A0A087Y8N0_POEFO Loading...

Leucine rich repeat containing 74A

AlphaFold DB , UniProt , Accession A0A087Y8N0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 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
1D36Very low36.6Very low199 Ų199157 Ų157100%1.06483%0.832SS**  089.50-55.7-11.9000107.6
2T33.3Very low37Very low116 Ų116149.8 Ų149.871%0.71282%0.824SS**  63.7106.288.354.10000109.4
3E35.4Very low37.6Very low178 Ų178153.5 Ų153.583%0.83283%0.827SS**  139153.688.9-103.3169.7175.200102.6
4S34.8Very low38.7Very low91 Ų91153.3 Ų153.364%0.63681%0.814SS**  cis-176.8138.84.345.40000102.6
5D36Very low39.8Very low172 Ų172156.8 Ų156.892%0.9282%0.82SS**  trans-159.893.6143-92.1-20.8000106.6
6Q37.6Very low41Very low177 Ų177153 Ų15383%0.82780%0.795SS**  trans-90.9165.2167.3-78.4-174.5-22.700109.7
7E36.2Very low42.1Very low172 Ų172148.4 Ų148.480%0.80478%0.778SS**  trans91.3119.4162.7-46.2-171.8163.100113
8L39.1Very low43.1Very low149 Ų149151.6 Ų151.678%0.7879%0.785SS**  cis-159.411339.2-74.7157.2000109.7
9E34.8Very low44.7Very low205 Ų205152.7 Ų152.796%0.95879%0.786SS**  trans-145.283.1151.1-78.3-158.6171.600109
10S40.2Very low46.7Very low115 Ų115147.9 Ų147.980%0.80476%0.761SS**  trans-91.297.3165.362.50000109.1
11D39.4Very low48.8Very low153 Ų153143.2 Ų143.282%0.81874%0.741SS**  trans-133.384.4161.6-152.616.3000111.6K13D11-K13 VanDerWaalsContact C-N 3.3Å; D11-K13 PolarHBondContact O-N 3.13Å
12G40.8Very low51.6Low71 Ų71135 Ų13573%0.73270%0.697SS**  63.4-8.6125.400000122.4K14G12-K14 PolarHBondContact O-N 2.95Å
13K44.8Very low54.5Low198 Ų198130 Ų13086%0.86167%0.667SS**  trans-84.875.7179.5-74.5-178.4-177.2170.90112.1D11 K15D11-K13 VanDerWaalsContact C-N 3.3Å; D11-K13 PolarHBondContact O-N 3.13Å; K13-K15 PolarHBondContact O-N 3.16Å; K13-K15 VanDerWaalsContact O-N 3.1Å
14K53.5Low57.4Low150 Ų150126 Ų12665%0.65265%0.648SS**  trans-60112.2160-93.2-177.2174.5-178.70108.5G12 F16G12-K14 PolarHBondContact O-N 2.95Å; K14-F16 PolarHBondContact O-N 2.93Å
15K55.2Low60.3Low206 Ų206122.8 Ų122.890%0.89663%0.625SS**  trans-69.3114.2173.7-77.4176.7175.31740109K13 S17K13-K15 PolarHBondContact O-N 3.16Å; K13-K15 VanDerWaalsContact O-N 3.1Å; K15-S17 PolarHBondContact O-N 3.09Å
16F58.8Low63.3Low96 Ų96114.6 Ų114.642%0.42158%0.581SS.*  trans-61.8130.6167.2-68.7-83.9000109.1K14 M20 V25 E28 I67K14-F16 PolarHBondContact O-N 2.93Å; F16-M20 HydrophobicContact CD1-SD 4.3Å; F16-V25 HydrophobicContact CD1-CG1 4.04Å; F16-V25 HydrophobicContact CD1-CG2 4.43Å; F16-V25 HydrophobicContact CE1-CG1 3.94Å; F16-E28 HydrophobicContact CE1-CB 4.15Å; F16-I67 HydrophobicContact CE1-CG2 4.48Å; F16-I67 HydrophobicContact CE2-CG2 4.06Å; F16-I67 HydrophobicContact CZ-CG2 3.72Å
17S59Low66.1Low74 Ų74109.7 Ų109.752%0.51756%0.56SS.*  trans-70.7143.6-179.3171.20000110.8K15 H19 M20K15-S17 PolarHBondContact O-N 3.09Å; S17-H19 PolarHBondContact O-N 3.48Å; S17-M20 PolarHBondContact O-N 3.38Å
18K61Low69.1Low206 Ų206105 Ų10590%0.89654%0.538SS*.THydrogen-bonded Turntrans-65.5-2.9-174.2-138.7179.6-174.3-177.20114.8
19H73.5Confident71.9Confident173 Ų17397.9 Ų97.980%0.80150%0.501SS*.THydrogen-bonded Turntrans-121.46.9-175.3-64.7-66.2000114.2S17S17-H19 PolarHBondContact O-N 3.48Å
20M84.5Confident74.9Confident57 Ų5788.1 Ų88.128%0.28146%0.455SS..  trans-72.1134.2180-66.4177.371.200110.8F16 S17 E24 V25 E28F16-M20 HydrophobicContact CD1-SD 4.3Å; S17-M20 PolarHBondContact O-N 3.38Å; M20-E24 VanDerWaalsContact CA-OE2 3.31Å; M20-E24 WeakPolarHBondContact CA-OE2 3.25Å; M20-E24 HydrophobicContact CB-CB 4.19Å; M20-E24 HydrophobicContact CE-CB 3.71Å; M20-V25 HydrophobicContact CB-CG2 3.75Å; M20-E28 HydrophobicContact CE-CB 4.43Å; M20-E28 HydrophobicContact CE-CG 3.84Å
21S91.2Very high77.7Confident50 Ų5089.7 Ų89.735%0.3545%0.448SS..  trans-65155.9166.171.40000110.1A23 E24 V25S21-A23 PolarHBondContact O-N 3.29Å; S21-E24 PolarHBondContact N-OE2 3.09Å; S21-E24 WeakPolarHBondContact O-CB 3.26Å; S21-E24 PolarHBondContact O-N 3.43Å; S21-E24 VanDerWaalsContact OG-CG 3.3Å; S21-E24 WeakPolarHBondContact OG-CG 3.38Å; S21-E24 PolarHBondContact OG-N 3.15Å; S21-E24 PolarHBondContact OG-OE2 3.24Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.37Å
22I94.1Very high80.4Confident26 Ų2687.6 Ų87.613%0.13344%0.436CS..Hα-helixtrans-57.7-33.3177.5-171.1174.6000112.7V25 Y26 F41 H45 A68 L69 D72I22-V25 PolarHBondContact O-N 3.42Å; I22-Y26 WeakPolarHBondContact O-CB 3.39Å; I22-Y26 PolarHBondContact O-N 3.38Å; I22-F41 HydrophobicContact CD1-CZ 3.98Å; I22-F41 HydrophobicContact CG1-CE1 4.33Å; I22-F41 HydrophobicContact CG1-CZ 4.05Å; I22-H45 HydrophobicContact CG2-CB 3.57Å; I22-H45 WeakPolarHBondContact CG2-ND1 3.34Å; I22-A68 HydrophobicContact CG1-CB 4.18Å; I22-L69 HydrophobicContact CD1-CD2 3.94Å; I22-D72 HydrophobicContact CD1-CB 3.68Å
23A95.2Very high83.1Confident11 Ų1185.3 Ų85.39%0.09141%0.408CS..Hα-helixtrans-63.8-41.8174.500000112.1S21 Y26 L27 I42S21-A23 PolarHBondContact O-N 3.29Å; A23-Y26 PolarHBondContact O-N 2.84Å; A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 VanDerWaalsContact O-CG 3.3Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.07Å; A23-I42 HydrophobicContact CB-CG2 4.17Å
24E95.8Very high85.7Confident94 Ų9479.2 Ų79.244%0.43940%0.401SS..Hα-helixtrans-67.8-41.2176.9-68.3167.2147.100111.2M20 S21 Y26 L27 E28M20-E24 VanDerWaalsContact CA-OE2 3.31Å; M20-E24 WeakPolarHBondContact CA-OE2 3.25Å; M20-E24 HydrophobicContact CB-CB 4.19Å; M20-E24 HydrophobicContact CE-CB 3.71Å; S21-E24 PolarHBondContact N-OE2 3.09Å; S21-E24 WeakPolarHBondContact O-CB 3.26Å; S21-E24 PolarHBondContact O-N 3.43Å; S21-E24 VanDerWaalsContact OG-CG 3.3Å; S21-E24 WeakPolarHBondContact OG-CG 3.38Å; S21-E24 PolarHBondContact OG-N 3.15Å; S21-E24 PolarHBondContact OG-OE2 3.24Å; E24-Y26 VanDerWaalsContact C-N 3.32Å; E24-Y26 PolarHBondContact O-N 3.13Å; E24-L27 PolarHBondContact O-N 3.34Å; E24-E28 PolarHBondContact O-N 2.99Å
25V96.3Very high87.8Confident23 Ų2373.8 Ų73.814%0.13938%0.38CS..Hα-helixtrans-60.5-44.5174.4178.70000110.4F16 M20 S21 I22 E28 A29 I67 A68F16-V25 HydrophobicContact CD1-CG1 4.04Å; F16-V25 HydrophobicContact CD1-CG2 4.43Å; F16-V25 HydrophobicContact CE1-CG1 3.94Å; M20-V25 HydrophobicContact CB-CG2 3.75Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.37Å; I22-V25 PolarHBondContact O-N 3.42Å; V25-E28 PolarHBondContact O-N 3.43Å; V25-A29 VanDerWaalsContact O-CB 3.26Å; V25-A29 WeakPolarHBondContact O-CB 3.45Å; V25-A29 PolarHBondContact O-N 3.4Å; V25-I67 HydrophobicContact CG1-CG2 4.29Å; V25-A68 HydrophobicContact CG1-CB 4.32Å
26Y97.6Very high89.8Confident1 Ų170.2 Ų70.20%0.00438%0.375CS..Hα-helixtrans-63.3-44.2177.1178.8-115.2000112.6I22 A23 E24 E28 A29 C30 P37 V38 F41 I42 A64 L65 A68I22-Y26 WeakPolarHBondContact O-CB 3.39Å; I22-Y26 PolarHBondContact O-N 3.38Å; A23-Y26 PolarHBondContact O-N 2.84Å; E24-Y26 VanDerWaalsContact C-N 3.32Å; E24-Y26 PolarHBondContact O-N 3.13Å; Y26-E28 PolarHBondContact O-N 2.86Å; Y26-A29 PolarHBondContact O-N 3.25Å; Y26-C30 WeakPolarHBondContact CE2-SG 3.48Å; Y26-C30 WeakPolarHBondContact O-CB 3.4Å; Y26-C30 PolarHBondContact O-N 3.3Å; Y26-C30 PolarHBondContact O-SG 2.92Å; Y26-P37 HydrophobicContact CD1-CB 4.49Å; Y26-P37 HydrophobicContact CE1-CB 3.94Å; Y26-V38 PolarHBondContact OH-N 3.16Å; Y26-F41 VanDerWaalsContact CB-CE1 3.49Å; Y26-F41 HydrophobicContact CD1-CB 4.43Å; Y26-F41 AromaticContact CD1-CD1 3.31Å; Y26-F41 HydrophobicContact CD1-CD1 3.31Å; Y26-F41 AromaticContact CD1-CE1 3.86Å; Y26-F41 HydrophobicContact CD1-CE1 3.86Å; Y26-F41 HydrophobicContact CD1-CG 4.12Å; Y26-F41 HydrophobicContact CD2-CD1 4.15Å; Y26-F41 HydrophobicContact CD2-CE1 4.11Å; Y26-F41 HydrophobicContact CE1-CB 4.05Å; Y26-F41 AromaticContact CE1-CD1 3.78Å; Y26-F41 HydrophobicContact CE1-CD1 3.78Å; Y26-F41 HydrophobicContact CE1-CG 4.13Å; Y26-F41 AromaticContact CG-CD1 3.51Å; Y26-F41 HydrophobicContact CG-CD1 3.51Å; Y26-F41 AromaticContact CG-CE1 3.55Å; Y26-F41 HydrophobicContact CG-CE1 3.55Å; Y26-F41 HydrophobicContact CG-CG 4.42Å; Y26-F41 HydrophobicContact CG-CZ 4.45Å; Y26-I42 HydrophobicContact CD1-CG1 4.06Å; Y26-I42 HydrophobicContact CE1-CG1 4.4Å; Y26-A64 HydrophobicContact CD2-CB 4.39Å; Y26-A64 HydrophobicContact CE2-CB 4.06Å; Y26-L65 HydrophobicContact CD2-CD2 4.04Å; Y26-L65 HydrophobicContact CE2-CD2 3.51Å; Y26-L65 HydrophobicContact CE2-CG 3.78Å; Y26-A68 HydrophobicContact CD2-CB 4.2Å; Y26-A68 HydrophobicContact CG-CB 4.44Å
27L97.9Very high91.7Very high74 Ų7467.7 Ų67.739%0.38737%0.369SS..Hα-helixtrans-60-45.5176.6-76.8171.4000112.1A23 E24 C30 K31 P37 I42A23-L27 WeakPolarHBondContact O-CB 3.39Å; A23-L27 VanDerWaalsContact O-CG 3.3Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.07Å; E24-L27 PolarHBondContact O-N 3.34Å; L27-C30 PolarHBondContact O-N 3.22Å; L27-K31 PolarHBondContact O-N 2.72Å; L27-P37 HydrophobicContact CD2-CB 3.8Å; L27-P37 HydrophobicContact CD2-CG 3.65Å; L27-I42 HydrophobicContact CD1-CD1 4.45Å; L27-I42 HydrophobicContact CD2-CD1 3.54Å; L27-I42 HydrophobicContact CG-CD1 4.02Å
28E97.7Very high93.5Very high72 Ų7264.9 Ų64.934%0.33635%0.349SS..Hα-helixtrans-67.1-37.6175.6-75.7-59.8138.700112.1F16 M20 E24 V25 Y26 K31 L32F16-E28 HydrophobicContact CE1-CB 4.15Å; M20-E28 HydrophobicContact CE-CB 4.43Å; M20-E28 HydrophobicContact CE-CG 3.84Å; E24-E28 PolarHBondContact O-N 2.99Å; V25-E28 PolarHBondContact O-N 3.43Å; Y26-E28 PolarHBondContact O-N 2.86Å; E28-K31 PolarHBondContact O-N 2.88Å; E28-L32 WeakPolarHBondContact O-CB 3.2Å; E28-L32 PolarHBondContact O-N 2.92Å
29A98Very high95.3Very high0 Ų058.2 Ų58.20%033%0.328CS..Hα-helixtrans-63.8-43.3175.300000111.6V25 Y26 K31 L32 V33 A64 I67V25-A29 VanDerWaalsContact O-CB 3.26Å; V25-A29 WeakPolarHBondContact O-CB 3.45Å; V25-A29 PolarHBondContact O-N 3.4Å; Y26-A29 PolarHBondContact O-N 3.25Å; A29-K31 VanDerWaalsContact C-N 3.34Å; A29-K31 PolarHBondContact O-N 3.42Å; A29-L32 WeakPolarHBondContact O-CB 3.03Å; A29-L32 PolarHBondContact O-N 3.15Å; A29-V33 WeakPolarHBondContact O-CG2 3.38Å; A29-V33 PolarHBondContact O-N 3.2Å; A29-A64 HydrophobicContact CB-CB 4.1Å; A29-I67 HydrophobicContact CB-CB 3.92Å; A29-I67 HydrophobicContact CB-CD1 4.13Å; A29-I67 HydrophobicContact CB-CG2 3.79Å
30C98.3Very high96.4Very high0 Ų054.4 Ų54.40%031%0.307CS..Hα-helixtrans-59.7-44174.3-74.50000111.9Y26 L27 L32 V33 G34 V35 P37Y26-C30 WeakPolarHBondContact CE2-SG 3.48Å; Y26-C30 WeakPolarHBondContact O-CB 3.4Å; Y26-C30 PolarHBondContact O-N 3.3Å; Y26-C30 PolarHBondContact O-SG 2.92Å; L27-C30 PolarHBondContact O-N 3.22Å; C30-L32 VanDerWaalsContact C-N 3.35Å; C30-V33 PolarHBondContact O-N 3.36Å; C30-G34 PolarHBondContact O-N 2.91Å; C30-V35 HydrophobicContact CB-CG2 3.93Å; C30-V35 PolarHBondContact O-N 3.4Å; C30-P37 HydrophobicContact CB-CB 4.22Å; C30-P37 HydrophobicContact CB-CG 3.7Å
31K98.3Very high97Very high149 Ų14951.7 Ų51.765%0.64829%0.293SS*.Hα-helixtrans-62.2-42175.2-174.5-179.9-178.4177.20112L27 E28 A29L27-K31 PolarHBondContact O-N 2.72Å; E28-K31 PolarHBondContact O-N 2.88Å; A29-K31 VanDerWaalsContact C-N 3.34Å; A29-K31 PolarHBondContact O-N 3.42Å
32L97.9Very high97.3Very high109 Ų10951.7 Ų51.757%0.57129%0.289SS*.Hα-helixtrans-62.8-42.1179.4178.566.8000112.2E28 A29 C30E28-L32 WeakPolarHBondContact O-CB 3.2Å; E28-L32 PolarHBondContact O-N 2.92Å; A29-L32 WeakPolarHBondContact O-CB 3.03Å; A29-L32 PolarHBondContact O-N 3.15Å; C30-L32 VanDerWaalsContact C-N 3.35Å
33V97.7Very high97.4Very high23 Ų2359.8 Ų59.814%0.13932%0.318CS..Hα-helixtrans-95.92.5-176.4-50.20000113.5A29 C30 V35 L60 K63 A64 I67A29-V33 WeakPolarHBondContact O-CG2 3.38Å; A29-V33 PolarHBondContact O-N 3.2Å; C30-V33 PolarHBondContact O-N 3.36Å; V33-V35 HydrophobicContact CG2-CB 4.4Å; V33-V35 HydrophobicContact CG2-CG1 4.1Å; V33-V35 HydrophobicContact CG2-CG2 3.59Å; V33-L60 HydrophobicContact CG2-CB 4.33Å; V33-L60 WeakPolarHBondContact CG2-O 3.29Å; V33-K63 HydrophobicContact CG1-CD 3.85Å; V33-K63 HydrophobicContact CG1-CG 4.18Å; V33-A64 HydrophobicContact CG2-CB 3.91Å; V33-I67 HydrophobicContact CG1-CD1 4.49Å
34G97.7Very high97.4Very high70 Ų7061.9 Ų61.972%0.72233%0.327SS*.THydrogen-bonded Turntrans72.735173.600000114.9C30C30-G34 PolarHBondContact O-N 2.91Å
35V98.1Very high97.2Very high36 Ų3659.5 Ų59.522%0.21832%0.317CS..  trans-117.9154.3179.6-61.20000112.3C30 V33 P37 L60 A64C30-V35 HydrophobicContact CB-CG2 3.93Å; C30-V35 PolarHBondContact O-N 3.4Å; V33-V35 HydrophobicContact CG2-CB 4.4Å; V33-V35 HydrophobicContact CG2-CG1 4.1Å; V33-V35 HydrophobicContact CG2-CG2 3.59Å; V35-P37 WeakPolarHBondContact O-CD 3.33Å; V35-L60 HydrophobicContact CG1-CB 3.5Å; V35-L60 VanDerWaalsContact CG1-CB 3.5Å; V35-A64 HydrophobicContact CG2-CB 4.16Å
36V97.5Very high97Very high130 Ų13062.4 Ų62.479%0.78834%0.338SS*.  trans-75.6124.9174.9-1790000109.3
37P97.8Very high96.9Very high43 Ų4364.4 Ų64.428%0.27935%0.352SS..  trans-63.9138178.5-17.727.6000112.4Y26 L27 C30 V35 S39 I42Y26-P37 HydrophobicContact CD1-CB 4.49Å; Y26-P37 HydrophobicContact CE1-CB 3.94Å; L27-P37 HydrophobicContact CD2-CB 3.8Å; L27-P37 HydrophobicContact CD2-CG 3.65Å; C30-P37 HydrophobicContact CB-CB 4.22Å; C30-P37 HydrophobicContact CB-CG 3.7Å; V35-P37 WeakPolarHBondContact O-CD 3.33Å; P37-S39 PolarHBondContact O-N 3.14Å; P37-I42 HydrophobicContact CB-CD1 4.1Å
38V98Very high96.9Very high16 Ų1664.2 Ų64.210%0.09736%0.355CS..  trans-76.7110.2172.9177.20000109.8Y26 Y40 F41 L52 H55 L57Y26-V38 PolarHBondContact OH-N 3.16Å; V38-Y40 PolarHBondContact O-N 3.48Å; V38-Y40 VanDerWaalsContact O-N 3.12Å; V38-F41 WeakPolarHBondContact O-CB 3.34Å; V38-F41 PolarHBondContact O-N 3.3Å; V38-F41 VanDerWaalsContact O-N 3.09Å; V38-L52 HydrophobicContact CG1-CD2 3.88Å; V38-H55 HydrophobicContact CG1-CB 4.47Å; V38-H55 WeakPolarHBondContact CG1-CD2 3.38Å; V38-H55 HydrophobicContact CG2-CB 4.14Å; V38-L57 HydrophobicContact CG2-CD2 3.6Å
39S97.4Very high96.9Very high65 Ų6563.3 Ų63.346%0.45535%0.354SS..Hα-helixtrans-61.7-23.7-177.9-48.10000113.9P37 R43P37-S39 PolarHBondContact O-N 3.14Å; S39-R43 WeakPolarHBondContact O-CG 3.41Å; S39-R43 PolarHBondContact O-N 3.41Å; S39-R43 PolarHBondContact O-NE 3.24Å
40Y97.8Very high96.9Very high93 Ų9363.3 Ų63.337%0.36535%0.354SS..Hα-helixtrans-66.1-41.9175.5-172.5-88.6000111.6V38 I42 R43 N44 M50 T51 L52V38-Y40 PolarHBondContact O-N 3.48Å; V38-Y40 VanDerWaalsContact O-N 3.12Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 3.08Å; Y40-R43 PolarHBondContact O-N 3.31Å; Y40-N44 HydrophobicContact CD1-CB 4.35Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.39Å; Y40-N44 HydrophobicContact CE1-CB 4Å; Y40-N44 VanDerWaalsContact CE2-ND2 3.34Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.33Å; Y40-N44 WeakPolarHBondContact O-CB 3.44Å; Y40-N44 PolarHBondContact O-N 3.02Å; Y40-N44 PolarHBondContact O-ND2 3.24Å; Y40-M50 HydrophobicContact CD1-SD 4.19Å; Y40-M50 HydrophobicContact CE1-SD 4.3Å; Y40-T51 WeakPolarHBondContact CD1-O 3.4Å; Y40-T51 VanDerWaalsContact CE1-O 3.23Å; Y40-T51 WeakPolarHBondContact CE1-O 3.41Å; Y40-L52 HydrophobicContact CD1-CD2 3.91Å
41F97.8Very high96.8Very high0 Ų065.4 Ų65.40%037%0.367CS..Hα-helixtrans-58.5-48.4176.2-180-89.9000110.8I22 Y26 V38 R43 N44 H45 M50 L52 L65 A68 L69 I75I22-F41 HydrophobicContact CD1-CZ 3.98Å; I22-F41 HydrophobicContact CG1-CE1 4.33Å; I22-F41 HydrophobicContact CG1-CZ 4.05Å; Y26-F41 VanDerWaalsContact CB-CE1 3.49Å; Y26-F41 HydrophobicContact CD1-CB 4.43Å; Y26-F41 AromaticContact CD1-CD1 3.31Å; Y26-F41 HydrophobicContact CD1-CD1 3.31Å; Y26-F41 AromaticContact CD1-CE1 3.86Å; Y26-F41 HydrophobicContact CD1-CE1 3.86Å; Y26-F41 HydrophobicContact CD1-CG 4.12Å; Y26-F41 HydrophobicContact CD2-CD1 4.15Å; Y26-F41 HydrophobicContact CD2-CE1 4.11Å; Y26-F41 HydrophobicContact CE1-CB 4.05Å; Y26-F41 AromaticContact CE1-CD1 3.78Å; Y26-F41 HydrophobicContact CE1-CD1 3.78Å; Y26-F41 HydrophobicContact CE1-CG 4.13Å; Y26-F41 AromaticContact CG-CD1 3.51Å; Y26-F41 HydrophobicContact CG-CD1 3.51Å; Y26-F41 AromaticContact CG-CE1 3.55Å; Y26-F41 HydrophobicContact CG-CE1 3.55Å; Y26-F41 HydrophobicContact CG-CG 4.42Å; Y26-F41 HydrophobicContact CG-CZ 4.45Å; V38-F41 WeakPolarHBondContact O-CB 3.34Å; V38-F41 PolarHBondContact O-N 3.3Å; V38-F41 VanDerWaalsContact O-N 3.09Å; F41-R43 VanDerWaalsContact C-N 3.25Å; F41-R43 PolarHBondContact O-N 3.41Å; F41-N44 PolarHBondContact O-N 3.3Å; F41-N44 VanDerWaalsContact O-N 3.17Å; F41-H45 HydrophobicContact CE1-CB 4.36Å; F41-H45 WeakPolarHBondContact O-CB 3.3Å; F41-H45 PolarHBondContact O-N 3.35Å; F41-M50 HydrophobicContact CB-SD 4.37Å; F41-M50 HydrophobicContact CD2-CE 3.65Å; F41-M50 HydrophobicContact CD2-CG 4.02Å; F41-M50 HydrophobicContact CD2-SD 3.78Å; F41-M50 HydrophobicContact CE2-CE 4.08Å; F41-M50 HydrophobicContact CE2-CG 4.43Å; F41-M50 HydrophobicContact CG-CE 4.28Å; F41-M50 HydrophobicContact CG-SD 4.46Å; F41-L52 HydrophobicContact CB-CD2 4.24Å; F41-L52 HydrophobicContact CD2-CD1 4.26Å; F41-L65 HydrophobicContact CD2-CD2 3.5Å; F41-L65 VanDerWaalsContact CD2-CD2 3.5Å; F41-L65 HydrophobicContact CE2-CD2 3.66Å; F41-L65 HydrophobicContact CG-CD2 4.02Å; F41-L65 HydrophobicContact CZ-CD2 4.32Å; F41-A68 HydrophobicContact CE1-CB 4.49Å; F41-A68 HydrophobicContact CZ-CB 4.26Å; F41-L69 HydrophobicContact CE2-CD2 4.09Å; F41-L69 HydrophobicContact CE2-CG 4.41Å; F41-L69 HydrophobicContact CZ-CD2 4.25Å; F41-I75 HydrophobicContact CE2-CD1 4.35Å
42I96.8Very high96.8Very high51 Ų5158.3 Ų58.326%0.26234%0.336SS..Hα-helixtrans-60.1-35.8180-60.6167.8000111.8A23 Y26 L27 P37 Y40 H45A23-I42 HydrophobicContact CB-CG2 4.17Å; Y26-I42 HydrophobicContact CD1-CG1 4.06Å; Y26-I42 HydrophobicContact CE1-CG1 4.4Å; L27-I42 HydrophobicContact CD1-CD1 4.45Å; L27-I42 HydrophobicContact CD2-CD1 3.54Å; L27-I42 HydrophobicContact CG-CD1 4.02Å; P37-I42 HydrophobicContact CB-CD1 4.1Å; Y40-I42 VanDerWaalsContact C-N 3.34Å; Y40-I42 PolarHBondContact O-N 3.08Å; I42-H45 PolarHBondContact O-CD2 3.16Å
43R96.5Very high96.8Very high196 Ų19654.8 Ų54.874%0.7432%0.32SS*.Hα-helixtrans-81.5-22.1-179.3-74.7-177.4-102.7176.7-10.1113.8S39 Y40 F41S39-R43 WeakPolarHBondContact O-CG 3.41Å; S39-R43 PolarHBondContact O-N 3.41Å; S39-R43 PolarHBondContact O-NE 3.24Å; Y40-R43 PolarHBondContact O-N 3.31Å; F41-R43 VanDerWaalsContact C-N 3.25Å; F41-R43 PolarHBondContact O-N 3.41Å
44N95.4Very high96.7Very high54 Ų5461.3 Ų61.329%0.28934%0.343SS..Hα-helixtrans-125.311.8-168.4-61.4-80.6000114.1Y40 F41 S46 S47 M50Y40-N44 HydrophobicContact CD1-CB 4.35Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.39Å; Y40-N44 HydrophobicContact CE1-CB 4Å; Y40-N44 VanDerWaalsContact CE2-ND2 3.34Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.33Å; Y40-N44 WeakPolarHBondContact O-CB 3.44Å; Y40-N44 PolarHBondContact O-N 3.02Å; Y40-N44 PolarHBondContact O-ND2 3.24Å; F41-N44 PolarHBondContact O-N 3.3Å; F41-N44 VanDerWaalsContact O-N 3.17Å; N44-S46 PolarHBondContact O-N 3.44Å; N44-S47 VanDerWaalsContact O-CB 3.24Å; N44-S47 WeakPolarHBondContact O-CB 3.36Å; N44-S47 PolarHBondContact O-N 3.41Å; N44-M50 HydrophobicContact CB-CE 4.28Å; N44-M50 WeakPolarHBondContact O-CE 3.36Å
45H91.3Very high96.7Very high45 Ų4561.8 Ų61.821%0.20833%0.326CS..THydrogen-bonded Turntrans-62.4-15.1-174.767.472000115I22 F41 I42 M50I22-H45 HydrophobicContact CG2-CB 3.57Å; I22-H45 WeakPolarHBondContact CG2-ND1 3.34Å; F41-H45 HydrophobicContact CE1-CB 4.36Å; F41-H45 WeakPolarHBondContact O-CB 3.3Å; F41-H45 PolarHBondContact O-N 3.35Å; I42-H45 PolarHBondContact O-CD2 3.16Å; H45-M50 HydrophobicContact CB-CE 4.43Å
46S91.6Very high96.6Very high84 Ų8462.7 Ų62.759%0.58734%0.343SS*.THydrogen-bonded Turntrans-86.7-8.4174.5-61.30000113.4N44N44-S46 PolarHBondContact O-N 3.44Å
47S95.4Very high96.6Very high43 Ų4357.3 Ų57.330%0.30131%0.309SS..SBendtrans-72.1139176.2177.20000110.6N44 T49 I75N44-S47 VanDerWaalsContact O-CB 3.24Å; N44-S47 WeakPolarHBondContact O-CB 3.36Å; N44-S47 PolarHBondContact O-N 3.41Å; S47-T49 WeakPolarHBondContact CB-O 3.41Å; S47-T49 PolarHBondContact O-N 3.42Å; S47-T49 PolarHBondContact OG-N 3.07Å; S47-T49 VanDerWaalsContact OG-N 3.16Å; S47-T49 PolarHBondContact OG-O 3.03Å; S47-I75 WeakPolarHBondContact O-CG1 3.32Å
48P97.1Very high96.6Very high70 Ų7056 Ų5646%0.45530%0.303SS..SBendtrans-66.4-15.917229.3-35.6000113H74 R76 T77P48-H74 WeakPolarHBondContact CA-O 3.45Å; P48-R76 PolarHBondContact O-N 2.84Å; P48-T77 PolarHBondContact O-N 3.47Å
49T97.9Very high96.6Very high52 Ų5256.1 Ų56.132%0.31931%0.305SS..EExtended strand (participates in β ladder)trans-119.3118.6176.9-57.90000109.5S47 T77S47-T49 WeakPolarHBondContact CB-O 3.41Å; S47-T49 PolarHBondContact O-N 3.42Å; S47-T49 PolarHBondContact OG-N 3.07Å; S47-T49 VanDerWaalsContact OG-N 3.16Å; S47-T49 PolarHBondContact OG-O 3.03Å; T49-T77 WeakPolarHBondContact CA-O 3.36Å; T49-T77 HydrophobicContact CG2-CG2 3.98Å
50M98.1Very high96.7Very high0 Ų056.5 Ų56.50%030%0.301CS..EExtended strand (participates in β ladder)trans-109.1101.2177.8-179.255.566.700109.8Y40 F41 N44 H45 L52 I75 T77 L78 E79Y40-M50 HydrophobicContact CD1-SD 4.19Å; Y40-M50 HydrophobicContact CE1-SD 4.3Å; F41-M50 HydrophobicContact CB-SD 4.37Å; F41-M50 HydrophobicContact CD2-CE 3.65Å; F41-M50 HydrophobicContact CD2-CG 4.02Å; F41-M50 HydrophobicContact CD2-SD 3.78Å; F41-M50 HydrophobicContact CE2-CE 4.08Å; F41-M50 HydrophobicContact CE2-CG 4.43Å; F41-M50 HydrophobicContact CG-CE 4.28Å; F41-M50 HydrophobicContact CG-SD 4.46Å; N44-M50 HydrophobicContact CB-CE 4.28Å; N44-M50 WeakPolarHBondContact O-CE 3.36Å; H45-M50 HydrophobicContact CB-CE 4.43Å; M50-L52 HydrophobicContact CG-CD1 4Å; M50-L52 HydrophobicContact CG-CD2 4.43Å; M50-L52 HydrophobicContact CG-CG 3.92Å; M50-L52 HydrophobicContact SD-CD1 4.35Å; M50-L52 HydrophobicContact SD-CD2 3.84Å; M50-L52 HydrophobicContact SD-CG 4Å; M50-I75 HydrophobicContact CB-CD1 3.99Å; M50-I75 HydrophobicContact CB-CG1 4.25Å; M50-I75 HydrophobicContact CB-CG2 3.98Å; M50-I75 HydrophobicContact CE-CD1 4.07Å; M50-I75 HydrophobicContact CG-CD1 4.38Å; M50-T77 PolarHBondContact N-O 2.83Å; M50-L78 HydrophobicContact CB-CD1 4.02Å; M50-L78 HydrophobicContact CG-CD1 3.94Å; M50-E79 PolarHBondContact O-N 3.41Å
51T97.6Very high96.7Very high44 Ų4452.2 Ų52.227%0.2729%0.286SS..EExtended strand (participates in β ladder)trans-95.7109.3178.7-560000111.1Y40 E79Y40-T51 WeakPolarHBondContact CD1-O 3.4Å; Y40-T51 VanDerWaalsContact CE1-O 3.23Å; Y40-T51 WeakPolarHBondContact CE1-O 3.41Å; T51-E79 WeakPolarHBondContact CB-OE2 3.41Å; T51-E79 HydrophobicContact CG2-CB 4.45Å; T51-E79 WeakPolarHBondContact CG2-OE2 3.43Å; T51-E79 PolarHBondContact OG1-OE2 2.84Å
52L97.9Very high96.7Very high0 Ų052.2 Ų52.20%029%0.286CS..  trans-119.426.2179.1-58.8175.7000112.1V38 Y40 F41 M50 H55 L57 L65 E79 L80 N83V38-L52 HydrophobicContact CG1-CD2 3.88Å; Y40-L52 HydrophobicContact CD1-CD2 3.91Å; F41-L52 HydrophobicContact CB-CD2 4.24Å; F41-L52 HydrophobicContact CD2-CD1 4.26Å; M50-L52 HydrophobicContact CG-CD1 4Å; M50-L52 HydrophobicContact CG-CD2 4.43Å; M50-L52 HydrophobicContact CG-CG 3.92Å; M50-L52 HydrophobicContact SD-CD1 4.35Å; M50-L52 HydrophobicContact SD-CD2 3.84Å; M50-L52 HydrophobicContact SD-CG 4Å; L52-H55 WeakPolarHBondContact CA-ND1 2.97Å; L52-H55 PolarHBondContact O-N 2.85Å; L52-H55 PolarHBondContact O-ND1 2.84Å; L52-L57 HydrophobicContact CB-CD1 4.37Å; L52-L57 HydrophobicContact CD1-CD1 4.49Å; L52-L65 HydrophobicContact CD1-CD1 3.61Å; L52-L65 HydrophobicContact CD1-CD2 3.75Å; L52-L65 HydrophobicContact CD1-CG 4.36Å; L52-E79 CarbonylContact C-O 3.55Å; L52-E79 WeakPolarHBondContact CA-O 3.44Å; L52-E79 PolarHBondContact N-O 2.96Å; L52-L80 HydrophobicContact CB-CD2 4.03Å; L52-L80 HydrophobicContact CD1-CD2 4.07Å; L52-N83 PolarHBondContact O-ND2 2.93Å; L52-N83 PolarHBondContact O-OD1 3.23Å
53T96.8Very high96.8Very high36 Ų3653.2 Ų53.222%0.22129%0.288CS..THydrogen-bonded Turntrans-56.9138.3177.1-46.60000111.8H55 A81 Y82T53-H55 VanDerWaalsContact C-N 3.34Å; T53-H55 PolarHBondContact O-CE1 3.1Å; T53-H55 PolarHBondContact O-N 3.41Å; T53-H55 PolarHBondContact O-ND1 2.95Å; T53-A81 VanDerWaalsContact CA-O 3.26Å; T53-A81 WeakPolarHBondContact CA-O 3.39Å; T53-A81 HydrophobicContact CG2-CB 3.99Å; T53-A81 VanDerWaalsContact CG2-O 3.29Å; T53-A81 WeakPolarHBondContact CG2-O 3.23Å; T53-Y82 HydrophobicContact CG2-CD2 4.2Å
54Y96.7Very high96.9Very high160 Ų16043.9 Ų43.963%0.62725%0.253SS*.THydrogen-bonded Turntrans62.226178.2-58.5-72.8000116.6A81 Y82Y54-A81 PolarHBondContact N-O 2.71Å; Y54-A81 VanDerWaalsContact N-O 3.16Å; Y54-Y82 HydrophobicContact CD1-CD1 4.46Å; Y54-Y82 HydrophobicContact CD1-CD2 4.46Å; Y54-Y82 AromaticContact CD1-CG 3.9Å; Y54-Y82 HydrophobicContact CD1-CG 3.9Å; Y54-Y82 AromaticContact CE1-CD1 3.61Å; Y54-Y82 HydrophobicContact CE1-CD1 3.61Å; Y54-Y82 AromaticContact CE1-CD2 3.67Å; Y54-Y82 HydrophobicContact CE1-CD2 3.67Å; Y54-Y82 HydrophobicContact CE1-CE1 4.29Å; Y54-Y82 HydrophobicContact CE1-CE2 4.35Å; Y54-Y82 AromaticContact CE1-CG 3.24Å; Y54-Y82 HydrophobicContact CE1-CG 3.24Å; Y54-Y82 HydrophobicContact CE2-CD2 4.09Å; Y54-Y82 HydrophobicContact CE2-CG 4.45Å; Y54-Y82 AromaticContact CZ-CD2 3.43Å; Y54-Y82 VanDerWaalsContact CZ-CD2 3.43Å; Y54-Y82 AromaticContact CZ-CE2 3.86Å; Y54-Y82 AromaticContact CZ-CG 3.56Å; Y54-Y82 WeakPolarHBondContact OH-CD2 3.27Å; Y54-Y82 VanDerWaalsContact OH-CE2 3.24Å; Y54-Y82 WeakPolarHBondContact OH-CE2 3.16Å
55H97.3Very high97Very high80 Ų8041.3 Ų41.337%0.3724%0.239SC..SBendtrans-92.9-2.2179.2-73.678.2000114.4V38 L52 T53 L57 N83V38-H55 HydrophobicContact CG1-CB 4.47Å; V38-H55 WeakPolarHBondContact CG1-CD2 3.38Å; V38-H55 HydrophobicContact CG2-CB 4.14Å; L52-H55 WeakPolarHBondContact CA-ND1 2.97Å; L52-H55 PolarHBondContact O-N 2.85Å; L52-H55 PolarHBondContact O-ND1 2.84Å; T53-H55 VanDerWaalsContact C-N 3.34Å; T53-H55 PolarHBondContact O-CE1 3.1Å; T53-H55 PolarHBondContact O-N 3.41Å; T53-H55 PolarHBondContact O-ND1 2.95Å; H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 HydrophobicContact CB-CG 4.39Å; H55-L57 PolarHBondContact O-N 2.83Å; H55-N83 WeakPolarHBondContact CA-OD1 3.21Å; H55-N83 PolarHBondContact N-OD1 2.93Å
56G96Very high97.4Very high55 Ų5539.6 Ų39.657%0.56723%0.232SC*.  trans61.734.6176.900000113.7G58 N83G56-G58 VanDerWaalsContact C-N 3.26Å; G56-G58 PolarHBondContact O-N 3.48Å; G56-N83 PolarHBondContact N-OD1 2.77Å
57L97.4Very high97.7Very high16 Ų1638 Ų388%0.08422%0.217CC..  trans-52.9-41.5-174.9-65.1165.8000113.2V38 L52 H55 G61 L65 L80 N83V38-L57 HydrophobicContact CG2-CD2 3.6Å; L52-L57 HydrophobicContact CB-CD1 4.37Å; L52-L57 HydrophobicContact CD1-CD1 4.49Å; H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 HydrophobicContact CB-CG 4.39Å; H55-L57 PolarHBondContact O-N 2.83Å; L57-G61 WeakPolarHBondContact O-CA 3.22Å; L57-G61 PolarHBondContact O-N 3.45Å; L57-L65 HydrophobicContact CD1-CD1 3.48Å; L57-L65 VanDerWaalsContact CD1-CD1 3.48Å; L57-L65 HydrophobicContact CD2-CD1 3.78Å; L57-L65 HydrophobicContact CG-CD1 4.25Å; L57-L80 HydrophobicContact CD1-CD2 3.84Å; L57-N83 HydrophobicContact CB-CB 4.08Å; L57-N83 HydrophobicContact CD1-CB 4.05Å; L57-N83 HydrophobicContact CG-CB 4.23Å; L57-N83 WeakPolarHBondContact CG-OD1 3.42Å; L57-N83 PolarHBondContact N-O 3.23Å; L57-N83 PolarHBondContact N-OD1 3.22Å
58G98.1Very high97.7Very high15 Ų1536.4 Ų36.416%0.15521%0.206CC..Hα-helixtrans62.2-178.1-170.100000113.1G56 L60 G61 C62 N83 R84G56-G58 VanDerWaalsContact C-N 3.26Å; G56-G58 PolarHBondContact O-N 3.48Å; G58-L60 VanDerWaalsContact C-N 3.35Å; G58-L60 PolarHBondContact O-N 2.67Å; G58-G61 PolarHBondContact O-N 2.88Å; G58-C62 PolarHBondContact O-N 3.26Å; G58-C62 VanDerWaalsContact O-N 3.1Å; G58-C62 PolarHBondContact O-SG 3.04Å; G58-N83 PolarHBondContact N-O 2.68Å; G58-R84 WeakPolarHBondContact CA-O 3.37Å
59P98.6Very high97.7Very high20 Ų2033 Ų3313%0.1318%0.184CC..Hα-helixtrans-57.1-44.2177.8-27.434.9000113.7C62 K63 Q86 E88 Y92P59-C62 WeakPolarHBondContact O-CB 3.29Å; P59-C62 PolarHBondContact O-N 3.36Å; P59-K63 PolarHBondContact O-N 2.95Å; P59-Q86 HydrophobicContact CG-CB 4.27Å; P59-E88 HydrophobicContact CB-CB 3.98Å; P59-E88 HydrophobicContact CB-CG 4.22Å; P59-E88 HydrophobicContact CG-CB 4.32Å; P59-Y92 WeakPolarHBondContact O-CD2 3.43Å
60L98.6Very high97.5Very high73 Ų7333.2 Ų33.238%0.38219%0.185SC..Hα-helixtrans-74.1-34.3-176.6-62.6179.9000112.8V33 V35 G58 C62 K63 A64V33-L60 HydrophobicContact CG2-CB 4.33Å; V33-L60 WeakPolarHBondContact CG2-O 3.29Å; V35-L60 HydrophobicContact CG1-CB 3.5Å; V35-L60 VanDerWaalsContact CG1-CB 3.5Å; G58-L60 VanDerWaalsContact C-N 3.35Å; G58-L60 PolarHBondContact O-N 2.67Å; L60-C62 VanDerWaalsContact C-N 3.3Å; L60-K63 HydrophobicContact CD2-CD 4.45Å; L60-K63 WeakPolarHBondContact O-CB 3.44Å; L60-K63 PolarHBondContact O-N 2.93Å; L60-A64 PolarHBondContact O-N 3.33Å
61G98.4Very high97.1Very high3 Ų338.3 Ų38.33%0.03122%0.22CC..Hα-helixtrans-63.9-38.8170.800000111.6L57 G58 A64 L65L57-G61 WeakPolarHBondContact O-CA 3.22Å; L57-G61 PolarHBondContact O-N 3.45Å; G58-G61 PolarHBondContact O-N 2.88Å; G61-A64 PolarHBondContact O-N 3.06Å; G61-L65 WeakPolarHBondContact O-CG 3.32Å; G61-L65 PolarHBondContact O-N 3.11Å
62C98.1Very high96.9Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-64.3-38.2171.3-73.20000112.6G58 P59 L60 L65 A66 V85G58-C62 PolarHBondContact O-N 3.26Å; G58-C62 VanDerWaalsContact O-N 3.1Å; G58-C62 PolarHBondContact O-SG 3.04Å; P59-C62 WeakPolarHBondContact O-CB 3.29Å; P59-C62 PolarHBondContact O-N 3.36Å; L60-C62 VanDerWaalsContact C-N 3.3Å; C62-L65 PolarHBondContact O-N 3.28Å; C62-A66 VanDerWaalsContact O-CB 3.3Å; C62-A66 WeakPolarHBondContact O-CB 3.25Å; C62-A66 PolarHBondContact O-N 2.92Å; C62-V85 HydrophobicContact CB-CG1 4.4Å; C62-V85 WeakPolarHBondContact SG-CG2 3.48Å
63K98.6Very high96.7Very high72 Ų7241.5 Ų41.531%0.31324%0.239SC..Hα-helixtrans-59.5-46.6172.7-168.5176.4-173.5167.80111.9V33 P59 L60 A66 I67 Y92V33-K63 HydrophobicContact CG1-CD 3.85Å; V33-K63 HydrophobicContact CG1-CG 4.18Å; P59-K63 PolarHBondContact O-N 2.95Å; L60-K63 HydrophobicContact CD2-CD 4.45Å; L60-K63 WeakPolarHBondContact O-CB 3.44Å; L60-K63 PolarHBondContact O-N 2.93Å; K63-A66 PolarHBondContact O-N 2.67Å; K63-I67 HydrophobicContact CG-CD1 4.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.46Å; K63-I67 PolarHBondContact O-N 3.02Å; K63-Y92 HydrophobicContact CB-CD1 4.31Å; K63-Y92 HydrophobicContact CB-CD2 3.57Å; K63-Y92 HydrophobicContact CB-CE1 4.47Å; K63-Y92 HydrophobicContact CB-CE2 3.79Å; K63-Y92 HydrophobicContact CB-CG 3.88Å; K63-Y92 HydrophobicContact CD-CD1 4.22Å; K63-Y92 HydrophobicContact CD-CD2 4.44Å; K63-Y92 HydrophobicContact CD-CE1 3.71Å; K63-Y92 HydrophobicContact CD-CE2 3.98Å; K63-Y92 HydrophobicContact CG-CD1 3.9Å; K63-Y92 HydrophobicContact CG-CD2 4.06Å; K63-Y92 HydrophobicContact CG-CE1 3.93Å; K63-Y92 HydrophobicContact CG-CE2 4.11Å; K63-Y92 HydrophobicContact CG-CG 3.97Å
64A98.6Very high96.5Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-62.3-43177.700000112.1Y26 A29 V33 V35 L60 G61 I67 A68Y26-A64 HydrophobicContact CD2-CB 4.39Å; Y26-A64 HydrophobicContact CE2-CB 4.06Å; A29-A64 HydrophobicContact CB-CB 4.1Å; V33-A64 HydrophobicContact CG2-CB 3.91Å; V35-A64 HydrophobicContact CG2-CB 4.16Å; L60-A64 PolarHBondContact O-N 3.33Å; G61-A64 PolarHBondContact O-N 3.06Å; A64-I67 PolarHBondContact O-N 3.37Å; A64-A68 PolarHBondContact O-N 3.43Å
65L98Very high96.5Very high0 Ų037 Ų370%022%0.221CC..Hα-helixtrans-62.1-45.3174.1-76170.2000111.9Y26 F41 L52 L57 G61 C62 I67 A68 L69 L80Y26-L65 HydrophobicContact CD2-CD2 4.04Å; Y26-L65 HydrophobicContact CE2-CD2 3.51Å; Y26-L65 HydrophobicContact CE2-CG 3.78Å; F41-L65 HydrophobicContact CD2-CD2 3.5Å; F41-L65 VanDerWaalsContact CD2-CD2 3.5Å; F41-L65 HydrophobicContact CE2-CD2 3.66Å; F41-L65 HydrophobicContact CG-CD2 4.02Å; F41-L65 HydrophobicContact CZ-CD2 4.32Å; L52-L65 HydrophobicContact CD1-CD1 3.61Å; L52-L65 HydrophobicContact CD1-CD2 3.75Å; L52-L65 HydrophobicContact CD1-CG 4.36Å; L57-L65 HydrophobicContact CD1-CD1 3.48Å; L57-L65 VanDerWaalsContact CD1-CD1 3.48Å; L57-L65 HydrophobicContact CD2-CD1 3.78Å; L57-L65 HydrophobicContact CG-CD1 4.25Å; G61-L65 WeakPolarHBondContact O-CG 3.32Å; G61-L65 PolarHBondContact O-N 3.11Å; C62-L65 PolarHBondContact O-N 3.28Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 PolarHBondContact O-N 3.5Å; L65-A68 PolarHBondContact O-N 2.83Å; L65-A68 VanDerWaalsContact O-N 3.16Å; L65-L69 HydrophobicContact CB-CD1 4.39Å; L65-L69 WeakPolarHBondContact O-CB 3.47Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 2.97Å; L65-L80 HydrophobicContact CD1-CD2 4.19Å
66A97.9Very high96.6Very high8 Ų840.1 Ų40.17%0.06623%0.23CC..Hα-helixtrans-57-47.6178.300000111C62 K63 A68 L69 V70 L96C62-A66 VanDerWaalsContact O-CB 3.3Å; C62-A66 WeakPolarHBondContact O-CB 3.25Å; C62-A66 PolarHBondContact O-N 2.92Å; K63-A66 PolarHBondContact O-N 2.67Å; A66-A68 VanDerWaalsContact C-N 3.3Å; A66-A68 PolarHBondContact O-N 2.88Å; A66-L69 PolarHBondContact O-N 3.08Å; A66-V70 VanDerWaalsContact O-CG2 3.3Å; A66-V70 WeakPolarHBondContact O-CG2 3.27Å; A66-V70 PolarHBondContact O-N 3.47Å; A66-V70 VanDerWaalsContact O-N 3.16Å; A66-L96 HydrophobicContact CB-CB 4.02Å
67I97.6Very high96.7Very high52 Ų5238.9 Ų38.927%0.26721%0.211SC..Hα-helixtrans-56.3-44.2177.1-68.4164.7000111.5F16 V25 A29 V33 K63 A64 L65F16-I67 HydrophobicContact CE1-CG2 4.48Å; F16-I67 HydrophobicContact CE2-CG2 4.06Å; F16-I67 HydrophobicContact CZ-CG2 3.72Å; V25-I67 HydrophobicContact CG1-CG2 4.29Å; A29-I67 HydrophobicContact CB-CB 3.92Å; A29-I67 HydrophobicContact CB-CD1 4.13Å; A29-I67 HydrophobicContact CB-CG2 3.79Å; V33-I67 HydrophobicContact CG1-CD1 4.49Å; K63-I67 HydrophobicContact CG-CD1 4.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.46Å; K63-I67 PolarHBondContact O-N 3.02Å; A64-I67 PolarHBondContact O-N 3.37Å; L65-I67 VanDerWaalsContact C-N 3.33Å; L65-I67 PolarHBondContact O-N 3.5Å
68A96.5Very high96.8Very high8 Ų838.2 Ų38.27%0.06621%0.208CC..Hα-helixtrans-70-34.9-179.300000113.3I22 V25 Y26 F41 A64 L65 A66I22-A68 HydrophobicContact CG1-CB 4.18Å; V25-A68 HydrophobicContact CG1-CB 4.32Å; Y26-A68 HydrophobicContact CD2-CB 4.2Å; Y26-A68 HydrophobicContact CG-CB 4.44Å; F41-A68 HydrophobicContact CE1-CB 4.49Å; F41-A68 HydrophobicContact CZ-CB 4.26Å; A64-A68 PolarHBondContact O-N 3.43Å; L65-A68 PolarHBondContact O-N 2.83Å; L65-A68 VanDerWaalsContact O-N 3.16Å; A66-A68 VanDerWaalsContact C-N 3.3Å; A66-A68 PolarHBondContact O-N 2.88Å
69L96.7Very high96.8Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-89.1-11.7-171.3-68.2169.7000114.4I22 F41 L65 A66 S71 D72 I75 L78 L96 N100I22-L69 HydrophobicContact CD1-CD2 3.94Å; F41-L69 HydrophobicContact CE2-CD2 4.09Å; F41-L69 HydrophobicContact CE2-CG 4.41Å; F41-L69 HydrophobicContact CZ-CD2 4.25Å; L65-L69 HydrophobicContact CB-CD1 4.39Å; L65-L69 WeakPolarHBondContact O-CB 3.47Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 2.97Å; A66-L69 PolarHBondContact O-N 3.08Å; L69-S71 PolarHBondContact O-N 3.11Å; L69-S71 VanDerWaalsContact O-N 3.15Å; L69-D72 HydrophobicContact CD2-CB 4.03Å; L69-D72 PolarHBondContact O-N 3.4Å; L69-I75 HydrophobicContact CD2-CD1 3.43Å; L69-I75 VanDerWaalsContact CD2-CD1 3.43Å; L69-L78 HydrophobicContact CD1-CD1 4.23Å; L69-L78 HydrophobicContact CD1-CD2 3.96Å; L69-L96 HydrophobicContact CB-CD1 3.62Å; L69-L96 HydrophobicContact CB-CD2 3.98Å; L69-L96 HydrophobicContact CB-CG 4.47Å; L69-L96 HydrophobicContact CD1-CD2 4.26Å; L69-N100 PolarHBondContact O-ND2 2.96Å
70V94.8Very high96.8Very high56 Ų5639.3 Ų39.334%0.33921%0.207SC..THydrogen-bonded Turntrans-53.8-38.6-177.4160.40000112.7A66 L96 A99A66-V70 VanDerWaalsContact O-CG2 3.3Å; A66-V70 WeakPolarHBondContact O-CG2 3.27Å; A66-V70 PolarHBondContact O-N 3.47Å; A66-V70 VanDerWaalsContact O-N 3.16Å; V70-L96 HydrophobicContact CB-CD1 4.38Å; V70-L96 HydrophobicContact CG2-CD1 3.91Å; V70-L96 VanDerWaalsContact N-CD1 3.34Å; V70-A99 HydrophobicContact CG1-CB 4.15Å
71S89.4Confident96.8Very high106 Ų10636.1 Ų36.174%0.74119%0.191SC*.THydrogen-bonded Turntrans-109.610.6179-56.10000113.6L69L69-S71 PolarHBondContact O-N 3.11Å; L69-S71 VanDerWaalsContact O-N 3.15Å
72D92.6Very high96.8Very high13 Ų1340.7 Ų40.77%0.0721%0.208CC..  trans-69.2144.6174.8-176.1-117.3000111I22 L69 H74 I75 N100 T102I22-D72 HydrophobicContact CD1-CB 3.68Å; L69-D72 HydrophobicContact CD2-CB 4.03Å; L69-D72 PolarHBondContact O-N 3.4Å; D72-H74 PolarHBondContact OD1-N 3.18Å; D72-H74 VanDerWaalsContact OD1-N 3.08Å; D72-H74 IonicContact OD2-CG 2.65Å; D72-H74 PolarHBondContact OD2-N 3.29Å; D72-H74 IonicContact OD2-ND1 3.93Å; D72-H74 PolarHBondContact OD2-ND1 3.49Å; D72-H74 VanDerWaalsContact OD2-ND1 3.16Å; D72-I75 VanDerWaalsContact OD1-CB 3.32Å; D72-I75 WeakPolarHBondContact OD1-CB 3.23Å; D72-I75 PolarHBondContact OD1-N 3.33Å; D72-N100 PolarHBondContact O-ND2 3.44Å; D72-T102 PolarHBondContact O-OG1 3.32Å
73V93.2Very high96.8Very high99 Ų9940.7 Ų40.760%0.621%0.208SC*.SBendtrans-122.51.2-179-60.90000113.3T102V73-T102 HydrophobicContact CB-CG2 4.3Å
74H93.9Very high96.7Very high101 Ų10145.3 Ų45.347%0.46822%0.223SC..SBendtrans-102.9-46.2-172.1-57.990.2000112P48 D72 R76P48-H74 WeakPolarHBondContact CA-O 3.45Å; D72-H74 PolarHBondContact OD1-N 3.18Å; D72-H74 VanDerWaalsContact OD1-N 3.08Å; D72-H74 IonicContact OD2-CG 2.65Å; D72-H74 PolarHBondContact OD2-N 3.29Å; D72-H74 IonicContact OD2-ND1 3.93Å; D72-H74 PolarHBondContact OD2-ND1 3.49Å; D72-H74 VanDerWaalsContact OD2-ND1 3.16Å; H74-R76 PolarHBondContact O-N 2.86Å
75I97Very high96.7Very high0 Ų045.3 Ų45.30%022%0.223CC..  trans-74.7117.6-172.8-66.7163.9000109.7F41 S47 M50 L69 D72 T77 T102 I103F41-I75 HydrophobicContact CE2-CD1 4.35Å; S47-I75 WeakPolarHBondContact O-CG1 3.32Å; M50-I75 HydrophobicContact CB-CD1 3.99Å; M50-I75 HydrophobicContact CB-CG1 4.25Å; M50-I75 HydrophobicContact CB-CG2 3.98Å; M50-I75 HydrophobicContact CE-CD1 4.07Å; M50-I75 HydrophobicContact CG-CD1 4.38Å; L69-I75 HydrophobicContact CD2-CD1 3.43Å; L69-I75 VanDerWaalsContact CD2-CD1 3.43Å; D72-I75 VanDerWaalsContact OD1-CB 3.32Å; D72-I75 WeakPolarHBondContact OD1-CB 3.23Å; D72-I75 PolarHBondContact OD1-N 3.33Å; I75-T77 WeakPolarHBondContact CG2-O 3.46Å; I75-T102 PolarHBondContact O-OG1 3.23Å; I75-I103 WeakPolarHBondContact O-CG1 3.33Å
76R98.2Very high96.7Very high146 Ų14649.4 Ų49.455%0.55124%0.243SC*.  trans-104.7-27.5176.5-62.1-178.6-176.9-179.70.5112.2P48 H74 Q104 H105P48-R76 PolarHBondContact O-N 2.84Å; H74-R76 PolarHBondContact O-N 2.86Å; R76-Q104 PolarHBondContact O-N 3.39Å; R76-H105 PolarHBondContact O-N 2.86Å
77T98.7Very high96.8Very high28 Ų2849.5 Ų49.517%0.17224%0.244CC..EExtended strand (participates in β ladder)trans-123.2121.5179.4-58.80000109.6P48 T49 M50 I75 E79 H105P48-T77 PolarHBondContact O-N 3.47Å; T49-T77 WeakPolarHBondContact CA-O 3.36Å; T49-T77 HydrophobicContact CG2-CG2 3.98Å; M50-T77 PolarHBondContact N-O 2.83Å; I75-T77 WeakPolarHBondContact CG2-O 3.46Å; T77-E79 HydrophobicContact CG2-CG 3.96Å; T77-H105 WeakPolarHBondContact CA-O 3.49Å; T77-H105 HydrophobicContact CG2-CB 3.96Å; T77-H105 PolarHBondContact OG1-CD2 3.08Å
78L98.6Very high96.8Very high2 Ų251.3 Ų51.31%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-118.8111.4178.7-17661.7000109.5M50 L69 L80 I103 H105 L106 D107M50-L78 HydrophobicContact CB-CD1 4.02Å; M50-L78 HydrophobicContact CG-CD1 3.94Å; L69-L78 HydrophobicContact CD1-CD1 4.23Å; L69-L78 HydrophobicContact CD1-CD2 3.96Å; L78-L80 HydrophobicContact CD1-CD2 3.87Å; L78-L80 HydrophobicContact CD1-CG 4.34Å; L78-L80 HydrophobicContact CD2-CD1 3.97Å; L78-L80 HydrophobicContact CD2-CG 4.33Å; L78-L80 HydrophobicContact CG-CD1 4.1Å; L78-L80 HydrophobicContact CG-CD2 3.99Å; L78-L80 HydrophobicContact CG-CG 3.89Å; L78-I103 HydrophobicContact CB-CG2 4.45Å; L78-I103 HydrophobicContact CD2-CD1 4.24Å; L78-H105 PolarHBondContact N-O 2.96Å; L78-L106 HydrophobicContact CB-CD1 4.22Å; L78-L106 HydrophobicContact CD2-CD1 4.19Å; L78-L106 HydrophobicContact CG-CD1 4.27Å; L78-L106 WeakPolarHBondContact O-CA 3.17Å; L78-D107 PolarHBondContact O-N 3.21Å
79E98.6Very high96.9Very high59 Ų5951 Ų5128%0.27625%0.248SC..EExtended strand (participates in β ladder)trans-107.1111-178.1-52174.4162.500110.2M50 T51 L52 T77 D107M50-E79 PolarHBondContact O-N 3.41Å; T51-E79 WeakPolarHBondContact CB-OE2 3.41Å; T51-E79 HydrophobicContact CG2-CB 4.45Å; T51-E79 WeakPolarHBondContact CG2-OE2 3.43Å; T51-E79 PolarHBondContact OG1-OE2 2.84Å; L52-E79 CarbonylContact C-O 3.55Å; L52-E79 WeakPolarHBondContact CA-O 3.44Å; L52-E79 PolarHBondContact N-O 2.96Å; T77-E79 HydrophobicContact CG2-CG 3.96Å; E79-D107 HydrophobicContact CB-CB 4.3Å; E79-D107 HydrophobicContact CG-CB 4.44Å
80L98.7Very high97Very high0 Ų051 Ų510%025%0.248CC..  trans-119.720.7-174.5-55.5179.7000111.9L52 L57 L65 L78 N83 L93 L106 D107 L108 N111L52-L80 HydrophobicContact CB-CD2 4.03Å; L52-L80 HydrophobicContact CD1-CD2 4.07Å; L57-L80 HydrophobicContact CD1-CD2 3.84Å; L65-L80 HydrophobicContact CD1-CD2 4.19Å; L78-L80 HydrophobicContact CD1-CD2 3.87Å; L78-L80 HydrophobicContact CD1-CG 4.34Å; L78-L80 HydrophobicContact CD2-CD1 3.97Å; L78-L80 HydrophobicContact CD2-CG 4.33Å; L78-L80 HydrophobicContact CG-CD1 4.1Å; L78-L80 HydrophobicContact CG-CD2 3.99Å; L78-L80 HydrophobicContact CG-CG 3.89Å; L80-N83 WeakPolarHBondContact O-CB 3.33Å; L80-N83 PolarHBondContact O-ND2 3.11Å; L80-L93 HydrophobicContact CD1-CD1 3.67Å; L80-L93 HydrophobicContact CD1-CD2 4.06Å; L80-L106 HydrophobicContact CD1-CD1 4.3Å; L80-D107 CarbonylContact C-O 3.51Å; L80-D107 WeakPolarHBondContact CA-O 3.4Å; L80-D107 WeakPolarHBondContact CB-O 3.26Å; L80-D107 PolarHBondContact N-O 3.14Å; L80-L108 HydrophobicContact CB-CD2 4.21Å; L80-L108 HydrophobicContact CD1-CD2 4.13Å; L80-N111 PolarHBondContact O-ND2 3.13Å; L80-N111 PolarHBondContact O-OD1 3.47Å
81A98.1Very high97.2Very high5 Ų552.7 Ų52.74%0.04125%0.251CS..THydrogen-bonded Turntrans-60.6146.2-177.200000112.6T53 Y54 N83 S109T53-A81 VanDerWaalsContact CA-O 3.26Å; T53-A81 WeakPolarHBondContact CA-O 3.39Å; T53-A81 HydrophobicContact CG2-CB 3.99Å; T53-A81 VanDerWaalsContact CG2-O 3.29Å; T53-A81 WeakPolarHBondContact CG2-O 3.23Å; Y54-A81 PolarHBondContact N-O 2.71Å; Y54-A81 VanDerWaalsContact N-O 3.16Å; A81-N83 PolarHBondContact O-N 3Å; A81-N83 PolarHBondContact O-ND2 3.42Å; A81-S109 CarbonylContact C-O 3.54Å; A81-S109 WeakPolarHBondContact CA-O 3.32Å; A81-S109 WeakPolarHBondContact CB-O 3.4Å
82Y98Very high97.6Very high99 Ų9949 Ų4939%0.38822%0.221SC..THydrogen-bonded Turntrans56.843.6178.8-60.1-89000115.2T53 Y54 S109 N110T53-Y82 HydrophobicContact CG2-CD2 4.2Å; Y54-Y82 HydrophobicContact CD1-CD1 4.46Å; Y54-Y82 HydrophobicContact CD1-CD2 4.46Å; Y54-Y82 AromaticContact CD1-CG 3.9Å; Y54-Y82 HydrophobicContact CD1-CG 3.9Å; Y54-Y82 AromaticContact CE1-CD1 3.61Å; Y54-Y82 HydrophobicContact CE1-CD1 3.61Å; Y54-Y82 AromaticContact CE1-CD2 3.67Å; Y54-Y82 HydrophobicContact CE1-CD2 3.67Å; Y54-Y82 HydrophobicContact CE1-CE1 4.29Å; Y54-Y82 HydrophobicContact CE1-CE2 4.35Å; Y54-Y82 AromaticContact CE1-CG 3.24Å; Y54-Y82 HydrophobicContact CE1-CG 3.24Å; Y54-Y82 HydrophobicContact CE2-CD2 4.09Å; Y54-Y82 HydrophobicContact CE2-CG 4.45Å; Y54-Y82 AromaticContact CZ-CD2 3.43Å; Y54-Y82 VanDerWaalsContact CZ-CD2 3.43Å; Y54-Y82 AromaticContact CZ-CE2 3.86Å; Y54-Y82 AromaticContact CZ-CG 3.56Å; Y54-Y82 WeakPolarHBondContact OH-CD2 3.27Å; Y54-Y82 VanDerWaalsContact OH-CE2 3.24Å; Y54-Y82 WeakPolarHBondContact OH-CE2 3.16Å; Y82-S109 PolarHBondContact N-O 3.36Å; Y82-N110 WeakPolarHBondContact CA-O 3.33Å; Y82-N110 HydrophobicContact CD1-CB 3.43Å; Y82-N110 VanDerWaalsContact CD1-CB 3.43Å; Y82-N110 HydrophobicContact CD2-CB 4.06Å; Y82-N110 HydrophobicContact CE1-CB 3.29Å; Y82-N110 VanDerWaalsContact CE1-CG 3.41Å; Y82-N110 HydrophobicContact CE2-CB 3.94Å; Y82-N110 HydrophobicContact CG-CB 3.82Å; Y82-N110 VanDerWaalsContact CZ-ND2 3.3Å; Y82-N110 PolarHBondContact OH-ND2 2.94Å
83N98.3Very high97.9Very high0 Ų048.5 Ų48.50%022%0.218CC..SBendtrans-113.72.5-179.9-83-70000115.3L52 H55 G56 L57 G58 L80 A81 V85 N111L52-N83 PolarHBondContact O-ND2 2.93Å; L52-N83 PolarHBondContact O-OD1 3.23Å; H55-N83 WeakPolarHBondContact CA-OD1 3.21Å; H55-N83 PolarHBondContact N-OD1 2.93Å; G56-N83 PolarHBondContact N-OD1 2.77Å; L57-N83 HydrophobicContact CB-CB 4.08Å; L57-N83 HydrophobicContact CD1-CB 4.05Å; L57-N83 HydrophobicContact CG-CB 4.23Å; L57-N83 WeakPolarHBondContact CG-OD1 3.42Å; L57-N83 PolarHBondContact N-O 3.23Å; L57-N83 PolarHBondContact N-OD1 3.22Å; G58-N83 PolarHBondContact N-O 2.68Å; L80-N83 WeakPolarHBondContact O-CB 3.33Å; L80-N83 PolarHBondContact O-ND2 3.11Å; A81-N83 PolarHBondContact O-N 3Å; A81-N83 PolarHBondContact O-ND2 3.42Å; N83-V85 HydrophobicContact CB-CG2 4.01Å; N83-V85 PolarHBondContact O-N 3.19Å; N83-N111 VanDerWaalsContact CA-OD1 3.31Å; N83-N111 WeakPolarHBondContact CA-OD1 3.37Å; N83-N111 WeakPolarHBondContact CB-OD1 3.42Å; N83-N111 PolarHBondContact N-OD1 3.49Å
84R97.8Very high98.1Very high169 Ų16944.2 Ų44.264%0.63819%0.193SC*.  trans53.141.7-173.1-55.3178.4176.3172-0.3111.5G58 Q86 N111G58-R84 WeakPolarHBondContact CA-O 3.37Å; R84-Q86 WeakPolarHBondContact O-CG 3.35Å; R84-Q86 PolarHBondContact O-N 3.05Å; R84-N111 PolarHBondContact N-OD1 2.92Å
85V98.3Very high98.2Very high0 Ų044.8 Ų44.80%020%0.196CC..  trans-54.4-39178.8173.60000111.5C62 N83 G89 V90 L93 L108 N111C62-V85 HydrophobicContact CB-CG1 4.4Å; C62-V85 WeakPolarHBondContact SG-CG2 3.48Å; N83-V85 HydrophobicContact CB-CG2 4.01Å; N83-V85 PolarHBondContact O-N 3.19Å; V85-G89 VanDerWaalsContact CG1-C 3.41Å; V85-G89 WeakPolarHBondContact O-CA 3.39Å; V85-G89 PolarHBondContact O-N 3.44Å; V85-G89 VanDerWaalsContact O-N 3.08Å; V85-V90 HydrophobicContact CG1-CG2 3.95Å; V85-L93 HydrophobicContact CG1-CD1 4.16Å; V85-L108 HydrophobicContact CG1-CD2 4.48Å; V85-L108 HydrophobicContact CG2-CD2 4.38Å; V85-N111 HydrophobicContact CB-CB 3.92Å; V85-N111 HydrophobicContact CG2-CB 4.24Å; V85-N111 VanDerWaalsContact CG2-OD1 3.27Å; V85-N111 WeakPolarHBondContact CG2-OD1 3.35Å; V85-N111 PolarHBondContact N-O 3.43Å; V85-N111 PolarHBondContact N-OD1 3Å; V85-N111 VanDerWaalsContact N-OD1 3.1Å
86Q98.5Very high98.2Very high87 Ų8744.9 Ų44.941%0.40720%0.196SC..Hα-helixtrans57.7177.2-177.8-59.3167.47.700113.2P59 R84 E88 G89 V90 N111P59-Q86 HydrophobicContact CG-CB 4.27Å; R84-Q86 WeakPolarHBondContact O-CG 3.35Å; R84-Q86 PolarHBondContact O-N 3.05Å; Q86-E88 VanDerWaalsContact C-N 3.31Å; Q86-E88 PolarHBondContact O-N 2.87Å; Q86-G89 PolarHBondContact O-N 3.3Å; Q86-V90 WeakPolarHBondContact O-CG2 3.5Å; Q86-V90 PolarHBondContact O-N 3.04Å; Q86-V90 VanDerWaalsContact O-N 3.16Å; Q86-N111 PolarHBondContact N-O 2.87Å
87A98.5Very high98.1Very high10 Ų1038 Ų388%0.08317%0.171CC..Hα-helixtrans-56.9-43179.800000112.8G89 V90 K91 E116A87-G89 PolarHBondContact O-N 3.36Å; A87-V90 PolarHBondContact O-N 3.24Å; A87-K91 PolarHBondContact O-N 3.27Å; A87-E116 HydrophobicContact CB-CB 3.67Å
88E98.5Very high97.9Very high90 Ų9044.8 Ų44.842%0.42119%0.193SC..Hα-helixtrans-65.5-39.9-179.6-168.7-166.6161.700112.2P59 Q86 V90 K91 Y92P59-E88 HydrophobicContact CB-CB 3.98Å; P59-E88 HydrophobicContact CB-CG 4.22Å; P59-E88 HydrophobicContact CG-CB 4.32Å; Q86-E88 VanDerWaalsContact C-N 3.31Å; Q86-E88 PolarHBondContact O-N 2.87Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 3.29Å; E88-K91 VanDerWaalsContact O-CB 3.32Å; E88-K91 WeakPolarHBondContact O-CB 3.47Å; E88-K91 PolarHBondContact O-N 2.93Å; E88-Y92 HydrophobicContact CG-CE2 3.77Å; E88-Y92 WeakPolarHBondContact O-CD2 3.4Å; E88-Y92 PolarHBondContact O-N 2.9Å; E88-Y92 PolarHBondContact OE1-OH 3.43Å
89G98.5Very high97.7Very high0 Ų046.8 Ų46.80%021%0.21CC..Hα-helixtrans-64.7-38.5175.200000112.5V85 Q86 A87 K91 Y92 L93V85-G89 VanDerWaalsContact CG1-C 3.41Å; V85-G89 WeakPolarHBondContact O-CA 3.39Å; V85-G89 PolarHBondContact O-N 3.44Å; V85-G89 VanDerWaalsContact O-N 3.08Å; Q86-G89 PolarHBondContact O-N 3.3Å; A87-G89 PolarHBondContact O-N 3.36Å; G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 2.98Å; G89-Y92 PolarHBondContact O-N 3.39Å; G89-L93 WeakPolarHBondContact O-CG 3.48Å; G89-L93 PolarHBondContact O-N 3Å; G89-L93 VanDerWaalsContact O-N 3.15Å
90V98.6Very high97.5Very high0 Ų044.1 Ų44.10%020%0.198CC..Hα-helixtrans-63.4-36.6175.4174.20000111.2V85 Q86 A87 E88 Y92 L93 A94 L108 V113 H120 V121V85-V90 HydrophobicContact CG1-CG2 3.95Å; Q86-V90 WeakPolarHBondContact O-CG2 3.5Å; Q86-V90 PolarHBondContact O-N 3.04Å; Q86-V90 VanDerWaalsContact O-N 3.16Å; A87-V90 PolarHBondContact O-N 3.24Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 3.29Å; V90-Y92 VanDerWaalsContact C-N 3.32Å; V90-Y92 PolarHBondContact O-N 2.86Å; V90-L93 CarbonylContact O-C 3.59Å; V90-L93 PolarHBondContact O-N 3.07Å; V90-L93 VanDerWaalsContact O-N 3.13Å; V90-A94 PolarHBondContact O-N 3.06Å; V90-L108 HydrophobicContact CG2-CD1 4.2Å; V90-V113 HydrophobicContact CG2-CB 4.45Å; V90-V113 HydrophobicContact CG2-CG1 3.94Å; V90-V113 HydrophobicContact CG2-CG2 3.63Å; V90-H120 HydrophobicContact CB-CB 4.48Å; V90-H120 HydrophobicContact CG1-CB 3.83Å; V90-V121 HydrophobicContact CG1-CG2 3.68Å
91K98.4Very high97.4Very high93 Ų9350.3 Ų50.340%0.40423%0.225SC..Hα-helixtrans-55.7-46.7173.7-179.5-177.2174-1780112A87 E88 G89 L93 A94 E95 H120A87-K91 PolarHBondContact O-N 3.27Å; E88-K91 VanDerWaalsContact O-CB 3.32Å; E88-K91 WeakPolarHBondContact O-CB 3.47Å; E88-K91 PolarHBondContact O-N 2.93Å; G89-K91 VanDerWaalsContact C-N 3.29Å; G89-K91 PolarHBondContact O-N 2.98Å; K91-L93 VanDerWaalsContact C-N 3.31Å; K91-L93 PolarHBondContact O-N 3.14Å; K91-A94 WeakPolarHBondContact O-CB 3.5Å; K91-A94 PolarHBondContact O-N 3.4Å; K91-E95 PolarHBondContact O-N 3.5Å; K91-E95 VanDerWaalsContact O-N 3.1Å; K91-H120 VanDerWaalsContact CB-CD2 3.48Å; K91-H120 WeakPolarHBondContact CB-CD2 3.39Å
92Y98.4Very high97.3Very high29 Ų2951.5 Ų51.511%0.11423%0.231CC..Hα-helixtrans-65.4-34.9177.5-58.7-53.9000112.4P59 K63 E88 G89 V90 E95 L96P59-Y92 WeakPolarHBondContact O-CD2 3.43Å; K63-Y92 HydrophobicContact CB-CD1 4.31Å; K63-Y92 HydrophobicContact CB-CD2 3.57Å; K63-Y92 HydrophobicContact CB-CE1 4.47Å; K63-Y92 HydrophobicContact CB-CE2 3.79Å; K63-Y92 HydrophobicContact CB-CG 3.88Å; K63-Y92 HydrophobicContact CD-CD1 4.22Å; K63-Y92 HydrophobicContact CD-CD2 4.44Å; K63-Y92 HydrophobicContact CD-CE1 3.71Å; K63-Y92 HydrophobicContact CD-CE2 3.98Å; K63-Y92 HydrophobicContact CG-CD1 3.9Å; K63-Y92 HydrophobicContact CG-CD2 4.06Å; K63-Y92 HydrophobicContact CG-CE1 3.93Å; K63-Y92 HydrophobicContact CG-CE2 4.11Å; K63-Y92 HydrophobicContact CG-CG 3.97Å; E88-Y92 HydrophobicContact CG-CE2 3.77Å; E88-Y92 WeakPolarHBondContact O-CD2 3.4Å; E88-Y92 PolarHBondContact O-N 2.9Å; E88-Y92 PolarHBondContact OE1-OH 3.43Å; G89-Y92 PolarHBondContact O-N 3.39Å; V90-Y92 VanDerWaalsContact C-N 3.32Å; V90-Y92 PolarHBondContact O-N 2.86Å; Y92-E95 PolarHBondContact O-N 2.86Å; Y92-L96 PolarHBondContact O-N 3.31Å
93L98.3Very high97.3Very high2 Ų246.8 Ų46.81%0.0121%0.213CC..Hα-helixtrans-70.5-34175.1-64.4175.4000112.7L80 V85 G89 V90 K91 L96 L97 L108 M124L80-L93 HydrophobicContact CD1-CD1 3.67Å; L80-L93 HydrophobicContact CD1-CD2 4.06Å; V85-L93 HydrophobicContact CG1-CD1 4.16Å; G89-L93 WeakPolarHBondContact O-CG 3.48Å; G89-L93 PolarHBondContact O-N 3Å; G89-L93 VanDerWaalsContact O-N 3.15Å; V90-L93 CarbonylContact O-C 3.59Å; V90-L93 PolarHBondContact O-N 3.07Å; V90-L93 VanDerWaalsContact O-N 3.13Å; K91-L93 VanDerWaalsContact C-N 3.31Å; K91-L93 PolarHBondContact O-N 3.14Å; L93-L96 HydrophobicContact CD2-CD2 4.06Å; L93-L96 WeakPolarHBondContact O-CB 3.16Å; L93-L96 PolarHBondContact O-N 2.75Å; L93-L97 PolarHBondContact O-N 2.86Å; L93-L108 HydrophobicContact CD1-CD1 4.46Å; L93-L108 HydrophobicContact CD1-CD2 3.57Å; L93-M124 HydrophobicContact CB-SD 4.43Å
94A97.6Very high97.3Very high8 Ų849.1 Ų49.17%0.06622%0.224CC..Hα-helixtrans-63.7-42.6172.600000111.1V90 K91 L97 R98 M124V90-A94 PolarHBondContact O-N 3.06Å; K91-A94 WeakPolarHBondContact O-CB 3.5Å; K91-A94 PolarHBondContact O-N 3.4Å; A94-L97 PolarHBondContact O-N 2.87Å; A94-R98 PolarHBondContact O-N 2.93Å; A94-R98 VanDerWaalsContact O-N 3.13Å; A94-M124 HydrophobicContact CB-CB 3.81Å; A94-M124 HydrophobicContact CB-CG 4.34Å
95E96.8Very high97.3Very high113 Ų11344.4 Ų44.453%0.52821%0.209SC..Hα-helixtrans-63.3-40.6173.9-70.7175.9-174.500112K91 Y92K91-E95 PolarHBondContact O-N 3.5Å; K91-E95 VanDerWaalsContact O-N 3.1Å; Y92-E95 PolarHBondContact O-N 2.86Å
96L96.8Very high97.4Very high2 Ų244.7 Ų44.71%0.0121%0.21CC..Hα-helixtrans-57-55172.6163.865.5000111.4A66 L69 V70 Y92 L93 R98 A99 N100 I103A66-L96 HydrophobicContact CB-CB 4.02Å; L69-L96 HydrophobicContact CB-CD1 3.62Å; L69-L96 HydrophobicContact CB-CD2 3.98Å; L69-L96 HydrophobicContact CB-CG 4.47Å; L69-L96 HydrophobicContact CD1-CD2 4.26Å; V70-L96 HydrophobicContact CB-CD1 4.38Å; V70-L96 HydrophobicContact CG2-CD1 3.91Å; V70-L96 VanDerWaalsContact N-CD1 3.34Å; Y92-L96 PolarHBondContact O-N 3.31Å; L93-L96 HydrophobicContact CD2-CD2 4.06Å; L93-L96 WeakPolarHBondContact O-CB 3.16Å; L93-L96 PolarHBondContact O-N 2.75Å; L96-R98 PolarHBondContact O-N 2.87Å; L96-A99 PolarHBondContact O-N 2.71Å; L96-N100 HydrophobicContact CD1-CB 3.88Å; L96-N100 HydrophobicContact CG-CB 4.41Å; L96-N100 WeakPolarHBondContact O-CB 3.29Å; L96-N100 PolarHBondContact O-N 3.23Å; L96-I103 HydrophobicContact CD2-CD1 4.05Å
97L96.4Very high97.4Very high3 Ų341.8 Ų41.82%0.01620%0.198CC..Hα-helixtrans-73.2-12.7-172.7-71.7-179.6000114.2L93 A94 A99 I103 L106 M124 L131L93-L97 PolarHBondContact O-N 2.86Å; A94-L97 PolarHBondContact O-N 2.87Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-I103 HydrophobicContact CD2-CB 3.72Å; L97-I103 HydrophobicContact CD2-CD1 3.94Å; L97-I103 HydrophobicContact CD2-CG1 4.4Å; L97-I103 HydrophobicContact CD2-CG2 3.94Å; L97-L106 HydrophobicContact CD1-CD2 3.85Å; L97-M124 HydrophobicContact CB-CG 4.25Å; L97-M124 HydrophobicContact CD1-CG 3.6Å; L97-M124 HydrophobicContact CD1-SD 3.63Å; L97-M124 HydrophobicContact CG-CG 4.49Å; L97-L131 HydrophobicContact CD1-CD2 4.47Å
98R95.1Very high97.4Very high169 Ų16941.3 Ų41.364%0.63819%0.194SC*.Hα-helixtrans-69.2-30.1168.3-173.2176.3-178.8-1602112.6A94 L96 D127A94-R98 PolarHBondContact O-N 2.93Å; A94-R98 VanDerWaalsContact O-N 3.13Å; L96-R98 PolarHBondContact O-N 2.87Å; R98-D127 HydrophobicContact CB-CB 4.41Å; R98-D127 HydrophobicContact CG-CB 4.31Å
99A94.1Very high97.4Very high45 Ų4537.5 Ų37.537%0.37218%0.177SC..Hα-helixtrans-109-27.3-177.100000113.5V70 L96 L97 F101V70-A99 HydrophobicContact CG1-CB 4.15Å; L96-A99 PolarHBondContact O-N 2.71Å; L97-A99 VanDerWaalsContact C-N 3.31Å; A99-F101 VanDerWaalsContact O-CE2 3.3Å; A99-F101 WeakPolarHBondContact O-CE2 3.47Å; A99-F101 WeakPolarHBondContact O-CZ 3.3Å
100N94.9Very high97.4Very high3 Ų339.6 Ų39.62%0.01619%0.188CC..  trans-83129.5176.5-173.9-77.7000110.4L69 D72 L96 T102 I103L69-N100 PolarHBondContact O-ND2 2.96Å; D72-N100 PolarHBondContact O-ND2 3.44Å; L96-N100 HydrophobicContact CD1-CB 3.88Å; L96-N100 HydrophobicContact CG-CB 4.41Å; L96-N100 WeakPolarHBondContact O-CB 3.29Å; L96-N100 PolarHBondContact O-N 3.23Å; N100-T102 PolarHBondContact ND2-OG1 3.48Å; N100-T102 VanDerWaalsContact ND2-OG1 3.12Å; N100-T102 PolarHBondContact OD1-N 2.96Å; N100-T102 PolarHBondContact OD1-OG1 3.26Å; N100-I103 PolarHBondContact OD1-N 2.74Å
101F94.7Very high97.4Very high129 Ų12939.6 Ų39.657%0.56619%0.188SC*.  trans-112.513.2-178.6-50.1-55.6000113.2A99 I129 S130A99-F101 VanDerWaalsContact O-CE2 3.3Å; A99-F101 WeakPolarHBondContact O-CE2 3.47Å; A99-F101 WeakPolarHBondContact O-CZ 3.3Å; F101-I129 HydrophobicContact CD1-CD1 3.37Å; F101-I129 HydrophobicContact CD1-CG1 3.45Å; F101-I129 VanDerWaalsContact CD1-CG1 3.45Å; F101-I129 HydrophobicContact CE1-CD1 3.63Å; F101-I129 HydrophobicContact CE1-CG1 3.92Å; F101-I129 HydrophobicContact CG-CD1 4.17Å; F101-I129 HydrophobicContact CG-CG1 4.44Å; F101-S130 VanDerWaalsContact C-CB 3.45Å; F101-S130 VanDerWaalsContact O-CB 3.24Å; F101-S130 WeakPolarHBondContact O-CB 3.36Å
102T96.4Very high97.4Very high30 Ų3040.1 Ų40.118%0.18419%0.192CC..  trans-111.7-32.9-17159.60000113.6D72 V73 I75 N100 Q104D72-T102 PolarHBondContact O-OG1 3.32Å; V73-T102 HydrophobicContact CB-CG2 4.3Å; I75-T102 PolarHBondContact O-OG1 3.23Å; N100-T102 PolarHBondContact ND2-OG1 3.48Å; N100-T102 VanDerWaalsContact ND2-OG1 3.12Å; N100-T102 PolarHBondContact OD1-N 2.96Å; N100-T102 PolarHBondContact OD1-OG1 3.26Å; T102-Q104 WeakPolarHBondContact O-CG 3.48Å; T102-Q104 PolarHBondContact O-N 2.75Å
103I98.1Very high97.4Very high0 Ų038.8 Ų38.80%019%0.187CC..  trans-70.1121177.9-63.6167.1000108.8I75 L78 L96 L97 N100 S130 L131I75-I103 WeakPolarHBondContact O-CG1 3.33Å; L78-I103 HydrophobicContact CB-CG2 4.45Å; L78-I103 HydrophobicContact CD2-CD1 4.24Å; L96-I103 HydrophobicContact CD2-CD1 4.05Å; L97-I103 HydrophobicContact CD2-CB 3.72Å; L97-I103 HydrophobicContact CD2-CD1 3.94Å; L97-I103 HydrophobicContact CD2-CG1 4.4Å; L97-I103 HydrophobicContact CD2-CG2 3.94Å; N100-I103 PolarHBondContact OD1-N 2.74Å; I103-S130 CarbonylContact O-C 3.19Å; I103-S130 WeakPolarHBondContact O-CB 3.39Å; I103-S130 PolarHBondContact O-OG 3.17Å; I103-L131 HydrophobicContact CG2-CD1 4.36Å
104Q98.6Very high97.3Very high49 Ų4944.2 Ų44.223%0.22921%0.21CC..  trans-111.6-24.8-179.1-62-175.618.700112.2R76 T102 K132 S133R76-Q104 PolarHBondContact O-N 3.39Å; T102-Q104 WeakPolarHBondContact O-CG 3.48Å; T102-Q104 PolarHBondContact O-N 2.75Å; Q104-K132 PolarHBondContact O-N 2.76Å; Q104-S133 PolarHBondContact O-N 3.39Å
105H98.8Very high97.4Very high71 Ų7146 Ų4633%0.32922%0.223SC..EExtended strand (participates in β ladder)trans-130.2125.5-178.3-52.9-82.6000109.8R76 T77 L78 S133R76-H105 PolarHBondContact O-N 2.86Å; T77-H105 WeakPolarHBondContact CA-O 3.49Å; T77-H105 HydrophobicContact CG2-CB 3.96Å; T77-H105 PolarHBondContact OG1-CD2 3.08Å; L78-H105 PolarHBondContact N-O 2.96Å; H105-S133 WeakPolarHBondContact CA-O 3.38Å; H105-S133 WeakPolarHBondContact ND1-CB 3.32Å
106L98.8Very high97.4Very high5 Ų548.1 Ų48.13%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-128.7123179.3175.861.1000110.3L78 L80 L97 L108 M124 L131 S133 I134 K135L78-L106 HydrophobicContact CB-CD1 4.22Å; L78-L106 HydrophobicContact CD2-CD1 4.19Å; L78-L106 HydrophobicContact CG-CD1 4.27Å; L78-L106 WeakPolarHBondContact O-CA 3.17Å; L80-L106 HydrophobicContact CD1-CD1 4.3Å; L97-L106 HydrophobicContact CD1-CD2 3.85Å; L106-L108 HydrophobicContact CD1-CD2 4.32Å; L106-L108 HydrophobicContact CD1-CG 4.15Å; L106-L108 HydrophobicContact CD2-CD1 3.83Å; L106-L108 HydrophobicContact CD2-CG 4.06Å; L106-L108 HydrophobicContact CG-CD1 4.25Å; L106-L108 HydrophobicContact CG-CG 3.94Å; L106-M124 HydrophobicContact CD2-CE 3.86Å; L106-M124 HydrophobicContact CD2-SD 3.8Å; L106-L131 HydrophobicContact CB-CD1 3.75Å; L106-S133 PolarHBondContact N-O 3.49Å; L106-I134 WeakPolarHBondContact O-CA 3.33Å; L106-K135 PolarHBondContact O-N 2.98Å
107D98.9Very high97.4Very high27 Ų2748 Ų4814%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-106.7113172.2-171.4-10000110.9L78 E79 L80 S109 K135L78-D107 PolarHBondContact O-N 3.21Å; E79-D107 HydrophobicContact CB-CB 4.3Å; E79-D107 HydrophobicContact CG-CB 4.44Å; L80-D107 CarbonylContact C-O 3.51Å; L80-D107 WeakPolarHBondContact CA-O 3.4Å; L80-D107 WeakPolarHBondContact CB-O 3.26Å; L80-D107 PolarHBondContact N-O 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.37Å; D107-S109 PolarHBondContact OD1-N 3.24Å; D107-S109 PolarHBondContact OD1-OG 2.8Å; D107-K135 HydrophobicContact CB-CB 4.28Å; D107-K135 HydrophobicContact CB-CD 4.39Å
108L98.8Very high97.5Very high0 Ų047.9 Ų47.90%023%0.231CC..  trans-11321.1175.6-71.9176000112.4L80 V85 V90 L93 L106 N111 M124 K135 L136 N139L80-L108 HydrophobicContact CB-CD2 4.21Å; L80-L108 HydrophobicContact CD1-CD2 4.13Å; V85-L108 HydrophobicContact CG1-CD2 4.48Å; V85-L108 HydrophobicContact CG2-CD2 4.38Å; V90-L108 HydrophobicContact CG2-CD1 4.2Å; L93-L108 HydrophobicContact CD1-CD1 4.46Å; L93-L108 HydrophobicContact CD1-CD2 3.57Å; L106-L108 HydrophobicContact CD1-CD2 4.32Å; L106-L108 HydrophobicContact CD1-CG 4.15Å; L106-L108 HydrophobicContact CD2-CD1 3.83Å; L106-L108 HydrophobicContact CD2-CG 4.06Å; L106-L108 HydrophobicContact CG-CD1 4.25Å; L106-L108 HydrophobicContact CG-CG 3.94Å; L108-N111 WeakPolarHBondContact O-CB 3.37Å; L108-N111 PolarHBondContact O-ND2 3.24Å; L108-M124 HydrophobicContact CD1-CE 4.05Å; L108-K135 CarbonylContact C-O 3.46Å; L108-K135 WeakPolarHBondContact CA-O 3.44Å; L108-K135 PolarHBondContact N-O 2.86Å; L108-L136 HydrophobicContact CB-CD2 4.13Å; L108-L136 HydrophobicContact CD1-CD2 4.28Å; L108-N139 PolarHBondContact O-ND2 3.26Å
109S98.8Very high97.6Very high9 Ų946 Ų466%0.06323%0.23CC..THydrogen-bonded Turntrans-61.3142.6-176.3-53.60000112.8A81 Y82 D107 N111 S137A81-S109 CarbonylContact C-O 3.54Å; A81-S109 WeakPolarHBondContact CA-O 3.32Å; A81-S109 WeakPolarHBondContact CB-O 3.4Å; Y82-S109 PolarHBondContact N-O 3.36Å; D107-S109 WeakPolarHBondContact OD1-CB 3.37Å; D107-S109 PolarHBondContact OD1-N 3.24Å; D107-S109 PolarHBondContact OD1-OG 2.8Å; S109-N111 PolarHBondContact O-N 3.14Å; S109-N111 PolarHBondContact O-ND2 3.29Å; S109-N111 VanDerWaalsContact O-ND2 3.15Å; S109-S137 CarbonylContact C-O 3.19Å; S109-S137 WeakPolarHBondContact CA-O 3.32Å
110N98.3Very high97.8Very high44 Ų4446.5 Ų46.524%0.23522%0.224CC..THydrogen-bonded Turntrans55.747.2174.4-63.7-86.6000113.9Y82 S137 G138Y82-N110 WeakPolarHBondContact CA-O 3.33Å; Y82-N110 HydrophobicContact CD1-CB 3.43Å; Y82-N110 VanDerWaalsContact CD1-CB 3.43Å; Y82-N110 HydrophobicContact CD2-CB 4.06Å; Y82-N110 HydrophobicContact CE1-CB 3.29Å; Y82-N110 VanDerWaalsContact CE1-CG 3.41Å; Y82-N110 HydrophobicContact CE2-CB 3.94Å; Y82-N110 HydrophobicContact CG-CB 3.82Å; Y82-N110 VanDerWaalsContact CZ-ND2 3.3Å; Y82-N110 PolarHBondContact OH-ND2 2.94Å; N110-S137 PolarHBondContact N-O 2.82Å; N110-G138 WeakPolarHBondContact CA-O 3.33Å
111N98.6Very high98Very high0 Ų046.4 Ų46.40%022%0.223CC..SBendtrans-112.77.6-176.8-87.7-59.4000115.2L80 N83 R84 V85 Q86 L108 S109 V113 N139L80-N111 PolarHBondContact O-ND2 3.13Å; L80-N111 PolarHBondContact O-OD1 3.47Å; N83-N111 VanDerWaalsContact CA-OD1 3.31Å; N83-N111 WeakPolarHBondContact CA-OD1 3.37Å; N83-N111 WeakPolarHBondContact CB-OD1 3.42Å; N83-N111 PolarHBondContact N-OD1 3.49Å; R84-N111 PolarHBondContact N-OD1 2.92Å; V85-N111 HydrophobicContact CB-CB 3.92Å; V85-N111 HydrophobicContact CG2-CB 4.24Å; V85-N111 VanDerWaalsContact CG2-OD1 3.27Å; V85-N111 WeakPolarHBondContact CG2-OD1 3.35Å; V85-N111 PolarHBondContact N-O 3.43Å; V85-N111 PolarHBondContact N-OD1 3Å; V85-N111 VanDerWaalsContact N-OD1 3.1Å; Q86-N111 PolarHBondContact N-O 2.87Å; L108-N111 WeakPolarHBondContact O-CB 3.37Å; L108-N111 PolarHBondContact O-ND2 3.24Å; S109-N111 PolarHBondContact O-N 3.14Å; S109-N111 PolarHBondContact O-ND2 3.29Å; S109-N111 VanDerWaalsContact O-ND2 3.15Å; N111-V113 HydrophobicContact CB-CG2 4.1Å; N111-V113 PolarHBondContact O-N 3.25Å; N111-N139 WeakPolarHBondContact CA-OD1 3.24Å; N111-N139 PolarHBondContact N-OD1 3.31Å
112H97.7Very high98.1Very high104 Ų10440.5 Ų40.548%0.48120%0.198SC..  trans54.141.3-177.8-57-74.2000112.6N139H112-N139 PolarHBondContact N-OD1 2.89Å
113V98.4Very high98.1Very high1 Ų144.2 Ų44.21%0.00621%0.212CC..  trans-62.9-44.6179178.20000111V90 N111 G117 V121 N139 F141V90-V113 HydrophobicContact CG2-CB 4.45Å; V90-V113 HydrophobicContact CG2-CG1 3.94Å; V90-V113 HydrophobicContact CG2-CG2 3.63Å; N111-V113 HydrophobicContact CB-CG2 4.1Å; N111-V113 PolarHBondContact O-N 3.25Å; V113-G117 PolarHBondContact O-N 2.92Å; V113-V121 HydrophobicContact CG1-CG2 4.21Å; V113-N139 HydrophobicContact CB-CB 4.05Å; V113-N139 HydrophobicContact CG2-CB 4.4Å; V113-N139 VanDerWaalsContact CG2-OD1 3.26Å; V113-N139 WeakPolarHBondContact CG2-OD1 3.11Å; V113-N139 PolarHBondContact N-OD1 3.34Å; V113-F141 HydrophobicContact CB-CE1 4.36Å; V113-F141 HydrophobicContact CB-CZ 4Å; V113-F141 HydrophobicContact CG1-CE1 3.91Å; V113-F141 HydrophobicContact CG1-CZ 3.75Å
114K97.9Very high98Very high116 Ų11644.2 Ų44.250%0.50421%0.212SC..Hα-helixtrans54.6-172.7179.4-55.6176.7-177.2176.30112.9E116 G117 A118 N139 F141K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.18Å; K114-G117 PolarHBondContact O-N 3.5Å; K114-G117 VanDerWaalsContact O-N 3.17Å; K114-A118 PolarHBondContact O-N 3.37Å; K114-N139 WeakPolarHBondContact CA-O 3.29Å; K114-N139 PolarHBondContact N-O 3.03Å; K114-F141 VanDerWaalsContact O-CE1 3.31Å; K114-F141 WeakPolarHBondContact O-CE1 3.38Å
115S98.2Very high97.9Very high47 Ų4741.9 Ų41.933%0.32920%0.201SC..Hα-helixtrans-60.4-36-178-51.10000113.8G117 A118 D145S115-G117 PolarHBondContact O-N 3.1Å; S115-G117 VanDerWaalsContact O-N 3.15Å; S115-A118 WeakPolarHBondContact O-CB 3.34Å; S115-A118 PolarHBondContact O-N 3.09Å; S115-D145 VanDerWaalsContact CA-OD1 3.28Å; S115-D145 WeakPolarHBondContact CA-OD1 3.31Å; S115-D145 WeakPolarHBondContact CA-OD2 3.49Å; S115-D145 WeakPolarHBondContact CB-OD1 3.3Å; S115-D145 WeakPolarHBondContact CB-OD2 3.48Å; S115-D145 PolarHBondContact OG-OD1 3.47Å; S115-D145 PolarHBondContact OG-OD2 3.02Å
116E97.1Very high97.7Very high157 Ų15743.1 Ų43.173%0.73421%0.209SC*.Hα-helixtrans-58-30176.7-66.6171.7-166.200113.1A87 K114 H120A87-E116 HydrophobicContact CB-CB 3.67Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.18Å; E116-H120 PolarHBondContact O-ND1 3.23Å
117G97.9Very high97.4Very high0 Ų045.7 Ų45.70%022%0.222CC..Hα-helixtrans-94.9-8.6178.400000114.4V113 K114 S115 E119 H120 V121V113-G117 PolarHBondContact O-N 2.92Å; K114-G117 PolarHBondContact O-N 3.5Å; K114-G117 VanDerWaalsContact O-N 3.17Å; S115-G117 PolarHBondContact O-N 3.1Å; S115-G117 VanDerWaalsContact O-N 3.15Å; G117-E119 PolarHBondContact O-N 3.08Å; G117-H120 WeakPolarHBondContact O-CB 3.23Å; G117-H120 PolarHBondContact O-N 2.82Å; G117-H120 VanDerWaalsContact O-N 3.16Å; G117-V121 WeakPolarHBondContact O-CG2 3.14Å; G117-V121 PolarHBondContact O-N 3.21Å
118A98.3Very high97.1Very high0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-61.4-44.2-175.800000112.3K114 S115 H120 V121 A122 F141 D145 F149K114-A118 PolarHBondContact O-N 3.37Å; S115-A118 WeakPolarHBondContact O-CB 3.34Å; S115-A118 PolarHBondContact O-N 3.09Å; A118-H120 VanDerWaalsContact C-N 3.32Å; A118-H120 PolarHBondContact O-N 2.9Å; A118-V121 PolarHBondContact O-N 2.75Å; A118-A122 PolarHBondContact O-N 3.23Å; A118-F141 HydrophobicContact CB-CD1 3.97Å; A118-F141 HydrophobicContact CB-CE1 3.86Å; A118-D145 HydrophobicContact CB-CB 3.74Å; A118-F149 HydrophobicContact CB-CZ 4.46Å
119E96.8Very high96.9Very high130 Ų13049.2 Ų49.261%0.60724%0.24SC*.Hα-helixtrans-62.6-39.3175.7-171.4-176.1172.900111.8G117 A122 K123G117-E119 PolarHBondContact O-N 3.08Å; E119-A122 PolarHBondContact O-N 3.21Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 PolarHBondContact O-N 3.34Å
120H98.3Very high96.8Very high55 Ų5549.5 Ų49.526%0.25524%0.242SC..Hα-helixtrans-65.4-39.4176.7-65.293.5000111.8V90 K91 E116 G117 A118 M124V90-H120 HydrophobicContact CB-CB 4.48Å; V90-H120 HydrophobicContact CG1-CB 3.83Å; K91-H120 VanDerWaalsContact CB-CD2 3.48Å; K91-H120 WeakPolarHBondContact CB-CD2 3.39Å; E116-H120 PolarHBondContact O-ND1 3.23Å; G117-H120 WeakPolarHBondContact O-CB 3.23Å; G117-H120 PolarHBondContact O-N 2.82Å; G117-H120 VanDerWaalsContact O-N 3.16Å; A118-H120 VanDerWaalsContact C-N 3.32Å; A118-H120 PolarHBondContact O-N 2.9Å; H120-M124 WeakPolarHBondContact O-CB 3.36Å; H120-M124 PolarHBondContact O-N 2.99Å
121V98.4Very high96.7Very high0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-64.1-47172.4177.10000110.6V90 V113 G117 A118 K123 M124 L125 I134 L136 F141 F149V90-V121 HydrophobicContact CG1-CG2 3.68Å; V113-V121 HydrophobicContact CG1-CG2 4.21Å; G117-V121 WeakPolarHBondContact O-CG2 3.14Å; G117-V121 PolarHBondContact O-N 3.21Å; A118-V121 PolarHBondContact O-N 2.75Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.99Å; V121-M124 HydrophobicContact CG1-CE 4.13Å; V121-M124 WeakPolarHBondContact O-CB 3.32Å; V121-M124 PolarHBondContact O-N 3.24Å; V121-M124 VanDerWaalsContact O-N 3.13Å; V121-L125 HydrophobicContact CG1-CD1 4.22Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CG 3.31Å; V121-L125 PolarHBondContact O-N 2.88Å; V121-I134 HydrophobicContact CG1-CD1 4.17Å; V121-L136 HydrophobicContact CG1-CD1 3.68Å; V121-L136 HydrophobicContact CG1-CD2 4.01Å; V121-L136 HydrophobicContact CG1-CG 4.5Å; V121-L136 HydrophobicContact CG2-CD2 4.09Å; V121-F141 HydrophobicContact CG2-CZ 4.38Å; V121-F149 HydrophobicContact CB-CE1 4.04Å; V121-F149 HydrophobicContact CG1-CD1 4.42Å; V121-F149 HydrophobicContact CG1-CE1 3.69Å
122A97.3Very high96.7Very high5 Ų552 Ų524%0.04125%0.251CS..Hα-helixtrans-58.2-43.9178.400000111.8A118 E119 M124 L125 M126 H148 A152A118-A122 PolarHBondContact O-N 3.23Å; E119-A122 PolarHBondContact O-N 3.21Å; A122-M124 PolarHBondContact O-N 2.72Å; A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 PolarHBondContact O-N 2.89Å; A122-M126 WeakPolarHBondContact O-CG 3.49Å; A122-M126 PolarHBondContact O-N 2.93Å; A122-H148 HydrophobicContact CB-CB 3.72Å; A122-H148 WeakPolarHBondContact CB-O 3.46Å; A122-A152 HydrophobicContact CB-CB 3.96Å; A122-A152 WeakPolarHBondContact O-CB 3.25Å
123K95.9Very high96.8Very high108 Ų10847.4 Ų47.447%0.4723%0.23SC..Hα-helixtrans-61.2-44.3174-173.3174.9-177.3176.80112.6E119 V121 L125 M126 D127E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 PolarHBondContact O-N 3.34Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.99Å; K123-L125 VanDerWaalsContact C-N 3.27Å; K123-L125 PolarHBondContact O-N 3.39Å; K123-M126 HydrophobicContact CB-CE 4.43Å; K123-M126 PolarHBondContact O-N 3.38Å; K123-M126 VanDerWaalsContact O-N 3.15Å; K123-D127 WeakPolarHBondContact O-CB 3.43Å; K123-D127 PolarHBondContact O-N 2.83Å
124M96.6Very high96.8Very high1 Ų147.3 Ų47.31%0.00523%0.23CC..Hα-helixtrans-58.3-39.9175.2-177.6177.669.300111.8L93 A94 L97 L106 L108 H120 V121 A122 S128 I134L93-M124 HydrophobicContact CB-SD 4.43Å; A94-M124 HydrophobicContact CB-CB 3.81Å; A94-M124 HydrophobicContact CB-CG 4.34Å; L97-M124 HydrophobicContact CB-CG 4.25Å; L97-M124 HydrophobicContact CD1-CG 3.6Å; L97-M124 HydrophobicContact CD1-SD 3.63Å; L97-M124 HydrophobicContact CG-CG 4.49Å; L106-M124 HydrophobicContact CD2-CE 3.86Å; L106-M124 HydrophobicContact CD2-SD 3.8Å; L108-M124 HydrophobicContact CD1-CE 4.05Å; H120-M124 WeakPolarHBondContact O-CB 3.36Å; H120-M124 PolarHBondContact O-N 2.99Å; V121-M124 HydrophobicContact CG1-CE 4.13Å; V121-M124 WeakPolarHBondContact O-CB 3.32Å; V121-M124 PolarHBondContact O-N 3.24Å; V121-M124 VanDerWaalsContact O-N 3.13Å; A122-M124 PolarHBondContact O-N 2.72Å; M124-S128 WeakPolarHBondContact O-CB 3.34Å; M124-S128 PolarHBondContact O-N 3.28Å; M124-I134 HydrophobicContact CE-CD1 3.41Å; M124-I134 VanDerWaalsContact CE-CD1 3.41Å
125L96.5Very high96.8Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-67.4-38.4175.1-64.8174.8000112.2V121 A122 K123 L131 I134 F149 A152 L153 N156 I159V121-L125 HydrophobicContact CG1-CD1 4.22Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CG 3.31Å; V121-L125 PolarHBondContact O-N 2.88Å; A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 PolarHBondContact O-N 2.89Å; K123-L125 VanDerWaalsContact C-N 3.27Å; K123-L125 PolarHBondContact O-N 3.39Å; L125-L131 HydrophobicContact CD2-CD2 4.19Å; L125-I134 HydrophobicContact CD2-CD1 3.86Å; L125-I134 HydrophobicContact CD2-CG2 4.04Å; L125-F149 HydrophobicContact CD1-CD1 4.34Å; L125-A152 HydrophobicContact CB-CB 4.16Å; L125-L153 HydrophobicContact CD1-CG 4.39Å; L125-N156 PolarHBondContact O-ND2 2.87Å; L125-I159 HydrophobicContact CD2-CD1 3.96Å; L125-I159 HydrophobicContact CD2-CG1 4.1Å
126M94.4Very high96.9Very high97 Ų9743.6 Ų43.648%0.47821%0.208SC..Hα-helixtrans-69.8-43.9177.8-69.9-175-68.600112.7A122 K123 A152A122-M126 WeakPolarHBondContact O-CG 3.49Å; A122-M126 PolarHBondContact O-N 2.93Å; K123-M126 HydrophobicContact CB-CE 4.43Å; K123-M126 PolarHBondContact O-N 3.38Å; K123-M126 VanDerWaalsContact O-N 3.15Å; M126-A152 HydrophobicContact CG-CB 3.73Å; M126-A152 HydrophobicContact SD-CB 4.4Å
127D93.2Very high97Very high59 Ų5936.6 Ų36.632%0.31618%0.177SC..Hα-helixtrans-82.7-29-171.6-72.9-16000113R98 K123 I129R98-D127 HydrophobicContact CB-CB 4.41Å; R98-D127 HydrophobicContact CG-CB 4.31Å; K123-D127 WeakPolarHBondContact O-CB 3.43Å; K123-D127 PolarHBondContact O-N 2.83Å; D127-I129 PolarHBondContact O-N 3.01Å
128S92.6Very high97Very high2 Ų237.4 Ų37.41%0.01419%0.185CC..  trans-71.3122.6-178.5163.80000111.9M124 L131M124-S128 WeakPolarHBondContact O-CB 3.34Å; M124-S128 PolarHBondContact O-N 3.28Å; S128-L131 WeakPolarHBondContact OG-CB 3.41Å; S128-L131 PolarHBondContact OG-N 2.84Å; S128-L131 VanDerWaalsContact OG-N 3.09Å
129I93.6Very high97Very high99 Ų9937.6 Ų37.651%0.50819%0.186SC..SBendtrans-94.9-12.1176.566.2167.9000114.3F101 D127 R158F101-I129 HydrophobicContact CD1-CD1 3.37Å; F101-I129 HydrophobicContact CD1-CG1 3.45Å; F101-I129 VanDerWaalsContact CD1-CG1 3.45Å; F101-I129 HydrophobicContact CE1-CD1 3.63Å; F101-I129 HydrophobicContact CE1-CG1 3.92Å; F101-I129 HydrophobicContact CG-CD1 4.17Å; F101-I129 HydrophobicContact CG-CG1 4.44Å; D127-I129 PolarHBondContact O-N 3.01Å; I129-R158 WeakPolarHBondContact O-CD 3.35Å
130S96Very high97.1Very high15 Ų1532.5 Ų32.511%0.10517%0.168CC..SBendtrans-106.9-26.4-175.758.80000114.4F101 I103 K132F101-S130 VanDerWaalsContact C-CB 3.45Å; F101-S130 VanDerWaalsContact O-CB 3.24Å; F101-S130 WeakPolarHBondContact O-CB 3.36Å; I103-S130 CarbonylContact O-C 3.19Å; I103-S130 WeakPolarHBondContact O-CB 3.39Å; I103-S130 PolarHBondContact O-OG 3.17Å; S130-K132 PolarHBondContact O-N 3Å
131L98Very high97.1Very high1 Ų129.9 Ų29.91%0.00516%0.156CC..  trans-63.7130.9-176.6-161.672.3000111.7L97 I103 L106 L125 S128 S133 I134 I159L97-L131 HydrophobicContact CD1-CD2 4.47Å; I103-L131 HydrophobicContact CG2-CD1 4.36Å; L106-L131 HydrophobicContact CB-CD1 3.75Å; L125-L131 HydrophobicContact CD2-CD2 4.19Å; S128-L131 WeakPolarHBondContact OG-CB 3.41Å; S128-L131 PolarHBondContact OG-N 2.84Å; S128-L131 VanDerWaalsContact OG-N 3.09Å; L131-S133 WeakPolarHBondContact CD1-O 3.2Å; L131-I134 HydrophobicContact CD2-CB 4.09Å; L131-I134 HydrophobicContact CD2-CD1 4.21Å; L131-I134 HydrophobicContact CD2-CG1 4.38Å; L131-I159 HydrophobicContact CB-CD1 4.1Å; L131-I159 HydrophobicContact CD2-CD1 3.97Å; L131-I159 HydrophobicContact CG-CD1 3.91Å; L131-I159 WeakPolarHBondContact O-CD1 3.04Å
132K98.5Very high97.1Very high94 Ų9433.7 Ų33.741%0.40918%0.176SC..  trans-120.6-25.9179.1-63.2177.2-175.5165.90112.6Q104 S130 K160 D161Q104-K132 PolarHBondContact O-N 2.76Å; S130-K132 PolarHBondContact O-N 3Å; K132-K160 PolarHBondContact O-N 3.37Å; K132-D161 PolarHBondContact O-N 3.14Å
133S98.8Very high97.1Very high8 Ų835.2 Ų35.26%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-136.2134.2180174.90000109.9Q104 H105 L106 L131 D161Q104-S133 PolarHBondContact O-N 3.39Å; H105-S133 WeakPolarHBondContact CA-O 3.38Å; H105-S133 WeakPolarHBondContact ND1-CB 3.32Å; L106-S133 PolarHBondContact N-O 3.49Å; L131-S133 WeakPolarHBondContact CD1-O 3.2Å; S133-D161 VanDerWaalsContact CA-O 3.28Å; S133-D161 WeakPolarHBondContact CA-O 3.08Å; S133-D161 PolarHBondContact OG-OD2 2.72Å; S133-D161 VanDerWaalsContact OG-OD2 3.06Å
134I98.8Very high97.2Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-136.1129.9174.1-165176.7000110.5L106 V121 M124 L125 L131 L136 D161 L162 D163L106-I134 WeakPolarHBondContact O-CA 3.33Å; V121-I134 HydrophobicContact CG1-CD1 4.17Å; M124-I134 HydrophobicContact CE-CD1 3.41Å; M124-I134 VanDerWaalsContact CE-CD1 3.41Å; L125-I134 HydrophobicContact CD2-CD1 3.86Å; L125-I134 HydrophobicContact CD2-CG2 4.04Å; L131-I134 HydrophobicContact CD2-CB 4.09Å; L131-I134 HydrophobicContact CD2-CD1 4.21Å; L131-I134 HydrophobicContact CD2-CG1 4.38Å; I134-L136 HydrophobicContact CD1-CD1 4.01Å; I134-L136 HydrophobicContact CD1-CD2 4.06Å; I134-L136 HydrophobicContact CD1-CG 4.04Å; I134-L136 HydrophobicContact CG1-CD1 4.35Å; I134-L136 HydrophobicContact CG1-CD2 4.33Å; I134-L136 HydrophobicContact CG1-CG 4.03Å; I134-L136 HydrophobicContact CG2-CD1 4.4Å; I134-D161 PolarHBondContact N-O 3.14Å; I134-L162 HydrophobicContact CG2-CD1 3.49Å; I134-L162 VanDerWaalsContact CG2-CD1 3.49Å; I134-D163 PolarHBondContact O-N 3.48Å; I134-D163 VanDerWaalsContact O-N 3.08Å
135K98.8Very high97.3Very high85 Ų8534.7 Ų34.737%0.3719%0.186SC..EExtended strand (participates in β ladder)trans-108.7123.8172.9-55.4-175177.81790111L106 D107 L108 D163L106-K135 PolarHBondContact O-N 2.98Å; D107-K135 HydrophobicContact CB-CB 4.28Å; D107-K135 HydrophobicContact CB-CD 4.39Å; L108-K135 CarbonylContact C-O 3.46Å; L108-K135 WeakPolarHBondContact CA-O 3.44Å; L108-K135 PolarHBondContact N-O 2.86Å; K135-D163 HydrophobicContact CB-CB 4.19Å; K135-D163 HydrophobicContact CG-CB 4.1Å
136L98.9Very high97.4Very high0 Ų034.7 Ų34.70%019%0.186CC..  trans-127.618.7-174.2-68.6168.1000111.4L108 V121 I134 N139 F141 F149 L162 D163 L164 N167L108-L136 HydrophobicContact CB-CD2 4.13Å; L108-L136 HydrophobicContact CD1-CD2 4.28Å; V121-L136 HydrophobicContact CG1-CD1 3.68Å; V121-L136 HydrophobicContact CG1-CD2 4.01Å; V121-L136 HydrophobicContact CG1-CG 4.5Å; V121-L136 HydrophobicContact CG2-CD2 4.09Å; I134-L136 HydrophobicContact CD1-CD1 4.01Å; I134-L136 HydrophobicContact CD1-CD2 4.06Å; I134-L136 HydrophobicContact CD1-CG 4.04Å; I134-L136 HydrophobicContact CG1-CD1 4.35Å; I134-L136 HydrophobicContact CG1-CD2 4.33Å; I134-L136 HydrophobicContact CG1-CG 4.03Å; I134-L136 HydrophobicContact CG2-CD1 4.4Å; L136-N139 VanDerWaalsContact C-ND2 3.31Å; L136-N139 PolarHBondContact O-ND2 3.07Å; L136-F141 HydrophobicContact CB-CE2 4.09Å; L136-F141 HydrophobicContact CD2-CE2 4.43Å; L136-F149 HydrophobicContact CD1-CE1 4.24Å; L136-L162 HydrophobicContact CD1-CD1 4.41Å; L136-D163 CarbonylContact C-O 3.57Å; L136-D163 WeakPolarHBondContact CA-O 3.35Å; L136-D163 WeakPolarHBondContact CB-O 3.31Å; L136-D163 PolarHBondContact N-O 2.95Å; L136-L164 HydrophobicContact CB-CD2 4.03Å; L136-L164 HydrophobicContact CD1-CD2 3.91Å; L136-N167 PolarHBondContact O-ND2 3.16Å
137S98.8Very high97.5Very high10 Ų1034.4 Ų34.47%0.0718%0.182CC..THydrogen-bonded Turntrans-56141.7-178.2-175.30000112.4S109 N110 N139 S165S109-S137 CarbonylContact C-O 3.19Å; S109-S137 WeakPolarHBondContact CA-O 3.32Å; N110-S137 PolarHBondContact N-O 2.82Å; S137-N139 PolarHBondContact O-N 3.09Å; S137-N139 PolarHBondContact O-ND2 3.27Å; S137-S165 CarbonylContact C-O 3.52Å; S137-S165 WeakPolarHBondContact CA-O 3.27Å; S137-S165 WeakPolarHBondContact CB-OG 3.46Å; S137-S165 PolarHBondContact OG-O 3.06Å; S137-S165 PolarHBondContact OG-OG 3.48Å
138G98Very high97.8Very high17 Ų1734.2 Ų34.218%0.17518%0.179CC..THydrogen-bonded Turntrans67.928.8168.700000115.4N110 S165 H166N110-G138 WeakPolarHBondContact CA-O 3.33Å; G138-S165 PolarHBondContact N-O 3.26Å; G138-H166 VanDerWaalsContact CA-O 3.27Å; G138-H166 WeakPolarHBondContact CA-O 3.43Å; G138-H166 PolarHBondContact N-O 2.76Å
139N98.8Very high98Very high3 Ų334.2 Ų34.22%0.01618%0.179CC..SBendtrans-99.8-6.7-176.2-85-57.2000115L108 N111 H112 V113 K114 L136 S137 F141 N167L108-N139 PolarHBondContact O-ND2 3.26Å; N111-N139 WeakPolarHBondContact CA-OD1 3.24Å; N111-N139 PolarHBondContact N-OD1 3.31Å; H112-N139 PolarHBondContact N-OD1 2.89Å; V113-N139 HydrophobicContact CB-CB 4.05Å; V113-N139 HydrophobicContact CG2-CB 4.4Å; V113-N139 VanDerWaalsContact CG2-OD1 3.26Å; V113-N139 WeakPolarHBondContact CG2-OD1 3.11Å; V113-N139 PolarHBondContact N-OD1 3.34Å; K114-N139 WeakPolarHBondContact CA-O 3.29Å; K114-N139 PolarHBondContact N-O 3.03Å; L136-N139 VanDerWaalsContact C-ND2 3.31Å; L136-N139 PolarHBondContact O-ND2 3.07Å; S137-N139 PolarHBondContact O-N 3.09Å; S137-N139 PolarHBondContact O-ND2 3.27Å; N139-F141 HydrophobicContact CB-CD2 3.93Å; N139-F141 HydrophobicContact CB-CE2 3.46Å; N139-F141 VanDerWaalsContact CB-CE2 3.46Å; N139-F141 HydrophobicContact CB-CZ 3.93Å; N139-N167 PolarHBondContact N-OD1 3.47Å; N139-N167 VanDerWaalsContact N-OD1 3.12Å
140G98.2Very high98.2Very high23 Ų2329.9 Ų29.924%0.23716%0.157CC..  trans76.730.6176.200000113.6N167G140-N167 PolarHBondContact N-OD1 2.95Å
141F98.8Very high98.2Very high0 Ų034 Ų340%018%0.175CC..  trans-65142.5170.2-62.2-60.5000111.2V113 K114 A118 V121 L136 N139 D145 F149 N167 K168 F169V113-F141 HydrophobicContact CB-CE1 4.36Å; V113-F141 HydrophobicContact CB-CZ 4Å; V113-F141 HydrophobicContact CG1-CE1 3.91Å; V113-F141 HydrophobicContact CG1-CZ 3.75Å; K114-F141 VanDerWaalsContact O-CE1 3.31Å; K114-F141 WeakPolarHBondContact O-CE1 3.38Å; A118-F141 HydrophobicContact CB-CD1 3.97Å; A118-F141 HydrophobicContact CB-CE1 3.86Å; V121-F141 HydrophobicContact CG2-CZ 4.38Å; L136-F141 HydrophobicContact CB-CE2 4.09Å; L136-F141 HydrophobicContact CD2-CE2 4.43Å; N139-F141 HydrophobicContact CB-CD2 3.93Å; N139-F141 HydrophobicContact CB-CE2 3.46Å; N139-F141 VanDerWaalsContact CB-CE2 3.46Å; N139-F141 HydrophobicContact CB-CZ 3.93Å; F141-D145 WeakPolarHBondContact CA-OD2 3.49Å; F141-D145 HydrophobicContact CB-CB 4.09Å; F141-D145 HydrophobicContact CD1-CB 4.08Å; F141-D145 HydrophobicContact CG-CB 4.49Å; F141-F149 HydrophobicContact CB-CE2 4.48Å; F141-F149 HydrophobicContact CD1-CE2 4.29Å; F141-F149 AromaticContact CD1-CZ 3.99Å; F141-F149 HydrophobicContact CD1-CZ 3.99Å; F141-F149 HydrophobicContact CD2-CE2 4.27Å; F141-F149 HydrophobicContact CD2-CZ 4.07Å; F141-F149 AromaticContact CE1-CZ 3.93Å; F141-F149 HydrophobicContact CE1-CZ 3.93Å; F141-F149 HydrophobicContact CE2-CZ 4.02Å; F141-F149 HydrophobicContact CG-CE2 4.09Å; F141-F149 HydrophobicContact CG-CZ 4.07Å; F141-F149 AromaticContact CZ-CZ 3.95Å; F141-F149 HydrophobicContact CZ-CZ 3.95Å; F141-N167 HydrophobicContact CB-CB 4.24Å; F141-N167 WeakPolarHBondContact CD2-OD1 3.44Å; F141-N167 PolarHBondContact N-OD1 2.96Å; F141-K168 CarbonylContact O-C 3.44Å; F141-K168 WeakPolarHBondContact O-CA 3.39Å; F141-K168 WeakPolarHBondContact O-CB 3.29Å; F141-K168 PolarHBondContact O-N 2.83Å; F141-F169 HydrophobicContact CB-CE1 3.86Å; F141-F169 HydrophobicContact CB-CE2 4.33Å; F141-F169 HydrophobicContact CB-CZ 3.54Å; F141-F169 HydrophobicContact CG-CZ 4.37Å
142L98.4Very high98.1Very high81 Ų8134 Ų3442%0.42418%0.175SC..  trans-109.9178.2-179.7-53.4-177.5000110.7D144 D145 K168 F169L142-D144 PolarHBondContact O-N 2.87Å; L142-D145 PolarHBondContact N-OD2 3.34Å; L142-D145 WeakPolarHBondContact O-CB 3.38Å; L142-D145 PolarHBondContact O-N 3.35Å; L142-D145 VanDerWaalsContact O-N 3.09Å; L142-K168 HydrophobicContact CD2-CB 3.85Å; L142-K168 HydrophobicContact CD2-CD 3.89Å; L142-K168 HydrophobicContact CD2-CG 4.43Å; L142-F169 WeakPolarHBondContact O-CD1 3.22Å; L142-F169 VanDerWaalsContact O-CE1 3.28Å; L142-F169 WeakPolarHBondContact O-CE1 3.22Å
143D98Very high98Very high36 Ų3629.5 Ų29.519%0.19316%0.155CC..Hα-helixtrans-52.7-46.4-177.9-77.9-14.5000114.8D145 A146 C170 K172 G173 Y176D143-D145 PolarHBondContact O-N 3.47Å; D143-A146 VanDerWaalsContact O-CB 3.27Å; D143-A146 WeakPolarHBondContact O-CB 3.15Å; D143-A146 PolarHBondContact O-N 2.96Å; D143-C170 WeakPolarHBondContact OD1-CA 3.09Å; D143-C170 PolarHBondContact OD1-N 3.29Å; D143-K172 HydrophobicContact CB-CB 3.96Å; D143-K172 HydrophobicContact CB-CD 4.39Å; D143-K172 HydrophobicContact CB-CG 4.4Å; D143-K172 WeakPolarHBondContact OD2-CB 3.48Å; D143-G173 WeakPolarHBondContact OD1-CA 3.45Å; D143-G173 PolarHBondContact OD1-N 2.93Å; D143-Y176 WeakPolarHBondContact O-CD2 3.07Å
144D98.1Very high97.8Very high91 Ų9131.5 Ų31.549%0.48717%0.169SC..Hα-helixtrans-72.1-19.9-177-71-20.3000112.7L142 A146 K147 H148 K172L142-D144 PolarHBondContact O-N 2.87Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 3.37Å; D144-K147 WeakPolarHBondContact O-CB 3.43Å; D144-K147 PolarHBondContact O-N 2.9Å; D144-H148 PolarHBondContact O-ND1 3.03Å; D144-K172 VanDerWaalsContact OD1-CE 3.31Å; D144-K172 WeakPolarHBondContact OD1-CE 3.5Å; D144-K172 IonicContact OD1-NZ 3.49Å; D144-K172 PolarHBondContact OD1-NZ 3.19Å; D144-K172 IonicContact OD2-NZ 3.69Å
145D98.3Very high97.4Very high8 Ų835.9 Ų35.94%0.04320%0.196CC..Hα-helixtrans-69.8-30.2175.5-58.6-35.5000110.9S115 A118 F141 L142 D143 K147 H148 F149S115-D145 VanDerWaalsContact CA-OD1 3.28Å; S115-D145 WeakPolarHBondContact CA-OD1 3.31Å; S115-D145 WeakPolarHBondContact CA-OD2 3.49Å; S115-D145 WeakPolarHBondContact CB-OD1 3.3Å; S115-D145 WeakPolarHBondContact CB-OD2 3.48Å; S115-D145 PolarHBondContact OG-OD1 3.47Å; S115-D145 PolarHBondContact OG-OD2 3.02Å; A118-D145 HydrophobicContact CB-CB 3.74Å; F141-D145 WeakPolarHBondContact CA-OD2 3.49Å; F141-D145 HydrophobicContact CB-CB 4.09Å; F141-D145 HydrophobicContact CD1-CB 4.08Å; F141-D145 HydrophobicContact CG-CB 4.49Å; L142-D145 PolarHBondContact N-OD2 3.34Å; L142-D145 WeakPolarHBondContact O-CB 3.38Å; L142-D145 PolarHBondContact O-N 3.35Å; L142-D145 VanDerWaalsContact O-N 3.09Å; D143-D145 PolarHBondContact O-N 3.47Å; D145-K147 PolarHBondContact O-N 3.12Å; D145-H148 WeakPolarHBondContact O-CB 3.46Å; D145-H148 PolarHBondContact O-N 2.81Å; D145-H148 VanDerWaalsContact O-N 3.07Å; D145-H148 PolarHBondContact O-ND1 3.48Å; D145-F149 HydrophobicContact CB-CE2 4.38Å; D145-F149 WeakPolarHBondContact O-CD2 3.4Å
146A98.2Very high97.2Very high0 Ų032.1 Ų32.10%018%0.18CC..Hα-helixtrans-57.2-34.2178.100000112.6D143 D144 H148 F149 T150 F169 Y176 L177D143-A146 VanDerWaalsContact O-CB 3.27Å; D143-A146 WeakPolarHBondContact O-CB 3.15Å; D143-A146 PolarHBondContact O-N 2.96Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 3.37Å; A146-H148 VanDerWaalsContact C-N 3.29Å; A146-H148 PolarHBondContact O-N 3.28Å; A146-F149 PolarHBondContact O-N 3.16Å; A146-F149 VanDerWaalsContact O-N 3.14Å; A146-T150 PolarHBondContact O-N 2.7Å; A146-T150 PolarHBondContact O-OG1 3.31Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å; A146-F169 HydrophobicContact CB-CD1 3.97Å; A146-F169 HydrophobicContact CB-CE1 3.8Å; A146-Y176 HydrophobicContact CB-CD2 4.21Å; A146-Y176 HydrophobicContact CB-CG 4.37Å; A146-L177 HydrophobicContact CB-CD2 4.5Å; A146-L177 HydrophobicContact CB-CG 4.26Å
147K97.5Very high97Very high90 Ų9036.5 Ų36.539%0.39120%0.199SC..Hα-helixtrans-56.8-42.1176.8-177.9-175.5165.4-171.90112D144 D145 F149 T150 E151 Y176D144-K147 WeakPolarHBondContact O-CB 3.43Å; D144-K147 PolarHBondContact O-N 2.9Å; D145-K147 PolarHBondContact O-N 3.12Å; K147-F149 VanDerWaalsContact C-N 3.33Å; K147-F149 PolarHBondContact O-N 3.31Å; K147-T150 PolarHBondContact O-N 3.34Å; K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 IonicContact NZ-OE1 2.98Å; K147-E151 WeakPolarHBondContact O-CG 3.47Å; K147-E151 PolarHBondContact O-N 3.09Å; K147-Y176 HydrophobicContact CB-CD1 4.16Å; K147-Y176 HydrophobicContact CB-CD2 4.29Å; K147-Y176 HydrophobicContact CB-CE1 4.08Å; K147-Y176 HydrophobicContact CB-CE2 4.18Å; K147-Y176 HydrophobicContact CB-CG 4.29Å; K147-Y176 HydrophobicContact CD-CE1 4.48Å; K147-Y176 HydrophobicContact CG-CD1 4.47Å; K147-Y176 HydrophobicContact CG-CE1 4.16Å
148H98.2Very high96.9Very high56 Ų5642.5 Ų42.526%0.25922%0.22SC..Hα-helixtrans-64.8-38.9179.5-5795000111.4A122 D144 D145 A146 A152A122-H148 HydrophobicContact CB-CB 3.72Å; A122-H148 WeakPolarHBondContact CB-O 3.46Å; D144-H148 PolarHBondContact O-ND1 3.03Å; D145-H148 WeakPolarHBondContact O-CB 3.46Å; D145-H148 PolarHBondContact O-N 2.81Å; D145-H148 VanDerWaalsContact O-N 3.07Å; D145-H148 PolarHBondContact O-ND1 3.48Å; A146-H148 VanDerWaalsContact C-N 3.29Å; A146-H148 PolarHBondContact O-N 3.28Å; H148-A152 WeakPolarHBondContact O-CB 3.5Å; H148-A152 PolarHBondContact O-N 3.17Å
149F97.8Very high96.9Very high1 Ų141.7 Ų41.70%0.00421%0.212CC..Hα-helixtrans-67.3-42.1175.1-55.3-53000111.5A118 V121 L125 L136 F141 D145 A146 K147 E151 A152 L153 L164 F169 L180A118-F149 HydrophobicContact CB-CZ 4.46Å; V121-F149 HydrophobicContact CB-CE1 4.04Å; V121-F149 HydrophobicContact CG1-CD1 4.42Å; V121-F149 HydrophobicContact CG1-CE1 3.69Å; L125-F149 HydrophobicContact CD1-CD1 4.34Å; L136-F149 HydrophobicContact CD1-CE1 4.24Å; F141-F149 HydrophobicContact CB-CE2 4.48Å; F141-F149 HydrophobicContact CD1-CE2 4.29Å; F141-F149 AromaticContact CD1-CZ 3.99Å; F141-F149 HydrophobicContact CD1-CZ 3.99Å; F141-F149 HydrophobicContact CD2-CE2 4.27Å; F141-F149 HydrophobicContact CD2-CZ 4.07Å; F141-F149 AromaticContact CE1-CZ 3.93Å; F141-F149 HydrophobicContact CE1-CZ 3.93Å; F141-F149 HydrophobicContact CE2-CZ 4.02Å; F141-F149 HydrophobicContact CG-CE2 4.09Å; F141-F149 HydrophobicContact CG-CZ 4.07Å; F141-F149 AromaticContact CZ-CZ 3.95Å; F141-F149 HydrophobicContact CZ-CZ 3.95Å; D145-F149 HydrophobicContact CB-CE2 4.38Å; D145-F149 WeakPolarHBondContact O-CD2 3.4Å; A146-F149 PolarHBondContact O-N 3.16Å; A146-F149 VanDerWaalsContact O-N 3.14Å; K147-F149 VanDerWaalsContact C-N 3.33Å; K147-F149 PolarHBondContact O-N 3.31Å; F149-E151 PolarHBondContact O-N 3.25Å; F149-A152 PolarHBondContact O-N 3.33Å; F149-L153 VanDerWaalsContact O-CB 3.29Å; F149-L153 WeakPolarHBondContact O-CB 3.32Å; F149-L153 WeakPolarHBondContact O-CG 3.47Å; F149-L153 PolarHBondContact O-N 3.08Å; F149-L164 HydrophobicContact CD2-CD2 4.31Å; F149-L164 HydrophobicContact CE2-CD2 4.14Å; F149-L164 HydrophobicContact CZ-CD2 4.38Å; F149-F169 HydrophobicContact CD2-CZ 4.26Å; F149-F169 HydrophobicContact CE2-CE1 4.45Å; F149-F169 AromaticContact CE2-CZ 3.94Å; F149-F169 HydrophobicContact CE2-CZ 3.94Å; F149-L180 HydrophobicContact CB-CD1 4.26Å
150T96.9Very high96.9Very high9 Ų945 Ų456%0.05523%0.226CC..Hα-helixtrans-59.1-46.2175.5-56.90000111.6A146 K147 S154 Y176 Q179 L180A146-T150 PolarHBondContact O-N 2.7Å; A146-T150 PolarHBondContact O-OG1 3.31Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å; K147-T150 PolarHBondContact O-N 3.34Å; T150-S154 VanDerWaalsContact O-CB 3.31Å; T150-S154 WeakPolarHBondContact O-CB 3.45Å; T150-S154 PolarHBondContact O-N 3.46Å; T150-Y176 PolarHBondContact OG1-O 3.23Å; T150-Q179 HydrophobicContact CG2-CB 4.21Å; T150-Q179 HydrophobicContact CG2-CG 4.06Å; T150-L180 HydrophobicContact CG2-CB 4.12Å
151E96Very high96.9Very high102 Ų10246.3 Ų46.348%0.47723%0.227SC..Hα-helixtrans-63.5-49.1177.9-73.4175.7176.900111.2K147 F149 L153 S154K147-E151 WeakPolarHBondContact CE-OE1 3.48Å; K147-E151 IonicContact NZ-OE1 2.98Å; K147-E151 WeakPolarHBondContact O-CG 3.47Å; K147-E151 PolarHBondContact O-N 3.09Å; F149-E151 PolarHBondContact O-N 3.25Å; E151-L153 PolarHBondContact O-N 2.83Å; E151-S154 PolarHBondContact O-N 2.95Å; E151-S154 PolarHBondContact O-OG 3.41Å
152A96.9Very high96.9Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-63.5-44.2-179.200000112.9A122 L125 M126 H148 F149 S154 T155 N156A122-A152 HydrophobicContact CB-CB 3.96Å; A122-A152 WeakPolarHBondContact O-CB 3.25Å; L125-A152 HydrophobicContact CB-CB 4.16Å; M126-A152 HydrophobicContact CG-CB 3.73Å; M126-A152 HydrophobicContact SD-CB 4.4Å; H148-A152 WeakPolarHBondContact O-CB 3.5Å; H148-A152 PolarHBondContact O-N 3.17Å; F149-A152 PolarHBondContact O-N 3.33Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-T155 PolarHBondContact O-N 2.92Å; A152-T155 PolarHBondContact O-OG1 3.01Å; A152-N156 PolarHBondContact O-N 3.48Å
153L96.4Very high96.9Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-82.3-10.7-177.4-67.9164.8000112.9L125 F149 E151 T155 N156 I159 L162 L180 N184L125-L153 HydrophobicContact CD1-CG 4.39Å; F149-L153 VanDerWaalsContact O-CB 3.29Å; F149-L153 WeakPolarHBondContact O-CB 3.32Å; F149-L153 WeakPolarHBondContact O-CG 3.47Å; F149-L153 PolarHBondContact O-N 3.08Å; E151-L153 PolarHBondContact O-N 2.83Å; L153-T155 PolarHBondContact O-N 3.45Å; L153-N156 HydrophobicContact CD2-CB 4.37Å; L153-I159 HydrophobicContact CD2-CB 4.01Å; L153-I159 HydrophobicContact CD2-CG1 4Å; L153-I159 HydrophobicContact CD2-CG2 4.46Å; L153-L162 HydrophobicContact CD1-CD2 3.59Å; L153-L180 HydrophobicContact CB-CD1 4.39Å; L153-L180 HydrophobicContact CB-CG 4.27Å; L153-L180 HydrophobicContact CD1-CD1 3.77Å; L153-L180 HydrophobicContact CD1-CG 4.39Å; L153-N184 PolarHBondContact O-ND2 3.22Å
154S93.5Very high96.9Very high49 Ų4941.7 Ų41.734%0.34320%0.203SC..Hα-helixtrans-64.8-22.5170.470.60000113.1T150 E151 A152 F157T150-S154 VanDerWaalsContact O-CB 3.31Å; T150-S154 WeakPolarHBondContact O-CB 3.45Å; T150-S154 PolarHBondContact O-N 3.46Å; E151-S154 PolarHBondContact O-N 2.95Å; E151-S154 PolarHBondContact O-OG 3.41Å; A152-S154 VanDerWaalsContact C-N 3.34Å; S154-F157 WeakPolarHBondContact O-CZ 3.19Å
155T91.4Very high97Very high92 Ų9237.6 Ų37.656%0.56418%0.182SC*.Hα-helixtrans-115.7-14.6179.462.10000113.4A152 L153A152-T155 PolarHBondContact O-N 2.92Å; A152-T155 PolarHBondContact O-OG1 3.01Å; L153-T155 PolarHBondContact O-N 3.45Å
156N93.6Very high97Very high7 Ų741.5 Ų41.54%0.03720%0.2CC..  trans-98.9112.3177-173.7-44.2000111.7L125 A152 L153 R158 I159 N184L125-N156 PolarHBondContact O-ND2 2.87Å; A152-N156 PolarHBondContact O-N 3.48Å; L153-N156 HydrophobicContact CD2-CB 4.37Å; N156-R158 WeakPolarHBondContact OD1-CA 3.35Å; N156-R158 WeakPolarHBondContact OD1-CB 3.34Å; N156-R158 PolarHBondContact OD1-N 2.79Å; N156-I159 PolarHBondContact OD1-N 3.37Å; N156-N184 PolarHBondContact O-ND2 2.97Å
157F95Very high97Very high92 Ų9241.7 Ų41.740%0.40420%0.201SC..  trans-1069.6176.4-43.4-61.2000113.8S154 E185 G186S154-F157 WeakPolarHBondContact O-CZ 3.19Å; F157-E185 HydrophobicContact CD1-CB 4.26Å; F157-G186 WeakPolarHBondContact O-CA 3.49Å
158R96.6Very high97Very high135 Ų13543.1 Ų43.151%0.50921%0.207SC..  trans-88.2-33-178.2-69.3170175.266.13.5112.4I129 N156 K160I129-R158 WeakPolarHBondContact O-CD 3.35Å; N156-R158 WeakPolarHBondContact OD1-CA 3.35Å; N156-R158 WeakPolarHBondContact OD1-CB 3.34Å; N156-R158 PolarHBondContact OD1-N 2.79Å; R158-K160 PolarHBondContact O-N 2.89Å
159I98.1Very high97Very high1 Ų140.5 Ų40.51%0.00519%0.194CC..  trans-66.3117.9175.4-58.4-64.6000108.6L125 L131 L153 N156 L162 G186 V187L125-I159 HydrophobicContact CD2-CD1 3.96Å; L125-I159 HydrophobicContact CD2-CG1 4.1Å; L131-I159 HydrophobicContact CB-CD1 4.1Å; L131-I159 HydrophobicContact CD2-CD1 3.97Å; L131-I159 HydrophobicContact CG-CD1 3.91Å; L131-I159 WeakPolarHBondContact O-CD1 3.04Å; L153-I159 HydrophobicContact CD2-CB 4.01Å; L153-I159 HydrophobicContact CD2-CG1 4Å; L153-I159 HydrophobicContact CD2-CG2 4.46Å; N156-I159 PolarHBondContact OD1-N 3.37Å; I159-L162 HydrophobicContact CG2-CB 4.31Å; I159-G186 CarbonylContact O-C 3.45Å; I159-V187 HydrophobicContact CG2-CG2 4.4Å; I159-V187 WeakPolarHBondContact O-CA 3.43Å; I159-V187 PolarHBondContact O-N 2.72Å
160K98.5Very high97Very high73 Ų7342.6 Ų42.632%0.31721%0.209SC..  trans-101.8-29.8178.4-61.8-47.4-165.31590112.4K132 R158 G186 E188 V189K132-K160 PolarHBondContact O-N 3.37Å; R158-K160 PolarHBondContact O-N 2.89Å; K160-G186 WeakPolarHBondContact CD-O 3.41Å; K160-G186 PolarHBondContact NZ-O 3.27Å; K160-E188 HydrophobicContact CD-CG 4.26Å; K160-E188 WeakPolarHBondContact CD-OE1 2.98Å; K160-E188 VanDerWaalsContact CE-OE1 3.31Å; K160-E188 WeakPolarHBondContact CE-OE1 3.34Å; K160-E188 IonicContact NZ-OE1 3.87Å; K160-E188 PolarHBondContact NZ-OE1 3.11Å; K160-E188 PolarHBondContact O-N 3.2Å; K160-V189 PolarHBondContact O-N 3.33Å
161D98.7Very high97Very high49 Ų4943.2 Ų43.226%0.26222%0.217SC..EExtended strand (participates in β ladder)trans-130.4117.3-175177.411.3000109.9K132 S133 I134 V189K132-D161 PolarHBondContact O-N 3.14Å; S133-D161 VanDerWaalsContact CA-O 3.28Å; S133-D161 WeakPolarHBondContact CA-O 3.08Å; S133-D161 PolarHBondContact OG-OD2 2.72Å; S133-D161 VanDerWaalsContact OG-OD2 3.06Å; I134-D161 PolarHBondContact N-O 3.14Å; D161-V189 WeakPolarHBondContact CA-O 3.24Å; D161-V189 HydrophobicContact CB-CB 4.3Å
162L98.8Very high97Very high1 Ų142.6 Ų42.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-129.2117.3-176.6176.861.1000109.9I134 L136 L153 I159 L164 V187 V189 L190 D191I134-L162 HydrophobicContact CG2-CD1 3.49Å; I134-L162 VanDerWaalsContact CG2-CD1 3.49Å; L136-L162 HydrophobicContact CD1-CD1 4.41Å; L153-L162 HydrophobicContact CD1-CD2 3.59Å; I159-L162 HydrophobicContact CG2-CB 4.31Å; L162-L164 HydrophobicContact CD1-CD1 4.32Å; L162-L164 HydrophobicContact CD1-CD2 4.5Å; L162-L164 HydrophobicContact CD1-CG 3.99Å; L162-L164 HydrophobicContact CD2-CD1 3.85Å; L162-L164 HydrophobicContact CD2-CG 4.35Å; L162-L164 HydrophobicContact CG-CD1 4.08Å; L162-L164 HydrophobicContact CG-CG 4.03Å; L162-V187 HydrophobicContact CB-CG1 4.36Å; L162-V189 PolarHBondContact N-O 2.9Å; L162-L190 HydrophobicContact CB-CD1 4.17Å; L162-L190 HydrophobicContact CD2-CD1 4.01Å; L162-L190 HydrophobicContact CG-CD1 4.01Å; L162-L190 WeakPolarHBondContact O-CA 3.35Å; L162-L190 WeakPolarHBondContact O-CD1 3.41Å; L162-D191 PolarHBondContact O-N 3.33Å
163D98.8Very high97.1Very high20 Ų2042.6 Ų42.611%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-109.4113.7173.1171.110.5000110.2I134 K135 L136 S165 D191I134-D163 PolarHBondContact O-N 3.48Å; I134-D163 VanDerWaalsContact O-N 3.08Å; K135-D163 HydrophobicContact CB-CB 4.19Å; K135-D163 HydrophobicContact CG-CB 4.1Å; L136-D163 CarbonylContact C-O 3.57Å; L136-D163 WeakPolarHBondContact CA-O 3.35Å; L136-D163 WeakPolarHBondContact CB-O 3.31Å; L136-D163 PolarHBondContact N-O 2.95Å; D163-S165 WeakPolarHBondContact OD1-CB 3.19Å; D163-S165 PolarHBondContact OD1-N 2.92Å; D163-S165 PolarHBondContact OD1-OG 2.91Å; D163-D191 HydrophobicContact CB-CB 4.24Å
164L98.8Very high97.1Very high0 Ų042.6 Ų42.60%021%0.213CC..  trans-118.219.2176.8-76.3173.6000111.4L136 F149 L162 N167 F169 L177 D191 L192 N195L136-L164 HydrophobicContact CB-CD2 4.03Å; L136-L164 HydrophobicContact CD1-CD2 3.91Å; F149-L164 HydrophobicContact CD2-CD2 4.31Å; F149-L164 HydrophobicContact CE2-CD2 4.14Å; F149-L164 HydrophobicContact CZ-CD2 4.38Å; L162-L164 HydrophobicContact CD1-CD1 4.32Å; L162-L164 HydrophobicContact CD1-CD2 4.5Å; L162-L164 HydrophobicContact CD1-CG 3.99Å; L162-L164 HydrophobicContact CD2-CD1 3.85Å; L162-L164 HydrophobicContact CD2-CG 4.35Å; L162-L164 HydrophobicContact CG-CD1 4.08Å; L162-L164 HydrophobicContact CG-CG 4.03Å; L164-N167 PolarHBondContact O-ND2 2.89Å; L164-F169 HydrophobicContact CB-CE2 4.09Å; L164-F169 HydrophobicContact CD2-CE2 4.3Å; L164-F169 HydrophobicContact CD2-CZ 4.41Å; L164-L177 HydrophobicContact CD1-CD2 4.08Å; L164-D191 CarbonylContact C-O 3.35Å; L164-D191 WeakPolarHBondContact CA-O 3.24Å; L164-D191 PolarHBondContact N-O 2.8Å; L164-L192 HydrophobicContact CB-CD2 3.64Å; L164-L192 HydrophobicContact CD1-CD2 4.29Å; L164-N195 PolarHBondContact O-ND2 3.4Å; L164-N195 VanDerWaalsContact O-ND2 3.1Å
165S98.8Very high97.4Very high4 Ų445 Ų453%0.02822%0.218CC..THydrogen-bonded Turntrans-63.4164.5-178.765.20000113.2S137 G138 D163 N167 D191 S193S137-S165 CarbonylContact C-O 3.52Å; S137-S165 WeakPolarHBondContact CA-O 3.27Å; S137-S165 WeakPolarHBondContact CB-OG 3.46Å; S137-S165 PolarHBondContact OG-O 3.06Å; S137-S165 PolarHBondContact OG-OG 3.48Å; G138-S165 PolarHBondContact N-O 3.26Å; D163-S165 WeakPolarHBondContact OD1-CB 3.19Å; D163-S165 PolarHBondContact OD1-N 2.92Å; D163-S165 PolarHBondContact OD1-OG 2.91Å; S165-N167 PolarHBondContact O-N 3.02Å; S165-N167 PolarHBondContact O-ND2 2.8Å; S165-D191 WeakPolarHBondContact CB-OD1 3.36Å; S165-D191 PolarHBondContact N-O 3.02Å; S165-S193 CarbonylContact C-O 3.34Å; S165-S193 WeakPolarHBondContact CA-O 3.48Å; S165-S193 VanDerWaalsContact CB-O 3.3Å; S165-S193 WeakPolarHBondContact CB-O 3.48Å; S165-S193 WeakPolarHBondContact CB-OG 3.26Å
166H97.9Very high97.7Very high91 Ų9143.1 Ų43.142%0.42120%0.201SC..THydrogen-bonded Turntrans53.431.5175.4-65.8-87000114.3G138 S193 W194G138-H166 VanDerWaalsContact CA-O 3.27Å; G138-H166 WeakPolarHBondContact CA-O 3.43Å; G138-H166 PolarHBondContact N-O 2.76Å; H166-S193 PolarHBondContact N-O 3.16Å; H166-W194 WeakPolarHBondContact CA-O 3.45Å; H166-W194 HydrophobicContact CB-CB 4.36Å; H166-W194 AromaticContact CE1-CD1 3.26Å; H166-W194 AromaticContact CE1-CD2 3.63Å; H166-W194 AromaticContact CE1-CE2 3.93Å; H166-W194 AromaticContact CE1-CG 3.2Å; H166-W194 AromaticContact CE1-NE1 3.69Å; H166-W194 WeakPolarHBondContact ND1-CB 3.46Å; H166-W194 AromaticContact ND1-CD1 3.99Å; H166-W194 AromaticContact ND1-CD2 3.91Å; H166-W194 AromaticContact ND1-CG 3.49Å; H166-W194 AromaticContact NE2-CD1 3.48Å; H166-W194 AromaticContact NE2-CG 3.76Å
167N98.7Very high97.9Very high4 Ų442.9 Ų42.92%0.02120%0.2CC..SBendtrans-103-162.9172.1-75.5-66.6000109.6L136 N139 G140 F141 L164 S165 F169 N195L136-N167 PolarHBondContact O-ND2 3.16Å; N139-N167 PolarHBondContact N-OD1 3.47Å; N139-N167 VanDerWaalsContact N-OD1 3.12Å; G140-N167 PolarHBondContact N-OD1 2.95Å; F141-N167 HydrophobicContact CB-CB 4.24Å; F141-N167 WeakPolarHBondContact CD2-OD1 3.44Å; F141-N167 PolarHBondContact N-OD1 2.96Å; L164-N167 PolarHBondContact O-ND2 2.89Å; S165-N167 PolarHBondContact O-N 3.02Å; S165-N167 PolarHBondContact O-ND2 2.8Å; N167-F169 HydrophobicContact CB-CD2 3.94Å; N167-F169 HydrophobicContact CB-CE2 3.71Å; N167-F169 HydrophobicContact CB-CZ 4.4Å; N167-N195 WeakPolarHBondContact CA-OD1 3.46Å; N167-N195 WeakPolarHBondContact CB-OD1 3.21Å; N167-N195 PolarHBondContact N-OD1 3.24Å; N167-N195 PolarHBondContact O-OD1 3.09Å
168K98.1Very high98.1Very high120 Ų12038.7 Ų38.752%0.52218%0.183SC..  trans-124.835.5-176.1-55.3-179.5-179.7-179.10111.6F141 L142 C170 N195F141-K168 CarbonylContact O-C 3.44Å; F141-K168 WeakPolarHBondContact O-CA 3.39Å; F141-K168 WeakPolarHBondContact O-CB 3.29Å; F141-K168 PolarHBondContact O-N 2.83Å; L142-K168 HydrophobicContact CD2-CB 3.85Å; L142-K168 HydrophobicContact CD2-CD 3.89Å; L142-K168 HydrophobicContact CD2-CG 4.43Å; K168-C170 PolarHBondContact O-N 3.26Å; K168-C170 PolarHBondContact O-SG 3.1Å; K168-C170 VanDerWaalsContact O-SG 3.37Å; K168-N195 PolarHBondContact N-OD1 2.91Å
169F98.4Very high98.2Very high0 Ų037.1 Ų37.10%018%0.181CC..  trans-68.6120.7172.7-57.9-60.9000109.7F141 L142 A146 F149 L164 N167 L177 L192 N195 H196 L197F141-F169 HydrophobicContact CB-CE1 3.86Å; F141-F169 HydrophobicContact CB-CE2 4.33Å; F141-F169 HydrophobicContact CB-CZ 3.54Å; F141-F169 HydrophobicContact CG-CZ 4.37Å; L142-F169 WeakPolarHBondContact O-CD1 3.22Å; L142-F169 VanDerWaalsContact O-CE1 3.28Å; L142-F169 WeakPolarHBondContact O-CE1 3.22Å; A146-F169 HydrophobicContact CB-CD1 3.97Å; A146-F169 HydrophobicContact CB-CE1 3.8Å; F149-F169 HydrophobicContact CD2-CZ 4.26Å; F149-F169 HydrophobicContact CE2-CE1 4.45Å; F149-F169 AromaticContact CE2-CZ 3.94Å; F149-F169 HydrophobicContact CE2-CZ 3.94Å; L164-F169 HydrophobicContact CB-CE2 4.09Å; L164-F169 HydrophobicContact CD2-CE2 4.3Å; L164-F169 HydrophobicContact CD2-CZ 4.41Å; N167-F169 HydrophobicContact CB-CD2 3.94Å; N167-F169 HydrophobicContact CB-CE2 3.71Å; N167-F169 HydrophobicContact CB-CZ 4.4Å; F169-L177 HydrophobicContact CB-CD1 4.16Å; F169-L177 HydrophobicContact CD2-CD1 4.1Å; F169-L177 HydrophobicContact CG-CD1 4.01Å; F169-L192 HydrophobicContact CD2-CD2 4.35Å; F169-N195 HydrophobicContact CB-CB 4.36Å; F169-N195 WeakPolarHBondContact CD2-OD1 3.29Å; F169-N195 PolarHBondContact N-OD1 2.99Å; F169-N195 VanDerWaalsContact N-OD1 3.08Å; F169-H196 CarbonylContact O-C 3.31Å; F169-H196 VanDerWaalsContact O-CA 3.25Å; F169-H196 WeakPolarHBondContact O-CA 3.49Å; F169-H196 PolarHBondContact O-N 3.03Å; F169-L197 HydrophobicContact CB-CD2 4.05Å; F169-L197 PolarHBondContact O-N 2.85Å
170C97.3Very high98.1Very high46 Ų4637.3 Ų37.331%0.31118%0.182SC..  trans-107.3-149.8177.5-55.20000110.3D143 K168 K172 G173 G174 H196 L197D143-C170 WeakPolarHBondContact OD1-CA 3.09Å; D143-C170 PolarHBondContact OD1-N 3.29Å; K168-C170 PolarHBondContact O-N 3.26Å; K168-C170 PolarHBondContact O-SG 3.1Å; K168-C170 VanDerWaalsContact O-SG 3.37Å; C170-K172 PolarHBondContact O-N 2.88Å; C170-G173 PolarHBondContact O-N 3.11Å; C170-G174 PolarHBondContact O-N 3.43Å; C170-H196 VanDerWaalsContact CA-O 3.32Å; C170-H196 WeakPolarHBondContact CA-O 3.19Å; C170-H196 HydrophobicContact CB-CB 4.39Å; C170-L197 CarbonylContact C-O 3.53Å
171G95.9Very high98.1Very high22 Ų2234 Ų3423%0.22717%0.168CC..Hα-helixtrans-57.7-49.7-177.500000113.9G174 E175 L197 G201G171-G174 PolarHBondContact O-N 3.28Å; G171-E175 PolarHBondContact O-N 2.77Å; G171-E175 VanDerWaalsContact O-N 3.15Å; G171-L197 WeakPolarHBondContact CA-O 3.16Å; G171-L197 PolarHBondContact N-O 3.31Å; G171-G201 VanDerWaalsContact O-CA 3.31Å; G171-G201 WeakPolarHBondContact O-CA 3.47Å
172K97.5Very high98Very high88 Ų8833.5 Ų33.538%0.38317%0.171SC..Hα-helixtrans-69.7-37.9-178.9-174.7-173.2-174.4-168.80111.4D143 D144 C170 G174 E175 Y176D143-K172 HydrophobicContact CB-CB 3.96Å; D143-K172 HydrophobicContact CB-CD 4.39Å; D143-K172 HydrophobicContact CB-CG 4.4Å; D143-K172 WeakPolarHBondContact OD2-CB 3.48Å; D144-K172 VanDerWaalsContact OD1-CE 3.31Å; D144-K172 WeakPolarHBondContact OD1-CE 3.5Å; D144-K172 IonicContact OD1-NZ 3.49Å; D144-K172 PolarHBondContact OD1-NZ 3.19Å; D144-K172 IonicContact OD2-NZ 3.69Å; C170-K172 PolarHBondContact O-N 2.88Å; K172-G174 VanDerWaalsContact C-N 3.28Å; K172-G174 PolarHBondContact O-N 2.67Å; K172-E175 WeakPolarHBondContact O-CB 3.33Å; K172-E175 PolarHBondContact O-N 3.08Å; K172-Y176 HydrophobicContact CD-CE2 4.26Å; K172-Y176 HydrophobicContact CG-CD2 4.37Å; K172-Y176 HydrophobicContact CG-CE2 3.9Å; K172-Y176 WeakPolarHBondContact O-CD2 3.45Å; K172-Y176 PolarHBondContact O-N 3.2Å
173G97.9Very high97.9Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-59.5-40.9171.200000111.6D143 C170 E175 Y176 L177D143-G173 WeakPolarHBondContact OD1-CA 3.45Å; D143-G173 PolarHBondContact OD1-N 2.93Å; C170-G173 PolarHBondContact O-N 3.11Å; G173-E175 VanDerWaalsContact C-N 3.32Å; G173-E175 PolarHBondContact O-N 3.31Å; G173-Y176 PolarHBondContact O-N 3.12Å; G173-L177 WeakPolarHBondContact O-CB 3.34Å; G173-L177 VanDerWaalsContact O-CG 3.23Å; G173-L177 WeakPolarHBondContact O-CG 3.4Å; G173-L177 PolarHBondContact O-N 3.16Å
174G97.9Very high97.8Very high0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-61.6-34.5174.600000114.6C170 G171 K172 G178C170-G174 PolarHBondContact O-N 3.43Å; G171-G174 PolarHBondContact O-N 3.28Å; K172-G174 VanDerWaalsContact C-N 3.28Å; K172-G174 PolarHBondContact O-N 2.67Å; G174-G178 PolarHBondContact O-N 2.99Å
175E98.1Very high97.7Very high99 Ų9942.6 Ų42.646%0.46322%0.215SC..Hα-helixtrans-64.4-47.9172.9-67.8173.2-160.600111.5G171 K172 G173 G178 Q179 A204G171-E175 PolarHBondContact O-N 2.77Å; G171-E175 VanDerWaalsContact O-N 3.15Å; K172-E175 WeakPolarHBondContact O-CB 3.33Å; K172-E175 PolarHBondContact O-N 3.08Å; G173-E175 VanDerWaalsContact C-N 3.32Å; G173-E175 PolarHBondContact O-N 3.31Å; E175-G178 PolarHBondContact O-N 2.98Å; E175-Q179 PolarHBondContact O-N 3.43Å; E175-A204 HydrophobicContact CB-CB 4.24Å; E175-A204 HydrophobicContact CG-CB 3.7Å
176Y98.5Very high97.6Very high53 Ų5342.4 Ų42.421%0.20821%0.214CC..Hα-helixtrans-63.8-41.2176.4-71-54.6000112.7D143 A146 K147 T150 K172 G173 Q179 L180D143-Y176 WeakPolarHBondContact O-CD2 3.07Å; A146-Y176 HydrophobicContact CB-CD2 4.21Å; A146-Y176 HydrophobicContact CB-CG 4.37Å; K147-Y176 HydrophobicContact CB-CD1 4.16Å; K147-Y176 HydrophobicContact CB-CD2 4.29Å; K147-Y176 HydrophobicContact CB-CE1 4.08Å; K147-Y176 HydrophobicContact CB-CE2 4.18Å; K147-Y176 HydrophobicContact CB-CG 4.29Å; K147-Y176 HydrophobicContact CD-CE1 4.48Å; K147-Y176 HydrophobicContact CG-CD1 4.47Å; K147-Y176 HydrophobicContact CG-CE1 4.16Å; T150-Y176 PolarHBondContact OG1-O 3.23Å; K172-Y176 HydrophobicContact CD-CE2 4.26Å; K172-Y176 HydrophobicContact CG-CD2 4.37Å; K172-Y176 HydrophobicContact CG-CE2 3.9Å; K172-Y176 WeakPolarHBondContact O-CD2 3.45Å; K172-Y176 PolarHBondContact O-N 3.2Å; G173-Y176 PolarHBondContact O-N 3.12Å; Y176-Q179 WeakPolarHBondContact O-CB 3.23Å; Y176-Q179 PolarHBondContact O-N 2.87Å; Y176-L180 PolarHBondContact O-N 2.92Å
177L98.4Very high97.6Very high3 Ų338.1 Ų38.12%0.01619%0.194CC..Hα-helixtrans-69-33.7177.8-68.9169.6000112A146 L164 F169 G173 L180 L181 L192 L197 F205A146-L177 HydrophobicContact CB-CD2 4.5Å; A146-L177 HydrophobicContact CB-CG 4.26Å; L164-L177 HydrophobicContact CD1-CD2 4.08Å; F169-L177 HydrophobicContact CB-CD1 4.16Å; F169-L177 HydrophobicContact CD2-CD1 4.1Å; F169-L177 HydrophobicContact CG-CD1 4.01Å; G173-L177 WeakPolarHBondContact O-CB 3.34Å; G173-L177 VanDerWaalsContact O-CG 3.23Å; G173-L177 WeakPolarHBondContact O-CG 3.4Å; G173-L177 PolarHBondContact O-N 3.16Å; L177-L180 HydrophobicContact CD2-CD1 4.24Å; L177-L180 WeakPolarHBondContact O-CB 3.15Å; L177-L180 PolarHBondContact O-N 3.12Å; L177-L181 PolarHBondContact O-N 3.04Å; L177-L192 HydrophobicContact CD1-CD1 4.15Å; L177-L192 HydrophobicContact CD1-CD2 3.72Å; L177-L192 HydrophobicContact CD2-CD2 4.47Å; L177-L197 HydrophobicContact CD1-CD2 4.09Å; L177-F205 HydrophobicContact CB-CD2 3.86Å; L177-F205 HydrophobicContact CB-CE2 4.05Å
178G98.2Very high97.6Very high3 Ų340.2 Ų40.23%0.03120%0.204CC..Hα-helixtrans-62.8-43.5169.500000112G174 E175 L180 L181 A182 G208G174-G178 PolarHBondContact O-N 2.99Å; E175-G178 PolarHBondContact O-N 2.98Å; G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.19Å; G178-L181 PolarHBondContact O-N 3.34Å; G178-A182 PolarHBondContact O-N 3.08Å; G178-G208 WeakPolarHBondContact O-CA 3.12Å
179Q98.2Very high97.7Very high103 Ų10337 Ų3748%0.48120%0.195SC..Hα-helixtrans-63.8-37.5174-175.2179.111.400112.3T150 E175 Y176 A182 N183T150-Q179 HydrophobicContact CG2-CB 4.21Å; T150-Q179 HydrophobicContact CG2-CG 4.06Å; E175-Q179 PolarHBondContact O-N 3.43Å; Y176-Q179 WeakPolarHBondContact O-CB 3.23Å; Y176-Q179 PolarHBondContact O-N 2.87Å; Q179-A182 PolarHBondContact O-N 3.21Å; Q179-N183 WeakPolarHBondContact CG-ND2 3.39Å; Q179-N183 PolarHBondContact O-N 2.87Å; Q179-N183 PolarHBondContact O-ND2 2.88Å
180L97.8Very high97.7Very high5 Ų537.3 Ų37.33%0.02620%0.196CC..Hα-helixtrans-58.3-52.1173.3-178.4166.9000110F149 T150 L153 Y176 L177 G178 A182 N183 N184F149-L180 HydrophobicContact CB-CD1 4.26Å; T150-L180 HydrophobicContact CG2-CB 4.12Å; L153-L180 HydrophobicContact CB-CD1 4.39Å; L153-L180 HydrophobicContact CB-CG 4.27Å; L153-L180 HydrophobicContact CD1-CD1 3.77Å; L153-L180 HydrophobicContact CD1-CG 4.39Å; Y176-L180 PolarHBondContact O-N 2.92Å; L177-L180 HydrophobicContact CD2-CD1 4.24Å; L177-L180 WeakPolarHBondContact O-CB 3.15Å; L177-L180 PolarHBondContact O-N 3.12Å; G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.19Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.16Å; L180-N183 PolarHBondContact O-N 3.04Å; L180-N184 HydrophobicContact CD2-CB 4.14Å; L180-N184 WeakPolarHBondContact O-CB 3.34Å; L180-N184 PolarHBondContact O-N 3.17Å
181L97.1Very high97.8Very high2 Ų237 Ų371%0.0119%0.192CC..Hα-helixtrans-61.5-39.2178.7-78.4-171.7000112.9L177 G178 N183 L190 F205 L209 N212 L215L177-L181 PolarHBondContact O-N 3.04Å; G178-L181 PolarHBondContact O-N 3.34Å; L181-N183 PolarHBondContact O-N 2.94Å; L181-L190 HydrophobicContact CD1-CD2 4.4Å; L181-L190 HydrophobicContact CD2-CD2 3.81Å; L181-L190 HydrophobicContact CG-CD2 4.29Å; L181-F205 HydrophobicContact CD1-CD1 4.33Å; L181-F205 HydrophobicContact CD1-CD2 4.27Å; L181-F205 HydrophobicContact CD1-CE1 3.62Å; L181-F205 HydrophobicContact CD1-CE2 3.56Å; L181-F205 HydrophobicContact CD1-CZ 3.21Å; L181-F205 HydrophobicContact CG-CE2 4.14Å; L181-F205 HydrophobicContact CG-CZ 4.18Å; L181-L209 HydrophobicContact CD1-CB 4.25Å; L181-L209 HydrophobicContact CD1-CD1 4.42Å; L181-N212 PolarHBondContact O-ND2 2.97Å; L181-L215 HydrophobicContact CD1-CD2 4.32Å; L181-L215 HydrophobicContact CD2-CD2 4.05Å
182A97.8Very high97.9Very high40 Ų4036 Ų3633%0.33118%0.181SC..Hα-helixtrans-62.9-31.3-179.600000113.1G178 Q179 L180 V211G178-A182 PolarHBondContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 3.21Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.16Å; A182-V211 HydrophobicContact CB-CG2 3.85Å
183N96.7Very high98Very high87 Ų8732.2 Ų32.247%0.46517%0.166SC..Hα-helixtrans-108-17.1-172.2-62.6-40.6000114Q179 L180 L181Q179-N183 WeakPolarHBondContact CG-ND2 3.39Å; Q179-N183 PolarHBondContact O-N 2.87Å; Q179-N183 PolarHBondContact O-ND2 2.88Å; L180-N183 PolarHBondContact O-N 3.04Å; L181-N183 PolarHBondContact O-N 2.94Å
184N96.8Very high97.9Very high2 Ų237.8 Ų37.81%0.01119%0.187CC..  trans-89.4125.1-177.9-178.7-91000111.4L153 N156 L180 G186 V187 N212L153-N184 PolarHBondContact O-ND2 3.22Å; N156-N184 PolarHBondContact O-ND2 2.97Å; L180-N184 HydrophobicContact CD2-CB 4.14Å; L180-N184 WeakPolarHBondContact O-CB 3.34Å; L180-N184 PolarHBondContact O-N 3.17Å; N184-G186 WeakPolarHBondContact OD1-CA 3.44Å; N184-G186 PolarHBondContact OD1-N 3.19Å; N184-V187 WeakPolarHBondContact OD1-CB 3.45Å; N184-V187 WeakPolarHBondContact OD1-CG2 3.48Å; N184-V187 PolarHBondContact OD1-N 3.45Å; N184-N212 PolarHBondContact O-ND2 2.78Å; N184-N212 VanDerWaalsContact O-ND2 3.09Å
185E95.8Very high97.9Very high122 Ų12237.9 Ų37.957%0.5719%0.187SC*.SBendtrans-10717.3176.2-58.9-178.8171.500112.4F157 M214F157-E185 HydrophobicContact CD1-CB 4.26Å; E185-M214 HydrophobicContact CB-CG 4.14Å; E185-M214 WeakPolarHBondContact O-CG 3.16Å
186G96.9Very high97.8Very high0 Ų036.7 Ų36.70%018%0.181CC..SBendtrans-102.6-52-176.200000113.8F157 I159 K160 N184F157-G186 WeakPolarHBondContact O-CA 3.49Å; I159-G186 CarbonylContact O-C 3.45Å; K160-G186 WeakPolarHBondContact CD-O 3.41Å; K160-G186 PolarHBondContact NZ-O 3.27Å; N184-G186 WeakPolarHBondContact OD1-CA 3.44Å; N184-G186 PolarHBondContact OD1-N 3.19Å
187V98.6Very high97.8Very high1 Ų134.2 Ų34.21%0.00617%0.172CC..  trans-71.8126.3-166.4177.40000110.7I159 L162 N184 V189 L190 L215I159-V187 HydrophobicContact CG2-CG2 4.4Å; I159-V187 WeakPolarHBondContact O-CA 3.43Å; I159-V187 PolarHBondContact O-N 2.72Å; L162-V187 HydrophobicContact CB-CG1 4.36Å; N184-V187 WeakPolarHBondContact OD1-CB 3.45Å; N184-V187 WeakPolarHBondContact OD1-CG2 3.48Å; N184-V187 PolarHBondContact OD1-N 3.45Å; V187-V189 WeakPolarHBondContact CG1-O 3.42Å; V187-L190 HydrophobicContact CG1-CB 4.18Å; V187-L215 HydrophobicContact CG1-CD1 3.91Å
188E98.7Very high97.5Very high49 Ų4940.2 Ų40.223%0.22919%0.194CC..SBendtrans-110.9-26.7180-65.7-179.1-143.700111.7K160 K216 H217K160-E188 HydrophobicContact CD-CG 4.26Å; K160-E188 WeakPolarHBondContact CD-OE1 2.98Å; K160-E188 VanDerWaalsContact CE-OE1 3.31Å; K160-E188 WeakPolarHBondContact CE-OE1 3.34Å; K160-E188 IonicContact NZ-OE1 3.87Å; K160-E188 PolarHBondContact NZ-OE1 3.11Å; K160-E188 PolarHBondContact O-N 3.2Å; E188-K216 PolarHBondContact O-N 2.65Å; E188-K216 IonicContact OE2-NZ 2.8Å; E188-K216 PolarHBondContact OE2-NZ 2.78Å; E188-H217 PolarHBondContact O-N 2.96Å
189V98.8Very high97Very high53 Ų5346 Ų4632%0.32122%0.222SC..EExtended strand (participates in β ladder)trans-127.4123.4177.6-176.60000109K160 D161 L162 V187 H217K160-V189 PolarHBondContact O-N 3.33Å; D161-V189 WeakPolarHBondContact CA-O 3.24Å; D161-V189 HydrophobicContact CB-CB 4.3Å; L162-V189 PolarHBondContact N-O 2.9Å; V187-V189 WeakPolarHBondContact CG1-O 3.42Å; V189-H217 WeakPolarHBondContact CA-O 3.47Å; V189-H217 HydrophobicContact CB-CB 4.38Å; V189-H217 HydrophobicContact CG1-CB 4.1Å; V189-H217 HydrophobicContact CG2-CB 4.12Å
190L98.9Very high96.7Very high5 Ų548.6 Ų48.63%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-132.2120.8178.8179.357.7000110.9L162 L181 V187 L192 F205 L215 H217 L218 D219L162-L190 HydrophobicContact CB-CD1 4.17Å; L162-L190 HydrophobicContact CD2-CD1 4.01Å; L162-L190 HydrophobicContact CG-CD1 4.01Å; L162-L190 WeakPolarHBondContact O-CA 3.35Å; L162-L190 WeakPolarHBondContact O-CD1 3.41Å; L181-L190 HydrophobicContact CD1-CD2 4.4Å; L181-L190 HydrophobicContact CD2-CD2 3.81Å; L181-L190 HydrophobicContact CG-CD2 4.29Å; V187-L190 HydrophobicContact CG1-CB 4.18Å; L190-L192 HydrophobicContact CD1-CD1 4.31Å; L190-L192 HydrophobicContact CD1-CG 4.03Å; L190-L192 HydrophobicContact CD2-CD1 3.77Å; L190-L192 HydrophobicContact CD2-CG 4.35Å; L190-L192 HydrophobicContact CG-CD1 4.01Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L190-F205 HydrophobicContact CD2-CE2 4.26Å; L190-F205 HydrophobicContact CD2-CZ 3.96Å; L190-L215 HydrophobicContact CB-CD1 3.66Å; L190-L215 HydrophobicContact CB-CD2 4.45Å; L190-H217 PolarHBondContact N-O 3.31Å; L190-L218 HydrophobicContact CB-CD1 4.27Å; L190-L218 HydrophobicContact CD2-CD1 4.25Å; L190-L218 HydrophobicContact CG-CD1 4.25Å; L190-L218 WeakPolarHBondContact O-CA 3.17Å; L190-D219 PolarHBondContact O-N 2.82Å
191D98.8Very high96.7Very high41 Ų4148.3 Ų48.322%0.21923%0.23CC..EExtended strand (participates in β ladder)trans-106.8117.2169.9-166.5-19.7000110.2L162 D163 L164 S165 S193 D219L162-D191 PolarHBondContact O-N 3.33Å; D163-D191 HydrophobicContact CB-CB 4.24Å; L164-D191 CarbonylContact C-O 3.35Å; L164-D191 WeakPolarHBondContact CA-O 3.24Å; L164-D191 PolarHBondContact N-O 2.8Å; S165-D191 WeakPolarHBondContact CB-OD1 3.36Å; S165-D191 PolarHBondContact N-O 3.02Å; D191-S193 WeakPolarHBondContact OD1-CB 3.36Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.37Å; D191-D219 HydrophobicContact CB-CB 4.47Å
192L98.8Very high96.7Very high0 Ų048.2 Ų48.20%023%0.23CC..  trans-122.217.6174.3-78.4169.2000111.4L164 F169 L177 L190 N195 F205 D219 L220 N223L164-L192 HydrophobicContact CB-CD2 3.64Å; L164-L192 HydrophobicContact CD1-CD2 4.29Å; F169-L192 HydrophobicContact CD2-CD2 4.35Å; L177-L192 HydrophobicContact CD1-CD1 4.15Å; L177-L192 HydrophobicContact CD1-CD2 3.72Å; L177-L192 HydrophobicContact CD2-CD2 4.47Å; L190-L192 HydrophobicContact CD1-CD1 4.31Å; L190-L192 HydrophobicContact CD1-CG 4.03Å; L190-L192 HydrophobicContact CD2-CD1 3.77Å; L190-L192 HydrophobicContact CD2-CG 4.35Å; L190-L192 HydrophobicContact CG-CD1 4.01Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L192-N195 PolarHBondContact O-ND2 2.95Å; L192-F205 HydrophobicContact CD1-CD2 4.16Å; L192-F205 HydrophobicContact CD1-CE2 3.23Å; L192-F205 HydrophobicContact CD1-CZ 3.51Å; L192-D219 CarbonylContact C-O 3.43Å; L192-D219 WeakPolarHBondContact CA-O 3.37Å; L192-D219 PolarHBondContact N-O 3.35Å; L192-L220 HydrophobicContact CB-CD2 4.05Å; L192-L220 HydrophobicContact CD1-CD2 4.35Å; L192-N223 PolarHBondContact O-ND2 3.31Å
193S98.6Very high96.7Very high9 Ų949.4 Ų49.46%0.06323%0.232CC..  trans-59.2154.7-179.365.20000112S165 H166 D191 N195 D219 S221S165-S193 CarbonylContact C-O 3.34Å; S165-S193 WeakPolarHBondContact CA-O 3.48Å; S165-S193 VanDerWaalsContact CB-O 3.3Å; S165-S193 WeakPolarHBondContact CB-O 3.48Å; S165-S193 WeakPolarHBondContact CB-OG 3.26Å; H166-S193 PolarHBondContact N-O 3.16Å; D191-S193 WeakPolarHBondContact OD1-CB 3.36Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.37Å; S193-N195 VanDerWaalsContact C-N 3.33Å; S193-N195 PolarHBondContact O-N 3.32Å; S193-N195 PolarHBondContact O-ND2 3.27Å; S193-D219 WeakPolarHBondContact CB-OD1 3.45Å; S193-D219 PolarHBondContact N-O 2.9Å; S193-S221 CarbonylContact C-O 3.58Å; S193-S221 WeakPolarHBondContact CA-O 3.45Å; S193-S221 VanDerWaalsContact CB-OG 3.29Å; S193-S221 WeakPolarHBondContact CB-OG 3.36Å
194W96.7Very high96.8Very high117 Ų11746.6 Ų46.644%0.44322%0.221SC..SBendtrans56.443.5179.3-76.690000114.2H166 S221 W222H166-W194 WeakPolarHBondContact CA-O 3.45Å; H166-W194 HydrophobicContact CB-CB 4.36Å; H166-W194 AromaticContact CE1-CD1 3.26Å; H166-W194 AromaticContact CE1-CD2 3.63Å; H166-W194 AromaticContact CE1-CE2 3.93Å; H166-W194 AromaticContact CE1-CG 3.2Å; H166-W194 AromaticContact CE1-NE1 3.69Å; H166-W194 WeakPolarHBondContact ND1-CB 3.46Å; H166-W194 AromaticContact ND1-CD1 3.99Å; H166-W194 AromaticContact ND1-CD2 3.91Å; H166-W194 AromaticContact ND1-CG 3.49Å; H166-W194 AromaticContact NE2-CD1 3.48Å; H166-W194 AromaticContact NE2-CG 3.76Å; W194-S221 PolarHBondContact N-O 2.86Å; W194-W222 HydrophobicContact CB-CB 4.43Å; W194-W222 AromaticContact CD1-CD1 3.63Å; W194-W222 AromaticContact CD1-CG 3.84Å; W194-W222 HydrophobicContact CD2-CB 3.95Å; W194-W222 HydrophobicContact CD2-CD2 4.27Å; W194-W222 AromaticContact CD2-CG 3.95Å; W194-W222 HydrophobicContact CD2-CG 3.95Å; W194-W222 AromaticContact CE2-CD1 3.71Å; W194-W222 AromaticContact CE2-CD2 3.68Å; W194-W222 AromaticContact CE2-CE2 3.85Å; W194-W222 AromaticContact CE2-CG 3.58Å; W194-W222 AromaticContact CE2-NE1 3.85Å; W194-W222 HydrophobicContact CG-CB 3.86Å; W194-W222 HydrophobicContact CG-CG 4.11Å; W194-W222 HydrophobicContact CH2-CD2 4.18Å; W194-W222 HydrophobicContact CH2-CE3 4.04Å; W194-W222 HydrophobicContact CH2-CH2 4.44Å; W194-W222 HydrophobicContact CH2-CZ3 4.19Å; W194-W222 AromaticContact CZ2-CD2 3.63Å; W194-W222 HydrophobicContact CZ2-CD2 3.63Å; W194-W222 AromaticContact CZ2-CE2 3.6Å; W194-W222 AromaticContact CZ2-CE3 3.97Å; W194-W222 HydrophobicContact CZ2-CE3 3.97Å; W194-W222 HydrophobicContact CZ2-CG 4.07Å; W194-W222 HydrophobicContact CZ2-CH2 4.26Å; W194-W222 AromaticContact CZ2-CZ2 3.93Å; W194-W222 HydrophobicContact CZ2-CZ2 3.93Å; W194-W222 HydrophobicContact CZ2-CZ3 4.28Å; W194-W222 HydrophobicContact CZ3-CE3 4.46Å; W194-W222 AromaticContact NE1-CD1 3.19Å; W194-W222 AromaticContact NE1-CD2 3.99Å; W194-W222 AromaticContact NE1-CE2 3.97Å; W194-W222 AromaticContact NE1-CG 3.5Å; W194-W222 AromaticContact NE1-NE1 3.48Å
195N98.3Very high96.9Very high1 Ų146.5 Ų46.51%0.00522%0.221CC..  trans-113.1-163.3166.8-80.7-80.2000109.7L164 N167 K168 F169 L192 S193 N223L164-N195 PolarHBondContact O-ND2 3.4Å; L164-N195 VanDerWaalsContact O-ND2 3.1Å; N167-N195 WeakPolarHBondContact CA-OD1 3.46Å; N167-N195 WeakPolarHBondContact CB-OD1 3.21Å; N167-N195 PolarHBondContact N-OD1 3.24Å; N167-N195 PolarHBondContact O-OD1 3.09Å; K168-N195 PolarHBondContact N-OD1 2.91Å; F169-N195 HydrophobicContact CB-CB 4.36Å; F169-N195 WeakPolarHBondContact CD2-OD1 3.29Å; F169-N195 PolarHBondContact N-OD1 2.99Å; F169-N195 VanDerWaalsContact N-OD1 3.08Å; L192-N195 PolarHBondContact O-ND2 2.95Å; S193-N195 VanDerWaalsContact C-N 3.33Å; S193-N195 PolarHBondContact O-N 3.32Å; S193-N195 PolarHBondContact O-ND2 3.27Å; N195-N223 WeakPolarHBondContact CA-OD1 3.41Å; N195-N223 WeakPolarHBondContact CB-OD1 3.23Å
196H96.5Very high97Very high75 Ų7540.8 Ų40.835%0.34719%0.194SC..  trans-131.531.2-174.4-59.5-38.4000112.3F169 C170 R198 N223F169-H196 CarbonylContact O-C 3.31Å; F169-H196 VanDerWaalsContact O-CA 3.25Å; F169-H196 WeakPolarHBondContact O-CA 3.49Å; F169-H196 PolarHBondContact O-N 3.03Å; C170-H196 VanDerWaalsContact CA-O 3.32Å; C170-H196 WeakPolarHBondContact CA-O 3.19Å; C170-H196 HydrophobicContact CB-CB 4.39Å; H196-R198 VanDerWaalsContact C-N 3.33Å; H196-R198 WeakPolarHBondContact O-CB 3.42Å; H196-R198 VanDerWaalsContact O-CG 3.31Å; H196-R198 WeakPolarHBondContact O-CG 3.32Å; H196-R198 PolarHBondContact O-N 2.91Å; H196-R198 VanDerWaalsContact O-N 3.17Å; H196-N223 PolarHBondContact N-OD1 2.93Å
197L96.8Very high97.1Very high0 Ų043.6 Ų43.60%022%0.217CC..  trans-48.2-51.2-168.8-67.3-178.6000113.1F169 C170 G171 L177 G201 F205 L220 N223 F225F169-L197 HydrophobicContact CB-CD2 4.05Å; F169-L197 PolarHBondContact O-N 2.85Å; C170-L197 CarbonylContact C-O 3.53Å; G171-L197 WeakPolarHBondContact CA-O 3.16Å; G171-L197 PolarHBondContact N-O 3.31Å; L177-L197 HydrophobicContact CD1-CD2 4.09Å; L197-G201 WeakPolarHBondContact O-CA 3.36Å; L197-F205 HydrophobicContact CD1-CD2 4.48Å; L197-F205 HydrophobicContact CD1-CG 4.45Å; L197-L220 HydrophobicContact CD1-CD2 3.83Å; L197-N223 HydrophobicContact CB-CB 4.39Å; L197-N223 VanDerWaalsContact CG-OD1 3.32Å; L197-N223 WeakPolarHBondContact CG-OD1 3.48Å; L197-N223 PolarHBondContact N-OD1 2.93Å; L197-F225 HydrophobicContact CB-CE2 4.4Å; L197-F225 HydrophobicContact CD1-CE2 4.2Å; L197-F225 HydrophobicContact CD1-CZ 4.47Å
198R92.4Very high97.1Very high129 Ų12943.7 Ų43.749%0.48722%0.219SC..THydrogen-bonded Turntrans43.4143168.8-61.3176.5-174.6-179.43.6117.3H196 K200 G201 N223H196-R198 VanDerWaalsContact C-N 3.33Å; H196-R198 WeakPolarHBondContact O-CB 3.42Å; H196-R198 VanDerWaalsContact O-CG 3.31Å; H196-R198 WeakPolarHBondContact O-CG 3.32Å; H196-R198 PolarHBondContact O-N 2.91Å; H196-R198 VanDerWaalsContact O-N 3.17Å; R198-K200 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.37Å; R198-N223 WeakPolarHBondContact CG-O 3.44Å; R198-N223 PolarHBondContact N-O 3.16Å
199M87.8Confident97.1Very high124 Ų12441.3 Ų41.361%0.61121%0.208SC*.THydrogen-bonded Turntrans49-117.6169-55.8177.6-69.300112.1G201 A202 V203M199-G201 VanDerWaalsContact C-N 3.32Å; M199-G201 PolarHBondContact O-N 3.39Å; M199-A202 WeakPolarHBondContact O-CB 3.26Å; M199-A202 PolarHBondContact O-N 3.33Å; M199-A202 VanDerWaalsContact O-N 3.12Å; M199-V203 WeakPolarHBondContact O-CG2 3.17Å; M199-V203 PolarHBondContact O-N 3.49Å
200K92.8Very high97.1Very high158 Ų15842.6 Ų42.669%0.68721%0.209SC*.Hα-helixtrans-56-38.4179.9-64.6-174.1178.6-1770114.1R198 V203 A204R198-K200 PolarHBondContact O-N 3.07Å; K200-V203 PolarHBondContact O-N 2.99Å; K200-A204 WeakPolarHBondContact O-CB 3.26Å; K200-A204 PolarHBondContact O-N 3.26Å
201G97Very high97Very high0 Ų046.5 Ų46.50%023%0.233CC..Hα-helixtrans-66.6-39.7178.700000111.8G171 L197 R198 M199 F205G171-G201 VanDerWaalsContact O-CA 3.31Å; G171-G201 WeakPolarHBondContact O-CA 3.47Å; L197-G201 WeakPolarHBondContact O-CA 3.36Å; R198-G201 PolarHBondContact O-N 3.37Å; M199-G201 VanDerWaalsContact C-N 3.32Å; M199-G201 PolarHBondContact O-N 3.39Å; G201-F205 WeakPolarHBondContact O-CB 3.4Å; G201-F205 PolarHBondContact O-N 3.01Å
202A97.7Very high97Very high0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-64.7-41.4174.400000112.2M199 S206 F225M199-A202 WeakPolarHBondContact O-CB 3.26Å; M199-A202 PolarHBondContact O-N 3.33Å; M199-A202 VanDerWaalsContact O-N 3.12Å; A202-S206 WeakPolarHBondContact O-CB 3.13Å; A202-S206 PolarHBondContact O-N 3.06Å; A202-S206 PolarHBondContact O-OG 3.4Å; A202-F225 HydrophobicContact CB-CD1 3.68Å; A202-F225 HydrophobicContact CB-CD2 4.02Å; A202-F225 HydrophobicContact CB-CE1 3.68Å; A202-F225 HydrophobicContact CB-CE2 4.03Å; A202-F225 HydrophobicContact CB-CG 3.82Å; A202-F225 HydrophobicContact CB-CZ 3.84Å
203V98.2Very high96.9Very high64 Ų6448 Ų4839%0.38824%0.244SC..Hα-helixtrans-63.5-49176.3176.40000111.4M199 K200 S206 A207 A232M199-V203 WeakPolarHBondContact O-CG2 3.17Å; M199-V203 PolarHBondContact O-N 3.49Å; K200-V203 PolarHBondContact O-N 2.99Å; V203-S206 PolarHBondContact O-N 2.83Å; V203-A207 PolarHBondContact O-N 3.21Å; V203-A232 HydrophobicContact CB-CB 4.23Å; V203-A232 HydrophobicContact CG1-CB 4.25Å; V203-A232 HydrophobicContact CG2-CB 4.02Å
204A98.3Very high96.9Very high28 Ų2850.8 Ų50.823%0.23126%0.256CS..Hα-helixtrans-64.8-41.7-179.900000112E175 K200 S206 A207 G208E175-A204 HydrophobicContact CB-CB 4.24Å; E175-A204 HydrophobicContact CG-CB 3.7Å; K200-A204 WeakPolarHBondContact O-CB 3.26Å; K200-A204 PolarHBondContact O-N 3.26Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.97Å; A204-A207 WeakPolarHBondContact O-CB 3.29Å; A204-A207 PolarHBondContact O-N 3.1Å; A204-G208 PolarHBondContact O-N 3.32Å; A204-G208 VanDerWaalsContact O-N 3.13Å
205F98.6Very high97Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-59.5-45.7174.4-172.4-89.1000111.8L177 L181 L190 L192 L197 G201 A207 G208 L209 L218 L220L177-F205 HydrophobicContact CB-CD2 3.86Å; L177-F205 HydrophobicContact CB-CE2 4.05Å; L181-F205 HydrophobicContact CD1-CD1 4.33Å; L181-F205 HydrophobicContact CD1-CD2 4.27Å; L181-F205 HydrophobicContact CD1-CE1 3.62Å; L181-F205 HydrophobicContact CD1-CE2 3.56Å; L181-F205 HydrophobicContact CD1-CZ 3.21Å; L181-F205 HydrophobicContact CG-CE2 4.14Å; L181-F205 HydrophobicContact CG-CZ 4.18Å; L190-F205 HydrophobicContact CD2-CE2 4.26Å; L190-F205 HydrophobicContact CD2-CZ 3.96Å; L192-F205 HydrophobicContact CD1-CD2 4.16Å; L192-F205 HydrophobicContact CD1-CE2 3.23Å; L192-F205 HydrophobicContact CD1-CZ 3.51Å; L197-F205 HydrophobicContact CD1-CD2 4.48Å; L197-F205 HydrophobicContact CD1-CG 4.45Å; G201-F205 WeakPolarHBondContact O-CB 3.4Å; G201-F205 PolarHBondContact O-N 3.01Å; F205-A207 VanDerWaalsContact C-N 3.31Å; F205-A207 PolarHBondContact O-N 2.81Å; F205-G208 PolarHBondContact O-N 3.48Å; F205-G208 VanDerWaalsContact O-N 3.14Å; F205-L209 PolarHBondContact O-N 3.13Å; F205-L218 HydrophobicContact CE1-CD1 4.07Å; F205-L218 HydrophobicContact CE1-CD2 3.92Å; F205-L218 HydrophobicContact CZ-CD1 3.93Å; F205-L220 HydrophobicContact CD1-CD1 4.18Å; F205-L220 HydrophobicContact CD1-CD2 4.19Å; F205-L220 HydrophobicContact CE1-CD1 3.86Å; F205-L220 HydrophobicContact CE1-CD2 3.8Å; F205-L220 HydrophobicContact CE1-CG 4.28Å; F205-L220 HydrophobicContact CZ-CD2 4.09Å
206S98.6Very high97Very high2 Ų249.4 Ų49.41%0.01425%0.253CS..Hα-helixtrans-64.7-35.6178.5-54.60000112A202 V203 A204 G208 L209 K210 A232 A236A202-S206 WeakPolarHBondContact O-CB 3.13Å; A202-S206 PolarHBondContact O-N 3.06Å; A202-S206 PolarHBondContact O-OG 3.4Å; V203-S206 PolarHBondContact O-N 2.83Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.97Å; S206-G208 VanDerWaalsContact C-N 3.31Å; S206-G208 PolarHBondContact O-N 2.84Å; S206-L209 PolarHBondContact O-N 3.19Å; S206-K210 PolarHBondContact O-N 2.74Å; S206-A232 WeakPolarHBondContact CB-O 3.5Å; S206-A236 VanDerWaalsContact O-CB 3.22Å; S206-A236 WeakPolarHBondContact O-CB 3.36Å
207A98.6Very high97.1Very high59 Ų5949.6 Ų49.649%0.48825%0.254SS..Hα-helixtrans-63.3-35.6173.700000112.5V203 A204 F205 K210V203-A207 PolarHBondContact O-N 3.21Å; A204-A207 WeakPolarHBondContact O-CB 3.29Å; A204-A207 PolarHBondContact O-N 3.1Å; F205-A207 VanDerWaalsContact C-N 3.31Å; F205-A207 PolarHBondContact O-N 2.81Å; A207-K210 WeakPolarHBondContact O-CB 3.37Å
208G98.4Very high97.2Very high3 Ų349.7 Ų49.73%0.03126%0.255CS..Hα-helixtrans-67.4-45.9171.600000112.7G178 A204 F205 S206 K210 V211 N212G178-G208 WeakPolarHBondContact O-CA 3.12Å; A204-G208 PolarHBondContact O-N 3.32Å; A204-G208 VanDerWaalsContact O-N 3.13Å; F205-G208 PolarHBondContact O-N 3.48Å; F205-G208 VanDerWaalsContact O-N 3.14Å; S206-G208 VanDerWaalsContact C-N 3.31Å; S206-G208 PolarHBondContact O-N 2.84Å; G208-K210 VanDerWaalsContact C-N 3.25Å; G208-K210 PolarHBondContact O-N 3.37Å; G208-V211 WeakPolarHBondContact O-CG2 3.3Å; G208-V211 PolarHBondContact O-N 3.16Å; G208-N212 PolarHBondContact O-N 3.27Å; G208-N212 VanDerWaalsContact O-N 3.15Å
209L98.6Very high97.5Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-59.7-35.7177.2-178.365.7000112.8L181 F205 S206 V211 N212 L215 L218 M233 A236 N240 L243L181-L209 HydrophobicContact CD1-CB 4.25Å; L181-L209 HydrophobicContact CD1-CD1 4.42Å; F205-L209 PolarHBondContact O-N 3.13Å; S206-L209 PolarHBondContact O-N 3.19Å; L209-V211 PolarHBondContact O-N 2.85Å; L209-N212 PolarHBondContact O-N 3.09Å; L209-L215 HydrophobicContact CD1-CD2 3.8Å; L209-L218 HydrophobicContact CD1-CD2 4.17Å; L209-L218 HydrophobicContact CD2-CD2 3.75Å; L209-M233 HydrophobicContact CD2-CE 3.92Å; L209-M233 HydrophobicContact CD2-SD 3.49Å; L209-M233 WeakPolarHBondContact CD2-SD 3.35Å; L209-A236 HydrophobicContact CB-CB 4.48Å; L209-A236 HydrophobicContact CD2-CB 4.44Å; L209-N240 PolarHBondContact O-ND2 2.82Å; L209-L243 HydrophobicContact CD2-CD2 4.25Å
210K98.4Very high98Very high80 Ų8039.3 Ų39.335%0.34821%0.211SC..Hα-helixtrans-53.5-37178.1-179.6177.6168.2161.70113S206 A207 G208 A236 F239S206-K210 PolarHBondContact O-N 2.74Å; A207-K210 WeakPolarHBondContact O-CB 3.37Å; G208-K210 VanDerWaalsContact C-N 3.25Å; G208-K210 PolarHBondContact O-N 3.37Å; K210-A236 HydrophobicContact CB-CB 4.06Å; K210-F239 HydrophobicContact CD-CD2 4.04Å; K210-F239 HydrophobicContact CG-CB 4.01Å; K210-F239 HydrophobicContact CG-CD2 4.07Å; K210-F239 HydrophobicContact CG-CG 4.34Å
211V98.2Very high98.3Very high87 Ų8732.3 Ų32.353%0.52718%0.182SC..Hα-helixtrans-103.6-8.2-177.6-60.20000113.2A182 G208 L209A182-V211 HydrophobicContact CB-CG2 3.85Å; G208-V211 WeakPolarHBondContact O-CG2 3.3Å; G208-V211 PolarHBondContact O-N 3.16Å; L209-V211 PolarHBondContact O-N 2.85Å
212N98.3Very high98.3Very high4 Ų437.4 Ų37.42%0.02120%0.201CC..  trans-69.2138176.8-176.1-86.3000111L181 N184 G208 L209 M214 L215 N240L181-N212 PolarHBondContact O-ND2 2.97Å; N184-N212 PolarHBondContact O-ND2 2.78Å; N184-N212 VanDerWaalsContact O-ND2 3.09Å; G208-N212 PolarHBondContact O-N 3.27Å; G208-N212 VanDerWaalsContact O-N 3.15Å; L209-N212 PolarHBondContact O-N 3.09Å; N212-M214 PolarHBondContact OD1-N 3.25Å; N212-L215 VanDerWaalsContact OD1-CB 3.25Å; N212-L215 WeakPolarHBondContact OD1-CB 3.48Å; N212-L215 PolarHBondContact OD1-N 3.17Å; N212-N240 PolarHBondContact O-ND2 3.37Å
213T96.8Very high98.3Very high69 Ų6937.4 Ų37.442%0.42320%0.202SC..SBendtrans-118.511.8-173.554.70000113.6T242T213-T242 VanDerWaalsContact C-CG2 3.45Å; T213-T242 WeakPolarHBondContact O-CG2 3.31Å
214M97.9Very high98.2Very high67 Ų6735.6 Ų35.633%0.3320%0.195SC..SBendtrans-130-31-171.4-63.5-64.3148.600114E185 N212 K216E185-M214 HydrophobicContact CB-CG 4.14Å; E185-M214 WeakPolarHBondContact O-CG 3.16Å; N212-M214 PolarHBondContact OD1-N 3.25Å; M214-K216 PolarHBondContact O-N 3.07Å
215L98.6Very high98Very high0 Ų034.4 Ų34.40%019%0.185CC..  trans-68.9125.1-173.8-16772.5000110.8L181 V187 L190 L209 N212 L218 T242 L243L181-L215 HydrophobicContact CD1-CD2 4.32Å; L181-L215 HydrophobicContact CD2-CD2 4.05Å; V187-L215 HydrophobicContact CG1-CD1 3.91Å; L190-L215 HydrophobicContact CB-CD1 3.66Å; L190-L215 HydrophobicContact CB-CD2 4.45Å; L209-L215 HydrophobicContact CD1-CD2 3.8Å; N212-L215 VanDerWaalsContact OD1-CB 3.25Å; N212-L215 WeakPolarHBondContact OD1-CB 3.48Å; N212-L215 PolarHBondContact OD1-N 3.17Å; L215-L218 HydrophobicContact CD2-CB 3.93Å; L215-L218 HydrophobicContact CD2-CD1 4.13Å; L215-L218 HydrophobicContact CD2-CD2 4.03Å; L215-L218 HydrophobicContact CD2-CG 4.25Å; L215-T242 CarbonylContact O-C 3.42Å; L215-T242 VanDerWaalsContact O-C 3.31Å; L215-T242 PolarHBondContact O-OG1 3.26Å; L215-L243 HydrophobicContact CD2-CD1 4.27Å; L215-L243 HydrophobicContact CG-CD1 4.23Å; L215-L243 WeakPolarHBondContact O-CA 3.32Å; L215-L243 PolarHBondContact O-N 2.87Å
216K98.8Very high97.9Very high88 Ų8835.2 Ų35.238%0.38319%0.194SC..  trans-108.5-38.4-178.4-66172.9-173.61620112.2E188 M214 L243 V244 H245E188-K216 PolarHBondContact O-N 2.65Å; E188-K216 IonicContact OE2-NZ 2.8Å; E188-K216 PolarHBondContact OE2-NZ 2.78Å; M214-K216 PolarHBondContact O-N 3.07Å; K216-L243 WeakPolarHBondContact O-CD1 3.48Å; K216-V244 PolarHBondContact O-N 2.88Å; K216-H245 PolarHBondContact O-N 3.05Å
217H98.8Very high97.9Very high80 Ų8036.8 Ų36.837%0.3720%0.202SC..EExtended strand (participates in β ladder)trans-124125.2-177.4-61.6-94.6000110.2E188 V189 L190 H245E188-H217 PolarHBondContact O-N 2.96Å; V189-H217 WeakPolarHBondContact CA-O 3.47Å; V189-H217 HydrophobicContact CB-CB 4.38Å; V189-H217 HydrophobicContact CG1-CB 4.1Å; V189-H217 HydrophobicContact CG2-CB 4.12Å; L190-H217 PolarHBondContact N-O 3.31Å; H217-H245 HydrophobicContact CB-CB 4.45Å; H217-H245 VanDerWaalsContact ND1-CB 3.32Å; H217-H245 WeakPolarHBondContact ND1-CB 3.43Å; H217-H245 AromaticContact ND1-CG 3.88Å
218L98.9Very high97.8Very high2 Ų240 Ų401%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-134.9121.2-177.8176.656.3000110.4L190 F205 L209 L215 L220 L243 H245 L246 N247L190-L218 HydrophobicContact CB-CD1 4.27Å; L190-L218 HydrophobicContact CD2-CD1 4.25Å; L190-L218 HydrophobicContact CG-CD1 4.25Å; L190-L218 WeakPolarHBondContact O-CA 3.17Å; F205-L218 HydrophobicContact CE1-CD1 4.07Å; F205-L218 HydrophobicContact CE1-CD2 3.92Å; F205-L218 HydrophobicContact CZ-CD1 3.93Å; L209-L218 HydrophobicContact CD1-CD2 4.17Å; L209-L218 HydrophobicContact CD2-CD2 3.75Å; L215-L218 HydrophobicContact CD2-CB 3.93Å; L215-L218 HydrophobicContact CD2-CD1 4.13Å; L215-L218 HydrophobicContact CD2-CD2 4.03Å; L215-L218 HydrophobicContact CD2-CG 4.25Å; L218-L220 HydrophobicContact CD1-CD1 4.22Å; L218-L220 HydrophobicContact CD1-CD2 4.21Å; L218-L220 HydrophobicContact CD1-CG 3.81Å; L218-L220 HydrophobicContact CD2-CD1 3.69Å; L218-L220 HydrophobicContact CD2-CG 4.21Å; L218-L220 HydrophobicContact CG-CD1 3.91Å; L218-L220 HydrophobicContact CG-CG 3.87Å; L218-L243 HydrophobicContact CB-CD1 3.65Å; L218-L243 HydrophobicContact CD2-CD2 4.44Å; L218-H245 PolarHBondContact N-O 2.75Å; L218-L246 HydrophobicContact CB-CD1 4.32Å; L218-L246 HydrophobicContact CD2-CD1 3.98Å; L218-L246 HydrophobicContact CG-CD1 4.08Å; L218-L246 WeakPolarHBondContact O-CA 3.28Å; L218-N247 PolarHBondContact O-N 2.89Å
219D98.8Very high97.7Very high35 Ų3539.8 Ų39.819%0.18721%0.205CC..EExtended strand (participates in β ladder)trans-106.8116.4168.4-158.2-37.4000111.1L190 D191 L192 S193 S221 N247L190-D219 PolarHBondContact O-N 2.82Å; D191-D219 HydrophobicContact CB-CB 4.47Å; L192-D219 CarbonylContact C-O 3.43Å; L192-D219 WeakPolarHBondContact CA-O 3.37Å; L192-D219 PolarHBondContact N-O 3.35Å; S193-D219 WeakPolarHBondContact CB-OD1 3.45Å; S193-D219 PolarHBondContact N-O 2.9Å; D219-S221 WeakPolarHBondContact OD1-CB 3.39Å; D219-S221 PolarHBondContact OD1-N 3.04Å; D219-S221 PolarHBondContact OD1-OG 3.49Å; D219-N247 HydrophobicContact CB-CB 4.31Å; D219-N247 PolarHBondContact OD1-ND2 3.5Å; D219-N247 PolarHBondContact OD2-ND2 3.2Å
220L98.8Very high97.7Very high0 Ų039.8 Ų39.80%021%0.205CC..  trans-120.717.2176.4-72.2167.9000111.3L192 L197 F205 L218 N223 F225 M233 L246 N247 L248 N251L192-L220 HydrophobicContact CB-CD2 4.05Å; L192-L220 HydrophobicContact CD1-CD2 4.35Å; L197-L220 HydrophobicContact CD1-CD2 3.83Å; F205-L220 HydrophobicContact CD1-CD1 4.18Å; F205-L220 HydrophobicContact CD1-CD2 4.19Å; F205-L220 HydrophobicContact CE1-CD1 3.86Å; F205-L220 HydrophobicContact CE1-CD2 3.8Å; F205-L220 HydrophobicContact CE1-CG 4.28Å; F205-L220 HydrophobicContact CZ-CD2 4.09Å; L218-L220 HydrophobicContact CD1-CD1 4.22Å; L218-L220 HydrophobicContact CD1-CD2 4.21Å; L218-L220 HydrophobicContact CD1-CG 3.81Å; L218-L220 HydrophobicContact CD2-CD1 3.69Å; L218-L220 HydrophobicContact CD2-CG 4.21Å; L218-L220 HydrophobicContact CG-CD1 3.91Å; L218-L220 HydrophobicContact CG-CG 3.87Å; L220-N223 WeakPolarHBondContact O-CB 3.17Å; L220-N223 PolarHBondContact O-ND2 2.96Å; L220-N223 VanDerWaalsContact O-ND2 3.07Å; L220-F225 HydrophobicContact CB-CE2 4.15Å; L220-F225 HydrophobicContact CB-CZ 4.26Å; L220-F225 HydrophobicContact CD1-CE1 4.08Å; L220-F225 HydrophobicContact CD1-CE2 4.29Å; L220-F225 HydrophobicContact CD1-CZ 3.58Å; L220-F225 HydrophobicContact CD2-CE2 4.1Å; L220-F225 HydrophobicContact CD2-CZ 3.95Å; L220-F225 HydrophobicContact CG-CE2 4.43Å; L220-F225 HydrophobicContact CG-CZ 4.15Å; L220-M233 HydrophobicContact CD1-CE 3.44Å; L220-M233 VanDerWaalsContact CD1-CE 3.44Å; L220-L246 HydrophobicContact CD1-CD1 4.29Å; L220-N247 CarbonylContact C-O 3.43Å; L220-N247 WeakPolarHBondContact CA-O 3.48Å; L220-N247 PolarHBondContact N-O 2.88Å; L220-L248 HydrophobicContact CB-CD2 4.06Å; L220-L248 HydrophobicContact CD1-CD2 4.22Å; L220-N251 PolarHBondContact O-ND2 2.97Å
221S98.3Very high97.7Very high10 Ų1039.2 Ų39.27%0.0721%0.205CC..THydrogen-bonded Turntrans-59.8150.5-179.461.80000111.7S193 W194 D219 N223 N247 S249S193-S221 CarbonylContact C-O 3.58Å; S193-S221 WeakPolarHBondContact CA-O 3.45Å; S193-S221 VanDerWaalsContact CB-OG 3.29Å; S193-S221 WeakPolarHBondContact CB-OG 3.36Å; W194-S221 PolarHBondContact N-O 2.86Å; D219-S221 WeakPolarHBondContact OD1-CB 3.39Å; D219-S221 PolarHBondContact OD1-N 3.04Å; D219-S221 PolarHBondContact OD1-OG 3.49Å; S221-N223 PolarHBondContact O-N 2.98Å; S221-N223 PolarHBondContact O-ND2 3.35Å; S221-N223 VanDerWaalsContact O-ND2 3.16Å; S221-N247 PolarHBondContact N-O 3.48Å; S221-S249 CarbonylContact C-O 3.58Å; S221-S249 WeakPolarHBondContact CA-O 3.28Å; S221-S249 VanDerWaalsContact CB-O 3.22Å; S221-S249 WeakPolarHBondContact CB-O 3.44Å
222W97.4Very high97.7Very high107 Ų10735.8 Ų35.841%0.40519%0.186SC..THydrogen-bonded Turntrans60.636.6178.5-61.292.9000115.4W194 S249 N250W194-W222 HydrophobicContact CB-CB 4.43Å; W194-W222 AromaticContact CD1-CD1 3.63Å; W194-W222 AromaticContact CD1-CG 3.84Å; W194-W222 HydrophobicContact CD2-CB 3.95Å; W194-W222 HydrophobicContact CD2-CD2 4.27Å; W194-W222 AromaticContact CD2-CG 3.95Å; W194-W222 HydrophobicContact CD2-CG 3.95Å; W194-W222 AromaticContact CE2-CD1 3.71Å; W194-W222 AromaticContact CE2-CD2 3.68Å; W194-W222 AromaticContact CE2-CE2 3.85Å; W194-W222 AromaticContact CE2-CG 3.58Å; W194-W222 AromaticContact CE2-NE1 3.85Å; W194-W222 HydrophobicContact CG-CB 3.86Å; W194-W222 HydrophobicContact CG-CG 4.11Å; W194-W222 HydrophobicContact CH2-CD2 4.18Å; W194-W222 HydrophobicContact CH2-CE3 4.04Å; W194-W222 HydrophobicContact CH2-CH2 4.44Å; W194-W222 HydrophobicContact CH2-CZ3 4.19Å; W194-W222 AromaticContact CZ2-CD2 3.63Å; W194-W222 HydrophobicContact CZ2-CD2 3.63Å; W194-W222 AromaticContact CZ2-CE2 3.6Å; W194-W222 AromaticContact CZ2-CE3 3.97Å; W194-W222 HydrophobicContact CZ2-CE3 3.97Å; W194-W222 HydrophobicContact CZ2-CG 4.07Å; W194-W222 HydrophobicContact CZ2-CH2 4.26Å; W194-W222 AromaticContact CZ2-CZ2 3.93Å; W194-W222 HydrophobicContact CZ2-CZ2 3.93Å; W194-W222 HydrophobicContact CZ2-CZ3 4.28Å; W194-W222 HydrophobicContact CZ3-CE3 4.46Å; W194-W222 AromaticContact NE1-CD1 3.19Å; W194-W222 AromaticContact NE1-CD2 3.99Å; W194-W222 AromaticContact NE1-CE2 3.97Å; W194-W222 AromaticContact NE1-CG 3.5Å; W194-W222 AromaticContact NE1-NE1 3.48Å; W222-S249 PolarHBondContact N-O 2.92Å; W222-N250 VanDerWaalsContact CA-O 3.31Å; W222-N250 WeakPolarHBondContact CA-O 3.16Å; W222-N250 HydrophobicContact CD2-CB 3.4Å; W222-N250 VanDerWaalsContact CE2-CB 3.47Å; W222-N250 VanDerWaalsContact CE2-ND2 3.32Å; W222-N250 HydrophobicContact CE3-CB 3.76Å; W222-N250 HydrophobicContact CG-CB 3.76Å; W222-N250 HydrophobicContact CH2-CB 4.2Å; W222-N250 VanDerWaalsContact CH2-OD1 3.27Å; W222-N250 WeakPolarHBondContact CH2-OD1 3.22Å; W222-N250 HydrophobicContact CZ2-CB 3.91Å; W222-N250 WeakPolarHBondContact CZ2-ND2 3.18Å; W222-N250 WeakPolarHBondContact CZ2-OD1 3.33Å; W222-N250 HydrophobicContact CZ3-CB 4.13Å; W222-N250 PolarHBondContact N-O 2.97Å; W222-N250 PolarHBondContact NE1-ND2 2.91Å
223N97.6Very high97.8Very high1 Ų135.6 Ų35.61%0.00519%0.185CC..SBendtrans-109.8-4.7178.4-86.7-77.7000115L192 N195 H196 L197 R198 L220 S221 F225 N251L192-N223 PolarHBondContact O-ND2 3.31Å; N195-N223 WeakPolarHBondContact CA-OD1 3.41Å; N195-N223 WeakPolarHBondContact CB-OD1 3.23Å; H196-N223 PolarHBondContact N-OD1 2.93Å; L197-N223 HydrophobicContact CB-CB 4.39Å; L197-N223 VanDerWaalsContact CG-OD1 3.32Å; L197-N223 WeakPolarHBondContact CG-OD1 3.48Å; L197-N223 PolarHBondContact N-OD1 2.93Å; R198-N223 WeakPolarHBondContact CG-O 3.44Å; R198-N223 PolarHBondContact N-O 3.16Å; L220-N223 WeakPolarHBondContact O-CB 3.17Å; L220-N223 PolarHBondContact O-ND2 2.96Å; L220-N223 VanDerWaalsContact O-ND2 3.07Å; S221-N223 PolarHBondContact O-N 2.98Å; S221-N223 PolarHBondContact O-ND2 3.35Å; S221-N223 VanDerWaalsContact O-ND2 3.16Å; N223-F225 HydrophobicContact CB-CD2 3.63Å; N223-F225 HydrophobicContact CB-CE2 3.65Å; N223-N251 WeakPolarHBondContact CA-OD1 3.36Å; N223-N251 WeakPolarHBondContact CB-OD1 3.45Å; N223-N251 PolarHBondContact N-OD1 2.88Å; N223-N251 VanDerWaalsContact N-OD1 3.13Å
224G94.9Very high97.8Very high25 Ų2532.4 Ų32.426%0.25817%0.166SC..  trans61.444.4-178.700000113.5G226 N251G224-G226 VanDerWaalsContact C-N 3.29Å; G224-G226 PolarHBondContact O-N 3.39Å; G224-N251 CarbonylContact C-O 3.23Å; G224-N251 PolarHBondContact N-OD1 3.42Å
225F95.3Very high97.9Very high3 Ų333.3 Ų33.31%0.01317%0.17CC..  trans-56.5-39179.9-91.9-126.9000113.5L197 A202 L220 N223 G229 M233 L248 N251L197-F225 HydrophobicContact CB-CE2 4.4Å; L197-F225 HydrophobicContact CD1-CE2 4.2Å; L197-F225 HydrophobicContact CD1-CZ 4.47Å; A202-F225 HydrophobicContact CB-CD1 3.68Å; A202-F225 HydrophobicContact CB-CD2 4.02Å; A202-F225 HydrophobicContact CB-CE1 3.68Å; A202-F225 HydrophobicContact CB-CE2 4.03Å; A202-F225 HydrophobicContact CB-CG 3.82Å; A202-F225 HydrophobicContact CB-CZ 3.84Å; L220-F225 HydrophobicContact CB-CE2 4.15Å; L220-F225 HydrophobicContact CB-CZ 4.26Å; L220-F225 HydrophobicContact CD1-CE1 4.08Å; L220-F225 HydrophobicContact CD1-CE2 4.29Å; L220-F225 HydrophobicContact CD1-CZ 3.58Å; L220-F225 HydrophobicContact CD2-CE2 4.1Å; L220-F225 HydrophobicContact CD2-CZ 3.95Å; L220-F225 HydrophobicContact CG-CE2 4.43Å; L220-F225 HydrophobicContact CG-CZ 4.15Å; N223-F225 HydrophobicContact CB-CD2 3.63Å; N223-F225 HydrophobicContact CB-CE2 3.65Å; F225-G229 WeakPolarHBondContact O-CA 3.49Å; F225-G229 PolarHBondContact O-N 3.41Å; F225-G229 VanDerWaalsContact O-N 3.12Å; F225-M233 HydrophobicContact CE1-CE 3.89Å; F225-M233 HydrophobicContact CZ-CE 4.49Å; F225-L248 HydrophobicContact CD1-CD2 4.24Å; F225-L248 HydrophobicContact CE1-CD2 4.39Å; F225-N251 HydrophobicContact CB-CB 4.03Å; F225-N251 VanDerWaalsContact CD2-OD1 3.28Å; F225-N251 WeakPolarHBondContact CD2-OD1 3.25Å; F225-N251 PolarHBondContact N-O 3.08Å; F225-N251 PolarHBondContact N-OD1 3.46Å
226G96.8Very high97.9Very high18 Ų1833.4 Ų33.419%0.18617%0.17CC..Hα-helixtrans60.7-170.1-17300000113.2G224 E228 G229 A230 N251G224-G226 VanDerWaalsContact C-N 3.29Å; G224-G226 PolarHBondContact O-N 3.39Å; G226-E228 PolarHBondContact O-N 2.73Å; G226-G229 PolarHBondContact O-N 2.85Å; G226-A230 WeakPolarHBondContact O-CB 3.42Å; G226-A230 PolarHBondContact O-N 3.36Å; G226-N251 PolarHBondContact N-O 3Å
227N97.6Very high97.9Very high34 Ų3429.3 Ų29.318%0.18215%0.153CC..Hα-helixtrans-68.3-34.1-178.6-67.2-7.9000112.7A230 L231 T254 E256 G257 M260N227-A230 WeakPolarHBondContact O-CB 3.3Å; N227-A230 PolarHBondContact O-N 3.13Å; N227-L231 PolarHBondContact O-N 3.33Å; N227-T254 PolarHBondContact ND2-OG1 3.16Å; N227-T254 PolarHBondContact OD1-N 3.2Å; N227-T254 PolarHBondContact OD1-OG1 3.36Å; N227-E256 PolarHBondContact ND2-OE2 3.45Å; N227-G257 WeakPolarHBondContact OD1-CA 3.46Å; N227-G257 PolarHBondContact OD1-N 3.33Å; N227-M260 HydrophobicContact CB-SD 4.49Å
228E96.4Very high97.8Very high126 Ų12629.1 Ų29.159%0.58915%0.151SC*.Hα-helixtrans-64.4-44.4176.6-66.8-176.217200112.1G226 A230 L231 A232G226-E228 PolarHBondContact O-N 2.73Å; E228-A230 VanDerWaalsContact C-N 3.32Å; E228-L231 PolarHBondContact O-N 3.4Å; E228-A232 PolarHBondContact O-N 2.96Å; E228-A232 VanDerWaalsContact O-N 3.08Å
229G97.5Very high97.8Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-64.9-37.3173.900000112F225 G226 A232 M233F225-G229 WeakPolarHBondContact O-CA 3.49Å; F225-G229 PolarHBondContact O-N 3.41Å; F225-G229 VanDerWaalsContact O-N 3.12Å; G226-G229 PolarHBondContact O-N 2.85Å; G229-A232 PolarHBondContact O-N 3.16Å; G229-M233 VanDerWaalsContact O-CB 3.29Å; G229-M233 WeakPolarHBondContact O-CB 3.46Å; G229-M233 PolarHBondContact O-N 2.86Å
230A98.2Very high97.8Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-63.9-40.2175.400000112.3G226 N227 E228 M233 G234 I253 G257 L261G226-A230 WeakPolarHBondContact O-CB 3.42Å; G226-A230 PolarHBondContact O-N 3.36Å; N227-A230 WeakPolarHBondContact O-CB 3.3Å; N227-A230 PolarHBondContact O-N 3.13Å; E228-A230 VanDerWaalsContact C-N 3.32Å; A230-M233 PolarHBondContact O-N 3.26Å; A230-G234 PolarHBondContact O-N 3.32Å; A230-I253 HydrophobicContact CB-CD1 4.25Å; A230-I253 HydrophobicContact CB-CG1 4.3Å; A230-I253 HydrophobicContact CB-CG2 3.96Å; A230-G257 WeakPolarHBondContact CB-O 3.26Å; A230-L261 HydrophobicContact CB-CD1 4.14Å; A230-L261 HydrophobicContact CB-CD2 4.45Å; A230-L261 HydrophobicContact CB-CG 3.97Å; A230-L261 VanDerWaalsContact O-CD2 3.26Å; A230-L261 WeakPolarHBondContact O-CD2 3.39Å
231L98.4Very high97.7Very high67 Ų6737.7 Ų37.735%0.35119%0.192SC..Hα-helixtrans-60.2-50.6172.2178.462.4000111.9N227 E228 M233 G234 E235 M260N227-L231 PolarHBondContact O-N 3.33Å; E228-L231 PolarHBondContact O-N 3.4Å; L231-M233 VanDerWaalsContact C-N 3.3Å; L231-M233 PolarHBondContact O-N 3.35Å; L231-G234 PolarHBondContact O-N 2.95Å; L231-E235 PolarHBondContact O-N 2.96Å; L231-M260 HydrophobicContact CB-CB 4.18Å; L231-M260 HydrophobicContact CB-CG 4.39Å; L231-M260 HydrophobicContact CB-SD 3.75Å; L231-M260 HydrophobicContact CD1-CB 4.02Å; L231-M260 HydrophobicContact CD1-CG 4.08Å; L231-M260 HydrophobicContact CD1-SD 4.27Å; L231-M260 HydrophobicContact CG-SD 4.42Å
232A98.6Very high97.7Very high16 Ų1638.7 Ų38.713%0.13220%0.197CC..Hα-helixtrans-63.4-38.3-179.700000112V203 S206 E228 G229 E235 A236V203-A232 HydrophobicContact CB-CB 4.23Å; V203-A232 HydrophobicContact CG1-CB 4.25Å; V203-A232 HydrophobicContact CG2-CB 4.02Å; S206-A232 WeakPolarHBondContact CB-O 3.5Å; E228-A232 PolarHBondContact O-N 2.96Å; E228-A232 VanDerWaalsContact O-N 3.08Å; G229-A232 PolarHBondContact O-N 3.16Å; A232-E235 PolarHBondContact O-N 3.04Å; A232-A236 PolarHBondContact O-N 3.28Å
233M98.8Very high97.8Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-66.8-39.6174.7-174.960.365.200111.8L209 L220 F225 G229 A230 L231 A236 L237 L246 L248 L261L209-M233 HydrophobicContact CD2-CE 3.92Å; L209-M233 HydrophobicContact CD2-SD 3.49Å; L209-M233 WeakPolarHBondContact CD2-SD 3.35Å; L220-M233 HydrophobicContact CD1-CE 3.44Å; L220-M233 VanDerWaalsContact CD1-CE 3.44Å; F225-M233 HydrophobicContact CE1-CE 3.89Å; F225-M233 HydrophobicContact CZ-CE 4.49Å; G229-M233 VanDerWaalsContact O-CB 3.29Å; G229-M233 WeakPolarHBondContact O-CB 3.46Å; G229-M233 PolarHBondContact O-N 2.86Å; A230-M233 PolarHBondContact O-N 3.26Å; L231-M233 VanDerWaalsContact C-N 3.3Å; L231-M233 PolarHBondContact O-N 3.35Å; M233-A236 WeakPolarHBondContact O-CB 3.47Å; M233-A236 PolarHBondContact O-N 2.95Å; M233-A236 VanDerWaalsContact O-N 3.15Å; M233-L237 HydrophobicContact CG-CD1 4.22Å; M233-L237 HydrophobicContact CG-CG 4.44Å; M233-L237 WeakPolarHBondContact O-CB 3.49Å; M233-L237 VanDerWaalsContact O-CG 3.29Å; M233-L237 WeakPolarHBondContact O-CG 3.29Å; M233-L237 PolarHBondContact O-N 2.83Å; M233-L237 HydrophobicContact SD-CG 4.43Å; M233-L246 HydrophobicContact CG-CD2 3.97Å; M233-L246 HydrophobicContact SD-CD1 4.49Å; M233-L246 HydrophobicContact SD-CD2 3.95Å; M233-L248 HydrophobicContact CG-CD1 4.12Å; M233-L261 HydrophobicContact CB-CD2 3.83Å; M233-L261 HydrophobicContact CG-CD2 3.83Å
234G98.5Very high97.8Very high2 Ų235.3 Ų35.32%0.02119%0.189CC..Hα-helixtrans-58.8-47.2172.200000111.7A230 L231 A236 L237 K238 G264A230-G234 PolarHBondContact O-N 3.32Å; L231-G234 PolarHBondContact O-N 2.95Å; G234-A236 VanDerWaalsContact C-N 3.28Å; G234-A236 PolarHBondContact O-N 3.09Å; G234-L237 PolarHBondContact O-N 2.82Å; G234-K238 PolarHBondContact O-N 2.84Å; G234-K238 VanDerWaalsContact O-N 3.08Å; G234-G264 WeakPolarHBondContact O-CA 3.39Å
235E98.4Very high98Very high86 Ų8636.5 Ų36.540%0.40219%0.187SC..Hα-helixtrans-62-33.5174-73.3-61.9145.300112.8L231 A232 F239L231-E235 PolarHBondContact O-N 2.96Å; A232-E235 PolarHBondContact O-N 3.04Å; E235-F239 VanDerWaalsContact O-CD2 3.26Å; E235-F239 WeakPolarHBondContact O-CD2 3.4Å
236A98.7Very high98.2Very high2 Ų236.4 Ų36.42%0.01719%0.187CC..Hα-helixtrans-68.7-48.2174.900000111.9S206 L209 K210 A232 M233 G234 K238 F239 N240S206-A236 VanDerWaalsContact O-CB 3.22Å; S206-A236 WeakPolarHBondContact O-CB 3.36Å; L209-A236 HydrophobicContact CB-CB 4.48Å; L209-A236 HydrophobicContact CD2-CB 4.44Å; K210-A236 HydrophobicContact CB-CB 4.06Å; A232-A236 PolarHBondContact O-N 3.28Å; M233-A236 WeakPolarHBondContact O-CB 3.47Å; M233-A236 PolarHBondContact O-N 2.95Å; M233-A236 VanDerWaalsContact O-N 3.15Å; G234-A236 VanDerWaalsContact C-N 3.28Å; G234-A236 PolarHBondContact O-N 3.09Å; A236-K238 PolarHBondContact O-N 2.59Å; A236-F239 PolarHBondContact O-N 2.88Å; A236-F239 VanDerWaalsContact O-N 3.09Å; A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 2.69Å
237L98.6Very high98.3Very high1 Ų136.3 Ų36.31%0.00518%0.182CC..Hα-helixtrans-61.1-29.2179.5-71.2172000112.8M233 G234 F239 L243 L246 L261 L265 N268 L271M233-L237 HydrophobicContact CG-CD1 4.22Å; M233-L237 HydrophobicContact CG-CG 4.44Å; M233-L237 WeakPolarHBondContact O-CB 3.49Å; M233-L237 VanDerWaalsContact O-CG 3.29Å; M233-L237 WeakPolarHBondContact O-CG 3.29Å; M233-L237 PolarHBondContact O-N 2.83Å; M233-L237 HydrophobicContact SD-CG 4.43Å; G234-L237 PolarHBondContact O-N 2.82Å; L237-F239 PolarHBondContact O-N 2.63Å; L237-L243 HydrophobicContact CD2-CD2 4.07Å; L237-L246 HydrophobicContact CD1-CD2 3.99Å; L237-L246 HydrophobicContact CD2-CD2 4.24Å; L237-L261 HydrophobicContact CD1-CD2 4.49Å; L237-L265 HydrophobicContact CD1-CD2 3.91Å; L237-L265 HydrophobicContact CD1-CG 4.46Å; L237-N268 PolarHBondContact O-ND2 3.48Å; L237-L271 HydrophobicContact CD1-CD2 4.34Å; L237-L271 HydrophobicContact CD2-CD2 4.2Å
238K97.9Very high98.3Very high77 Ų7734.7 Ų34.734%0.33517%0.174SC..THydrogen-bonded Turntrans-58.1-32.1174.9-175.9173-179.6175.20113.5G234 A236 Y267G234-K238 PolarHBondContact O-N 2.84Å; G234-K238 VanDerWaalsContact O-N 3.08Å; A236-K238 PolarHBondContact O-N 2.59Å; K238-Y267 HydrophobicContact CD-CD2 4.18Å; K238-Y267 HydrophobicContact CG-CD2 4.05Å; K238-Y267 HydrophobicContact CG-CG 4.22Å
239F98.1Very high98.4Very high108 Ų10829.3 Ų29.347%0.47415%0.149SC..THydrogen-bonded Turntrans-112.5-27.8-176.5-60.3-87.5000113.3K210 E235 A236 L237 N241K210-F239 HydrophobicContact CD-CD2 4.04Å; K210-F239 HydrophobicContact CG-CB 4.01Å; K210-F239 HydrophobicContact CG-CD2 4.07Å; K210-F239 HydrophobicContact CG-CG 4.34Å; E235-F239 VanDerWaalsContact O-CD2 3.26Å; E235-F239 WeakPolarHBondContact O-CD2 3.4Å; A236-F239 PolarHBondContact O-N 2.88Å; A236-F239 VanDerWaalsContact O-N 3.09Å; L237-F239 PolarHBondContact O-N 2.63Å; F239-N241 PolarHBondContact O-N 2.87Å
240N98.4Very high98.4Very high5 Ų530.8 Ų30.83%0.02716%0.158CC..  trans-67.1129.7175.9-176.4-77000109.8L209 N212 A236 T242 L243 N268L209-N240 PolarHBondContact O-ND2 2.82Å; N212-N240 PolarHBondContact O-ND2 3.37Å; A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 2.69Å; N240-T242 PolarHBondContact ND2-OG1 2.82Å; N240-T242 PolarHBondContact OD1-N 3.26Å; N240-T242 VanDerWaalsContact OD1-N 3.09Å; N240-L243 WeakPolarHBondContact OD1-CB 3.41Å; N240-L243 PolarHBondContact OD1-N 3.07Å; N240-N268 PolarHBondContact O-ND2 2.81Å
241N97.2Very high98.3Very high104 Ų10430.8 Ų30.856%0.55616%0.158SC*.  trans-126.122.9-17661.617.2000112.3F239 T270F239-N241 PolarHBondContact O-N 2.87Å; N241-T270 VanDerWaalsContact C-CG2 3.5Å; N241-T270 HydrophobicContact CB-CG2 4.22Å; N241-T270 WeakPolarHBondContact O-CG2 3.49Å
242T98.4Very high98.3Very high30 Ų3032 Ų3218%0.18417%0.17CC..SBendtrans-128.8-27-176.150.80000112.9T213 L215 N240 V244T213-T242 VanDerWaalsContact C-CG2 3.45Å; T213-T242 WeakPolarHBondContact O-CG2 3.31Å; L215-T242 CarbonylContact O-C 3.42Å; L215-T242 VanDerWaalsContact O-C 3.31Å; L215-T242 PolarHBondContact O-OG1 3.26Å; N240-T242 PolarHBondContact ND2-OG1 2.82Å; N240-T242 PolarHBondContact OD1-N 3.26Å; N240-T242 VanDerWaalsContact OD1-N 3.09Å; T242-V244 PolarHBondContact O-N 3.27Å
243L98.8Very high98.2Very high0 Ų031.2 Ų31.20%016%0.164CC..  trans-69.3127.5178.7-165.673000110.3L209 L215 K216 L218 L237 N240 L246 T270 L271L209-L243 HydrophobicContact CD2-CD2 4.25Å; L215-L243 HydrophobicContact CD2-CD1 4.27Å; L215-L243 HydrophobicContact CG-CD1 4.23Å; L215-L243 WeakPolarHBondContact O-CA 3.32Å; L215-L243 PolarHBondContact O-N 2.87Å; K216-L243 WeakPolarHBondContact O-CD1 3.48Å; L218-L243 HydrophobicContact CB-CD1 3.65Å; L218-L243 HydrophobicContact CD2-CD2 4.44Å; L237-L243 HydrophobicContact CD2-CD2 4.07Å; N240-L243 WeakPolarHBondContact OD1-CB 3.41Å; N240-L243 PolarHBondContact OD1-N 3.07Å; L243-L246 HydrophobicContact CD2-CB 3.94Å; L243-L246 HydrophobicContact CD2-CD1 4.26Å; L243-L246 HydrophobicContact CD2-CD2 4.33Å; L243-L246 HydrophobicContact CD2-CG 4.4Å; L243-T270 CarbonylContact O-C 3.48Å; L243-T270 PolarHBondContact O-OG1 3.42Å; L243-L271 HydrophobicContact CD2-CD1 4.13Å; L243-L271 HydrophobicContact CG-CD1 4.12Å; L243-L271 WeakPolarHBondContact O-CA 3.4Å; L243-L271 PolarHBondContact O-N 3.42Å
244V98.8Very high98.2Very high38 Ų3833.6 Ų33.623%0.2318%0.179CC..  trans-111.4-33.8-177.6178.30000111.1K216 T242 R272 V273K216-V244 PolarHBondContact O-N 2.88Å; T242-V244 PolarHBondContact O-N 3.27Å; V244-R272 HydrophobicContact CG1-CB 3.9Å; V244-R272 HydrophobicContact CG1-CG 3.96Å; V244-R272 PolarHBondContact O-N 3.02Å; V244-V273 PolarHBondContact O-N 3.22Å
245H98.8Very high98.2Very high50 Ų5035.2 Ų35.223%0.23119%0.187CC..EExtended strand (participates in β ladder)trans-132.2121.8-176.7-175.8-69.7000111K216 H217 L218 V273K216-H245 PolarHBondContact O-N 3.05Å; H217-H245 HydrophobicContact CB-CB 4.45Å; H217-H245 VanDerWaalsContact ND1-CB 3.32Å; H217-H245 WeakPolarHBondContact ND1-CB 3.43Å; H217-H245 AromaticContact ND1-CG 3.88Å; L218-H245 PolarHBondContact N-O 2.75Å; H245-V273 HydrophobicContact CB-CB 4.34Å; H245-V273 VanDerWaalsContact CD2-CB 3.45Å; H245-V273 WeakPolarHBondContact CD2-CB 3.31Å; H245-V273 VanDerWaalsContact CD2-CG1 3.4Å; H245-V273 WeakPolarHBondContact CD2-CG1 3.27Å
246L98.9Very high98.2Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-127.2120.9179177.957.4000110.8L218 L220 M233 L237 L243 L248 L271 V273 L274 L275L218-L246 HydrophobicContact CB-CD1 4.32Å; L218-L246 HydrophobicContact CD2-CD1 3.98Å; L218-L246 HydrophobicContact CG-CD1 4.08Å; L218-L246 WeakPolarHBondContact O-CA 3.28Å; L220-L246 HydrophobicContact CD1-CD1 4.29Å; M233-L246 HydrophobicContact CG-CD2 3.97Å; M233-L246 HydrophobicContact SD-CD1 4.49Å; M233-L246 HydrophobicContact SD-CD2 3.95Å; L237-L246 HydrophobicContact CD1-CD2 3.99Å; L237-L246 HydrophobicContact CD2-CD2 4.24Å; L243-L246 HydrophobicContact CD2-CB 3.94Å; L243-L246 HydrophobicContact CD2-CD1 4.26Å; L243-L246 HydrophobicContact CD2-CD2 4.33Å; L243-L246 HydrophobicContact CD2-CG 4.4Å; L246-L248 HydrophobicContact CD1-CD2 4.37Å; L246-L248 HydrophobicContact CD1-CG 4.09Å; L246-L248 HydrophobicContact CD2-CD1 3.88Å; L246-L248 HydrophobicContact CD2-CG 4.19Å; L246-L248 HydrophobicContact CG-CD1 4.2Å; L246-L248 HydrophobicContact CG-CG 3.97Å; L246-L271 HydrophobicContact CB-CD1 3.73Å; L246-L271 HydrophobicContact CB-CD2 4.37Å; L246-V273 PolarHBondContact N-O 3.34Å; L246-L274 HydrophobicContact CB-CD1 4.43Å; L246-L274 HydrophobicContact CD2-CD1 4.18Å; L246-L274 HydrophobicContact CG-CD1 4.3Å; L246-L274 WeakPolarHBondContact O-CA 3.43Å; L246-L275 PolarHBondContact O-N 2.94Å
247N98.8Very high98.2Very high17 Ų1736.4 Ų36.49%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-105.3115.5170.5-170.91.4000111.3L218 D219 L220 S221 S249 L275L218-N247 PolarHBondContact O-N 2.89Å; D219-N247 HydrophobicContact CB-CB 4.31Å; D219-N247 PolarHBondContact OD1-ND2 3.5Å; D219-N247 PolarHBondContact OD2-ND2 3.2Å; L220-N247 CarbonylContact C-O 3.43Å; L220-N247 WeakPolarHBondContact CA-O 3.48Å; L220-N247 PolarHBondContact N-O 2.88Å; S221-N247 PolarHBondContact N-O 3.48Å; N247-S249 WeakPolarHBondContact OD1-CB 3.47Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.06Å; N247-L275 HydrophobicContact CB-CB 4.22Å; N247-L275 HydrophobicContact CB-CD1 4.02Å; N247-L275 HydrophobicContact CB-CG 4.43Å; N247-L275 WeakPolarHBondContact OD1-CB 3.45Å
248L98.8Very high98.2Very high0 Ų036.4 Ų36.40%019%0.192CC..  trans-118.121.2174.6-71.3172000111.6L220 F225 M233 L246 N251 I253 L261 L274 L275 L276 N279L220-L248 HydrophobicContact CB-CD2 4.06Å; L220-L248 HydrophobicContact CD1-CD2 4.22Å; F225-L248 HydrophobicContact CD1-CD2 4.24Å; F225-L248 HydrophobicContact CE1-CD2 4.39Å; M233-L248 HydrophobicContact CG-CD1 4.12Å; L246-L248 HydrophobicContact CD1-CD2 4.37Å; L246-L248 HydrophobicContact CD1-CG 4.09Å; L246-L248 HydrophobicContact CD2-CD1 3.88Å; L246-L248 HydrophobicContact CD2-CG 4.19Å; L246-L248 HydrophobicContact CG-CD1 4.2Å; L246-L248 HydrophobicContact CG-CG 3.97Å; L248-N251 VanDerWaalsContact C-ND2 3.26Å; L248-N251 WeakPolarHBondContact O-CB 3.5Å; L248-N251 PolarHBondContact O-ND2 3.21Å; L248-I253 HydrophobicContact CB-CD1 4.1Å; L248-I253 HydrophobicContact CD1-CD1 4.28Å; L248-L261 HydrophobicContact CD1-CD1 4.07Å; L248-L261 HydrophobicContact CD1-CD2 4.07Å; L248-L274 HydrophobicContact CD1-CD1 4.49Å; L248-L275 CarbonylContact C-O 3.05Å; L248-L275 WeakPolarHBondContact CA-O 3.4Å; L248-L275 PolarHBondContact N-O 3.3Å; L248-L276 HydrophobicContact CB-CD2 3.82Å; L248-L276 HydrophobicContact CD1-CD2 4.28Å; L248-N279 PolarHBondContact O-ND2 3.15Å
249S98.1Very high98.3Very high12 Ų1235.2 Ų35.28%0.08419%0.194CC..THydrogen-bonded Turntrans-60.3149.1179.6-560000112S221 W222 N247 N251 L275 A277S221-S249 CarbonylContact C-O 3.58Å; S221-S249 WeakPolarHBondContact CA-O 3.28Å; S221-S249 VanDerWaalsContact CB-O 3.22Å; S221-S249 WeakPolarHBondContact CB-O 3.44Å; W222-S249 PolarHBondContact N-O 2.92Å; N247-S249 WeakPolarHBondContact OD1-CB 3.47Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.06Å; S249-N251 PolarHBondContact O-N 2.92Å; S249-N251 PolarHBondContact O-ND2 2.97Å; S249-N251 VanDerWaalsContact O-ND2 3.16Å; S249-L275 PolarHBondContact N-O 3.41Å; S249-A277 CarbonylContact C-O 3.37Å; S249-A277 WeakPolarHBondContact CA-O 3.18Å; S249-A277 WeakPolarHBondContact CB-O 3.17Å; S249-A277 PolarHBondContact OG-N 3.01Å
250N96.9Very high98.3Very high32 Ų3231.7 Ų31.717%0.17118%0.179CC..THydrogen-bonded Turntrans53.948179.2-65.1-84.6000114.4W222 A277 Y278W222-N250 VanDerWaalsContact CA-O 3.31Å; W222-N250 WeakPolarHBondContact CA-O 3.16Å; W222-N250 HydrophobicContact CD2-CB 3.4Å; W222-N250 VanDerWaalsContact CE2-CB 3.47Å; W222-N250 VanDerWaalsContact CE2-ND2 3.32Å; W222-N250 HydrophobicContact CE3-CB 3.76Å; W222-N250 HydrophobicContact CG-CB 3.76Å; W222-N250 HydrophobicContact CH2-CB 4.2Å; W222-N250 VanDerWaalsContact CH2-OD1 3.27Å; W222-N250 WeakPolarHBondContact CH2-OD1 3.22Å; W222-N250 HydrophobicContact CZ2-CB 3.91Å; W222-N250 WeakPolarHBondContact CZ2-ND2 3.18Å; W222-N250 WeakPolarHBondContact CZ2-OD1 3.33Å; W222-N250 HydrophobicContact CZ3-CB 4.13Å; W222-N250 PolarHBondContact N-O 2.97Å; W222-N250 PolarHBondContact NE1-ND2 2.91Å; N250-A277 PolarHBondContact N-O 3.42Å; N250-Y278 WeakPolarHBondContact CA-O 3.19Å; N250-Y278 WeakPolarHBondContact OD1-CB 3.35Å
251N97.6Very high98.3Very high0 Ų031.5 Ų31.50%018%0.178CC..SBendtrans-116.611.1-178.3-90.7-66.8000114.6L220 N223 G224 F225 G226 L248 S249 I253 N279L220-N251 PolarHBondContact O-ND2 2.97Å; N223-N251 WeakPolarHBondContact CA-OD1 3.36Å; N223-N251 WeakPolarHBondContact CB-OD1 3.45Å; N223-N251 PolarHBondContact N-OD1 2.88Å; N223-N251 VanDerWaalsContact N-OD1 3.13Å; G224-N251 CarbonylContact C-O 3.23Å; G224-N251 PolarHBondContact N-OD1 3.42Å; F225-N251 HydrophobicContact CB-CB 4.03Å; F225-N251 VanDerWaalsContact CD2-OD1 3.28Å; F225-N251 WeakPolarHBondContact CD2-OD1 3.25Å; F225-N251 PolarHBondContact N-O 3.08Å; F225-N251 PolarHBondContact N-OD1 3.46Å; G226-N251 PolarHBondContact N-O 3Å; L248-N251 VanDerWaalsContact C-ND2 3.26Å; L248-N251 WeakPolarHBondContact O-CB 3.5Å; L248-N251 PolarHBondContact O-ND2 3.21Å; S249-N251 PolarHBondContact O-N 2.92Å; S249-N251 PolarHBondContact O-ND2 2.97Å; S249-N251 VanDerWaalsContact O-ND2 3.16Å; N251-I253 HydrophobicContact CB-CD1 3.91Å; N251-I253 HydrophobicContact CB-CG1 3.88Å; N251-I253 PolarHBondContact O-N 3.38Å; N251-N279 VanDerWaalsContact C-OD1 3.31Å; N251-N279 WeakPolarHBondContact CA-OD1 3.25Å; N251-N279 PolarHBondContact N-OD1 3.39Å
252C96.6Very high98.3Very high91 Ų9127 Ų2762%0.61515%0.154SC*.  trans57.132.2-177.3-54.20000113.4N279C252-N279 PolarHBondContact N-OD1 2.95Å; C252-N279 VanDerWaalsContact N-OD1 3.08Å
253I98.1Very high98.3Very high0 Ų032.7 Ų32.70%017%0.173CC..  trans-79.8129.2177.1-58.3174.4000108.7A230 L248 N251 V258 L261 L276 N279 A280A230-I253 HydrophobicContact CB-CD1 4.25Å; A230-I253 HydrophobicContact CB-CG1 4.3Å; A230-I253 HydrophobicContact CB-CG2 3.96Å; L248-I253 HydrophobicContact CB-CD1 4.1Å; L248-I253 HydrophobicContact CD1-CD1 4.28Å; N251-I253 HydrophobicContact CB-CD1 3.91Å; N251-I253 HydrophobicContact CB-CG1 3.88Å; N251-I253 PolarHBondContact O-N 3.38Å; I253-V258 HydrophobicContact CG2-CG2 4.08Å; I253-L261 HydrophobicContact CD1-CD1 4.35Å; I253-L261 HydrophobicContact CG2-CD1 4.43Å; I253-L276 HydrophobicContact CD1-CD2 4.14Å; I253-N279 HydrophobicContact CB-CB 4.24Å; I253-N279 PolarHBondContact N-OD1 2.76Å; I253-N279 WeakPolarHBondContact O-CB 3.37Å; I253-A280 CarbonylContact O-C 3.54Å; I253-A280 WeakPolarHBondContact O-CA 3.13Å; I253-A280 PolarHBondContact O-N 3.49Å
254T98.5Very high98.2Very high50 Ų5032.8 Ų32.831%0.30717%0.173SC..BIsolated β-bridgetrans-97.3-179.2177.277.10000111.8N227 E256 G257 V258 A280N227-T254 PolarHBondContact ND2-OG1 3.16Å; N227-T254 PolarHBondContact OD1-N 3.2Å; N227-T254 PolarHBondContact OD1-OG1 3.36Å; T254-E256 PolarHBondContact O-N 2.88Å; T254-E256 PolarHBondContact OG1-N 2.77Å; T254-G257 PolarHBondContact O-N 2.97Å; T254-G257 VanDerWaalsContact O-N 3.12Å; T254-V258 WeakPolarHBondContact O-CG2 3.45Å; T254-V258 PolarHBondContact O-N 2.76Å; T254-A280 WeakPolarHBondContact CA-O 3.4Å; T254-A280 HydrophobicContact CG2-CB 4.08Å
255N98.5Very high98.2Very high36 Ų3631 Ų3119%0.19316%0.163CC..Hα-helixtrans-51.2-37.6171.7-62.1-21.2000112.6V258 S259 T282 E284 G285N255-V258 PolarHBondContact O-N 3.05Å; N255-S259 PolarHBondContact O-N 2.95Å; N255-T282 VanDerWaalsContact CG-OG1 3.22Å; N255-T282 PolarHBondContact ND2-OG1 3.31Å; N255-T282 PolarHBondContact OD1-N 3.01Å; N255-T282 PolarHBondContact OD1-OG1 3.12Å; N255-E284 PolarHBondContact ND2-OE2 3.44Å; N255-G285 PolarHBondContact OD1-N 3.31Å
256E98.5Very high98.1Very high114 Ų11432.1 Ų32.153%0.53317%0.171SC..Hα-helixtrans-64.8-49.1177.8178.5-173.1-16200110.9N227 T254 V258 S259 M260N227-E256 PolarHBondContact ND2-OE2 3.45Å; T254-E256 PolarHBondContact O-N 2.88Å; T254-E256 PolarHBondContact OG1-N 2.77Å; E256-V258 VanDerWaalsContact C-N 3.28Å; E256-V258 PolarHBondContact O-N 2.79Å; E256-S259 WeakPolarHBondContact O-CB 3.03Å; E256-S259 PolarHBondContact O-N 2.85Å; E256-S259 VanDerWaalsContact O-N 3.09Å; E256-M260 HydrophobicContact CG-CE 3.76Å; E256-M260 HydrophobicContact CG-SD 4.36Å; E256-M260 WeakPolarHBondContact O-CG 3.22Å; E256-M260 PolarHBondContact O-N 3.08Å
257G98.4Very high98Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-60.9-37.3175.800000112.5N227 A230 T254 M260 L261N227-G257 WeakPolarHBondContact OD1-CA 3.46Å; N227-G257 PolarHBondContact OD1-N 3.33Å; A230-G257 WeakPolarHBondContact CB-O 3.26Å; T254-G257 PolarHBondContact O-N 2.97Å; T254-G257 VanDerWaalsContact O-N 3.12Å; G257-M260 WeakPolarHBondContact O-CB 3.49Å; G257-M260 PolarHBondContact O-N 3.01Å; G257-L261 PolarHBondContact O-N 2.81Å
258V98.8Very high98Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-61.9-45.4171.6171.70000111.4I253 T254 N255 E256 M260 L261 C262 V281 G285 A288 L289I253-V258 HydrophobicContact CG2-CG2 4.08Å; T254-V258 WeakPolarHBondContact O-CG2 3.45Å; T254-V258 PolarHBondContact O-N 2.76Å; N255-V258 PolarHBondContact O-N 3.05Å; E256-V258 VanDerWaalsContact C-N 3.28Å; E256-V258 PolarHBondContact O-N 2.79Å; V258-M260 PolarHBondContact O-N 3.31Å; V258-L261 WeakPolarHBondContact O-CB 3.45Å; V258-L261 PolarHBondContact O-N 3Å; V258-L261 VanDerWaalsContact O-N 3.16Å; V258-C262 PolarHBondContact O-N 2.77Å; V258-C262 PolarHBondContact O-SG 3.21Å; V258-V281 HydrophobicContact CG2-CG1 4.35Å; V258-V281 HydrophobicContact CG2-CG2 3.58Å; V258-G285 WeakPolarHBondContact CG1-O 3.48Å; V258-A288 HydrophobicContact CG1-CB 4.44Å; V258-L289 HydrophobicContact CG1-CD1 4.02Å; V258-L289 HydrophobicContact CG1-CD2 3.94Å; V258-L289 HydrophobicContact CG1-CG 3.61Å
259S98.6Very high97.9Very high53 Ų5343.7 Ų43.737%0.37122%0.219SC..Hα-helixtrans-59.9-34.5176-179.10000112.1N255 E256 R263N255-S259 PolarHBondContact O-N 2.95Å; E256-S259 WeakPolarHBondContact O-CB 3.03Å; E256-S259 PolarHBondContact O-N 2.85Å; E256-S259 VanDerWaalsContact O-N 3.09Å; S259-R263 PolarHBondContact O-N 3.35Å
260M98.3Very high97.9Very high34 Ų3444.9 Ų44.917%0.16723%0.225CC..Hα-helixtrans-70.3-41.3175.9-64.4168169.900111.9N227 L231 E256 G257 V258 C262 R263N227-M260 HydrophobicContact CB-SD 4.49Å; L231-M260 HydrophobicContact CB-CB 4.18Å; L231-M260 HydrophobicContact CB-CG 4.39Å; L231-M260 HydrophobicContact CB-SD 3.75Å; L231-M260 HydrophobicContact CD1-CB 4.02Å; L231-M260 HydrophobicContact CD1-CG 4.08Å; L231-M260 HydrophobicContact CD1-SD 4.27Å; L231-M260 HydrophobicContact CG-SD 4.42Å; E256-M260 HydrophobicContact CG-CE 3.76Å; E256-M260 HydrophobicContact CG-SD 4.36Å; E256-M260 WeakPolarHBondContact O-CG 3.22Å; E256-M260 PolarHBondContact O-N 3.08Å; G257-M260 WeakPolarHBondContact O-CB 3.49Å; G257-M260 PolarHBondContact O-N 3.01Å; V258-M260 PolarHBondContact O-N 3.31Å; M260-C262 VanDerWaalsContact C-N 3.34Å; M260-C262 PolarHBondContact O-N 3.15Å; M260-R263 PolarHBondContact O-N 2.9Å
261L98.4Very high98Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-58.8-45171.4-73.8166.6000111.4A230 M233 L237 L248 I253 G257 V258 R263 G264 L265 L276A230-L261 HydrophobicContact CB-CD1 4.14Å; A230-L261 HydrophobicContact CB-CD2 4.45Å; A230-L261 HydrophobicContact CB-CG 3.97Å; A230-L261 VanDerWaalsContact O-CD2 3.26Å; A230-L261 WeakPolarHBondContact O-CD2 3.39Å; M233-L261 HydrophobicContact CB-CD2 3.83Å; M233-L261 HydrophobicContact CG-CD2 3.83Å; L237-L261 HydrophobicContact CD1-CD2 4.49Å; L248-L261 HydrophobicContact CD1-CD1 4.07Å; L248-L261 HydrophobicContact CD1-CD2 4.07Å; I253-L261 HydrophobicContact CD1-CD1 4.35Å; I253-L261 HydrophobicContact CG2-CD1 4.43Å; G257-L261 PolarHBondContact O-N 2.81Å; V258-L261 WeakPolarHBondContact O-CB 3.45Å; V258-L261 PolarHBondContact O-N 3Å; V258-L261 VanDerWaalsContact O-N 3.16Å; L261-R263 VanDerWaalsContact C-N 3.26Å; L261-R263 PolarHBondContact O-N 2.92Å; L261-G264 PolarHBondContact O-N 2.87Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.32Å; L261-L265 VanDerWaalsContact O-N 3.07Å; L261-L276 HydrophobicContact CD1-CD2 4.08Å
262C98.5Very high98.1Very high10 Ų1048.5 Ų48.57%0.06824%0.237CC..Hα-helixtrans-56.1-37.9179.9-72.70000112.9V258 M260 G264 L265 D266 V292V258-C262 PolarHBondContact O-N 2.77Å; V258-C262 PolarHBondContact O-SG 3.21Å; M260-C262 VanDerWaalsContact C-N 3.34Å; M260-C262 PolarHBondContact O-N 3.15Å; C262-G264 PolarHBondContact O-N 3.08Å; C262-L265 PolarHBondContact O-N 2.82Å; C262-L265 VanDerWaalsContact O-N 3.1Å; C262-D266 PolarHBondContact O-N 3.44Å; C262-V292 HydrophobicContact CB-CB 4.23Å; C262-V292 HydrophobicContact CB-CG2 3.84Å; C262-V292 WeakPolarHBondContact O-CG2 3.37Å
263R97.3Very high98.1Very high149 Ų14945.1 Ų45.156%0.56221%0.213SC*.Hα-helixtrans-59.7-30176.7-67.5175.6-177.9173.61.9113.5S259 M260 L261 Y267S259-R263 PolarHBondContact O-N 3.35Å; M260-R263 PolarHBondContact O-N 2.9Å; L261-R263 VanDerWaalsContact C-N 3.26Å; L261-R263 PolarHBondContact O-N 2.92Å; R263-Y267 WeakPolarHBondContact O-CD2 3.31Å
264G97.8Very high98.2Very high2 Ų245.1 Ų45.12%0.02121%0.213CC..Hα-helixtrans-78.4-45.4173.100000112.3G234 L261 C262 D266 Y267 N268G234-G264 WeakPolarHBondContact O-CA 3.39Å; L261-G264 PolarHBondContact O-N 2.87Å; C262-G264 PolarHBondContact O-N 3.08Å; G264-D266 PolarHBondContact O-N 3.22Å; G264-Y267 PolarHBondContact O-N 3.25Å; G264-Y267 VanDerWaalsContact O-N 3.13Å; G264-N268 PolarHBondContact O-N 2.95Å
265L98.3Very high98.2Very high1 Ų143.9 Ų43.91%0.00521%0.205CC..Hα-helixtrans-60.7-28.3178.8-65171000112.8L237 L261 C262 Y267 N268 L271 L274 V292 L301L237-L265 HydrophobicContact CD1-CD2 3.91Å; L237-L265 HydrophobicContact CD1-CG 4.46Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.32Å; L261-L265 VanDerWaalsContact O-N 3.07Å; C262-L265 PolarHBondContact O-N 2.82Å; C262-L265 VanDerWaalsContact O-N 3.1Å; L265-Y267 PolarHBondContact O-N 3.12Å; L265-Y267 VanDerWaalsContact O-N 3.1Å; L265-N268 PolarHBondContact O-N 3.18Å; L265-N268 VanDerWaalsContact O-N 3.11Å; L265-L271 HydrophobicContact CD2-CD2 3.66Å; L265-L274 HydrophobicContact CD1-CD2 3.72Å; L265-V292 HydrophobicContact CB-CG1 4.17Å; L265-V292 HydrophobicContact CB-CG2 4.07Å; L265-V292 HydrophobicContact CD1-CG1 4.35Å; L265-L301 HydrophobicContact CD1-CD1 4.36Å; L265-L301 HydrophobicContact CD2-CD1 4.32Å
266D96.6Very high98.2Very high74 Ų7442.1 Ų42.140%0.39620%0.195SC..THydrogen-bonded Turntrans-53.2-31.2174.9-80.2-35000112.8C262 G264 V292 S296C262-D266 PolarHBondContact O-N 3.44Å; G264-D266 PolarHBondContact O-N 3.22Å; D266-V292 WeakPolarHBondContact OD1-CG2 3.33Å; D266-S296 WeakPolarHBondContact CA-OG 3.07Å; D266-S296 PolarHBondContact O-OG 2.95Å
267Y96.4Very high97.9Very high149 Ų14936.9 Ų36.958%0.58417%0.172SC*.THydrogen-bonded Turntrans-106.5-9.7-178.9-61.8-84.6000113.6K238 R263 G264 L265K238-Y267 HydrophobicContact CD-CD2 4.18Å; K238-Y267 HydrophobicContact CG-CD2 4.05Å; K238-Y267 HydrophobicContact CG-CG 4.22Å; R263-Y267 WeakPolarHBondContact O-CD2 3.31Å; G264-Y267 PolarHBondContact O-N 3.25Å; G264-Y267 VanDerWaalsContact O-N 3.13Å; L265-Y267 PolarHBondContact O-N 3.12Å; L265-Y267 VanDerWaalsContact O-N 3.1Å
268N98.2Very high97.7Very high4 Ų443.9 Ų43.92%0.02120%0.199CC..  trans-83.6122.1-173.7-172.5-81.6000110.7L237 N240 G264 L265 T270 L271L237-N268 PolarHBondContact O-ND2 3.48Å; N240-N268 PolarHBondContact O-ND2 2.81Å; G264-N268 PolarHBondContact O-N 2.95Å; L265-N268 PolarHBondContact O-N 3.18Å; L265-N268 VanDerWaalsContact O-N 3.11Å; N268-T270 PolarHBondContact OD1-N 2.99Å; N268-T270 VanDerWaalsContact OD1-N 3.08Å; N268-L271 WeakPolarHBondContact OD1-CB 3.48Å; N268-L271 PolarHBondContact OD1-N 3.05Å
269E97.8Very high97.6Very high107 Ų10744.3 Ų44.350%0.520%0.201SC..SBendtrans-106.88.7-176.6-57.1-175.2-17400112.4K298 A300E269-K298 HydrophobicContact CG-CB 3.95Å; E269-K298 HydrophobicContact CG-CD 4.43Å; E269-K298 WeakPolarHBondContact OE1-CD 3.47Å; E269-K298 IonicContact OE1-NZ 3.5Å; E269-K298 PolarHBondContact OE1-NZ 3.42Å; E269-A300 VanDerWaalsContact O-CB 3.31Å; E269-A300 WeakPolarHBondContact O-CB 3.39Å
270T98.4Very high97.5Very high36 Ų3644.5 Ų44.522%0.22121%0.206CC..SBendtrans-126.6-28.6-170.664.10000115.4N241 L243 N268 R272N241-T270 VanDerWaalsContact C-CG2 3.5Å; N241-T270 HydrophobicContact CB-CG2 4.22Å; N241-T270 WeakPolarHBondContact O-CG2 3.49Å; L243-T270 CarbonylContact O-C 3.48Å; L243-T270 PolarHBondContact O-OG1 3.42Å; N268-T270 PolarHBondContact OD1-N 2.99Å; N268-T270 VanDerWaalsContact OD1-N 3.08Å; T270-R272 PolarHBondContact O-N 2.87Å
271L98.8Very high97.4Very high0 Ų043.4 Ų43.40%020%0.201CC..  trans-70.5119.7-179.3-170.673.4000109.4L237 L243 L246 L265 N268 L274 A300 L301L237-L271 HydrophobicContact CD1-CD2 4.34Å; L237-L271 HydrophobicContact CD2-CD2 4.2Å; L243-L271 HydrophobicContact CD2-CD1 4.13Å; L243-L271 HydrophobicContact CG-CD1 4.12Å; L243-L271 WeakPolarHBondContact O-CA 3.4Å; L243-L271 PolarHBondContact O-N 3.42Å; L246-L271 HydrophobicContact CB-CD1 3.73Å; L246-L271 HydrophobicContact CB-CD2 4.37Å; L265-L271 HydrophobicContact CD2-CD2 3.66Å; N268-L271 WeakPolarHBondContact OD1-CB 3.48Å; N268-L271 PolarHBondContact OD1-N 3.05Å; L271-L274 HydrophobicContact CD2-CB 4.26Å; L271-L274 HydrophobicContact CD2-CD1 4.41Å; L271-A300 CarbonylContact O-C 3.54Å; L271-A300 VanDerWaalsContact O-C 3.23Å; L271-L301 HydrophobicContact CD2-CD2 4.2Å; L271-L301 HydrophobicContact CG-CD2 4.23Å; L271-L301 WeakPolarHBondContact O-CA 3.36Å; L271-L301 WeakPolarHBondContact O-CD2 3.43Å; L271-L301 PolarHBondContact O-N 3.46Å; L271-L301 VanDerWaalsContact O-N 3.16Å
272R98.5Very high97.3Very high108 Ų10846.6 Ų46.641%0.40822%0.221SC..  trans-101.6-36.4-179.1-65.6174.966-152.9-3.8112.1V244 T270 A300 E302 Q303V244-R272 HydrophobicContact CG1-CB 3.9Å; V244-R272 HydrophobicContact CG1-CG 3.96Å; V244-R272 PolarHBondContact O-N 3.02Å; T270-R272 PolarHBondContact O-N 2.87Å; R272-A300 WeakPolarHBondContact CA-O 3.2Å; R272-A300 HydrophobicContact CG-CB 4.01Å; R272-A300 WeakPolarHBondContact CG-O 3.48Å; R272-E302 IonicContact CZ-OE1 3.89Å; R272-E302 IonicContact CZ-OE2 2.74Å; R272-E302 VanDerWaalsContact NE-CD 3.27Å; R272-E302 IonicContact NE-OE1 2.71Å; R272-E302 PolarHBondContact NE-OE1 3.09Å; R272-E302 IonicContact NE-OE2 3.87Å; R272-E302 PolarHBondContact NE-OE2 3.4Å; R272-E302 VanDerWaalsContact NH2-CD 3.29Å; R272-E302 IonicContact NH2-OE1 2.93Å; R272-E302 PolarHBondContact NH2-OE1 2.8Å; R272-E302 VanDerWaalsContact NH2-OE1 3.08Å; R272-E302 IonicContact NH2-OE2 3.16Å; R272-E302 PolarHBondContact NH2-OE2 2.71Å; R272-E302 PolarHBondContact O-N 2.99Å; R272-Q303 PolarHBondContact O-N 3.29Å
273V98.5Very high97.2Very high20 Ų2047.7 Ų47.712%0.12123%0.227CC..EExtended strand (participates in β ladder)trans-123.7121.1-175.3-176.60000110.3V244 H245 L246 L275 Q303V244-V273 PolarHBondContact O-N 3.22Å; H245-V273 HydrophobicContact CB-CB 4.34Å; H245-V273 VanDerWaalsContact CD2-CB 3.45Å; H245-V273 WeakPolarHBondContact CD2-CB 3.31Å; H245-V273 VanDerWaalsContact CD2-CG1 3.4Å; H245-V273 WeakPolarHBondContact CD2-CG1 3.27Å; L246-V273 PolarHBondContact N-O 3.34Å; V273-L275 HydrophobicContact CG1-CD2 3.61Å; V273-L275 HydrophobicContact CG1-CG 4.05Å; V273-Q303 HydrophobicContact CB-CB 4.42Å; V273-Q303 HydrophobicContact CG1-CB 4.14Å; V273-Q303 HydrophobicContact CG1-CG 4.33Å; V273-Q303 HydrophobicContact CG2-CB 4.13Å
274L98.9Very high97.3Very high1 Ų147 Ų471%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-122.1113.9175178.360.5000110.1L246 L248 L265 L271 L276 L289 L301 Q303 I304 N305L246-L274 HydrophobicContact CB-CD1 4.43Å; L246-L274 HydrophobicContact CD2-CD1 4.18Å; L246-L274 HydrophobicContact CG-CD1 4.3Å; L246-L274 WeakPolarHBondContact O-CA 3.43Å; L248-L274 HydrophobicContact CD1-CD1 4.49Å; L265-L274 HydrophobicContact CD1-CD2 3.72Å; L271-L274 HydrophobicContact CD2-CB 4.26Å; L271-L274 HydrophobicContact CD2-CD1 4.41Å; L274-L276 HydrophobicContact CD1-CD1 4.42Å; L274-L276 HydrophobicContact CD1-CG 4.21Å; L274-L276 HydrophobicContact CD2-CD1 3.84Å; L274-L276 HydrophobicContact CD2-CG 4.47Å; L274-L276 HydrophobicContact CG-CD1 3.96Å; L274-L276 HydrophobicContact CG-CG 4.07Å; L274-L289 HydrophobicContact CD2-CD2 4.01Å; L274-L301 HydrophobicContact CB-CD2 4.04Å; L274-Q303 PolarHBondContact N-O 3.15Å; L274-I304 WeakPolarHBondContact O-CA 3.5Å; L274-N305 PolarHBondContact O-N 2.91Å
275L98.6Very high97.3Very high23 Ų2346.9 Ų46.912%0.1223%0.23CC..EExtended strand (participates in β ladder)trans-104.6121.1178-44.6-180000110.2L246 N247 L248 S249 V273 N305L246-L275 PolarHBondContact O-N 2.94Å; N247-L275 HydrophobicContact CB-CB 4.22Å; N247-L275 HydrophobicContact CB-CD1 4.02Å; N247-L275 HydrophobicContact CB-CG 4.43Å; N247-L275 WeakPolarHBondContact OD1-CB 3.45Å; L248-L275 CarbonylContact C-O 3.05Å; L248-L275 WeakPolarHBondContact CA-O 3.4Å; L248-L275 PolarHBondContact N-O 3.3Å; S249-L275 PolarHBondContact N-O 3.41Å; V273-L275 HydrophobicContact CG1-CD2 3.61Å; V273-L275 HydrophobicContact CG1-CG 4.05Å; L275-N305 HydrophobicContact CB-CB 4.33Å; L275-N305 HydrophobicContact CD2-CB 3.49Å; L275-N305 VanDerWaalsContact CD2-CB 3.49Å
276L98.5Very high97.3Very high0 Ų046.9 Ų46.90%023%0.229CC..  trans-128.616.3-177.2-74.6168.6000112.1L248 I253 L261 L274 N279 L289 N305 I306L248-L276 HydrophobicContact CB-CD2 3.82Å; L248-L276 HydrophobicContact CD1-CD2 4.28Å; I253-L276 HydrophobicContact CD1-CD2 4.14Å; L261-L276 HydrophobicContact CD1-CD2 4.08Å; L274-L276 HydrophobicContact CD1-CD1 4.42Å; L274-L276 HydrophobicContact CD1-CG 4.21Å; L274-L276 HydrophobicContact CD2-CD1 3.84Å; L274-L276 HydrophobicContact CD2-CG 4.47Å; L274-L276 HydrophobicContact CG-CD1 3.96Å; L274-L276 HydrophobicContact CG-CG 4.07Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; L276-N279 PolarHBondContact O-N 2.93Å; L276-N279 PolarHBondContact O-ND2 3.34Å; L276-L289 HydrophobicContact CD1-CD1 3.8Å; L276-L289 HydrophobicContact CD1-CD2 3.92Å; L276-L289 HydrophobicContact CD1-CG 4.5Å; L276-N305 CarbonylContact C-O 3.48Å; L276-N305 WeakPolarHBondContact CA-O 3.04Å; L276-N305 PolarHBondContact N-O 3.06Å; L276-I306 HydrophobicContact CB-CG2 3.96Å
277A93.4Very high97.4Very high4 Ų445.3 Ų45.33%0.03322%0.221CC..THydrogen-bonded Turntrans-58.1148.8-17800000112.1S249 N250 N279 N305 N308S249-A277 CarbonylContact C-O 3.37Å; S249-A277 WeakPolarHBondContact CA-O 3.18Å; S249-A277 WeakPolarHBondContact CB-O 3.17Å; S249-A277 PolarHBondContact OG-N 3.01Å; N250-A277 PolarHBondContact N-O 3.42Å; A277-N279 PolarHBondContact O-N 3.1Å; A277-N305 PolarHBondContact N-O 2.83Å; A277-N305 VanDerWaalsContact N-O 3.11Å; A277-N308 WeakPolarHBondContact CA-OD1 3.27Å
278Y93.7Very high97.5Very high146 Ų14639.5 Ų39.557%0.57320%0.204SC*.THydrogen-bonded Turntrans5532.7179.1-53.1-79.1000113.9N250 N308N250-Y278 WeakPolarHBondContact CA-O 3.19Å; N250-Y278 WeakPolarHBondContact OD1-CB 3.35Å; Y278-N308 WeakPolarHBondContact CA-ND2 3.34Å; Y278-N308 HydrophobicContact CD1-CB 4Å; Y278-N308 HydrophobicContact CE1-CB 4.1Å; Y278-N308 PolarHBondContact N-OD1 2.83Å
279N96.8Very high97.5Very high10 Ų1039.4 Ų39.45%0.05320%0.203CC..SBendtrans-94.5172.5162.5-78.3-70.6000110.8L248 N251 C252 I253 L276 A277 V281 N308L248-N279 PolarHBondContact O-ND2 3.15Å; N251-N279 VanDerWaalsContact C-OD1 3.31Å; N251-N279 WeakPolarHBondContact CA-OD1 3.25Å; N251-N279 PolarHBondContact N-OD1 3.39Å; C252-N279 PolarHBondContact N-OD1 2.95Å; C252-N279 VanDerWaalsContact N-OD1 3.08Å; I253-N279 HydrophobicContact CB-CB 4.24Å; I253-N279 PolarHBondContact N-OD1 2.76Å; I253-N279 WeakPolarHBondContact O-CB 3.37Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; L276-N279 PolarHBondContact O-N 2.93Å; L276-N279 PolarHBondContact O-ND2 3.34Å; A277-N279 PolarHBondContact O-N 3.1Å; N279-V281 HydrophobicContact CB-CG2 3.81Å; N279-V281 PolarHBondContact O-N 2.99Å; N279-N308 PolarHBondContact O-ND2 2.95Å
280A95.3Very high97.5Very high57 Ų5734.3 Ų34.347%0.47118%0.179SC..BIsolated β-bridgetrans-81.844.5177.100000111.7I253 T254I253-A280 CarbonylContact O-C 3.54Å; I253-A280 WeakPolarHBondContact O-CA 3.13Å; I253-A280 PolarHBondContact O-N 3.49Å; T254-A280 WeakPolarHBondContact CA-O 3.4Å; T254-A280 HydrophobicContact CG2-CB 4.08Å
281V96.1Very high97.5Very high11 Ų1135.4 Ų35.47%0.06718%0.184CC..  trans-90134.2-179.8-178.10000108.8V258 N279 V309V258-V281 HydrophobicContact CG2-CG1 4.35Å; V258-V281 HydrophobicContact CG2-CG2 3.58Å; N279-V281 HydrophobicContact CB-CG2 3.81Å; N279-V281 PolarHBondContact O-N 2.99Å; V281-V309 HydrophobicContact CB-CG2 3.96Å; V281-V309 HydrophobicContact CG1-CG2 4.07Å; V281-V309 WeakPolarHBondContact O-CG2 3.19Å
282T97.1Very high97.4Very high66 Ų6635.7 Ų35.741%0.40519%0.186SC..  trans-111.6-175.7173.2690000109.8N255 E284 G285 A286N255-T282 VanDerWaalsContact CG-OG1 3.22Å; N255-T282 PolarHBondContact ND2-OG1 3.31Å; N255-T282 PolarHBondContact OD1-N 3.01Å; N255-T282 PolarHBondContact OD1-OG1 3.12Å; T282-E284 PolarHBondContact O-N 3.03Å; T282-E284 VanDerWaalsContact O-N 3.14Å; T282-E284 PolarHBondContact OG1-N 3.36Å; T282-G285 PolarHBondContact O-N 3.03Å; T282-G285 VanDerWaalsContact O-N 3.14Å; T282-A286 PolarHBondContact O-N 3.08Å
283V97.1Very high97.4Very high34 Ų3430.5 Ų30.521%0.20617%0.166CC..Hα-helixtrans-55.1-29.9174.469.60000113.4A286 L287 V311 N312 F315V283-A286 WeakPolarHBondContact O-CB 3.47Å; V283-A286 PolarHBondContact O-N 2.75Å; V283-L287 HydrophobicContact CG2-CD1 4.36Å; V283-L287 HydrophobicContact CG2-CG 4.42Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 VanDerWaalsContact O-CG 3.25Å; V283-L287 WeakPolarHBondContact O-CG 3.31Å; V283-L287 PolarHBondContact O-N 3.19Å; V283-V311 HydrophobicContact CG2-CB 4.23Å; V283-N312 HydrophobicContact CG2-CB 4.47Å; V283-F315 HydrophobicContact CG2-CB 4.04Å
284E97.8Very high97.3Very high133 Ų13332.5 Ų32.562%0.62117%0.173SC*.Hα-helixtrans-65.2-47176.6-64179.8168.600112.1N255 T282 A286 L287 A288N255-E284 PolarHBondContact ND2-OE2 3.44Å; T282-E284 PolarHBondContact O-N 3.03Å; T282-E284 VanDerWaalsContact O-N 3.14Å; T282-E284 PolarHBondContact OG1-N 3.36Å; E284-A286 VanDerWaalsContact C-N 3.32Å; E284-L287 PolarHBondContact O-N 3.17Å; E284-A288 PolarHBondContact O-N 3.35Å
285G98.3Very high97.2Very high1 Ų137.8 Ų37.81%0.0120%0.201CC..Hα-helixtrans-66.4-36174.700000111.9N255 V258 T282 A288 L289N255-G285 PolarHBondContact OD1-N 3.31Å; V258-G285 WeakPolarHBondContact CG1-O 3.48Å; T282-G285 PolarHBondContact O-N 3.03Å; T282-G285 VanDerWaalsContact O-N 3.14Å; G285-A288 WeakPolarHBondContact O-CB 3.3Å; G285-A288 PolarHBondContact O-N 2.92Å; G285-L289 WeakPolarHBondContact O-CG 3.44Å; G285-L289 PolarHBondContact O-N 3.24Å
286A98.3Very high97Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-61.2-44.7173.500000112T282 V283 E284 A288 L289 V290 I306 V309 V311 F315T282-A286 PolarHBondContact O-N 3.08Å; V283-A286 WeakPolarHBondContact O-CB 3.47Å; V283-A286 PolarHBondContact O-N 2.75Å; E284-A286 VanDerWaalsContact C-N 3.32Å; A286-A288 VanDerWaalsContact C-N 3.33Å; A286-A288 PolarHBondContact O-N 3.45Å; A286-L289 PolarHBondContact O-N 3.48Å; A286-V290 PolarHBondContact O-N 3.37Å; A286-V290 VanDerWaalsContact O-N 3.09Å; A286-I306 HydrophobicContact CB-CD1 3.46Å; A286-I306 VanDerWaalsContact CB-CD1 3.46Å; A286-V309 HydrophobicContact CB-CG1 4.26Å; A286-V311 HydrophobicContact CB-CG1 4.33Å; A286-F315 HydrophobicContact CB-CD2 3.75Å; A286-F315 HydrophobicContact CB-CE2 3.5Å; A286-F315 HydrophobicContact CB-CZ 4.37Å
287L98.5Very high96.5Very high41 Ų4142.6 Ų42.622%0.21523%0.234CC..Hα-helixtrans-61.3-40.3174.6-75.1167.4000111.7V283 E284 L289 V290 N291 F315 L318V283-L287 HydrophobicContact CG2-CD1 4.36Å; V283-L287 HydrophobicContact CG2-CG 4.42Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 VanDerWaalsContact O-CG 3.25Å; V283-L287 WeakPolarHBondContact O-CG 3.31Å; V283-L287 PolarHBondContact O-N 3.19Å; E284-L287 PolarHBondContact O-N 3.17Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 2.82Å; L287-V290 PolarHBondContact O-N 3.28Å; L287-N291 VanDerWaalsContact O-CB 3.32Å; L287-N291 WeakPolarHBondContact O-CB 3.49Å; L287-N291 PolarHBondContact O-N 3.37Å; L287-N291 PolarHBondContact O-ND2 3.12Å; L287-N291 VanDerWaalsContact O-ND2 3.07Å; L287-F315 HydrophobicContact CD2-CB 3.89Å; L287-F315 HydrophobicContact CD2-CD2 4.16Å; L287-F315 HydrophobicContact CG-CB 4.36Å; L287-F315 HydrophobicContact CG-CD2 4.31Å; L287-L318 HydrophobicContact CD2-CB 4.42Å; L287-L318 HydrophobicContact CD2-CD2 3.67Å
288A98.6Very high96.5Very high28 Ų2849.1 Ų49.123%0.23126%0.262CS..Hα-helixtrans-60.1-43.7175.700000112V258 E284 G285 A286 N291 V292V258-A288 HydrophobicContact CG1-CB 4.44Å; E284-A288 PolarHBondContact O-N 3.35Å; G285-A288 WeakPolarHBondContact O-CB 3.3Å; G285-A288 PolarHBondContact O-N 2.92Å; A286-A288 VanDerWaalsContact C-N 3.33Å; A286-A288 PolarHBondContact O-N 3.45Å; A288-N291 PolarHBondContact O-N 2.82Å; A288-V292 PolarHBondContact O-N 3.25Å
289L98.6Very high96.7Very high1 Ų143 Ų431%0.00524%0.239CC..Hα-helixtrans-62.5-42.2176.3-72.2164.6000112.4V258 L274 L276 G285 A286 L287 V292 V293 I304 I306V258-L289 HydrophobicContact CG1-CD1 4.02Å; V258-L289 HydrophobicContact CG1-CD2 3.94Å; V258-L289 HydrophobicContact CG1-CG 3.61Å; L274-L289 HydrophobicContact CD2-CD2 4.01Å; L276-L289 HydrophobicContact CD1-CD1 3.8Å; L276-L289 HydrophobicContact CD1-CD2 3.92Å; L276-L289 HydrophobicContact CD1-CG 4.5Å; G285-L289 WeakPolarHBondContact O-CG 3.44Å; G285-L289 PolarHBondContact O-N 3.24Å; A286-L289 PolarHBondContact O-N 3.48Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 2.82Å; L289-V292 VanDerWaalsContact O-CG1 3.31Å; L289-V292 WeakPolarHBondContact O-CG1 3.47Å; L289-V292 PolarHBondContact O-N 3.3Å; L289-V293 PolarHBondContact O-N 2.88Å; L289-I304 HydrophobicContact CB-CD1 4.23Å; L289-I304 HydrophobicContact CB-CG2 4.49Å; L289-I304 HydrophobicContact CD1-CG2 3.99Å; L289-I306 HydrophobicContact CD1-CG2 3.92Å
290V98.3Very high96.7Very high0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-72-36.3178.5178.70000111.5A286 L287 V292 V293 K294 F315 L318 L319 T322A286-V290 PolarHBondContact O-N 3.37Å; A286-V290 VanDerWaalsContact O-N 3.09Å; L287-V290 PolarHBondContact O-N 3.28Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V290-V293 PolarHBondContact O-N 2.96Å; V290-K294 WeakPolarHBondContact O-CB 3.43Å; V290-K294 PolarHBondContact O-N 2.79Å; V290-F315 HydrophobicContact CG2-CD2 4.23Å; V290-F315 HydrophobicContact CG2-CE2 3.43Å; V290-F315 VanDerWaalsContact CG2-CE2 3.43Å; V290-F315 HydrophobicContact CG2-CZ 3.87Å; V290-L318 HydrophobicContact CB-CD2 4.04Å; V290-L318 HydrophobicContact CB-CG 4.39Å; V290-L318 HydrophobicContact CG1-CD2 3.91Å; V290-L318 HydrophobicContact CG1-CG 3.71Å; V290-L319 HydrophobicContact CG1-CB 4.25Å; V290-L319 HydrophobicContact CG1-CD1 4.25Å; V290-L319 HydrophobicContact CG2-CD1 4.18Å; V290-T322 HydrophobicContact CG1-CG2 4.24Å; V290-T322 VanDerWaalsContact CG1-OG1 3.3Å; V290-T322 WeakPolarHBondContact CG1-OG1 3.17Å
291N98.1Very high96.8Very high60 Ų6041.3 Ų41.332%0.32123%0.226SC..Hα-helixtrans-64.4-36.7175.1-81.7-42.4000112.4L287 A288 V293 K294 N295 L318L287-N291 VanDerWaalsContact O-CB 3.32Å; L287-N291 WeakPolarHBondContact O-CB 3.49Å; L287-N291 PolarHBondContact O-N 3.37Å; L287-N291 PolarHBondContact O-ND2 3.12Å; L287-N291 VanDerWaalsContact O-ND2 3.07Å; A288-N291 PolarHBondContact O-N 2.82Å; N291-V293 VanDerWaalsContact C-N 3.31Å; N291-V293 PolarHBondContact O-N 3.08Å; N291-K294 PolarHBondContact O-N 2.9Å; N291-N295 WeakPolarHBondContact O-CB 3.32Å; N291-N295 VanDerWaalsContact O-CG 3.25Å; N291-N295 PolarHBondContact O-N 3.42Å; N291-N295 PolarHBondContact O-ND2 2.99Å; N291-L318 WeakPolarHBondContact OD1-CD2 3.45Å
292V97.6Very high96.7Very high5 Ų544 Ų443%0.0324%0.238CC..Hα-helixtrans-60.6-44.3176.697.80000110.5C262 L265 D266 A288 L289 V290 N295 S296 L301C262-V292 HydrophobicContact CB-CB 4.23Å; C262-V292 HydrophobicContact CB-CG2 3.84Å; C262-V292 WeakPolarHBondContact O-CG2 3.37Å; L265-V292 HydrophobicContact CB-CG1 4.17Å; L265-V292 HydrophobicContact CB-CG2 4.07Å; L265-V292 HydrophobicContact CD1-CG1 4.35Å; D266-V292 WeakPolarHBondContact OD1-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.25Å; L289-V292 VanDerWaalsContact O-CG1 3.31Å; L289-V292 WeakPolarHBondContact O-CG1 3.47Å; L289-V292 PolarHBondContact O-N 3.3Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V292-N295 PolarHBondContact O-N 2.94Å; V292-S296 WeakPolarHBondContact O-CB 3.33Å; V292-S296 PolarHBondContact O-N 3.1Å; V292-S296 VanDerWaalsContact O-N 3.09Å; V292-S296 PolarHBondContact O-OG 3.03Å; V292-L301 HydrophobicContact CG1-CD1 4.29Å
293V97.8Very high96.7Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-65.2-45.5178.2178.90000110.6L289 V290 N291 N295 S296 T299 L301 I304 T322 H326 L329L289-V293 PolarHBondContact O-N 2.88Å; V290-V293 PolarHBondContact O-N 2.96Å; N291-V293 VanDerWaalsContact C-N 3.31Å; N291-V293 PolarHBondContact O-N 3.08Å; V293-N295 VanDerWaalsContact C-N 3.3Å; V293-N295 PolarHBondContact O-N 3.37Å; V293-S296 PolarHBondContact O-N 3.47Å; V293-T299 HydrophobicContact CB-CG2 4.44Å; V293-T299 HydrophobicContact CG1-CG2 3.86Å; V293-L301 HydrophobicContact CG2-CB 4.07Å; V293-L301 HydrophobicContact CG2-CD1 3.92Å; V293-I304 HydrophobicContact CG2-CD1 3.97Å; V293-T322 HydrophobicContact CB-CG2 4.05Å; V293-T322 HydrophobicContact CG1-CG2 3.82Å; V293-H326 HydrophobicContact CG1-CB 4.23Å; V293-H326 PolarHBondContact O-NE2 3.4Å; V293-L329 HydrophobicContact CB-CD2 4.3Å; V293-L329 HydrophobicContact CG1-CD1 4.28Å; V293-L329 HydrophobicContact CG1-CD2 3.89Å; V293-L329 HydrophobicContact CG2-CD1 4.18Å; V293-L329 HydrophobicContact CG2-CD2 4.48Å
294K96.8Very high96.8Very high62 Ų6241.9 Ų41.927%0.2722%0.221SC..Hα-helixtrans-59-39.5179.1-169.1175.7177.9176.90113.2V290 N291 L318 T322V290-K294 WeakPolarHBondContact O-CB 3.43Å; V290-K294 PolarHBondContact O-N 2.79Å; N291-K294 PolarHBondContact O-N 2.9Å; K294-L318 HydrophobicContact CD-CD1 3.69Å; K294-T322 HydrophobicContact CB-CG2 4.01Å; K294-T322 WeakPolarHBondContact CB-OG1 3.4Å
295N95.9Very high96.7Very high111 Ų11136.7 Ų36.759%0.59420%0.198SC*.Hα-helixtrans-90.2-8.9-174.1-64.1-29000113.1N291 V292 V293 P297N291-N295 WeakPolarHBondContact O-CB 3.32Å; N291-N295 VanDerWaalsContact O-CG 3.25Å; N291-N295 PolarHBondContact O-N 3.42Å; N291-N295 PolarHBondContact O-ND2 2.99Å; V292-N295 PolarHBondContact O-N 2.94Å; V293-N295 VanDerWaalsContact C-N 3.3Å; V293-N295 PolarHBondContact O-N 3.37Å; N295-P297 VanDerWaalsContact O-CD 3.29Å; N295-P297 WeakPolarHBondContact O-CD 3.44Å
296S94.7Very high96.6Very high11 Ų1136.7 Ų36.78%0.07720%0.198CC..  trans-11486.8-177.6-68.50000111.2D266 V292 V293 K298 T299D266-S296 WeakPolarHBondContact CA-OG 3.07Å; D266-S296 PolarHBondContact O-OG 2.95Å; V292-S296 WeakPolarHBondContact O-CB 3.33Å; V292-S296 PolarHBondContact O-N 3.1Å; V292-S296 VanDerWaalsContact O-N 3.09Å; V292-S296 PolarHBondContact O-OG 3.03Å; V293-S296 PolarHBondContact O-N 3.47Å; S296-K298 PolarHBondContact O-N 3Å; S296-T299 WeakPolarHBondContact O-CB 3.36Å; S296-T299 WeakPolarHBondContact O-CG2 3.28Å; S296-T299 PolarHBondContact O-N 2.95Å
297P88.6Confident96.3Very high113 Ų11338.7 Ų38.773%0.73421%0.211SC*.THydrogen-bonded Turntrans-62.7-19.7-174.724.8-35.2000114N295N295-P297 VanDerWaalsContact O-CD 3.29Å; N295-P297 WeakPolarHBondContact O-CD 3.44Å
298K93.3Very high95.8Very high141 Ų14138.8 Ų38.861%0.61321%0.212SC*.THydrogen-bonded Turntrans-95.30.8178.1-61.5-171.8179-175.80114.2E269 S296 A300E269-K298 HydrophobicContact CG-CB 3.95Å; E269-K298 HydrophobicContact CG-CD 4.43Å; E269-K298 WeakPolarHBondContact OE1-CD 3.47Å; E269-K298 IonicContact OE1-NZ 3.5Å; E269-K298 PolarHBondContact OE1-NZ 3.42Å; S296-K298 PolarHBondContact O-N 3Å; K298-A300 PolarHBondContact O-N 3.16Å
299T96.4Very high95.5Very high17 Ų1737.6 Ų37.610%0.10420%0.201CC..  trans-59.6138.7178.9-169.60000110.6V293 S296 L301V293-T299 HydrophobicContact CB-CG2 4.44Å; V293-T299 HydrophobicContact CG1-CG2 3.86Å; S296-T299 WeakPolarHBondContact O-CB 3.36Å; S296-T299 WeakPolarHBondContact O-CG2 3.28Å; S296-T299 PolarHBondContact O-N 2.95Å; T299-L301 VanDerWaalsContact C-N 3.34Å; T299-L301 PolarHBondContact OG1-N 3.29Å
300A97.3Very high95.2Very high25 Ų2542.1 Ų42.121%0.20723%0.225CC..  trans-91.31.9171.600000112.5E269 L271 R272 K298 E302E269-A300 VanDerWaalsContact O-CB 3.31Å; E269-A300 WeakPolarHBondContact O-CB 3.39Å; L271-A300 CarbonylContact O-C 3.54Å; L271-A300 VanDerWaalsContact O-C 3.23Å; R272-A300 WeakPolarHBondContact CA-O 3.2Å; R272-A300 HydrophobicContact CG-CB 4.01Å; R272-A300 WeakPolarHBondContact CG-O 3.48Å; K298-A300 PolarHBondContact O-N 3.16Å; A300-E302 PolarHBondContact O-N 2.92Å; A300-E302 VanDerWaalsContact O-N 3.12Å
301L97.8Very high95Very high7 Ų742.2 Ų42.24%0.03723%0.226CC..  trans-61.2117.8-175.9-78.9172.4000111.3L265 L271 L274 V292 V293 T299L265-L301 HydrophobicContact CD1-CD1 4.36Å; L265-L301 HydrophobicContact CD2-CD1 4.32Å; L271-L301 HydrophobicContact CD2-CD2 4.2Å; L271-L301 HydrophobicContact CG-CD2 4.23Å; L271-L301 WeakPolarHBondContact O-CA 3.36Å; L271-L301 WeakPolarHBondContact O-CD2 3.43Å; L271-L301 PolarHBondContact O-N 3.46Å; L271-L301 VanDerWaalsContact O-N 3.16Å; L274-L301 HydrophobicContact CB-CD2 4.04Å; V292-L301 HydrophobicContact CG1-CD1 4.29Å; V293-L301 HydrophobicContact CG2-CB 4.07Å; V293-L301 HydrophobicContact CG2-CD1 3.92Å; T299-L301 VanDerWaalsContact C-N 3.34Å; T299-L301 PolarHBondContact OG1-N 3.29Å
302E95Very high94.8Very high67 Ų6741.8 Ų41.831%0.31322%0.224SC..  trans-113.6-24.4178.2-74.3171.5-155.200111.6R272 A300 L329 D330R272-E302 IonicContact CZ-OE1 3.89Å; R272-E302 IonicContact CZ-OE2 2.74Å; R272-E302 VanDerWaalsContact NE-CD 3.27Å; R272-E302 IonicContact NE-OE1 2.71Å; R272-E302 PolarHBondContact NE-OE1 3.09Å; R272-E302 IonicContact NE-OE2 3.87Å; R272-E302 PolarHBondContact NE-OE2 3.4Å; R272-E302 VanDerWaalsContact NH2-CD 3.29Å; R272-E302 IonicContact NH2-OE1 2.93Å; R272-E302 PolarHBondContact NH2-OE1 2.8Å; R272-E302 VanDerWaalsContact NH2-OE1 3.08Å; R272-E302 IonicContact NH2-OE2 3.16Å; R272-E302 PolarHBondContact NH2-OE2 2.71Å; R272-E302 PolarHBondContact O-N 2.99Å; A300-E302 PolarHBondContact O-N 2.92Å; A300-E302 VanDerWaalsContact O-N 3.12Å; E302-L329 CarbonylContact O-C 3.48Å; E302-D330 WeakPolarHBondContact O-CB 3.4Å; E302-D330 PolarHBondContact O-N 2.92Å
303Q96.7Very high94.5Very high57 Ų5746.1 Ų46.127%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-140.1127.1-178.4-172.5-179.6-1.400111.7R272 V273 L274 D330R272-Q303 PolarHBondContact O-N 3.29Å; V273-Q303 HydrophobicContact CB-CB 4.42Å; V273-Q303 HydrophobicContact CG1-CB 4.14Å; V273-Q303 HydrophobicContact CG1-CG 4.33Å; V273-Q303 HydrophobicContact CG2-CB 4.13Å; L274-Q303 PolarHBondContact N-O 3.15Å; Q303-D330 CarbonylContact C-O 3.59Å; Q303-D330 VanDerWaalsContact CA-O 3.31Å; Q303-D330 WeakPolarHBondContact CA-O 3.43Å; Q303-D330 HydrophobicContact CG-CB 4.39Å
304I98.5Very high94.4Very high0 Ų051.7 Ų51.70%027%0.273CS..EExtended strand (participates in β ladder)trans-123.6118.7171.4-57.5178.4000108.3L274 L289 V293 I306 L329 D330 V331 Q332L274-I304 WeakPolarHBondContact O-CA 3.5Å; L289-I304 HydrophobicContact CB-CD1 4.23Å; L289-I304 HydrophobicContact CB-CG2 4.49Å; L289-I304 HydrophobicContact CD1-CG2 3.99Å; V293-I304 HydrophobicContact CG2-CD1 3.97Å; I304-I306 HydrophobicContact CG2-CG2 4.36Å; I304-L329 HydrophobicContact CD1-CD1 4.32Å; I304-L329 HydrophobicContact CG1-CD1 4.42Å; I304-D330 PolarHBondContact N-O 3.37Å; I304-V331 HydrophobicContact CB-CG1 4.26Å; I304-V331 HydrophobicContact CB-CG2 4.25Å; I304-V331 HydrophobicContact CG2-CG1 4.41Å; I304-V331 WeakPolarHBondContact O-CA 3.4Å; I304-Q332 PolarHBondContact O-N 3.33Å
305N95.4Very high94.4Very high24 Ų2448.7 Ų48.713%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-105.6111.7177.1-174.9-6.9000111.4L274 L275 L276 A277 C307L274-N305 PolarHBondContact O-N 2.91Å; L275-N305 HydrophobicContact CB-CB 4.33Å; L275-N305 HydrophobicContact CD2-CB 3.49Å; L275-N305 VanDerWaalsContact CD2-CB 3.49Å; L276-N305 CarbonylContact C-O 3.48Å; L276-N305 WeakPolarHBondContact CA-O 3.04Å; L276-N305 PolarHBondContact N-O 3.06Å; A277-N305 PolarHBondContact N-O 2.83Å; A277-N305 VanDerWaalsContact N-O 3.11Å; N305-C307 VanDerWaalsContact OD1-CB 3.23Å; N305-C307 WeakPolarHBondContact OD1-CB 3.48Å; N305-C307 PolarHBondContact OD1-N 3.01Å; N305-C307 PolarHBondContact OD1-SG 3.14Å; N305-C307 VanDerWaalsContact OD1-SG 3.39Å
306I97.4Very high94.4Very high1 Ų144.4 Ų44.41%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-131.641.817352.9172.9000109.3L276 A286 L289 I304 N308 V309 F315 V331 Q332L276-I306 HydrophobicContact CB-CG2 3.96Å; A286-I306 HydrophobicContact CB-CD1 3.46Å; A286-I306 VanDerWaalsContact CB-CD1 3.46Å; L289-I306 HydrophobicContact CD1-CG2 3.92Å; I304-I306 HydrophobicContact CG2-CG2 4.36Å; I306-N308 PolarHBondContact O-N 3.42Å; I306-V309 HydrophobicContact CB-CB 4.27Å; I306-V309 HydrophobicContact CB-CG2 3.8Å; I306-V309 HydrophobicContact CD1-CB 4.49Å; I306-V309 WeakPolarHBondContact O-CB 3.34Å; I306-V309 WeakPolarHBondContact O-CG2 3.46Å; I306-V309 PolarHBondContact O-N 3.3Å; I306-F315 HydrophobicContact CD1-CZ 4.4Å; I306-V331 HydrophobicContact CD1-CG1 4.15Å; I306-V331 HydrophobicContact CG1-CG1 4.18Å; I306-Q332 CarbonylContact C-O 3.58Å; I306-Q332 WeakPolarHBondContact CA-O 3.4Å; I306-Q332 WeakPolarHBondContact CG1-O 3.32Å; I306-Q332 PolarHBondContact N-O 2.66Å
307C91.6Very high94.4Very high42 Ų4246.7 Ų46.728%0.28425%0.254SS..EExtended strand (participates in β ladder)trans-59.6-9.8-166.665.60000116.5N305 Q332 E334N305-C307 VanDerWaalsContact OD1-CB 3.23Å; N305-C307 WeakPolarHBondContact OD1-CB 3.48Å; N305-C307 PolarHBondContact OD1-N 3.01Å; N305-C307 PolarHBondContact OD1-SG 3.14Å; N305-C307 VanDerWaalsContact OD1-SG 3.39Å; C307-Q332 HydrophobicContact CB-CB 4.43Å; C307-Q332 PolarHBondContact N-O 3.29Å; C307-E334 WeakPolarHBondContact O-CA 3.35Å; C307-E334 VanDerWaalsContact O-CB 3.32Å; C307-E334 WeakPolarHBondContact O-CB 3.36Å; C307-E334 PolarHBondContact O-N 3.33Å
308N87.7Confident94.8Very high43 Ų4342.3 Ų42.323%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-104.612.6176.368.9-66.2000113.1A277 Y278 N279 I306A277-N308 WeakPolarHBondContact CA-OD1 3.27Å; Y278-N308 WeakPolarHBondContact CA-ND2 3.34Å; Y278-N308 HydrophobicContact CD1-CB 4Å; Y278-N308 HydrophobicContact CE1-CB 4.1Å; Y278-N308 PolarHBondContact N-OD1 2.83Å; N279-N308 PolarHBondContact O-ND2 2.95Å; I306-N308 PolarHBondContact O-N 3.42Å
309V92.7Very high95Very high2 Ų235.7 Ų35.71%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-103.2118.7-179.8-176.90000109.5V281 A286 I306 V311 E334V281-V309 HydrophobicContact CB-CG2 3.96Å; V281-V309 HydrophobicContact CG1-CG2 4.07Å; V281-V309 WeakPolarHBondContact O-CG2 3.19Å; A286-V309 HydrophobicContact CB-CG1 4.26Å; I306-V309 HydrophobicContact CB-CB 4.27Å; I306-V309 HydrophobicContact CB-CG2 3.8Å; I306-V309 HydrophobicContact CD1-CB 4.49Å; I306-V309 WeakPolarHBondContact O-CB 3.34Å; I306-V309 WeakPolarHBondContact O-CG2 3.46Å; I306-V309 PolarHBondContact O-N 3.3Å; V309-V311 HydrophobicContact CG1-CG1 4.24Å; V309-E334 PolarHBondContact O-N 3.04Å
310L92.6Very high94.8Very high96 Ų9640 Ų4050%0.50322%0.215SC..EExtended strand (participates in β ladder)trans-75123.8168-168.272.7000109.4
311V94.3Very high94.8Very high3 Ų342.7 Ų42.72%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-109.9175.2-176.5-580000111.6V283 A286 V309 F315 V316 Y333 G335 V336 G337V283-V311 HydrophobicContact CG2-CB 4.23Å; A286-V311 HydrophobicContact CB-CG1 4.33Å; V309-V311 HydrophobicContact CG1-CG1 4.24Å; V311-F315 HydrophobicContact CB-CB 3.95Å; V311-F315 HydrophobicContact CB-CD1 3.49Å; V311-F315 VanDerWaalsContact CB-CD1 3.49Å; V311-F315 HydrophobicContact CB-CE1 4.1Å; V311-F315 HydrophobicContact CB-CG 3.73Å; V311-F315 HydrophobicContact CG1-CD1 3.66Å; V311-F315 HydrophobicContact CG1-CD2 4.22Å; V311-F315 HydrophobicContact CG1-CE1 3.8Å; V311-F315 HydrophobicContact CG1-CE2 4.35Å; V311-F315 HydrophobicContact CG1-CG 3.88Å; V311-F315 HydrophobicContact CG1-CZ 4.14Å; V311-F315 HydrophobicContact CG2-CD1 3.51Å; V311-F315 HydrophobicContact CG2-CE1 3.99Å; V311-F315 HydrophobicContact CG2-CG 4.25Å; V311-V316 HydrophobicContact CG2-CG2 4.44Å; V311-Y333 HydrophobicContact CG1-CD2 4.37Å; V311-Y333 HydrophobicContact CG1-CG 4.26Å; V311-Y333 HydrophobicContact CG2-CD2 3.5Å; V311-Y333 VanDerWaalsContact CG2-CD2 3.5Å; V311-Y333 HydrophobicContact CG2-CE2 3.72Å; V311-Y333 HydrophobicContact CG2-CG 4.11Å; V311-G335 WeakPolarHBondContact CG2-O 3.44Å; V311-G335 PolarHBondContact N-O 3.47Å; V311-V336 HydrophobicContact CG2-CG2 4.18Å; V311-V336 CarbonylContact O-C 3.44Å; V311-V336 WeakPolarHBondContact O-CA 3.45Å; V311-G337 PolarHBondContact O-N 2.86Å
312N92.9Very high94.7Very high51 Ų5142.3 Ų42.327%0.27322%0.223SC..  trans-122.1175.3177.363.518.9000111.5V283 N314 F315 V316V283-N312 HydrophobicContact CG2-CB 4.47Å; N312-N314 PolarHBondContact O-N 3.31Å; N312-N314 WeakPolarHBondContact OD1-CB 3.46Å; N312-N314 PolarHBondContact OD1-N 3.18Å; N312-F315 WeakPolarHBondContact O-CB 3.24Å; N312-F315 PolarHBondContact O-N 3.25Å; N312-F315 VanDerWaalsContact O-N 3.07Å; N312-F315 PolarHBondContact OD1-N 2.8Å; N312-V316 PolarHBondContact O-N 3.44Å; N312-V316 VanDerWaalsContact O-N 3.14Å
313E91.8Very high94.5Very high96 Ų9640 Ų4045%0.44921%0.214SC..Hα-helixtrans-58.8-31.7179.6-66.6-60.9156.600113.4F315 V316 S317E313-F315 VanDerWaalsContact C-N 3.34Å; E313-F315 PolarHBondContact O-N 3.07Å; E313-V316 PolarHBondContact O-N 2.86Å; E313-S317 WeakPolarHBondContact O-CB 3.37Å; E313-S317 PolarHBondContact O-N 3.09Å; E313-S317 PolarHBondContact O-OG 2.72Å
314N94.4Very high94.2Very high116 Ų11644.2 Ų44.262%0.6223%0.234SC*.Hα-helixtrans-64.7-40.7176.4-66-6.8000111.2N312 L318N312-N314 PolarHBondContact O-N 3.31Å; N312-N314 WeakPolarHBondContact OD1-CB 3.46Å; N312-N314 PolarHBondContact OD1-N 3.18Å; N314-L318 WeakPolarHBondContact O-CB 3.49Å; N314-L318 PolarHBondContact O-N 3.3Å
315F97.2Very high93.8Very high0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-63.7-45.3173.8171.8-86.2000111.5V283 A286 L287 V290 I306 V311 N312 E313 S317 L318 L319 V331 Y333V283-F315 HydrophobicContact CG2-CB 4.04Å; A286-F315 HydrophobicContact CB-CD2 3.75Å; A286-F315 HydrophobicContact CB-CE2 3.5Å; A286-F315 HydrophobicContact CB-CZ 4.37Å; L287-F315 HydrophobicContact CD2-CB 3.89Å; L287-F315 HydrophobicContact CD2-CD2 4.16Å; L287-F315 HydrophobicContact CG-CB 4.36Å; L287-F315 HydrophobicContact CG-CD2 4.31Å; V290-F315 HydrophobicContact CG2-CD2 4.23Å; V290-F315 HydrophobicContact CG2-CE2 3.43Å; V290-F315 VanDerWaalsContact CG2-CE2 3.43Å; V290-F315 HydrophobicContact CG2-CZ 3.87Å; I306-F315 HydrophobicContact CD1-CZ 4.4Å; V311-F315 HydrophobicContact CB-CB 3.95Å; V311-F315 HydrophobicContact CB-CD1 3.49Å; V311-F315 VanDerWaalsContact CB-CD1 3.49Å; V311-F315 HydrophobicContact CB-CE1 4.1Å; V311-F315 HydrophobicContact CB-CG 3.73Å; V311-F315 HydrophobicContact CG1-CD1 3.66Å; V311-F315 HydrophobicContact CG1-CD2 4.22Å; V311-F315 HydrophobicContact CG1-CE1 3.8Å; V311-F315 HydrophobicContact CG1-CE2 4.35Å; V311-F315 HydrophobicContact CG1-CG 3.88Å; V311-F315 HydrophobicContact CG1-CZ 4.14Å; V311-F315 HydrophobicContact CG2-CD1 3.51Å; V311-F315 HydrophobicContact CG2-CE1 3.99Å; V311-F315 HydrophobicContact CG2-CG 4.25Å; N312-F315 WeakPolarHBondContact O-CB 3.24Å; N312-F315 PolarHBondContact O-N 3.25Å; N312-F315 VanDerWaalsContact O-N 3.07Å; N312-F315 PolarHBondContact OD1-N 2.8Å; E313-F315 VanDerWaalsContact C-N 3.34Å; E313-F315 PolarHBondContact O-N 3.07Å; F315-S317 PolarHBondContact O-N 2.77Å; F315-L318 PolarHBondContact O-N 3.21Å; F315-L319 HydrophobicContact CE1-CB 4.45Å; F315-L319 HydrophobicContact CE1-CD2 3.76Å; F315-L319 HydrophobicContact CZ-CD2 4.12Å; F315-L319 VanDerWaalsContact O-CB 3.24Å; F315-L319 WeakPolarHBondContact O-CB 3.46Å; F315-L319 PolarHBondContact O-N 3.21Å; F315-V331 HydrophobicContact CZ-CG1 3.97Å; F315-Y333 AromaticContact CE1-CD1 3.76Å; F315-Y333 HydrophobicContact CE1-CD1 3.76Å; F315-Y333 AromaticContact CE1-CE1 3.92Å; F315-Y333 HydrophobicContact CE1-CE1 3.92Å; F315-Y333 HydrophobicContact CE1-CG 4.21Å; F315-Y333 HydrophobicContact CZ-CD1 4.26Å
316V95.6Very high93.6Very high20 Ų2050.7 Ų50.712%0.12126%0.263CS..Hα-helixtrans-60.5-47.7178.6178.50000110.4V311 N312 E313 L318 L319 E320 V336V311-V316 HydrophobicContact CG2-CG2 4.44Å; N312-V316 PolarHBondContact O-N 3.44Å; N312-V316 VanDerWaalsContact O-N 3.14Å; E313-V316 PolarHBondContact O-N 2.86Å; V316-L318 PolarHBondContact O-N 2.91Å; V316-L319 PolarHBondContact O-N 3.23Å; V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 3.09Å; V316-V336 HydrophobicContact CG2-CG2 3.67Å
317S95.3Very high93Very high59 Ų5952.9 Ų52.941%0.41328%0.277SS..Hα-helixtrans-60.3-43.8177.9-59.70000112.1E313 F315 E320 L321E313-S317 WeakPolarHBondContact O-CB 3.37Å; E313-S317 PolarHBondContact O-N 3.09Å; E313-S317 PolarHBondContact O-OG 2.72Å; F315-S317 PolarHBondContact O-N 2.77Å; S317-E320 PolarHBondContact O-N 3.45Å; S317-L321 WeakPolarHBondContact O-CG 3.44Å; S317-L321 PolarHBondContact O-N 3.26Å; S317-L321 VanDerWaalsContact O-N 3.13Å
318L97.6Very high92.7Very high22 Ų2252.2 Ų52.212%0.11528%0.277CS..Hα-helixtrans-63.3-46176.4177.564.4000111L287 V290 N291 K294 N314 F315 V316 E320 L321 T322L287-L318 HydrophobicContact CD2-CB 4.42Å; L287-L318 HydrophobicContact CD2-CD2 3.67Å; V290-L318 HydrophobicContact CB-CD2 4.04Å; V290-L318 HydrophobicContact CB-CG 4.39Å; V290-L318 HydrophobicContact CG1-CD2 3.91Å; V290-L318 HydrophobicContact CG1-CG 3.71Å; N291-L318 WeakPolarHBondContact OD1-CD2 3.45Å; K294-L318 HydrophobicContact CD-CD1 3.69Å; N314-L318 WeakPolarHBondContact O-CB 3.49Å; N314-L318 PolarHBondContact O-N 3.3Å; F315-L318 PolarHBondContact O-N 3.21Å; V316-L318 PolarHBondContact O-N 2.91Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 3.48Å; L318-T322 PolarHBondContact O-N 3.38Å; L318-T322 PolarHBondContact O-OG1 3.15Å
319L96.3Very high92.9Very high2 Ų250.2 Ų50.21%0.0127%0.266CS..Hα-helixtrans-63.4-38.8-179.8176.459.5000112V290 F315 V316 T322 C323 L329 V331 Y333 R398V290-L319 HydrophobicContact CG1-CB 4.25Å; V290-L319 HydrophobicContact CG1-CD1 4.25Å; V290-L319 HydrophobicContact CG2-CD1 4.18Å; F315-L319 HydrophobicContact CE1-CB 4.45Å; F315-L319 HydrophobicContact CE1-CD2 3.76Å; F315-L319 HydrophobicContact CZ-CD2 4.12Å; F315-L319 VanDerWaalsContact O-CB 3.24Å; F315-L319 WeakPolarHBondContact O-CB 3.46Å; F315-L319 PolarHBondContact O-N 3.21Å; V316-L319 PolarHBondContact O-N 3.23Å; L319-T322 PolarHBondContact O-N 3.1Å; L319-C323 WeakPolarHBondContact O-CB 3.43Å; L319-C323 PolarHBondContact O-N 2.96Å; L319-C323 PolarHBondContact O-SG 3.45Å; L319-L329 HydrophobicContact CD1-CD2 3.93Å; L319-V331 HydrophobicContact CD1-CB 4.11Å; L319-V331 HydrophobicContact CD1-CG2 3.55Å; L319-V331 HydrophobicContact CD2-CB 4.04Å; L319-V331 HydrophobicContact CD2-CG2 4.41Å; L319-Y333 HydrophobicContact CD2-CE1 3.91Å; L319-R398 VanDerWaalsContact CD2-NH1 3.3Å
320E93.8Very high92.9Very high108 Ų10851 Ų5151%0.50527%0.27SS..Hα-helixtrans-61.2-46.5173.1-76.6178.7-179.700111.8V316 S317 L318 C323 Q324V316-E320 WeakPolarHBondContact O-CG 3.46Å; V316-E320 PolarHBondContact O-N 3.09Å; S317-E320 PolarHBondContact O-N 3.45Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.98Å; E320-C323 PolarHBondContact O-N 2.99Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.44Å
321L95.7Very high93Very high80 Ų8046.6 Ų46.642%0.41925%0.248SC..Hα-helixtrans-61.1-46.7175.1-69.8171.4000111.6S317 L318 C323 Q324S317-L321 WeakPolarHBondContact O-CG 3.44Å; S317-L321 PolarHBondContact O-N 3.26Å; S317-L321 VanDerWaalsContact O-N 3.13Å; L318-L321 PolarHBondContact O-N 3.48Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 2.97Å; L321-Q324 WeakPolarHBondContact O-CB 3.22Å; L321-Q324 PolarHBondContact O-N 3.35Å; L321-Q324 VanDerWaalsContact O-N 3.09Å
322T95.8Very high92.9Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-60.1-38.5177.7-57.30000111.5V290 V293 K294 L318 L319 Q324 E325 H326 L329V290-T322 HydrophobicContact CG1-CG2 4.24Å; V290-T322 VanDerWaalsContact CG1-OG1 3.3Å; V290-T322 WeakPolarHBondContact CG1-OG1 3.17Å; V293-T322 HydrophobicContact CB-CG2 4.05Å; V293-T322 HydrophobicContact CG1-CG2 3.82Å; K294-T322 HydrophobicContact CB-CG2 4.01Å; K294-T322 WeakPolarHBondContact CB-OG1 3.4Å; L318-T322 PolarHBondContact O-N 3.38Å; L318-T322 PolarHBondContact O-OG1 3.15Å; L319-T322 PolarHBondContact O-N 3.1Å; T322-Q324 VanDerWaalsContact C-N 3.28Å; T322-Q324 PolarHBondContact O-N 3.08Å; T322-E325 PolarHBondContact O-N 3.3Å; T322-H326 PolarHBondContact O-N 3.3Å; T322-L329 HydrophobicContact CG2-CD2 3.78Å
323C91.6Very high92.9Very high17 Ų1750.5 Ų50.512%0.11526%0.262CS..Hα-helixtrans-70.5-18.3177.7-75.70000114.2L319 E320 L321 E325 H326 P327 R398L319-C323 WeakPolarHBondContact O-CB 3.43Å; L319-C323 PolarHBondContact O-N 2.96Å; L319-C323 PolarHBondContact O-SG 3.45Å; E320-C323 PolarHBondContact O-N 2.99Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 2.97Å; C323-E325 VanDerWaalsContact C-N 3.3Å; C323-H326 CarbonylContact O-C 3.57Å; C323-P327 VanDerWaalsContact O-CA 3.3Å; C323-P327 WeakPolarHBondContact O-CA 3.34Å; C323-R398 PolarHBondContact SG-NH1 3.39Å
324Q90.9Very high92.7Very high147 Ų14752.1 Ų52.169%0.68727%0.27SS*.Hα-helixtrans-67.1-36.1171.1-66.4171.96.100111.1E320 L321 T322E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.44Å; L321-Q324 WeakPolarHBondContact O-CB 3.22Å; L321-Q324 PolarHBondContact O-N 3.35Å; L321-Q324 VanDerWaalsContact O-N 3.09Å; T322-Q324 VanDerWaalsContact C-N 3.28Å; T322-Q324 PolarHBondContact O-N 3.08Å
325E89.9Confident92.2Very high127 Ų12747.8 Ų47.859%0.59325%0.252SS*.Hα-helixtrans-88.2-31177.7-64.3176.8177.600111.9T322 C323 P327T322-E325 PolarHBondContact O-N 3.3Å; C323-E325 VanDerWaalsContact C-N 3.3Å; E325-P327 WeakPolarHBondContact O-CD 3.39Å
326H89.8Confident91.7Very high32 Ų3250.1 Ų50.115%0.14827%0.266CS..  trans-125.276179.6-60-91000112.1V293 T322 C323 G328 L329V293-H326 HydrophobicContact CG1-CB 4.23Å; V293-H326 PolarHBondContact O-NE2 3.4Å; T322-H326 PolarHBondContact O-N 3.3Å; C323-H326 CarbonylContact O-C 3.57Å; H326-G328 PolarHBondContact O-N 2.89Å; H326-G328 VanDerWaalsContact O-N 3.1Å; H326-L329 HydrophobicContact CB-CB 4.28Å; H326-L329 WeakPolarHBondContact O-CB 3.26Å; H326-L329 PolarHBondContact O-N 3.05Å; H326-L329 VanDerWaalsContact O-N 3.08Å
327P85.9Confident90.5Very high48 Ų4850.3 Ų50.331%0.31227%0.272SS..THydrogen-bonded Turntrans-62.5-22.2-174.9-24.834.5000115C323 E325 L329 Q390C323-P327 VanDerWaalsContact O-CA 3.3Å; C323-P327 WeakPolarHBondContact O-CA 3.34Å; E325-P327 WeakPolarHBondContact O-CD 3.39Å; P327-L329 VanDerWaalsContact C-N 3.3Å; P327-Q390 PolarHBondContact O-OE1 3.25Å
328G84.4Confident88.8Confident27 Ų2751.3 Ų51.328%0.27829%0.291SS..THydrogen-bonded Turntrans-76.4-12.4177.600000114.6H326 D330H326-G328 PolarHBondContact O-N 2.89Å; H326-G328 VanDerWaalsContact O-N 3.1Å; G328-D330 PolarHBondContact O-N 2.87Å
329L93.2Very high86.3Confident1 Ų156.7 Ų56.71%0.00531%0.314CS..  trans-70.9115.7-172.4-17968.7000112.5V293 E302 I304 L319 T322 H326 P327 V331 R398V293-L329 HydrophobicContact CB-CD2 4.3Å; V293-L329 HydrophobicContact CG1-CD1 4.28Å; V293-L329 HydrophobicContact CG1-CD2 3.89Å; V293-L329 HydrophobicContact CG2-CD1 4.18Å; V293-L329 HydrophobicContact CG2-CD2 4.48Å; E302-L329 CarbonylContact O-C 3.48Å; I304-L329 HydrophobicContact CD1-CD1 4.32Å; I304-L329 HydrophobicContact CG1-CD1 4.42Å; L319-L329 HydrophobicContact CD1-CD2 3.93Å; T322-L329 HydrophobicContact CG2-CD2 3.78Å; H326-L329 HydrophobicContact CB-CB 4.28Å; H326-L329 WeakPolarHBondContact O-CB 3.26Å; H326-L329 PolarHBondContact O-N 3.05Å; H326-L329 VanDerWaalsContact O-N 3.08Å; P327-L329 VanDerWaalsContact C-N 3.3Å; L329-V331 HydrophobicContact CD1-CG2 4.14Å; L329-V331 HydrophobicContact CD2-CG2 4.02Å; L329-V331 HydrophobicContact CG-CG2 3.88Å; L329-R398 PolarHBondContact O-NH2 3.26Å
330D91.4Very high83.9Confident18 Ų1864.5 Ų64.510%0.09635%0.354CS..EExtended strand (participates in β ladder)trans-98.8122.2168.2-163.434.9000111.5E302 Q303 I304 G328 Q332 R386 R398E302-D330 WeakPolarHBondContact O-CB 3.4Å; E302-D330 PolarHBondContact O-N 2.92Å; Q303-D330 CarbonylContact C-O 3.59Å; Q303-D330 VanDerWaalsContact CA-O 3.31Å; Q303-D330 WeakPolarHBondContact CA-O 3.43Å; Q303-D330 HydrophobicContact CG-CB 4.39Å; I304-D330 PolarHBondContact N-O 3.37Å; G328-D330 PolarHBondContact O-N 2.87Å; D330-Q332 PolarHBondContact OD2-NE2 3.32Å; D330-R386 IonicContact OD1-CZ 3.35Å; D330-R386 IonicContact OD1-NH1 3.19Å; D330-R386 PolarHBondContact OD1-NH1 2.69Å; D330-R386 IonicContact OD1-NH2 3.47Å; D330-R386 PolarHBondContact OD1-NH2 2.81Å; D330-R386 IonicContact OD2-NH1 2.68Å; D330-R386 IonicContact OD2-NH2 2.71Å; D330-R398 IonicContact OD1-NH2 3.84Å
331V95.3Very high81.4Confident5 Ų564.1 Ų64.13%0.0337%0.37CS..EExtended strand (participates in β ladder)trans-123.3115.9172.4-1710000109.3I304 I306 F315 L319 L329 Y333I304-V331 HydrophobicContact CB-CG1 4.26Å; I304-V331 HydrophobicContact CB-CG2 4.25Å; I304-V331 HydrophobicContact CG2-CG1 4.41Å; I304-V331 WeakPolarHBondContact O-CA 3.4Å; I306-V331 HydrophobicContact CD1-CG1 4.15Å; I306-V331 HydrophobicContact CG1-CG1 4.18Å; F315-V331 HydrophobicContact CZ-CG1 3.97Å; L319-V331 HydrophobicContact CD1-CB 4.11Å; L319-V331 HydrophobicContact CD1-CG2 3.55Å; L319-V331 HydrophobicContact CD2-CB 4.04Å; L319-V331 HydrophobicContact CD2-CG2 4.41Å; L329-V331 HydrophobicContact CD1-CG2 4.14Å; L329-V331 HydrophobicContact CD2-CG2 4.02Å; L329-V331 HydrophobicContact CG-CG2 3.88Å; V331-Y333 HydrophobicContact CG1-CD1 4.42Å; V331-Y333 WeakPolarHBondContact O-CD1 3.47Å
332Q91.9Very high78.8Confident70 Ų7067.8 Ų67.833%0.32739%0.385SS..EExtended strand (participates in β ladder)trans-94.7124.6179-60.2176.78.300109.3I304 I306 C307 D330I304-Q332 PolarHBondContact O-N 3.33Å; I306-Q332 CarbonylContact C-O 3.58Å; I306-Q332 WeakPolarHBondContact CA-O 3.4Å; I306-Q332 WeakPolarHBondContact CG1-O 3.32Å; I306-Q332 PolarHBondContact N-O 2.66Å; C307-Q332 HydrophobicContact CB-CB 4.43Å; C307-Q332 PolarHBondContact N-O 3.29Å; D330-Q332 PolarHBondContact OD2-NE2 3.32Å
333Y93.8Very high76.1Confident65 Ų6577.4 Ų77.426%0.25543%0.426SS..EExtended strand (participates in β ladder)trans-142164.5-179.354.7-91.2000110.1V311 F315 L319 V331 V336V311-Y333 HydrophobicContact CG1-CD2 4.37Å; V311-Y333 HydrophobicContact CG1-CG 4.26Å; V311-Y333 HydrophobicContact CG2-CD2 3.5Å; V311-Y333 VanDerWaalsContact CG2-CD2 3.5Å; V311-Y333 HydrophobicContact CG2-CE2 3.72Å; V311-Y333 HydrophobicContact CG2-CG 4.11Å; F315-Y333 AromaticContact CE1-CD1 3.76Å; F315-Y333 HydrophobicContact CE1-CD1 3.76Å; F315-Y333 AromaticContact CE1-CE1 3.92Å; F315-Y333 HydrophobicContact CE1-CE1 3.92Å; F315-Y333 HydrophobicContact CE1-CG 4.21Å; F315-Y333 HydrophobicContact CZ-CD1 4.26Å; L319-Y333 HydrophobicContact CD2-CE1 3.91Å; V331-Y333 HydrophobicContact CG1-CD1 4.42Å; V331-Y333 WeakPolarHBondContact O-CD1 3.47Å; Y333-V336 HydrophobicContact CE2-CG2 4.4Å
334E87.8Confident73.7Confident131 Ų13181 Ų8161%0.61245%0.452SS*.EExtended strand (participates in β ladder)trans-70.6-45-170.9-173-179.9-179.400112.5C307 V309C307-E334 WeakPolarHBondContact O-CA 3.35Å; C307-E334 VanDerWaalsContact O-CB 3.32Å; C307-E334 WeakPolarHBondContact O-CB 3.36Å; C307-E334 PolarHBondContact O-N 3.33Å; V309-E334 PolarHBondContact O-N 3.04Å
335G82.4Confident71.6Confident24 Ų2479.6 Ų79.625%0.24746%0.455CS..EExtended strand (participates in β ladder)trans167.8-179.6-17800000111.7V311V311-G335 WeakPolarHBondContact CG2-O 3.44Å; V311-G335 PolarHBondContact N-O 3.47Å
336V86.8Confident69.7Low50 Ų5082.8 Ų82.830%0.30347%0.467SS..EExtended strand (participates in β ladder)trans-99.3115.1178.3-170.90000109.6V311 V316 Y333V311-V336 HydrophobicContact CG2-CG2 4.18Å; V311-V336 CarbonylContact O-C 3.44Å; V311-V336 WeakPolarHBondContact O-CA 3.45Å; V316-V336 HydrophobicContact CG2-CG2 3.67Å; Y333-V336 HydrophobicContact CE2-CG2 4.4Å
337G71.6Confident68.3Low24 Ų2490.4 Ų90.425%0.24750%0.495CS..  trans-83.7152.2176.800000112.8V311V311-G337 PolarHBondContact O-N 2.86Å
338G59.5Low67.6Low79 Ų7992.8 Ų92.881%0.81450%0.504SS*.  trans128.4-5.1179.600000115.3
339F45.3Very low67.2Low136 Ų13694.3 Ų94.360%0.59651%0.506SS*.  trans-107.2110.6178.1-60.7-83000110.9A341F339-A341 PolarHBondContact O-N 2.87Å; F339-A341 VanDerWaalsContact O-N 3.08Å
340I45Very low66.5Low166 Ų16694.3 Ų94.385%0.85151%0.505SS*.SBendtrans-58.2111.2152.1-62.7171000105Q342I340-Q342 PolarHBondContact O-N 3.45Å
341A41.2Very low65.9Low100 Ų10094.6 Ų94.683%0.82651%0.507SS*.  trans0.168.3171.900000115.8F339 K343F339-A341 PolarHBondContact O-N 2.87Å; F339-A341 VanDerWaalsContact O-N 3.08Å; A341-K343 PolarHBondContact O-N 3Å
342Q42.3Very low65.2Low156 Ų15699.8 Ų99.873%0.72953%0.529SS*.  trans-77.3120.5156.2-87.5-169-3.700104.1I340 S344I340-Q342 PolarHBondContact O-N 3.45Å; Q342-S344 PolarHBondContact O-N 3.43Å
343K38.2Very low64.8Low202 Ų20297.3 Ų97.388%0.87852%0.519SS*.  trans-29.2116.7170.8-131.9176.3-173.6174.20108.1A341 P345A341-K343 PolarHBondContact O-N 3Å; K343-P345 VanDerWaalsContact O-N 3.17Å
344S40.1Very low64.2Low92 Ų9294.4 Ų94.464%0.64351%0.507SS*.  trans-41.4127.5-179.6390000108.7Q342 K346Q342-S344 PolarHBondContact O-N 3.43Å; S344-K346 PolarHBondContact O-N 3.01Å; S344-K346 VanDerWaalsContact O-N 3.07Å
345P47.5Very low63.7Low118 Ų11891.4 Ų91.477%0.76649%0.493SS*.  trans-50.5127.7171.20.2-0.5000105.9K343 R347K343-P345 VanDerWaalsContact O-N 3.17Å; P345-R347 PolarHBondContact O-N 3.22Å
346K51Low63.7Low195 Ų19593.8 Ų93.885%0.84850%0.5SS*.  trans-43.3111.1-175.9-84.4-179.5174.3178.30107.6S344 I348S344-K346 PolarHBondContact O-N 3.01Å; S344-K346 VanDerWaalsContact O-N 3.07Å; K346-I348 VanDerWaalsContact O-CG1 3.29Å; K346-I348 WeakPolarHBondContact O-CG1 3.26Å; K346-I348 PolarHBondContact O-N 3Å
347R60.5Low63.5Low192 Ų19292.9 Ų92.973%0.72549%0.492SS*.  trans-55.4105.9179.5-83.9-174.9176.5178.9-1107.1P345 D349P345-R347 PolarHBondContact O-N 3.22Å; R347-D349 PolarHBondContact O-N 3.36Å
348I70.8Confident64.1Low97 Ų9792.1 Ų92.150%0.49748%0.482SS..  trans-80.3119.6177-51.6-178.5000105.4K346 V353 Q400K346-I348 VanDerWaalsContact O-CG1 3.29Å; K346-I348 WeakPolarHBondContact O-CG1 3.26Å; K346-I348 PolarHBondContact O-N 3Å; I348-V353 HydrophobicContact CB-CG2 4.27Å; I348-V353 HydrophobicContact CG2-CG2 3.57Å; I348-Q400 PolarHBondContact O-NE2 3.39Å
349D74.7Confident65.1Low60 Ų6093.9 Ų93.932%0.32147%0.473SS..  trans-54125.4179.3-168-46.7000109.6R347 M351 K352 V353 R407R347-D349 PolarHBondContact O-N 3.36Å; D349-M351 PolarHBondContact O-N 3.34Å; D349-M351 VanDerWaalsContact O-N 3.16Å; D349-M351 WeakPolarHBondContact OD1-CB 3.3Å; D349-M351 PolarHBondContact OD1-N 3.21Å; D349-K352 HydrophobicContact CB-CB 4.05Å; D349-K352 WeakPolarHBondContact O-CA 3.43Å; D349-K352 WeakPolarHBondContact O-CB 3.46Å; D349-K352 PolarHBondContact O-N 2.91Å; D349-V353 PolarHBondContact O-N 2.97Å; D349-V353 VanDerWaalsContact O-N 3.14Å; D349-R407 IonicContact OD1-NH1 2.84Å; D349-R407 PolarHBondContact OD1-NH1 2.89Å; D349-R407 IonicContact OD2-CZ 3.94Å; D349-R407 IonicContact OD2-NH1 3.43Å; D349-R407 PolarHBondContact OD2-NH1 3.25Å; D349-R407 IonicContact OD2-NH2 3.21Å
350P78.9Confident67.1Low0 Ų096.1 Ų96.10%048%0.482CS..Hα-helixtrans-50.5-37.8176.7-26.132.4000113K352 V353 I354 L396 Q400 E403 L404P350-K352 VanDerWaalsContact C-N 3.3Å; P350-K352 PolarHBondContact O-N 2.82Å; P350-V353 PolarHBondContact O-N 3.33Å; P350-I354 WeakPolarHBondContact O-CG1 3.43Å; P350-I354 PolarHBondContact O-N 3.22Å; P350-I354 VanDerWaalsContact O-N 3.08Å; P350-L396 HydrophobicContact CB-CD2 4.05Å; P350-Q400 HydrophobicContact CB-CB 3.99Å; P350-Q400 WeakPolarHBondContact CB-O 3.36Å; P350-Q400 HydrophobicContact CG-CB 3.78Å; P350-Q400 HydrophobicContact CG-CG 4.1Å; P350-Q400 VanDerWaalsContact CG-O 3.32Å; P350-Q400 WeakPolarHBondContact CG-O 3.49Å; P350-E403 HydrophobicContact CG-CB 4.16Å; P350-E403 HydrophobicContact CG-CG 4.19Å; P350-L404 HydrophobicContact CB-CB 4.14Å
351M80Confident68.9Low25 Ų2595.1 Ų95.112%0.12347%0.468CS..Hα-helixtrans-66.3-33.1177.2-73-57.3-4500112.4D349 I354 Q355 L365 L404 C425D349-M351 PolarHBondContact O-N 3.34Å; D349-M351 VanDerWaalsContact O-N 3.16Å; D349-M351 WeakPolarHBondContact OD1-CB 3.3Å; D349-M351 PolarHBondContact OD1-N 3.21Å; M351-I354 PolarHBondContact O-N 3.15Å; M351-I354 HydrophobicContact SD-CD1 4.19Å; M351-Q355 WeakPolarHBondContact O-CB 3.39Å; M351-Q355 VanDerWaalsContact O-CG 3.25Å; M351-Q355 WeakPolarHBondContact O-CG 3.31Å; M351-Q355 PolarHBondContact O-N 3.43Å; M351-L365 HydrophobicContact CE-CD2 4.32Å; M351-L404 HydrophobicContact CG-CD1 4.09Å; M351-L404 HydrophobicContact SD-CD1 3.54Å; M351-L404 VanDerWaalsContact SD-CD1 3.54Å; M351-C425 WeakPolarHBondContact CE-SG 3.31Å
352K80.1Confident70.8Confident114 Ų11499.7 Ų99.750%0.49647%0.469SS..Hα-helixtrans-70.3-38.7176.2-173.5173-178.61730111.6D349 P350 I354 Q355 D356D349-K352 HydrophobicContact CB-CB 4.05Å; D349-K352 WeakPolarHBondContact O-CA 3.43Å; D349-K352 WeakPolarHBondContact O-CB 3.46Å; D349-K352 PolarHBondContact O-N 2.91Å; P350-K352 VanDerWaalsContact C-N 3.3Å; P350-K352 PolarHBondContact O-N 2.82Å; K352-I354 VanDerWaalsContact C-N 3.33Å; K352-Q355 PolarHBondContact O-N 3.43Å; K352-D356 WeakPolarHBondContact O-CB 3.45Å; K352-D356 VanDerWaalsContact O-CG 3.26Å; K352-D356 PolarHBondContact O-N 3.5Å
353V82.6Confident72.5Confident18 Ų1895.9 Ų95.911%0.10945%0.453CS..Hα-helixtrans-62.8-42.4174.5178.90000111.1I348 D349 P350 Y357 P395 L396I348-V353 HydrophobicContact CB-CG2 4.27Å; I348-V353 HydrophobicContact CG2-CG2 3.57Å; D349-V353 PolarHBondContact O-N 2.97Å; D349-V353 VanDerWaalsContact O-N 3.14Å; P350-V353 PolarHBondContact O-N 3.33Å; V353-Y357 WeakPolarHBondContact O-CB 3.31Å; V353-Y357 PolarHBondContact O-N 3.28Å; V353-Y357 VanDerWaalsContact O-N 3.07Å; V353-P395 HydrophobicContact CG1-CG 4.05Å; V353-P395 WeakPolarHBondContact CG1-O 3.28Å; V353-L396 HydrophobicContact CB-CD2 3.79Å; V353-L396 HydrophobicContact CG1-CD2 3.87Å; V353-L396 HydrophobicContact CG1-CG 4.29Å; V353-L396 HydrophobicContact CG2-CD2 4.47Å
354I81.1Confident74.1Confident4 Ų492 Ų922%0.02143%0.433CS..Hα-helixtrans-60.7-49.6173.9-67.5165000110.3P350 M351 K352 Y357 L358 L365 I394 L396 L404P350-I354 WeakPolarHBondContact O-CG1 3.43Å; P350-I354 PolarHBondContact O-N 3.22Å; P350-I354 VanDerWaalsContact O-N 3.08Å; M351-I354 PolarHBondContact O-N 3.15Å; M351-I354 HydrophobicContact SD-CD1 4.19Å; K352-I354 VanDerWaalsContact C-N 3.33Å; I354-Y357 PolarHBondContact O-N 3.03Å; I354-L358 HydrophobicContact CG2-CD1 3.61Å; I354-L358 HydrophobicContact CG2-CG 4.26Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 WeakPolarHBondContact O-CG 3.33Å; I354-L358 PolarHBondContact O-N 3.04Å; I354-L365 HydrophobicContact CG2-CD1 3.62Å; I354-I394 HydrophobicContact CG1-CD1 4.4Å; I354-I394 HydrophobicContact CG1-CG2 4.05Å; I354-I394 HydrophobicContact CG2-CD1 4.42Å; I354-L396 HydrophobicContact CD1-CD1 3.92Å; I354-L396 HydrophobicContact CG1-CD1 3.73Å; I354-L396 HydrophobicContact CG1-CD2 4.32Å; I354-L396 HydrophobicContact CG1-CG 4.32Å; I354-L404 HydrophobicContact CD1-CD2 3.59Å
355Q77.3Confident75.5Confident68 Ų6888.7 Ų88.732%0.31841%0.408SS..Hα-helixtrans-59.1-51.3179-75.9170.31.700112M351 K352 Y357 L358 D359M351-Q355 WeakPolarHBondContact O-CB 3.39Å; M351-Q355 VanDerWaalsContact O-CG 3.25Å; M351-Q355 WeakPolarHBondContact O-CG 3.31Å; M351-Q355 PolarHBondContact O-N 3.43Å; K352-Q355 PolarHBondContact O-N 3.43Å; Q355-Y357 VanDerWaalsContact C-N 3.26Å; Q355-Y357 PolarHBondContact O-N 3.21Å; Q355-L358 PolarHBondContact O-N 2.89Å; Q355-L358 VanDerWaalsContact O-N 3.13Å; Q355-D359 WeakPolarHBondContact O-CB 3.47Å; Q355-D359 VanDerWaalsContact O-CG 3.28Å; Q355-D359 PolarHBondContact O-N 3.12Å
356D82.6Confident76.4Confident74 Ų7487.7 Ų87.740%0.39639%0.389SS..Hα-helixtrans-59.4-36.7179.8-72.2-15.8000112.1K352 K360K352-D356 WeakPolarHBondContact O-CB 3.45Å; K352-D356 VanDerWaalsContact O-CG 3.26Å; K352-D356 PolarHBondContact O-N 3.5Å; D356-K360 WeakPolarHBondContact O-CB 3.34Å; D356-K360 VanDerWaalsContact O-CG 3.26Å; D356-K360 WeakPolarHBondContact O-CG 3.23Å; D356-K360 PolarHBondContact O-N 3.41Å
357Y84.2Confident77.2Confident30 Ų3080.5 Ų80.512%0.11836%0.36CS..Hα-helixtrans-68.5-45.4176.3172.2-90.4000112.2V353 I354 Q355 R361 S393 I394 P395V353-Y357 WeakPolarHBondContact O-CB 3.31Å; V353-Y357 PolarHBondContact O-N 3.28Å; V353-Y357 VanDerWaalsContact O-N 3.07Å; I354-Y357 PolarHBondContact O-N 3.03Å; Q355-Y357 VanDerWaalsContact C-N 3.26Å; Q355-Y357 PolarHBondContact O-N 3.21Å; Y357-R361 VanDerWaalsContact CE2-NE 3.33Å; Y357-R361 PolarHBondContact O-N 3.02Å; Y357-R361 PolarHBondContact OH-NE 2.89Å; Y357-R361 PolarHBondContact OH-NH1 3.33Å; Y357-S393 WeakPolarHBondContact CE2-O 3.38Å; Y357-S393 WeakPolarHBondContact OH-CB 3.46Å; Y357-I394 HydrophobicContact CD1-CB 4.34Å; Y357-I394 HydrophobicContact CD1-CD1 4.41Å; Y357-I394 HydrophobicContact CD1-CG1 3.6Å; Y357-I394 HydrophobicContact CD1-CG2 4.44Å; Y357-I394 HydrophobicContact CE1-CG1 3.64Å; Y357-I394 HydrophobicContact CG-CB 4.44Å; Y357-I394 HydrophobicContact CG-CG1 4.18Å; Y357-I394 HydrophobicContact CG-CG2 4.29Å; Y357-P395 HydrophobicContact CD2-CG 4.48Å
358L82.9Confident77.7Confident9 Ų972.5 Ų72.55%0.04733%0.33CS..Hα-helixtrans-66.3-44.1-179.7-70.3171.8000111.2I354 Q355 K360 R361 K362 L363 L365I354-L358 HydrophobicContact CG2-CD1 3.61Å; I354-L358 HydrophobicContact CG2-CG 4.26Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 WeakPolarHBondContact O-CG 3.33Å; I354-L358 PolarHBondContact O-N 3.04Å; Q355-L358 PolarHBondContact O-N 2.89Å; Q355-L358 VanDerWaalsContact O-N 3.13Å; L358-K360 PolarHBondContact O-N 3.07Å; L358-R361 CarbonylContact O-C 3.43Å; L358-R361 PolarHBondContact O-N 3.24Å; L358-R361 VanDerWaalsContact O-N 3.09Å; L358-K362 PolarHBondContact O-N 3.16Å; L358-L363 HydrophobicContact CB-CB 4.48Å; L358-L363 HydrophobicContact CD2-CB 3.66Å; L358-L363 HydrophobicContact CD2-CD1 4.37Å; L358-L363 PolarHBondContact O-N 3.31Å; L358-L365 HydrophobicContact CD1-CB 3.92Å; L358-L365 HydrophobicContact CD1-CD1 3.56Å; L358-L365 HydrophobicContact CD1-CG 4.37Å
359D81.4Confident77.7Confident116 Ų11669 Ų6962%0.6231%0.312SS*.Hα-helixtrans-61.2-45.6178.8-73.2-16000111.6Q355 R361 K362Q355-D359 WeakPolarHBondContact O-CB 3.47Å; Q355-D359 VanDerWaalsContact O-CG 3.28Å; Q355-D359 PolarHBondContact O-N 3.12Å; D359-R361 PolarHBondContact O-N 3.46Å; D359-R361 VanDerWaalsContact O-N 3.16Å; D359-K362 PolarHBondContact O-N 3.2Å; D359-K362 VanDerWaalsContact O-N 3.13Å
360K87.1Confident77.4Confident182 Ų18272 Ų7279%0.79132%0.319SS*.Hα-helixtrans-58.5-28.7175.9-80.2176.9-175.7176.80113.2D356 L358D356-K360 WeakPolarHBondContact O-CB 3.34Å; D356-K360 VanDerWaalsContact O-CG 3.26Å; D356-K360 WeakPolarHBondContact O-CG 3.23Å; D356-K360 PolarHBondContact O-N 3.41Å; L358-K360 PolarHBondContact O-N 3.07Å
361R83.3Confident76.8Confident145 Ų14578.1 Ų78.155%0.54735%0.351SS..THydrogen-bonded Turntrans-103.73.9-178.3-65.5-172.4178.3-144.33.6113.5Y357 L358 D359 L363Y357-R361 VanDerWaalsContact CE2-NE 3.33Å; Y357-R361 PolarHBondContact O-N 3.02Å; Y357-R361 PolarHBondContact OH-NE 2.89Å; Y357-R361 PolarHBondContact OH-NH1 3.33Å; L358-R361 CarbonylContact O-C 3.43Å; L358-R361 PolarHBondContact O-N 3.24Å; L358-R361 VanDerWaalsContact O-N 3.09Å; D359-R361 PolarHBondContact O-N 3.46Å; D359-R361 VanDerWaalsContact O-N 3.16Å; R361-L363 HydrophobicContact CB-CD1 3.89Å; R361-L363 HydrophobicContact CB-CG 3.93Å; R361-L363 PolarHBondContact O-N 3.31Å
362K81.1Confident76.5Confident196 Ų19678.3 Ų78.385%0.85235%0.352SS*.THydrogen-bonded Turntrans52.933.7-174.4-54.7-176.4179.5-177.60112.8L358 D359L358-K362 PolarHBondContact O-N 3.16Å; D359-K362 PolarHBondContact O-N 3.2Å; D359-K362 VanDerWaalsContact O-N 3.13Å
363L78.2Confident76.3Confident77 Ų7773.5 Ų73.540%0.40333%0.332SS..  trans-94.8147.3176.1-66.8173.3000109.3L358 R361L358-L363 HydrophobicContact CB-CB 4.48Å; L358-L363 HydrophobicContact CD2-CB 3.66Å; L358-L363 HydrophobicContact CD2-CD1 4.37Å; L358-L363 PolarHBondContact O-N 3.31Å; R361-L363 HydrophobicContact CB-CD1 3.89Å; R361-L363 HydrophobicContact CB-CG 3.93Å; R361-L363 PolarHBondContact O-N 3.31Å
364R71.5Confident75.7Confident119 Ų11981.4 Ų81.445%0.44937%0.365SS..  trans-90.5148.2172.8-59175.5-64.2-177.8-1.6109.7W366 D367R364-W366 PolarHBondContact O-N 3.43Å; R364-W366 VanDerWaalsContact O-N 3.15Å; R364-D367 WeakPolarHBondContact CB-OD2 3.34Å; R364-D367 IonicContact CZ-OD2 3.87Å; R364-D367 PolarHBondContact N-OD2 3.34Å; R364-D367 IonicContact NE-OD1 3.93Å; R364-D367 IonicContact NE-OD2 3.15Å; R364-D367 PolarHBondContact NE-OD2 3.45Å; R364-D367 VanDerWaalsContact NE-OD2 3.15Å; R364-D367 IonicContact NH2-OD1 3.29Å; R364-D367 PolarHBondContact NH2-OD1 3.13Å; R364-D367 IonicContact NH2-OD2 2.87Å; R364-D367 WeakPolarHBondContact O-CB 3.41Å; R364-D367 PolarHBondContact O-N 2.82Å
365L68.9Low75.4Confident23 Ų2388 Ų8812%0.1240%0.4CS..Hα-helixtrans-54.7-33.9173.4-17464.5000111.9M351 I354 L358 D367 F368 F369M351-L365 HydrophobicContact CE-CD2 4.32Å; I354-L365 HydrophobicContact CG2-CD1 3.62Å; L358-L365 HydrophobicContact CD1-CB 3.92Å; L358-L365 HydrophobicContact CD1-CD1 3.56Å; L358-L365 HydrophobicContact CD1-CG 4.37Å; L365-D367 VanDerWaalsContact C-N 3.31Å; L365-D367 PolarHBondContact O-N 3.27Å; L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.86Å; L365-F369 HydrophobicContact CD1-CD2 4.38Å; L365-F369 HydrophobicContact CD1-CE2 3.83Å; L365-F369 HydrophobicContact CD2-CE2 4.19Å; L365-F369 HydrophobicContact CG-CD2 4.06Å; L365-F369 HydrophobicContact CG-CE2 3.73Å; L365-F369 WeakPolarHBondContact O-CD2 3.48Å; L365-F369 PolarHBondContact O-N 2.92Å
366W66.8Low75.2Confident97 Ų9787.3 Ų87.337%0.36741%0.411SS..Hα-helixtrans-61.8-35174.9-167.8-111.5000113.9R364 F368 F369 R370 M378R364-W366 PolarHBondContact O-N 3.43Å; R364-W366 VanDerWaalsContact O-N 3.15Å; W366-F368 VanDerWaalsContact C-N 3.25Å; W366-F368 PolarHBondContact O-N 2.88Å; W366-F369 PolarHBondContact O-N 2.96Å; W366-R370 WeakPolarHBondContact O-CB 3.39Å; W366-R370 PolarHBondContact O-N 2.98Å; W366-M378 HydrophobicContact CH2-CE 4.27Å; W366-M378 HydrophobicContact CH2-SD 3.33Å; W366-M378 WeakPolarHBondContact CH2-SD 3.09Å; W366-M378 HydrophobicContact CZ3-CE 3.79Å; W366-M378 HydrophobicContact CZ3-SD 3.36Å; W366-M378 WeakPolarHBondContact CZ3-SD 3.33Å
367D67.9Low75Confident45 Ų4587.2 Ų87.224%0.24141%0.413CS..Hα-helixtrans-72.7-23.6-179.3-58.3-42000111.4R364 L365 R370R364-D367 WeakPolarHBondContact CB-OD2 3.34Å; R364-D367 IonicContact CZ-OD2 3.87Å; R364-D367 PolarHBondContact N-OD2 3.34Å; R364-D367 IonicContact NE-OD1 3.93Å; R364-D367 IonicContact NE-OD2 3.15Å; R364-D367 PolarHBondContact NE-OD2 3.45Å; R364-D367 VanDerWaalsContact NE-OD2 3.15Å; R364-D367 IonicContact NH2-OD1 3.29Å; R364-D367 PolarHBondContact NH2-OD1 3.13Å; R364-D367 IonicContact NH2-OD2 2.87Å; R364-D367 WeakPolarHBondContact O-CB 3.41Å; R364-D367 PolarHBondContact O-N 2.82Å; L365-D367 VanDerWaalsContact C-N 3.31Å; L365-D367 PolarHBondContact O-N 3.27Å; D367-R370 IonicContact OD1-CZ 3.64Å; D367-R370 IonicContact OD1-NE 2.91Å; D367-R370 IonicContact OD1-NH2 3.79Å; D367-R370 PolarHBondContact OD1-NH2 3.47Å
368F70.3Confident74.5Confident23 Ų2387.9 Ų87.910%0.10142%0.418CS..Hα-helixtrans-70.8-51.8169.9176.8-105.3000111.8L365 W366 R370 N371 I372 V389 I394L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.86Å; W366-F368 VanDerWaalsContact C-N 3.25Å; W366-F368 PolarHBondContact O-N 2.88Å; F368-R370 VanDerWaalsContact C-N 3.33Å; F368-R370 PolarHBondContact O-N 3.26Å; F368-N371 PolarHBondContact O-N 3.41Å; F368-I372 HydrophobicContact CD1-CD1 4.32Å; F368-I372 HydrophobicContact CE1-CD1 3.75Å; F368-I372 HydrophobicContact CE2-CD1 4.26Å; F368-I372 HydrophobicContact CZ-CD1 3.72Å; F368-V389 HydrophobicContact CE1-CG2 4.36Å; F368-V389 HydrophobicContact CZ-CB 4.49Å; F368-V389 HydrophobicContact CZ-CG2 3.82Å; F368-I394 HydrophobicContact CD2-CD1 3.58Å; F368-I394 HydrophobicContact CE1-CD1 4.43Å; F368-I394 HydrophobicContact CE2-CD1 3.34Å; F368-I394 HydrophobicContact CE2-CG1 4.38Å; F368-I394 HydrophobicContact CG-CD1 4.23Å; F368-I394 HydrophobicContact CZ-CD1 3.8Å
369F70.1Confident74.5Confident24 Ų2492 Ų9211%0.10543%0.433CS..Hα-helixtrans-65.3-34.9-178.8-76-71.7000113.1L365 W366 N371 I372 D373 F385 Y418L365-F369 HydrophobicContact CD1-CD2 4.38Å; L365-F369 HydrophobicContact CD1-CE2 3.83Å; L365-F369 HydrophobicContact CD2-CE2 4.19Å; L365-F369 HydrophobicContact CG-CD2 4.06Å; L365-F369 HydrophobicContact CG-CE2 3.73Å; L365-F369 WeakPolarHBondContact O-CD2 3.48Å; L365-F369 PolarHBondContact O-N 2.92Å; W366-F369 PolarHBondContact O-N 2.96Å; F369-N371 PolarHBondContact O-N 2.93Å; F369-I372 PolarHBondContact O-N 3.41Å; F369-D373 PolarHBondContact O-N 2.83Å; F369-F385 AromaticContact CE1-CE2 3.93Å; F369-F385 HydrophobicContact CE1-CE2 3.93Å; F369-Y418 HydrophobicContact CB-CE2 4.23Å; F369-Y418 AromaticContact CD1-CD1 3.9Å; F369-Y418 HydrophobicContact CD1-CD1 3.9Å; F369-Y418 AromaticContact CD1-CD2 3.8Å; F369-Y418 HydrophobicContact CD1-CD2 3.8Å; F369-Y418 AromaticContact CD1-CE1 3.82Å; F369-Y418 HydrophobicContact CD1-CE1 3.82Å; F369-Y418 AromaticContact CD1-CE2 3.68Å; F369-Y418 HydrophobicContact CD1-CE2 3.68Å; F369-Y418 AromaticContact CD1-CG 3.9Å; F369-Y418 HydrophobicContact CD1-CG 3.9Å; F369-Y418 AromaticContact CD1-CZ 3.72Å; F369-Y418 AromaticContact CE1-CD1 3.61Å; F369-Y418 HydrophobicContact CE1-CD1 3.61Å; F369-Y418 AromaticContact CE1-CD2 3.9Å; F369-Y418 HydrophobicContact CE1-CD2 3.9Å; F369-Y418 HydrophobicContact CE1-CE1 4Å; F369-Y418 HydrophobicContact CE1-CE2 4.23Å; F369-Y418 AromaticContact CE1-CG 3.57Å; F369-Y418 HydrophobicContact CE1-CG 3.57Å; F369-Y418 HydrophobicContact CG-CD2 4.18Å; F369-Y418 HydrophobicContact CG-CE2 4.02Å; F369-Y418 HydrophobicContact CZ-CD2 4.37Å; F369-Y418 HydrophobicContact CZ-CG 4.1Å
370R68.5Low74.5Confident124 Ų12486.9 Ų86.947%0.46841%0.406SS..Hα-helixtrans-60.1-30.6177.7-162.7-166.4-48-142.812.1113.7W366 D367 F368 I372W366-R370 WeakPolarHBondContact O-CB 3.39Å; W366-R370 PolarHBondContact O-N 2.98Å; D367-R370 IonicContact OD1-CZ 3.64Å; D367-R370 IonicContact OD1-NE 2.91Å; D367-R370 IonicContact OD1-NH2 3.79Å; D367-R370 PolarHBondContact OD1-NH2 3.47Å; F368-R370 VanDerWaalsContact C-N 3.33Å; F368-R370 PolarHBondContact O-N 3.26Å; R370-I372 PolarHBondContact O-N 2.95Å
371N67.8Low74.4Confident127 Ų12780.3 Ų80.368%0.67938%0.382SS*.Hα-helixtrans-72-21.2176.7-75.6-19000112.7F368 F369F368-N371 PolarHBondContact O-N 3.41Å; F369-N371 PolarHBondContact O-N 2.93Å
372I73.3Confident74.3Confident29 Ų2974.4 Ų74.415%0.14936%0.362CS..Hα-helixtrans-100-44.2-175.7-46.2-176.6000110.2F368 F369 R370 K374 V380 F385 A388F368-I372 HydrophobicContact CD1-CD1 4.32Å; F368-I372 HydrophobicContact CE1-CD1 3.75Å; F368-I372 HydrophobicContact CE2-CD1 4.26Å; F368-I372 HydrophobicContact CZ-CD1 3.72Å; F369-I372 PolarHBondContact O-N 3.41Å; R370-I372 PolarHBondContact O-N 2.95Å; I372-K374 PolarHBondContact O-N 3.33Å; I372-V380 HydrophobicContact CG2-CB 4.36Å; I372-V380 HydrophobicContact CG2-CG1 3.71Å; I372-V380 HydrophobicContact CG2-CG2 4Å; I372-F385 HydrophobicContact CD1-CD2 4.39Å; I372-A388 HydrophobicContact CB-CB 4.24Å; I372-A388 HydrophobicContact CD1-CB 3.48Å; I372-A388 VanDerWaalsContact CD1-CB 3.48Å; I372-A388 HydrophobicContact CG1-CB 3.53Å; I372-A388 HydrophobicContact CG2-CB 3.82Å
373D75.6Confident74.3Confident13 Ų1368.2 Ų68.27%0.0734%0.34CS..  trans-100.979.9179.3177.830.7000110.6F369 D375 G376 T377 M378 V380 Y418F369-D373 PolarHBondContact O-N 2.83Å; D373-D375 PolarHBondContact O-N 3.06Å; D373-G376 PolarHBondContact O-N 3.06Å; D373-G376 PolarHBondContact OD1-N 2.9Å; D373-G376 WeakPolarHBondContact OD2-CA 3.49Å; D373-T377 VanDerWaalsContact CG-N 3.33Å; D373-T377 PolarHBondContact OD1-N 3.37Å; D373-T377 PolarHBondContact OD1-OG1 3.26Å; D373-T377 VanDerWaalsContact OD1-OG1 3.11Å; D373-T377 PolarHBondContact OD2-N 3.21Å; D373-M378 WeakPolarHBondContact OD2-CA 3.29Å; D373-M378 PolarHBondContact OD2-N 3.47Å; D373-V380 HydrophobicContact CB-CG2 3.95Å; D373-Y418 WeakPolarHBondContact CB-OH 3.46Å; D373-Y418 VanDerWaalsContact CG-OH 3.27Å; D373-Y418 PolarHBondContact OD2-OH 3.5Å; D373-Y418 VanDerWaalsContact OD2-OH 3.1Å
374K70.7Confident74.5Confident185 Ų18568 Ų6880%0.80434%0.34SS*.THydrogen-bonded Turntrans-64.1-23.9178.9-64.5-176.6-179.2176.90112.7I372I372-K374 PolarHBondContact O-N 3.33Å
375D74.3Confident75.1Confident142 Ų14262.4 Ų62.476%0.75932%0.319SS*.THydrogen-bonded Turntrans-96.9-4.7-174-57.3-25.4000112.5D373 T377D373-D375 PolarHBondContact O-N 3.06Å; D375-T377 HydrophobicContact CB-CG2 3.84Å; D375-T377 PolarHBondContact O-N 3.13Å
376G72.6Confident75.8Confident53 Ų5362.1 Ų62.155%0.54632%0.316SS..  trans66.622.617800000114.3D373 M378D373-G376 PolarHBondContact O-N 3.06Å; D373-G376 PolarHBondContact OD1-N 2.9Å; D373-G376 WeakPolarHBondContact OD2-CA 3.49Å; G376-M378 VanDerWaalsContact C-N 3.29Å; G376-M378 PolarHBondContact O-N 2.89Å
377T77.9Confident76.6Confident72 Ų7261.6 Ų61.644%0.44232%0.316SS..  trans-79.9-11.5-174.463.50000113.7D373 D375 R379D373-T377 VanDerWaalsContact CG-N 3.33Å; D373-T377 PolarHBondContact OD1-N 3.37Å; D373-T377 PolarHBondContact OD1-OG1 3.26Å; D373-T377 VanDerWaalsContact OD1-OG1 3.11Å; D373-T377 PolarHBondContact OD2-N 3.21Å; D375-T377 HydrophobicContact CB-CG2 3.84Å; D375-T377 PolarHBondContact O-N 3.13Å; T377-R379 PolarHBondContact O-N 3.37Å; T377-R379 PolarHBondContact OG1-N 3.49Å; T377-R379 PolarHBondContact OG1-O 3.41Å; T377-R379 VanDerWaalsContact OG1-O 3.04Å
378M75.4Confident77.2Confident44 Ų4460.6 Ų60.622%0.21731%0.314CS..SBendtrans61.117.9-174.5-58.7-75.3-72.700114.1W366 D373 G376 Y418 R419W366-M378 HydrophobicContact CH2-CE 4.27Å; W366-M378 HydrophobicContact CH2-SD 3.33Å; W366-M378 WeakPolarHBondContact CH2-SD 3.09Å; W366-M378 HydrophobicContact CZ3-CE 3.79Å; W366-M378 HydrophobicContact CZ3-SD 3.36Å; W366-M378 WeakPolarHBondContact CZ3-SD 3.33Å; D373-M378 WeakPolarHBondContact OD2-CA 3.29Å; D373-M378 PolarHBondContact OD2-N 3.47Å; G376-M378 VanDerWaalsContact C-N 3.29Å; G376-M378 PolarHBondContact O-N 2.89Å; M378-Y418 VanDerWaalsContact CA-CE2 3.48Å; M378-Y418 WeakPolarHBondContact CA-OH 3.37Å; M378-Y418 HydrophobicContact CB-CD2 4.37Å; M378-Y418 HydrophobicContact CB-CE2 3.94Å; M378-Y418 HydrophobicContact CE-CD2 3.64Å; M378-Y418 HydrophobicContact CE-CE2 3.84Å; M378-Y418 HydrophobicContact CG-CE2 4.35Å; M378-Y418 HydrophobicContact SD-CD2 3.98Å; M378-Y418 HydrophobicContact SD-CE2 3.5Å; M378-Y418 VanDerWaalsContact SD-CE2 3.5Å; M378-R419 HydrophobicContact CB-CG 3.49Å; M378-R419 VanDerWaalsContact CB-CG 3.49Å; M378-R419 HydrophobicContact CE-CG 4.49Å; M378-R419 HydrophobicContact CG-CG 4.3Å
379R81.4Confident77.7Confident97 Ų9759.6 Ų59.637%0.36631%0.31SS..EExtended strand (participates in β ladder)trans-136.4138.2176.7-61.9-17682-173.1-1109.5T377 V416 D417T377-R379 PolarHBondContact O-N 3.37Å; T377-R379 PolarHBondContact OG1-N 3.49Å; T377-R379 PolarHBondContact OG1-O 3.41Å; T377-R379 VanDerWaalsContact OG1-O 3.04Å; R379-V416 WeakPolarHBondContact CA-O 3.45Å; R379-D417 HydrophobicContact CG-CB 4.41Å; R379-D417 IonicContact NE-OD2 3.24Å
380V82.1Confident78.2Confident7 Ų761.6 Ų61.64%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-140.5140.5180-174.50000109I372 D373 V382 D384 F385 M415 V416 Y418I372-V380 HydrophobicContact CG2-CB 4.36Å; I372-V380 HydrophobicContact CG2-CG1 3.71Å; I372-V380 HydrophobicContact CG2-CG2 4Å; D373-V380 HydrophobicContact CB-CG2 3.95Å; V380-V382 PolarHBondContact O-N 3.34Å; V380-D384 HydrophobicContact CG1-CB 3.75Å; V380-F385 HydrophobicContact CG1-CB 4.35Å; V380-M415 CarbonylContact O-C 3.52Å; V380-V416 PolarHBondContact N-O 3.01Å; V380-V416 PolarHBondContact O-N 2.98Å; V380-Y418 HydrophobicContact CG2-CE1 3.9Å
381P85.1Confident78.7Confident45 Ų4563.1 Ų63.129%0.29233%0.332SS..EExtended strand (participates in β ladder)trans-51.2139.7170-26.935.5000111.8T383 D384 F385 M415P381-T383 PolarHBondContact O-N 3Å; P381-D384 HydrophobicContact CB-CB 4.37Å; P381-D384 PolarHBondContact O-N 3.3Å; P381-F385 PolarHBondContact O-N 3.26Å; P381-M415 HydrophobicContact CB-SD 4.31Å; P381-M415 HydrophobicContact CG-CE 4.4Å; P381-M415 HydrophobicContact CG-SD 3.95Å
382V81.5Confident79.3Confident21 Ų2158.5 Ų58.513%0.12731%0.31CS..Hα-helixtrans-54.5-38.1179.8167.10000111.7V380 D384 R386 I405 D409 G414 V416V380-V382 PolarHBondContact O-N 3.34Å; V382-D384 PolarHBondContact O-N 2.87Å; V382-R386 WeakPolarHBondContact O-CB 3.43Å; V382-R386 PolarHBondContact O-N 3.36Å; V382-I405 HydrophobicContact CG1-CD1 4.19Å; V382-I405 HydrophobicContact CG1-CG2 3.62Å; V382-I405 HydrophobicContact CG2-CG2 4.09Å; V382-D409 HydrophobicContact CG2-CB 4.23Å; V382-G414 WeakPolarHBondContact CG2-O 3.4Å; V382-G414 PolarHBondContact N-O 3.5Å; V382-V416 HydrophobicContact CB-CG2 4.38Å; V382-V416 HydrophobicContact CG2-CG2 3.73Å
383T79.7Confident79.6Confident65 Ų6561 Ų6140%0.39933%0.33SS..Hα-helixtrans-61.3-43.117750.50000112.7P381 K387P381-T383 PolarHBondContact O-N 3Å; T383-K387 WeakPolarHBondContact O-CB 3.33Å; T383-K387 VanDerWaalsContact O-CG 3.29Å; T383-K387 WeakPolarHBondContact O-CG 3.47Å; T383-K387 PolarHBondContact O-N 3.25Å
384D82.8Confident80Confident73 Ų7361 Ų6139%0.3933%0.33SS..Hα-helixtrans-77.3-39.8-176.7-64.1-17.5000110.7V380 P381 V382 R386 K387 A388V380-D384 HydrophobicContact CG1-CB 3.75Å; P381-D384 HydrophobicContact CB-CB 4.37Å; P381-D384 PolarHBondContact O-N 3.3Å; V382-D384 PolarHBondContact O-N 2.87Å; D384-R386 VanDerWaalsContact C-N 3.35Å; D384-K387 PolarHBondContact O-N 3.47Å; D384-A388 VanDerWaalsContact O-CB 3.29Å; D384-A388 WeakPolarHBondContact O-CB 3.14Å; D384-A388 PolarHBondContact O-N 3.13Å
385F84.2Confident80.6Confident1 Ų156.5 Ų56.50%0.00432%0.319CS..Hα-helixtrans-58.8-47.3171.3-178.3-97.9000111.2F369 I372 V380 P381 A388 V389 L404 I405 L408 V416F369-F385 AromaticContact CE1-CE2 3.93Å; F369-F385 HydrophobicContact CE1-CE2 3.93Å; I372-F385 HydrophobicContact CD1-CD2 4.39Å; V380-F385 HydrophobicContact CG1-CB 4.35Å; P381-F385 PolarHBondContact O-N 3.26Å; F385-A388 PolarHBondContact O-N 2.95Å; F385-V389 HydrophobicContact CD1-CG2 4.04Å; F385-V389 HydrophobicContact CD2-CG2 4.4Å; F385-V389 HydrophobicContact CE1-CG2 3.7Å; F385-V389 HydrophobicContact CE2-CG2 4.06Å; F385-V389 HydrophobicContact CG-CG2 4.4Å; F385-V389 HydrophobicContact CZ-CG2 3.7Å; F385-V389 WeakPolarHBondContact O-CG2 3.45Å; F385-V389 PolarHBondContact O-N 3.37Å; F385-L404 HydrophobicContact CE1-CD2 4.11Å; F385-L404 HydrophobicContact CE1-CG 4.35Å; F385-L404 HydrophobicContact CZ-CD2 3.86Å; F385-L404 HydrophobicContact CZ-CG 4.3Å; F385-I405 HydrophobicContact CD1-CD1 4.42Å; F385-I405 HydrophobicContact CD1-CG1 3.79Å; F385-I405 HydrophobicContact CE1-CG1 3.97Å; F385-L408 HydrophobicContact CE1-CD1 4.26Å; F385-L408 HydrophobicContact CE2-CD1 4.38Å; F385-L408 HydrophobicContact CZ-CD1 3.78Å; F385-V416 HydrophobicContact CB-CB 4.22Å; F385-V416 HydrophobicContact CB-CG2 3.77Å; F385-V416 HydrophobicContact CD1-CG1 4.21Å; F385-V416 HydrophobicContact CD1-CG2 3.8Å; F385-V416 HydrophobicContact CD2-CB 4.38Å; F385-V416 HydrophobicContact CD2-CG1 3.88Å; F385-V416 HydrophobicContact CD2-CG2 4.48Å; F385-V416 HydrophobicContact CE1-CG1 4.34Å; F385-V416 HydrophobicContact CE2-CG1 4.05Å; F385-V416 HydrophobicContact CG-CB 4.12Å; F385-V416 HydrophobicContact CG-CG1 3.96Å; F385-V416 HydrophobicContact CG-CG2 3.75Å; F385-V416 HydrophobicContact CZ-CG1 4.26Å
386R84.6Confident80.9Confident17 Ų1750.7 Ų50.76%0.06429%0.288CS..Hα-helixtrans-59.2-50.8177.7-174.8-179.4-64-157.5-3.2111.5D330 V382 D384 A388 V389 Q390 I401 E402 I405D330-R386 IonicContact OD1-CZ 3.35Å; D330-R386 IonicContact OD1-NH1 3.19Å; D330-R386 PolarHBondContact OD1-NH1 2.69Å; D330-R386 IonicContact OD1-NH2 3.47Å; D330-R386 PolarHBondContact OD1-NH2 2.81Å; D330-R386 IonicContact OD2-NH1 2.68Å; D330-R386 IonicContact OD2-NH2 2.71Å; V382-R386 WeakPolarHBondContact O-CB 3.43Å; V382-R386 PolarHBondContact O-N 3.36Å; D384-R386 VanDerWaalsContact C-N 3.35Å; R386-A388 VanDerWaalsContact C-N 3.31Å; R386-A388 PolarHBondContact O-N 2.72Å; R386-V389 PolarHBondContact O-N 3.27Å; R386-Q390 WeakPolarHBondContact O-CB 3.39Å; R386-Q390 VanDerWaalsContact O-CG 3.26Å; R386-Q390 WeakPolarHBondContact O-CG 3.28Å; R386-Q390 PolarHBondContact O-N 2.86Å; R386-I401 HydrophobicContact CG-CG2 4.44Å; R386-E402 IonicContact CZ-OE1 3.08Å; R386-E402 IonicContact CZ-OE2 3.35Å; R386-E402 IonicContact NE-OE1 3.19Å; R386-E402 PolarHBondContact NE-OE1 3.17Å; R386-E402 IonicContact NH1-OE1 2.83Å; R386-E402 PolarHBondContact NH1-OE1 3.15Å; R386-E402 IonicContact NH2-OE1 3.96Å; R386-E402 PolarHBondContact NH2-OE1 3.04Å; R386-E402 IonicContact NH2-OE2 3.31Å; R386-E402 PolarHBondContact NH2-OE2 3.46Å; R386-I405 HydrophobicContact CB-CD1 3.99Å; R386-I405 HydrophobicContact CG-CD1 4.22Å
387K81.9Confident81.1Confident86 Ų8650.9 Ų50.937%0.37428%0.281SS..Hα-helixtrans-56.1-46.3176.3-77.7174.4-176.8175.20111.4T383 D384 Q390 Q391T383-K387 WeakPolarHBondContact O-CB 3.33Å; T383-K387 VanDerWaalsContact O-CG 3.29Å; T383-K387 WeakPolarHBondContact O-CG 3.47Å; T383-K387 PolarHBondContact O-N 3.25Å; D384-K387 PolarHBondContact O-N 3.47Å; K387-Q390 PolarHBondContact O-N 3.25Å; K387-Q391 WeakPolarHBondContact O-CB 3.46Å; K387-Q391 VanDerWaalsContact O-CG 3.23Å; K387-Q391 WeakPolarHBondContact O-CG 3.3Å; K387-Q391 PolarHBondContact O-N 3.39Å
388A81.8Confident80.7Confident24 Ų2449.4 Ų49.420%0.19827%0.268CS..Hα-helixtrans-67.9-39.9-177.600000113.4I372 D384 F385 R386 Q391 S392I372-A388 HydrophobicContact CB-CB 4.24Å; I372-A388 HydrophobicContact CD1-CB 3.48Å; I372-A388 VanDerWaalsContact CD1-CB 3.48Å; I372-A388 HydrophobicContact CG1-CB 3.53Å; I372-A388 HydrophobicContact CG2-CB 3.82Å; D384-A388 VanDerWaalsContact O-CB 3.29Å; D384-A388 WeakPolarHBondContact O-CB 3.14Å; D384-A388 PolarHBondContact O-N 3.13Å; F385-A388 PolarHBondContact O-N 2.95Å; R386-A388 VanDerWaalsContact C-N 3.31Å; R386-A388 PolarHBondContact O-N 2.72Å; A388-Q391 PolarHBondContact O-N 3.39Å; A388-S392 WeakPolarHBondContact O-CB 3.5Å; A388-S392 PolarHBondContact O-N 3.03Å
389V81.5Confident80.6Confident3 Ų352.9 Ų52.92%0.01828%0.282CS..Hα-helixtrans-64.6-42.5174.7178.50000110.3F368 F385 R386 S392 L396 I401F368-V389 HydrophobicContact CE1-CG2 4.36Å; F368-V389 HydrophobicContact CZ-CB 4.49Å; F368-V389 HydrophobicContact CZ-CG2 3.82Å; F385-V389 HydrophobicContact CD1-CG2 4.04Å; F385-V389 HydrophobicContact CD2-CG2 4.4Å; F385-V389 HydrophobicContact CE1-CG2 3.7Å; F385-V389 HydrophobicContact CE2-CG2 4.06Å; F385-V389 HydrophobicContact CG-CG2 4.4Å; F385-V389 HydrophobicContact CZ-CG2 3.7Å; F385-V389 WeakPolarHBondContact O-CG2 3.45Å; F385-V389 PolarHBondContact O-N 3.37Å; R386-V389 PolarHBondContact O-N 3.27Å; V389-S392 WeakPolarHBondContact O-CB 3.21Å; V389-S392 PolarHBondContact O-N 3.39Å; V389-S392 PolarHBondContact O-OG 2.68Å; V389-L396 HydrophobicContact CG1-CD1 3.58Å; V389-I401 HydrophobicContact CG1-CD1 3.9Å; V389-I401 HydrophobicContact CG1-CG1 3.78Å; V389-I401 HydrophobicContact CG1-CG2 4.37Å
390Q80Confident80.4Confident66 Ų6649.4 Ų49.431%0.30827%0.27SS..Hα-helixtrans-66.9-34.6177.8-72.8172.5-20.100113.5P327 R386 K387 S392 I401P327-Q390 PolarHBondContact O-OE1 3.25Å; R386-Q390 WeakPolarHBondContact O-CB 3.39Å; R386-Q390 VanDerWaalsContact O-CG 3.26Å; R386-Q390 WeakPolarHBondContact O-CG 3.28Å; R386-Q390 PolarHBondContact O-N 2.86Å; K387-Q390 PolarHBondContact O-N 3.25Å; Q390-S392 VanDerWaalsContact C-N 3.3Å; Q390-I401 HydrophobicContact CG-CD1 3.95Å
391Q79Confident80.4Confident156 Ų15649.5 Ų49.573%0.72927%0.27SS*.Hα-helixtrans-80-13.8176.6-72174.4-4.900112.9K387 A388K387-Q391 WeakPolarHBondContact O-CB 3.46Å; K387-Q391 VanDerWaalsContact O-CG 3.23Å; K387-Q391 WeakPolarHBondContact O-CG 3.3Å; K387-Q391 PolarHBondContact O-N 3.39Å; A388-Q391 PolarHBondContact O-N 3.39Å
392S79.6Confident80.1Confident29 Ų2949.5 Ų49.520%0.20327%0.266CS..SBendtrans-75.1153.5175.282.50000111.1A388 V389 Q390 I394A388-S392 WeakPolarHBondContact O-CB 3.5Å; A388-S392 PolarHBondContact O-N 3.03Å; V389-S392 WeakPolarHBondContact O-CB 3.21Å; V389-S392 PolarHBondContact O-N 3.39Å; V389-S392 PolarHBondContact O-OG 2.68Å; Q390-S392 VanDerWaalsContact C-N 3.3Å; S392-I394 PolarHBondContact O-N 3.23Å; S392-I394 VanDerWaalsContact O-N 3.16Å; S392-I394 WeakPolarHBondContact OG-CB 3.32Å; S392-I394 VanDerWaalsContact OG-CG1 3.3Å; S392-I394 WeakPolarHBondContact OG-CG1 3.44Å; S392-I394 PolarHBondContact OG-N 2.78Å
393S80.6Confident79.9Confident83 Ų8350.4 Ų50.458%0.5827%0.269SS*.SBendtrans-79.715.2173.4-31.20000113.4Y357Y357-S393 WeakPolarHBondContact CE2-O 3.38Å; Y357-S393 WeakPolarHBondContact OH-CB 3.46Å
394I84Confident80Confident12 Ų1247.4 Ų47.46%0.06225%0.25CS..  trans-72.5127.2177.6-55.2178.5000108.2I354 Y357 F368 S392 L396I354-I394 HydrophobicContact CG1-CD1 4.4Å; I354-I394 HydrophobicContact CG1-CG2 4.05Å; I354-I394 HydrophobicContact CG2-CD1 4.42Å; Y357-I394 HydrophobicContact CD1-CB 4.34Å; Y357-I394 HydrophobicContact CD1-CD1 4.41Å; Y357-I394 HydrophobicContact CD1-CG1 3.6Å; Y357-I394 HydrophobicContact CD1-CG2 4.44Å; Y357-I394 HydrophobicContact CE1-CG1 3.64Å; Y357-I394 HydrophobicContact CG-CB 4.44Å; Y357-I394 HydrophobicContact CG-CG1 4.18Å; Y357-I394 HydrophobicContact CG-CG2 4.29Å; F368-I394 HydrophobicContact CD2-CD1 3.58Å; F368-I394 HydrophobicContact CE1-CD1 4.43Å; F368-I394 HydrophobicContact CE2-CD1 3.34Å; F368-I394 HydrophobicContact CE2-CG1 4.38Å; F368-I394 HydrophobicContact CG-CD1 4.23Å; F368-I394 HydrophobicContact CZ-CD1 3.8Å; S392-I394 PolarHBondContact O-N 3.23Å; S392-I394 VanDerWaalsContact O-N 3.16Å; S392-I394 WeakPolarHBondContact OG-CB 3.32Å; S392-I394 VanDerWaalsContact OG-CG1 3.3Å; S392-I394 WeakPolarHBondContact OG-CG1 3.44Å; S392-I394 PolarHBondContact OG-N 2.78Å; I394-L396 HydrophobicContact CG2-CD1 3.97Å; I394-L396 HydrophobicContact CG2-CG 3.81Å; I394-L396 PolarHBondContact O-N 3.49Å
395P83.2Confident79.8Confident90 Ų9044.5 Ų44.558%0.58424%0.235SC*.  trans-80.857.9-17535-37.6000111.9V353 Y357V353-P395 HydrophobicContact CG1-CG 4.05Å; V353-P395 WeakPolarHBondContact CG1-O 3.28Å; Y357-P395 HydrophobicContact CD2-CG 4.48Å
396L80.1Confident79.5Confident21 Ų2149.6 Ų49.611%0.1126%0.258CS..  trans-88.9131.8172.9-72.8166.6000110.2P350 V353 I354 V389 I394 Q400 I401P350-L396 HydrophobicContact CB-CD2 4.05Å; V353-L396 HydrophobicContact CB-CD2 3.79Å; V353-L396 HydrophobicContact CG1-CD2 3.87Å; V353-L396 HydrophobicContact CG1-CG 4.29Å; V353-L396 HydrophobicContact CG2-CD2 4.47Å; I354-L396 HydrophobicContact CD1-CD1 3.92Å; I354-L396 HydrophobicContact CG1-CD1 3.73Å; I354-L396 HydrophobicContact CG1-CD2 4.32Å; I354-L396 HydrophobicContact CG1-CG 4.32Å; V389-L396 HydrophobicContact CG1-CD1 3.58Å; I394-L396 HydrophobicContact CG2-CD1 3.97Å; I394-L396 HydrophobicContact CG2-CG 3.81Å; I394-L396 PolarHBondContact O-N 3.49Å; L396-Q400 HydrophobicContact CD2-CB 3.89Å; L396-I401 HydrophobicContact CB-CD1 4.33Å; L396-I401 HydrophobicContact CB-CG1 3.83Å; L396-I401 HydrophobicContact CD1-CG1 4.38Å
397S76.6Confident79.1Confident57 Ų5753.2 Ų53.240%0.39927%0.272SS..  trans-71.9157.7167.776.60000110.6F399 Q400 I401S397-F399 PolarHBondContact O-N 3.47Å; S397-Q400 WeakPolarHBondContact O-CA 3.33Å; S397-Q400 WeakPolarHBondContact O-CB 3.38Å; S397-Q400 PolarHBondContact O-N 3.16Å; S397-Q400 WeakPolarHBondContact OG-CG 3.32Å; S397-Q400 PolarHBondContact OG-N 3.31Å; S397-Q400 PolarHBondContact OG-OE1 3.06Å; S397-I401 WeakPolarHBondContact O-CG1 3.46Å; S397-I401 PolarHBondContact O-N 2.95Å
398R70.1Confident78.8Confident41 Ų4150.3 Ų50.316%0.15526%0.26CS..Hα-helixtrans-54.5-41.5177.4-174.6-179.7177.6152.88.2112.6L319 C323 L329 D330 Q400 I401 E402L319-R398 VanDerWaalsContact CD2-NH1 3.3Å; C323-R398 PolarHBondContact SG-NH1 3.39Å; L329-R398 PolarHBondContact O-NH2 3.26Å; D330-R398 IonicContact OD1-NH2 3.84Å; R398-Q400 VanDerWaalsContact C-N 3.27Å; R398-Q400 PolarHBondContact O-N 3.37Å; R398-I401 WeakPolarHBondContact O-CB 3.38Å; R398-I401 PolarHBondContact O-N 3.16Å; R398-I401 VanDerWaalsContact O-N 3.14Å; R398-E402 PolarHBondContact O-N 3.44Å
399F72.9Confident78.6Confident116 Ų11649.8 Ų49.851%0.50925%0.254SS..Hα-helixtrans-57.7-41.9175.5177.6-92.2000111.8S397 I401 E402 E403S397-F399 PolarHBondContact O-N 3.47Å; F399-I401 VanDerWaalsContact C-N 3.34Å; F399-E402 PolarHBondContact O-N 3.05Å; F399-E403 WeakPolarHBondContact CE1-OE2 3.27Å; F399-E403 VanDerWaalsContact O-CB 3.32Å; F399-E403 WeakPolarHBondContact O-CB 3.5Å; F399-E403 PolarHBondContact O-N 3.27Å
400Q77.6Confident77.9Confident25 Ų2558.4 Ų58.412%0.11729%0.286CS..Hα-helixtrans-69.6-32.6178.3-69.1176.3-53.800112.4I348 P350 L396 S397 R398 L404I348-Q400 PolarHBondContact O-NE2 3.39Å; P350-Q400 HydrophobicContact CB-CB 3.99Å; P350-Q400 WeakPolarHBondContact CB-O 3.36Å; P350-Q400 HydrophobicContact CG-CB 3.78Å; P350-Q400 HydrophobicContact CG-CG 4.1Å; P350-Q400 VanDerWaalsContact CG-O 3.32Å; P350-Q400 WeakPolarHBondContact CG-O 3.49Å; L396-Q400 HydrophobicContact CD2-CB 3.89Å; S397-Q400 WeakPolarHBondContact O-CA 3.33Å; S397-Q400 WeakPolarHBondContact O-CB 3.38Å; S397-Q400 PolarHBondContact O-N 3.16Å; S397-Q400 WeakPolarHBondContact OG-CG 3.32Å; S397-Q400 PolarHBondContact OG-N 3.31Å; S397-Q400 PolarHBondContact OG-OE1 3.06Å; R398-Q400 VanDerWaalsContact C-N 3.27Å; R398-Q400 PolarHBondContact O-N 3.37Å; Q400-L404 VanDerWaalsContact O-CB 3.23Å; Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 PolarHBondContact O-N 3.09Å
401I81.9Confident77.4Confident8 Ų858.1 Ų58.14%0.04130%0.301CS..Hα-helixtrans-66.5-46.9174-61.1173.4000110.3R386 V389 Q390 L396 S397 R398 F399 L404 I405R386-I401 HydrophobicContact CG-CG2 4.44Å; V389-I401 HydrophobicContact CG1-CD1 3.9Å; V389-I401 HydrophobicContact CG1-CG1 3.78Å; V389-I401 HydrophobicContact CG1-CG2 4.37Å; Q390-I401 HydrophobicContact CG-CD1 3.95Å; L396-I401 HydrophobicContact CB-CD1 4.33Å; L396-I401 HydrophobicContact CB-CG1 3.83Å; L396-I401 HydrophobicContact CD1-CG1 4.38Å; S397-I401 WeakPolarHBondContact O-CG1 3.46Å; S397-I401 PolarHBondContact O-N 2.95Å; R398-I401 WeakPolarHBondContact O-CB 3.38Å; R398-I401 PolarHBondContact O-N 3.16Å; R398-I401 VanDerWaalsContact O-N 3.14Å; F399-I401 VanDerWaalsContact C-N 3.34Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 PolarHBondContact O-N 3.34Å; I401-I405 HydrophobicContact CG2-CD1 3.89Å; I401-I405 WeakPolarHBondContact O-CG1 3.47Å; I401-I405 PolarHBondContact O-N 3.23Å
402E78.7Confident77Confident46 Ų4660.1 Ų60.122%0.21530%0.302CS..Hα-helixtrans-66.8-39.4177.4-65.1-48.6142.200112.4R386 R398 F399 L404 I405 H406R386-E402 IonicContact CZ-OE1 3.08Å; R386-E402 IonicContact CZ-OE2 3.35Å; R386-E402 IonicContact NE-OE1 3.19Å; R386-E402 PolarHBondContact NE-OE1 3.17Å; R386-E402 IonicContact NH1-OE1 2.83Å; R386-E402 PolarHBondContact NH1-OE1 3.15Å; R386-E402 IonicContact NH2-OE1 3.96Å; R386-E402 PolarHBondContact NH2-OE1 3.04Å; R386-E402 IonicContact NH2-OE2 3.31Å; R386-E402 PolarHBondContact NH2-OE2 3.46Å; R398-E402 PolarHBondContact O-N 3.44Å; F399-E402 PolarHBondContact O-N 3.05Å; E402-L404 VanDerWaalsContact C-N 3.27Å; E402-L404 PolarHBondContact O-N 3.3Å; E402-I405 PolarHBondContact O-N 3.21Å; E402-H406 WeakPolarHBondContact O-CB 3.34Å; E402-H406 PolarHBondContact O-N 3.15Å
403E77.4Confident76.9Confident39 Ų3962.8 Ų62.818%0.18232%0.317CS..Hα-helixtrans-59.6-41.6172.8-177.3176.7-178.200111P350 F399 R407P350-E403 HydrophobicContact CG-CB 4.16Å; P350-E403 HydrophobicContact CG-CG 4.19Å; F399-E403 WeakPolarHBondContact CE1-OE2 3.27Å; F399-E403 VanDerWaalsContact O-CB 3.32Å; F399-E403 WeakPolarHBondContact O-CB 3.5Å; F399-E403 PolarHBondContact O-N 3.27Å; E403-R407 WeakPolarHBondContact O-CB 3.43Å; E403-R407 VanDerWaalsContact O-CG 3.25Å; E403-R407 WeakPolarHBondContact O-CG 3.48Å; E403-R407 PolarHBondContact O-N 3.21Å; E403-R407 IonicContact OE1-CZ 3.75Å; E403-R407 IonicContact OE1-NE 3.72Å; E403-R407 PolarHBondContact OE1-NE 3.28Å; E403-R407 IonicContact OE1-NH2 3.23Å; E403-R407 PolarHBondContact OE1-NH2 2.96Å
404L81.3Confident76.7Confident3 Ų360.8 Ų60.82%0.01631%0.309CS..Hα-helixtrans-66.6-45.2177.2-175.963.9000111.9P350 M351 I354 F385 Q400 I401 E402 H406 R407 L408P350-L404 HydrophobicContact CB-CB 4.14Å; M351-L404 HydrophobicContact CG-CD1 4.09Å; M351-L404 HydrophobicContact SD-CD1 3.54Å; M351-L404 VanDerWaalsContact SD-CD1 3.54Å; I354-L404 HydrophobicContact CD1-CD2 3.59Å; F385-L404 HydrophobicContact CE1-CD2 4.11Å; F385-L404 HydrophobicContact CE1-CG 4.35Å; F385-L404 HydrophobicContact CZ-CD2 3.86Å; F385-L404 HydrophobicContact CZ-CG 4.3Å; Q400-L404 VanDerWaalsContact O-CB 3.23Å; Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 PolarHBondContact O-N 3.09Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 PolarHBondContact O-N 3.34Å; E402-L404 VanDerWaalsContact C-N 3.27Å; E402-L404 PolarHBondContact O-N 3.3Å; L404-H406 PolarHBondContact O-N 2.93Å; L404-R407 PolarHBondContact O-N 3.4Å; L404-L408 HydrophobicContact CD1-CD1 3.83Å; L404-L408 HydrophobicContact CD1-CG 4.2Å; L404-L408 HydrophobicContact CG-CD1 3.8Å; L404-L408 HydrophobicContact CG-CG 4.45Å; L404-L408 WeakPolarHBondContact O-CB 3.46Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.44Å
405I79.5Confident76.6Confident11 Ų1163.6 Ų63.66%0.05632%0.323CS..Hα-helixtrans-59.1-48.4175.9-72.5166.5000110.1V382 F385 R386 I401 E402 R407 L408 D409V382-I405 HydrophobicContact CG1-CD1 4.19Å; V382-I405 HydrophobicContact CG1-CG2 3.62Å; V382-I405 HydrophobicContact CG2-CG2 4.09Å; F385-I405 HydrophobicContact CD1-CD1 4.42Å; F385-I405 HydrophobicContact CD1-CG1 3.79Å; F385-I405 HydrophobicContact CE1-CG1 3.97Å; R386-I405 HydrophobicContact CB-CD1 3.99Å; R386-I405 HydrophobicContact CG-CD1 4.22Å; I401-I405 HydrophobicContact CG2-CD1 3.89Å; I401-I405 WeakPolarHBondContact O-CG1 3.47Å; I401-I405 PolarHBondContact O-N 3.23Å; E402-I405 PolarHBondContact O-N 3.21Å; I405-R407 VanDerWaalsContact C-N 3.25Å; I405-R407 PolarHBondContact O-N 3.1Å; I405-L408 CarbonylContact O-C 3.52Å; I405-L408 PolarHBondContact O-N 2.87Å; I405-L408 VanDerWaalsContact O-N 3.11Å; I405-D409 PolarHBondContact O-N 3.46Å
406H76.8Confident76.4Confident109 Ų10959.3 Ų59.351%0.50530%0.295SS..Hα-helixtrans-62-33.9178.3-172-76.2000112.4E402 L404 R410E402-H406 WeakPolarHBondContact O-CB 3.34Å; E402-H406 PolarHBondContact O-N 3.15Å; L404-H406 PolarHBondContact O-N 2.93Å; H406-R410 WeakPolarHBondContact O-CA 3.38Å; H406-R410 PolarHBondContact O-N 3.07Å
407R76.4Confident76.2Confident93 Ų9359.6 Ų59.635%0.35130%0.297SS..Hα-helixtrans-71-33.6175.3-76.5177.2-175.2-1585.9112.8D349 E403 L404 I405 R410D349-R407 IonicContact OD1-NH1 2.84Å; D349-R407 PolarHBondContact OD1-NH1 2.89Å; D349-R407 IonicContact OD2-CZ 3.94Å; D349-R407 IonicContact OD2-NH1 3.43Å; D349-R407 PolarHBondContact OD2-NH1 3.25Å; D349-R407 IonicContact OD2-NH2 3.21Å; E403-R407 WeakPolarHBondContact O-CB 3.43Å; E403-R407 VanDerWaalsContact O-CG 3.25Å; E403-R407 WeakPolarHBondContact O-CG 3.48Å; E403-R407 PolarHBondContact O-N 3.21Å; E403-R407 IonicContact OE1-CZ 3.75Å; E403-R407 IonicContact OE1-NE 3.72Å; E403-R407 PolarHBondContact OE1-NE 3.28Å; E403-R407 IonicContact OE1-NH2 3.23Å; E403-R407 PolarHBondContact OE1-NH2 2.96Å; L404-R407 PolarHBondContact O-N 3.4Å; I405-R407 VanDerWaalsContact C-N 3.25Å; I405-R407 PolarHBondContact O-N 3.1Å; R407-R410 WeakPolarHBondContact O-CG 3.42Å
408L76.1Confident76Confident24 Ų2458.1 Ų58.113%0.12628%0.283CS..Hα-helixtrans-94.1-19.2-176-64.4175.2000113.6F385 L404 I405 V416 D417F385-L408 HydrophobicContact CE1-CD1 4.26Å; F385-L408 HydrophobicContact CE2-CD1 4.38Å; F385-L408 HydrophobicContact CZ-CD1 3.78Å; L404-L408 HydrophobicContact CD1-CD1 3.83Å; L404-L408 HydrophobicContact CD1-CG 4.2Å; L404-L408 HydrophobicContact CG-CD1 3.8Å; L404-L408 HydrophobicContact CG-CG 4.45Å; L404-L408 WeakPolarHBondContact O-CB 3.46Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.44Å; I405-L408 CarbonylContact O-C 3.52Å; I405-L408 PolarHBondContact O-N 2.87Å; I405-L408 VanDerWaalsContact O-N 3.11Å; L408-V416 HydrophobicContact CB-CB 4.5Å; L408-V416 HydrophobicContact CB-CG1 3.51Å; L408-V416 HydrophobicContact CD1-CG1 3.6Å; L408-V416 HydrophobicContact CG-CG1 4.18Å; L408-D417 PolarHBondContact O-N 2.92Å; L408-D417 VanDerWaalsContact O-N 3.11Å
409D78.5Confident75.8Confident14 Ų1462.9 Ų62.98%0.07530%0.301CS..  trans-120.954.9171.2-172.520.8000110.2V382 I405 G411 R412 T413 G414 M415V382-D409 HydrophobicContact CG2-CB 4.23Å; I405-D409 PolarHBondContact O-N 3.46Å; D409-G411 PolarHBondContact O-N 2.93Å; D409-R412 PolarHBondContact O-N 3.14Å; D409-R412 PolarHBondContact OD1-N 3Å; D409-R412 WeakPolarHBondContact OD2-CA 3.31Å; D409-T413 VanDerWaalsContact CG-N 3.3Å; D409-T413 WeakPolarHBondContact OD1-CB 3.41Å; D409-T413 PolarHBondContact OD1-N 3.34Å; D409-T413 PolarHBondContact OD1-OG1 3.1Å; D409-T413 PolarHBondContact OD2-N 3.07Å; D409-T413 VanDerWaalsContact OD2-N 3.08Å; D409-G414 PolarHBondContact OD2-N 3.21Å; D409-M415 WeakPolarHBondContact CB-O 3.41Å
410R66.8Low74.6Confident183 Ų18364.8 Ų64.869%0.69131%0.313SS*.THydrogen-bonded Turntrans-55.6-27.1179.4-75.5-177.1-177.4-165-1.5113.2H406 R407 R412H406-R410 WeakPolarHBondContact O-CA 3.38Å; H406-R410 PolarHBondContact O-N 3.07Å; R407-R410 WeakPolarHBondContact O-CG 3.42Å; R410-R412 VanDerWaalsContact C-N 3.35Å
411G68.6Low73.2Confident60 Ų6064.7 Ų64.762%0.61932%0.319SS*.THydrogen-bonded Turntrans-85.2-2.2178.600000114.5D409 T413D409-G411 PolarHBondContact O-N 2.93Å; G411-T413 PolarHBondContact O-N 3.47Å
412R71.3Confident71.2Confident199 Ų19969.9 Ų69.975%0.75135%0.347SS*.  trans50.140.4-173.2-58.5-176.1-179.9-174-1.1112.5D409 R410 G414D409-R412 PolarHBondContact O-N 3.14Å; D409-R412 PolarHBondContact OD1-N 3Å; D409-R412 WeakPolarHBondContact OD2-CA 3.31Å; R410-R412 VanDerWaalsContact C-N 3.35Å; R412-G414 PolarHBondContact O-N 3.3Å
413T77Confident69.4Low85 Ų8575.5 Ų75.552%0.52137%0.373SS..  trans-76.8-7.6-178.465.30000112.5D409 G411 M415D409-T413 VanDerWaalsContact CG-N 3.3Å; D409-T413 WeakPolarHBondContact OD1-CB 3.41Å; D409-T413 PolarHBondContact OD1-N 3.34Å; D409-T413 PolarHBondContact OD1-OG1 3.1Å; D409-T413 PolarHBondContact OD2-N 3.07Å; D409-T413 VanDerWaalsContact OD2-N 3.08Å; G411-T413 PolarHBondContact O-N 3.47Å; T413-M415 PolarHBondContact O-N 2.91Å; T413-M415 PolarHBondContact OG1-N 3.13Å; T413-M415 PolarHBondContact OG1-O 3.15Å
414G76.9Confident67.7Low40 Ų4081.7 Ų81.741%0.41240%0.401SS..SBendtrans76.55-172.900000112.8V382 D409 R412V382-G414 WeakPolarHBondContact CG2-O 3.4Å; V382-G414 PolarHBondContact N-O 3.5Å; D409-G414 PolarHBondContact OD2-N 3.21Å; R412-G414 PolarHBondContact O-N 3.3Å
415M80.6Confident65.8Low71 Ų7183 Ų8335%0.3541%0.411SS..EExtended strand (participates in β ladder)trans-125.6124.1-179.3-68.3-72.6-157.600109.6V380 P381 D409 T413 D417V380-M415 CarbonylContact O-C 3.52Å; P381-M415 HydrophobicContact CB-SD 4.31Å; P381-M415 HydrophobicContact CG-CE 4.4Å; P381-M415 HydrophobicContact CG-SD 3.95Å; D409-M415 WeakPolarHBondContact CB-O 3.41Å; T413-M415 PolarHBondContact O-N 2.91Å; T413-M415 PolarHBondContact OG1-N 3.13Å; T413-M415 PolarHBondContact OG1-O 3.15Å; M415-D417 PolarHBondContact O-N 2.81Å
416V78.7Confident63.9Low0 Ų084.9 Ų84.90%042%0.422CS..EExtended strand (participates in β ladder)trans-75.2118169.7177.70000107.9R379 V380 V382 F385 L408 Y418R379-V416 WeakPolarHBondContact CA-O 3.45Å; V380-V416 PolarHBondContact N-O 3.01Å; V380-V416 PolarHBondContact O-N 2.98Å; V382-V416 HydrophobicContact CB-CG2 4.38Å; V382-V416 HydrophobicContact CG2-CG2 3.73Å; F385-V416 HydrophobicContact CB-CB 4.22Å; F385-V416 HydrophobicContact CB-CG2 3.77Å; F385-V416 HydrophobicContact CD1-CG1 4.21Å; F385-V416 HydrophobicContact CD1-CG2 3.8Å; F385-V416 HydrophobicContact CD2-CB 4.38Å; F385-V416 HydrophobicContact CD2-CG1 3.88Å; F385-V416 HydrophobicContact CD2-CG2 4.48Å; F385-V416 HydrophobicContact CE1-CG1 4.34Å; F385-V416 HydrophobicContact CE2-CG1 4.05Å; F385-V416 HydrophobicContact CG-CB 4.12Å; F385-V416 HydrophobicContact CG-CG1 3.96Å; F385-V416 HydrophobicContact CG-CG2 3.75Å; F385-V416 HydrophobicContact CZ-CG1 4.26Å; L408-V416 HydrophobicContact CB-CB 4.5Å; L408-V416 HydrophobicContact CB-CG1 3.51Å; L408-V416 HydrophobicContact CD1-CG1 3.6Å; L408-V416 HydrophobicContact CG-CG1 4.18Å; V416-Y418 HydrophobicContact CG1-CD1 4.05Å
417D76.9Confident62.1Low27 Ų2784.6 Ų84.614%0.14443%0.429CS..EExtended strand (participates in β ladder)trans-113.7105.9176.6-170.6-17.4000109.9R379 L408 M415 R419R379-D417 HydrophobicContact CG-CB 4.41Å; R379-D417 IonicContact NE-OD2 3.24Å; L408-D417 PolarHBondContact O-N 2.92Å; L408-D417 VanDerWaalsContact O-N 3.11Å; M415-D417 PolarHBondContact O-N 2.81Å; D417-R419 VanDerWaalsContact C-N 3.35Å; D417-R419 WeakPolarHBondContact OD1-CB 3.11Å; D417-R419 VanDerWaalsContact OD1-CG 3.27Å; D417-R419 WeakPolarHBondContact OD1-CG 3.44Å; D417-R419 IonicContact OD1-CZ 3.89Å; D417-R419 PolarHBondContact OD1-N 2.66Å; D417-R419 IonicContact OD1-NE 2.7Å; D417-R419 PolarHBondContact OD1-NE 2.96Å; D417-R419 IonicContact OD1-NH2 3.4Å; D417-R419 IonicContact OD2-CZ 3.59Å; D417-R419 IonicContact OD2-NE 2.8Å; D417-R419 PolarHBondContact OD2-NE 3.28Å; D417-R419 IonicContact OD2-NH2 3.95Å; D417-R419 PolarHBondContact OD2-NH2 3.34Å
418Y72.7Confident60.3Low26 Ų2683 Ų8310%0.10244%0.435CS..THydrogen-bonded Turntrans-9615.2-179.942.6-87.6000113F369 D373 M378 V380 V416 M420F369-Y418 HydrophobicContact CB-CE2 4.23Å; F369-Y418 AromaticContact CD1-CD1 3.9Å; F369-Y418 HydrophobicContact CD1-CD1 3.9Å; F369-Y418 AromaticContact CD1-CD2 3.8Å; F369-Y418 HydrophobicContact CD1-CD2 3.8Å; F369-Y418 AromaticContact CD1-CE1 3.82Å; F369-Y418 HydrophobicContact CD1-CE1 3.82Å; F369-Y418 AromaticContact CD1-CE2 3.68Å; F369-Y418 HydrophobicContact CD1-CE2 3.68Å; F369-Y418 AromaticContact CD1-CG 3.9Å; F369-Y418 HydrophobicContact CD1-CG 3.9Å; F369-Y418 AromaticContact CD1-CZ 3.72Å; F369-Y418 AromaticContact CE1-CD1 3.61Å; F369-Y418 HydrophobicContact CE1-CD1 3.61Å; F369-Y418 AromaticContact CE1-CD2 3.9Å; F369-Y418 HydrophobicContact CE1-CD2 3.9Å; F369-Y418 HydrophobicContact CE1-CE1 4Å; F369-Y418 HydrophobicContact CE1-CE2 4.23Å; F369-Y418 AromaticContact CE1-CG 3.57Å; F369-Y418 HydrophobicContact CE1-CG 3.57Å; F369-Y418 HydrophobicContact CG-CD2 4.18Å; F369-Y418 HydrophobicContact CG-CE2 4.02Å; F369-Y418 HydrophobicContact CZ-CD2 4.37Å; F369-Y418 HydrophobicContact CZ-CG 4.1Å; D373-Y418 WeakPolarHBondContact CB-OH 3.46Å; D373-Y418 VanDerWaalsContact CG-OH 3.27Å; D373-Y418 PolarHBondContact OD2-OH 3.5Å; D373-Y418 VanDerWaalsContact OD2-OH 3.1Å; M378-Y418 VanDerWaalsContact CA-CE2 3.48Å; M378-Y418 WeakPolarHBondContact CA-OH 3.37Å; M378-Y418 HydrophobicContact CB-CD2 4.37Å; M378-Y418 HydrophobicContact CB-CE2 3.94Å; M378-Y418 HydrophobicContact CE-CD2 3.64Å; M378-Y418 HydrophobicContact CE-CE2 3.84Å; M378-Y418 HydrophobicContact CG-CE2 4.35Å; M378-Y418 HydrophobicContact SD-CD2 3.98Å; M378-Y418 HydrophobicContact SD-CE2 3.5Å; M378-Y418 VanDerWaalsContact SD-CE2 3.5Å; V380-Y418 HydrophobicContact CG2-CE1 3.9Å; V416-Y418 HydrophobicContact CG1-CD1 4.05Å; Y418-M420 VanDerWaalsContact C-N 3.32Å
419R66.3Low58.5Low141 Ų14185 Ų8553%0.53245%0.45SS..THydrogen-bonded Turntrans-73.9-25.5166.5-58.5174.8-70.51807.6112.4M378 D417M378-R419 HydrophobicContact CB-CG 3.49Å; M378-R419 VanDerWaalsContact CB-CG 3.49Å; M378-R419 HydrophobicContact CE-CG 4.49Å; M378-R419 HydrophobicContact CG-CG 4.3Å; D417-R419 VanDerWaalsContact C-N 3.35Å; D417-R419 WeakPolarHBondContact OD1-CB 3.11Å; D417-R419 VanDerWaalsContact OD1-CG 3.27Å; D417-R419 WeakPolarHBondContact OD1-CG 3.44Å; D417-R419 IonicContact OD1-CZ 3.89Å; D417-R419 PolarHBondContact OD1-N 2.66Å; D417-R419 IonicContact OD1-NE 2.7Å; D417-R419 PolarHBondContact OD1-NE 2.96Å; D417-R419 IonicContact OD1-NH2 3.4Å; D417-R419 IonicContact OD2-CZ 3.59Å; D417-R419 IonicContact OD2-NE 2.8Å; D417-R419 PolarHBondContact OD2-NE 3.28Å; D417-R419 IonicContact OD2-NH2 3.95Å; D417-R419 PolarHBondContact OD2-NH2 3.34Å
420M47.5Very low56.2Low156 Ų15693.9 Ų93.977%0.76848%0.483SS*.  trans-107.114.3-168.6-67.9-82.4-108.900114.1Y418 N422Y418-M420 VanDerWaalsContact C-N 3.32Å; M420-N422 VanDerWaalsContact C-N 3.34Å; M420-N422 PolarHBondContact O-N 2.67Å
421G47.6Very low54.6Low23 Ų2393.4 Ų93.424%0.23749%0.488CS..  trans-67.784.4176.700000112.6E423G421-E423 PolarHBondContact O-N 3.36Å
422N39.8Very low52.9Low118 Ų11898.2 Ų98.263%0.63150%0.499SS*.THydrogen-bonded Turntrans-36.2123.1-177.1-98.1-0.2000115M420 H424M420-N422 VanDerWaalsContact C-N 3.34Å; M420-N422 PolarHBondContact O-N 2.67Å; N422-H424 PolarHBondContact O-N 3.22Å
423E41.4Very low51.9Low164 Ų16493.2 Ų93.277%0.76649%0.486SS*.THydrogen-bonded Turntrans47.2-18154.2-66.6-175.4157.800121.7G421G421-E423 PolarHBondContact O-N 3.36Å
424H41.1Very low50.6Low168 Ų16893.6 Ų93.678%0.77849%0.485SS*.THydrogen-bonded Turntrans-109.2-17.7172.8-75.2-51.4000114N422N422-H424 PolarHBondContact O-N 3.22Å
425C41.8Very low49.2Very low31 Ų3196.6 Ų96.621%0.20949%0.489CS..SBendtrans-84.9-25167.6-82.90000112.9M351 T427 A428M351-C425 WeakPolarHBondContact CE-SG 3.31Å; C425-T427 VanDerWaalsContact C-N 3.34Å; C425-T427 PolarHBondContact O-N 3.02Å; C425-A428 PolarHBondContact O-N 2.8Å
426V40.3Very low47.3Very low50 Ų5098.1 Ų98.130%0.30350%0.497SS..Hα-helixtrans-75.4-21.4-170.9179.30000112.7A428 C429 R430V426-A428 VanDerWaalsContact C-N 3.28Å; V426-A428 PolarHBondContact O-N 3.43Å; V426-C429 PolarHBondContact O-N 3.5Å; V426-R430 HydrophobicContact CG1-CG 3.75Å; V426-R430 WeakPolarHBondContact O-CB 2.83Å; V426-R430 PolarHBondContact O-N 2.65Å; V426-R430 VanDerWaalsContact O-N 3.09Å
427T38.6Very low45.4Very low103 Ų103104.3 Ų104.363%0.63253%0.528SS*.Hα-helixtrans-71.8-24.1176.4-16.30000112.6C425C425-T427 VanDerWaalsContact C-N 3.34Å; C425-T427 PolarHBondContact O-N 3.02Å
428A38.9Very low43.2Very low60 Ų60109.4 Ų109.450%0.49655%0.553SS.*Hα-helixtrans-84.2-25.8174.600000113.1C425 V426C425-A428 PolarHBondContact O-N 2.8Å; V426-A428 VanDerWaalsContact C-N 3.28Å; V426-A428 PolarHBondContact O-N 3.43Å
429C36.7Very low41.1Very low65 Ų65115.4 Ų115.444%0.43959%0.586SS.*Hα-helixtrans-96.3-8-179.8-73.20000114.6V426V426-C429 PolarHBondContact O-N 3.5Å
430R31.6Very low39.2Very low201 Ų201113.4 Ų113.476%0.75859%0.59SS**SBendtrans-94.45.5179.5-83.6-169.9175.8176.4-1.9115.8V426V426-R430 HydrophobicContact CG1-CG 3.75Å; V426-R430 WeakPolarHBondContact O-CB 2.83Å; V426-R430 PolarHBondContact O-N 2.65Å; V426-R430 VanDerWaalsContact O-N 3.09Å
431H32.4Very low38.5Very low173 Ų173109.8 Ų109.880%0.80158%0.575SS**  trans-11833.6173.5-78.3-39.7000114
432L32.2Very low37.7Very low162 Ų162117.7 Ų117.785%0.84861%0.606SS**  trans-118.70164.1-75.1168.8000109.9

Retrieved 432 of 432 residues in 1084.4 ms (Link to these results)

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