A0A096NNG7_PAPAN Loading...

TM2 domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A096NNG7, Species PAPAN (Papio anubis, Olive baboon), Gene TM2D3, Length 247 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low40.7Very low251 Ų251139.7 Ų139.7100%1.23681%0.812SS**  0105.40-72.8173.4177.600107.7
2A34.8Very low41.1Very low110 Ų110145.3 Ų145.391%0.90981%0.81SS**PPolyproline II helixtrans-93.4122.2-17700000110
3G34.3Very low41.9Very low77 Ų77138.6 Ų138.679%0.79478%0.784SS**PPolyproline II helixtrans-94119.3173.400000110.7
4G32.8Very low42.9Very low78 Ų78134.9 Ų134.980%0.80477%0.766SS**PPolyproline II helixtrans-78130.6-178.400000113.4
5V40.1Very low43.5Very low143 Ų143130.7 Ų130.787%0.86775%0.747SS**PPolyproline II helixtrans-81.9117.7169.8175.40000108.9
6R37.8Very low44.2Very low231 Ų231134 Ų13487%0.87274%0.744SS**PPolyproline II helixtrans-83140.2169.8-80.2-178.8169.9-173.7-2.3110.3
7P41.6Very low44.9Very low115 Ų115131.3 Ų131.375%0.74773%0.731SS**PPolyproline II helixtrans-80.5130.1-17731.6-31.4000111.6R9P7-R9 PolarHBondContact O-N 3.16Å
8L52Low45.7Very low132 Ų132129.9 Ų129.969%0.69172%0.722SS**  trans-69.483.8174.4-120.276.8000110.7G10 L11L8-G10 VanDerWaalsContact C-N 3.32Å; L8-L11 HydrophobicContact CD2-CB 4.14Å; L8-L11 HydrophobicContact CD2-CD1 4.2Å; L8-L11 HydrophobicContact CD2-CD2 4.17Å; L8-L11 HydrophobicContact CD2-CG 4.41Å
9R47.8Very low46.3Very low230 Ų230128.4 Ų128.487%0.86871%0.712SS**Hα-helixtrans-73.6-21.3179.1-139.4173.2-176.7179.5-0.1113.1P7P7-R9 PolarHBondContact O-N 3.16Å
10G43.7Very low46.9Very low51 Ų51128.3 Ų128.353%0.52670%0.704SS.*Hα-helixtrans-76.7-31.1-179.200000114.9L8 R12 A13 V14L8-G10 VanDerWaalsContact C-N 3.32Å; G10-R12 VanDerWaalsContact C-N 3.33Å; G10-R12 PolarHBondContact O-N 3.42Å; G10-A13 PolarHBondContact O-N 3.05Å; G10-V14 PolarHBondContact O-N 2.92Å
11L46.5Very low47.3Very low119 Ų119126.8 Ų126.862%0.62369%0.694SS**Hα-helixtrans-69.8-30.7-175.3-145.575.1000112.7L8 C15L8-L11 HydrophobicContact CD2-CB 4.14Å; L8-L11 HydrophobicContact CD2-CD1 4.2Å; L8-L11 HydrophobicContact CD2-CD2 4.17Å; L8-L11 HydrophobicContact CD2-CG 4.41Å; L11-C15 WeakPolarHBondContact O-CB 3.39Å; L11-C15 PolarHBondContact O-N 2.78Å; L11-C15 VanDerWaalsContact O-N 3.15Å
12R46.5Very low48.3Very low207 Ų207118 Ų11878%0.78166%0.658SS**Hα-helixtrans-71-30.1175.8-81.6-176.2174.8-179-1113.1G10 R16G10-R12 VanDerWaalsContact C-N 3.33Å; G10-R12 PolarHBondContact O-N 3.42Å; R12-R16 WeakPolarHBondContact O-CG 3.29Å; R12-R16 PolarHBondContact O-N 3Å
13A50.7Low49Very low58 Ų58118.6 Ų118.648%0.47964%0.641SS.*Hα-helixtrans-74.6-44.4178.100000111.1G10 C15 R16 V17G10-A13 PolarHBondContact O-N 3.05Å; A13-C15 PolarHBondContact O-N 3.39Å; A13-R16 PolarHBondContact O-N 3.36Å; A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.13Å
14V55.7Low49.9Very low87 Ų87121.6 Ų121.653%0.52763%0.633SS.*Hα-helixtrans-63.3-41.6177.6178.40000111.3G10 R16 V17 L18G10-V14 PolarHBondContact O-N 2.92Å; V14-R16 PolarHBondContact O-N 3.47Å; V14-V17 PolarHBondContact O-N 2.96Å; V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.84Å
15C51.8Low50.6Low72 Ų72122 Ų12249%0.48662%0.622SS.*Hα-helixtrans-66.6-36.1177.9-161.80000112.5L11 A13 L19L11-C15 WeakPolarHBondContact O-CB 3.39Å; L11-C15 PolarHBondContact O-N 2.78Å; L11-C15 VanDerWaalsContact O-N 3.15Å; A13-C15 PolarHBondContact O-N 3.39Å; C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.44Å
16R55.7Low51Low183 Ų183121.7 Ų121.769%0.69161%0.614SS**Hα-helixtrans-67.1-42.3173.1-80-174.4175-162.3-2.2112.1R12 A13 V14 L18 L19 F20R12-R16 WeakPolarHBondContact O-CG 3.29Å; R12-R16 PolarHBondContact O-N 3Å; A13-R16 PolarHBondContact O-N 3.36Å; V14-R16 PolarHBondContact O-N 3.47Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.84Å; R16-L19 PolarHBondContact O-N 2.92Å; R16-F20 VanDerWaalsContact O-CD2 3.25Å; R16-F20 WeakPolarHBondContact O-CD2 3.35Å; R16-F20 PolarHBondContact O-N 3.2Å
17V56.5Low51.2Low88 Ų88117.6 Ų117.653%0.53361%0.609SS.*Hα-helixtrans-63.3-41.4177.6172.90000111.2A13 V14 F20 I21A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.13Å; V14-V17 PolarHBondContact O-N 2.96Å; V17-F20 PolarHBondContact O-N 3.08Å; V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.23Å
18L58.6Low51.2Low106 Ų106117 Ų11756%0.55561%0.607SS**Hα-helixtrans-66.6-37.4175.9-72.1167.9000112.8V14 R16 I21 S22V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.84Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.84Å; L18-I21 PolarHBondContact O-N 3.3Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.01Å
19L57.4Low50.4Low102 Ų102114.2 Ų114.253%0.53461%0.611SS.*Hα-helixtrans-67.1-37.2173.9-73.3170.2000112.2C15 R16 S22 Q23C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.44Å; R16-L19 PolarHBondContact O-N 2.92Å; L19-S22 PolarHBondContact O-N 3Å; L19-Q23 PolarHBondContact O-N 2.88Å
20F58.4Low49.7Very low125 Ų125106.4 Ų106.455%0.54860%0.602SS.*Hα-helixtrans-67.6-41173.7-90.9-76.7000112.2R16 V17 S22 Q23 F24R16-F20 VanDerWaalsContact O-CD2 3.25Å; R16-F20 WeakPolarHBondContact O-CD2 3.35Å; R16-F20 PolarHBondContact O-N 3.2Å; V17-F20 PolarHBondContact O-N 3.08Å; F20-S22 VanDerWaalsContact C-N 3.35Å; F20-Q23 PolarHBondContact O-N 3.48Å; F20-F24 WeakPolarHBondContact O-CD2 3.38Å; F20-F24 PolarHBondContact O-N 2.92Å
21I55.8Low48.9Very low97 Ų97112.7 Ų112.750%0.49762%0.617SS.*Hα-helixtrans-64.2-41175.4-67.1167000110.6V17 L18 Q23 F24 C25V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.23Å; L18-I21 PolarHBondContact O-N 3.3Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 2.92Å; I21-F24 PolarHBondContact O-N 3.48Å; I21-C25 PolarHBondContact O-N 3.41Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.37Å
22S56.1Low47.9Very low68 Ų68114.8 Ų114.848%0.47662%0.624SS.*Hα-helixtrans-62.8-37.8174.21800000112.7L18 L19 F20 I26L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-N 3Å; F20-S22 VanDerWaalsContact C-N 3.35Å; S22-I26 VanDerWaalsContact O-CG1 3.27Å; S22-I26 WeakPolarHBondContact O-CG1 3.29Å; S22-I26 PolarHBondContact O-N 2.03Å
23Q48.5Very low47.5Very low122 Ų122110.9 Ų110.957%0.5763%0.628SS**Hα-helixtrans-71.5-32.5177.4-94.3165-14.200113.2L19 F20 I21 L27L19-Q23 PolarHBondContact O-N 2.88Å; F20-Q23 PolarHBondContact O-N 3.48Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 2.92Å; Q23-L27 PolarHBondContact O-N 3.2Å
24F53.3Low46.3Very low139 Ų139116 Ų11661%0.6164%0.642SS**Hα-helixtrans-73.6-32.7173.1-91-83.3000113.2F20 I21 L27 S28F20-F24 WeakPolarHBondContact O-CD2 3.38Å; F20-F24 PolarHBondContact O-N 2.92Å; I21-F24 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 3.32Å; F24-S28 PolarHBondContact O-N 2.89Å; F24-S28 VanDerWaalsContact O-N 3.16Å; F24-S28 PolarHBondContact O-OG 2.87Å
25C47.8Very low45.1Very low86 Ų86116.5 Ų116.558%0.58166%0.656SS**Hα-helixtrans-66.7-34.8173-72.30000112.7I21 L27I21-C25 PolarHBondContact O-N 3.41Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.37Å; C25-L27 VanDerWaalsContact C-N 3.33Å
26I49Very low43.9Very low138 Ų138120 Ų12071%0.70867%0.669SS**Hα-helixtrans-71.7-27.5176.1-63-73.2000111.7S22S22-I26 VanDerWaalsContact O-CG1 3.27Å; S22-I26 WeakPolarHBondContact O-CG1 3.29Å; S22-I26 PolarHBondContact O-N 2.03Å
27L42.5Very low42.8Very low144 Ų144115.8 Ų115.875%0.75467%0.673SS**Hα-helixtrans-86.1-15.7177.5-77.5165.6000114.6Q23 F24 C25Q23-L27 PolarHBondContact O-N 3.2Å; F24-L27 PolarHBondContact O-N 3.32Å; C25-L27 VanDerWaalsContact C-N 3.33Å
28S40.9Very low41.6Very low102 Ų102119.1 Ų119.171%0.71368%0.683SS**Hα-helixtrans-92.9-9.6175.3-64.40000113.9F24 G30F24-S28 PolarHBondContact O-N 2.89Å; F24-S28 VanDerWaalsContact O-N 3.16Å; F24-S28 PolarHBondContact O-OG 2.87Å; S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 3.48Å
29G34.8Very low40.3Very low74 Ų74119.4 Ų119.476%0.76369%0.694SS**SBendtrans-83.517.9-175.100000116.2
30G33Very low39.1Very low66 Ų66122 Ų12268%0.6871%0.707SS**  trans-133.860-171.600000114.2S28S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 3.48Å
31E26.9Very low37.7Very low183 Ų183125.1 Ų125.186%0.85572%0.72SS**  trans-95.582.3153-98.9-17682.400108.7S33E31-S33 PolarHBondContact O-N 2.96Å
32Q27.1Very low36.6Very low164 Ų164127.6 Ų127.677%0.76673%0.734SS**  trans-65.1119161.7-165.9168.314.300107.1Q34Q32-Q34 PolarHBondContact O-N 2.98Å
33S36.2Very low35.7Very low124 Ų124130 Ų13087%0.86775%0.748SS**  trans-50.3107.3165.3-600000109.1E31E31-S33 PolarHBondContact O-N 2.96Å
34Q26.2Very low35.2Very low165 Ų165127.1 Ų127.177%0.77175%0.751SS**  trans-121.190.9168.1-138.9158.8-27.900107.6Q32 L36Q32-Q34 PolarHBondContact O-N 2.98Å; Q34-L36 PolarHBondContact O-N 2.02Å
35A31.1Very low34.3Very low98 Ų98127 Ų12781%0.8177%0.765SS**  trans-56108160.800000107.5A37A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 3.25Å
36L26Very low33.6Very low146 Ų146129.4 Ų129.476%0.76478%0.777SS**  trans-73.293.1171.7-166.599.7000108Q34 Q38Q34-L36 PolarHBondContact O-N 2.02Å; L36-Q38 HydrophobicContact CD2-CG 4.37Å; L36-Q38 HydrophobicContact CG-CG 4.27Å
37A33Very low33.2Very low95 Ų95134.1 Ų134.179%0.78579%0.786SS**  trans-79111.5157.800000108.3A35A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 3.25Å
38Q31.3Very low32.8Very low158 Ų158131.6 Ų131.674%0.73879%0.786SS**  trans-136.297.3161.4-76.6-174.7-37.800107L36L36-Q38 HydrophobicContact CD2-CG 4.37Å; L36-Q38 HydrophobicContact CG-CG 4.27Å
39S31Very low32.5Very low112 Ų112136.1 Ų136.178%0.78379%0.793SS**  82.689.886.9-168.30000111.2K41S39-K41 PolarHBondContact O-N 2.86Å
40I31.7Very low32.3Very low156 Ų156138.7 Ų138.780%0.879%0.794SS**  trans-55126.8165-62.1166000108
41K29.9Very low32.5Very low191 Ų191141.5 Ų141.583%0.8380%0.798SS**  trans-114.4102172-166.7179.1-174.7-175.90107.4S39 P43S39-K41 PolarHBondContact O-N 2.86Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å
42D32.7Very low33.2Very low148 Ų148138.4 Ų138.479%0.79179%0.791SS**  trans-67.9137.6168.6-81.8-60.4000111
43P36.9Very low33.6Very low118 Ų118135.8 Ų135.877%0.76679%0.788SS**  trans-112.9133.5146.17.113.9000110.2K41K41-P43 WeakPolarHBondContact O-CD 3.04Å
44G36.8Very low33.4Very low62 Ų62141.3 Ų141.364%0.63979%0.79SS**  trans-63.8-176-176.300000116.8T46G44-T46 PolarHBondContact O-N 3.05Å
45P35Very low33.8Very low137 Ų137138.3 Ų138.389%0.8979%0.793SS**  trans-83.2119.4-154.332.5-32.6000111.9
46T32.8Very low34.1Very low137 Ų137137.9 Ų137.984%0.8479%0.79SS**  trans-101.5115.4165.7-49.90000108.4G44 A48G44-T46 PolarHBondContact O-N 3.05Å; T46-A48 PolarHBondContact O-N 2.03Å; T46-A48 VanDerWaalsContact O-N 3.15Å
47R40.8Very low35.1Very low236 Ų236140.1 Ų140.189%0.89180%0.796SS**  trans-65.5106.7177.3-74179.2169.9173.5-3.1110
48A34.8Very low35.6Very low91 Ų91139.2 Ų139.275%0.75278%0.784SS**  trans-97.9128.8164.900000109.2T46 T50T46-A48 PolarHBondContact O-N 2.03Å; T46-A48 VanDerWaalsContact O-N 3.15Å; A48-T50 PolarHBondContact O-N 2.79Å
49F34.1Very low36.7Very low197 Ų197138.5 Ų138.586%0.86479%0.791SS**  trans-70122.6179-79-98.9000110.5V51F49-V51 PolarHBondContact O-N 3.4Å
50T31.7Very low37.8Very low128 Ų128140.3 Ų140.379%0.78579%0.787SS**  trans-71.7103.7171.3-34.20000109.2A48 V52A48-T50 PolarHBondContact O-N 2.79Å; T50-V52 HydrophobicContact CG2-CG2 4.21Å
51V36.2Very low39.1Very low126 Ų126139 Ų13976%0.76478%0.78SS**  trans-84.6108.4157176.80000105.8F49 P53F49-V51 PolarHBondContact O-N 3.4Å; V51-P53 WeakPolarHBondContact O-CD 3.35Å
52V41Very low40.9Very low117 Ų117132 Ų13271%0.70975%0.754SS**  trans-73.9111.6171.6175.10000107.7T50T50-V52 HydrophobicContact CG2-CG2 4.21Å
53P36.6Very low42.6Very low109 Ų109130.4 Ų130.471%0.70875%0.752SS**  trans-78.1126.9162.4-0.421.8000106.7V51 A55V51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-A55 PolarHBondContact O-N 2.85Å; P53-A55 VanDerWaalsContact O-N 3.17Å
54R32.8Very low44Very low241 Ų241127.3 Ų127.391%0.90973%0.725SS**  trans-46.3122.8164.9-91.3173.9167.1143.7-4.5108.6A56R54-A56 PolarHBondContact O-N 2.8Å
55A34.6Very low45.6Very low101 Ų101125.9 Ų125.984%0.83570%0.704SS**  trans-58.2107.8166.900000107.7P53 E57P53-A55 PolarHBondContact O-N 2.85Å; P53-A55 VanDerWaalsContact O-N 3.17Å; A55-E57 PolarHBondContact O-N 3.49Å
56A35.8Very low47.3Very low89 Ų89127.5 Ų127.574%0.73670%0.702SS**  trans-64.6128.5159.900000106.7R54 S58R54-A56 PolarHBondContact O-N 2.8Å; A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 3.12Å
57E47.5Very low49.5Very low194 Ų194127.7 Ų127.791%0.90769%0.691SS**  trans-62.691.7172.2-166.7164-170.500108A55 T59A55-E57 PolarHBondContact O-N 3.49Å; E57-T59 PolarHBondContact O-N 2.94Å
58S43.5Very low51.4Low75 Ų75117 Ų11752%0.52465%0.652SS.*  trans-77.6116.8176.5-165.90000107.9A56 E60A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 3.12Å; S58-E60 WeakPolarHBondContact CB-OE1 3.49Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact OG-CG 3.28Å; S58-E60 WeakPolarHBondContact OG-CG 3.04Å; S58-E60 PolarHBondContact OG-OE1 2.93Å
59T53.7Low53.6Low143 Ų143115.8 Ų115.888%0.87764%0.637SS**  trans-70.864.4165.3-45.80000108.3E57 I61E57-T59 PolarHBondContact O-N 2.94Å; T59-I61 PolarHBondContact O-N 2.95Å
60E54.8Low55.6Low150 Ų150110.9 Ų110.970%0.70163%0.627SS**  trans-85.5111.8176.1-94.5166.3-133.800108.8S58 P62S58-E60 WeakPolarHBondContact CB-OE1 3.49Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact OG-CG 3.28Å; S58-E60 WeakPolarHBondContact OG-CG 3.04Å; S58-E60 PolarHBondContact OG-OE1 2.93Å; E60-P62 VanDerWaalsContact O-CD 3.27Å; E60-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact O-N 3.16Å
61I58.8Low57.8Low130 Ų130110.2 Ų110.267%0.66762%0.618SS**  trans-55.1119.5170-60.5166.8000107T59 V65T59-I61 PolarHBondContact O-N 2.95Å; I61-V65 HydrophobicContact CG2-CB 3.86Å; I61-V65 HydrophobicContact CG2-CG1 4.1Å; I61-V65 HydrophobicContact CG2-CG2 3.95Å
62P68.3Low60.1Low43 Ų43105.4 Ų105.428%0.27960%0.595SS.*  trans-61.5143.8-175.6-26.935.7000112.1E60 Y64 V65E60-P62 VanDerWaalsContact O-CD 3.27Å; E60-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact O-N 3.16Å; P62-Y64 HydrophobicContact CB-CD1 3.33Å; P62-Y64 HydrophobicContact CB-CE1 3.04Å; P62-Y64 HydrophobicContact CB-CG 4.21Å; P62-Y64 HydrophobicContact CG-CD1 4.34Å; P62-Y64 HydrophobicContact CG-CE1 3.58Å; P62-Y64 PolarHBondContact O-N 3.08Å; P62-V65 HydrophobicContact CB-CG2 4.42Å; P62-V65 WeakPolarHBondContact O-CB 3.05Å; P62-V65 WeakPolarHBondContact O-CG2 3.45Å; P62-V65 PolarHBondContact O-N 3.07Å
63P67.3Low62.4Low115 Ų115103.2 Ų103.275%0.74758%0.579SS**THydrogen-bonded Turntrans-62.2-13.3-175.623.4-33.7000114.4
64Y67.8Low64.8Low53 Ų5398.2 Ų98.221%0.20855%0.546CS..THydrogen-bonded Turntrans-74.1-24.8175.167.3-102.8000113.3P62 M66 K67 C68 K103 P104 V106P62-Y64 HydrophobicContact CB-CD1 3.33Å; P62-Y64 HydrophobicContact CB-CE1 3.04Å; P62-Y64 HydrophobicContact CB-CG 4.21Å; P62-Y64 HydrophobicContact CG-CD1 4.34Å; P62-Y64 HydrophobicContact CG-CE1 3.58Å; P62-Y64 PolarHBondContact O-N 3.08Å; Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 2.95Å; Y64-K67 PolarHBondContact O-N 3.3Å; Y64-K67 VanDerWaalsContact O-N 3.12Å; Y64-C68 PolarHBondContact O-SG 2.88Å; Y64-K103 HydrophobicContact CD2-CD 4.22Å; Y64-K103 HydrophobicContact CE1-CD 4.42Å; Y64-K103 HydrophobicContact CE2-CB 3.87Å; Y64-K103 HydrophobicContact CE2-CD 3.97Å; Y64-P104 PolarHBondContact OH-O 2.9Å; Y64-V106 HydrophobicContact CE2-CG2 4.4Å
65V69.4Low67.3Low32 Ų3289.9 Ų89.919%0.19452%0.524CS..G310 helixtrans-64.3-33.1-174.1179.30000111.6I61 P62 K67 C68I61-V65 HydrophobicContact CG2-CB 3.86Å; I61-V65 HydrophobicContact CG2-CG1 4.1Å; I61-V65 HydrophobicContact CG2-CG2 3.95Å; P62-V65 HydrophobicContact CB-CG2 4.42Å; P62-V65 WeakPolarHBondContact O-CB 3.05Å; P62-V65 WeakPolarHBondContact O-CG2 3.45Å; P62-V65 PolarHBondContact O-N 3.07Å; V65-K67 PolarHBondContact O-N 2.04Å; V65-C68 PolarHBondContact O-N 2.96Å
66M70.8Confident69.8Low171 Ų17195.2 Ų95.284%0.84252%0.523SS*.G310 helixtrans-69.2-19.4179-63.4-60.6-69.600113.8Y64Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 2.95Å
67K78.4Confident72.4Confident141 Ų14191.1 Ų91.161%0.61349%0.489SS*.G310 helixtrans-94.5-8.1-179.9-62.8-176.3-179.3-177.20112.9Y64 V65Y64-K67 PolarHBondContact O-N 3.3Å; Y64-K67 VanDerWaalsContact O-N 3.12Å; V65-K67 PolarHBondContact O-N 2.04Å
68C82.3Confident74.4Confident12 Ų1282.9 Ų82.98%0.08145%0.452CS..SBendtrans-95.6124.5-175.1-62.90000110.5Y64 V65 S70 C81 V106Y64-C68 PolarHBondContact O-SG 2.88Å; V65-C68 PolarHBondContact O-N 2.96Å; C68-S70 PolarHBondContact O-N 2.91Å; C68-C81 WeakPolarHBondContact CA-SG 3.04Å; C68-C81 HydrophobicContact CB-CB 4.02Å; C68-C81 WeakPolarHBondContact CB-SG 3.06Å; C68-C81 WeakPolarHBondContact SG-CB 3.46Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.27Å; C68-V106 HydrophobicContact CB-CG1 3.98Å; C68-V106 HydrophobicContact CB-CG2 3.77Å
69P79.4Confident76.6Confident65 Ų6580.1 Ų80.142%0.42243%0.434SS..PPolyproline II helixtrans-69.8132.1173.728.2-32.2000110.3L77P69-L77 HydrophobicContact CG-CD1 4.32Å
70S76.9Confident78.2Confident93 Ų9375.8 Ų75.865%0.6541%0.405SS*.THydrogen-bonded Turntrans-82.2138.8174.6-540000110.9C68 G72C68-S70 PolarHBondContact O-N 2.91Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.83Å
71N78.4Confident79.9Confident114 Ų11468.6 Ų68.661%0.6137%0.372SS*.THydrogen-bonded Turntrans6421.8175-57.7-20.9000115.9T107N71-T107 PolarHBondContact N-O 3.42Å; N71-T107 PolarHBondContact OD1-OG1 2.97Å; N71-T107 VanDerWaalsContact OD1-OG1 3.12Å
72G84.2Confident81.4Confident26 Ų2662.9 Ų62.927%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-78.8173.4168.800000113.2S70 C74 C108 V109S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.83Å; G72-C74 PolarHBondContact O-N 3.17Å; G72-C108 WeakPolarHBondContact O-CA 3.4Å; G72-C108 WeakPolarHBondContact O-CB 3.45Å; G72-V109 PolarHBondContact O-N 2.83Å
73L89Confident82.5Confident71 Ų7166.3 Ų66.337%0.37236%0.358SS..EExtended strand (participates in β ladder)trans-63.3132.1170.8-100.283.8000110.9S75 R76 V109 Q111L73-S75 PolarHBondContact O-N 3.22Å; L73-R76 PolarHBondContact O-N 3.37Å; L73-R76 VanDerWaalsContact O-N 3.08Å; L73-V109 CarbonylContact C-O 3.58Å; L73-V109 VanDerWaalsContact CA-O 3.29Å; L73-V109 WeakPolarHBondContact CA-O 3.04Å; L73-Q111 HydrophobicContact CD2-CG 4.2Å
74C86.8Confident83.7Confident4 Ų462.1 Ų62.13%0.02733%0.332CS..G310 helixtrans-57.5-35.7177.8-61.80000112.8G72 R76 L77 C108 V109 F119G72-C74 PolarHBondContact O-N 3.17Å; C74-R76 PolarHBondContact O-N 3Å; C74-L77 WeakPolarHBondContact O-CB 3.42Å; C74-L77 PolarHBondContact O-N 3.22Å; C74-C108 WeakPolarHBondContact CA-SG 3.35Å; C74-C108 HydrophobicContact CB-CB 3.91Å; C74-C108 WeakPolarHBondContact CB-SG 3.01Å; C74-C108 WeakPolarHBondContact SG-CB 3.32Å; C74-C108 CovalentContact SG-SG 2.03Å; C74-C108 PolarHBondContact SG-SG 3.4Å; C74-V109 PolarHBondContact N-O 2.76Å; C74-V109 PolarHBondContact SG-O 3.42Å; C74-F119 HydrophobicContact CB-CB 4.45Å; C74-F119 HydrophobicContact CB-CD1 3.84Å; C74-F119 HydrophobicContact CB-CD2 3.89Å; C74-F119 HydrophobicContact CB-CE1 3.99Å; C74-F119 HydrophobicContact CB-CE2 3.99Å; C74-F119 HydrophobicContact CB-CG 3.79Å; C74-F119 HydrophobicContact CB-CZ 4.04Å; C74-F119 WeakPolarHBondContact O-CE2 3.01Å; C74-F119 VanDerWaalsContact O-CZ 3.29Å; C74-F119 WeakPolarHBondContact O-CZ 3.25Å
75S86.3Confident84.7Confident65 Ų6564.8 Ų64.846%0.45535%0.353SS..G310 helixtrans-68.7-13.9179.362.70000115.2L73L73-S75 PolarHBondContact O-N 3.22Å
76R87.1Confident85.5Confident214 Ų21466.2 Ų66.281%0.80836%0.362SS*.G310 helixtrans-110.19.5179.9-80.3-172.2145.2132.9-1.7113.2L73 C74L73-R76 PolarHBondContact O-N 3.37Å; L73-R76 VanDerWaalsContact O-N 3.08Å; C74-R76 PolarHBondContact O-N 3Å
77L89.4Confident86.2Confident3 Ų362.5 Ų62.52%0.01635%0.346CS..  trans-69.3138-178.9-136.967.1000110.3P69 C74 C81 I82 V102 V106 C108 H165P69-L77 HydrophobicContact CG-CD1 4.32Å; C74-L77 WeakPolarHBondContact O-CB 3.42Å; C74-L77 PolarHBondContact O-N 3.22Å; L77-C81 HydrophobicContact CD2-CB 3.76Å; L77-C81 HydrophobicContact CG-CB 3.84Å; L77-I82 HydrophobicContact CB-CG2 3.87Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 HydrophobicContact CG-CG2 4.21Å; L77-V102 HydrophobicContact CD2-CG1 4.19Å; L77-V106 HydrophobicContact CD2-CG1 3.88Å; L77-C108 HydrophobicContact CD1-CB 4.15Å; L77-C108 HydrophobicContact CD2-CB 4.36Å; L77-H165 PolarHBondContact O-CE1 3.38Å
78P90.4Very high86.6Confident21 Ų2161.4 Ų61.414%0.13634%0.341CS..  trans-53.9147.6173.1-28.636.4000112.4D80 C81 D162P78-D80 PolarHBondContact O-N 3.12Å; P78-D80 VanDerWaalsContact O-N 3.12Å; P78-C81 WeakPolarHBondContact O-CB 3.01Å; P78-C81 PolarHBondContact O-N 2.03Å; P78-D162 HydrophobicContact CB-CB 4.19Å
79A88.4Confident87Confident17 Ų1766.1 Ų66.114%0.1438%0.375CS..G310 helixtrans-57.6-28.2178.200000113.4C81 I82 D162 R170A79-C81 PolarHBondContact O-N 3.28Å; A79-I82 VanDerWaalsContact O-O 3.13Å; A79-D162 PolarHBondContact N-O 3.22Å; A79-R170 VanDerWaalsContact CB-CZ 3.42Å; A79-R170 VanDerWaalsContact CB-NH1 3.28Å
80D89Confident87.5Confident51 Ų5164.5 Ų64.527%0.27336%0.364SS..G310 helixtrans-70.5-20.3178.6-75.1-1.2000113.3P78 K103 R170P78-D80 PolarHBondContact O-N 3.12Å; P78-D80 VanDerWaalsContact O-N 3.12Å; D80-K103 WeakPolarHBondContact O-CD 3.16Å; D80-K103 VanDerWaalsContact O-CE 3.32Å; D80-K103 WeakPolarHBondContact O-CE 3.17Å; D80-K103 PolarHBondContact O-NZ 2.79Å; D80-R170 IonicContact OD1-NE 3.25Å
81C89.8Confident88.2Confident0 Ų064.9 Ų64.90%036%0.363CS..G310 helixtrans-93.8-6.3-175.3-54.70000113.4C68 L77 P78 A79 K103 V106C68-C81 WeakPolarHBondContact CA-SG 3.04Å; C68-C81 HydrophobicContact CB-CB 4.02Å; C68-C81 WeakPolarHBondContact CB-SG 3.06Å; C68-C81 WeakPolarHBondContact SG-CB 3.46Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.27Å; L77-C81 HydrophobicContact CD2-CB 3.76Å; L77-C81 HydrophobicContact CG-CB 3.84Å; P78-C81 WeakPolarHBondContact O-CB 3.01Å; P78-C81 PolarHBondContact O-N 2.03Å; A79-C81 PolarHBondContact O-N 3.28Å; C81-K103 WeakPolarHBondContact O-CB 3.37Å; C81-K103 PolarHBondContact O-N 3Å; C81-V106 HydrophobicContact CB-CG1 4.41Å
82I91.1Very high89Confident10 Ų1065.9 Ų65.95%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-129.1155.5-173.466.7178.1000109.6L77 A79 C100 A101 F119 I121L77-I82 HydrophobicContact CB-CG2 3.87Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 HydrophobicContact CG-CG2 4.21Å; A79-I82 VanDerWaalsContact O-O 3.13Å; I82-C100 HydrophobicContact CD1-CB 4.46Å; I82-A101 CarbonylContact C-O 3.56Å; I82-A101 WeakPolarHBondContact CA-O 3.1Å; I82-F119 HydrophobicContact CG2-CE1 4.32Å; I82-F119 HydrophobicContact CG2-CZ 3.81Å; I82-I121 HydrophobicContact CD1-CD1 3.95Å
83D91.3Very high89.3Confident115 Ų11566.7 Ų66.762%0.61537%0.367SS*.EExtended strand (participates in β ladder)trans-124.5121.2171.1-166.33.9000108.4C100 A101D83-C100 CarbonylContact O-C 3.59Å; D83-C100 WeakPolarHBondContact O-CA 3.38Å; D83-A101 PolarHBondContact N-O 2.04Å; D83-A101 PolarHBondContact O-N 3.25Å
84C90.7Very high89.6Confident27 Ų2769.5 Ų69.518%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-116.4136.6-171.2-61.60000110.8T86 D99 C100C84-T86 PolarHBondContact O-N 3.49Å; C84-D99 WeakPolarHBondContact CA-O 3.36Å; C84-C100 HydrophobicContact CB-CB 4.06Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CB 3.09Å; C84-C100 CovalentContact SG-SG 2.03Å; C84-C100 PolarHBondContact SG-SG 3.01Å
85T90.3Very high89.9Confident108 Ų10873.5 Ų73.566%0.66340%0.402SS*.  trans-71.998.4173.4-55.70000108.9F98 D99T85-F98 WeakPolarHBondContact O-CD1 3.2Å; T85-D99 PolarHBondContact N-O 3.34Å
86T85.3Confident90.2Very high63 Ų6372.2 Ų72.239%0.38739%0.391SS..  trans-79.3124.7-17752.20000111.5C84 F88 L167C84-T86 PolarHBondContact O-N 3.49Å; T86-F88 WeakPolarHBondContact OG1-CZ 3.42Å; T86-L167 HydrophobicContact CG2-CD2 3.93Å
87N86Confident90.5Very high92 Ų9266.8 Ų66.849%0.49238%0.382SS..  trans-104.3116.1168.2-169.3-34.7000109.9S89 F98N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 VanDerWaalsContact OD1-CB 3.25Å; N87-S89 WeakPolarHBondContact OD1-CB 3.3Å; N87-S89 PolarHBondContact OD1-N 3.29Å; N87-S89 PolarHBondContact OD1-OG 3.42Å; N87-F98 HydrophobicContact CB-CE1 4.36Å
88F87Confident90.5Very high118 Ų11866.9 Ų66.952%0.51838%0.382SS..  trans-82.6-2.6-178.4-57.5-70.6000114.2T86 C90 F127 L167T86-F88 WeakPolarHBondContact OG1-CZ 3.42Å; F88-C90 VanDerWaalsContact C-N 3.27Å; F88-C90 PolarHBondContact O-N 3.25Å; F88-F127 AromaticContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CZ 4.2Å; F88-F127 HydrophobicContact CE1-CE1 4.17Å; F88-L167 HydrophobicContact CD1-CB 4.49Å; F88-L167 HydrophobicContact CE1-CB 4.39Å
89S89.6Confident90.7Very high112 Ų11270 Ų7078%0.78340%0.398SS*.  trans-88.517.3-172.6-46.70000114N87N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 VanDerWaalsContact OD1-CB 3.25Å; N87-S89 WeakPolarHBondContact OD1-CB 3.3Å; N87-S89 PolarHBondContact OD1-N 3.29Å; N87-S89 PolarHBondContact OD1-OG 3.42Å
90C90.3Very high90.9Very high30 Ų3069.2 Ų69.220%0.20339%0.391CS..SBendtrans-87.5158-177.353.10000113.5F88 V96 C125F88-C90 VanDerWaalsContact C-N 3.27Å; F88-C90 PolarHBondContact O-N 3.25Å; C90-V96 HydrophobicContact CB-CG2 3.64Å; C90-C125 HydrophobicContact CB-CB 3.64Å; C90-C125 WeakPolarHBondContact CB-SG 3.34Å; C90-C125 PolarHBondContact O-SG 2.74Å; C90-C125 VanDerWaalsContact O-SG 3.41Å; C90-C125 WeakPolarHBondContact SG-CB 3.18Å; C90-C125 CovalentContact SG-SG 2.02Å; C90-C125 PolarHBondContact SG-SG 3.39Å
91V92.9Very high91Very high102 Ų10268.4 Ų68.462%0.61839%0.392SS*.PPolyproline II helixtrans-79125.3175.9-179.10000109.7G93 K94 C125V91-G93 PolarHBondContact O-N 3.43Å; V91-K94 HydrophobicContact CB-CB 4.41Å; V91-K94 HydrophobicContact CB-CG 3.96Å; V91-K94 HydrophobicContact CG1-CG 3.95Å; V91-K94 WeakPolarHBondContact O-CB 3.19Å; V91-K94 PolarHBondContact O-N 3.48Å; V91-K94 VanDerWaalsContact O-N 3.13Å; V91-C125 WeakPolarHBondContact O-CB 3.2Å
92Y93.3Very high91.1Very high135 Ų13569.6 Ų69.653%0.52940%0.399SS..THydrogen-bonded Turntrans-51.5130.9178.6178.3-94.5000112K94 C125 R126 Q130Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 2.87Å; Y92-C125 WeakPolarHBondContact CA-O 3.48Å; Y92-R126 HydrophobicContact CD2-CB 4.33Å; Y92-R126 HydrophobicContact CE2-CB 3.96Å; Y92-Q130 HydrophobicContact CE2-CB 4.19Å
93G92Very high91.1Very high42 Ų4272.2 Ų72.243%0.43341%0.41SS..THydrogen-bonded Turntrans81.5-1.117800000115.3V91 C125V91-G93 PolarHBondContact O-N 3.43Å; G93-C125 PolarHBondContact N-O 3.05Å
94K94.2Very high90.9Very high131 Ų13171.2 Ų71.257%0.5741%0.41SS*.SBendtrans-93.8145.9174.5-62.3-61.1-175.1-179.90111.6V91 Y92 C125V91-K94 HydrophobicContact CB-CB 4.41Å; V91-K94 HydrophobicContact CB-CG 3.96Å; V91-K94 HydrophobicContact CG1-CG 3.95Å; V91-K94 WeakPolarHBondContact O-CB 3.19Å; V91-K94 PolarHBondContact O-N 3.48Å; V91-K94 VanDerWaalsContact O-N 3.13Å; Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 2.87Å; K94-C125 WeakPolarHBondContact O-CB 3.36Å; K94-C125 PolarHBondContact O-N 2.95Å
95P93.9Very high90.5Very high88 Ų8874.6 Ų74.657%0.57143%0.433SS*.EExtended strand (participates in β ladder)trans-69.2135.9174.428.9-33.5000110.4N122P95-N122 WeakPolarHBondContact CB-OD1 3.49Å
96V92.6Very high90.3Very high38 Ų3870.2 Ų70.223%0.2341%0.407CS..EExtended strand (participates in β ladder)trans-138.4140.9179.2177.10000109.3C90 F98 M123 C125C90-V96 HydrophobicContact CB-CG2 3.64Å; V96-F98 HydrophobicContact CB-CE2 3.76Å; V96-F98 HydrophobicContact CB-CZ 4.04Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE1 4.26Å; V96-F98 HydrophobicContact CG1-CE2 3.71Å; V96-F98 HydrophobicContact CG1-CZ 3.7Å; V96-F98 WeakPolarHBondContact O-CD2 3.36Å; V96-M123 PolarHBondContact N-O 3.12Å; V96-M123 PolarHBondContact O-N 2.85Å; V96-M123 VanDerWaalsContact O-O 3.11Å; V96-C125 HydrophobicContact CG2-CB 4.15Å
97T92.9Very high90.4Very high99 Ų9970.8 Ų70.861%0.60741%0.41SS*.EExtended strand (participates in β ladder)trans-90.3130.417750.70000110.7I120 I121T97-I120 HydrophobicContact CG2-CG2 4.11Å; T97-I121 CarbonylContact C-O 3.55Å; T97-I121 VanDerWaalsContact CA-O 3.31Å; T97-I121 WeakPolarHBondContact CA-O 3.13Å
98F90.5Very high90.5Very high6 Ų666.5 Ų66.53%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-120140.9176-61.2-91.8000110.1T85 N87 V96 I120 I121 M123 L167T85-F98 WeakPolarHBondContact O-CD1 3.2Å; N87-F98 HydrophobicContact CB-CE1 4.36Å; V96-F98 HydrophobicContact CB-CE2 3.76Å; V96-F98 HydrophobicContact CB-CZ 4.04Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE1 4.26Å; V96-F98 HydrophobicContact CG1-CE2 3.71Å; V96-F98 HydrophobicContact CG1-CZ 3.7Å; V96-F98 WeakPolarHBondContact O-CD2 3.36Å; F98-I120 WeakPolarHBondContact O-CA 3.5Å; F98-I121 HydrophobicContact CB-CG1 4.5Å; F98-I121 PolarHBondContact N-O 3.29Å; F98-I121 PolarHBondContact O-N 2.99Å; F98-M123 HydrophobicContact CB-CE 4.14Å; F98-M123 HydrophobicContact CD2-CE 3.52Å; F98-M123 HydrophobicContact CD2-CG 3.45Å; F98-M123 VanDerWaalsContact CD2-CG 3.45Å; F98-M123 HydrophobicContact CD2-SD 3.71Å; F98-M123 HydrophobicContact CE2-CE 4.15Å; F98-M123 HydrophobicContact CE2-CG 3.28Å; F98-M123 HydrophobicContact CE2-SD 3.68Å; F98-M123 HydrophobicContact CG-CE 3.97Å; F98-M123 HydrophobicContact CG-SD 4.49Å; F98-M123 HydrophobicContact CZ-CG 4.42Å; F98-M123 HydrophobicContact CZ-SD 4.45Å; F98-L167 HydrophobicContact CE1-CD2 3.9Å; F98-L167 HydrophobicContact CZ-CD2 3.88Å
99D93.1Very high90.7Very high86 Ų8662 Ų6246%0.4637%0.37SS..EExtended strand (participates in β ladder)trans-84.1122.2173.5-165.6-48.8000109C84 T85C84-D99 WeakPolarHBondContact CA-O 3.36Å; T85-D99 PolarHBondContact N-O 3.34Å
100C92.4Very high90.6Very high0 Ų059.1 Ų59.10%035%0.345CS..EExtended strand (participates in β ladder)trans-125.3138.9-175.4-58.70000111.4I82 D83 C84 N118 F119 I121I82-C100 HydrophobicContact CD1-CB 4.46Å; D83-C100 CarbonylContact O-C 3.59Å; D83-C100 WeakPolarHBondContact O-CA 3.38Å; C84-C100 HydrophobicContact CB-CB 4.06Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CB 3.09Å; C84-C100 CovalentContact SG-SG 2.03Å; C84-C100 PolarHBondContact SG-SG 3.01Å; C100-N118 WeakPolarHBondContact O-CA 3.37Å; C100-F119 HydrophobicContact CB-CE1 4.4Å; C100-F119 HydrophobicContact CB-CE2 4.35Å; C100-F119 HydrophobicContact CB-CZ 4.18Å; C100-F119 PolarHBondContact N-O 3.41Å; C100-F119 PolarHBondContact O-N 2.89Å; C100-F119 VanDerWaalsContact O-O 3.12Å; C100-I121 WeakPolarHBondContact SG-CD1 3.14Å; C100-I121 VanDerWaalsContact SG-CG1 3.51Å
101A92.8Very high90.5Very high35 Ų3564.7 Ų64.729%0.28937%0.369SS..EExtended strand (participates in β ladder)trans-107.7141.4172.400000110.6I82 D83 K117I82-A101 CarbonylContact C-O 3.56Å; I82-A101 WeakPolarHBondContact CA-O 3.1Å; D83-A101 PolarHBondContact N-O 2.04Å; D83-A101 PolarHBondContact O-N 3.25Å; A101-K117 CarbonylContact C-O 3.59Å; A101-K117 VanDerWaalsContact CA-O 3.3Å; A101-K117 WeakPolarHBondContact CA-O 3Å
102V91.9Very high90.3Very high24 Ų2465.4 Ų65.415%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-72.1136.3172.4-172.80000109.4L77 V106 C108 K117 F119L77-V102 HydrophobicContact CD2-CG1 4.19Å; V102-V106 HydrophobicContact CG1-CB 3.62Å; V102-V106 HydrophobicContact CG1-CG1 3.83Å; V102-V106 WeakPolarHBondContact CG1-O 3.47Å; V102-C108 WeakPolarHBondContact CG2-SG 3.44Å; V102-K117 PolarHBondContact N-O 3.27Å; V102-F119 HydrophobicContact CG2-CD1 4.2Å; V102-F119 HydrophobicContact CG2-CE1 3.61Å
103K90.3Very high89.9Confident65 Ų6567.6 Ų67.628%0.28338%0.381SS..PPolyproline II helixtrans-63.3157.5175-77.8-174-177.3170.90112.1Y64 D80 C81 S105 V106Y64-K103 HydrophobicContact CD2-CD 4.22Å; Y64-K103 HydrophobicContact CE1-CD 4.42Å; Y64-K103 HydrophobicContact CE2-CB 3.87Å; Y64-K103 HydrophobicContact CE2-CD 3.97Å; D80-K103 WeakPolarHBondContact O-CD 3.16Å; D80-K103 VanDerWaalsContact O-CE 3.32Å; D80-K103 WeakPolarHBondContact O-CE 3.17Å; D80-K103 PolarHBondContact O-NZ 2.79Å; C81-K103 WeakPolarHBondContact O-CB 3.37Å; C81-K103 PolarHBondContact O-N 3Å; K103-S105 PolarHBondContact O-N 2.85Å; K103-V106 PolarHBondContact O-N 2.85Å
104P86.4Confident89.8Confident94 Ų9472.1 Ų72.161%0.6139%0.389SS*.THydrogen-bonded Turntrans-51.9143.3174.5-22.832.2000111.6Y64 V106Y64-P104 PolarHBondContact OH-O 2.9Å; P104-V106 PolarHBondContact O-N 3.04Å
105S82.6Confident89.4Confident98 Ų9870.9 Ų70.969%0.68540%0.397SS*.THydrogen-bonded Turntrans704.9177.2-47.40000116.8K103K103-S105 PolarHBondContact O-N 2.85Å
106V86.4Confident89Confident16 Ų1669.8 Ų69.810%0.09738%0.384CS..  trans-106.2134.2170.8-178.20000109.5Y64 C68 L77 C81 V102 K103 P104Y64-V106 HydrophobicContact CE2-CG2 4.4Å; C68-V106 HydrophobicContact CB-CG1 3.98Å; C68-V106 HydrophobicContact CB-CG2 3.77Å; L77-V106 HydrophobicContact CD2-CG1 3.88Å; C81-V106 HydrophobicContact CB-CG1 4.41Å; V102-V106 HydrophobicContact CG1-CB 3.62Å; V102-V106 HydrophobicContact CG1-CG1 3.83Å; V102-V106 WeakPolarHBondContact CG1-O 3.47Å; K103-V106 PolarHBondContact O-N 2.85Å; P104-V106 PolarHBondContact O-N 3.04Å
107T87.1Confident88.8Confident75 Ų7576.1 Ų76.146%0.4641%0.409SS..  trans-117.2128.417756.80000110.6N71N71-T107 PolarHBondContact N-O 3.42Å; N71-T107 PolarHBondContact OD1-OG1 2.97Å; N71-T107 VanDerWaalsContact OD1-OG1 3.12Å
108C89Confident88.8Confident2 Ų276.4 Ų76.41%0.01441%0.406CS..EExtended strand (participates in β ladder)trans-129.3158.9172.969.80000110.3G72 C74 L77 V102 Q116G72-C108 WeakPolarHBondContact O-CA 3.4Å; G72-C108 WeakPolarHBondContact O-CB 3.45Å; C74-C108 WeakPolarHBondContact CA-SG 3.35Å; C74-C108 HydrophobicContact CB-CB 3.91Å; C74-C108 WeakPolarHBondContact CB-SG 3.01Å; C74-C108 WeakPolarHBondContact SG-CB 3.32Å; C74-C108 CovalentContact SG-SG 2.03Å; C74-C108 PolarHBondContact SG-SG 3.4Å; L77-C108 HydrophobicContact CD1-CB 4.15Å; L77-C108 HydrophobicContact CD2-CB 4.36Å; V102-C108 WeakPolarHBondContact CG2-SG 3.44Å; C108-Q116 PolarHBondContact O-N 3.46Å
109V90.6Very high88.9Confident24 Ų2477 Ų7715%0.14541%0.409CS..EExtended strand (participates in β ladder)trans-116.2151.9178.3-64.10000110.5G72 L73 C74 K114G72-V109 PolarHBondContact O-N 2.83Å; L73-V109 CarbonylContact C-O 3.58Å; L73-V109 VanDerWaalsContact CA-O 3.29Å; L73-V109 WeakPolarHBondContact CA-O 3.04Å; C74-V109 PolarHBondContact N-O 2.76Å; C74-V109 PolarHBondContact SG-O 3.42Å; V109-K114 WeakPolarHBondContact CA-O 3.46Å
110D88.5Confident88.8Confident51 Ų5178.3 Ų78.327%0.27342%0.415SS..  trans-84.3179.8168.4-159.33.1000111D112 F113 K114 Q116D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D110-F113 PolarHBondContact O-N 3.26Å; D110-K114 PolarHBondContact N-O 3.37Å; D110-Q116 HydrophobicContact CB-CG 4.21Å; D110-Q116 PolarHBondContact OD2-NE2 3.13Å
111Q87.8Confident88.7Confident148 Ų14878.8 Ų78.869%0.69242%0.417SS*.THydrogen-bonded Turntrans-56.6-29177.4-67.5173.418.500112.9L73 F113L73-Q111 HydrophobicContact CD2-CG 4.2Å; Q111-F113 VanDerWaalsContact C-N 3.29Å; Q111-F113 PolarHBondContact O-N 3.42Å
112D88.5Confident88.7Confident116 Ų11682.5 Ų82.562%0.6243%0.432SS*.THydrogen-bonded Turntrans-88.317177.2-63.3-48.9000114D110 K114D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D112-K114 HydrophobicContact CB-CD 4.4Å; D112-K114 HydrophobicContact CB-CG 4.41Å; D112-K114 PolarHBondContact O-N 2.83Å
113F85.1Confident88.6Confident181 Ų18182.3 Ų82.379%0.79443%0.43SS*.SBendtrans57.618.7-176.3-62.5-84.6000114.9D110 Q111D110-F113 PolarHBondContact O-N 3.26Å; Q111-F113 VanDerWaalsContact C-N 3.29Å; Q111-F113 PolarHBondContact O-N 3.42Å
114K88.4Confident88.7Confident138 Ų13882.5 Ų82.560%0.644%0.437SS*.  trans-89133.7175.7-68.5176-175.3170.20109.8V109 D110 D112 Q116V109-K114 WeakPolarHBondContact CA-O 3.46Å; D110-K114 PolarHBondContact N-O 3.37Å; D112-K114 HydrophobicContact CB-CD 4.4Å; D112-K114 HydrophobicContact CB-CG 4.41Å; D112-K114 PolarHBondContact O-N 2.83Å; K114-Q116 PolarHBondContact O-N 2.8Å
115S86.3Confident89Confident105 Ų10578.3 Ų78.373%0.73441%0.41SS*.BIsolated β-bridgetrans-66.9125173.458.60000110.2
116Q86.2Confident89.6Confident65 Ų6576.1 Ų76.130%0.30439%0.386SS..  trans-122.2143.6175.5-68.5-174.7-1.300110.4C108 D110 K114C108-Q116 PolarHBondContact O-N 3.46Å; D110-Q116 HydrophobicContact CB-CG 4.21Å; D110-Q116 PolarHBondContact OD2-NE2 3.13Å; K114-Q116 PolarHBondContact O-N 2.8Å
117K88.4Confident90Very high171 Ų17178.8 Ų78.874%0.74340%0.397SS*.SBendtrans-98.4-35.2174-67.9-174.1179.4-178.70112.1A101 V102A101-K117 CarbonylContact C-O 3.59Å; A101-K117 VanDerWaalsContact CA-O 3.3Å; A101-K117 WeakPolarHBondContact CA-O 3Å; V102-K117 PolarHBondContact N-O 3.27Å
118N92.1Very high90.3Very high104 Ų10475.3 Ų75.356%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-119.1136.1179.6-56.3-22.2000108.1C100C100-N118 WeakPolarHBondContact O-CA 3.37Å
119F92.1Very high90.6Very high18 Ų1883 Ų838%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-156.1164.8-178.761.8-79.9000109.7C74 I82 C100 V102 I121C74-F119 HydrophobicContact CB-CB 4.45Å; C74-F119 HydrophobicContact CB-CD1 3.84Å; C74-F119 HydrophobicContact CB-CD2 3.89Å; C74-F119 HydrophobicContact CB-CE1 3.99Å; C74-F119 HydrophobicContact CB-CE2 3.99Å; C74-F119 HydrophobicContact CB-CG 3.79Å; C74-F119 HydrophobicContact CB-CZ 4.04Å; C74-F119 WeakPolarHBondContact O-CE2 3.01Å; C74-F119 VanDerWaalsContact O-CZ 3.29Å; C74-F119 WeakPolarHBondContact O-CZ 3.25Å; I82-F119 HydrophobicContact CG2-CE1 4.32Å; I82-F119 HydrophobicContact CG2-CZ 3.81Å; C100-F119 HydrophobicContact CB-CE1 4.4Å; C100-F119 HydrophobicContact CB-CE2 4.35Å; C100-F119 HydrophobicContact CB-CZ 4.18Å; C100-F119 PolarHBondContact N-O 3.41Å; C100-F119 PolarHBondContact O-N 2.89Å; C100-F119 VanDerWaalsContact O-O 3.12Å; V102-F119 HydrophobicContact CG2-CD1 4.2Å; V102-F119 HydrophobicContact CG2-CE1 3.61Å; F119-I121 HydrophobicContact CD2-CG2 3.61Å; F119-I121 HydrophobicContact CE2-CG2 3.29Å; F119-I121 HydrophobicContact CZ-CG2 4.45Å
120I91.6Very high90.8Very high115 Ų11584.6 Ų84.659%0.5941%0.41SS*.EExtended strand (participates in β ladder)trans-108.2132.1-177.3-58.1171.2000108.8T97 F98T97-I120 HydrophobicContact CG2-CG2 4.11Å; F98-I120 WeakPolarHBondContact O-CA 3.5Å
121I91.1Very high91.2Very high10 Ų1082.8 Ų82.85%0.05140%0.4CS..EExtended strand (participates in β ladder)trans-114.2145.5172.466.5-178.3000111I82 T97 F98 C100 F119 M123I82-I121 HydrophobicContact CD1-CD1 3.95Å; T97-I121 CarbonylContact C-O 3.55Å; T97-I121 VanDerWaalsContact CA-O 3.31Å; T97-I121 WeakPolarHBondContact CA-O 3.13Å; F98-I121 HydrophobicContact CB-CG1 4.5Å; F98-I121 PolarHBondContact N-O 3.29Å; F98-I121 PolarHBondContact O-N 2.99Å; C100-I121 WeakPolarHBondContact SG-CD1 3.14Å; C100-I121 VanDerWaalsContact SG-CG1 3.51Å; F119-I121 HydrophobicContact CD2-CG2 3.61Å; F119-I121 HydrophobicContact CE2-CG2 3.29Å; F119-I121 HydrophobicContact CZ-CG2 4.45Å; I121-M123 HydrophobicContact CD1-CE 3.34Å; I121-M123 HydrophobicContact CG1-CE 3.67Å
122N91.9Very high91.5Very high113 Ų11378.1 Ų78.160%0.60438%0.383SS*.EExtended strand (participates in β ladder)trans-100.8119.8173.7-173.4-0.5000109.1P95P95-N122 WeakPolarHBondContact CB-OD1 3.49Å
123M89.8Confident91.7Very high20 Ų2079.3 Ų79.310%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-133.9158.7175.270.5-179.482.300110.8V96 F98 I121 H165V96-M123 PolarHBondContact N-O 3.12Å; V96-M123 PolarHBondContact O-N 2.85Å; V96-M123 VanDerWaalsContact O-O 3.11Å; F98-M123 HydrophobicContact CB-CE 4.14Å; F98-M123 HydrophobicContact CD2-CE 3.52Å; F98-M123 HydrophobicContact CD2-CG 3.45Å; F98-M123 VanDerWaalsContact CD2-CG 3.45Å; F98-M123 HydrophobicContact CD2-SD 3.71Å; F98-M123 HydrophobicContact CE2-CE 4.15Å; F98-M123 HydrophobicContact CE2-CG 3.28Å; F98-M123 HydrophobicContact CE2-SD 3.68Å; F98-M123 HydrophobicContact CG-CE 3.97Å; F98-M123 HydrophobicContact CG-SD 4.49Å; F98-M123 HydrophobicContact CZ-CG 4.42Å; F98-M123 HydrophobicContact CZ-SD 4.45Å; I121-M123 HydrophobicContact CD1-CE 3.34Å; I121-M123 HydrophobicContact CG1-CE 3.67Å; M123-H165 HydrophobicContact CB-CB 4.04Å; M123-H165 HydrophobicContact CE-CB 3.75Å; M123-H165 HydrophobicContact CG-CB 4.49Å; M123-H165 HydrophobicContact SD-CB 3.7Å
124T92.8Very high92.2Very high68 Ų6875.2 Ų75.242%0.41738%0.375SS..EExtended strand (participates in β ladder)trans-76.6130.8175-57.70000109.6R126T124-R126 PolarHBondContact O-N 3.09Å
125C93.4Very high92.5Very high7 Ų770.2 Ų70.25%0.04735%0.354CS..  trans-63.7103.1175.2179.40000110.6C90 V91 Y92 G93 K94 V96C90-C125 HydrophobicContact CB-CB 3.64Å; C90-C125 WeakPolarHBondContact CB-SG 3.34Å; C90-C125 PolarHBondContact O-SG 2.74Å; C90-C125 VanDerWaalsContact O-SG 3.41Å; C90-C125 WeakPolarHBondContact SG-CB 3.18Å; C90-C125 CovalentContact SG-SG 2.02Å; C90-C125 PolarHBondContact SG-SG 3.39Å; V91-C125 WeakPolarHBondContact O-CB 3.2Å; Y92-C125 WeakPolarHBondContact CA-O 3.48Å; G93-C125 PolarHBondContact N-O 3.05Å; K94-C125 WeakPolarHBondContact O-CB 3.36Å; K94-C125 PolarHBondContact O-N 2.95Å; V96-C125 HydrophobicContact CG2-CB 4.15Å
126R94.4Very high93Very high52 Ų5265.9 Ų65.920%0.19632%0.322CS..  trans-159144.8177.567.2-168.3-51.9-165.211.1110.6Y92 T124 Q130 L131 P132 D135 L167Y92-R126 HydrophobicContact CD2-CB 4.33Å; Y92-R126 HydrophobicContact CE2-CB 3.96Å; T124-R126 PolarHBondContact O-N 3.09Å; R126-Q130 PolarHBondContact NH2-O 3.1Å; R126-L131 HydrophobicContact CG-CD1 3.8Å; R126-P132 VanDerWaalsContact NH1-CD 3.32Å; R126-D135 IonicContact NH1-OD2 2.54Å; R126-D135 PolarHBondContact NH1-OD2 3.18Å; R126-L167 PolarHBondContact O-N 3.11Å
127F94.5Very high93.4Very high72 Ų7268.7 Ų68.732%0.31634%0.335SS..BIsolated β-bridgetrans-78.4149.9173.3-68.7-79.3000111.7F88 W129 Q130 L131 L167F88-F127 AromaticContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CZ 4.2Å; F88-F127 HydrophobicContact CE1-CE1 4.17Å; F127-W129 HydrophobicContact CB-CG 4.37Å; F127-W129 HydrophobicContact CB-CZ2 4.47Å; F127-W129 VanDerWaalsContact CB-NE1 3.28Å; F127-W129 HydrophobicContact CD2-CZ2 4.48Å; F127-W129 AromaticContact CG-NE1 3.75Å; F127-W129 PolarHBondContact O-N 3.39Å; F127-Q130 HydrophobicContact CB-CG 4.26Å; F127-Q130 WeakPolarHBondContact O-CB 3.36Å; F127-Q130 PolarHBondContact O-N 3.2Å; F127-L131 WeakPolarHBondContact O-CD1 3.42Å; F127-L167 WeakPolarHBondContact CA-O 3.46Å; F127-L167 HydrophobicContact CD1-CB 3.82Å; F127-L167 HydrophobicContact CE1-CB 4.1Å; F127-L167 HydrophobicContact CG-CB 4.47Å
128C94.8Very high93.8Very high1 Ų162.2 Ų62.21%0.00731%0.311CS..G310 helixtrans-55-35.4-178.3-63.40000113.6Q130 V160 C166 L167 N169 F172C128-Q130 VanDerWaalsContact C-N 3.3Å; C128-Q130 PolarHBondContact O-N 2.78Å; C128-V160 HydrophobicContact CB-CG2 3.82Å; C128-C166 WeakPolarHBondContact CA-SG 2.9Å; C128-C166 HydrophobicContact CB-CB 3.94Å; C128-C166 WeakPolarHBondContact CB-SG 3.36Å; C128-C166 VanDerWaalsContact SG-C 3.57Å; C128-C166 WeakPolarHBondContact SG-CB 3.38Å; C128-C166 CovalentContact SG-SG 2.04Å; C128-C166 PolarHBondContact SG-SG 3.49Å; C128-L167 PolarHBondContact N-O 2.89Å; C128-L167 PolarHBondContact SG-O 3Å; C128-N169 WeakPolarHBondContact CB-O 3.28Å; C128-F172 HydrophobicContact CB-CD1 4.33Å; C128-F172 HydrophobicContact CB-CE1 4.47Å; C128-F172 WeakPolarHBondContact O-CE1 3.48Å; C128-F172 WeakPolarHBondContact O-CZ 3.42Å
129W94.9Very high93.9Very high164 Ų16460.8 Ų60.862%0.62131%0.306SS*.G310 helixtrans-77.9-9.217860.7-91.7000114.5F127 F172F127-W129 HydrophobicContact CB-CG 4.37Å; F127-W129 HydrophobicContact CB-CZ2 4.47Å; F127-W129 VanDerWaalsContact CB-NE1 3.28Å; F127-W129 HydrophobicContact CD2-CZ2 4.48Å; F127-W129 AromaticContact CG-NE1 3.75Å; F127-W129 PolarHBondContact O-N 3.39Å; W129-F172 HydrophobicContact CB-CB 4.26Å; W129-F172 HydrophobicContact CB-CD1 4.27Å; W129-F172 HydrophobicContact CB-CD2 3.82Å; W129-F172 HydrophobicContact CB-CE2 4.21Å; W129-F172 HydrophobicContact CB-CG 3.86Å
130Q95.3Very high93.8Very high58 Ų5865 Ų6527%0.27133%0.329SS..G310 helixtrans-100.612.2176.6-60178-58.400112.7Y92 R126 F127 C128Y92-Q130 HydrophobicContact CE2-CB 4.19Å; R126-Q130 PolarHBondContact NH2-O 3.1Å; F127-Q130 HydrophobicContact CB-CG 4.26Å; F127-Q130 WeakPolarHBondContact O-CB 3.36Å; F127-Q130 PolarHBondContact O-N 3.2Å; C128-Q130 VanDerWaalsContact C-N 3.3Å; C128-Q130 PolarHBondContact O-N 2.78Å
131L95Very high93.5Very high12 Ų1260.8 Ų60.86%0.06331%0.311CS..SBendtrans-69.3154.7174.5-9258.5000111.1R126 F127 D135 Y136 V160 V164 C166R126-L131 HydrophobicContact CG-CD1 3.8Å; F127-L131 WeakPolarHBondContact O-CD1 3.42Å; L131-D135 HydrophobicContact CB-CB 4.08Å; L131-D135 HydrophobicContact CD2-CB 3.75Å; L131-D135 HydrophobicContact CG-CB 4.02Å; L131-Y136 HydrophobicContact CB-CD1 3.84Å; L131-Y136 HydrophobicContact CB-CE1 4.31Å; L131-Y136 WeakPolarHBondContact O-CE1 3.41Å; L131-V160 HydrophobicContact CD2-CB 4.31Å; L131-V160 HydrophobicContact CD2-CG1 3.46Å; L131-V160 VanDerWaalsContact CD2-CG1 3.46Å; L131-V160 HydrophobicContact CD2-CG2 3.85Å; L131-V164 HydrophobicContact CD2-CB 4.46Å; L131-V164 HydrophobicContact CD2-CG1 3.62Å; L131-V164 HydrophobicContact CG-CG1 4.44Å; L131-C166 HydrophobicContact CD1-CB 3.88Å; L131-C166 HydrophobicContact CD2-CB 4.35Å
132P94.9Very high93.3Very high51 Ų5164.6 Ų64.633%0.33133%0.334SS..  trans-70.3163.8166.736.8-40.2000110.1R126 T134 D135 Y136R126-P132 VanDerWaalsContact NH1-CD 3.32Å; P132-T134 WeakPolarHBondContact CG-OG1 3.11Å; P132-T134 PolarHBondContact O-N 2.86Å; P132-T134 VanDerWaalsContact O-N 3.07Å; P132-D135 WeakPolarHBondContact CD-OD2 3.32Å; P132-D135 HydrophobicContact CG-CB 4.08Å; P132-D135 VanDerWaalsContact CG-CG 3.43Å; P132-D135 WeakPolarHBondContact CG-OD2 3.32Å; P132-D135 PolarHBondContact O-N 3.5Å; P132-D135 VanDerWaalsContact O-N 3.08Å; P132-Y136 WeakPolarHBondContact O-CD1 3.49Å; P132-Y136 WeakPolarHBondContact O-CE1 3.27Å
133E93.4Very high92.8Very high141 Ų14164.5 Ų64.566%0.65934%0.342SS*.THydrogen-bonded Turntrans-60.8-17.1179-76.1172.2-174.700114.5D135 Y136 K174E133-D135 VanDerWaalsContact C-N 3.34Å; E133-Y136 HydrophobicContact CG-CE2 4.38Å; E133-Y136 WeakPolarHBondContact CG-OH 3.07Å; E133-K174 IonicContact OE1-NZ 2.82Å; E133-K174 PolarHBondContact OE1-NZ 3.22Å
134T94.6Very high92.7Very high95 Ų9563.8 Ų63.858%0.58334%0.34SS*.THydrogen-bonded Turntrans-73.1-27.3176.253.10000113.2P132 R161P132-T134 WeakPolarHBondContact CG-OG1 3.11Å; P132-T134 PolarHBondContact O-N 2.86Å; P132-T134 VanDerWaalsContact O-N 3.07Å; T134-R161 PolarHBondContact O-NE 3.38Å
135D95.8Very high92.3Very high32 Ų3265.2 Ų65.217%0.17134%0.342CS..SBendtrans-99.3-3.5-164.5-63.3-3000112.8R126 L131 P132 E133 R161 V164R126-D135 IonicContact NH1-OD2 2.54Å; R126-D135 PolarHBondContact NH1-OD2 3.18Å; L131-D135 HydrophobicContact CB-CB 4.08Å; L131-D135 HydrophobicContact CD2-CB 3.75Å; L131-D135 HydrophobicContact CG-CB 4.02Å; P132-D135 WeakPolarHBondContact CD-OD2 3.32Å; P132-D135 HydrophobicContact CG-CB 4.08Å; P132-D135 VanDerWaalsContact CG-CG 3.43Å; P132-D135 WeakPolarHBondContact CG-OD2 3.32Å; P132-D135 PolarHBondContact O-N 3.5Å; P132-D135 VanDerWaalsContact O-N 3.08Å; E133-D135 VanDerWaalsContact C-N 3.34Å; D135-R161 WeakPolarHBondContact O-CG 3.45Å; D135-R161 PolarHBondContact O-N 2.91Å; D135-V164 HydrophobicContact CB-CG1 4.32Å; D135-V164 HydrophobicContact CB-CG2 4.09Å
136Y95.6Very high92Very high14 Ų1465 Ų656%0.05534%0.341CS..EExtended strand (participates in β ladder)trans-138161.1174.961.9-102.5000111L131 P132 E133 C138 C158 T159 F172 K174L131-Y136 HydrophobicContact CB-CD1 3.84Å; L131-Y136 HydrophobicContact CB-CE1 4.31Å; L131-Y136 WeakPolarHBondContact O-CE1 3.41Å; P132-Y136 WeakPolarHBondContact O-CD1 3.49Å; P132-Y136 WeakPolarHBondContact O-CE1 3.27Å; E133-Y136 HydrophobicContact CG-CE2 4.38Å; E133-Y136 WeakPolarHBondContact CG-OH 3.07Å; Y136-C138 WeakPolarHBondContact CD2-SG 3.42Å; Y136-C138 WeakPolarHBondContact CE2-SG 3.5Å; Y136-C158 HydrophobicContact CD2-CB 3.97Å; Y136-C158 HydrophobicContact CE2-CB 4.45Å; Y136-T159 CarbonylContact C-O 3.51Å; Y136-T159 WeakPolarHBondContact CA-O 3.48Å; Y136-T159 WeakPolarHBondContact CB-O 2.97Å; Y136-F172 AromaticContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD2-CZ 4.33Å; Y136-F172 HydrophobicContact CE1-CZ 4.19Å; Y136-F172 AromaticContact CG-CZ 3.92Å; Y136-F172 HydrophobicContact CG-CZ 3.92Å; Y136-K174 PolarHBondContact OH-NZ 3.27Å
137E96.2Very high91.5Very high125 Ų12566.9 Ų66.958%0.58436%0.358SS*.EExtended strand (participates in β ladder)trans-121.6138175.2-172.8169177.100109.1C158 T159E137-C158 CarbonylContact O-C 3.53Å; E137-C158 WeakPolarHBondContact O-CA 3.37Å; E137-T159 PolarHBondContact N-O 2.96Å; E137-T159 PolarHBondContact O-N 3.02Å; E137-T159 PolarHBondContact O-OG1 3.4Å
138C95.3Very high90.8Very high34 Ų3464.9 Ų64.923%0.2335%0.353CS..EExtended strand (participates in β ladder)trans-116147.8-178.6-55.90000111.1Y136 N140 A156 N157 C158 L176Y136-C138 WeakPolarHBondContact CD2-SG 3.42Å; Y136-C138 WeakPolarHBondContact CE2-SG 3.5Å; C138-N140 PolarHBondContact O-N 3.2Å; C138-A156 HydrophobicContact CB-CB 4.22Å; C138-N157 WeakPolarHBondContact CA-O 3.34Å; C138-C158 HydrophobicContact CB-CB 4.09Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.41Å; C138-L176 HydrophobicContact CB-CD1 3.59Å
139T93.9Very high90.2Very high75 Ų7571.3 Ų71.346%0.4640%0.397SS..  trans-62.7129.5173.255.60000111Y154 N157T139-Y154 PolarHBondContact O-OH 3.06Å; T139-Y154 VanDerWaalsContact O-OH 3.11Å; T139-N157 HydrophobicContact CG2-CB 4.32Å; T139-N157 PolarHBondContact N-O 2.94Å; T139-N157 PolarHBondContact OG1-N 3.41Å; T139-N157 VanDerWaalsContact OG1-N 3.1Å; T139-N157 PolarHBondContact OG1-O 3.24Å
140N90.6Very high89.8Confident105 Ų10569.3 Ų69.356%0.56141%0.405SS*.  trans-85.9142.2170.8-159-17.2000110.3C138C138-N140 PolarHBondContact O-N 3.2Å
141S86.4Confident89.4Confident28 Ų2873.2 Ų73.220%0.19642%0.417CS..  trans-113.2130.6174.3-174.10000110.3S143S141-S143 PolarHBondContact OG-N 3Å; S141-S143 PolarHBondContact OG-OG 3.45Å
142T85.5Confident89Confident90 Ų9076.6 Ų76.655%0.55243%0.433SS*.SBendtrans-92.1-11.4175.161.90000112.8C144 W180T142-C144 VanDerWaalsContact C-N 3.28Å; T142-C144 PolarHBondContact O-N 3.37Å; T142-W180 HydrophobicContact CG2-CD2 4.3Å; T142-W180 HydrophobicContact CG2-CG 4.18Å; T142-W180 HydrophobicContact CG2-CZ2 4.41Å; T142-W180 VanDerWaalsContact CG2-NE1 3.32Å
143S82.8Confident88.9Confident110 Ų11081.1 Ų81.177%0.76944%0.443SS*.SBendtrans-87.811.5-173.161.90000114.2S141S141-S143 PolarHBondContact OG-N 3Å; S141-S143 PolarHBondContact OG-OG 3.45Å
144C85.9Confident88.8Confident6 Ų675.6 Ų75.64%0.04142%0.416CS..SBendtrans-122.7149.8-174.777.10000113.2T142 C178T142-C144 VanDerWaalsContact C-N 3.28Å; T142-C144 PolarHBondContact O-N 3.37Å; C144-C178 HydrophobicContact CB-CB 4.16Å; C144-C178 WeakPolarHBondContact CB-SG 3.46Å; C144-C178 WeakPolarHBondContact SG-CB 3.46Å; C144-C178 CovalentContact SG-SG 2.03Å; C144-C178 PolarHBondContact SG-SG 2.84Å
145M85Confident88.8Confident97 Ų9775.6 Ų75.648%0.47842%0.418SS..  trans-85.6116.3-173.4-64.4178.9176.900111S148M145-S148 PolarHBondContact O-OG 2.95Å
146T86.9Confident88.7Confident3 Ų374 Ų742%0.01841%0.41CS..SBendtrans-73.6-37.6178.1-60.20000112.1C178 W180 G243 L245T146-C178 WeakPolarHBondContact CG2-O 3.49Å; T146-W180 PolarHBondContact OG1-N 2.89Å; T146-W180 VanDerWaalsContact OG1-N 3.09Å; T146-W180 PolarHBondContact OG1-O 3.01Å; T146-G243 WeakPolarHBondContact CA-O 3.46Å; T146-G243 WeakPolarHBondContact CB-O 3.44Å; T146-G243 PolarHBondContact N-O 3.27Å; T146-L245 HydrophobicContact CG2-CB 4.03Å; T146-L245 HydrophobicContact CG2-CD1 4.04Å
147V83.9Confident88.8Confident91 Ų9178.2 Ų78.255%0.55243%0.433SS*.SBendtrans-103.783.9179.6-169.40000109G243V147-G243 PolarHBondContact N-O 3.39Å
148S80.9Confident88.8Confident30 Ų3072.2 Ų72.221%0.2141%0.405CS..  trans-136.3149.2178.448.50000110.3M145 P150 R151 Q152M145-S148 PolarHBondContact O-OG 2.95Å; S148-P150 CarbonylContact C-O 3.22Å; S148-P150 CarbonylContact O-C 3.53Å; S148-P150 VanDerWaalsContact O-C 3.23Å; S148-P150 PolarHBondContact OG-O 2.77Å; S148-R151 VanDerWaalsContact O-CA 3.3Å; S148-R151 WeakPolarHBondContact O-CA 3.49Å; S148-R151 PolarHBondContact O-N 3Å; S148-Q152 WeakPolarHBondContact OG-CB 3.28Å; S148-Q152 PolarHBondContact OG-N 2.03Å
149C81.4Confident88.8Confident137 Ų13773.8 Ų73.893%0.92641%0.413SS*.SBendtrans-122.5111.6175.1-76.40000109.6
150P85.6Confident88.9Confident122 Ų12270.5 Ų70.579%0.79239%0.393SS*.SBendcis-69.5158.4-2.231-35.8000112.8S148 Q152S148-P150 CarbonylContact C-O 3.22Å; S148-P150 CarbonylContact O-C 3.53Å; S148-P150 VanDerWaalsContact O-C 3.23Å; S148-P150 PolarHBondContact OG-O 2.77Å; P150-Q152 PolarHBondContact O-N 2.86Å
151R87.2Confident89.1Confident140 Ų14070.8 Ų70.853%0.52839%0.386SS..PPolyproline II helixtrans-61.5118.3-177.3-132.2-175.4170.4-171.5-3.9111.1S148 Y177S148-R151 VanDerWaalsContact O-CA 3.3Å; S148-R151 WeakPolarHBondContact O-CA 3.49Å; S148-R151 PolarHBondContact O-N 3Å; R151-Y177 HydrophobicContact CB-CD1 4.33Å; R151-Y177 HydrophobicContact CB-CE1 4.25Å
152Q88.3Confident89.3Confident83 Ų8373.4 Ų73.439%0.38840%0.398SS..PPolyproline II helixtrans-65.6141.7-176.4-169.3176-11.800111.9S148 P150 C178S148-Q152 WeakPolarHBondContact OG-CB 3.28Å; S148-Q152 PolarHBondContact OG-N 2.03Å; P150-Q152 PolarHBondContact O-N 2.86Å; Q152-C178 PolarHBondContact O-N 2.84Å
153R91.6Very high89.5Confident146 Ų14675.5 Ų75.555%0.55140%0.401SS*.EExtended strand (participates in β ladder)trans-113.9150.7171-66.8-179174.8-178.9-1.2109.7L176 Y177R153-L176 CarbonylContact C-O 3.55Å; R153-L176 WeakPolarHBondContact CA-O 3.3Å; R153-Y177 HydrophobicContact CG-CD1 3.8Å; R153-Y177 HydrophobicContact CG-CE1 3.83Å; R153-Y177 HydrophobicContact CG-CG 4.46Å; R153-Y177 PolarHBondContact NE-OH 3.49Å; R153-Y177 PolarHBondContact NH2-OH 2.78Å
154Y91.6Very high89.9Confident24 Ų2471.1 Ų71.19%0.09437%0.37CS..EExtended strand (participates in β ladder)trans-130.4147.5176.275.4-82.3000111.1T139 A156 L176 C178T139-Y154 PolarHBondContact O-OH 3.06Å; T139-Y154 VanDerWaalsContact O-OH 3.11Å; Y154-A156 HydrophobicContact CD2-CB 4.23Å; Y154-A156 HydrophobicContact CE2-CB 3.6Å; Y154-A156 PolarHBondContact O-N 3.27Å; Y154-L176 HydrophobicContact CD1-CB 4.45Å; Y154-L176 WeakPolarHBondContact CD1-O 3.41Å; Y154-L176 HydrophobicContact CE1-CB 3.89Å; Y154-L176 PolarHBondContact N-O 3.01Å; Y154-L176 PolarHBondContact O-N 3.19Å; Y154-C178 HydrophobicContact CD1-CB 4.49Å; Y154-C178 VanDerWaalsContact CD1-SG 3.58Å
155P94.2Very high90.2Very high95 Ų9572.6 Ų72.662%0.61738%0.376SS*.EExtended strand (participates in β ladder)trans-73.7118.4171.830-32000109.2M175P155-M175 HydrophobicContact CB-CE 4.32Å; P155-M175 HydrophobicContact CB-SD 4.2Å
156A94.8Very high90.6Very high0 Ų068.8 Ų68.80%036%0.359CS..EExtended strand (participates in β ladder)trans-108.1143.7174.200000110.2C138 Y154 P173 K174 L176C138-A156 HydrophobicContact CB-CB 4.22Å; Y154-A156 HydrophobicContact CD2-CB 4.23Å; Y154-A156 HydrophobicContact CE2-CB 3.6Å; Y154-A156 PolarHBondContact O-N 3.27Å; A156-P173 CarbonylContact O-C 3.23Å; A156-P173 WeakPolarHBondContact O-CA 3.37Å; A156-K174 PolarHBondContact N-O 3.24Å; A156-K174 PolarHBondContact O-N 2.89Å; A156-L176 HydrophobicContact CB-CB 4.47Å; A156-L176 HydrophobicContact CB-CD1 3.59Å; A156-L176 HydrophobicContact CB-CG 4.01Å
157N96.3Very high90.9Very high101 Ų10168.8 Ų68.854%0.5436%0.359SS..EExtended strand (participates in β ladder)trans-88.5119.1168.8-71.5-27.1000108.3C138 T139C138-N157 WeakPolarHBondContact CA-O 3.34Å; T139-N157 HydrophobicContact CG2-CB 4.32Å; T139-N157 PolarHBondContact N-O 2.94Å; T139-N157 PolarHBondContact OG1-N 3.41Å; T139-N157 VanDerWaalsContact OG1-N 3.1Å; T139-N157 PolarHBondContact OG1-O 3.24Å
158C96Very high91.3Very high0 Ų066.5 Ų66.50%035%0.354CS..EExtended strand (participates in β ladder)trans-105.2132.7179.1-590000110Y136 E137 C138 T171 F172 K174Y136-C158 HydrophobicContact CD2-CB 3.97Å; Y136-C158 HydrophobicContact CE2-CB 4.45Å; E137-C158 CarbonylContact O-C 3.53Å; E137-C158 WeakPolarHBondContact O-CA 3.37Å; C138-C158 HydrophobicContact CB-CB 4.09Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.41Å; C158-T171 CarbonylContact O-C 3.37Å; C158-T171 WeakPolarHBondContact O-CA 3.21Å; C158-F172 HydrophobicContact CB-CD2 4.05Å; C158-F172 HydrophobicContact CB-CE1 4.24Å; C158-F172 HydrophobicContact CB-CE2 3.62Å; C158-F172 HydrophobicContact CB-CZ 3.73Å; C158-F172 PolarHBondContact N-O 3.17Å; C158-F172 PolarHBondContact O-N 2.97Å; C158-K174 VanDerWaalsContact SG-CB 3.59Å
159T96.4Very high91.9Very high66 Ų6670.4 Ų70.441%0.40537%0.372SS..EExtended strand (participates in β ladder)trans-117.9125.5-179.859.50000109.5Y136 E137 T171Y136-T159 CarbonylContact C-O 3.51Å; Y136-T159 WeakPolarHBondContact CA-O 3.48Å; Y136-T159 WeakPolarHBondContact CB-O 2.97Å; E137-T159 PolarHBondContact N-O 2.96Å; E137-T159 PolarHBondContact O-N 3.02Å; E137-T159 PolarHBondContact O-OG1 3.4Å; T159-T171 HydrophobicContact CG2-CG2 3.73Å
160V96.5Very high92.4Very high6 Ų665.7 Ų65.74%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-66.7142.1177.5179.40000110.9C128 L131 V164 R170 F172C128-V160 HydrophobicContact CB-CG2 3.82Å; L131-V160 HydrophobicContact CD2-CB 4.31Å; L131-V160 HydrophobicContact CD2-CG1 3.46Å; L131-V160 VanDerWaalsContact CD2-CG1 3.46Å; L131-V160 HydrophobicContact CD2-CG2 3.85Å; V160-V164 HydrophobicContact CG1-CB 3.85Å; V160-V164 HydrophobicContact CG1-CG1 4.18Å; V160-R170 PolarHBondContact N-O 3.29Å; V160-R170 PolarHBondContact O-NH2 3.08Å; V160-R170 VanDerWaalsContact O-NH2 3.17Å; V160-F172 HydrophobicContact CG2-CD1 4.5Å; V160-F172 HydrophobicContact CG2-CE1 3.8Å
161R94.6Very high92.9Very high112 Ų11263.4 Ų63.442%0.42332%0.319SS..  trans-63.7148.3176.6-65.9-176.3-176.5-92.7-1.6111.8T134 D135 H163 V164 R170T134-R161 PolarHBondContact O-NE 3.38Å; D135-R161 WeakPolarHBondContact O-CG 3.45Å; D135-R161 PolarHBondContact O-N 2.91Å; R161-H163 VanDerWaalsContact C-N 3.3Å; R161-H163 PolarHBondContact O-N 3.46Å; R161-V164 HydrophobicContact CB-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.07Å; R161-R170 PolarHBondContact O-NH2 3.42Å
162D90.5Very high93.3Very high82 Ų8257.5 Ų57.544%0.43930%0.297SS..THydrogen-bonded Turntrans-61.6-32.1-170.3-66.5-19.6000115.2P78 A79 V164P78-D162 HydrophobicContact CB-CB 4.19Å; A79-D162 PolarHBondContact N-O 3.22Å; D162-V164 VanDerWaalsContact C-N 3.31Å
163H89.1Confident93.7Very high135 Ų13558.6 Ų58.663%0.62531%0.311SS*.THydrogen-bonded Turntrans-82.8-6179.865.3-89.2000113.6R161R161-H163 VanDerWaalsContact C-N 3.3Å; R161-H163 PolarHBondContact O-N 3.46Å
164V92.2Very high93.8Very high18 Ų1854.7 Ų54.711%0.10930%0.298CS..  trans-102.1118.6-179.1-173.20000109.2L131 D135 V160 R161 D162 R170L131-V164 HydrophobicContact CD2-CB 4.46Å; L131-V164 HydrophobicContact CD2-CG1 3.62Å; L131-V164 HydrophobicContact CG-CG1 4.44Å; D135-V164 HydrophobicContact CB-CG1 4.32Å; D135-V164 HydrophobicContact CB-CG2 4.09Å; V160-V164 HydrophobicContact CG1-CB 3.85Å; V160-V164 HydrophobicContact CG1-CG1 4.18Å; R161-V164 HydrophobicContact CB-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.07Å; D162-V164 VanDerWaalsContact C-N 3.31Å; V164-R170 PolarHBondContact O-NH1 3.24Å
165H91.8Very high93.9Very high37 Ų3759.2 Ų59.217%0.17132%0.322CS..  trans-91.3131.7174.3-56.8-76.2000110.2L77 M123L77-H165 PolarHBondContact O-CE1 3.38Å; M123-H165 HydrophobicContact CB-CB 4.04Å; M123-H165 HydrophobicContact CE-CB 3.75Å; M123-H165 HydrophobicContact CG-CB 4.49Å; M123-H165 HydrophobicContact SD-CB 3.7Å
166C93.4Very high93.8Very high17 Ų1756.4 Ų56.412%0.11530%0.302CS..  trans-149.3161.4-176.559.20000110.6C128 L131C128-C166 WeakPolarHBondContact CA-SG 2.9Å; C128-C166 HydrophobicContact CB-CB 3.94Å; C128-C166 WeakPolarHBondContact CB-SG 3.36Å; C128-C166 VanDerWaalsContact SG-C 3.57Å; C128-C166 WeakPolarHBondContact SG-CB 3.38Å; C128-C166 CovalentContact SG-SG 2.04Å; C128-C166 PolarHBondContact SG-SG 3.49Å; L131-C166 HydrophobicContact CD1-CB 3.88Å; L131-C166 HydrophobicContact CD2-CB 4.35Å
167L93Very high93.6Very high2 Ų262 Ų621%0.0132%0.323CS..BIsolated β-bridgetrans-88.2141.2-179.3-62.5166.6000111.7T86 F88 F98 R126 F127 C128T86-L167 HydrophobicContact CG2-CD2 3.93Å; F88-L167 HydrophobicContact CD1-CB 4.49Å; F88-L167 HydrophobicContact CE1-CB 4.39Å; F98-L167 HydrophobicContact CE1-CD2 3.9Å; F98-L167 HydrophobicContact CZ-CD2 3.88Å; R126-L167 PolarHBondContact O-N 3.11Å; F127-L167 WeakPolarHBondContact CA-O 3.46Å; F127-L167 HydrophobicContact CD1-CB 3.82Å; F127-L167 HydrophobicContact CE1-CB 4.1Å; F127-L167 HydrophobicContact CG-CB 4.47Å; C128-L167 PolarHBondContact N-O 2.89Å; C128-L167 PolarHBondContact SG-O 3Å
168G91.8Very high93.3Very high44 Ų4457.2 Ų57.245%0.45430%0.298SS..SBendtrans87.8-157.9176.400000113.6R170G168-R170 PolarHBondContact O-N 3.3Å
169N93.3Very high92.9Very high112 Ų11262.1 Ų62.160%0.59932%0.324SS*.  trans-72.6128.4-179.1-169.42.1000111.1C128 T171C128-N169 WeakPolarHBondContact CB-O 3.28Å; N169-T171 PolarHBondContact ND2-O 3Å; N169-T171 PolarHBondContact ND2-OG1 3.35Å; N169-T171 PolarHBondContact O-N 3.12Å; N169-T171 PolarHBondContact OD1-N 2.9Å; N169-T171 VanDerWaalsContact OD1-N 3.13Å; N169-T171 PolarHBondContact OD1-OG1 3.47Å
170R93.2Very high92.5Very high37 Ų3762.5 Ų62.514%0.1432%0.318CS..SBendtrans-71.8-19.4178.5-63179.461.570.42.1112.9A79 D80 V160 R161 V164 G168A79-R170 VanDerWaalsContact CB-CZ 3.42Å; A79-R170 VanDerWaalsContact CB-NH1 3.28Å; D80-R170 IonicContact OD1-NE 3.25Å; V160-R170 PolarHBondContact N-O 3.29Å; V160-R170 PolarHBondContact O-NH2 3.08Å; V160-R170 VanDerWaalsContact O-NH2 3.17Å; R161-R170 PolarHBondContact O-NH2 3.42Å; V164-R170 PolarHBondContact O-NH1 3.24Å; G168-R170 PolarHBondContact O-N 3.3Å
171T95.8Very high92.2Very high74 Ų7464.9 Ų64.945%0.45433%0.333SS..EExtended strand (participates in β ladder)trans-106.8124173.363.30000109.6C158 T159 N169C158-T171 CarbonylContact O-C 3.37Å; C158-T171 WeakPolarHBondContact O-CA 3.21Å; T159-T171 HydrophobicContact CG2-CG2 3.73Å; N169-T171 PolarHBondContact ND2-O 3Å; N169-T171 PolarHBondContact ND2-OG1 3.35Å; N169-T171 PolarHBondContact O-N 3.12Å; N169-T171 PolarHBondContact OD1-N 2.9Å; N169-T171 VanDerWaalsContact OD1-N 3.13Å; N169-T171 PolarHBondContact OD1-OG1 3.47Å
172F96Very high91.8Very high17 Ų1760.9 Ų60.98%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-142.1143.9-177.159.7-90.7000111.9C128 W129 Y136 C158 V160 K174C128-F172 HydrophobicContact CB-CD1 4.33Å; C128-F172 HydrophobicContact CB-CE1 4.47Å; C128-F172 WeakPolarHBondContact O-CE1 3.48Å; C128-F172 WeakPolarHBondContact O-CZ 3.42Å; W129-F172 HydrophobicContact CB-CB 4.26Å; W129-F172 HydrophobicContact CB-CD1 4.27Å; W129-F172 HydrophobicContact CB-CD2 3.82Å; W129-F172 HydrophobicContact CB-CE2 4.21Å; W129-F172 HydrophobicContact CB-CG 3.86Å; Y136-F172 AromaticContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD2-CZ 4.33Å; Y136-F172 HydrophobicContact CE1-CZ 4.19Å; Y136-F172 AromaticContact CG-CZ 3.92Å; Y136-F172 HydrophobicContact CG-CZ 3.92Å; C158-F172 HydrophobicContact CB-CD2 4.05Å; C158-F172 HydrophobicContact CB-CE1 4.24Å; C158-F172 HydrophobicContact CB-CE2 3.62Å; C158-F172 HydrophobicContact CB-CZ 3.73Å; C158-F172 PolarHBondContact N-O 3.17Å; C158-F172 PolarHBondContact O-N 2.97Å; V160-F172 HydrophobicContact CG2-CD1 4.5Å; V160-F172 HydrophobicContact CG2-CE1 3.8Å; F172-K174 HydrophobicContact CE2-CB 4.39Å
173P95.3Very high91.8Very high105 Ų10559 Ų5968%0.68233%0.327SS*.EExtended strand (participates in β ladder)trans-75.8135.2174.330.4-33.1000110.6A156A156-P173 CarbonylContact O-C 3.23Å; A156-P173 WeakPolarHBondContact O-CA 3.37Å
174K94.4Very high91.9Very high64 Ų6454.6 Ų54.628%0.27831%0.305SS..EExtended strand (participates in β ladder)trans-132.5138.7172.7-165.2-179.3178.8-162.70110E133 Y136 A156 C158 F172 L176E133-K174 IonicContact OE1-NZ 2.82Å; E133-K174 PolarHBondContact OE1-NZ 3.22Å; Y136-K174 PolarHBondContact OH-NZ 3.27Å; A156-K174 PolarHBondContact N-O 3.24Å; A156-K174 PolarHBondContact O-N 2.89Å; C158-K174 VanDerWaalsContact SG-CB 3.59Å; F172-K174 HydrophobicContact CE2-CB 4.39Å; K174-L176 HydrophobicContact CD-CD2 3.98Å; K174-L176 HydrophobicContact CG-CD2 4.29Å; K174-L176 PolarHBondContact O-N 3.39Å
175M93.1Very high92Very high120 Ų12059 Ų5959%0.59132%0.323SS*.EExtended strand (participates in β ladder)trans-79.7113172.3-69.8-67.7-178.200109.5P155P155-M175 HydrophobicContact CB-CE 4.32Å; P155-M175 HydrophobicContact CB-SD 4.2Å
176L92.2Very high92.1Very high36 Ų3662.1 Ų62.119%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-110.2156.6177.6-64.4-179.6000110.8C138 R153 Y154 A156 K174C138-L176 HydrophobicContact CB-CD1 3.59Å; R153-L176 CarbonylContact C-O 3.55Å; R153-L176 WeakPolarHBondContact CA-O 3.3Å; Y154-L176 HydrophobicContact CD1-CB 4.45Å; Y154-L176 WeakPolarHBondContact CD1-O 3.41Å; Y154-L176 HydrophobicContact CE1-CB 3.89Å; Y154-L176 PolarHBondContact N-O 3.01Å; Y154-L176 PolarHBondContact O-N 3.19Å; A156-L176 HydrophobicContact CB-CB 4.47Å; A156-L176 HydrophobicContact CB-CD1 3.59Å; A156-L176 HydrophobicContact CB-CG 4.01Å; K174-L176 HydrophobicContact CD-CD2 3.98Å; K174-L176 HydrophobicContact CG-CD2 4.29Å; K174-L176 PolarHBondContact O-N 3.39Å
177Y90.6Very high92.1Very high116 Ų11664.8 Ų64.846%0.45535%0.352SS..EExtended strand (participates in β ladder)trans-77.7141.1169.4-73.6-75.6000110.1R151 R153 N179R151-Y177 HydrophobicContact CB-CD1 4.33Å; R151-Y177 HydrophobicContact CB-CE1 4.25Å; R153-Y177 HydrophobicContact CG-CD1 3.8Å; R153-Y177 HydrophobicContact CG-CE1 3.83Å; R153-Y177 HydrophobicContact CG-CG 4.46Å; R153-Y177 PolarHBondContact NE-OH 3.49Å; R153-Y177 PolarHBondContact NH2-OH 2.78Å; Y177-N179 PolarHBondContact O-N 3.33Å
178C89.5Confident92.2Very high2 Ų267.1 Ų67.11%0.01437%0.366CS..  trans-61.6123.3172.3-69.70000110.3C144 T146 Q152 Y154C144-C178 HydrophobicContact CB-CB 4.16Å; C144-C178 WeakPolarHBondContact CB-SG 3.46Å; C144-C178 WeakPolarHBondContact SG-CB 3.46Å; C144-C178 CovalentContact SG-SG 2.03Å; C144-C178 PolarHBondContact SG-SG 2.84Å; T146-C178 WeakPolarHBondContact CG2-O 3.49Å; Q152-C178 PolarHBondContact O-N 2.84Å; Y154-C178 HydrophobicContact CD1-CB 4.49Å; Y154-C178 VanDerWaalsContact CD1-SG 3.58Å
179N88.9Confident92.3Very high102 Ų10265 Ų6555%0.54535%0.345SS..  trans-141.284.1175.9-169.610.4000108.7Y177Y177-N179 PolarHBondContact O-N 3.33Å
180W88.1Confident92.3Very high75 Ų7561.6 Ų61.628%0.28433%0.326SS..  trans-137.6146.1178.7-178.576.2000111.4T142 T146 G182 L245T142-W180 HydrophobicContact CG2-CD2 4.3Å; T142-W180 HydrophobicContact CG2-CG 4.18Å; T142-W180 HydrophobicContact CG2-CZ2 4.41Å; T142-W180 VanDerWaalsContact CG2-NE1 3.32Å; T146-W180 PolarHBondContact OG1-N 2.89Å; T146-W180 VanDerWaalsContact OG1-N 3.09Å; T146-W180 PolarHBondContact OG1-O 3.01Å; W180-G182 VanDerWaalsContact CH2-CA 3.43Å; W180-L245 PolarHBondContact O-N 3.44Å
181T90.4Very high92.4Very high55 Ų5562.1 Ų62.134%0.33734%0.338SS..  trans-117.4128.1-177.354.10000109.8G183 L245 I247T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3Å; T181-L245 HydrophobicContact CG2-CB 4.13Å; T181-L245 HydrophobicContact CG2-CD2 4.38Å; T181-I247 HydrophobicContact CG2-CD1 4.46Å; T181-I247 HydrophobicContact CG2-CG1 3.97Å
182G86.2Confident92.3Very high28 Ų2860.5 Ų60.529%0.28933%0.327SS..  trans-85.97.9179.700000114.7W180 Y184 S244W180-G182 VanDerWaalsContact CH2-CA 3.43Å; G182-Y184 VanDerWaalsContact C-N 3.33Å; G182-S244 WeakPolarHBondContact CA-OG 3.26Å; G182-S244 PolarHBondContact N-OG 3Å; G182-S244 VanDerWaalsContact N-OG 3.08Å
183G90Very high92.2Very high44 Ų4459.7 Ų59.745%0.45432%0.323SS..SBendtrans84.71.8-177.800000114.8T181 K185T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3Å; G183-K185 PolarHBondContact O-N 3.21Å
184Y90.5Very high92Very high41 Ų4159.7 Ų59.716%0.16132%0.316CS..  trans-73124.7177.9-58-80.3000110.8G182 Y205 P240 D242 Y246 I247G182-Y184 VanDerWaalsContact C-N 3.33Å; Y184-Y205 HydrophobicContact CD1-CE1 4.13Å; Y184-Y205 WeakPolarHBondContact CD1-O 3.34Å; Y184-Y205 WeakPolarHBondContact CE1-O 3.29Å; Y184-P240 HydrophobicContact CD2-CB 3.45Å; Y184-P240 VanDerWaalsContact CD2-CB 3.45Å; Y184-P240 HydrophobicContact CD2-CG 3.46Å; Y184-P240 VanDerWaalsContact CD2-CG 3.46Å; Y184-P240 HydrophobicContact CE2-CB 3.6Å; Y184-P240 HydrophobicContact CE2-CG 4.16Å; Y184-P240 HydrophobicContact CG-CB 3.95Å; Y184-P240 HydrophobicContact CG-CG 3.71Å; Y184-D242 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D242 PolarHBondContact OH-OD2 3.03Å; Y184-Y246 WeakPolarHBondContact O-CA 3.25Å; Y184-I247 PolarHBondContact O-N 3.24Å
185K94.1Very high91.9Very high111 Ų11161.5 Ų61.548%0.48333%0.333SS..  trans-93.3127.6177.3-67-173.2178.2-175.30110.4G183 S187 T188 A189 Y205 I247G183-K185 PolarHBondContact O-N 3.21Å; K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.41Å; K185-T188 PolarHBondContact O-N 3.2Å; K185-A189 PolarHBondContact O-N 2.96Å; K185-A189 VanDerWaalsContact O-N 3.12Å; K185-Y205 PolarHBondContact N-OH 2.87Å; K185-I247 WeakPolarHBondContact CA-O 3.47Å
186W93.8Very high91.8Very high103 Ų10359.5 Ų59.539%0.3932%0.324SS..Hα-helixtrans-60.7-42.5179.3177.980.1000111.8T188 A189 L190 I233 Y246 I247W186-T188 VanDerWaalsContact C-N 3.3Å; W186-T188 PolarHBondContact O-N 3.36Å; W186-A189 PolarHBondContact O-N 3.49Å; W186-L190 HydrophobicContact CH2-CD1 3.75Å; W186-L190 HydrophobicContact CZ2-CD1 3.64Å; W186-L190 HydrophobicContact CZ3-CD1 4.41Å; W186-L190 WeakPolarHBondContact O-CB 3.29Å; W186-L190 PolarHBondContact O-N 2.75Å; W186-I233 PolarHBondContact NE1-O 3.32Å; W186-Y246 HydrophobicContact CB-CD1 4.1Å; W186-Y246 HydrophobicContact CB-CD2 4.48Å; W186-Y246 HydrophobicContact CB-CG 3.95Å; W186-I247 PolarHBondContact N-O 3.27Å
187S93.9Very high91.4Very high73 Ų7357.8 Ų57.851%0.5132%0.315SS..Hα-helixtrans-61.2-38.317963.20000112.8K185 L190 A191K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.41Å; S187-L190 PolarHBondContact O-N 3.03Å; S187-A191 WeakPolarHBondContact O-CB 3.22Å; S187-A191 PolarHBondContact O-N 3.32Å
188T94.5Very high91.2Very high50 Ų5053.1 Ų53.131%0.30730%0.303SS..Hα-helixtrans-70.7-44179.4-56.20000110.6K185 W186 L190 A191 L192 Y205K185-T188 PolarHBondContact O-N 3.2Å; W186-T188 VanDerWaalsContact C-N 3.3Å; W186-T188 PolarHBondContact O-N 3.36Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 2.85Å; T188-A191 PolarHBondContact O-N 3.17Å; T188-L192 HydrophobicContact CG2-CD1 4.04Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CB 3.4Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 3.5Å; T188-L192 PolarHBondContact O-N 3.13Å; T188-Y205 HydrophobicContact CG2-CE1 4.4Å; T188-Y205 HydrophobicContact CG2-CE2 4.2Å
189A93.9Very high91.1Very high0 Ų059.2 Ų59.20%033%0.329CS..Hα-helixtrans-57.7-43.317500000111.3K185 W186 L192 S193 Y205 L206 I233 Y246K185-A189 PolarHBondContact O-N 2.96Å; K185-A189 VanDerWaalsContact O-N 3.12Å; W186-A189 PolarHBondContact O-N 3.49Å; A189-L192 PolarHBondContact O-N 2.73Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-Y205 HydrophobicContact CB-CD1 3.97Å; A189-Y205 HydrophobicContact CB-CE1 4.06Å; A189-L206 HydrophobicContact CB-CD2 4.3Å; A189-I233 HydrophobicContact CB-CG2 4.15Å; A189-Y246 HydrophobicContact CB-CE1 4.31Å
190L94.5Very high91.1Very high40 Ų4054.3 Ų54.321%0.20930%0.303CS..Hα-helixtrans-66.7-44.5177.6-172.4138.9000112.3W186 S187 T188 L192 S193 I194 I233W186-L190 HydrophobicContact CH2-CD1 3.75Å; W186-L190 HydrophobicContact CZ2-CD1 3.64Å; W186-L190 HydrophobicContact CZ3-CD1 4.41Å; W186-L190 WeakPolarHBondContact O-CB 3.29Å; W186-L190 PolarHBondContact O-N 2.75Å; S187-L190 PolarHBondContact O-N 3.03Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 2.85Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L190-L192 PolarHBondContact O-N 3.09Å; L190-S193 WeakPolarHBondContact O-CB 3.46Å; L190-S193 PolarHBondContact O-N 3.12Å; L190-I194 HydrophobicContact CD2-CD1 3.64Å; L190-I194 HydrophobicContact CG-CD1 4.41Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.67Å; L190-I194 VanDerWaalsContact O-N 3.07Å; L190-I233 HydrophobicContact CB-CG2 4.26Å
191A95.6Very high91.3Very high48 Ų4852 Ų5240%0.39730%0.299SS..Hα-helixtrans-62.5-41176.800000112.4S187 T188 S193 I194 T195S187-A191 WeakPolarHBondContact O-CB 3.22Å; S187-A191 PolarHBondContact O-N 3.32Å; T188-A191 PolarHBondContact O-N 3.17Å; A191-S193 VanDerWaalsContact C-N 3.34Å; A191-I194 PolarHBondContact O-N 2.54Å; A191-T195 PolarHBondContact O-N 2.82Å; A191-T195 PolarHBondContact O-OG1 2.69Å
192L93.4Very high91.3Very high41 Ų4149.3 Ų49.322%0.21528%0.283CS..Hα-helixtrans-66.7-35.7175.5-71.6175.8000111.9T188 A189 L190 L196 G197 Y205T188-L192 HydrophobicContact CG2-CD1 4.04Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CB 3.4Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 3.5Å; T188-L192 PolarHBondContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 2.73Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L190-L192 PolarHBondContact O-N 3.09Å; L192-L196 HydrophobicContact CD2-CD1 4.01Å; L192-L196 CarbonylContact O-C 3.53Å; L192-L196 VanDerWaalsContact O-C 3.22Å; L192-L196 VanDerWaalsContact O-CA 3.31Å; L192-L196 WeakPolarHBondContact O-CA 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å; L192-G197 PolarHBondContact O-N 3.39Å; L192-Y205 HydrophobicContact CD1-CD1 4.31Å; L192-Y205 HydrophobicContact CD1-CD2 4Å; L192-Y205 HydrophobicContact CD1-CG 3.73Å
193S92.6Very high91.6Very high0 Ų048.3 Ų48.30%027%0.271CS..Hα-helixtrans-64.5-41.6175.5-167.70000112A189 L190 A191 G197 D229 V230A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; L190-S193 WeakPolarHBondContact O-CB 3.46Å; L190-S193 PolarHBondContact O-N 3.12Å; A191-S193 VanDerWaalsContact C-N 3.34Å; S193-G197 VanDerWaalsContact O-CA 3.23Å; S193-G197 WeakPolarHBondContact O-CA 3.35Å; S193-G197 PolarHBondContact O-N 2.88Å; S193-G197 VanDerWaalsContact O-N 3.13Å; S193-D229 VanDerWaalsContact OG-CB 3.31Å; S193-D229 WeakPolarHBondContact OG-CB 3.35Å; S193-V230 WeakPolarHBondContact OG-CG2 3.44Å; S193-V230 PolarHBondContact OG-N 3.15Å
194I92.4Very high91.7Very high104 Ų10450.2 Ų50.253%0.53327%0.267SS..Hα-helixtrans-69.5-46.5178.4-64.5168.8000111.8L190 A191 V230L190-I194 HydrophobicContact CD2-CD1 3.64Å; L190-I194 HydrophobicContact CG-CD1 4.41Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.67Å; L190-I194 VanDerWaalsContact O-N 3.07Å; A191-I194 PolarHBondContact O-N 2.54Å; I194-V230 HydrophobicContact CG1-CG1 4.47Å; I194-V230 HydrophobicContact CG1-CG2 3.7Å
195T91.9Very high91.8Very high103 Ų10351.5 Ų51.563%0.63227%0.272SS*.Hα-helixtrans-87.7-35.1-170.554.80000113.5A191A191-T195 PolarHBondContact O-N 2.82Å; A191-T195 PolarHBondContact O-OG1 2.69Å
196L90.1Very high91.7Very high77 Ų7746.2 Ų46.240%0.40325%0.249SC..Hα-helixtrans-134.111.4-170-67.9166.7000112.8L192 G198 F199 G200 A201L192-L196 HydrophobicContact CD2-CD1 4.01Å; L192-L196 CarbonylContact O-C 3.53Å; L192-L196 VanDerWaalsContact O-C 3.22Å; L192-L196 VanDerWaalsContact O-CA 3.31Å; L192-L196 WeakPolarHBondContact O-CA 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å; L196-G198 PolarHBondContact O-N 3.36Å; L196-F199 HydrophobicContact CD2-CD2 4.26Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.08Å; L196-G200 PolarHBondContact O-N 3.25Å; L196-A201 HydrophobicContact CB-CB 3.54Å; L196-A201 HydrophobicContact CD1-CB 4.4Å; L196-A201 PolarHBondContact O-N 2.94Å
197G84.7Confident91.5Very high0 Ų043 Ų430%025%0.247CC..G310 helixtrans-65.2-25.2-177.700000113.4L192 S193 F199 G200L192-G197 PolarHBondContact O-N 3.39Å; S193-G197 VanDerWaalsContact O-CA 3.23Å; S193-G197 WeakPolarHBondContact O-CA 3.35Å; S193-G197 PolarHBondContact O-N 2.88Å; S193-G197 VanDerWaalsContact O-N 3.13Å; G197-F199 PolarHBondContact O-N 2.99Å; G197-G200 WeakPolarHBondContact O-CA 3.23Å; G197-G200 PolarHBondContact O-N 3.35Å
198G85.7Confident91.3Very high19 Ų1941.1 Ų41.120%0.19623%0.23CC..G310 helixtrans-64.9-27.1175.500000112.3L196 G220L196-G198 PolarHBondContact O-N 3.36Å; G198-G220 WeakPolarHBondContact O-CA 3.43Å; G198-G220 PolarHBondContact O-N 3.25Å
199F88.9Confident91.1Very high129 Ų12946 Ų4657%0.56624%0.243SC*.G310 helixtrans-92.7-0.2173.1-59.4-77.2000112.7L196 G197 L216L196-F199 HydrophobicContact CD2-CD2 4.26Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.08Å; G197-F199 PolarHBondContact O-N 2.99Å; F199-L216 HydrophobicContact CB-CD1 4.08Å; F199-L216 HydrophobicContact CD1-CD1 3.98Å
200G88.4Confident91Very high0 Ų054.3 Ų54.30%028%0.275CS..THydrogen-bonded Turntrans73.519.4-178.500000115.1L196 G197 D202 R203 F204L196-G200 PolarHBondContact O-N 3.25Å; G197-G200 WeakPolarHBondContact O-CA 3.23Å; G197-G200 PolarHBondContact O-N 3.35Å; G200-D202 WeakPolarHBondContact CA-OD1 3.39Å; G200-D202 PolarHBondContact O-N 3.29Å; G200-R203 PolarHBondContact O-N 3.41Å; G200-F204 WeakPolarHBondContact O-CD2 3.41Å; G200-F204 PolarHBondContact O-N 3.16Å
201A91.9Very high90.7Very high25 Ų2557.7 Ų57.721%0.20729%0.289CS..Hα-helixtrans-59.6-31.5-178.500000113.1L196 Y205L196-A201 HydrophobicContact CB-CB 3.54Å; L196-A201 HydrophobicContact CD1-CB 4.4Å; L196-A201 PolarHBondContact O-N 2.94Å; A201-Y205 WeakPolarHBondContact O-CB 3.12Å; A201-Y205 PolarHBondContact O-N 3.47Å
202D91Very high90.3Very high0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-59.9-43.7171.360.9-40000112.4G200 Y205 L206 K215 D229 I233G200-D202 WeakPolarHBondContact CA-OD1 3.39Å; G200-D202 PolarHBondContact O-N 3.29Å; D202-Y205 PolarHBondContact O-N 3.07Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 3.01Å; D202-L206 VanDerWaalsContact O-N 3.16Å; D202-K215 IonicContact OD1-NZ 3.73Å; D202-K215 PolarHBondContact OD1-NZ 3.04Å; D202-K215 IonicContact OD2-NZ 3.25Å; D202-K215 PolarHBondContact OD2-NZ 3.39Å; D202-D229 WeakPolarHBondContact OD2-CB 3.36Å; D202-I233 HydrophobicContact CB-CD1 4.08Å
203R91.5Very high90.1Very high7 Ų756.2 Ų56.23%0.02628%0.275CS..Hα-helixtrans-72-39.5178.1-63.9-72.6166.6-139.9-6.6112G200 Y205 L206 G207 Q208 E211 K215 D229G200-R203 PolarHBondContact O-N 3.41Å; R203-Y205 VanDerWaalsContact C-N 3.31Å; R203-L206 PolarHBondContact O-N 3.04Å; R203-G207 PolarHBondContact O-N 3.18Å; R203-Q208 HydrophobicContact CB-CB 4.28Å; R203-Q208 CarbonylContact O-C 3.6Å; R203-Q208 WeakPolarHBondContact O-CA 3.39Å; R203-Q208 PolarHBondContact O-N 3.35Å; R203-E211 WeakPolarHBondContact CD-OE2 3.34Å; R203-E211 HydrophobicContact CG-CB 4.36Å; R203-E211 IonicContact NE-OE2 3.71Å; R203-K215 HydrophobicContact CG-CD 4.12Å; R203-D229 IonicContact CZ-OD1 3.39Å; R203-D229 IonicContact NE-OD1 3.35Å; R203-D229 PolarHBondContact NE-OD1 3.46Å; R203-D229 IonicContact NH2-OD1 2.99Å; R203-D229 PolarHBondContact NH2-OD1 3.35Å
204F92.7Very high89.9Confident84 Ų8458.1 Ų58.137%0.36829%0.294SS..Hα-helixtrans-62.4-40.5172.8-71.5-66.9000111.6G200 L206 G207 W209 G212 L213G200-F204 WeakPolarHBondContact O-CD2 3.41Å; G200-F204 PolarHBondContact O-N 3.16Å; F204-L206 VanDerWaalsContact C-N 3.31Å; F204-L206 PolarHBondContact O-N 3.31Å; F204-G207 PolarHBondContact O-N 3.4Å; F204-W209 HydrophobicContact CD1-CB 3.96Å; F204-W209 HydrophobicContact CE1-CB 3.98Å; F204-W209 WeakPolarHBondContact CE1-O 3.31Å; F204-G212 VanDerWaalsContact CZ-C 3.44Å; F204-L213 HydrophobicContact CE1-CG 4.39Å; F204-L213 HydrophobicContact CZ-CG 4.09Å
205Y92.3Very high89.7Confident68 Ų6853.6 Ų53.627%0.26727%0.271SS..Hα-helixtrans-61.3-38.1176.1178.6-107.9000112.5Y184 K185 T188 A189 L192 A201 D202 R203 G207Y184-Y205 HydrophobicContact CD1-CE1 4.13Å; Y184-Y205 WeakPolarHBondContact CD1-O 3.34Å; Y184-Y205 WeakPolarHBondContact CE1-O 3.29Å; K185-Y205 PolarHBondContact N-OH 2.87Å; T188-Y205 HydrophobicContact CG2-CE1 4.4Å; T188-Y205 HydrophobicContact CG2-CE2 4.2Å; A189-Y205 HydrophobicContact CB-CD1 3.97Å; A189-Y205 HydrophobicContact CB-CE1 4.06Å; L192-Y205 HydrophobicContact CD1-CD1 4.31Å; L192-Y205 HydrophobicContact CD1-CD2 4Å; L192-Y205 HydrophobicContact CD1-CG 3.73Å; A201-Y205 WeakPolarHBondContact O-CB 3.12Å; A201-Y205 PolarHBondContact O-N 3.47Å; D202-Y205 PolarHBondContact O-N 3.07Å; R203-Y205 VanDerWaalsContact C-N 3.31Å; Y205-G207 VanDerWaalsContact C-N 3.27Å; Y205-G207 PolarHBondContact O-N 3.3Å
206L91Very high89.5Confident0 Ų052.2 Ų52.20%026%0.259CS..THydrogen-bonded Turntrans-82.13.4178.7-64.2176.2000114.3A189 D202 R203 F204 Q208 V238 P240 A241 Y246A189-L206 HydrophobicContact CB-CD2 4.3Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 3.01Å; D202-L206 VanDerWaalsContact O-N 3.16Å; R203-L206 PolarHBondContact O-N 3.04Å; F204-L206 VanDerWaalsContact C-N 3.31Å; F204-L206 PolarHBondContact O-N 3.31Å; L206-Q208 VanDerWaalsContact C-N 3.3Å; L206-Q208 PolarHBondContact O-N 2.89Å; L206-V238 HydrophobicContact CD1-CG1 4.38Å; L206-P240 HydrophobicContact CD2-CG 4.26Å; L206-A241 WeakPolarHBondContact O-CB 3.35Å; L206-A241 PolarHBondContact O-N 3.3Å; L206-Y246 HydrophobicContact CD2-CE1 3.67Å; L206-Y246 VanDerWaalsContact CD2-OH 3.28Å; L206-Y246 WeakPolarHBondContact CD2-OH 3.36Å
207G90Very high89.3Confident34 Ų3456.1 Ų56.135%0.35127%0.273SS..THydrogen-bonded Turntrans81.71.4-177.600000115R203 F204 Y205 W209R203-G207 PolarHBondContact O-N 3.18Å; F204-G207 PolarHBondContact O-N 3.4Å; Y205-G207 VanDerWaalsContact C-N 3.27Å; Y205-G207 PolarHBondContact O-N 3.3Å; G207-W209 PolarHBondContact O-N 3.41Å
208Q90.5Very high89.2Confident34 Ų3458.6 Ų58.616%0.15929%0.29CS..  trans-85.556.9-180-62.6169.39.900111.3R203 L206 R210 E211 G212 G239 A241R203-Q208 HydrophobicContact CB-CB 4.28Å; R203-Q208 CarbonylContact O-C 3.6Å; R203-Q208 WeakPolarHBondContact O-CA 3.39Å; R203-Q208 PolarHBondContact O-N 3.35Å; L206-Q208 VanDerWaalsContact C-N 3.3Å; L206-Q208 PolarHBondContact O-N 2.89Å; Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.15Å; Q208-E211 PolarHBondContact O-N 3.13Å; Q208-E211 PolarHBondContact OE1-OE2 3.18Å; Q208-G212 PolarHBondContact O-N 3.47Å; Q208-G212 VanDerWaalsContact O-N 3.08Å; Q208-G239 PolarHBondContact NE2-O 3.47Å; Q208-A241 HydrophobicContact CG-CB 4.04Å
209W89.8Confident88.9Confident154 Ų15466.6 Ų66.658%0.58332%0.32SS*.Hα-helixtrans-61.9-31.1-170.869-88.5000114.3F204 G207 G212 L213F204-W209 HydrophobicContact CD1-CB 3.96Å; F204-W209 HydrophobicContact CE1-CB 3.98Å; F204-W209 WeakPolarHBondContact CE1-O 3.31Å; G207-W209 PolarHBondContact O-N 3.41Å; W209-G212 PolarHBondContact O-N 3.14Å; W209-L213 HydrophobicContact CE3-CD1 3.41Å; W209-L213 VanDerWaalsContact CE3-CD1 3.41Å; W209-L213 HydrophobicContact CZ3-CD1 3.52Å; W209-L213 PolarHBondContact O-N 3.37Å
210R91.5Very high88Confident174 Ų17460.5 Ų60.566%0.65729%0.294SS*.Hα-helixtrans-64.7-44.4177.9-65.4174.669.2-155.91.6111.5Q208 G214Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.15Å; R210-G214 PolarHBondContact O-N 3.07Å
211E88.1Confident87Confident111 Ų11161.6 Ų61.652%0.51931%0.305SS..Hα-helixtrans-70.3-37176.3-64.5-175.3-173.900111.5R203 Q208 L213 G214 K215R203-E211 WeakPolarHBondContact CD-OE2 3.34Å; R203-E211 HydrophobicContact CG-CB 4.36Å; R203-E211 IonicContact NE-OE2 3.71Å; Q208-E211 PolarHBondContact O-N 3.13Å; Q208-E211 PolarHBondContact OE1-OE2 3.18Å; E211-L213 PolarHBondContact O-N 3.22Å; E211-G214 PolarHBondContact O-N 3.14Å; E211-K215 PolarHBondContact O-N 3.01Å; E211-K215 VanDerWaalsContact O-N 3.14Å
212G88.3Confident86.3Confident0 Ų069 Ų690%034%0.34CS..Hα-helixtrans-57.8-44.717400000113F204 Q208 W209 G214 K215 L216F204-G212 VanDerWaalsContact CZ-C 3.44Å; Q208-G212 PolarHBondContact O-N 3.47Å; Q208-G212 VanDerWaalsContact O-N 3.08Å; W209-G212 PolarHBondContact O-N 3.14Å; G212-G214 VanDerWaalsContact C-N 3.33Å; G212-G214 PolarHBondContact O-N 3.22Å; G212-K215 PolarHBondContact O-N 3.42Å; G212-L216 PolarHBondContact O-N 3.08Å
213L89.6Confident85.8Confident58 Ų5870.6 Ų70.630%0.30436%0.356SS..Hα-helixtrans-62-39.5174.8-81.7159000112.4F204 W209 E211 K215 L216 F217F204-L213 HydrophobicContact CE1-CG 4.39Å; F204-L213 HydrophobicContact CZ-CG 4.09Å; W209-L213 HydrophobicContact CE3-CD1 3.41Å; W209-L213 VanDerWaalsContact CE3-CD1 3.41Å; W209-L213 HydrophobicContact CZ3-CD1 3.52Å; W209-L213 PolarHBondContact O-N 3.37Å; E211-L213 PolarHBondContact O-N 3.22Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.45Å; L213-L216 PolarHBondContact O-N 3.08Å; L213-F217 HydrophobicContact CB-CD2 4.49Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CE2 3.87Å; L213-F217 HydrophobicContact CD2-CZ 4.44Å; L213-F217 WeakPolarHBondContact O-CD2 3.45Å; L213-F217 PolarHBondContact O-N 3.23Å
214G87.9Confident85.6Confident40 Ų4075.8 Ų75.841%0.41238%0.383SS..Hα-helixtrans-59.8-40.5176.200000112.6R210 E211 G212 S218R210-G214 PolarHBondContact O-N 3.07Å; E211-G214 PolarHBondContact O-N 3.14Å; G212-G214 VanDerWaalsContact C-N 3.33Å; G212-G214 PolarHBondContact O-N 3.22Å; G214-S218 WeakPolarHBondContact O-CB 3.22Å; G214-S218 PolarHBondContact O-N 3.21Å; G214-S218 VanDerWaalsContact O-N 3.16Å; G214-S218 PolarHBondContact O-OG 3.37Å
215K88.1Confident85.4Confident8 Ų877.4 Ų77.44%0.03539%0.387CS..Hα-helixtrans-66.7-41.4173.7-67.3-179.4-176.7-176.70112.2D202 R203 E211 G212 L213 S218 F219 G220 D229D202-K215 IonicContact OD1-NZ 3.73Å; D202-K215 PolarHBondContact OD1-NZ 3.04Å; D202-K215 IonicContact OD2-NZ 3.25Å; D202-K215 PolarHBondContact OD2-NZ 3.39Å; R203-K215 HydrophobicContact CG-CD 4.12Å; E211-K215 PolarHBondContact O-N 3.01Å; E211-K215 VanDerWaalsContact O-N 3.14Å; G212-K215 PolarHBondContact O-N 3.42Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.45Å; K215-S218 WeakPolarHBondContact CA-OG 3.18Å; K215-S218 PolarHBondContact O-N 3.01Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-S218 VanDerWaalsContact O-OG 3.06Å; K215-F219 PolarHBondContact O-N 3.34Å; K215-G220 PolarHBondContact O-N 3.33Å; K215-D229 WeakPolarHBondContact CE-OD2 3.5Å; K215-D229 IonicContact NZ-OD1 2.69Å; K215-D229 PolarHBondContact NZ-OD1 2.98Å; K215-D229 IonicContact NZ-OD2 3.42Å; K215-D229 PolarHBondContact NZ-OD2 3.19Å
216L87.3Confident85.3Confident74 Ų7475.8 Ų75.839%0.38738%0.384SS..Hα-helixtrans-62.1-47.4179.8-165.775.3000111.9F199 G212 L213 S218 F219F199-L216 HydrophobicContact CB-CD1 4.08Å; F199-L216 HydrophobicContact CD1-CD1 3.98Å; G212-L216 PolarHBondContact O-N 3.08Å; L213-L216 PolarHBondContact O-N 3.08Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.2Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-F219 VanDerWaalsContact O-N 3.13Å
217F86.6Confident85.2Confident160 Ų16081.9 Ų81.970%0.70242%0.416SS*.Hα-helixtrans-71.5-26179.6-72-58.9000113.7L213 F219L213-F217 HydrophobicContact CB-CD2 4.49Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CE2 3.87Å; L213-F217 HydrophobicContact CD2-CZ 4.44Å; L213-F217 WeakPolarHBondContact O-CD2 3.45Å; L213-F217 PolarHBondContact O-N 3.23Å; F217-F219 PolarHBondContact O-N 3.16Å
218S82.8Confident85.3Confident51 Ų5183.7 Ų83.736%0.35742%0.417SS..THydrogen-bonded Turntrans-83.47.4172.361.10000113.4G214 K215 L216 G220 G221G214-S218 WeakPolarHBondContact O-CB 3.22Å; G214-S218 PolarHBondContact O-N 3.21Å; G214-S218 VanDerWaalsContact O-N 3.16Å; G214-S218 PolarHBondContact O-OG 3.37Å; K215-S218 WeakPolarHBondContact CA-OG 3.18Å; K215-S218 PolarHBondContact O-N 3.01Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-S218 VanDerWaalsContact O-OG 3.06Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.2Å; S218-G220 PolarHBondContact O-N 3.35Å; S218-G220 VanDerWaalsContact O-N 3.16Å; S218-G221 PolarHBondContact O-N 3.26Å
219F79.3Confident85.3Confident188 Ų18882.3 Ų82.383%0.82541%0.411SS*.G310 helixtrans48.436.7-173.1-69.8-86.5000112.4K215 L216 F217 G221K215-F219 PolarHBondContact O-N 3.34Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-F219 VanDerWaalsContact O-N 3.13Å; F217-F219 PolarHBondContact O-N 3.16Å; F219-G221 PolarHBondContact O-N 2.95Å; F219-G221 VanDerWaalsContact O-N 3.14Å
220G69.6Low85.4Confident1 Ų177.2 Ų77.21%0.0140%0.397CS..G310 helixtrans64.417.5179.800000115G198 K215 S218 L222 G223G198-G220 WeakPolarHBondContact O-CA 3.43Å; G198-G220 PolarHBondContact O-N 3.25Å; K215-G220 PolarHBondContact O-N 3.33Å; S218-G220 PolarHBondContact O-N 3.35Å; S218-G220 VanDerWaalsContact O-N 3.16Å; G220-L222 PolarHBondContact O-N 3.01Å; G220-G223 PolarHBondContact O-N 3.06Å; G220-G223 VanDerWaalsContact O-N 3.13Å
221G68.1Low85.5Confident23 Ų2374.2 Ų74.224%0.23739%0.393CS..G310 helixtrans44.952.1175.900000114.5S218 F219 G223 I224S218-G221 PolarHBondContact O-N 3.26Å; F219-G221 PolarHBondContact O-N 2.95Å; F219-G221 VanDerWaalsContact O-N 3.14Å; G221-G223 PolarHBondContact O-N 3.45Å; G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.15Å
222L77.4Confident85.7Confident181 Ų18171.3 Ų71.395%0.94838%0.381SS*.G310 helixtrans56.822.3175.7-62167.9000115.1G220G220-L222 PolarHBondContact O-N 3.01Å
223G80.1Confident85.8Confident33 Ų3371.3 Ų71.334%0.3438%0.381SS..G310 helixtrans911.1178.600000115.3G220 G221 T226 L227G220-G223 PolarHBondContact O-N 3.06Å; G220-G223 VanDerWaalsContact O-N 3.13Å; G221-G223 PolarHBondContact O-N 3.45Å; G223-T226 VanDerWaalsContact CA-OG1 3.22Å; G223-T226 WeakPolarHBondContact CA-OG1 3.31Å; G223-T226 PolarHBondContact O-OG1 3.06Å; G223-L227 PolarHBondContact O-N 2.84Å
224I87.3Confident85.9Confident115 Ų11570.1 Ų70.159%0.5938%0.383SS*.Hα-helixtrans-67.8-42.7172.9-67.3163.2000110.2G221 T226 L227 I228G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.15Å; I224-T226 PolarHBondContact O-N 3.16Å; I224-L227 PolarHBondContact O-N 3.16Å; I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.49Å; I224-I228 PolarHBondContact O-N 3.43Å; I224-I228 VanDerWaalsContact O-N 3.12Å
225W88.1Confident86.1Confident118 Ų11873 Ų7345%0.44739%0.393SS..Hα-helixtrans-59.4-48.6177.3-73.3102.3000111.5L227 I228 D229W225-L227 PolarHBondContact O-N 2.86Å; W225-I228 PolarHBondContact O-N 3.13Å; W225-I228 VanDerWaalsContact O-N 3.09Å; W225-D229 VanDerWaalsContact C-OD2 3.29Å; W225-D229 VanDerWaalsContact O-CG 3.28Å; W225-D229 PolarHBondContact O-N 3.26Å
226T89.1Confident86Confident34 Ų3474.7 Ų74.721%0.20941%0.412CS..Hα-helixtrans-53.4-40.8176.645.20000112.8G223 I224 D229 V230G223-T226 VanDerWaalsContact CA-OG1 3.22Å; G223-T226 WeakPolarHBondContact CA-OG1 3.31Å; G223-T226 PolarHBondContact O-OG1 3.06Å; I224-T226 PolarHBondContact O-N 3.16Å; T226-D229 PolarHBondContact O-N 3.32Å; T226-V230 WeakPolarHBondContact O-CB 3.09Å; T226-V230 WeakPolarHBondContact O-CG2 3.18Å; T226-V230 PolarHBondContact O-N 3.45Å
227L90.8Very high85.9Confident128 Ų12880.1 Ų80.167%0.6743%0.428SS*.Hα-helixtrans-70.1-40.7-179-172140.5000112G223 I224 W225 L231G223-L227 PolarHBondContact O-N 2.84Å; I224-L227 PolarHBondContact O-N 3.16Å; W225-L227 PolarHBondContact O-N 2.86Å; L227-L231 PolarHBondContact O-N 3.29Å
228I90.7Very high86Confident73 Ų7373.5 Ų73.537%0.37440%0.401SS..Hα-helixtrans-64.1-44.8175.4-65.8169.6000110.3I224 W225 L231 L232I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.49Å; I224-I228 PolarHBondContact O-N 3.43Å; I224-I228 VanDerWaalsContact O-N 3.12Å; W225-I228 PolarHBondContact O-N 3.13Å; W225-I228 VanDerWaalsContact O-N 3.09Å; I228-L231 WeakPolarHBondContact O-CB 3Å; I228-L231 PolarHBondContact O-N 3.26Å; I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 VanDerWaalsContact O-CG 3.29Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 3.25Å
229D90.1Very high86.2Confident4 Ų472 Ų722%0.02139%0.394CS..Hα-helixtrans-66.7-41.6-178.3-65.7-60.6000112.9S193 D202 R203 K215 W225 T226 L231 L232 I233S193-D229 VanDerWaalsContact OG-CB 3.31Å; S193-D229 WeakPolarHBondContact OG-CB 3.35Å; D202-D229 WeakPolarHBondContact OD2-CB 3.36Å; R203-D229 IonicContact CZ-OD1 3.39Å; R203-D229 IonicContact NE-OD1 3.35Å; R203-D229 PolarHBondContact NE-OD1 3.46Å; R203-D229 IonicContact NH2-OD1 2.99Å; R203-D229 PolarHBondContact NH2-OD1 3.35Å; K215-D229 WeakPolarHBondContact CE-OD2 3.5Å; K215-D229 IonicContact NZ-OD1 2.69Å; K215-D229 PolarHBondContact NZ-OD1 2.98Å; K215-D229 IonicContact NZ-OD2 3.42Å; K215-D229 PolarHBondContact NZ-OD2 3.19Å; W225-D229 VanDerWaalsContact C-OD2 3.29Å; W225-D229 VanDerWaalsContact O-CG 3.28Å; W225-D229 PolarHBondContact O-N 3.26Å; T226-D229 PolarHBondContact O-N 3.32Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.15Å; D229-L232 PolarHBondContact O-N 2.97Å; D229-I233 WeakPolarHBondContact O-CB 3.42Å; D229-I233 WeakPolarHBondContact O-CG1 3.41Å; D229-I233 PolarHBondContact O-N 3.48Å
230V93.2Very high86.7Confident48 Ų4863.4 Ų63.429%0.29136%0.357SS..Hα-helixtrans-59.5-41.6174.6169.10000110.5S193 I194 T226 G234S193-V230 WeakPolarHBondContact OG-CG2 3.44Å; S193-V230 PolarHBondContact OG-N 3.15Å; I194-V230 HydrophobicContact CG1-CG1 4.47Å; I194-V230 HydrophobicContact CG1-CG2 3.7Å; T226-V230 WeakPolarHBondContact O-CB 3.09Å; T226-V230 WeakPolarHBondContact O-CG2 3.18Å; T226-V230 PolarHBondContact O-N 3.45Å; V230-G234 WeakPolarHBondContact O-CA 3.44Å; V230-G234 PolarHBondContact O-N 3.44Å
231L93.8Very high87.6Confident111 Ų11165.8 Ų65.858%0.58138%0.377SS*.Hα-helixtrans-64.1-49.8175.2-177.566.7000111.3L227 I228 D229 G234 V235L227-L231 PolarHBondContact O-N 3.29Å; I228-L231 WeakPolarHBondContact O-CB 3Å; I228-L231 PolarHBondContact O-N 3.26Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.15Å; L231-G234 PolarHBondContact O-N 3.39Å; L231-V235 HydrophobicContact CD1-CG1 4.31Å; L231-V235 WeakPolarHBondContact O-CG1 3.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 2.93Å
232L91.3Very high88.4Confident49 Ų4968.6 Ų68.626%0.25739%0.386SS..Hα-helixtrans-65.6-39.8-175.9-72.9176.1000113.5I228 D229 G236 Y237 V238I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 VanDerWaalsContact O-CG 3.29Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 3.25Å; D229-L232 PolarHBondContact O-N 2.97Å; L232-G236 PolarHBondContact O-N 3.49Å; L232-Y237 HydrophobicContact CD2-CD1 3.9Å; L232-Y237 HydrophobicContact CD2-CG 4.37Å; L232-Y237 PolarHBondContact O-N 3.01Å; L232-V238 HydrophobicContact CB-CG2 4.01Å; L232-V238 HydrophobicContact CD1-CG2 4.3Å; L232-V238 PolarHBondContact O-N 3.46Å
233I91.6Very high88.7Confident0 Ų060.4 Ų60.40%035%0.345CS..Hα-helixtrans-73.6-39.6174.5-64.8169000109.5W186 A189 L190 D202 D229 V235 G236W186-I233 PolarHBondContact NE1-O 3.32Å; A189-I233 HydrophobicContact CB-CG2 4.15Å; L190-I233 HydrophobicContact CB-CG2 4.26Å; D202-I233 HydrophobicContact CB-CD1 4.08Å; D229-I233 WeakPolarHBondContact O-CB 3.42Å; D229-I233 WeakPolarHBondContact O-CG1 3.41Å; D229-I233 PolarHBondContact O-N 3.48Å; I233-V235 PolarHBondContact O-N 3.32Å; I233-G236 PolarHBondContact O-N 2.93Å
234G90.6Very high89.2Confident34 Ų3458.8 Ų58.835%0.35133%0.329SS..Hα-helixtrans-58.3-42.5177.900000113.4V230 L231 G236V230-G234 WeakPolarHBondContact O-CA 3.44Å; V230-G234 PolarHBondContact O-N 3.44Å; L231-G234 PolarHBondContact O-N 3.39Å; G234-G236 VanDerWaalsContact C-N 3.28Å
235V91.4Very high89.2Confident101 Ų10156.7 Ų56.761%0.61232%0.318SS*.THydrogen-bonded Turntrans-82.2-4.3175.4-56.80000113.6L231 I233 Y237L231-V235 HydrophobicContact CD1-CG1 4.31Å; L231-V235 WeakPolarHBondContact O-CG1 3.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 2.93Å; I233-V235 PolarHBondContact O-N 3.32Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.01Å
236G86.3Confident89.3Confident43 Ų4352.9 Ų52.944%0.44330%0.304SS..THydrogen-bonded Turntrans70.119-178.300000114.5L232 I233 G234L232-G236 PolarHBondContact O-N 3.49Å; I233-G236 PolarHBondContact O-N 2.93Å; G234-G236 VanDerWaalsContact C-N 3.28Å
237Y86.7Confident89.3Confident187 Ų18757.5 Ų57.573%0.73333%0.326SS*.  trans-70.1-35.2178.2-176.6-97.9000111.5L232 V235L232-Y237 HydrophobicContact CD2-CD1 3.9Å; L232-Y237 HydrophobicContact CD2-CG 4.37Å; L232-Y237 PolarHBondContact O-N 3.01Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.01Å
238V87.9Confident89.2Confident22 Ų2254 Ų5413%0.13331%0.309CS..SBendtrans-103.2119.8175.9-172.70000111.3L206 L232 Y246L206-V238 HydrophobicContact CD1-CG1 4.38Å; L232-V238 HydrophobicContact CB-CG2 4.01Å; L232-V238 HydrophobicContact CD1-CG2 4.3Å; L232-V238 PolarHBondContact O-N 3.46Å; V238-Y246 WeakPolarHBondContact O-CE2 3.41Å; V238-Y246 PolarHBondContact O-OH 2.92Å
239G87.1Confident89.1Confident19 Ų1953 Ų5320%0.19631%0.306CS..  trans-103.4179.8173.900000113.6Q208Q208-G239 PolarHBondContact NE2-O 3.47Å
240P90.3Very high89.1Confident8 Ų855.7 Ų55.75%0.05232%0.321CS..  trans-57147.8171.2-21.433.1000112.5Y184 L206 D242 G243 S244 Y246Y184-P240 HydrophobicContact CD2-CB 3.45Å; Y184-P240 VanDerWaalsContact CD2-CB 3.45Å; Y184-P240 HydrophobicContact CD2-CG 3.46Å; Y184-P240 VanDerWaalsContact CD2-CG 3.46Å; Y184-P240 HydrophobicContact CE2-CB 3.6Å; Y184-P240 HydrophobicContact CE2-CG 4.16Å; Y184-P240 HydrophobicContact CG-CB 3.95Å; Y184-P240 HydrophobicContact CG-CG 3.71Å; L206-P240 HydrophobicContact CD2-CG 4.26Å; P240-D242 PolarHBondContact O-N 2.95Å; P240-G243 PolarHBondContact O-N 3.25Å; P240-S244 WeakPolarHBondContact CD-O 3.27Å; P240-Y246 HydrophobicContact CG-CD1 4.4Å; P240-Y246 HydrophobicContact CG-CE1 4.12Å
241A87.9Confident88.8Confident51 Ų5156.2 Ų56.242%0.42132%0.323SS..THydrogen-bonded Turntrans-59.6-29.1178.700000113.1L206 Q208 G243L206-A241 WeakPolarHBondContact O-CB 3.35Å; L206-A241 PolarHBondContact O-N 3.3Å; Q208-A241 HydrophobicContact CG-CB 4.04Å; A241-G243 PolarHBondContact O-N 3.24Å
242D84.7Confident88.5Confident82 Ų8252.8 Ų52.844%0.43931%0.307SS..THydrogen-bonded Turntrans-73.5-3.7178.4-51.6-46.2000113Y184 P240 S244Y184-D242 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D242 PolarHBondContact OH-OD2 3.03Å; P240-D242 PolarHBondContact O-N 2.95Å; D242-S244 PolarHBondContact O-N 3.34Å
243G84.4Confident88.4Confident8 Ų853 Ų538%0.08231%0.31CS..  trans69.115.5-17700000113.7T146 V147 P240 A241T146-G243 WeakPolarHBondContact CA-O 3.46Å; T146-G243 WeakPolarHBondContact CB-O 3.44Å; T146-G243 PolarHBondContact N-O 3.27Å; V147-G243 PolarHBondContact N-O 3.39Å; P240-G243 PolarHBondContact O-N 3.25Å; A241-G243 PolarHBondContact O-N 3.24Å
244S89Confident88.1Confident0 Ų056.8 Ų56.80%033%0.333CS..PPolyproline II helixtrans-78160.1178.273.30000112.5G182 P240 D242G182-S244 WeakPolarHBondContact CA-OG 3.26Å; G182-S244 PolarHBondContact N-OG 3Å; G182-S244 VanDerWaalsContact N-OG 3.08Å; P240-S244 WeakPolarHBondContact CD-O 3.27Å; D242-S244 PolarHBondContact O-N 3.34Å
245L88.6Confident87.9Confident71 Ų7158.5 Ų58.537%0.37233%0.331SS..PPolyproline II helixtrans-80.8143177.2-164.7119.6000111T146 W180 T181T146-L245 HydrophobicContact CG2-CB 4.03Å; T146-L245 HydrophobicContact CG2-CD1 4.04Å; W180-L245 PolarHBondContact O-N 3.44Å; T181-L245 HydrophobicContact CG2-CB 4.13Å; T181-L245 HydrophobicContact CG2-CD2 4.38Å
246Y88.8Confident87.6Confident38 Ų3855 Ų5515%0.14931%0.308CS..PPolyproline II helixtrans-65.6146.1171.3-74.6-66.3000111.8Y184 W186 A189 L206 V238 P240Y184-Y246 WeakPolarHBondContact O-CA 3.25Å; W186-Y246 HydrophobicContact CB-CD1 4.1Å; W186-Y246 HydrophobicContact CB-CD2 4.48Å; W186-Y246 HydrophobicContact CB-CG 3.95Å; A189-Y246 HydrophobicContact CB-CE1 4.31Å; L206-Y246 HydrophobicContact CD2-CE1 3.67Å; L206-Y246 VanDerWaalsContact CD2-OH 3.28Å; L206-Y246 WeakPolarHBondContact CD2-OH 3.36Å; V238-Y246 WeakPolarHBondContact O-CE2 3.41Å; V238-Y246 PolarHBondContact O-OH 2.92Å; P240-Y246 HydrophobicContact CG-CD1 4.4Å; P240-Y246 HydrophobicContact CG-CE1 4.12Å
247I89.9Confident87.8Confident131 Ų13156.1 Ų56.167%0.67230%0.295SS*.  trans-96.80169.1-66.5172.5000110.3T181 Y184 K185 W186T181-I247 HydrophobicContact CG2-CD1 4.46Å; T181-I247 HydrophobicContact CG2-CG1 3.97Å; Y184-I247 PolarHBondContact O-N 3.24Å; K185-I247 WeakPolarHBondContact CA-O 3.47Å; W186-I247 PolarHBondContact N-O 3.27Å

Retrieved 247 of 247 residues in 841.7 ms (Link to these results)