1 3.27Å; V70-E80 WeakPolarHBondContact CG2-OE1 3.26Å
81E42.2Very low48.6Very low189 Ų189137.4 Ų137.488%0.88373%0.726SS**THydrogen-bonded Turntrans-100.517.9-174.4-72.9-171.4177.800115.6D79D79-E81 PolarHBondContact O-N 3.38Å; D79-E81 VanDerWaalsContact O-N 3.09Å
82E41.9Very low48.5Very low189 Ų189141.1 Ų141.188%0.88374%0.74SS**  trans-122.231174-140.7177.2-161.700113.9
83E40.5Very low48Very low196 Ų196142.4 Ų142.492%0.91674%0.744SS**  trans-106.975.4167.3-69.5-166.1176.600110.6
84G40Very low48.1Very low59 Ų59144.4 Ų144.461%0.60874%0.742SS**  trans-166.553.1-178.600000114.2
85Q35.8Very low48Very low196 Ų196149 Ų14992%0.91675%0.745SS**  trans172.9112.4141.8-93.3154.547.700110.6E87Q85-E87 PolarHBondContact O-N 3.26Å; Q85-E87 VanDerWaalsContact O-N 3.13Å
86E37.7Very low48.1Very low185 Ų185153.7 Ų153.786%0.86475%0.749SS**  trans-53.2110.5159.8-62.9170.8147.800110.1
87E40.9Very low49Very low148 Ų148151.2 Ų151.269%0.69275%0.75SS**  trans-134.794.6130.6-81.8-160.1173.600107.7Q85 R89Q85-E87 PolarHBondContact O-N 3.26Å; Q85-E87 VanDerWaalsContact O-N 3.13Å; E87-R89 PolarHBondContact O-N 3.48Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.62Å; E87-R89 PolarHBondContact OE2-NE 2.9Å
88Q44.6Very low49.7Very low187 Ų187148.7 Ų148.787%0.87475%0.753SS**  trans-60.870.5153.5-68.6175.7-8.100108.8T90Q88-T90 VanDerWaalsContact C-N 3.3Å; Q88-T90 PolarHBondContact O-N 3.17Å
89R45.3Very low50.4Low190 Ų190148.7 Ų148.772%0.71776%0.76SS**  trans-78.894.9151.2-79.4179.6175.5-159.9-5.9104.9E87 K91E87-R89 PolarHBondContact O-N 3.48Å; E87-R89 IonicContact OE2-CZ 3.87Å; E87-R89 IonicContact OE2-NE 3.62Å; E87-R89 PolarHBondContact OE2-NE 2.9Å; R89-K91 PolarHBondContact O-N 3.39Å
90T46.8Very low51Low133 Ų133149.8 Ų149.882%0.81677%0.771SS**  trans-52.589.1150.948.50000106Q88 E92Q88-T90 VanDerWaalsContact C-N 3.3Å; Q88-T90 PolarHBondContact O-N 3.17Å; T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.46Å
91K51.3Low51.8Low177 Ų177150.9 Ų150.977%0.7778%0.779SS**  trans-58106.5163.1-72.7177.8-177.7171.40102.6R89 V93R89-K91 PolarHBondContact O-N 3.39Å; K91-V93 PolarHBondContact O-N 3.08Å
92E51.8Low52.7Low174 Ų174149.6 Ų149.681%0.81377%0.773SS**  trans-53.4102166.6-163.9174.2-158.100104.4T90 V94T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.46Å; E92-V94 PolarHBondContact O-N 3.02Å
93V53.8Low53.7Low112 Ų112142 Ų14268%0.67974%0.743SS**  trans-69.889.4176177.10000103.2K91 H95K91-V93 PolarHBondContact O-N 3.08Å; V93-H95 PolarHBondContact O-N 3.03Å
94V60.1Low55.4Low111 Ų111139.3 Ų139.367%0.67374%0.735SS**  trans-62.691.5162.1-179.10000104E92 Q96E92-V94 PolarHBondContact O-N 3.02Å; V94-Q96 PolarHBondContact O-N 3.01Å
95H62.9Low57.3Low163 Ų163143.5 Ų143.576%0.75573%0.733SS**  trans-56.3100.3159.4-101.611.1000104.6V93 P97V93-H95 PolarHBondContact O-N 3.03Å; H95-P97 WeakPolarHBondContact O-CD 3.3Å; H95-P97 VanDerWaalsContact O-N 3.13Å
96Q63.5Low59.8Low167 Ų167137.7 Ų137.778%0.7871%0.708SS**PPolyproline II helixtrans-54.5124.2161.3-66.8-154.2-10.700105.1V94 A98V94-Q96 PolarHBondContact O-N 3.01Å; Q96-A98 PolarHBondContact O-N 3.27Å; Q96-A98 VanDerWaalsContact O-N 3.14Å
97P67.1Low62.4Low115 Ų115134 Ų13475%0.74769%0.694SS**PPolyproline II helixtrans-52.9130.1173.923.8-32.1000106H95H95-P97 WeakPolarHBondContact O-CD 3.3Å; H95-P97 VanDerWaalsContact O-N 3.13Å
98A63.7Low64.9Low79 Ų79127 Ų12765%0.65366%0.661SS**PPolyproline II helixtrans-46.7134.4178.700000108.2Q96 V100Q96-A98 PolarHBondContact O-N 3.27Å; Q96-A98 VanDerWaalsContact O-N 3.14Å; A98-V100 PolarHBondContact O-N 2.98Å
99P70.7Confident67.2Low116 Ų116123.3 Ų123.375%0.75365%0.647SS**PPolyproline II helixtrans-47.8119.5173.9-2633.2000107.9I101P99-I101 PolarHBondContact O-N 3.49Å
100V60.2Low69.3Low134 Ų134117.6 Ų117.681%0.81263%0.631SS**  trans-67.893.5174.7-178.40000104.6A98 E102A98-V100 PolarHBondContact O-N 2.98Å; V100-E102 PolarHBondContact O-N 3.39Å
101I66.1Low71.6Confident149 Ų149113.2 Ų113.276%0.76461%0.605SS**  trans-61.5108.6166.5-57.7170.8000103P99 A103P99-I101 PolarHBondContact O-N 3.49Å; I101-A103 VanDerWaalsContact C-N 3.25Å; I101-A103 PolarHBondContact O-N 2.8Å
102E62.2Low73.5Confident162 Ų162110.7 Ų110.776%0.75760%0.6SS**  trans-55.1102.2166.6-71.7177-17900105.2V100 D104V100-E102 PolarHBondContact O-N 3.39Å; E102-D104 PolarHBondContact O-N 3.05Å
103A62.9Low75.5Confident29 Ų29109.1 Ų109.124%0.2459%0.59CS.*  trans-62.5112.617300000105.4I101 Y105 M116I101-A103 VanDerWaalsContact C-N 3.25Å; I101-A103 PolarHBondContact O-N 2.8Å; A103-Y105 HydrophobicContact CB-CD2 4.14Å; A103-Y105 HydrophobicContact CB-CE2 3.63Å; A103-Y105 WeakPolarHBondContact O-CD2 3.48Å; A103-Y105 PolarHBondContact O-N 3.04Å; A103-M116 HydrophobicContact CB-CE 3.47Å; A103-M116 VanDerWaalsContact CB-CE 3.47Å; A103-M116 HydrophobicContact CB-CG 4.48Å; A103-M116 HydrophobicContact CB-SD 4Å
104D75.4Confident77.3Confident139 Ų139107.9 Ų107.974%0.74359%0.585SS**  trans-64.686.8175.8-71.9-32.6000108.3E102 L106E102-D104 PolarHBondContact O-N 3.05Å; D104-L106 PolarHBondContact O-N 3.31Å
105Y81.3Confident78.8Confident148 Ų148103.6 Ų103.658%0.5856%0.557SS**  trans-71.6113.8176.5-70.5-80.5000108.6A103 P114 F115 M116A103-Y105 HydrophobicContact CB-CD2 4.14Å; A103-Y105 HydrophobicContact CB-CE2 3.63Å; A103-Y105 WeakPolarHBondContact O-CD2 3.48Å; A103-Y105 PolarHBondContact O-N 3.04Å; Y105-P114 HydrophobicContact CD1-CB 4.44Å; Y105-F115 CarbonylContact C-O 3.53Å; Y105-M116 HydrophobicContact CD1-CG 3.52Å; Y105-M116 HydrophobicContact CD1-SD 4.44Å; Y105-M116 HydrophobicContact CE1-CG 3.34Å; Y105-M116 HydrophobicContact CE1-SD 3.68Å; Y105-M116 HydrophobicContact CG-CG 4.44Å
106L86.5Confident80Confident73 Ų73100.2 Ų100.238%0.38254%0.543SS..EExtended strand (participates in β ladder)trans-81.6144.3171.9-61.2176.8000109.9D104 P114 F115D104-L106 PolarHBondContact O-N 3.31Å; L106-P114 CarbonylContact O-C 3.52Å; L106-P114 VanDerWaalsContact O-CA 3.3Å; L106-P114 WeakPolarHBondContact O-CA 3.32Å; L106-F115 HydrophobicContact CB-CD1 4.32Å; L106-F115 HydrophobicContact CB-CE1 3.78Å; L106-F115 HydrophobicContact CB-CE2 4.21Å; L106-F115 HydrophobicContact CB-CZ 3.72Å; L106-F115 HydrophobicContact CD1-CE2 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.13Å; L106-F115 PolarHBondContact N-O 2.95Å; L106-F115 VanDerWaalsContact O-CD1 3.26Å; L106-F115 WeakPolarHBondContact O-CD1 3.42Å; L106-F115 PolarHBondContact O-N 3.06Å; L106-F115 VanDerWaalsContact O-O 3.1Å
107L92.7Very high81.2Confident109 Ų10997.7 Ų97.757%0.57154%0.535SS*.EExtended strand (participates in β ladder)trans-91.1133.6172.1-62.4177.5000109.5P114L107-P114 HydrophobicContact CD2-CB 4.15Å
108C94.6Very high82.4Confident0 Ų092.3 Ų92.30%050%0.5CS..PPolyproline II helixtrans-75.7121.9-179.8177.70000112D110 C111 D112 K113 F115 A127 C129C108-D110 PolarHBondContact O-N 3.46Å; C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.16Å; C108-D112 VanDerWaalsContact O-CA 3.29Å; C108-D112 WeakPolarHBondContact O-CA 3.42Å; C108-D112 PolarHBondContact O-N 3.33Å; C108-K113 PolarHBondContact N-O 3.38Å; C108-F115 HydrophobicContact CB-CD1 3.84Å; C108-F115 HydrophobicContact CB-CE1 3.91Å; C108-A127 CarbonylContact C-O 3.59Å; C108-A127 VanDerWaalsContact CA-O 3.31Å; C108-A127 WeakPolarHBondContact CA-O 3.3Å; C108-C129 HydrophobicContact CB-CB 4.12Å; C108-C129 PolarHBondContact SG-N 3.2Å
109D91.3Very high83.8Confident109 Ų10992 Ų9258%0.58348%0.483SS*.THydrogen-bonded Turntrans-57.3-27.6-178.6-66.8-27.3000114.4A127 V128D109-A127 PolarHBondContact N-O 3.45Å; D109-V128 HydrophobicContact CB-CG2 4.37Å
110D91.4Very high84.9Confident70 Ų7086.5 Ų86.537%0.37445%0.447SS..THydrogen-bonded Turntrans-92.1-23.4-179.3-81-38.9000114.6C108 C132 K138 H139C108-D110 PolarHBondContact O-N 3.46Å; D110-C132 HydrophobicContact CB-CB 3.79Å; D110-K138 IonicContact OD1-NZ 2.77Å; D110-K138 PolarHBondContact OD1-NZ 3.18Å; D110-K138 IonicContact OD2-NZ 2.82Å; D110-H139 IonicContact OD2-CE1 3.36Å
111C93.3Very high86.4Confident41 Ų4180.6 Ų80.628%0.27741%0.411SS..THydrogen-bonded Turntrans-1391.9-172.973.50000115.5C108 K113 C132C108-C111 PolarHBondContact O-N 2.98Å; C108-C111 VanDerWaalsContact O-N 3.16Å; C111-K113 PolarHBondContact O-N 2.9Å; C111-C132 VanDerWaalsContact SG-SG 3.61Å
112D92.5Very high87.7Confident125 Ų12578.2 Ų78.267%0.66840%0.4SS*.  trans54.713.4179.2-55.9-47.5000115.4C108C108-D112 VanDerWaalsContact O-CA 3.29Å; C108-D112 WeakPolarHBondContact O-CA 3.42Å; C108-D112 PolarHBondContact O-N 3.33Å
113K92.6Very high89.1Confident140 Ų14071.2 Ų71.261%0.60937%0.372SS*.  trans-79.6138.4176.7-68.1177.1-175.1-179.40110.1C108 C111 F115C108-K113 PolarHBondContact N-O 3.38Å; C111-K113 PolarHBondContact O-N 2.9Å; K113-F115 PolarHBondContact O-N 3.42Å
114P92.5Very high90.5Very high87 Ų8769.9 Ų69.957%0.56536%0.361SS*.EExtended strand (participates in β ladder)trans-67132.4171.628.3-33000109.8Y105 L106 L107Y105-P114 HydrophobicContact CD1-CB 4.44Å; L106-P114 CarbonylContact O-C 3.52Å; L106-P114 VanDerWaalsContact O-CA 3.3Å; L106-P114 WeakPolarHBondContact O-CA 3.32Å; L107-P114 HydrophobicContact CD2-CB 4.15Å
115F92.4Very high91.3Very high21 Ų2168.1 Ų68.19%0.09235%0.351CS..EExtended strand (participates in β ladder)trans-136.8155.9171.573.3-81000108.6Y105 L106 C108 K113 S118 A127 C129Y105-F115 CarbonylContact C-O 3.53Å; L106-F115 HydrophobicContact CB-CD1 4.32Å; L106-F115 HydrophobicContact CB-CE1 3.78Å; L106-F115 HydrophobicContact CB-CE2 4.21Å; L106-F115 HydrophobicContact CB-CZ 3.72Å; L106-F115 HydrophobicContact CD1-CE2 4.24Å; L106-F115 HydrophobicContact CD1-CZ 4.13Å; L106-F115 PolarHBondContact N-O 2.95Å; L106-F115 VanDerWaalsContact O-CD1 3.26Å; L106-F115 WeakPolarHBondContact O-CD1 3.42Å; L106-F115 PolarHBondContact O-N 3.06Å; L106-F115 VanDerWaalsContact O-O 3.1Å; C108-F115 HydrophobicContact CB-CD1 3.84Å; C108-F115 HydrophobicContact CB-CE1 3.91Å; K113-F115 PolarHBondContact O-N 3.42Å; F115-S118 WeakPolarHBondContact CE2-OG 3.49Å; F115-A127 HydrophobicContact CZ-CB 4.43Å; F115-C129 HydrophobicContact CB-CB 4.15Å; F115-C129 HydrophobicContact CD1-CB 4.04Å; F115-C129 HydrophobicContact CG-CB 3.97Å
116M87.6Confident91.8Very high91 Ų9162.3 Ų62.345%0.44833%0.33SS..SBendtrans-91.4-70177.1-66178.660.300109.1A103 Y105A103-M116 HydrophobicContact CB-CE 3.47Å; A103-M116 VanDerWaalsContact CB-CE 3.47Å; A103-M116 HydrophobicContact CB-CG 4.48Å; A103-M116 HydrophobicContact CB-SD 4Å; Y105-M116 HydrophobicContact CD1-CG 3.52Å; Y105-M116 HydrophobicContact CD1-SD 4.44Å; Y105-M116 HydrophobicContact CE1-CG 3.34Å; Y105-M116 HydrophobicContact CE1-SD 3.68Å; Y105-M116 HydrophobicContact CG-CG 4.44Å
117D88.2Confident92.1Very high114 Ų11460.1 Ų60.161%0.6132%0.322SS*.  trans-116.5146.9-178.1-64.8-23.2000110.6
118S92.4Very high92.1Very high3 Ų355.1 Ų55.12%0.02130%0.296CS..  trans-143.7163.8168.873.40000110.2F115 L120 S121 N122 V128F115-S118 WeakPolarHBondContact CE2-OG 3.49Å; S118-L120 PolarHBondContact O-N 3.16Å; S118-S121 WeakPolarHBondContact CA-OG 3.45Å; S118-S121 PolarHBondContact N-OG 3.44Å; S118-S121 PolarHBondContact O-N 2.9Å; S118-S121 PolarHBondContact O-OG 2.92Å; S118-S121 WeakPolarHBondContact OG-CB 3.35Å; S118-S121 PolarHBondContact OG-N 2.91Å; S118-S121 PolarHBondContact OG-OG 3.27Å; S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.45Å; S118-N122 PolarHBondContact O-ND2 3.13Å; S118-V128 WeakPolarHBondContact CB-O 3.44Å; S118-V128 PolarHBondContact OG-O 3.04Å
119Y93Very high92.1Very high73 Ų7355.7 Ų55.729%0.28630%0.3SS..Hα-helixtrans-57.9-39.4175.9176.9-95.2000112.3G123 F124 D130 R133 L141Y119-G123 PolarHBondContact O-N 2.89Å; Y119-F124 AromaticContact CE1-CE2 3.96Å; Y119-F124 HydrophobicContact CE1-CE2 3.96Å; Y119-D130 WeakPolarHBondContact CB-OD1 3.43Å; Y119-D130 PolarHBondContact N-OD1 3.09Å; Y119-R133 VanDerWaalsContact CE1-CZ 3.47Å; Y119-R133 VanDerWaalsContact CE1-NH2 3.26Å; Y119-L141 HydrophobicContact CE1-CD1 4.37Å
120L93.8Very high92.2Very high0 Ų054.6 Ų54.60%029%0.294CS..Hα-helixtrans-78.3-35.5-176-67.2175.5000112.7S118 F124 D125 L126 V128 R133 H139 L185S118-L120 PolarHBondContact O-N 3.16Å; L120-F124 HydrophobicContact CD2-CD2 4.03Å; L120-F124 HydrophobicContact CD2-CE2 4.49Å; L120-F124 CarbonylContact O-C 3.58Å; L120-F124 WeakPolarHBondContact O-CA 3.38Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.31Å; L120-D125 PolarHBondContact O-N 3.36Å; L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CB-CB 4.23Å; L120-L126 HydrophobicContact CB-CD2 4.35Å; L120-L126 HydrophobicContact CD1-CD2 4.05Å; L120-L126 PolarHBondContact O-N 3.06Å; L120-V128 HydrophobicContact CD1-CB 3.98Å; L120-V128 HydrophobicContact CD1-CG1 4.08Å; L120-R133 HydrophobicContact CD1-CB 4.23Å; L120-R133 HydrophobicContact CD1-CG 3.96Å; L120-R133 HydrophobicContact CG-CG 4.33Å; L120-H139 HydrophobicContact CD1-CB 3.94Å; L120-H139 VanDerWaalsContact CD1-CD2 3.46Å; L120-H139 WeakPolarHBondContact CD1-CD2 3.4Å; L120-H139 HydrophobicContact CD2-CB 4.15Å; L120-L185 HydrophobicContact CD2-CD1 4.27Å
121S92.8Very high92.2Very high10 Ų1058.8 Ų58.87%0.0732%0.317CS..Hα-helixtrans-67.6-49.5174.652.70000110.7S118 G123 D125 L126S118-S121 WeakPolarHBondContact CA-OG 3.45Å; S118-S121 PolarHBondContact N-OG 3.44Å; S118-S121 PolarHBondContact O-N 2.9Å; S118-S121 PolarHBondContact O-OG 2.92Å; S118-S121 WeakPolarHBondContact OG-CB 3.35Å; S118-S121 PolarHBondContact OG-N 2.91Å; S118-S121 PolarHBondContact OG-OG 3.27Å; S121-G123 PolarHBondContact O-N 3.42Å; S121-D125 VanDerWaalsContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CA 3.48Å; S121-D125 PolarHBondContact O-N 2.91Å; S121-L126 WeakPolarHBondContact CA-O 3.37Å; S121-L126 PolarHBondContact N-O 3.23Å; S121-L126 VanDerWaalsContact N-O 3.09Å
122N91.5Very high92.2Very high98 Ų9858.4 Ų58.452%0.52431%0.314SS..Hα-helixtrans-65.6-41.2-179.7-72.6-20.8000113.1S118S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.45Å; S118-N122 PolarHBondContact O-ND2 3.13Å
123G91.8Very high92.2Very high16 Ų1655.8 Ų55.817%0.16530%0.295CS..Hα-helixtrans-84-36.1-175.200000114.3Y119 S121 R166Y119-G123 PolarHBondContact O-N 2.89Å; S121-G123 PolarHBondContact O-N 3.42Å; G123-R166 WeakPolarHBondContact O-CB 3.47Å
124F93.6Very high92.2Very high1 Ų151.8 Ų51.80%0.00428%0.28CS..Hα-helixtrans-132.63.6-165.9-59-79.2000114.2Y119 L120 L126 L141 V168 L185 Q188Y119-F124 AromaticContact CE1-CE2 3.96Å; Y119-F124 HydrophobicContact CE1-CE2 3.96Å; L120-F124 HydrophobicContact CD2-CD2 4.03Å; L120-F124 HydrophobicContact CD2-CE2 4.49Å; L120-F124 CarbonylContact O-C 3.58Å; L120-F124 WeakPolarHBondContact O-CA 3.38Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.31Å; F124-L126 PolarHBondContact O-N 3.21Å; F124-L141 HydrophobicContact CE1-CD2 4.18Å; F124-L141 HydrophobicContact CE2-CD2 3.66Å; F124-L141 HydrophobicContact CZ-CD1 4.47Å; F124-L141 HydrophobicContact CZ-CD2 3.39Å; F124-V168 HydrophobicContact CE1-CG2 4.35Å; F124-V168 HydrophobicContact CE2-CG2 3.7Å; F124-V168 HydrophobicContact CZ-CB 4.2Å; F124-V168 HydrophobicContact CZ-CG2 3.53Å; F124-L185 HydrophobicContact CB-CD2 4.44Å; F124-L185 HydrophobicContact CD1-CB 3.86Å; F124-L185 HydrophobicContact CE1-CB 4.18Å; F124-L185 HydrophobicContact CG-CB 4.17Å; F124-Q188 PolarHBondContact O-NE2 3.01Å
125D90.8Very high92Very high102 Ų10251.8 Ų51.855%0.54528%0.275SS..  trans55.734.3-173.7-58.2-22.9000112.9L120 S121 R166L120-D125 PolarHBondContact O-N 3.36Å; S121-D125 VanDerWaalsContact O-CA 3.3Å; S121-D125 WeakPolarHBondContact O-CA 3.48Å; S121-D125 PolarHBondContact O-N 2.91Å; D125-R166 VanDerWaalsContact CG-NH2 3.31Å; D125-R166 IonicContact OD1-CZ 2.76Å; D125-R166 IonicContact OD1-NE 3.51Å; D125-R166 PolarHBondContact OD1-NE 3.01Å; D125-R166 VanDerWaalsContact OD1-NE 3.14Å; D125-R166 IonicContact OD1-NH1 4Å; D125-R166 PolarHBondContact OD1-NH1 3.15Å; D125-R166 IonicContact OD1-NH2 2.81Å; D125-R166 PolarHBondContact OD1-NH2 2.9Å; D125-R166 IonicContact OD2-CZ 3.32Å; D125-R166 IonicContact OD2-NE 2.71Å; D125-R166 PolarHBondContact OD2-NE 2.91Å; D125-R166 IonicContact OD2-NH2 3.13Å; D125-R166 PolarHBondContact OD2-NH2 3.44Å
126L92.3Very high91.8Very high26 Ų2658.7 Ų58.714%0.13631%0.308CS..  trans-104.8122.9176.8-166.890.5000110.3L120 S121 F124 V128 L185L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CB-CB 4.23Å; L120-L126 HydrophobicContact CB-CD2 4.35Å; L120-L126 HydrophobicContact CD1-CD2 4.05Å; L120-L126 PolarHBondContact O-N 3.06Å; S121-L126 WeakPolarHBondContact CA-O 3.37Å; S121-L126 PolarHBondContact N-O 3.23Å; S121-L126 VanDerWaalsContact N-O 3.09Å; F124-L126 PolarHBondContact O-N 3.21Å; L126-V128 HydrophobicContact CD2-CB 4.17Å; L126-V128 HydrophobicContact CD2-CG2 3.6Å; L126-V128 HydrophobicContact CG-CG2 4Å; L126-V128 PolarHBondContact O-N 2.98Å; L126-L185 HydrophobicContact CD1-CD2 4.39Å; L126-L185 HydrophobicContact CD2-CD2 4.07Å
127A92.9Very high91.7Very high27 Ų2759.4 Ų59.422%0.22332%0.317CS..  trans-7862.4-174.500000112.9C108 D109 F115C108-A127 CarbonylContact C-O 3.59Å; C108-A127 VanDerWaalsContact CA-O 3.31Å; C108-A127 WeakPolarHBondContact CA-O 3.3Å; D109-A127 PolarHBondContact N-O 3.45Å; F115-A127 HydrophobicContact CZ-CB 4.43Å
128V93.8Very high91.7Very high4 Ų459.1 Ų59.12%0.02431%0.311CS..  trans-126.5128.1179.8178.30000109.9D109 S118 L120 L126 C132D109-V128 HydrophobicContact CB-CG2 4.37Å; S118-V128 WeakPolarHBondContact CB-O 3.44Å; S118-V128 PolarHBondContact OG-O 3.04Å; L120-V128 HydrophobicContact CD1-CB 3.98Å; L120-V128 HydrophobicContact CD1-CG1 4.08Å; L126-V128 HydrophobicContact CD2-CB 4.17Å; L126-V128 HydrophobicContact CD2-CG2 3.6Å; L126-V128 HydrophobicContact CG-CG2 4Å; L126-V128 PolarHBondContact O-N 2.98Å; V128-C132 HydrophobicContact CG1-CB 3.75Å
129C94.1Very high91.7Very high11 Ų1159.3 Ų59.37%0.07431%0.311CS..  trans-70.4156.4177.275.20000111.9C108 F115 N131 C132 R133C108-C129 HydrophobicContact CB-CB 4.12Å; C108-C129 PolarHBondContact SG-N 3.2Å; F115-C129 HydrophobicContact CB-CB 4.15Å; F115-C129 HydrophobicContact CD1-CB 4.04Å; F115-C129 HydrophobicContact CG-CB 3.97Å; C129-N131 PolarHBondContact O-N 3.34Å; C129-N131 VanDerWaalsContact O-N 3.14Å; C129-C132 PolarHBondContact O-N 3.48Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å; C129-R133 PolarHBondContact O-N 3.44Å
130D92.8Very high91.8Very high86 Ų8660 Ų6046%0.4632%0.316SS..THydrogen-bonded Turntrans-63.8-22.6-176.9-71.1-38.2000113.8Y119 R133Y119-D130 WeakPolarHBondContact CB-OD1 3.43Å; Y119-D130 PolarHBondContact N-OD1 3.09Å; D130-R133 WeakPolarHBondContact O-CB 3.42Å; D130-R133 PolarHBondContact O-N 3.21Å
131N92.3Very high91.9Very high159 Ų15961.9 Ų61.985%0.8533%0.326SS*.THydrogen-bonded Turntrans-71.7-30.8175.5-65.3-38.1000112.7C129 R133C129-N131 PolarHBondContact O-N 3.34Å; C129-N131 VanDerWaalsContact O-N 3.14Å; N131-R133 VanDerWaalsContact C-N 3.34Å
132C93.1Very high92.1Very high33 Ų3361.6 Ų61.622%0.22332%0.323CS..THydrogen-bonded Turntrans-90.4-2.7177.8-68.20000112.4D110 C111 V128 C129 D134D110-C132 HydrophobicContact CB-CB 3.79Å; C111-C132 VanDerWaalsContact SG-SG 3.61Å; V128-C132 HydrophobicContact CG1-CB 3.75Å; C129-C132 PolarHBondContact O-N 3.48Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å; C132-D134 PolarHBondContact O-N 3.36Å
133R92.7Very high92.4Very high69 Ų6958 Ų5826%0.2631%0.305SS..  trans-68.9102-179.2179.7-177.5169.2-174.21.6111.4Y119 L120 C129 D130 N131 N135Y119-R133 VanDerWaalsContact CE1-CZ 3.47Å; Y119-R133 VanDerWaalsContact CE1-NH2 3.26Å; L120-R133 HydrophobicContact CD1-CB 4.23Å; L120-R133 HydrophobicContact CD1-CG 3.96Å; L120-R133 HydrophobicContact CG-CG 4.33Å; C129-R133 PolarHBondContact O-N 3.44Å; D130-R133 WeakPolarHBondContact O-CB 3.42Å; D130-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact C-N 3.34Å; R133-N135 VanDerWaalsContact CZ-OD1 3.22Å; R133-N135 PolarHBondContact NE-OD1 3.04Å; R133-N135 PolarHBondContact NH2-OD1 3.22Å
134D92.6Very high92.6Very high57 Ų5760.1 Ų60.131%0.30531%0.309SS..  trans-92.5110.8167.7179.84.5000112.6C132 E136 V137 H139C132-D134 PolarHBondContact O-N 3.36Å; D134-E136 PolarHBondContact OD1-N 3.5Å; D134-V137 PolarHBondContact OD1-N 3.43Å; D134-V137 VanDerWaalsContact OD2-CB 3.28Å; D134-V137 WeakPolarHBondContact OD2-CB 3.02Å; D134-H139 PolarHBondContact N-ND1 3.4Å; D134-H139 CarbonylContact O-C 3.57Å; D134-H139 VanDerWaalsContact O-CA 3.24Å; D134-H139 WeakPolarHBondContact O-CA 3.48Å; D134-H139 WeakPolarHBondContact O-CB 3.37Å; D134-H139 PolarHBondContact O-N 2.94Å; D134-H139 PolarHBondContact O-ND1 3.43Å
135N88.6Confident92.6Very high86 Ų8664.3 Ų64.346%0.4633%0.334SS..THydrogen-bonded Turntrans-79.3-15-179.5-68.5-59.1000114.4R133 K140R133-N135 VanDerWaalsContact CZ-OD1 3.22Å; R133-N135 PolarHBondContact NE-OD1 3.04Å; R133-N135 PolarHBondContact NH2-OD1 3.22Å; N135-K140 WeakPolarHBondContact O-CA 3.44Å
136E86.9Confident92.9Very high166 Ų16662.5 Ų62.578%0.77632%0.323SS*.THydrogen-bonded Turntrans-95.4-44.9-171.8-65.2-169.6173.300112D134D134-E136 PolarHBondContact OD1-N 3.5Å
137V87Confident93.1Very high107 Ų10761.2 Ų61.265%0.64832%0.316SS*.THydrogen-bonded Turntrans-102.7-74-173.6-1690000111.2D134D134-V137 PolarHBondContact OD1-N 3.43Å; D134-V137 VanDerWaalsContact OD2-CB 3.28Å; D134-V137 WeakPolarHBondContact OD2-CB 3.02Å
138K88.3Confident93.3Very high108 Ų10863 Ų6347%0.4732%0.319SS..THydrogen-bonded Turntrans-75.3-48.5-170.1-68.3-176178.7179.80113.3D110D110-K138 IonicContact OD1-NZ 2.77Å; D110-K138 PolarHBondContact OD1-NZ 3.18Å; D110-K138 IonicContact OD2-NZ 2.82Å
139H91.8Very high93.3Very high6 Ų669.6 Ų69.63%0.02835%0.349CS..THydrogen-bonded Turntrans-104.731.5-171.3-42100.6000112.6D110 L120 D134 L141 L185D110-H139 IonicContact OD2-CE1 3.36Å; L120-H139 HydrophobicContact CD1-CB 3.94Å; L120-H139 VanDerWaalsContact CD1-CD2 3.46Å; L120-H139 WeakPolarHBondContact CD1-CD2 3.4Å; L120-H139 HydrophobicContact CD2-CB 4.15Å; D134-H139 PolarHBondContact N-ND1 3.4Å; D134-H139 CarbonylContact O-C 3.57Å; D134-H139 VanDerWaalsContact O-CA 3.24Å; D134-H139 WeakPolarHBondContact O-CA 3.48Å; D134-H139 WeakPolarHBondContact O-CB 3.37Å; D134-H139 PolarHBondContact O-N 2.94Å; D134-H139 PolarHBondContact O-ND1 3.43Å; H139-L141 PolarHBondContact O-N 2.94Å; H139-L185 HydrophobicContact CB-CD1 3.99Å
140K95.3Very high93.4Very high88 Ų8872.9 Ų72.938%0.38337%0.366SS..  trans-61.6131.7176.3-173.5175.1179.3179.80110.4N135 K186N135-K140 WeakPolarHBondContact O-CA 3.44Å; K140-K186 HydrophobicContact CB-CB 4.44Å; K140-K186 HydrophobicContact CB-CD 4.48Å; K140-K186 WeakPolarHBondContact O-CB 3.27Å; K140-K186 PolarHBondContact O-N 3.5Å
141L95.8Very high93.5Very high40 Ų4069.9 Ų69.921%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-91.7136.8174-59.3-179000110.1Y119 F124 H139 L183 Y184 L185Y119-L141 HydrophobicContact CE1-CD1 4.37Å; F124-L141 HydrophobicContact CE1-CD2 4.18Å; F124-L141 HydrophobicContact CE2-CD2 3.66Å; F124-L141 HydrophobicContact CZ-CD1 4.47Å; F124-L141 HydrophobicContact CZ-CD2 3.39Å; H139-L141 PolarHBondContact O-N 2.94Å; L141-L183 HydrophobicContact CB-CB 4.31Å; L141-L183 HydrophobicContact CD1-CB 4.48Å; L141-L183 HydrophobicContact CD1-CD1 4.25Å; L141-Y184 CarbonylContact C-O 3.12Å; L141-Y184 WeakPolarHBondContact CA-O 3.4Å; L141-L185 HydrophobicContact CD2-CD1 3.92Å
142I96.6Very high93.7Very high3 Ų363 Ų632%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-123.4147.917757.3172.7000110.6E146 A147 Y151 L183 Y184 K186 V189I142-E146 HydrophobicContact CB-CG 4.27Å; I142-E146 HydrophobicContact CG2-CG 4.47Å; I142-A147 HydrophobicContact CD1-CB 3.91Å; I142-A147 HydrophobicContact CG1-CB 4.42Å; I142-Y151 HydrophobicContact CD1-CD2 4.38Å; I142-Y151 HydrophobicContact CD1-CE2 3.83Å; I142-L183 WeakPolarHBondContact O-CA 3.25Å; I142-Y184 PolarHBondContact N-O 3.05Å; I142-Y184 PolarHBondContact O-N 3.12Å; I142-K186 HydrophobicContact CD1-CB 4.38Å; I142-K186 HydrophobicContact CD1-CG 4.45Å; I142-K186 HydrophobicContact CG1-CB 4.42Å; I142-K186 HydrophobicContact CG2-CB 4.21Å; I142-K186 HydrophobicContact CG2-CG 4.47Å; I142-V189 HydrophobicContact CD1-CB 4Å; I142-V189 HydrophobicContact CD1-CG1 4.02Å; I142-V189 HydrophobicContact CD1-CG2 4.03Å; I142-V189 HydrophobicContact CG1-CG2 4.42Å
143S96.8Very high93.8Very high22 Ų2261.7 Ų61.715%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-72.7154.3179.767.20000111.8T145 E146 A147S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 VanDerWaalsContact O-N 3.17Å; S143-T145 PolarHBondContact OG-OG1 3.27Å; S143-T145 VanDerWaalsContact OG-OG1 3.05Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 2.9Å; S143-E146 WeakPolarHBondContact OG-CB 3.41Å; S143-E146 PolarHBondContact OG-N 3.44Å; S143-A147 PolarHBondContact O-N 2.89Å
144R95.9Very high94Very high61 Ų6165 Ų6523%0.2332%0.318CS..Hα-helixtrans-50.2-41.7173.4-171.4177.1175.5158.115.4112.8K148 D155 L158 D159 K182 Y184R144-K148 HydrophobicContact CG-CD 4.27Å; R144-K148 VanDerWaalsContact O-CG 3.25Å; R144-K148 WeakPolarHBondContact O-CG 3.5Å; R144-K148 PolarHBondContact O-N 3.08Å; R144-K148 VanDerWaalsContact O-N 3.14Å; R144-D155 IonicContact CZ-OD1 2.69Å; R144-D155 VanDerWaalsContact CZ-OD1 3.32Å; R144-D155 IonicContact NE-OD1 3.01Å; R144-D155 PolarHBondContact NE-OD1 3.34Å; R144-D155 VanDerWaalsContact NE-OD1 3.13Å; R144-D155 IonicContact NH2-OD1 3.22Å; R144-D155 PolarHBondContact NH2-OD1 2.72Å; R144-L158 HydrophobicContact CG-CD1 4.03Å; R144-D159 IonicContact CZ-OD2 3.71Å; R144-D159 IonicContact NH1-OD2 3.74Å; R144-D159 IonicContact NH2-OD1 3.29Å; R144-D159 IonicContact NH2-OD2 2.79Å; R144-D159 PolarHBondContact NH2-OD2 3.39Å; R144-K182 HydrophobicContact CB-CB 4.28Å; R144-K182 PolarHBondContact N-O 2.86Å; R144-Y184 HydrophobicContact CB-CD2 4.35Å; R144-Y184 HydrophobicContact CB-CE2 3.82Å; R144-Y184 HydrophobicContact CG-CE2 3.98Å
145T95.5Very high94.1Very high89 Ų8965.3 Ų65.355%0.54632%0.32SS..Hα-helixtrans-67-41.8179.3410000112S143 K148 Q149S143-T145 PolarHBondContact O-N 3.28Å; S143-T145 VanDerWaalsContact O-N 3.17Å; S143-T145 PolarHBondContact OG-OG1 3.27Å; S143-T145 VanDerWaalsContact OG-OG1 3.05Å; T145-K148 PolarHBondContact O-N 2.93Å; T145-Q149 WeakPolarHBondContact O-CB 3.42Å; T145-Q149 VanDerWaalsContact O-CG 3.22Å; T145-Q149 WeakPolarHBondContact O-CG 3.49Å; T145-Q149 PolarHBondContact O-N 3.43Å
146E96.3Very high94.4Very high64 Ų6463.5 Ų63.530%0.29931%0.314SS..Hα-helixtrans-66.5-44.6177.5-178.5178.8-17200111I142 S143 K148 Q149 L150I142-E146 HydrophobicContact CB-CG 4.27Å; I142-E146 HydrophobicContact CG2-CG 4.47Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 2.9Å; S143-E146 WeakPolarHBondContact OG-CB 3.41Å; S143-E146 PolarHBondContact OG-N 3.44Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.49Å; E146-Q149 PolarHBondContact O-N 3.42Å; E146-Q149 VanDerWaalsContact O-N 3.17Å; E146-L150 HydrophobicContact CG-CD1 3.53Å; E146-L150 HydrophobicContact CG-CG 4.08Å; E146-L150 WeakPolarHBondContact O-CB 3.38Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.37Å
147A96.4Very high94.8Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-55.4-47.2174.600000112.2I142 S143 Q149 Y151 V189I142-A147 HydrophobicContact CD1-CB 3.91Å; I142-A147 HydrophobicContact CG1-CB 4.42Å; S143-A147 PolarHBondContact O-N 2.89Å; A147-Q149 PolarHBondContact O-N 2.9Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 PolarHBondContact O-N 2.92Å; A147-V189 HydrophobicContact CB-CG1 3.81Å; A147-V189 HydrophobicContact CB-CG2 4.25Å
148K96.3Very high95.2Very high64 Ų6450.9 Ų50.928%0.27825%0.248SC..Hα-helixtrans-67-34.5178.3-68174.167.6171.70113.3R144 T145 E146 L152 L153 D155 L158R144-K148 HydrophobicContact CG-CD 4.27Å; R144-K148 VanDerWaalsContact O-CG 3.25Å; R144-K148 WeakPolarHBondContact O-CG 3.5Å; R144-K148 PolarHBondContact O-N 3.08Å; R144-K148 VanDerWaalsContact O-N 3.14Å; T145-K148 PolarHBondContact O-N 2.93Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 3.49Å; K148-L152 WeakPolarHBondContact O-CA 3.38Å; K148-L152 PolarHBondContact O-N 2.86Å; K148-L153 WeakPolarHBondContact CG-O 3.46Å; K148-D155 WeakPolarHBondContact CD-OD1 3.28Å; K148-D155 WeakPolarHBondContact CE-OD1 3.4Å; K148-D155 IonicContact NZ-OD1 2.86Å; K148-D155 PolarHBondContact NZ-OD1 2.93Å; K148-D155 IonicContact NZ-OD2 2.85Å; K148-D155 PolarHBondContact NZ-OD2 2.76Å; K148-L158 HydrophobicContact CG-CD1 4.05Å
149Q95.4Very high95.4Very high143 Ų14348.5 Ų48.567%0.66824%0.24SC*.Hα-helixtrans-77.4-47.4-179.7-74173.25.500111.6T145 E146 A147 L152T145-Q149 WeakPolarHBondContact O-CB 3.42Å; T145-Q149 VanDerWaalsContact O-CG 3.22Å; T145-Q149 WeakPolarHBondContact O-CG 3.49Å; T145-Q149 PolarHBondContact O-N 3.43Å; E146-Q149 PolarHBondContact O-N 3.42Å; E146-Q149 VanDerWaalsContact O-N 3.17Å; A147-Q149 PolarHBondContact O-N 2.9Å; Q149-L152 WeakPolarHBondContact O-CD2 3.47Å
150L95.1Very high95.5Very high80 Ų8055.2 Ų55.242%0.41927%0.272SS..Hα-helixtrans-76.7-34.4-176.3-65.9-178.4000113.1E146 K207E146-L150 HydrophobicContact CG-CD1 3.53Å; E146-L150 HydrophobicContact CG-CG 4.08Å; E146-L150 WeakPolarHBondContact O-CB 3.38Å; E146-L150 WeakPolarHBondContact O-CG 3.41Å; E146-L150 PolarHBondContact O-N 3.37Å; L150-K207 WeakPolarHBondContact O-CE 3.24Å; L150-K207 PolarHBondContact O-NZ 3.41Å
151Y95.7Very high95.3Very high22 Ų2256.2 Ų56.29%0.08627%0.273CS..SBendtrans-110.59.6-177.5-58.9-81.7000112.9I142 A147 L153 K186 V189 E190 W197 L203I142-Y151 HydrophobicContact CD1-CD2 4.38Å; I142-Y151 HydrophobicContact CD1-CE2 3.83Å; A147-Y151 WeakPolarHBondContact O-CB 3.41Å; A147-Y151 PolarHBondContact O-N 2.92Å; Y151-L153 PolarHBondContact O-N 3.09Å; Y151-K186 WeakPolarHBondContact OH-CE 3.32Å; Y151-V189 HydrophobicContact CD2-CG1 3.43Å; Y151-V189 VanDerWaalsContact CD2-CG1 3.43Å; Y151-V189 HydrophobicContact CE2-CG1 3.9Å; Y151-V189 HydrophobicContact CG-CG1 3.92Å; Y151-E190 HydrophobicContact CD1-CG 4.41Å; Y151-E190 HydrophobicContact CE1-CB 4.44Å; Y151-E190 HydrophobicContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CZ-CG 3.47Å; Y151-E190 WeakPolarHBondContact OH-CG 3.32Å; Y151-E190 PolarHBondContact OH-OE1 3.48Å; Y151-W197 PolarHBondContact O-NE1 3.43Å; Y151-L203 HydrophobicContact CD1-CD2 4.14Å; Y151-L203 VanDerWaalsContact O-CD1 3.27Å; Y151-L203 WeakPolarHBondContact O-CD1 3.35Å
152L95.6Very high95.1Very high14 Ų1462.8 Ų62.87%0.07330%0.303CS..  trans51.723.7179.1-51.5-176.9000114.5K148 Q149 W197 L203 A206 K207 R210K148-L152 WeakPolarHBondContact O-CA 3.38Å; K148-L152 PolarHBondContact O-N 2.86Å; Q149-L152 WeakPolarHBondContact O-CD2 3.47Å; L152-W197 HydrophobicContact CB-CZ2 3.65Å; L152-W197 HydrophobicContact CD1-CZ2 4.17Å; L152-L203 HydrophobicContact CB-CD1 4.3Å; L152-L203 HydrophobicContact CD1-CD1 4.43Å; L152-L203 HydrophobicContact CG-CD1 4.26Å; L152-A206 HydrophobicContact CD1-CB 3.81Å; L152-K207 HydrophobicContact CD1-CG 3.82Å; L152-K207 HydrophobicContact CD2-CG 4.28Å; L152-K207 HydrophobicContact CG-CG 4.13Å; L152-R210 VanDerWaalsContact CD2-NH1 3.26Å
153L95.9Very high94.8Very high6 Ų667.3 Ų67.33%0.03133%0.332CS..  trans-73.6148.2-177.8-66.7176.3000112K148 Y151 D157 L158 V189 R192 V196K148-L153 WeakPolarHBondContact CG-O 3.46Å; Y151-L153 PolarHBondContact O-N 3.09Å; L153-D157 HydrophobicContact CB-CB 4.44Å; L153-D157 HydrophobicContact CD2-CB 4.07Å; L153-L158 HydrophobicContact CD1-CD2 3.85Å; L153-V189 HydrophobicContact CD1-CG1 3.69Å; L153-R192 HydrophobicContact CD1-CG 4.25Å; L153-R192 HydrophobicContact CD2-CG 4.41Å; L153-V196 HydrophobicContact CD2-CB 4.12Å; L153-V196 HydrophobicContact CD2-CG1 4.37Å; L153-V196 HydrophobicContact CD2-CG2 3.91Å
154K96.1Very high94.6Very high138 Ų13870.2 Ų70.260%0.635%0.349SS*.  trans-94167.5172.3-60.1170.7-173.2169.70110.3C156 D157 L158K154-C156 VanDerWaalsContact C-N 3.29Å; K154-C156 PolarHBondContact O-N 3.13Å; K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.3Å; K154-D157 PolarHBondContact N-OD2 3.18Å; K154-D157 WeakPolarHBondContact O-CB 3.2Å; K154-D157 PolarHBondContact O-N 2.81Å; K154-D157 VanDerWaalsContact O-N 3.11Å; K154-L158 PolarHBondContact O-N 3.32Å
155D95.6Very high94.5Very high64 Ų6468 Ų6834%0.34234%0.341SS..Hα-helixtrans-64.7-33.6178.3-67.6-48.9000112.6R144 K148 D157 L158 D159R144-D155 IonicContact CZ-OD1 2.69Å; R144-D155 VanDerWaalsContact CZ-OD1 3.32Å; R144-D155 IonicContact NE-OD1 3.01Å; R144-D155 PolarHBondContact NE-OD1 3.34Å; R144-D155 VanDerWaalsContact NE-OD1 3.13Å; R144-D155 IonicContact NH2-OD1 3.22Å; R144-D155 PolarHBondContact NH2-OD1 2.72Å; K148-D155 WeakPolarHBondContact CD-OD1 3.28Å; K148-D155 WeakPolarHBondContact CE-OD1 3.4Å; K148-D155 IonicContact NZ-OD1 2.86Å; K148-D155 PolarHBondContact NZ-OD1 2.93Å; K148-D155 IonicContact NZ-OD2 2.85Å; K148-D155 PolarHBondContact NZ-OD2 2.76Å; D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.71Å; D155-L158 PolarHBondContact O-N 3.2Å; D155-D159 WeakPolarHBondContact O-CB 3.45Å; D155-D159 PolarHBondContact O-N 3.02Å
156C94.9Very high94.4Very high49 Ų4969.4 Ų69.433%0.33134%0.337SS..Hα-helixtrans-62.6-33.3173.255.90000112.6K154 L158 Q160 R161K154-C156 VanDerWaalsContact C-N 3.29Å; K154-C156 PolarHBondContact O-N 3.13Å; C156-L158 PolarHBondContact O-N 3.42Å; C156-Q160 WeakPolarHBondContact O-CB 3.38Å; C156-Q160 PolarHBondContact O-N 3.25Å; C156-R161 PolarHBondContact O-N 2.74Å
157D94.9Very high94.4Very high7 Ų769.8 Ų69.84%0.03734%0.338CS..Hα-helixtrans-72.2-23.2-178.9-53.8-42.5000111.9L153 K154 D155 R161 R192 V196L153-D157 HydrophobicContact CB-CB 4.44Å; L153-D157 HydrophobicContact CD2-CB 4.07Å; K154-D157 VanDerWaalsContact CB-OD2 3.31Å; K154-D157 WeakPolarHBondContact CB-OD2 3.3Å; K154-D157 PolarHBondContact N-OD2 3.18Å; K154-D157 WeakPolarHBondContact O-CB 3.2Å; K154-D157 PolarHBondContact O-N 2.81Å; K154-D157 VanDerWaalsContact O-N 3.11Å; D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.71Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 2.72Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 3.5Å; D157-R161 PolarHBondContact OD1-NH2 3.25Å; D157-R192 WeakPolarHBondContact O-CD 3.41Å; D157-R192 PolarHBondContact O-NH1 3.32Å; D157-V196 HydrophobicContact CB-CG2 4.1Å
158L94.6Very high94.3Very high0 Ų071.2 Ų71.20%035%0.346CS..Hα-helixtrans-92.2-45.9177-60.3175.9000112R144 K148 L153 K154 D155 C156 L165R144-L158 HydrophobicContact CG-CD1 4.03Å; K148-L158 HydrophobicContact CG-CD1 4.05Å; L153-L158 HydrophobicContact CD1-CD2 3.85Å; K154-L158 PolarHBondContact O-N 3.32Å; D155-L158 PolarHBondContact O-N 3.2Å; C156-L158 PolarHBondContact O-N 3.42Å; L158-L165 HydrophobicContact CD2-CD1 3.87Å
159D93.4Very high94.3Very high58 Ų5872.7 Ų72.731%0.3136%0.356SS..Hα-helixtrans-94.5-22.9-168-65.3-31.1000113.8R144 D155R144-D159 IonicContact CZ-OD2 3.71Å; R144-D159 IonicContact NH1-OD2 3.74Å; R144-D159 IonicContact NH2-OD1 3.29Å; R144-D159 IonicContact NH2-OD2 2.79Å; R144-D159 PolarHBondContact NH2-OD2 3.39Å; D155-D159 WeakPolarHBondContact O-CB 3.45Å; D155-D159 PolarHBondContact O-N 3.02Å
160Q92.9Very high94.3Very high148 Ų14873.4 Ų73.469%0.69235%0.353SS*.THydrogen-bonded Turntrans-116.7-35.7-171.2-63.2174.9400114.5C156 E162C156-Q160 WeakPolarHBondContact O-CB 3.38Å; C156-Q160 PolarHBondContact O-N 3.25Å; Q160-E162 PolarHBondContact O-N 3.48Å
161R92.3Very high94.3Very high109 Ų10975.8 Ų75.841%0.41136%0.36SS..SBendtrans-63.9132.5-179-75.9-174.3-176.7-109.24.3111.1C156 D157 P163 V164 R192C156-R161 PolarHBondContact O-N 2.74Å; D157-R161 IonicContact OD1-CZ 3.69Å; D157-R161 IonicContact OD1-NE 2.72Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 3.5Å; D157-R161 PolarHBondContact OD1-NH2 3.25Å; R161-P163 CarbonylContact O-C 3.57Å; R161-V164 WeakPolarHBondContact O-CA 3.39Å; R161-V164 PolarHBondContact O-N 3.38Å; R161-R192 PolarHBondContact O-NH1 3.11Å
162E90.3Very high94.3Very high178 Ų17876.5 Ų76.583%0.83237%0.365SS*.SBendtrans-76.9136.9175.6-64.6176.9-174.800110.8Q160Q160-E162 PolarHBondContact O-N 3.48Å
163P90.9Very high94.2Very high97 Ų9781.2 Ų81.263%0.6340%0.397SS*.SBendcis-70139.9-12.629.2-34.3000111.7R161 L165 R192R161-P163 CarbonylContact O-C 3.57Å; P163-L165 PolarHBondContact O-N 3.36Å; P163-R192 PolarHBondContact O-NH2 2.89Å
164V92.3Very high94Very high84 Ų8488.2 Ų88.251%0.50943%0.429SS..PPolyproline II helixtrans-64.1128.1179.7178.70000109.4R161 R166R161-V164 WeakPolarHBondContact O-CA 3.39Å; R161-V164 PolarHBondContact O-N 3.38Å; V164-R166 PolarHBondContact O-N 2.77Å
165L93.9Very high93.9Very high13 Ų1383.8 Ų83.87%0.06841%0.412CS..PPolyproline II helixtrans-71.1121.4-179.1-66-175.1000110.1L158 P163 Y184 Q188 V189 R192L158-L165 HydrophobicContact CD2-CD1 3.87Å; P163-L165 PolarHBondContact O-N 3.36Å; L165-Y184 HydrophobicContact CB-CD1 3.94Å; L165-Y184 HydrophobicContact CB-CE1 3.97Å; L165-Q188 HydrophobicContact CD2-CB 3.91Å; L165-V189 HydrophobicContact CD1-CG2 4.37Å; L165-R192 HydrophobicContact CD1-CB 4.03Å; L165-R192 HydrophobicContact CD1-CG 4.14Å
166R94.5Very high93.8Very high119 Ų11985 Ų8545%0.44942%0.423SS..PPolyproline II helixtrans-71.5154172.8-62-163.4-179.9-160.610.6111.1G123 D125 V164 Y184G123-R166 WeakPolarHBondContact O-CB 3.47Å; D125-R166 VanDerWaalsContact CG-NH2 3.31Å; D125-R166 IonicContact OD1-CZ 2.76Å; D125-R166 IonicContact OD1-NE 3.51Å; D125-R166 PolarHBondContact OD1-NE 3.01Å; D125-R166 VanDerWaalsContact OD1-NE 3.14Å; D125-R166 IonicContact OD1-NH1 4Å; D125-R166 PolarHBondContact OD1-NH1 3.15Å; D125-R166 IonicContact OD1-NH2 2.81Å; D125-R166 PolarHBondContact OD1-NH2 2.9Å; D125-R166 IonicContact OD2-CZ 3.32Å; D125-R166 IonicContact OD2-NE 2.71Å; D125-R166 PolarHBondContact OD2-NE 2.91Å; D125-R166 IonicContact OD2-NH2 3.13Å; D125-R166 PolarHBondContact OD2-NH2 3.44Å; V164-R166 PolarHBondContact O-N 2.77Å; R166-Y184 WeakPolarHBondContact O-CD1 3.44Å
167F95.3Very high93.7Very high73 Ų7391.1 Ų91.132%0.3245%0.447SS..  trans-143.2154.4179.558.1-94.2000111.1L169 K182 L183 Y184F167-L169 HydrophobicContact CD2-CD2 4.05Å; F167-L169 HydrophobicContact CD2-CG 4.25Å; F167-L169 HydrophobicContact CE2-CD2 3.8Å; F167-L169 HydrophobicContact CE2-CG 4.02Å; F167-K182 HydrophobicContact CB-CB 4.29Å; F167-K182 HydrophobicContact CD1-CD 4.18Å; F167-K182 HydrophobicContact CD2-CB 3.98Å; F167-K182 HydrophobicContact CD2-CD 3.85Å; F167-K182 HydrophobicContact CD2-CG 3.66Å; F167-K182 HydrophobicContact CE1-CD 4.12Å; F167-K182 HydrophobicContact CE2-CD 3.8Å; F167-K182 HydrophobicContact CE2-CG 3.85Å; F167-K182 HydrophobicContact CG-CB 4.16Å; F167-K182 HydrophobicContact CG-CD 4.06Å; F167-K182 HydrophobicContact CG-CG 4.17Å; F167-K182 HydrophobicContact CZ-CD 3.94Å; F167-K182 HydrophobicContact CZ-CG 4.5Å; F167-L183 CarbonylContact C-O 3.39Å; F167-L183 WeakPolarHBondContact CA-O 3.4Å; F167-L183 VanDerWaalsContact CB-O 3.32Å; F167-L183 WeakPolarHBondContact CB-O 3.5Å; F167-Y184 HydrophobicContact CB-CD1 3.92Å; F167-Y184 HydrophobicContact CB-CD2 4.38Å; F167-Y184 HydrophobicContact CB-CE1 3.71Å; F167-Y184 HydrophobicContact CB-CE2 4.15Å; F167-Y184 HydrophobicContact CB-CG 4.27Å; F167-Y184 AromaticContact CD1-CE1 3.9Å; F167-Y184 HydrophobicContact CD1-CE1 3.9Å; F167-Y184 AromaticContact CD1-CZ 3.87Å; F167-Y184 HydrophobicContact CG-CE1 4.23Å
168V95.3Very high93.6Very high29 Ų2997 Ų9718%0.17647%0.468CS..EExtended strand (participates in β ladder)trans-104.3136171.8177.50000109.3F124 L183F124-V168 HydrophobicContact CE1-CG2 4.35Å; F124-V168 HydrophobicContact CE2-CG2 3.7Å; F124-V168 HydrophobicContact CZ-CB 4.2Å; F124-V168 HydrophobicContact CZ-CG2 3.53Å; V168-L183 PolarHBondContact N-O 2.95Å; V168-L183 PolarHBondContact O-N 3.28Å
169L95.8Very high93.6Very high95 Ų95100 Ų10050%0.49750%0.499SS..EExtended strand (participates in β ladder)trans-86.5130.9175-66.7173.7000110.6F167 D180 M181 K182F167-L169 HydrophobicContact CD2-CD2 4.05Å; F167-L169 HydrophobicContact CD2-CG 4.25Å; F167-L169 HydrophobicContact CE2-CD2 3.8Å; F167-L169 HydrophobicContact CE2-CG 4.02Å; L169-D180 HydrophobicContact CB-CB 4.39Å; L169-D180 HydrophobicContact CD2-CB 4.22Å; L169-M181 WeakPolarHBondContact CA-O 3.31Å; L169-K182 HydrophobicContact CD2-CG 3.73Å
170R94.8Very high93.7Very high159 Ų159100.6 Ų100.660%0.650%0.502SS*.EExtended strand (participates in β ladder)trans-131.7153.7172.7-71-72.2-77.7-176.7-6.3110.4D180 M181 L183R170-D180 CarbonylContact O-C 3.57Å; R170-D180 WeakPolarHBondContact O-CA 3.35Å; R170-M181 HydrophobicContact CB-CG 3.81Å; R170-M181 HydrophobicContact CB-SD 4.11Å; R170-M181 PolarHBondContact N-O 3.34Å; R170-M181 WeakPolarHBondContact O-CG 3.5Å; R170-M181 PolarHBondContact O-N 3.13Å; R170-L183 HydrophobicContact CB-CD1 4.13Å; R170-L183 HydrophobicContact CG-CD1 3.64Å; R170-L183 HydrophobicContact CG-CG 4.49Å
171K96.1Very high93.8Very high130 Ų13095.9 Ų95.957%0.56548%0.481SS*.  trans-66.8145.1171.7-65.1-70.3165.2-156.60109.6D180K171-D180 VanDerWaalsContact CD-OD1 3.24Å; K171-D180 WeakPolarHBondContact CD-OD1 3.45Å; K171-D180 WeakPolarHBondContact CE-OD1 3.34Å; K171-D180 IonicContact NZ-OD1 3.92Å; K171-D180 PolarHBondContact NZ-OD1 3.08Å; K171-D180 IonicContact NZ-OD2 3.23Å; K171-D180 PolarHBondContact NZ-OD2 3.25Å
172N94.3Very high94Very high37 Ų3793.3 Ų93.320%0.19847%0.473CS..  trans-70124.6178.1-171.3-41.4000110H174 N175 W178N172-H174 PolarHBondContact O-N 2.93Å; N172-H174 WeakPolarHBondContact OD1-CB 3.41Å; N172-H174 PolarHBondContact OD1-N 3.43Å; N172-N175 CarbonylContact O-C 3.48Å; N172-N175 PolarHBondContact O-N 2.85Å; N172-W178 HydrophobicContact CB-CB 4.34Å
173P94.4Very high94.3Very high113 Ų11386.1 Ų86.173%0.73444%0.44SS*.SBendtrans-68.7-23.8-175.728.2-34.9000112.9M181P173-M181 HydrophobicContact CG-CE 4.04Å
174H91.4Very high94.6Very high152 Ų15281.5 Ų81.570%0.70441%0.41SS*.SBendtrans-80.2-39.6179-170.586.8000112N172 W178N172-H174 PolarHBondContact O-N 2.93Å; N172-H174 WeakPolarHBondContact OD1-CB 3.41Å; N172-H174 PolarHBondContact OD1-N 3.43Å; H174-W178 HydrophobicContact CB-CZ3 3.88Å; H174-W178 AromaticContact CD2-CH2 3.2Å; H174-W178 WeakPolarHBondContact CD2-CH2 3.29Å; H174-W178 AromaticContact CD2-CZ3 3.34Å; H174-W178 WeakPolarHBondContact CD2-CZ3 3.34Å; H174-W178 AromaticContact CG-CZ3 3.88Å; H174-W178 AromaticContact NE2-CH2 3.9Å
175N93.3Very high94.7Very high46 Ų4677.5 Ų77.525%0.24639%0.386CS..  trans-149.5111.2175-175.5-7.7000110.6N172 H177 W178N172-N175 CarbonylContact O-C 3.48Å; N172-N175 PolarHBondContact O-N 2.85Å; N175-H177 PolarHBondContact O-N 3.09Å; N175-H177 VanDerWaalsContact O-N 3.16Å; N175-H177 WeakPolarHBondContact OD1-CB 3.26Å; N175-H177 PolarHBondContact OD1-N 3.31Å; N175-W178 HydrophobicContact CB-CD2 3.47Å; N175-W178 VanDerWaalsContact CB-CD2 3.47Å; N175-W178 HydrophobicContact CB-CE3 3.68Å; N175-W178 HydrophobicContact CB-CG 3.86Å; N175-W178 HydrophobicContact CB-CH2 4.28Å; N175-W178 HydrophobicContact CB-CZ2 4.06Å; N175-W178 HydrophobicContact CB-CZ3 4.1Å; N175-W178 PolarHBondContact ND2-NE1 2.78Å; N175-W178 VanDerWaalsContact ND2-NE1 3.19Å; N175-W178 WeakPolarHBondContact O-CB 3.5Å; N175-W178 PolarHBondContact O-N 3Å
176P93.7Very high94.8Very high88 Ų8880.1 Ų80.157%0.57140%0.396SS*.THydrogen-bonded Turntrans-62.7-19.4179.7-23.934000115.1W178P176-W178 VanDerWaalsContact C-N 3.33Å
177H93.6Very high94.8Very high179 Ų17976.9 Ų76.983%0.82939%0.388SS*.THydrogen-bonded Turntrans-79.9-15.2176.1-65.8-63.9000113.3N175N175-H177 PolarHBondContact O-N 3.09Å; N175-H177 VanDerWaalsContact O-N 3.16Å; N175-H177 WeakPolarHBondContact OD1-CB 3.26Å; N175-H177 PolarHBondContact OD1-N 3.31Å
178W92.9Very high94.8Very high131 Ų13175 Ų7550%0.49638%0.38SS..SBendtrans-70.2160.6170.6-65.9-17000110.6N172 H174 N175 P176N172-W178 HydrophobicContact CB-CB 4.34Å; H174-W178 HydrophobicContact CB-CZ3 3.88Å; H174-W178 AromaticContact CD2-CH2 3.2Å; H174-W178 WeakPolarHBondContact CD2-CH2 3.29Å; H174-W178 AromaticContact CD2-CZ3 3.34Å; H174-W178 WeakPolarHBondContact CD2-CZ3 3.34Å; H174-W178 AromaticContact CG-CZ3 3.88Å; H174-W178 AromaticContact NE2-CH2 3.9Å; N175-W178 HydrophobicContact CB-CD2 3.47Å; N175-W178 VanDerWaalsContact CB-CD2 3.47Å; N175-W178 HydrophobicContact CB-CE3 3.68Å; N175-W178 HydrophobicContact CB-CG 3.86Å; N175-W178 HydrophobicContact CB-CH2 4.28Å; N175-W178 HydrophobicContact CB-CZ2 4.06Å; N175-W178 HydrophobicContact CB-CZ3 4.1Å; N175-W178 PolarHBondContact ND2-NE1 2.78Å; N175-W178 VanDerWaalsContact ND2-NE1 3.19Å; N175-W178 WeakPolarHBondContact O-CB 3.5Å; N175-W178 PolarHBondContact O-N 3Å; P176-W178 VanDerWaalsContact C-N 3.33Å
179G94.3Very high94.8Very high63 Ų6373.6 Ų73.665%0.64937%0.371SS*.PPolyproline II helixtrans-56.2151.9176.500000112.3M181G179-M181 PolarHBondContact O-N 3.18Å
180D96.3Very high94.8Very high70 Ų7072.3 Ų72.337%0.37436%0.363SS..PPolyproline II helixtrans-61.6136.7-179.8-65.6-16.8000110.8L169 R170 K171L169-D180 HydrophobicContact CB-CB 4.39Å; L169-D180 HydrophobicContact CD2-CB 4.22Å; R170-D180 CarbonylContact O-C 3.57Å; R170-D180 WeakPolarHBondContact O-CA 3.35Å; K171-D180 VanDerWaalsContact CD-OD1 3.24Å; K171-D180 WeakPolarHBondContact CD-OD1 3.45Å; K171-D180 WeakPolarHBondContact CE-OD1 3.34Å; K171-D180 IonicContact NZ-OD1 3.92Å; K171-D180 PolarHBondContact NZ-OD1 3.08Å; K171-D180 IonicContact NZ-OD2 3.23Å; K171-D180 PolarHBondContact NZ-OD2 3.25Å
181M94.8Very high94.8Very high49 Ų4970.5 Ų70.524%0.24136%0.359CS..EExtended strand (participates in β ladder)trans-78.2136.2173.653.3166.348.600110.2L169 R170 P173 G179 L183L169-M181 WeakPolarHBondContact CA-O 3.31Å; R170-M181 HydrophobicContact CB-CG 3.81Å; R170-M181 HydrophobicContact CB-SD 4.11Å; R170-M181 PolarHBondContact N-O 3.34Å; R170-M181 WeakPolarHBondContact O-CG 3.5Å; R170-M181 PolarHBondContact O-N 3.13Å; P173-M181 HydrophobicContact CG-CE 4.04Å; G179-M181 PolarHBondContact O-N 3.18Å; M181-L183 HydrophobicContact SD-CD2 3.97Å; M181-L183 HydrophobicContact SD-CG 4.37Å
182K96.2Very high94.7Very high54 Ų5464.5 Ų64.524%0.23533%0.333CS..EExtended strand (participates in β ladder)trans-88.6125.1168.7-64.1-175.3175.8-165.40109.3R144 F167 L169 Y184R144-K182 HydrophobicContact CB-CB 4.28Å; R144-K182 PolarHBondContact N-O 2.86Å; F167-K182 HydrophobicContact CB-CB 4.29Å; F167-K182 HydrophobicContact CD1-CD 4.18Å; F167-K182 HydrophobicContact CD2-CB 3.98Å; F167-K182 HydrophobicContact CD2-CD 3.85Å; F167-K182 HydrophobicContact CD2-CG 3.66Å; F167-K182 HydrophobicContact CE1-CD 4.12Å; F167-K182 HydrophobicContact CE2-CD 3.8Å; F167-K182 HydrophobicContact CE2-CG 3.85Å; F167-K182 HydrophobicContact CG-CB 4.16Å; F167-K182 HydrophobicContact CG-CD 4.06Å; F167-K182 HydrophobicContact CG-CG 4.17Å; F167-K182 HydrophobicContact CZ-CD 3.94Å; F167-K182 HydrophobicContact CZ-CG 4.5Å; L169-K182 HydrophobicContact CD2-CG 3.73Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å
183L96.5Very high94.8Very high27 Ų2763 Ų6314%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-109.2127.4175.5-63.2-179000110L141 I142 F167 V168 R170 M181L141-L183 HydrophobicContact CB-CB 4.31Å; L141-L183 HydrophobicContact CD1-CB 4.48Å; L141-L183 HydrophobicContact CD1-CD1 4.25Å; I142-L183 WeakPolarHBondContact O-CA 3.25Å; F167-L183 CarbonylContact C-O 3.39Å; F167-L183 WeakPolarHBondContact CA-O 3.4Å; F167-L183 VanDerWaalsContact CB-O 3.32Å; F167-L183 WeakPolarHBondContact CB-O 3.5Å; V168-L183 PolarHBondContact N-O 2.95Å; V168-L183 PolarHBondContact O-N 3.28Å; R170-L183 HydrophobicContact CB-CD1 4.13Å; R170-L183 HydrophobicContact CG-CD1 3.64Å; R170-L183 HydrophobicContact CG-CG 4.49Å; M181-L183 HydrophobicContact SD-CD2 3.97Å; M181-L183 HydrophobicContact SD-CG 4.37Å
184Y96.5Very high94.9Very high1 Ų161.4 Ų61.40%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-110.8153178-65.9-92.1000109.9L141 I142 R144 L165 R166 F167 K182 K186 V189L141-Y184 CarbonylContact C-O 3.12Å; L141-Y184 WeakPolarHBondContact CA-O 3.4Å; I142-Y184 PolarHBondContact N-O 3.05Å; I142-Y184 PolarHBondContact O-N 3.12Å; R144-Y184 HydrophobicContact CB-CD2 4.35Å; R144-Y184 HydrophobicContact CB-CE2 3.82Å; R144-Y184 HydrophobicContact CG-CE2 3.98Å; L165-Y184 HydrophobicContact CB-CD1 3.94Å; L165-Y184 HydrophobicContact CB-CE1 3.97Å; R166-Y184 WeakPolarHBondContact O-CD1 3.44Å; F167-Y184 HydrophobicContact CB-CD1 3.92Å; F167-Y184 HydrophobicContact CB-CD2 4.38Å; F167-Y184 HydrophobicContact CB-CE1 3.71Å; F167-Y184 HydrophobicContact CB-CE2 4.15Å; F167-Y184 HydrophobicContact CB-CG 4.27Å; F167-Y184 AromaticContact CD1-CE1 3.9Å; F167-Y184 HydrophobicContact CD1-CE1 3.9Å; F167-Y184 AromaticContact CD1-CZ 3.87Å; F167-Y184 HydrophobicContact CG-CE1 4.23Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å; Y184-K186 PolarHBondContact O-N 3.19Å; Y184-V189 HydrophobicContact CG-CG2 4.44Å
185L95.9Very high95Very high0 Ų059.3 Ų59.30%030%0.301CS..EExtended strand (participates in β ladder)trans-73.6123.4173.6-168.566.8000109.8L120 F124 L126 H139 L141 L187 Q188 V189L120-L185 HydrophobicContact CD2-CD1 4.27Å; F124-L185 HydrophobicContact CB-CD2 4.44Å; F124-L185 HydrophobicContact CD1-CB 3.86Å; F124-L185 HydrophobicContact CE1-CB 4.18Å; F124-L185 HydrophobicContact CG-CB 4.17Å; L126-L185 HydrophobicContact CD1-CD2 4.39Å; L126-L185 HydrophobicContact CD2-CD2 4.07Å; H139-L185 HydrophobicContact CB-CD1 3.99Å; L141-L185 HydrophobicContact CD2-CD1 3.92Å; L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CG-CB 4.41Å; L185-L187 PolarHBondContact O-N 3.28Å; L185-Q188 HydrophobicContact CB-CB 4.35Å; L185-Q188 HydrophobicContact CB-CG 4.24Å; L185-Q188 HydrophobicContact CD2-CG 4.16Å; L185-Q188 PolarHBondContact O-N 3.03Å; L185-V189 PolarHBondContact O-N 3.17Å; L185-V189 VanDerWaalsContact O-N 3.15Å
186K95.6Very high95.1Very high68 Ų6859 Ų5930%0.29630%0.301SS..Hα-helixtrans-52.4-45.4-177.2-179.9-178.1165-171.10112K140 I142 Y151 Y184 Q188 V189 E190K140-K186 HydrophobicContact CB-CB 4.44Å; K140-K186 HydrophobicContact CB-CD 4.48Å; K140-K186 WeakPolarHBondContact O-CB 3.27Å; K140-K186 PolarHBondContact O-N 3.5Å; I142-K186 HydrophobicContact CD1-CB 4.38Å; I142-K186 HydrophobicContact CD1-CG 4.45Å; I142-K186 HydrophobicContact CG1-CB 4.42Å; I142-K186 HydrophobicContact CG2-CB 4.21Å; I142-K186 HydrophobicContact CG2-CG 4.47Å; Y151-K186 WeakPolarHBondContact OH-CE 3.32Å; Y184-K186 PolarHBondContact O-N 3.19Å; K186-Q188 VanDerWaalsContact C-N 3.31Å; K186-Q188 PolarHBondContact O-N 3.47Å; K186-V189 PolarHBondContact O-N 3.14Å; K186-V189 VanDerWaalsContact O-N 3.12Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 IonicContact NZ-OE1 3.83Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.3Å
187L94.2Very high95.2Very high50 Ų5058.7 Ų58.726%0.26229%0.288SS..Hα-helixtrans-57.5-40.2179.3-174.9155000113L185 K191L185-L187 VanDerWaalsContact C-N 3.26Å; L185-L187 HydrophobicContact CG-CB 4.41Å; L185-L187 PolarHBondContact O-N 3.28Å; L187-K191 HydrophobicContact CD2-CD 3.93Å; L187-K191 VanDerWaalsContact CD2-CE 3.47Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.17Å; L187-K191 VanDerWaalsContact O-N 3.16Å
188Q95.1Very high95.2Very high33 Ų3353.2 Ų53.215%0.15428%0.28CS..Hα-helixtrans-71.8-37.3177.8-73.8176.1-20.900112F124 L165 L185 K186 K191 R192F124-Q188 PolarHBondContact O-NE2 3.01Å; L165-Q188 HydrophobicContact CD2-CB 3.91Å; L185-Q188 HydrophobicContact CB-CB 4.35Å; L185-Q188 HydrophobicContact CB-CG 4.24Å; L185-Q188 HydrophobicContact CD2-CG 4.16Å; L185-Q188 PolarHBondContact O-N 3.03Å; K186-Q188 VanDerWaalsContact C-N 3.31Å; K186-Q188 PolarHBondContact O-N 3.47Å; Q188-K191 PolarHBondContact O-N 3.22Å; Q188-R192 WeakPolarHBondContact O-CB 3.22Å; Q188-R192 PolarHBondContact O-N 3.37Å
189V96.1Very high95.3Very high0 Ų049.3 Ų49.30%027%0.273CS..Hα-helixtrans-66.3-39.7176.4178.10000110.9I142 A147 Y151 L153 L165 Y184 L185 K186 R192 S193I142-V189 HydrophobicContact CD1-CB 4Å; I142-V189 HydrophobicContact CD1-CG1 4.02Å; I142-V189 HydrophobicContact CD1-CG2 4.03Å; I142-V189 HydrophobicContact CG1-CG2 4.42Å; A147-V189 HydrophobicContact CB-CG1 3.81Å; A147-V189 HydrophobicContact CB-CG2 4.25Å; Y151-V189 HydrophobicContact CD2-CG1 3.43Å; Y151-V189 VanDerWaalsContact CD2-CG1 3.43Å; Y151-V189 HydrophobicContact CE2-CG1 3.9Å; Y151-V189 HydrophobicContact CG-CG1 3.92Å; L153-V189 HydrophobicContact CD1-CG1 3.69Å; L165-V189 HydrophobicContact CD1-CG2 4.37Å; Y184-V189 HydrophobicContact CG-CG2 4.44Å; L185-V189 PolarHBondContact O-N 3.17Å; L185-V189 VanDerWaalsContact O-N 3.15Å; K186-V189 PolarHBondContact O-N 3.14Å; K186-V189 VanDerWaalsContact O-N 3.12Å; V189-R192 PolarHBondContact O-N 2.98Å; V189-S193 WeakPolarHBondContact O-CB 3.41Å; V189-S193 PolarHBondContact O-N 2.8Å
190E94.7Very high95.2Very high68 Ų6852.5 Ų52.532%0.31827%0.271SS..Hα-helixtrans-59.8-50.4174.1-79174.7169.500111.6Y151 K186 R192 S193 L194Y151-E190 HydrophobicContact CD1-CG 4.41Å; Y151-E190 HydrophobicContact CE1-CB 4.44Å; Y151-E190 HydrophobicContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CE1-CG 3.41Å; Y151-E190 VanDerWaalsContact CZ-CG 3.47Å; Y151-E190 WeakPolarHBondContact OH-CG 3.32Å; Y151-E190 PolarHBondContact OH-OE1 3.48Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 IonicContact NZ-OE1 3.83Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.3Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 2.79Å; E190-S193 WeakPolarHBondContact O-CB 3.25Å; E190-S193 PolarHBondContact O-N 3.36Å; E190-S193 PolarHBondContact O-OG 2.73Å; E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 2.94Å
191K94.8Very high95.1Very high122 Ų12256.4 Ų56.453%0.5329%0.287SS..Hα-helixtrans-56.1-46.9174.4-71.8177.8178-179.10111.7L187 Q188 S193 L194 E195L187-K191 HydrophobicContact CD2-CD 3.93Å; L187-K191 VanDerWaalsContact CD2-CE 3.47Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 3.17Å; L187-K191 VanDerWaalsContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 3.22Å; K191-S193 VanDerWaalsContact C-N 3.28Å; K191-S193 PolarHBondContact O-N 3.04Å; K191-L194 PolarHBondContact O-N 3.2Å; K191-E195 WeakPolarHBondContact O-CG 3.47Å; K191-E195 PolarHBondContact O-N 3.21Å
192R95.1Very high95.2Very high4 Ų455.5 Ų55.52%0.01529%0.287CS..Hα-helixtrans-62-35.7175.9-179.853.751.6811.9112.4L153 D157 R161 P163 L165 Q188 V189 E190 E195 V196L153-R192 HydrophobicContact CD1-CG 4.25Å; L153-R192 HydrophobicContact CD2-CG 4.41Å; D157-R192 WeakPolarHBondContact O-CD 3.41Å; D157-R192 PolarHBondContact O-NH1 3.32Å; R161-R192 PolarHBondContact O-NH1 3.11Å; P163-R192 PolarHBondContact O-NH2 2.89Å; L165-R192 HydrophobicContact CD1-CB 4.03Å; L165-R192 HydrophobicContact CD1-CG 4.14Å; Q188-R192 WeakPolarHBondContact O-CB 3.22Å; Q188-R192 PolarHBondContact O-N 3.37Å; V189-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 2.79Å; R192-E195 WeakPolarHBondContact CD-OE2 3.4Å; R192-E195 IonicContact CZ-OE2 2.97Å; R192-E195 IonicContact NE-OE2 3.14Å; R192-E195 PolarHBondContact NE-OE2 3.49Å; R192-E195 IonicContact NH2-OE2 2.68Å; R192-E195 PolarHBondContact O-N 3.1Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.42Å; R192-V196 PolarHBondContact O-N 3.37Å; R192-V196 VanDerWaalsContact O-N 3.1Å
193S95.7Very high95.1Very high6 Ų653.3 Ų53.34%0.04228%0.278CS..Hα-helixtrans-67-40.5177.181.40000111.8V189 E190 K191 E195 V196 W197V189-S193 WeakPolarHBondContact O-CB 3.41Å; V189-S193 PolarHBondContact O-N 2.8Å; E190-S193 WeakPolarHBondContact O-CB 3.25Å; E190-S193 PolarHBondContact O-N 3.36Å; E190-S193 PolarHBondContact O-OG 2.73Å; K191-S193 VanDerWaalsContact C-N 3.28Å; K191-S193 PolarHBondContact O-N 3.04Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 PolarHBondContact O-N 3Å; S193-V196 PolarHBondContact O-N 2.77Å; S193-W197 WeakPolarHBondContact O-CB 3.44Å; S193-W197 PolarHBondContact O-N 3.22Å
194L95.6Very high95Very high79 Ų7956.9 Ų56.941%0.41429%0.294SS..Hα-helixtrans-64.8-38174.4-66.2171.8000111.2E190 K191 V196 G198 E200E190-L194 WeakPolarHBondContact O-CG 3.4Å; E190-L194 PolarHBondContact O-N 2.94Å; K191-L194 PolarHBondContact O-N 3.2Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 2.88Å; L194-G198 CarbonylContact O-C 3.55Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.41Å; L194-E200 HydrophobicContact CD2-CB 4.28Å
195E94.5Very high95Very high107 Ų10763.5 Ų63.550%0.533%0.325SS..Hα-helixtrans-63.8-34.2174.1-70165.8-172.200113.1K191 R192 S193K191-E195 WeakPolarHBondContact O-CG 3.47Å; K191-E195 PolarHBondContact O-N 3.21Å; R192-E195 WeakPolarHBondContact CD-OE2 3.4Å; R192-E195 IonicContact CZ-OE2 2.97Å; R192-E195 IonicContact NE-OE2 3.14Å; R192-E195 PolarHBondContact NE-OE2 3.49Å; R192-E195 IonicContact NH2-OE2 2.68Å; R192-E195 PolarHBondContact O-N 3.1Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 PolarHBondContact O-N 3Å
196V95.4Very high95Very high41 Ų4164.5 Ų64.525%0.24833%0.333CS..Hα-helixtrans-82.8-41.8-177.5171.50000111.9L153 D157 R192 S193 L194L153-V196 HydrophobicContact CD2-CB 4.12Å; L153-V196 HydrophobicContact CD2-CG1 4.37Å; L153-V196 HydrophobicContact CD2-CG2 3.91Å; D157-V196 HydrophobicContact CB-CG2 4.1Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.42Å; R192-V196 PolarHBondContact O-N 3.37Å; R192-V196 VanDerWaalsContact O-N 3.1Å; S193-V196 PolarHBondContact O-N 2.77Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-V196 PolarHBondContact O-N 2.88Å
197W95.3Very high94.9Very high80 Ų8064.8 Ų64.830%0.30333%0.334SS..Hα-helixtrans-99.1-13.9-174.3-67100.5000113.6Y151 L152 S193 S199 L203 A206Y151-W197 PolarHBondContact O-NE1 3.43Å; L152-W197 HydrophobicContact CB-CZ2 3.65Å; L152-W197 HydrophobicContact CD1-CZ2 4.17Å; S193-W197 WeakPolarHBondContact O-CB 3.44Å; S193-W197 PolarHBondContact O-N 3.22Å; W197-S199 PolarHBondContact O-N 2.98Å; W197-S199 VanDerWaalsContact O-N 3.08Å; W197-L203 HydrophobicContact CB-CB 4.44Å; W197-L203 VanDerWaalsContact CD1-CD1 3.4Å; W197-L203 HydrophobicContact CD2-CD1 4.23Å; W197-L203 HydrophobicContact CG-CB 4.37Å; W197-L203 HydrophobicContact CG-CD1 3.92Å; W197-A206 HydrophobicContact CE3-CB 4.29Å; W197-A206 HydrophobicContact CH2-CB 3.83Å; W197-A206 HydrophobicContact CZ3-CB 3.66Å
198G93.8Very high95Very high64 Ų6468.3 Ų68.366%0.6635%0.35SS*.SBendtrans82.3-52.5-178.900000113.1L194L194-G198 CarbonylContact O-C 3.55Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.41Å
199S94.2Very high95.1Very high49 Ų4968.7 Ų68.734%0.34336%0.358SS..SBendtrans-131.5157.7178.765.70000112.1W197 E201 A202 L203W197-S199 PolarHBondContact O-N 2.98Å; W197-S199 VanDerWaalsContact O-N 3.08Å; S199-E201 VanDerWaalsContact C-N 3.31Å; S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.27Å; S199-A202 PolarHBondContact OG-N 3.39Å; S199-L203 PolarHBondContact O-N 3.03Å
200E93.1Very high95Very high130 Ų13074.9 Ų74.961%0.60738%0.381SS*.Hα-helixtrans-66.2-36.4173.1-172.5164.3-154.700111.2L194 A202 L203 E204L194-E200 HydrophobicContact CD2-CB 4.28Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 2.95Å; E200-L203 WeakPolarHBondContact O-CB 3.44Å; E200-L203 PolarHBondContact O-N 2.99Å; E200-L203 VanDerWaalsContact O-N 3.1Å; E200-E204 PolarHBondContact O-N 2.92Å
201E95.1Very high95.1Very high153 Ų15377.6 Ų77.672%0.71539%0.394SS*.Hα-helixtrans-58.1-42.9175.3-61.8177.8168.900112.1S199 L203 E204 E205S199-E201 VanDerWaalsContact C-N 3.31Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.94Å; E201-E204 PolarHBondContact O-N 2.89Å; E201-E205 PolarHBondContact O-N 3.28Å
202A95.8Very high95.2Very high30 Ų3077.8 Ų77.825%0.24840%0.397CS..Hα-helixtrans-66.5-32.8177.800000112.4S199 E200 A206S199-A202 PolarHBondContact O-N 2.95Å; S199-A202 WeakPolarHBondContact OG-CB 3.27Å; S199-A202 PolarHBondContact OG-N 3.39Å; E200-A202 VanDerWaalsContact C-N 3.33Å; E200-A202 PolarHBondContact O-N 2.95Å; A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.45Å; A202-A206 VanDerWaalsContact O-N 3.11Å
203L94.9Very high95.3Very high7 Ų782.1 Ų82.14%0.03742%0.421CS..Hα-helixtrans-67.1-42.8173.9-178.681.3000110.8Y151 L152 W197 S199 E200 E201 A206 K207Y151-L203 HydrophobicContact CD1-CD2 4.14Å; Y151-L203 VanDerWaalsContact O-CD1 3.27Å; Y151-L203 WeakPolarHBondContact O-CD1 3.35Å; L152-L203 HydrophobicContact CB-CD1 4.3Å; L152-L203 HydrophobicContact CD1-CD1 4.43Å; L152-L203 HydrophobicContact CG-CD1 4.26Å; W197-L203 HydrophobicContact CB-CB 4.44Å; W197-L203 VanDerWaalsContact CD1-CD1 3.4Å; W197-L203 HydrophobicContact CD2-CD1 4.23Å; W197-L203 HydrophobicContact CG-CB 4.37Å; W197-L203 HydrophobicContact CG-CD1 3.92Å; S199-L203 PolarHBondContact O-N 3.03Å; E200-L203 WeakPolarHBondContact O-CB 3.44Å; E200-L203 PolarHBondContact O-N 2.99Å; E200-L203 VanDerWaalsContact O-N 3.1Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.94Å; L203-A206 PolarHBondContact O-N 3.48Å; L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.41Å
204E94.8Very high95.3Very high103 Ų10389.9 Ų89.948%0.48145%0.449SS..Hα-helixtrans-65.7-48.3178.6-71.1-175.2163.400111.9E200 E201 A206 K207 E208E200-E204 PolarHBondContact O-N 2.92Å; E201-E204 PolarHBondContact O-N 2.89Å; E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 3.39Å; E204-K207 WeakPolarHBondContact O-CA 3.43Å; E204-K207 WeakPolarHBondContact O-CB 3.13Å; E204-K207 PolarHBondContact O-N 3.46Å; E204-E208 PolarHBondContact O-N 3.2Å
205E95.6Very high95.4Very high139 Ų13991.5 Ų91.565%0.6546%0.455SS*.Hα-helixtrans-56.7-42.2174.7-173.3-176.3-18000111.2E201 K207 E208 A209E201-E205 PolarHBondContact O-N 3.28Å; E205-K207 VanDerWaalsContact C-N 3.3Å; E205-K207 PolarHBondContact O-N 3.08Å; E205-E208 PolarHBondContact O-N 3.1Å; E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.37Å
206A95.1Very high95.5Very high21 Ų2189.6 Ų89.617%0.17445%0.45CS..Hα-helixtrans-66.3-29.4176.400000113.4L152 W197 A202 L203 E204 R210L152-A206 HydrophobicContact CD1-CB 3.81Å; W197-A206 HydrophobicContact CE3-CB 4.29Å; W197-A206 HydrophobicContact CH2-CB 3.83Å; W197-A206 HydrophobicContact CZ3-CB 3.66Å; A202-A206 VanDerWaalsContact O-CB 3.27Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.45Å; A202-A206 VanDerWaalsContact O-N 3.11Å; L203-A206 PolarHBondContact O-N 3.48Å; E204-A206 VanDerWaalsContact C-N 3.26Å; E204-A206 PolarHBondContact O-N 3.39Å; A206-R210 WeakPolarHBondContact O-CG 3.27Å; A206-R210 PolarHBondContact O-N 3.16Å
207K95.2Very high95.6Very high74 Ų7492.6 Ų92.632%0.32246%0.461SS..Hα-helixtrans-71.4-48.9173.7-75.9170.1179.9172.30110.9L150 L152 L203 E204 E205 A209 R210 E211L150-K207 WeakPolarHBondContact O-CE 3.24Å; L150-K207 PolarHBondContact O-NZ 3.41Å; L152-K207 HydrophobicContact CD1-CG 3.82Å; L152-K207 HydrophobicContact CD2-CG 4.28Å; L152-K207 HydrophobicContact CG-CG 4.13Å; L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.41Å; E204-K207 WeakPolarHBondContact O-CA 3.43Å; E204-K207 WeakPolarHBondContact O-CB 3.13Å; E204-K207 PolarHBondContact O-N 3.46Å; E205-K207 VanDerWaalsContact C-N 3.3Å; E205-K207 PolarHBondContact O-N 3.08Å; K207-A209 PolarHBondContact O-N 2.93Å; K207-R210 WeakPolarHBondContact O-CB 3.34Å; K207-R210 PolarHBondContact O-N 3.01Å; K207-R210 VanDerWaalsContact O-N 3.08Å; K207-E211 PolarHBondContact O-N 3.44Å
208E96Very high95.7Very high125 Ų12594.7 Ų94.758%0.58447%0.473SS*.Hα-helixtrans-58.8-48.8178.6-68.8-176.6168.400110.4E204 E205 R210 E211 E212E204-E208 PolarHBondContact O-N 3.2Å; E205-E208 PolarHBondContact O-N 3.1Å; E208-R210 PolarHBondContact O-N 3.29Å; E208-E211 PolarHBondContact O-N 2.93Å; E208-E212 WeakPolarHBondContact O-CG 3.33Å; E208-E212 PolarHBondContact O-N 3.11Å
209A96.3Very high95.9Very high40 Ų4096.6 Ų96.633%0.33146%0.464SS..Hα-helixtrans-58.2-34.7175.700000112.8E205 K207 N213E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.37Å; K207-A209 PolarHBondContact O-N 2.93Å; A209-N213 VanDerWaalsContact O-CB 3.27Å; A209-N213 WeakPolarHBondContact O-CB 3.41Å; A209-N213 VanDerWaalsContact O-CG 3.26Å; A209-N213 PolarHBondContact O-N 3.09Å; A209-N213 VanDerWaalsContact O-N 3.13Å; A209-N213 PolarHBondContact O-ND2 2.88Å
210R95.1Very high96Very high130 Ų130101.1 Ų101.149%0.49148%0.478SS..Hα-helixtrans-71.8-37.2174.8-81.1-175.9-173.7-172.510.2112.3L152 A206 K207 E208 R214L152-R210 VanDerWaalsContact CD2-NH1 3.26Å; A206-R210 WeakPolarHBondContact O-CG 3.27Å; A206-R210 PolarHBondContact O-N 3.16Å; K207-R210 WeakPolarHBondContact O-CB 3.34Å; K207-R210 PolarHBondContact O-N 3.01Å; K207-R210 VanDerWaalsContact O-N 3.08Å; E208-R210 PolarHBondContact O-N 3.29Å; R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 2.69Å
211E95.1Very high96.3Very high126 Ų126102.9 Ų102.959%0.58948%0.479SS*.Hα-helixtrans-67-49.9177.6-176.4152.3-143.800111.1K207 E208 N213 R214 E215K207-E211 PolarHBondContact O-N 3.44Å; E208-E211 PolarHBondContact O-N 2.93Å; E211-N213 VanDerWaalsContact C-N 3.33Å; E211-N213 PolarHBondContact O-N 2.98Å; E211-R214 CarbonylContact O-C 3.32Å; E211-R214 WeakPolarHBondContact O-CA 3.39Å; E211-R214 VanDerWaalsContact O-CB 3.25Å; E211-R214 WeakPolarHBondContact O-CB 3.34Å; E211-R214 PolarHBondContact O-N 2.94Å; E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.68Å
212E97.2Very high96.4Very high126 Ų126101.4 Ų101.459%0.58947%0.47SS*.Hα-helixtrans-55.4-47.9174.7-69.1-177.1167.900111.5E208 R214 E215 V216E208-E212 WeakPolarHBondContact O-CG 3.33Å; E208-E212 PolarHBondContact O-N 3.11Å; E212-R214 PolarHBondContact O-N 2.95Å; E212-E215 PolarHBondContact O-N 3.14Å; E212-E215 VanDerWaalsContact O-N 3.15Å; E212-V216 VanDerWaalsContact O-CG2 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 2.76Å
213N96.8Very high96.5Very high95 Ų95104 Ų10451%0.50848%0.48SS..Hα-helixtrans-60.3-36.2176.4-83.3-50.1000112.2A209 E211 Q217A209-N213 VanDerWaalsContact O-CB 3.27Å; A209-N213 WeakPolarHBondContact O-CB 3.41Å; A209-N213 VanDerWaalsContact O-CG 3.26Å; A209-N213 PolarHBondContact O-N 3.09Å; A209-N213 VanDerWaalsContact O-N 3.13Å; A209-N213 PolarHBondContact O-ND2 2.88Å; E211-N213 VanDerWaalsContact C-N 3.33Å; E211-N213 PolarHBondContact O-N 2.98Å; N213-Q217 WeakPolarHBondContact O-CB 3.07Å; N213-Q217 WeakPolarHBondContact O-CG 3.48Å; N213-Q217 PolarHBondContact O-N 3.22Å
214R96.6Very high96.6Very high168 Ų168109.9 Ų109.963%0.63451%0.505SS*.Hα-helixtrans-67.7-40.4177.1-161.2178-155.8-169.96.1111.2R210 E211 E212 Q217 K218R210-R214 WeakPolarHBondContact O-CB 3.46Å; R210-R214 PolarHBondContact O-N 2.69Å; E211-R214 CarbonylContact O-C 3.32Å; E211-R214 WeakPolarHBondContact O-CA 3.39Å; E211-R214 VanDerWaalsContact O-CB 3.25Å; E211-R214 WeakPolarHBondContact O-CB 3.34Å; E211-R214 PolarHBondContact O-N 2.94Å; E212-R214 PolarHBondContact O-N 2.95Å; R214-Q217 PolarHBondContact O-N 2.85Å; R214-K218 WeakPolarHBondContact O-CB 3.24Å; R214-K218 VanDerWaalsContact O-CG 3.26Å; R214-K218 WeakPolarHBondContact O-CG 3.2Å; R214-K218 PolarHBondContact O-N 2.97Å
215E97.1Very high96.8Very high114 Ų114112 Ų11253%0.53351%0.513SS..Hα-helixtrans-65.5-47.8175.4-67.3-173.3162.400111.8E211 E212 Q217 K218 Q219E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.68Å; E212-E215 PolarHBondContact O-N 3.14Å; E212-E215 VanDerWaalsContact O-N 3.15Å; E215-Q217 VanDerWaalsContact C-N 3.27Å; E215-Q217 PolarHBondContact O-N 2.76Å; E215-K218 WeakPolarHBondContact O-CB 3.34Å; E215-K218 PolarHBondContact O-N 3.32Å; E215-K218 VanDerWaalsContact O-N 3.09Å; E215-Q219 PolarHBondContact O-N 2.84Å
216V97.7Very high96.9Very high67 Ų67107.3 Ų107.341%0.40649%0.494SS..Hα-helixtrans-57.3-43174.8171.50000110.6E212 Q219 K220E212-V216 VanDerWaalsContact O-CG2 3.32Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 2.76Å; V216-Q219 PolarHBondContact O-N 3.32Å; V216-K220 HydrophobicContact CG1-CD 4.01Å; V216-K220 HydrophobicContact CG1-CG 4.49Å; V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 VanDerWaalsContact O-CG 3.28Å; V216-K220 WeakPolarHBondContact O-CG 3.2Å; V216-K220 PolarHBondContact O-N 3.04Å
217Q96.8Very high96.9Very high104 Ų104113.9 Ų113.949%0.48652%0.518SS..Hα-helixtrans-66.4-40.5176.1-75.8-179.517.800112.7N213 R214 E215 Q219 K220 R221N213-Q217 WeakPolarHBondContact O-CB 3.07Å; N213-Q217 WeakPolarHBondContact O-CG 3.48Å; N213-Q217 PolarHBondContact O-N 3.22Å; R214-Q217 PolarHBondContact O-N 2.85Å; E215-Q217 VanDerWaalsContact C-N 3.27Å; E215-Q217 PolarHBondContact O-N 2.76Å; Q217-Q219 VanDerWaalsContact C-N 3.35Å; Q217-K220 PolarHBondContact O-N 3.05Å; Q217-R221 WeakPolarHBondContact O-CB 3.41Å; Q217-R221 VanDerWaalsContact O-CG 3.24Å; Q217-R221 WeakPolarHBondContact O-CG 3.13Å; Q217-R221 PolarHBondContact O-N 2.86Å
218K97.4Very high96.9Very high124 Ų124115.4 Ų115.454%0.53953%0.526SS..Hα-helixtrans-60-46.4174.1-75.6169.1-178.5174.30110.5R214 E215 R221 F222R214-K218 WeakPolarHBondContact O-CB 3.24Å; R214-K218 VanDerWaalsContact O-CG 3.26Å; R214-K218 WeakPolarHBondContact O-CG 3.2Å; R214-K218 PolarHBondContact O-N 2.97Å; E215-K218 WeakPolarHBondContact O-CB 3.34Å; E215-K218 PolarHBondContact O-N 3.32Å; E215-K218 VanDerWaalsContact O-N 3.09Å; K218-R221 PolarHBondContact O-N 3.15Å; K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 3.39Å
219Q97.3Very high96.9Very high103 Ų103115 Ų11548%0.48153%0.527SS..Hα-helixtrans-63.1-44.7178-171.160.336.600111.8E215 V216 Q217 R221 F222 N223E215-Q219 PolarHBondContact O-N 2.84Å; V216-Q219 PolarHBondContact O-N 3.32Å; Q217-Q219 VanDerWaalsContact C-N 3.35Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 3.12Å; Q219-F222 PolarHBondContact O-N 3.33Å; Q219-N223 PolarHBondContact NE2-OD1 3.19Å; Q219-N223 WeakPolarHBondContact O-CB 3.47Å; Q219-N223 VanDerWaalsContact O-CG 3.27Å; Q219-N223 PolarHBondContact O-N 3.16Å
220K97.9Very high96.8Very high144 Ų144120.4 Ų120.463%0.62654%0.539SS*.Hα-helixtrans-59.9-43.2175.2-75.7174.2-179.5174.60111.8V216 Q217 N223 K224V216-K220 HydrophobicContact CG1-CD 4.01Å; V216-K220 HydrophobicContact CG1-CG 4.49Å; V216-K220 WeakPolarHBondContact O-CB 3.32Å; V216-K220 VanDerWaalsContact O-CG 3.28Å; V216-K220 WeakPolarHBondContact O-CG 3.2Å; V216-K220 PolarHBondContact O-N 3.04Å; Q217-K220 PolarHBondContact O-N 3.05Å; K220-N223 PolarHBondContact O-N 2.89Å; K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 2.86Å
221R97.9Very high96.5Very high168 Ų168123.2 Ų123.263%0.63455%0.55SS**Hα-helixtrans-63.3-42.4176.1-73.9174.7-171-151.54.5111.5Q217 K218 Q219 K224 K225Q217-R221 WeakPolarHBondContact O-CB 3.41Å; Q217-R221 VanDerWaalsContact O-CG 3.24Å; Q217-R221 WeakPolarHBondContact O-CG 3.13Å; Q217-R221 PolarHBondContact O-N 2.86Å; K218-R221 PolarHBondContact O-N 3.15Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 3.12Å; R221-K224 PolarHBondContact O-N 2.81Å; R221-K225 WeakPolarHBondContact O-CG 3.4Å; R221-K225 PolarHBondContact O-N 2.94Å
222F98.1Very high96.4Very high122 Ų122119.8 Ų119.854%0.53554%0.543SS..Hα-helixtrans-62.8-50.6176.1179.8-99.3000111.6K218 Q219 K224 K225 V226K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 3.39Å; Q219-F222 PolarHBondContact O-N 3.33Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 3.47Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.68Å; F222-K225 VanDerWaalsContact O-N 3.08Å; F222-V226 HydrophobicContact CD1-CG2 4.2Å; F222-V226 HydrophobicContact CE1-CG2 3.79Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.87Å; F222-V226 WeakPolarHBondContact O-CG2 3.17Å; F222-V226 PolarHBondContact O-N 3.23Å
223N97.4Very high96.1Very high84 Ų84117.7 Ų117.745%0.44954%0.539SS..Hα-helixtrans-58.6-38.6177.3-71.2-11.7000112.1Q219 K220 V226 K227Q219-N223 PolarHBondContact NE2-OD1 3.19Å; Q219-N223 WeakPolarHBondContact O-CB 3.47Å; Q219-N223 VanDerWaalsContact O-CG 3.27Å; Q219-N223 PolarHBondContact O-N 3.16Å; K220-N223 PolarHBondContact O-N 2.89Å; N223-V226 PolarHBondContact O-N 2.87Å; N223-K227 WeakPolarHBondContact O-CB 2.75Å; N223-K227 PolarHBondContact O-N 3.13Å
224K97.9Very high95.6Very high131 Ų131120.9 Ų120.957%0.5754%0.544SS*.Hα-helixtrans-61.5-48.2174.2-175.9178.7174.9-178.70111.4K220 R221 F222 V226 K227 E228K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 2.86Å; R221-K224 PolarHBondContact O-N 2.81Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 3.47Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 3.45Å; K224-K227 PolarHBondContact O-N 3.23Å; K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact O-CG 3.27Å; K224-E228 PolarHBondContact O-N 2.85Å
225K97.6Very high94.7Very high148 Ų148116.3 Ų116.364%0.64354%0.538SS*.Hα-helixtrans-59.7-42.3176.6-72.5178.8178.4-173.70112.1R221 F222 K227 E228 L229R221-K225 WeakPolarHBondContact O-CG 3.4Å; R221-K225 PolarHBondContact O-N 2.94Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.68Å; F222-K225 VanDerWaalsContact O-N 3.08Å; K225-K227 PolarHBondContact O-N 2.75Å; K225-E228 PolarHBondContact O-N 3.33Å; K225-L229 WeakPolarHBondContact O-CB 3.3Å; K225-L229 PolarHBondContact O-N 3.01Å
226V97.6Very high93.6Very high40 Ų40115.1 Ų115.124%0.24254%0.542CS..Hα-helixtrans-63.7-41.6176.1174.10000111.2F222 N223 K224 L229 R230F222-V226 HydrophobicContact CD1-CG2 4.2Å; F222-V226 HydrophobicContact CE1-CG2 3.79Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.87Å; F222-V226 WeakPolarHBondContact O-CG2 3.17Å; F222-V226 PolarHBondContact O-N 3.23Å; N223-V226 PolarHBondContact O-N 2.87Å; K224-V226 VanDerWaalsContact C-N 3.34Å; K224-V226 PolarHBondContact O-N 3.45Å; V226-L229 PolarHBondContact O-N 3.01Å; V226-R230 WeakPolarHBondContact O-CB 3.22Å; V226-R230 VanDerWaalsContact O-CG 3.3Å; V226-R230 WeakPolarHBondContact O-CG 3.42Å; V226-R230 PolarHBondContact O-N 3.46Å
227K96.6Very high92.4Very high159 Ų159117.8 Ų117.869%0.69156%0.558SS**Hα-helixtrans-64.3-42176.9-174.9176.8179.81770111.9N223 K224 K225 R230 R231N223-K227 WeakPolarHBondContact O-CB 2.75Å; N223-K227 PolarHBondContact O-N 3.13Å; K224-K227 PolarHBondContact O-N 3.23Å; K225-K227 PolarHBondContact O-N 2.75Å; K227-R230 PolarHBondContact O-N 2.7Å; K227-R231 PolarHBondContact O-N 3.05Å
228E95.4Very high90.8Very high105 Ų105121.1 Ų121.149%0.49157%0.566SS.*Hα-helixtrans-63.4-45.8175.4-75.3171.3179.300111.4K224 K225 R230 R231 A232K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact O-CG 3.27Å; K224-E228 PolarHBondContact O-N 2.85Å; K225-E228 PolarHBondContact O-N 3.33Å; E228-R230 PolarHBondContact O-N 2.8Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 2.97Å; E228-R231 VanDerWaalsContact O-N 3.13Å; E228-A232 PolarHBondContact O-N 3.06Å
229L95.2Very high89.4Confident116 Ų116120.3 Ų120.361%0.60757%0.572SS**Hα-helixtrans-58.3-47.4175.1-178.664.1000111.6K225 V226 R231 A232 V233K225-L229 WeakPolarHBondContact O-CB 3.3Å; K225-L229 PolarHBondContact O-N 3.01Å; V226-L229 PolarHBondContact O-N 3.01Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.05Å; L229-A232 PolarHBondContact O-N 2.98Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 3.28Å
230R93.3Very high87.9Confident154 Ų154122.3 Ų122.358%0.58158%0.579SS**Hα-helixtrans-60.2-37.9175.8-73.5175.3-178.6-172.70.9112.2V226 K227 E228 R234V226-R230 WeakPolarHBondContact O-CB 3.22Å; V226-R230 VanDerWaalsContact O-CG 3.3Å; V226-R230 WeakPolarHBondContact O-CG 3.42Å; V226-R230 PolarHBondContact O-N 3.46Å; K227-R230 PolarHBondContact O-N 2.7Å; E228-R230 PolarHBondContact O-N 2.8Å; R230-R234 WeakPolarHBondContact O-CB 3.36Å; R230-R234 WeakPolarHBondContact O-CG 2.82Å; R230-R234 PolarHBondContact O-N 3.07Å
231R90.8Very high86.2Confident190 Ų190122.6 Ų122.672%0.71759%0.587SS**Hα-helixtrans-65.8-45.6176.5-177.3-179172.5-160.8-2.6110.9K227 E228 L229 R234 S235K227-R231 PolarHBondContact O-N 3.05Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 2.97Å; E228-R231 VanDerWaalsContact O-N 3.13Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.05Å; R231-R234 PolarHBondContact O-N 3.48Å; R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 3.39Å
232A91.2Very high84.7Confident54 Ų54120.9 Ų120.945%0.44660%0.596SS.*Hα-helixtrans-59.9-46.4178.700000111.9E228 L229 S235 S236E228-A232 PolarHBondContact O-N 3.06Å; L229-A232 PolarHBondContact O-N 2.98Å; A232-S235 WeakPolarHBondContact CA-OG 3.5Å; A232-S235 PolarHBondContact O-N 3.46Å; A232-S235 PolarHBondContact O-OG 3.06Å; A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 PolarHBondContact O-OG 2.74Å
233V91.6Very high83.7Confident81 Ų81120 Ų12049%0.49161%0.605SS.*Hα-helixtrans-64-40.5176.41750000111.8L229 S236 V237L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 3.28Å; V233-S236 PolarHBondContact O-N 3.23Å; V233-S236 PolarHBondContact O-OG 3.39Å; V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3.09Å
234R86.8Confident82.4Confident162 Ų162119.8 Ų119.861%0.61162%0.615SS**Hα-helixtrans-64.6-40.8175.7-77-172.6-146.7120.9-2112.5R230 R231 S236 V237 W238R230-R234 WeakPolarHBondContact O-CB 3.36Å; R230-R234 WeakPolarHBondContact O-CG 2.82Å; R230-R234 PolarHBondContact O-N 3.07Å; R231-R234 PolarHBondContact O-N 3.48Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.9Å; R234-V237 PolarHBondContact O-N 3.21Å; R234-W238 WeakPolarHBondContact O-CB 3.17Å; R234-W238 PolarHBondContact O-N 2.91Å
235S78.1Confident81.5Confident73 Ų73117.6 Ų117.651%0.5161%0.607SS.*Hα-helixtrans-69.9-26.8178.648.50000113.5R231 A232R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 3.39Å; A232-S235 WeakPolarHBondContact CA-OG 3.5Å; A232-S235 PolarHBondContact O-N 3.46Å; A232-S235 PolarHBondContact O-OG 3.06Å
236S72.9Confident80.6Confident89 Ų89118.5 Ų118.562%0.62261%0.613SS**Hα-helixtrans-78.4-29.817661.10000113.1A232 V233 R234A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 PolarHBondContact O-OG 2.74Å; V233-S236 PolarHBondContact O-N 3.23Å; V233-S236 PolarHBondContact O-OG 3.39Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.9Å
237V71.8Confident79.8Confident123 Ų123120.3 Ų120.375%0.74562%0.619SS**Hα-helixtrans-86.9-28.1178.7177.20000111.9V233 R234V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3.09Å; R234-V237 PolarHBondContact O-N 3.21Å
238W64.1Low79Confident173 Ų173119.3 Ų119.366%0.65562%0.616SS**  trans-118.485.9-176.5-168.179.3000110.9R234 K240R234-W238 WeakPolarHBondContact O-CB 3.17Å; R234-W238 PolarHBondContact O-N 2.91Å; W238-K240 HydrophobicContact CH2-CD 3.45Å; W238-K240 VanDerWaalsContact CH2-CD 3.45Å; W238-K240 HydrophobicContact CH2-CG 3.59Å; W238-K240 HydrophobicContact CZ2-CD 3.84Å; W238-K240 VanDerWaalsContact CZ2-CE 3.41Å; W238-K240 HydrophobicContact CZ2-CG 3.59Å; W238-K240 HydrophobicContact CZ3-CD 4.07Å; W238-K240 HydrophobicContact CZ3-CG 4.03Å
239T68.4Low78.5Confident108 Ų108117.8 Ų117.866%0.66361%0.607SS**  trans-90.9116.3160.348.40000107.7D241T239-D241 PolarHBondContact O-N 3.31Å
240K64.8Low77.8Confident144 Ų144113 Ų11363%0.62659%0.585SS**  trans-64.2121.2164.2-90.8177.6163174.80107.1W238 T242W238-K240 HydrophobicContact CH2-CD 3.45Å; W238-K240 VanDerWaalsContact CH2-CD 3.45Å; W238-K240 HydrophobicContact CH2-CG 3.59Å; W238-K240 HydrophobicContact CZ2-CD 3.84Å; W238-K240 VanDerWaalsContact CZ2-CE 3.41Å; W238-K240 HydrophobicContact CZ2-CG 3.59Å; W238-K240 HydrophobicContact CZ3-CD 4.07Å; W238-K240 HydrophobicContact CZ3-CG 4.03Å; K240-T242 VanDerWaalsContact C-N 3.31Å; K240-T242 PolarHBondContact O-N 3.25Å
241D63.6Low77Confident150 Ų150111.2 Ų111.280%0.80259%0.593SS**  trans-61.4100.5166-74.2-29.6000107.7T239 S243T239-D241 PolarHBondContact O-N 3.31Å; D241-S243 PolarHBondContact O-N 2.77Å
242T66.6Low76.4Confident132 Ų132105.8 Ų105.881%0.8158%0.576SS**  trans-8916.2173.347.60000110.9K240 A244K240-T242 VanDerWaalsContact C-N 3.31Å; K240-T242 PolarHBondContact O-N 3.25Å; T242-A244 PolarHBondContact O-N 2.88Å
243S75.2Confident75.7Confident104 Ų104108.6 Ų108.673%0.72758%0.58SS**  trans-55.4103.2168.4-178.30000107.7D241 H245D241-S243 PolarHBondContact O-N 2.77Å; S243-H245 PolarHBondContact O-N 2.77Å
244A71Confident74.9Confident80 Ų80108.9 Ų108.966%0.66158%0.578SS**  trans-60.7128.1169.400000106.5T242 Q246T242-A244 PolarHBondContact O-N 2.88Å; A244-Q246 PolarHBondContact O-N 2.88Å
245H78.8Confident74.3Confident85 Ų85105 Ų10539%0.39457%0.572SS.*  trans-54.2116.3176.4178.157.4000109.2S243 H247 T268 C269S243-H245 PolarHBondContact O-N 2.77Å; H245-H247 AromaticContact CD2-CE1 3.78Å; H245-H247 AromaticContact CD2-ND1 3.61Å; H245-H247 PolarHBondContact O-N 2.78Å; H245-T268 WeakPolarHBondContact CE1-CB 3.2Å; H245-T268 PolarHBondContact CE1-OG1 3.14Å; H245-T268 WeakPolarHBondContact NE2-CB 3.39Å; H245-T268 PolarHBondContact NE2-OG1 2.81Å; H245-C269 VanDerWaalsContact CD2-SG 3.56Å
246Q79Confident74Confident167 Ų167105.6 Ų105.678%0.7857%0.57SS**  trans-74.4114.3173.2-75.4-177-9.400107.9A244 E248A244-Q246 PolarHBondContact O-N 2.88Å; Q246-E248 PolarHBondContact O-N 3.3Å
247H80.2Confident73.7Confident77 Ų77108.9 Ų108.936%0.35658%0.575SS.*  trans-75.7110.8-179-65.3-80.1000110.5H245 Y249 C266 C269 H271H245-H247 AromaticContact CD2-CE1 3.78Å; H245-H247 AromaticContact CD2-ND1 3.61Å; H245-H247 PolarHBondContact O-N 2.78Å; H247-Y249 HydrophobicContact CB-CD2 4.17Å; H247-Y249 HydrophobicContact CB-CE1 4.46Å; H247-Y249 HydrophobicContact CB-CE2 3.51Å; H247-C266 WeakPolarHBondContact CA-SG 3.4Å; H247-C266 HydrophobicContact CB-CB 4.14Å; H247-C266 PolarHBondContact ND1-SG 2.97Å; H247-C269 PolarHBondContact CE1-SG 3.05Å; H247-C269 PolarHBondContact ND1-SG 3.45Å; H247-H271 VanDerWaalsContact CE1-CB 3.48Å; H247-H271 WeakPolarHBondContact CE1-CB 3.31Å; H247-H271 AromaticContact CE1-CG 3.81Å
248E80.8Confident73.5Confident138 Ų138112.4 Ų112.465%0.64558%0.583SS**  trans-89.5109.5164.1-69.2-177.4-17800108.6Q246 C266 N267Q246-E248 PolarHBondContact O-N 3.3Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; E248-C266 PolarHBondContact O-SG 2.81Å; E248-C266 VanDerWaalsContact O-SG 3.4Å; E248-N267 PolarHBondContact O-N 3.31Å
249Y84.8Confident73.7Confident74 Ų74110.5 Ų110.529%0.2958%0.582SS.*BIsolated β-bridgetrans-83.7133.3-179.9-70.1-78.1000111.2H247 K264 C266 H271 L273H247-Y249 HydrophobicContact CB-CD2 4.17Å; H247-Y249 HydrophobicContact CB-CE1 4.46Å; H247-Y249 HydrophobicContact CB-CE2 3.51Å; Y249-K264 HydrophobicContact CD1-CB 3.78Å; Y249-K264 HydrophobicContact CG-CB 4.14Å; Y249-C266 HydrophobicContact CD1-CB 4.08Å; Y249-C266 HydrophobicContact CE1-CB 3.97Å; Y249-H271 AromaticContact CE1-ND1 3.96Å; Y249-H271 AromaticContact CZ-ND1 3.93Å; Y249-H271 PolarHBondContact OH-ND1 2.86Å; Y249-L273 HydrophobicContact CD1-CB 4.41Å; Y249-L273 HydrophobicContact CE1-CB 3.68Å; Y249-L273 HydrophobicContact CE1-CD1 4.22Å; Y249-L273 HydrophobicContact CE2-CD1 4.08Å; Y249-L273 WeakPolarHBondContact OH-CD1 3.24Å
250G79.3Confident74.1Confident14 Ų14109.2 Ų109.214%0.14457%0.571CS.*  trans-75.5-168.917500000113.8V265G250-V265 PolarHBondContact N-O 2.85Å
251P76.5Confident74.9Confident117 Ų117104.9 Ų104.976%0.7655%0.554SS**PPolyproline II helixtrans-58.8150.6-179.224.9-33.2000112.6
252E79.8Confident75.8Confident76 Ų7699.9 Ų99.936%0.35552%0.524SS..PPolyproline II helixtrans-75.3126.5-178.7-70.9174-155.500111.1Y262 K264 Y275 K277E252-Y262 HydrophobicContact CB-CD1 4.45Å; E252-K264 HydrophobicContact CG-CD 4.09Å; E252-K264 HydrophobicContact CG-CG 3.83Å; E252-K264 WeakPolarHBondContact OE1-CE 3.49Å; E252-K264 IonicContact OE1-NZ 3.69Å; E252-K264 PolarHBondContact OE1-NZ 2.89Å; E252-Y275 WeakPolarHBondContact CG-OH 3.36Å; E252-Y275 PolarHBondContact OE1-OH 3.34Å; E252-Y275 PolarHBondContact OE2-OH 2.75Å; E252-K277 IonicContact OE1-NZ 3.77Å; E252-K277 IonicContact OE2-NZ 2.66Å; E252-K277 PolarHBondContact OE2-NZ 2.82Å
253E76Confident76.8Confident113 Ų11397 Ų9753%0.52850%0.498SS..EExtended strand (participates in β ladder)trans-102.4129.7169.4-67.2-179.1174.400109.1R263E253-R263 PolarHBondContact N-O 2.86Å; E253-R263 PolarHBondContact O-N 2.62Å
254I74Confident77.3Confident88 Ų8894.5 Ų94.545%0.45148%0.475SS..EExtended strand (participates in β ladder)trans-82121.4175-57.7166.6000107.1E257 Y262I254-E257 HydrophobicContact CG2-CG 3.63Å; I254-Y262 HydrophobicContact CD1-CE1 4.25Å; I254-Y262 HydrophobicContact CG1-CD1 3.92Å; I254-Y262 HydrophobicContact CG1-CE1 3.58Å
255V74.8Confident78Confident79 Ų7993 Ų9348%0.47946%0.457SS..EExtended strand (participates in β ladder)trans-92.3-44.2179.2-178.30000110L261 R263V255-L261 PolarHBondContact N-O 2.81Å; V255-L261 VanDerWaalsContact N-O 3.08Å; V255-R263 HydrophobicContact CG2-CB 3.69Å
256D71.8Confident78.4Confident87 Ų8789 Ų8947%0.46544%0.439SS..EExtended strand (participates in β ladder)trans-142.6121.2177.2-72.9-57.2000110.3L261D256-L261 HydrophobicContact CB-CB 4.46Å; D256-L261 HydrophobicContact CB-CD1 4.46Å; D256-L261 PolarHBondContact O-N 2.75Å
257E66.3Low78.4Confident158 Ų15886.7 Ų86.774%0.73843%0.432SS*.THydrogen-bonded Turntrans-78.2-19.9-179.3-77.2-178.4170.300113.5I254I254-E257 HydrophobicContact CG2-CG 3.63Å
258E68.9Low78.3Confident197 Ų19787.2 Ų87.292%0.92144%0.44SS*.THydrogen-bonded Turntrans-83.3-21-178.7-62.8-172.1166.500113.3
259E66.8Low78.4Confident132 Ų13283.7 Ų83.762%0.61743%0.43SS*.THydrogen-bonded Turntrans-116.811.7-177.8-67.9-170.8176.200112.8L261E259-L261 HydrophobicContact CB-CD1 3.7Å; E259-L261 HydrophobicContact CB-CG 4.27Å; E259-L261 PolarHBondContact O-N 3.25Å; E259-L261 VanDerWaalsContact O-N 3.16Å; E259-L261 WeakPolarHBondContact OE2-CD1 3.43Å
260D77.6Confident78.1Confident81 Ų8182.3 Ų82.343%0.43344%0.439SS..THydrogen-bonded Turntrans50.337.6179.9-72.5-47.1000114.6Y262 E276 K277D260-Y262 VanDerWaalsContact O-CD2 3.23Å; D260-Y262 WeakPolarHBondContact O-CD2 3.39Å; D260-Y262 WeakPolarHBondContact O-CE2 2.98Å; D260-E276 HydrophobicContact CB-CG 4.48Å; D260-E276 WeakPolarHBondContact O-CA 3.29Å; D260-K277 PolarHBondContact O-N 3.06Å
261L81.1Confident78.3Confident53 Ų5385.7 Ų85.728%0.27745%0.45SS..EExtended strand (participates in β ladder)trans-92118.2-176.9-82.2155.2000112.4V255 D256 E259V255-L261 PolarHBondContact N-O 2.81Å; V255-L261 VanDerWaalsContact N-O 3.08Å; D256-L261 HydrophobicContact CB-CB 4.46Å; D256-L261 HydrophobicContact CB-CD1 4.46Å; D256-L261 PolarHBondContact O-N 2.75Å; E259-L261 HydrophobicContact CB-CD1 3.7Å; E259-L261 HydrophobicContact CB-CG 4.27Å; E259-L261 PolarHBondContact O-N 3.25Å; E259-L261 VanDerWaalsContact O-N 3.16Å; E259-L261 WeakPolarHBondContact OE2-CD1 3.43Å
262Y82.5Confident78.8Confident45 Ų4584.9 Ų84.918%0.17644%0.436CS..EExtended strand (participates in β ladder)trans-114.5142.1179.2-63.6-95.6000111.6E252 I254 D260 T274 Y275 K277E252-Y262 HydrophobicContact CB-CD1 4.45Å; I254-Y262 HydrophobicContact CD1-CE1 4.25Å; I254-Y262 HydrophobicContact CG1-CD1 3.92Å; I254-Y262 HydrophobicContact CG1-CE1 3.58Å; D260-Y262 VanDerWaalsContact O-CD2 3.23Å; D260-Y262 WeakPolarHBondContact O-CD2 3.39Å; D260-Y262 WeakPolarHBondContact O-CE2 2.98Å; Y262-T274 CarbonylContact O-C 3.48Å; Y262-T274 VanDerWaalsContact O-CA 3.31Å; Y262-T274 WeakPolarHBondContact O-CA 3.26Å; Y262-Y275 HydrophobicContact CG-CE2 4.44Å; Y262-Y275 PolarHBondContact N-O 2.93Å; Y262-Y275 PolarHBondContact O-N 3.04Å; Y262-K277 HydrophobicContact CD2-CB 3.88Å; Y262-K277 HydrophobicContact CD2-CD 3.99Å; Y262-K277 HydrophobicContact CD2-CG 4.37Å; Y262-K277 HydrophobicContact CE2-CB 3.62Å; Y262-K277 HydrophobicContact CE2-CD 3.79Å; Y262-K277 HydrophobicContact CE2-CG 4.29Å; Y262-K277 HydrophobicContact CG-CD 4.48Å
263R86.9Confident79Confident71 Ų7184.6 Ų84.627%0.26844%0.437SS..EExtended strand (participates in β ladder)trans-119.1135.5174.9-177.3165.6164.8-121.115.7110.7E253 V255 E272 T274E253-R263 PolarHBondContact N-O 2.86Å; E253-R263 PolarHBondContact O-N 2.62Å; V255-R263 HydrophobicContact CG2-CB 3.69Å; R263-E272 IonicContact CZ-OE1 3.14Å; R263-E272 IonicContact CZ-OE2 4Å; R263-E272 IonicContact NE-OE1 2.83Å; R263-E272 IonicContact NE-OE2 2.69Å; R263-E272 PolarHBondContact NE-OE2 2.76Å; R263-E272 IonicContact NH2-OE1 2.7Å; R263-E272 PolarHBondContact NH2-OE1 2.84Å; R263-E272 IonicContact NH2-OE2 3.68Å; R263-E272 PolarHBondContact NH2-OE2 2.85Å; R263-T274 HydrophobicContact CB-CG2 4.06Å; R263-T274 HydrophobicContact CG-CG2 3.99Å
264K86.8Confident79.4Confident52 Ų5283.8 Ų83.823%0.22644%0.44CS..EExtended strand (participates in β ladder)trans-121.5134.6171.6-77.4179.7179.4168.70110.4Y249 E252 E272 L273 Y275Y249-K264 HydrophobicContact CD1-CB 3.78Å; Y249-K264 HydrophobicContact CG-CB 4.14Å; E252-K264 HydrophobicContact CG-CD 4.09Å; E252-K264 HydrophobicContact CG-CG 3.83Å; E252-K264 WeakPolarHBondContact OE1-CE 3.49Å; E252-K264 IonicContact OE1-NZ 3.69Å; E252-K264 PolarHBondContact OE1-NZ 2.89Å; K264-E272 CarbonylContact O-C 3.57Å; K264-E272 WeakPolarHBondContact O-CA 3.47Å; K264-L273 PolarHBondContact N-O 2.94Å; K264-L273 PolarHBondContact O-N 3.22Å; K264-Y275 HydrophobicContact CD-CE1 3.78Å; K264-Y275 WeakPolarHBondContact CE-OH 3.28Å; K264-Y275 HydrophobicContact CG-CE1 3.95Å; K264-Y275 PolarHBondContact NZ-OH 3.16Å
265V85.3Confident79.9Confident48 Ų4882.2 Ų82.229%0.29143%0.429SS..EExtended strand (participates in β ladder)trans-109134.5174.8-171.30000109.7G250 H271 E272G250-V265 PolarHBondContact N-O 2.85Å; V265-H271 CarbonylContact C-O 3.52Å; V265-H271 WeakPolarHBondContact CA-O 3.13Å; V265-E272 HydrophobicContact CG1-CG 4.38Å; V265-E272 HydrophobicContact CG2-CG 4.14Å
266C86.9Confident80.3Confident1 Ų185 Ų851%0.00744%0.436CS..BIsolated β-bridgetrans-74.6125.8175.5178.80000110.6H247 E248 Y249 T268 C269 G270 H271H247-C266 WeakPolarHBondContact CA-SG 3.4Å; H247-C266 HydrophobicContact CB-CB 4.14Å; H247-C266 PolarHBondContact ND1-SG 2.97Å; E248-C266 WeakPolarHBondContact O-CA 3.46Å; E248-C266 PolarHBondContact O-SG 2.81Å; E248-C266 VanDerWaalsContact O-SG 3.4Å; Y249-C266 HydrophobicContact CD1-CB 4.08Å; Y249-C266 HydrophobicContact CE1-CB 3.97Å; C266-T268 PolarHBondContact O-N 3.47Å; C266-T268 PolarHBondContact SG-OG1 3.14Å; C266-C269 VanDerWaalsContact SG-SG 3.64Å; C266-G270 WeakPolarHBondContact O-CA 3.3Å; C266-G270 PolarHBondContact O-N 3.25Å; C266-H271 HydrophobicContact CB-CB 4.1Å; C266-H271 PolarHBondContact N-O 3.08Å
267N79.6Confident80.5Confident119 Ų11985.3 Ų85.364%0.63643%0.434SS*.THydrogen-bonded Turntrans-65.7-23.4-173-66.5-31.7000113.8E248E248-N267 PolarHBondContact O-N 3.31Å
268T78.8Confident80.5Confident88 Ų8889.7 Ų89.754%0.5446%0.457SS..THydrogen-bonded Turntrans-103.1-22.7-169.736.70000113.8H245 C266H245-T268 WeakPolarHBondContact CE1-CB 3.2Å; H245-T268 PolarHBondContact CE1-OG1 3.14Å; H245-T268 WeakPolarHBondContact NE2-CB 3.39Å; H245-T268 PolarHBondContact NE2-OG1 2.81Å; C266-T268 PolarHBondContact O-N 3.47Å; C266-T268 PolarHBondContact SG-OG1 3.14Å
269C82Confident81.1Confident64 Ų6484.4 Ų84.443%0.43243%0.434SS..THydrogen-bonded Turntrans-136.2-0.8-178.175.90000114.7H245 H247 C266 H271H245-C269 VanDerWaalsContact CD2-SG 3.56Å; H247-C269 PolarHBondContact CE1-SG 3.05Å; H247-C269 PolarHBondContact ND1-SG 3.45Å; C266-C269 VanDerWaalsContact SG-SG 3.64Å; C269-H271 PolarHBondContact O-N 3.42Å; C269-H271 WeakPolarHBondContact SG-CB 3.09Å; C269-H271 PolarHBondContact SG-N 2.99Å
270G79.4Confident81.8Confident45 Ų4581.8 Ų81.846%0.46443%0.425SS..  trans68.217.618000000114.5C266C266-G270 WeakPolarHBondContact O-CA 3.3Å; C266-G270 PolarHBondContact O-N 3.25Å
271H83.8Confident82Confident85 Ų8581.9 Ų81.939%0.39442%0.424SS..  trans-70.6132175.3-179.2-84.7000110.2H247 Y249 V265 C266 C269H247-H271 VanDerWaalsContact CE1-CB 3.48Å; H247-H271 WeakPolarHBondContact CE1-CB 3.31Å; H247-H271 AromaticContact CE1-CG 3.81Å; Y249-H271 AromaticContact CE1-ND1 3.96Å; Y249-H271 AromaticContact CZ-ND1 3.93Å; Y249-H271 PolarHBondContact OH-ND1 2.86Å; V265-H271 CarbonylContact C-O 3.52Å; V265-H271 WeakPolarHBondContact CA-O 3.13Å; C266-H271 HydrophobicContact CB-CB 4.1Å; C266-H271 PolarHBondContact N-O 3.08Å; C269-H271 PolarHBondContact O-N 3.42Å; C269-H271 WeakPolarHBondContact SG-CB 3.09Å; C269-H271 PolarHBondContact SG-N 2.99Å
272E85.1Confident82.1Confident100 Ų10083.6 Ų83.647%0.46743%0.433SS..EExtended strand (participates in β ladder)trans-106.5132.8-176.6-52-179.5177.200110R263 K264 V265R263-E272 IonicContact CZ-OE1 3.14Å; R263-E272 IonicContact CZ-OE2 4Å; R263-E272 IonicContact NE-OE1 2.83Å; R263-E272 IonicContact NE-OE2 2.69Å; R263-E272 PolarHBondContact NE-OE2 2.76Å; R263-E272 IonicContact NH2-OE1 2.7Å; R263-E272 PolarHBondContact NH2-OE1 2.84Å; R263-E272 IonicContact NH2-OE2 3.68Å; R263-E272 PolarHBondContact NH2-OE2 2.85Å; K264-E272 CarbonylContact O-C 3.57Å; K264-E272 WeakPolarHBondContact O-CA 3.47Å; V265-E272 HydrophobicContact CG1-CG 4.38Å; V265-E272 HydrophobicContact CG2-CG 4.14Å
273L84.2Confident82.1Confident70 Ų7086 Ų8637%0.36645%0.449SS..EExtended strand (participates in β ladder)trans-127111-179.7-152.5149.8000108.2Y249 K264 Y275Y249-L273 HydrophobicContact CD1-CB 4.41Å; Y249-L273 HydrophobicContact CE1-CB 3.68Å; Y249-L273 HydrophobicContact CE1-CD1 4.22Å; Y249-L273 HydrophobicContact CE2-CD1 4.08Å; Y249-L273 WeakPolarHBondContact OH-CD1 3.24Å; K264-L273 PolarHBondContact N-O 2.94Å; K264-L273 PolarHBondContact O-N 3.22Å; L273-Y275 HydrophobicContact CD2-CD1 4.2Å
274T85.8Confident81.8Confident96 Ų9687 Ų8759%0.58946%0.461SS*.EExtended strand (participates in β ladder)trans-95.5134.5175.4490000109.7Y262 R263Y262-T274 CarbonylContact O-C 3.48Å; Y262-T274 VanDerWaalsContact O-CA 3.31Å; Y262-T274 WeakPolarHBondContact O-CA 3.26Å; R263-T274 HydrophobicContact CB-CG2 4.06Å; R263-T274 HydrophobicContact CG-CG2 3.99Å
275Y83.8Confident81.4Confident55 Ų5589.5 Ų89.522%0.21648%0.478CS..EExtended strand (participates in β ladder)trans-150.7156.5178.266-86.9000111.3E252 Y262 K264 L273 K277E252-Y275 WeakPolarHBondContact CG-OH 3.36Å; E252-Y275 PolarHBondContact OE1-OH 3.34Å; E252-Y275 PolarHBondContact OE2-OH 2.75Å; Y262-Y275 HydrophobicContact CG-CE2 4.44Å; Y262-Y275 PolarHBondContact N-O 2.93Å; Y262-Y275 PolarHBondContact O-N 3.04Å; K264-Y275 HydrophobicContact CD-CE1 3.78Å; K264-Y275 WeakPolarHBondContact CE-OH 3.28Å; K264-Y275 HydrophobicContact CG-CE1 3.95Å; K264-Y275 PolarHBondContact NZ-OH 3.16Å; L273-Y275 HydrophobicContact CD2-CD1 4.2Å; Y275-K277 HydrophobicContact CE2-CD 4.28Å; Y275-K277 HydrophobicContact CE2-CG 4.07Å
276E82.4Confident81.1Confident137 Ų13792.7 Ų92.764%0.6449%0.492SS*.EExtended strand (participates in β ladder)trans-97.8138176.4-169.2-178.5173.100109.4D260D260-E276 HydrophobicContact CB-CG 4.48Å; D260-E276 WeakPolarHBondContact O-CA 3.29Å
277K77.4Confident80.6Confident95 Ų95100.3 Ų100.341%0.41353%0.532SS..  trans-101.1110.2176.8-115.9167.8179.1176.80109E252 D260 Y262 Y275E252-K277 IonicContact OE1-NZ 3.77Å; E252-K277 IonicContact OE2-NZ 2.66Å; E252-K277 PolarHBondContact OE2-NZ 2.82Å; D260-K277 PolarHBondContact O-N 3.06Å; Y262-K277 HydrophobicContact CD2-CB 3.88Å; Y262-K277 HydrophobicContact CD2-CD 3.99Å; Y262-K277 HydrophobicContact CD2-CG 4.37Å; Y262-K277 HydrophobicContact CE2-CB 3.62Å; Y262-K277 HydrophobicContact CE2-CD 3.79Å; Y262-K277 HydrophobicContact CE2-CG 4.29Å; Y262-K277 HydrophobicContact CG-CD 4.48Å; Y275-K277 HydrophobicContact CE2-CD 4.28Å; Y275-K277 HydrophobicContact CE2-CG 4.07Å
278M65.1Low80.7Confident250 Ų25098.6 Ų98.6100%1.23252%0.523SS*.  trans-79.30173.5-119.9-178.5-91.100112.6

Retrieved 278 of 278 residues in 497.4 ms (Link to these results)