A0A077ZBT6_TRITR Loading...

Ribosomal protein S11 containing protein

AlphaFold DB , UniProt , Accession A0A077ZBT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low39.6Very low240 Ų240155 Ų155100%1.18280%0.801SS**  088.90-74.9171.2140.700108.3
2A41.6Very low39.8Very low95 Ų95153.7 Ų153.779%0.78580%0.804SS**  trans-89.9107.4177.600000108.4I4A2-I4 PolarHBondContact O-N 3.29Å; A2-I4 VanDerWaalsContact O-N 3.1Å
3V45.3Very low39.7Very low134 Ų134147.8 Ų147.881%0.81279%0.792SS**  trans-74.994.7176.6-179.90000107.3P5V3-P5 WeakPolarHBondContact O-CD 3.45Å
4I39.8Very low39.8Very low148 Ų148144.3 Ų144.376%0.75978%0.781SS**  trans-67.5119.7169.4-61.1175.3000106.5A2 R6A2-I4 PolarHBondContact O-N 3.29Å; A2-I4 VanDerWaalsContact O-N 3.1Å; I4-R6 PolarHBondContact O-N 2.98Å; I4-R6 VanDerWaalsContact O-N 3.11Å
5P36.4Very low39.9Very low95 Ų95141.6 Ų141.662%0.61779%0.786SS**  trans-64.8119.1178.726-30.3000107.8V3 V7V3-P5 WeakPolarHBondContact O-CD 3.45Å; P5-V7 PolarHBondContact O-N 3.24Å
6R39.3Very low39.9Very low234 Ų234139.6 Ų139.688%0.88378%0.779SS**  trans-59.391.2162.5-84.1179.3169.4170.2-3.5106.9I4 L8I4-R6 PolarHBondContact O-N 2.98Å; I4-R6 VanDerWaalsContact O-N 3.11Å; R6-L8 PolarHBondContact O-N 2.93Å
7V41.8Very low39.8Very low114 Ų114134.4 Ų134.469%0.69176%0.763SS**  trans-69.691.2166.9-168.40000105.1P5 F9P5-V7 PolarHBondContact O-N 3.24Å; V7-F9 PolarHBondContact O-N 3.44Å
8L35.2Very low39.4Very low127 Ų127140.2 Ų140.267%0.66577%0.771SS**  trans-57.1103.4172.5-142.190.3000105.7R6 K10R6-L8 PolarHBondContact O-N 2.93Å; L8-K10 HydrophobicContact CD2-CG 4.12Å; L8-K10 PolarHBondContact O-N 2.85Å
9F38.4Very low39.2Very low196 Ų196142.2 Ų142.286%0.8677%0.772SS**  trans-61.884.3163.7-90.9-93000106.5V7 N11V7-F9 PolarHBondContact O-N 3.44Å; F9-N11 PolarHBondContact O-N 3.15Å
10K39Very low39Very low169 Ų169141.2 Ų141.274%0.73577%0.765SS**  trans-66.892.1161.8-77.1-173.2175.9-178.80105.2L8 V12L8-K10 HydrophobicContact CD2-CG 4.12Å; L8-K10 PolarHBondContact O-N 2.85Å; K10-V12 PolarHBondContact O-N 3.48Å
11N37.7Very low38.8Very low153 Ų153137.6 Ų137.682%0.81875%0.751SS**  trans17.178.5143.3-66.7-31.9000112.8F9 A13F9-N11 PolarHBondContact O-N 3.15Å; N11-A13 PolarHBondContact O-N 3Å
12V41.8Very low38.7Very low139 Ų139131.7 Ų131.784%0.84272%0.723SS**  trans-78.767.3152.9-174.30000104.5K10K10-V12 PolarHBondContact O-N 3.48Å
13A39.1Very low38.5Very low78 Ų78130.4 Ų130.465%0.64571%0.708SS**  trans-58.8123.5155.700000104.1N11 A15N11-A13 PolarHBondContact O-N 3Å; A13-A15 PolarHBondContact O-N 3.38Å
14P40.3Very low38.2Very low98 Ų98126.7 Ų126.764%0.63669%0.692SS**  trans-52.4142.2174.320.1-26.7000106.6V16P14-V16 HydrophobicContact CB-CG2 4.37Å; P14-V16 HydrophobicContact CG-CG2 3.98Å; P14-V16 PolarHBondContact O-N 3.23Å
15A40.9Very low38.5Very low104 Ų104124.9 Ų124.986%0.8668%0.683SS**  trans-64.964.6169.900000108.8A13 G17A13-A15 PolarHBondContact O-N 3.38Å; A15-G17 PolarHBondContact O-N 3.01Å; A15-G17 VanDerWaalsContact O-N 3.15Å
16V41.4Very low38.8Very low110 Ų110124.4 Ų124.467%0.66769%0.687SS**  trans-56.5119.5161.7-175.60000103P14 R18P14-V16 HydrophobicContact CB-CG2 4.37Å; P14-V16 HydrophobicContact CG-CG2 3.98Å; P14-V16 PolarHBondContact O-N 3.23Å; V16-R18 PolarHBondContact O-N 3.23Å
17G36.7Very low38.9Very low50 Ų50121.2 Ų121.252%0.51568%0.679SS.*  trans-41.3141.3-160.600000111.2A15 F19A15-G17 PolarHBondContact O-N 3.01Å; A15-G17 VanDerWaalsContact O-N 3.15Å; G17-F19 PolarHBondContact O-N 3.03Å
18R33.6Very low38.7Very low239 Ų239118.6 Ų118.690%0.90268%0.676SS**  trans-33.9100.9156.2-76.8174.1173.8172.6-2.8106.6V16 L20V16-R18 PolarHBondContact O-N 3.23Å; R18-L20 PolarHBondContact O-N 3.19Å
19F35.3Very low38.9Very low179 Ų179123.9 Ų123.979%0.78569%0.687SS**  trans-58.992.4156.6-97.6-98.7000101.3G17 S21G17-F19 PolarHBondContact O-N 3.03Å; F19-S21 PolarHBondContact O-N 3.2Å
20L34.7Very low38.9Very low121 Ų121122.6 Ų122.663%0.63469%0.685SS**  trans-50.199.7148.7-73170.1000101.3R18 L22R18-L20 PolarHBondContact O-N 3.19Å; L20-L22 PolarHBondContact O-N 2.91Å
21S35.9Very low39Very low67 Ų67120.6 Ų120.647%0.46968%0.683SS.*  trans-46.8122.3173.555.20000103.8F19 S23 A24F19-S21 PolarHBondContact O-N 3.2Å; S21-S23 CarbonylContact O-C 3.59Å; S21-S23 PolarHBondContact O-N 2.8Å; S21-A24 WeakPolarHBondContact O-CB 3.49Å; S21-A24 PolarHBondContact O-N 3.28Å
22L39.3Very low39.3Very low115 Ų115124.9 Ų124.960%0.60269%0.687SS**Hα-helixtrans-55.3-17.8179.7-83.5150.7000110.5L20 A24 I25 A26L20-L22 PolarHBondContact O-N 2.91Å; L22-A24 PolarHBondContact O-N 3.19Å; L22-I25 HydrophobicContact CD2-CD1 4.3Å; L22-I25 PolarHBondContact O-N 3.39Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.98Å
23S36.6Very low39.3Very low69 Ų69129.2 Ų129.248%0.48369%0.689SS.*Hα-helixtrans-59.2-35165.3-173.30000115.4S21 A26 K27S21-S23 CarbonylContact O-C 3.59Å; S21-S23 PolarHBondContact O-N 2.8Å; S23-A26 PolarHBondContact O-N 3.34Å; S23-K27 WeakPolarHBondContact O-CB 3.35Å; S23-K27 PolarHBondContact O-N 2.81Å
24A40Very low39.3Very low56 Ų56132.2 Ų132.246%0.46369%0.689SS.*Hα-helixtrans-78-21.9175.200000113S21 L22S21-A24 WeakPolarHBondContact O-CB 3.49Å; S21-A24 PolarHBondContact O-N 3.28Å; L22-A24 PolarHBondContact O-N 3.19Å
25I44.9Very low39.3Very low110 Ų110136.5 Ų136.556%0.56470%0.7SS**Hα-helixtrans-77.4-37.4167.6-62.8176.6000109.5L22 K27L22-I25 HydrophobicContact CD2-CD1 4.3Å; L22-I25 PolarHBondContact O-N 3.39Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.48Å
26A43.3Very low39.6Very low85 Ų85139.4 Ų139.470%0.70270%0.696SS**Hα-helixtrans-68.9-28.3176.400000113.4L22 S23 G28L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.98Å; S23-A26 PolarHBondContact O-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å
27K40.4Very low39.8Very low166 Ų166139.4 Ų139.472%0.72271%0.708SS**SBendtrans-92.581.7177.7-77.1179.7176.9175.50111.8S23 I25 R29S23-K27 WeakPolarHBondContact O-CB 3.35Å; S23-K27 PolarHBondContact O-N 2.81Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.48Å; K27-R29 PolarHBondContact O-N 2.86Å
28G37.6Very low40.3Very low60 Ų60140.7 Ų140.762%0.61972%0.721SS**  trans64.346.4138.800000115.7A26 M30A26-G28 PolarHBondContact O-N 3.04Å; G28-M30 PolarHBondContact O-N 3.45Å
29R40.4Very low40.7Very low238 Ų238133.3 Ų133.390%0.89871%0.706SS**  trans-71.175.8155.6-148.1178.8-170115.3-0.8107.6K27 D31K27-R29 PolarHBondContact O-N 2.86Å; R29-D31 PolarHBondContact O-N 3.38Å
30M37.4Very low40.8Very low169 Ų169135.8 Ų135.883%0.83371%0.71SS**  trans-44.4103.8169-78.1172.7153.600108G28 R32G28-M30 PolarHBondContact O-N 3.45Å; M30-R32 PolarHBondContact O-N 3.25Å
31D41.9Very low41.3Very low127 Ų127136 Ų13668%0.67972%0.718SS**  trans-63.1111166.1-97.5-30.1000106.8R29 R33 E34R29-D31 PolarHBondContact O-N 3.38Å; D31-R33 PolarHBondContact O-N 3.15Å; D31-E34 PolarHBondContact O-N 3.14Å
32R44.5Very low41.8Very low242 Ų242139.3 Ų139.391%0.91374%0.736SS**THydrogen-bonded Turntrans-62.612.4-179.8-63.6-168.8-159.2-179.84.9113.7M30M30-R32 PolarHBondContact O-N 3.25Å
33R41.7Very low42Very low231 Ų231142.7 Ų142.787%0.87275%0.748SS**THydrogen-bonded Turntrans-109-6.4-179.1-66.1-172.7178.2-177.40.3113.6D31 H35D31-R33 PolarHBondContact O-N 3.15Å; R33-H35 VanDerWaalsContact C-N 3.32Å; R33-H35 PolarHBondContact O-N 2.67Å
34E38.7Very low42.5Very low141 Ų141148.6 Ų148.666%0.65977%0.768SS**  trans-90.421.6-178.3-65.2-162.3150.500115.3D31 Q36D31-E34 PolarHBondContact O-N 3.14Å; E34-Q36 PolarHBondContact O-N 2.87Å; E34-Q36 VanDerWaalsContact O-N 3.08Å
35H40.1Very low42.7Very low188 Ų188149.1 Ų149.187%0.8778%0.779SS**  trans-72.813.7165.9-93.8-64.1000114.2R33 A37R33-H35 VanDerWaalsContact C-N 3.32Å; R33-H35 PolarHBondContact O-N 2.67Å; H35-A37 PolarHBondContact O-N 3.24Å
36Q46.5Very low42.7Very low165 Ų165150.2 Ų150.277%0.77179%0.791SS**SBendtrans-8199.3163.9-69-159.2-12.800108.9E34 G38E34-Q36 PolarHBondContact O-N 2.87Å; E34-Q36 VanDerWaalsContact O-N 3.08Å; Q36-G38 PolarHBondContact O-N 3.35Å; Q36-G38 VanDerWaalsContact O-N 3.08Å
37A46.6Very low42.7Very low110 Ų110153.8 Ų153.891%0.90979%0.793SS**THydrogen-bonded Turntrans-50111.3173.700000110.8H35H35-A37 PolarHBondContact O-N 3.24Å
38G46.8Very low42.9Very low76 Ų76148.8 Ų148.878%0.78479%0.789SS**THydrogen-bonded Turntrans147.8-9.5172.400000117.1Q36 R40Q36-G38 PolarHBondContact O-N 3.35Å; Q36-G38 VanDerWaalsContact O-N 3.08Å; G38-R40 PolarHBondContact O-N 2.87Å
39S41.7Very low43.1Very low84 Ų84154 Ų15459%0.58780%0.797SS**PPolyproline II helixtrans-72.5125.1-179.2-33.90000111.7
40R38.5Very low43.1Very low231 Ų231151.4 Ų151.487%0.87279%0.792SS**PPolyproline II helixtrans-72.4142.6178.6-66.9-179179.5-177.8-0.9111.1G38G38-R40 PolarHBondContact O-N 2.87Å
41P43.5Very low43.4Very low125 Ų125151.6 Ų151.681%0.81279%0.785SS**PPolyproline II helixtrans-64.8133.7175.327-32.6000110.4
42V47.4Very low43.5Very low138 Ų138153.1 Ų153.184%0.83679%0.786SS**PPolyproline II helixtrans-78.7124.9176.4-179.60000108.4
43E43.9Very low43.6Very low186 Ų186149.7 Ų149.787%0.86978%0.78SS**PPolyproline II helixtrans-68.1130.5178.6-67.1-177.8166.100111.1G45E43-G45 PolarHBondContact O-N 3.29Å; E43-G45 VanDerWaalsContact O-N 3.12Å
44E46.5Very low43.9Very low192 Ų192143.9 Ų143.990%0.89777%0.77SS**  trans-72.397.1-177.9-68.6178.715800110.7
45G45Very low44.5Very low68 Ų68141 Ų14170%0.70176%0.762SS**  trans-76.1126.5173.700000112.6E43 E47E43-G45 PolarHBondContact O-N 3.29Å; E43-G45 VanDerWaalsContact O-N 3.12Å; G45-E47 PolarHBondContact O-N 3.33Å
46V45Very low45Very low132 Ų132133.5 Ų133.580%0.874%0.735SS**G310 helixtrans-70.518.3-174.1-166.90000114G48V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 2.77Å
47E43.1Very low45.2Very low161 Ų161132.3 Ų132.375%0.75273%0.734SS**G310 helixtrans-83.4-4.7-171.6-69.7-167.8152.700114.9G45 E49G45-E47 PolarHBondContact O-N 3.33Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.92Å
48G43.5Very low45.4Very low61 Ų61134.2 Ų134.263%0.62972%0.724SS**G310 helixtrans-68.6-22.3-173.300000115.7V46V46-G48 VanDerWaalsContact C-N 3.34Å; V46-G48 PolarHBondContact O-N 2.77Å
49E42.7Very low45.5Very low168 Ų168136.2 Ų136.279%0.78572%0.716SS**G310 helixtrans-81.1-25.6-171.5-71-169.6155.700114E47E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E49 PolarHBondContact O-N 2.92Å
50K40Very low46Very low185 Ų185142 Ų14280%0.80473%0.725SS**THydrogen-bonded Turntrans-84.6-15.6-175.2-75.9-172.6178.1179.90115
51Y44.1Very low46.8Very low173 Ų173134.1 Ų134.168%0.67871%0.709SS**Hα-helixtrans-78.4-19.6-179.9-82.9-85.7000113.3V55Y51-V55 WeakPolarHBondContact O-CG2 3.36Å
52F42.9Very low47.4Very low159 Ų159136.5 Ų136.570%0.69770%0.703SS**Hα-helixtrans-77.1-28.1-171.1-130-91.6000114.1
53E47.9Very low47.7Very low169 Ų169138 Ų13879%0.7970%0.699SS**Hα-helixtrans-79.3-29.4-176.6-79.3-174.3151.200113.6
54T48.4Very low48.1Very low109 Ų109135.5 Ų135.567%0.66969%0.69SS**Hα-helixtrans-84.9-38.4-174.6-25.70000113.1G56T54-G56 VanDerWaalsContact C-N 3.34Å
55V50.6Low48.4Very low81 Ų81130.2 Ų130.249%0.49168%0.675SS.*Hα-helixtrans-76.6-21.3177.7-99.60000113.3Y51 L57 L59Y51-V55 WeakPolarHBondContact O-CG2 3.36Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.42Å; V55-L59 PolarHBondContact O-N 3.04Å
56G51Low48.9Very low30 Ų30131.5 Ų131.531%0.30967%0.669SS.*Hα-helixtrans-60.8-37.4178.600000113.1T54T54-G56 VanDerWaalsContact C-N 3.34Å
57L50.2Low49.2Very low141 Ų141128 Ų12874%0.73865%0.653SS**Hα-helixtrans-82.2-33.7-177.3-69.7171.1000113V55 W60 A61V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.42Å; L57-W60 PolarHBondContact O-N 3.43Å; L57-A61 PolarHBondContact O-N 3.29Å
58E51.1Low49.6Very low150 Ų150128.9 Ų128.970%0.70166%0.657SS**Hα-helixtrans-73.3-32.3178.5-68.8-149.5152.200113.1W60 A61 Y62E58-W60 VanDerWaalsContact C-N 3.3Å; E58-W60 PolarHBondContact O-N 2.7Å; E58-A61 PolarHBondContact O-N 3.19Å; E58-Y62 PolarHBondContact O-N 2.86Å; E58-Y62 VanDerWaalsContact O-N 3.16Å
59L48.5Very low49.9Very low118 Ų118131.2 Ų131.262%0.61866%0.659SS**Hα-helixtrans-67.7-30.1176.6-89.6158.3000112.9V55 Y62 F63V55-L59 PolarHBondContact O-N 3.04Å; L59-Y62 PolarHBondContact O-N 2.92Å; L59-F63 WeakPolarHBondContact O-CB 3.43Å; L59-F63 PolarHBondContact O-N 3.24Å
60W51.3Low50.1Low206 Ų206129.7 Ų129.778%0.7866%0.656SS**Hα-helixtrans-75.2-35.1177.6-75.554000111.9L57 E58 Y62 F63 L64L57-W60 PolarHBondContact O-N 3.43Å; E58-W60 VanDerWaalsContact C-N 3.3Å; E58-W60 PolarHBondContact O-N 2.7Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; W60-F63 PolarHBondContact O-N 2.92Å; W60-L64 WeakPolarHBondContact O-CB 3.37Å; W60-L64 PolarHBondContact O-N 2.79Å
61A57.2Low50.7Low64 Ų64126.3 Ų126.353%0.52965%0.65SS.*Hα-helixtrans-64.2-38.6172.400000111.7L57 E58 L64 S65L57-A61 PolarHBondContact O-N 3.29Å; E58-A61 PolarHBondContact O-N 3.19Å; A61-L64 PolarHBondContact O-N 3.14Å; A61-S65 PolarHBondContact O-N 2.88Å; A61-S65 VanDerWaalsContact O-N 3.11Å
62Y54.8Low50.7Low175 Ų175123.2 Ų123.269%0.68665%0.645SS**Hα-helixtrans-67.5-40.8173.4-115.5-85.9000112.6E58 L59 W60 L64 S65 V66E58-Y62 PolarHBondContact O-N 2.86Å; E58-Y62 VanDerWaalsContact O-N 3.16Å; L59-Y62 PolarHBondContact O-N 2.92Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; Y62-L64 VanDerWaalsContact C-N 3.26Å; Y62-L64 PolarHBondContact O-N 2.93Å; Y62-S65 PolarHBondContact O-N 3.22Å; Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 3.33Å
63F54.8Low51.1Low170 Ų170124 Ų12475%0.74665%0.649SS**Hα-helixtrans-63.6-35.4177.6-162.8-97.8000111.7L59 W60 A67L59-F63 WeakPolarHBondContact O-CB 3.43Å; L59-F63 PolarHBondContact O-N 3.24Å; W60-F63 PolarHBondContact O-N 2.92Å; F63-A67 PolarHBondContact O-N 3.17Å
64L51.4Low51.3Low133 Ų133121.6 Ų121.670%0.69665%0.646SS**Hα-helixtrans-76.2-32.5179.1-158.167.3000113W60 A61 Y62 A67W60-L64 WeakPolarHBondContact O-CB 3.37Å; W60-L64 PolarHBondContact O-N 2.79Å; A61-L64 PolarHBondContact O-N 3.14Å; Y62-L64 VanDerWaalsContact C-N 3.26Å; Y62-L64 PolarHBondContact O-N 2.93Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.45Å
65S53.8Low51.4Low81 Ų81123.5 Ų123.557%0.56665%0.647SS**Hα-helixtrans-72.6-30.7177.593.10000112.8A61 Y62 A67A61-S65 PolarHBondContact O-N 2.88Å; A61-S65 VanDerWaalsContact O-N 3.11Å; Y62-S65 PolarHBondContact O-N 3.22Å; S65-A67 VanDerWaalsContact C-N 3.32Å
66V54.7Low51.4Low96 Ų96126.7 Ų126.758%0.58266%0.655SS**Hα-helixtrans-80.1-15.2176.6-173.80000112.1Y62 H68 V69Y62-V66 WeakPolarHBondContact O-CG2 3.35Å; Y62-V66 PolarHBondContact O-N 3.33Å; V66-H68 PolarHBondContact O-N 3.43Å; V66-H68 VanDerWaalsContact O-N 3.09Å; V66-V69 PolarHBondContact O-N 3.3Å
67A50.9Low51.5Low57 Ų57133.2 Ų133.247%0.47168%0.675SS.*THydrogen-bonded Turntrans-66.2-10176.700000113.8F63 L64 S65 V69 L70F63-A67 PolarHBondContact O-N 3.17Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.45Å; S65-A67 VanDerWaalsContact C-N 3.32Å; A67-V69 PolarHBondContact O-N 3.04Å; A67-L70 PolarHBondContact O-N 2.97Å
68H52.1Low51.5Low180 Ų180130.2 Ų130.283%0.83367%0.665SS**THydrogen-bonded Turntrans-82.414.8176.5-123.8-92.9000114.8V66V66-H68 PolarHBondContact O-N 3.43Å; V66-H68 VanDerWaalsContact O-N 3.09Å
69V49.1Very low51.9Low110 Ų110126.1 Ų126.167%0.66765%0.65SS**  trans-107.353.1158.4-164.60000108.3V66 A67 V71V66-V69 PolarHBondContact O-N 3.3Å; A67-V69 PolarHBondContact O-N 3.04Å; V69-V71 HydrophobicContact CG1-CG1 4.05Å; V69-V71 PolarHBondContact O-N 3.21Å
70L48Very low52.4Low137 Ų137126.8 Ų126.872%0.71765%0.654SS**  trans-66.180.4152.9-167.492000105.6A67 D72A67-L70 PolarHBondContact O-N 2.97Å; L70-D72 PolarHBondContact O-N 2.94Å
71V52.9Low53Low113 Ų113120.3 Ų120.369%0.68565%0.652SS**  trans-60.4103.4159.4-90.80000104.7V69 F73V69-V71 HydrophobicContact CG1-CG1 4.05Å; V69-V71 PolarHBondContact O-N 3.21Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 3.09Å
72D43.7Very low53.6Low109 Ų109122.8 Ų122.858%0.58366%0.655SS**  trans-41.597.7175.3-84.3-47.3000109.8L70 T74L70-D72 PolarHBondContact O-N 2.94Å; D72-T74 WeakPolarHBondContact CB-OG1 3.5Å; D72-T74 PolarHBondContact O-N 2.96Å; D72-T74 VanDerWaalsContact O-N 3.11Å
73F51.1Low54.5Low175 Ų175121.3 Ų121.377%0.76865%0.652SS**THydrogen-bonded Turntrans-71.43.3169.7-138.1-90.7000110.7V71 E75 F76V71-F73 VanDerWaalsContact C-N 3.34Å; V71-F73 PolarHBondContact O-N 3.09Å; F73-E75 PolarHBondContact O-N 3.31Å; F73-F76 PolarHBondContact O-N 2.91Å
74T51.9Low55.7Low118 Ų118118.3 Ų118.372%0.72465%0.65SS**THydrogen-bonded Turntrans-75-3.3179.552.80000113.2D72 F76D72-T74 WeakPolarHBondContact CB-OG1 3.5Å; D72-T74 PolarHBondContact O-N 2.96Å; D72-T74 VanDerWaalsContact O-N 3.11Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.05Å
75E51.3Low57.2Low150 Ų150115.8 Ų115.870%0.70164%0.641SS**  trans-94.356.8160.2-69-165-171.100111.3F73 K77F73-E75 PolarHBondContact O-N 3.31Å; E75-K77 PolarHBondContact O-N 3.3Å
76F50.5Low58.5Low148 Ų148120.4 Ų120.465%0.64966%0.655SS**  trans-66.682.8149.8-143.3-99.8000105.6F73 T74 S78 V79F73-F76 PolarHBondContact O-N 2.91Å; T74-F76 VanDerWaalsContact C-N 3.31Å; T74-F76 PolarHBondContact O-N 3.05Å; F76-S78 PolarHBondContact O-N 3.11Å; F76-V79 HydrophobicContact CD1-CG2 3.95Å; F76-V79 HydrophobicContact CE1-CG2 3.46Å; F76-V79 VanDerWaalsContact CE1-CG2 3.46Å
77K52.1Low59.8Low167 Ų167123.3 Ų123.373%0.72666%0.662SS**  trans-46117.9169.8-73.4-168.4177.4-175.60105.5E75 V79E75-K77 PolarHBondContact O-N 3.3Å; K77-V79 PolarHBondContact O-N 3.02Å
78S51.3Low61.2Low78 Ų78122.5 Ų122.555%0.54565%0.652SS.*  trans-38.5124.7-17546.20000109.9F76 D80 G81F76-S78 PolarHBondContact O-N 3.11Å; S78-D80 PolarHBondContact O-N 2.94Å; S78-G81 PolarHBondContact O-N 2.8Å
79V57.8Low62.6Low63 Ų63118.6 Ų118.638%0.38264%0.635SS.*G310 helixtrans-50.1-24-175.1-179.20000112.1F76 K77 G81 I82 F83F76-V79 HydrophobicContact CD1-CG2 3.95Å; F76-V79 HydrophobicContact CE1-CG2 3.46Å; F76-V79 VanDerWaalsContact CE1-CG2 3.46Å; K77-V79 PolarHBondContact O-N 3.02Å; V79-G81 PolarHBondContact O-N 3.42Å; V79-G81 VanDerWaalsContact O-N 3.11Å; V79-I82 HydrophobicContact CG1-CD1 4.2Å; V79-I82 WeakPolarHBondContact O-CB 3.14Å; V79-I82 WeakPolarHBondContact O-CG1 3.41Å; V79-I82 PolarHBondContact O-N 3.48Å; V79-F83 HydrophobicContact CG1-CE2 4.25Å
80D59.3Low64.4Low132 Ų132121.3 Ų121.371%0.70664%0.638SS**G310 helixtrans-51-30.5175.8-51.4-35.6000113.7S78S78-D80 PolarHBondContact O-N 2.94Å
81G64.7Low66.3Low71 Ų71119.4 Ų119.473%0.73263%0.625SS**G310 helixtrans-82.8-7.9177.500000115.3S78 V79S78-G81 PolarHBondContact O-N 2.8Å; V79-G81 PolarHBondContact O-N 3.42Å; V79-G81 VanDerWaalsContact O-N 3.11Å
82I69.2Low68Low116 Ų116118.2 Ų118.260%0.59562%0.618SS**THydrogen-bonded Turntrans-81.4-37.2-176.3-58.5179.7000110.9V79V79-I82 HydrophobicContact CG1-CD1 4.2Å; V79-I82 WeakPolarHBondContact O-CB 3.14Å; V79-I82 WeakPolarHBondContact O-CG1 3.41Å; V79-I82 PolarHBondContact O-N 3.48Å
83F75Confident70.1Confident143 Ų143115.6 Ų115.663%0.62760%0.601SS**SBendtrans-94.9137.1-176.1-67.2-77.1000111.3V79 T85V79-F83 HydrophobicContact CG1-CE2 4.25Å; F83-T85 PolarHBondContact O-N 3.36Å
84P78.1Confident71.9Confident108 Ų108112.8 Ų112.870%0.70160%0.595SS**  trans-64.9124.2174.827.1-32.8000109.9
85T83.8Confident73.6Confident80 Ų80110.4 Ų110.449%0.49159%0.594SS.*  trans-104.7166.7173.9-58.30000109.5F83 E87 T88F83-T85 PolarHBondContact O-N 3.36Å; T85-E87 PolarHBondContact O-N 2.79Å; T85-E87 VanDerWaalsContact O-N 3.09Å; T85-T88 PolarHBondContact N-OG1 3.41Å; T85-T88 VanDerWaalsContact O-CB 3.31Å; T85-T88 WeakPolarHBondContact O-CB 3.5Å; T85-T88 PolarHBondContact O-N 2.84Å; T85-T88 PolarHBondContact O-OG1 2.9Å
86M80.3Confident75.5Confident177 Ų177105.9 Ų105.987%0.87257%0.574SS**THydrogen-bonded Turntrans-52.9-30.3175.2-66.6-174179.300112.8
87E83.3Confident77.5Confident157 Ų157100.3 Ų100.373%0.73455%0.552SS**THydrogen-bonded Turntrans-75-26.5178.1-60.5-175.2167.800113.3T85 M89 K90 Q91T85-E87 PolarHBondContact O-N 2.79Å; T85-E87 VanDerWaalsContact O-N 3.09Å; E87-M89 PolarHBondContact O-N 3.11Å; E87-M89 VanDerWaalsContact O-N 3.14Å; E87-K90 PolarHBondContact O-N 3.26Å; E87-Q91 PolarHBondContact O-N 3.26Å
88T80.8Confident79.3Confident41 Ų4193.7 Ų93.725%0.25252%0.523SS..G310 helixtrans-60.7-28.5-178.1-48.40000112T85 K90 Q91T85-T88 PolarHBondContact N-OG1 3.41Å; T85-T88 VanDerWaalsContact O-CB 3.31Å; T85-T88 WeakPolarHBondContact O-CB 3.5Å; T85-T88 PolarHBondContact O-N 2.84Å; T85-T88 PolarHBondContact O-OG1 2.9Å; T88-K90 VanDerWaalsContact C-N 3.32Å; T88-K90 PolarHBondContact O-N 3.36Å; T88-Q91 WeakPolarHBondContact O-CB 3.17Å; T88-Q91 PolarHBondContact O-N 3.39Å
89M81.5Confident81.2Confident97 Ų9796.2 Ų96.248%0.47853%0.526SS..G310 helixtrans-68.4-30.5176.6-63.5-59.4-167.700113.3E87 F98 E99E87-M89 PolarHBondContact O-N 3.11Å; E87-M89 VanDerWaalsContact O-N 3.14Å; M89-F98 WeakPolarHBondContact O-CB 3.4Å; M89-F98 HydrophobicContact SD-CD1 3.7Å; M89-F98 HydrophobicContact SD-CE1 3.75Å; M89-E99 PolarHBondContact O-N 2.77Å
90K85.2Confident82.8Confident168 Ų16898.7 Ų98.773%0.7353%0.534SS*.G310 helixtrans-91.3-6.3179.5-63.8-177.3179.8178.90112.7E87 T88 V92E87-K90 PolarHBondContact O-N 3.26Å; T88-K90 VanDerWaalsContact C-N 3.32Å; T88-K90 PolarHBondContact O-N 3.36Å; K90-V92 PolarHBondContact O-N 3.09Å
91Q87.6Confident84.5Confident97 Ų9792.4 Ų92.445%0.45350%0.5SS..  trans-63.4131.2179.3-173.3175.2-2.600110.4E87 T88 F93 F98E87-Q91 PolarHBondContact O-N 3.26Å; T88-Q91 WeakPolarHBondContact O-CB 3.17Å; T88-Q91 PolarHBondContact O-N 3.39Å; Q91-F93 HydrophobicContact CB-CE2 3.95Å; Q91-F93 HydrophobicContact CB-CZ 4.36Å; Q91-F93 VanDerWaalsContact CD-CZ 3.44Å; Q91-F93 HydrophobicContact CG-CD2 4.48Å; Q91-F93 HydrophobicContact CG-CE2 3.83Å; Q91-F93 HydrophobicContact CG-CZ 3.85Å; Q91-F98 PolarHBondContact O-N 2.85Å
92V89.3Confident86Confident87 Ų8791.2 Ų91.253%0.52748%0.475SS..EExtended strand (participates in β ladder)trans-91.2128.1-178.9-178.60000109.9K90 G95 I96K90-V92 PolarHBondContact O-N 3.09Å; V92-G95 VanDerWaalsContact CG1-CA 3.43Å; V92-I96 WeakPolarHBondContact CA-O 3.41Å
93F87.3Confident87.3Confident54 Ų5486.9 Ų86.924%0.23745%0.454CS..EExtended strand (participates in β ladder)trans-118.6122.1174.3-63.9-86.2000109.3Q91 G95 I96 F98 M101 I191Q91-F93 HydrophobicContact CB-CE2 3.95Å; Q91-F93 HydrophobicContact CB-CZ 4.36Å; Q91-F93 VanDerWaalsContact CD-CZ 3.44Å; Q91-F93 HydrophobicContact CG-CD2 4.48Å; Q91-F93 HydrophobicContact CG-CE2 3.83Å; Q91-F93 HydrophobicContact CG-CZ 3.85Å; F93-G95 PolarHBondContact O-N 3.37Å; F93-G95 VanDerWaalsContact O-N 3.15Å; F93-I96 PolarHBondContact N-O 2.98Å; F93-I96 PolarHBondContact O-N 3.11Å; F93-I96 VanDerWaalsContact O-O 3.11Å; F93-F98 HydrophobicContact CD2-CB 4.15Å; F93-F98 HydrophobicContact CD2-CD2 4.18Å; F93-F98 HydrophobicContact CE2-CB 4Å; F93-F98 AromaticContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CG 4.33Å; F93-M101 HydrophobicContact CB-CE 3.94Å; F93-M101 HydrophobicContact CD2-CE 4.29Å; F93-M101 HydrophobicContact CG-CE 4.43Å; F93-I191 HydrophobicContact CB-CD1 3.82Å; F93-I191 HydrophobicContact CB-CG1 4.49Å; F93-I191 HydrophobicContact CB-CG2 4.3Å; F93-I191 HydrophobicContact CD1-CG2 3.77Å; F93-I191 HydrophobicContact CD2-CG2 3.92Å; F93-I191 HydrophobicContact CE1-CG2 4Å; F93-I191 HydrophobicContact CE2-CG2 4.14Å; F93-I191 HydrophobicContact CG-CD1 4.45Å; F93-I191 HydrophobicContact CG-CG2 3.72Å; F93-I191 HydrophobicContact CZ-CG2 4.17Å
94N88.6Confident88.4Confident117 Ų11780.1 Ų80.163%0.62642%0.424SS*.THydrogen-bonded Turntrans50.936.9-178.1-61.7-17000113.2I96 N164N94-I96 VanDerWaalsContact C-N 3.31Å; N94-I96 PolarHBondContact O-N 3.37Å; N94-N164 PolarHBondContact ND2-OD1 3.39Å
95G88.6Confident89.4Confident68 Ų6877.7 Ų77.770%0.70140%0.403SS*.THydrogen-bonded Turntrans81.6-3.4-17800000115.7V92 F93V92-G95 VanDerWaalsContact CG1-CA 3.43Å; F93-G95 PolarHBondContact O-N 3.37Å; F93-G95 VanDerWaalsContact O-N 3.15Å
96I90.8Very high90Very high55 Ų5573.9 Ų73.928%0.28238%0.38SS..EExtended strand (participates in β ladder)trans-108.5126.9179.3-49.8-179000108.9V92 F93 N94 E100 M101 N164V92-I96 WeakPolarHBondContact CA-O 3.41Å; F93-I96 PolarHBondContact N-O 2.98Å; F93-I96 PolarHBondContact O-N 3.11Å; F93-I96 VanDerWaalsContact O-O 3.11Å; N94-I96 VanDerWaalsContact C-N 3.31Å; N94-I96 PolarHBondContact O-N 3.37Å; I96-E100 HydrophobicContact CG2-CB 4.33Å; I96-M101 HydrophobicContact CG2-CB 4.41Å; I96-N164 HydrophobicContact CD1-CB 4.38Å; I96-N164 WeakPolarHBondContact CD1-ND2 3.24Å
97P91.9Very high90.8Very high30 Ų3071.7 Ų71.720%0.19537%0.365CS..EExtended strand (participates in β ladder)trans-60.9148.7173.626.9-32.6000109.9E99 E100P97-E99 VanDerWaalsContact C-N 3.28Å; P97-E99 PolarHBondContact O-N 2.81Å; P97-E100 HydrophobicContact CG-CB 3.89Å; P97-E100 HydrophobicContact CG-CG 3.7Å; P97-E100 WeakPolarHBondContact CG-OE2 3.48Å; P97-E100 PolarHBondContact O-N 3.2Å
98F91.2Very high91.4Very high29 Ų2964.3 Ų64.313%0.12733%0.331CS..G310 helixtrans-52.3-51.3-178.3-178.9-98.4000109.6M89 Q91 F93 E100 M101 R166M89-F98 WeakPolarHBondContact O-CB 3.4Å; M89-F98 HydrophobicContact SD-CD1 3.7Å; M89-F98 HydrophobicContact SD-CE1 3.75Å; Q91-F98 PolarHBondContact O-N 2.85Å; F93-F98 HydrophobicContact CD2-CB 4.15Å; F93-F98 HydrophobicContact CD2-CD2 4.18Å; F93-F98 HydrophobicContact CE2-CB 4Å; F93-F98 AromaticContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CD2 3.79Å; F93-F98 HydrophobicContact CE2-CG 4.33Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.23Å; F98-M101 WeakPolarHBondContact O-CB 3.46Å; F98-M101 PolarHBondContact O-N 3.14Å; F98-R166 HydrophobicContact CD2-CG 4.38Å; F98-R166 HydrophobicContact CE2-CG 3.85Å; F98-R166 HydrophobicContact CZ-CG 4.2Å; F98-R166 PolarHBondContact O-NE 2.93Å; F98-R166 VanDerWaalsContact O-NE 3.14Å; F98-R166 PolarHBondContact O-NH1 2.84Å; F98-R166 PolarHBondContact O-NH2 2.8Å
99E90.8Very high92.1Very high130 Ų13065 Ų6561%0.60734%0.338SS*.G310 helixtrans-53-35.3-178.3-172169.9-173.500116.1M89 P97 R166M89-E99 PolarHBondContact O-N 2.77Å; P97-E99 VanDerWaalsContact C-N 3.28Å; P97-E99 PolarHBondContact O-N 2.81Å; E99-R166 PolarHBondContact O-NH2 2.89Å
100E92.2Very high92.7Very high115 Ų11568.2 Ų68.254%0.53735%0.349SS..G310 helixtrans-88.1-5.2-175-65.4173.8-167.100113.6I96 P97 F98 N120I96-E100 HydrophobicContact CG2-CB 4.33Å; P97-E100 HydrophobicContact CG-CB 3.89Å; P97-E100 HydrophobicContact CG-CG 3.7Å; P97-E100 WeakPolarHBondContact CG-OE2 3.48Å; P97-E100 PolarHBondContact O-N 3.2Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 3.23Å; E100-N120 WeakPolarHBondContact CA-ND2 3.46Å; E100-N120 PolarHBondContact O-ND2 3.2Å
101M93.7Very high93.1Very high0 Ų064.2 Ų64.20%034%0.335CS..SBendtrans-74.4142.6-173.9-174.7-174.8-49.600113.2F93 I96 F98 N164 R166 I191F93-M101 HydrophobicContact CB-CE 3.94Å; F93-M101 HydrophobicContact CD2-CE 4.29Å; F93-M101 HydrophobicContact CG-CE 4.43Å; I96-M101 HydrophobicContact CG2-CB 4.41Å; F98-M101 WeakPolarHBondContact O-CB 3.46Å; F98-M101 PolarHBondContact O-N 3.14Å; M101-N164 HydrophobicContact CE-CB 4.39Å; M101-N164 HydrophobicContact CG-CB 4.07Å; M101-N164 WeakPolarHBondContact CG-O 3.4Å; M101-N164 HydrophobicContact SD-CB 4.03Å; M101-R166 HydrophobicContact CG-CG 4.33Å; M101-R166 PolarHBondContact O-NE 2.81Å; M101-R166 PolarHBondContact O-NH2 2.88Å; M101-R166 HydrophobicContact SD-CG 3.64Å; M101-I191 HydrophobicContact CE-CB 4.27Å; M101-I191 HydrophobicContact CE-CD1 3.26Å; M101-I191 HydrophobicContact CE-CG1 4.31Å; M101-I191 HydrophobicContact CE-CG2 4.12Å; M101-I191 HydrophobicContact SD-CB 3.98Å; M101-I191 HydrophobicContact SD-CD1 3.39Å; M101-I191 WeakPolarHBondContact SD-CD1 3.34Å; M101-I191 HydrophobicContact SD-CG1 4.22Å; M101-I191 HydrophobicContact SD-CG2 4.37Å
102H96.7Very high93.4Very high46 Ų4660.9 Ų60.921%0.21332%0.321CS..  trans-52.6146.8174-60.890000113.1T118 D119 I125 V162 V165 R166H102-T118 WeakPolarHBondContact CA-O 3.38Å; H102-D119 IonicContact CD2-OD1 2.7Å; H102-D119 IonicContact NE2-OD1 2.76Å; H102-I125 WeakPolarHBondContact CD2-CD1 3.21Å; H102-V162 HydrophobicContact CB-CG1 3.78Å; H102-V165 HydrophobicContact CB-CG2 4.46Å; H102-V165 WeakPolarHBondContact O-CA 3.49Å; H102-R166 PolarHBondContact O-N 3.1Å
103I97.2Very high93.8Very high26 Ų2656.9 Ų56.913%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-114.3128.8-177-56.3173.1000109.1V117 T118 R166 I168I103-V117 CarbonylContact O-C 3.57Å; I103-V117 WeakPolarHBondContact O-CA 3.48Å; I103-T118 PolarHBondContact N-O 3.48Å; I103-T118 PolarHBondContact O-N 3.33Å; I103-T118 PolarHBondContact O-OG1 3Å; I103-R166 CarbonylContact C-O 3.59Å; I103-R166 WeakPolarHBondContact CA-O 3.19Å; I103-I168 HydrophobicContact CG2-CB 4.45Å; I103-I168 HydrophobicContact CG2-CD1 3.59Å; I103-I168 HydrophobicContact CG2-CG1 3.85Å
104C97.8Very high94.3Very high1 Ų159.5 Ų59.51%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-101.8105.6169.8-84.30000109.6V106 T116 V117 V165 R166 I167 I168 L183C104-V106 PolarHBondContact O-N 3.37Å; C104-T116 CarbonylContact C-O 3.6Å; C104-V117 VanDerWaalsContact SG-CG2 3.53Å; C104-V165 HydrophobicContact CB-CG1 3.33Å; C104-V165 WeakPolarHBondContact SG-CG1 3.4Å; C104-R166 PolarHBondContact N-O 2.85Å; C104-I167 HydrophobicContact CB-CG1 4.22Å; C104-I167 WeakPolarHBondContact O-CA 3.45Å; C104-I168 PolarHBondContact O-N 3.34Å; C104-L183 HydrophobicContact CB-CD1 4.43Å
105H97.8Very high94.8Very high57 Ų5753.9 Ų53.926%0.26428%0.278SS..EExtended strand (participates in β ladder)trans-80.4112.5171.1-63.1-76.9000110.2I115 T116 T118 I168H105-I115 CarbonylContact O-C 3.59Å; H105-I115 WeakPolarHBondContact O-CA 3.28Å; H105-T116 PolarHBondContact N-O 2.99Å; H105-T116 PolarHBondContact O-N 3.41Å; H105-T118 PolarHBondContact CD2-OG1 3.14Å; H105-T118 VanDerWaalsContact CD2-OG1 3.23Å; H105-T118 PolarHBondContact NE2-OG1 3.02Å; H105-I168 CarbonylContact C-O 3.57Å; H105-I168 WeakPolarHBondContact CA-O 3.38Å
106V98.1Very high95.2Very high0 Ų052.5 Ų52.50%026%0.256CS..EExtended strand (participates in β ladder)trans-105.3101.4176.4-176.70000108.8C104 C108 V113 I115 I167 I168 I169 S170 L183C104-V106 PolarHBondContact O-N 3.37Å; V106-C108 VanDerWaalsContact CG1-SG 3.55Å; V106-V113 HydrophobicContact CG1-CG1 4.28Å; V106-I115 HydrophobicContact CG1-CG1 4.44Å; V106-I115 HydrophobicContact CG2-CG1 4.38Å; V106-I115 HydrophobicContact CG2-CG2 4.45Å; V106-I167 HydrophobicContact CB-CG2 4.46Å; V106-I167 HydrophobicContact CG2-CG2 3.79Å; V106-I168 PolarHBondContact N-O 3.43Å; V106-I169 CarbonylContact O-C 3.53Å; V106-I169 WeakPolarHBondContact O-CA 3.39Å; V106-S170 PolarHBondContact O-N 2.9Å; V106-L183 HydrophobicContact CG2-CD1 4.25Å
107K97.4Very high95.5Very high130 Ų13049.9 Ų49.957%0.56524%0.242SC*.EExtended strand (participates in β ladder)trans-91.8105.6176.3-174165.8-174.1155.60110.6V113 K114 S170K107-V113 WeakPolarHBondContact O-CA 3.41Å; K107-K114 HydrophobicContact CB-CB 4.39Å; K107-K114 PolarHBondContact N-O 2.96Å; K107-K114 PolarHBondContact O-N 3.34Å; K107-S170 WeakPolarHBondContact CA-OG 3.44Å
108C96Very high95.8Very high2 Ų248.7 Ų48.71%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-100.389.7-178.5-66.80000110.9V106 S170 G171 G173 R176V106-C108 VanDerWaalsContact CG1-SG 3.55Å; C108-S170 PolarHBondContact N-O 2.88Å; C108-G171 CarbonylContact O-C 3.58Å; C108-G173 PolarHBondContact O-N 3.33Å; C108-R176 HydrophobicContact CB-CB 4.45Å; C108-R176 VanDerWaalsContact SG-CA 3.51Å
109S95Very high96Very high57 Ų5749.5 Ų49.540%0.39924%0.24SC..EExtended strand (participates in β ladder)trans-87.4158.3168.3-175.30000110.6N111 N112S109-N111 PolarHBondContact O-N 2.76Å; S109-N111 VanDerWaalsContact O-N 3.08Å; S109-N112 WeakPolarHBondContact CA-O 3.38Å; S109-N112 WeakPolarHBondContact CB-O 3.42Å; S109-N112 PolarHBondContact N-O 2.98Å; S109-N112 PolarHBondContact O-N 3.42Å
110K93.7Very high96.1Very high163 Ų16345.7 Ų45.771%0.70922%0.224SC*.THydrogen-bonded Turntrans-56.7-23.1170.3-61.3-175.1180-174.70113.1
111N92.9Very high96.1Very high84 Ų8448.1 Ų48.145%0.44924%0.235SC..THydrogen-bonded Turntrans-109.3-10-173.7-70.2-29.4000114.6S109 K140 K141S109-N111 PolarHBondContact O-N 2.76Å; S109-N111 VanDerWaalsContact O-N 3.08Å; N111-K140 VanDerWaalsContact O-CE 3.29Å; N111-K140 WeakPolarHBondContact O-CE 3.4Å; N111-K140 VanDerWaalsContact O-CG 3.3Å; N111-K140 WeakPolarHBondContact O-CG 3.49Å; N111-K141 HydrophobicContact CB-CD 4.45Å; N111-K141 WeakPolarHBondContact OD1-CE 3.49Å; N111-K141 PolarHBondContact OD1-NZ 3.5Å
112N94.8Very high96.1Very high27 Ų2750.2 Ų50.214%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-171.2149.3-176.1-160.79.8000111.2S109 C130S109-N112 WeakPolarHBondContact CA-O 3.38Å; S109-N112 WeakPolarHBondContact CB-O 3.42Å; S109-N112 PolarHBondContact N-O 2.98Å; S109-N112 PolarHBondContact O-N 3.42Å; N112-C130 WeakPolarHBondContact OD1-CB 3.25Å
113V97.5Very high96Very high3 Ų350.8 Ų50.82%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-104.8132.3162.7-177.60000108.7V106 K107 I115 S129 C130 S179V106-V113 HydrophobicContact CG1-CG1 4.28Å; K107-V113 WeakPolarHBondContact O-CA 3.41Å; V113-I115 HydrophobicContact CG1-CG1 4.13Å; V113-S129 WeakPolarHBondContact O-CA 3.2Å; V113-S129 WeakPolarHBondContact O-CB 3.46Å; V113-C130 PolarHBondContact O-N 3.19Å; V113-S179 WeakPolarHBondContact CG1-OG 3.31Å
114K97.7Very high96Very high109 Ų10953.9 Ų53.947%0.47429%0.289SS..EExtended strand (participates in β ladder)trans-121.8132.7169.2-55.4-175.9177.2-172.80108.8K107K107-K114 HydrophobicContact CB-CB 4.39Å; K107-K114 PolarHBondContact N-O 2.96Å; K107-K114 PolarHBondContact O-N 3.34Å
115I98.2Very high95.9Very high0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-116.7125.8176.1-55.8179.8000107H105 V106 V113 Y127 T128 T149 A153H105-I115 CarbonylContact O-C 3.59Å; H105-I115 WeakPolarHBondContact O-CA 3.28Å; V106-I115 HydrophobicContact CG1-CG1 4.44Å; V106-I115 HydrophobicContact CG2-CG1 4.38Å; V106-I115 HydrophobicContact CG2-CG2 4.45Å; V113-I115 HydrophobicContact CG1-CG1 4.13Å; I115-Y127 WeakPolarHBondContact O-CA 3.31Å; I115-T128 PolarHBondContact N-O 2.93Å; I115-T128 PolarHBondContact O-N 3.46Å; I115-T149 HydrophobicContact CD1-CG2 4Å; I115-T149 HydrophobicContact CG1-CG2 4.16Å; I115-A153 HydrophobicContact CB-CB 4.18Å; I115-A153 HydrophobicContact CD1-CB 4.16Å; I115-A153 HydrophobicContact CG2-CB 3.81Å
116T98.1Very high95.8Very high38 Ų3853.4 Ų53.423%0.23329%0.288CS..EExtended strand (participates in β ladder)trans-126.6124.1176.3-52.90000107.6C104 H105 T118 V124 L126C104-T116 CarbonylContact C-O 3.6Å; H105-T116 PolarHBondContact N-O 2.99Å; H105-T116 PolarHBondContact O-N 3.41Å; T116-T118 HydrophobicContact CG2-CG2 4.23Å; T116-V124 HydrophobicContact CG2-CB 4.44Å; T116-V124 HydrophobicContact CG2-CG1 3.63Å; T116-V124 HydrophobicContact CG2-CG2 4.03Å; T116-L126 WeakPolarHBondContact CA-O 3.42Å
117V97.8Very high95.8Very high0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-98123.6174.9-167.50000107.2I103 C104 I125 L126 V162I103-V117 CarbonylContact O-C 3.57Å; I103-V117 WeakPolarHBondContact O-CA 3.48Å; C104-V117 VanDerWaalsContact SG-CG2 3.53Å; V117-I125 PolarHBondContact O-N 3.27Å; V117-L126 HydrophobicContact CB-CD1 4.36Å; V117-L126 HydrophobicContact CB-CD2 4.04Å; V117-L126 HydrophobicContact CB-CG 3.77Å; V117-L126 HydrophobicContact CG2-CD1 3.63Å; V117-L126 HydrophobicContact CG2-CD2 3.81Å; V117-L126 HydrophobicContact CG2-CG 3.56Å; V117-L126 PolarHBondContact N-O 2.99Å; V117-L126 PolarHBondContact O-N 3.38Å; V117-V162 HydrophobicContact CG1-CG1 4.38Å
118T97.8Very high95.8Very high5 Ų555.2 Ų55.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-118.9159.3178.649.20000110H102 I103 H105 T116 A123 V124H102-T118 WeakPolarHBondContact CA-O 3.38Å; I103-T118 PolarHBondContact N-O 3.48Å; I103-T118 PolarHBondContact O-N 3.33Å; I103-T118 PolarHBondContact O-OG1 3Å; H105-T118 PolarHBondContact CD2-OG1 3.14Å; H105-T118 VanDerWaalsContact CD2-OG1 3.23Å; H105-T118 PolarHBondContact NE2-OG1 3.02Å; T116-T118 HydrophobicContact CG2-CG2 4.23Å; T118-A123 CarbonylContact C-O 3.51Å; T118-A123 WeakPolarHBondContact CA-O 3.41Å; T118-A123 WeakPolarHBondContact CB-O 3.46Å; T118-V124 HydrophobicContact CG2-CB 4.47Å; T118-V124 HydrophobicContact CG2-CG2 3.9Å
119D95.5Very high95.8Very high47 Ų4756 Ų5625%0.25130%0.298SS..  trans-73.3172.4163.1-161.59000111.1H102 H121 G122 A123 I125H102-D119 IonicContact CD2-OD1 2.7Å; H102-D119 IonicContact NE2-OD1 2.76Å; D119-H121 PolarHBondContact O-N 3.3Å; D119-G122 PolarHBondContact O-N 2.93Å; D119-A123 HydrophobicContact CB-CB 4.33Å; D119-A123 PolarHBondContact N-O 2.83Å; D119-I125 HydrophobicContact CB-CD1 4.45Å
120N91.3Very high96Very high49 Ų4953.2 Ų53.226%0.26228%0.279SS..THydrogen-bonded Turntrans-57.9-33.5176.363.842000112.4E100 G122E100-N120 WeakPolarHBondContact CA-ND2 3.46Å; E100-N120 PolarHBondContact O-ND2 3.2Å; N120-G122 PolarHBondContact O-N 3.5Å
121H93.6Very high96.1Very high167 Ų16747.4 Ų47.477%0.77327%0.265SS*.THydrogen-bonded Turntrans-79.7-0.1177.1-62.1-57.3000113.4D119D119-H121 PolarHBondContact O-N 3.3Å
122G92.6Very high96.3Very high43 Ų4347.1 Ų47.144%0.44327%0.266SS..  trans845-179.100000114.9D119 N120 V124D119-G122 PolarHBondContact O-N 2.93Å; N120-G122 PolarHBondContact O-N 3.5Å; G122-V124 PolarHBondContact O-N 2.84Å
123A96.1Very high96.3Very high58 Ų5848.9 Ų48.948%0.47927%0.274SS..  trans-65.6125.8173.100000110.4T118 D119 I125T118-A123 CarbonylContact C-O 3.51Å; T118-A123 WeakPolarHBondContact CA-O 3.41Å; T118-A123 WeakPolarHBondContact CB-O 3.46Å; D119-A123 HydrophobicContact CB-CB 4.33Å; D119-A123 PolarHBondContact N-O 2.83Å; A123-I125 PolarHBondContact O-N 2.85Å
124V97Very high96.3Very high92 Ų9251.1 Ų51.156%0.55830%0.297SS*.EExtended strand (participates in β ladder)trans-76.4119-177.2178.90000110.3T116 T118 G122T116-V124 HydrophobicContact CG2-CB 4.44Å; T116-V124 HydrophobicContact CG2-CG1 3.63Å; T116-V124 HydrophobicContact CG2-CG2 4.03Å; T118-V124 HydrophobicContact CG2-CB 4.47Å; T118-V124 HydrophobicContact CG2-CG2 3.9Å; G122-V124 PolarHBondContact O-N 2.84Å
125I95.5Very high96.2Very high39 Ų3947.6 Ų47.620%0.228%0.282CS..EExtended strand (participates in β ladder)trans-85.2-59175.1-61.2176.6000108.3H102 V117 D119 A123 R160 V162H102-I125 WeakPolarHBondContact CD2-CD1 3.21Å; V117-I125 PolarHBondContact O-N 3.27Å; D119-I125 HydrophobicContact CB-CD1 4.45Å; A123-I125 PolarHBondContact O-N 2.85Å; I125-R160 HydrophobicContact CG2-CB 4.46Å; I125-R160 VanDerWaalsContact CG2-NH1 3.34Å; I125-R160 PolarHBondContact O-NH1 2.76Å; I125-R160 PolarHBondContact O-NH2 2.7Å; I125-R160 VanDerWaalsContact O-NH2 3.15Å; I125-V162 HydrophobicContact CD1-CG2 4.25Å
126L96Very high96.1Very high9 Ų955.1 Ų55.15%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-141.9155.7-178.673.598.1000111.1T116 V117 T128 K156 A157T116-L126 WeakPolarHBondContact CA-O 3.42Å; V117-L126 HydrophobicContact CB-CD1 4.36Å; V117-L126 HydrophobicContact CB-CD2 4.04Å; V117-L126 HydrophobicContact CB-CG 3.77Å; V117-L126 HydrophobicContact CG2-CD1 3.63Å; V117-L126 HydrophobicContact CG2-CD2 3.81Å; V117-L126 HydrophobicContact CG2-CG 3.56Å; V117-L126 PolarHBondContact N-O 2.99Å; V117-L126 PolarHBondContact O-N 3.38Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; L126-K156 HydrophobicContact CD1-CB 4.26Å; L126-K156 HydrophobicContact CD2-CB 4.15Å; L126-A157 HydrophobicContact CD2-CB 3.9Å
127Y97Very high96Very high165 Ų16559.5 Ų59.565%0.64734%0.336SS*.EExtended strand (participates in β ladder)trans-135.6144170.678.1-85.9000109.9I115 V132I115-Y127 WeakPolarHBondContact O-CA 3.31Å; Y127-V132 HydrophobicContact CE2-CG2 4.38Å
128T97.4Very high95.8Very high2 Ų264.2 Ų64.21%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-140.6157.6170.458.80000109.5I115 L126 A153 K156I115-T128 PolarHBondContact N-O 2.93Å; I115-T128 PolarHBondContact O-N 3.46Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; T128-A153 WeakPolarHBondContact OG1-CB 3.4Å; T128-K156 HydrophobicContact CG2-CD 3.53Å; T128-K156 VanDerWaalsContact CG2-NZ 3.32Å
129S97.3Very high95.7Very high18 Ų1872.2 Ų72.213%0.12640%0.398CS..EExtended strand (participates in β ladder)trans-148.8165.2172.667.90000109.3V113 G131 V132 E133V113-S129 WeakPolarHBondContact O-CA 3.2Å; V113-S129 WeakPolarHBondContact O-CB 3.46Å; S129-G131 PolarHBondContact O-N 2.86Å; S129-V132 PolarHBondContact O-N 3.46Å; S129-E133 PolarHBondContact O-N 3.32Å
130C97.5Very high95.7Very high0 Ų073.1 Ų73.10%040%0.4CS..THydrogen-bonded Turntrans-52.8-33.8176.2-58.20000112.1N112 V113 G134 F135 K140 A145 T149N112-C130 WeakPolarHBondContact OD1-CB 3.25Å; V113-C130 PolarHBondContact O-N 3.19Å; C130-G134 PolarHBondContact O-N 3.16Å; C130-F135 HydrophobicContact CB-CB 4.25Å; C130-F135 VanDerWaalsContact O-CB 3.29Å; C130-F135 WeakPolarHBondContact O-CB 3.42Å; C130-F135 WeakPolarHBondContact O-CD2 3.43Å; C130-F135 PolarHBondContact O-N 3.39Å; C130-K140 HydrophobicContact CB-CB 3.74Å; C130-K140 PolarHBondContact SG-O 3.38Å; C130-K140 VanDerWaalsContact SG-O 3.42Å; C130-A145 HydrophobicContact CB-CB 4.06Å; C130-T149 VanDerWaalsContact CA-OG1 3.25Å; C130-T149 WeakPolarHBondContact CA-OG1 3.38Å; C130-T149 PolarHBondContact N-OG1 3.4Å; C130-T149 PolarHBondContact SG-OG1 2.59Å
131G96.4Very high95.8Very high40 Ų4074.7 Ų74.741%0.41240%0.404SS..THydrogen-bonded Turntrans-67.5-34.6176.900000114.2S129 G134S129-G131 PolarHBondContact O-N 2.86Å; G131-G134 PolarHBondContact O-N 3Å
132V96.7Very high95.9Very high79 Ų7969.7 Ų69.748%0.47939%0.385SS..THydrogen-bonded Turntrans-71.8-36.8178.4174.80000110.6Y127 S129 G134Y127-V132 HydrophobicContact CE2-CG2 4.38Å; S129-V132 PolarHBondContact O-N 3.46Å; V132-G134 PolarHBondContact O-N 2.96Å; V132-G134 VanDerWaalsContact O-N 3.16Å
133E95.8Very high96Very high64 Ų6473.2 Ų73.230%0.29939%0.39SS..THydrogen-bonded Turntrans-76.58.9174.7-56-53.5142.300113S129 F135 A152 K156S129-E133 PolarHBondContact O-N 3.32Å; E133-F135 HydrophobicContact CB-CD2 4.22Å; E133-F135 HydrophobicContact CB-CE2 4.3Å; E133-A152 HydrophobicContact CG-CB 4Å; E133-A152 WeakPolarHBondContact OE1-CB 3.35Å; E133-A152 VanDerWaalsContact OE2-CB 3.31Å; E133-A152 WeakPolarHBondContact OE2-CB 3.38Å; E133-K156 IonicContact OE1-NZ 4Å; E133-K156 PolarHBondContact OE1-NZ 2.77Å
134G96.4Very high96Very high49 Ų4975.1 Ų75.151%0.50540%0.395SS..THydrogen-bonded Turntrans91.8-0.1172.400000115.8C130 G131 V132 K136C130-G134 PolarHBondContact O-N 3.16Å; G131-G134 PolarHBondContact O-N 3Å; V132-G134 PolarHBondContact O-N 2.96Å; V132-G134 VanDerWaalsContact O-N 3.16Å; G134-K136 PolarHBondContact O-N 3.49Å
135F97.3Very high96.1Very high35 Ų3570.7 Ų70.715%0.15437%0.369CS..  trans-74.5118175.5-62.2-89.1000111.1C130 E133 R139 K140 A145 A148C130-F135 HydrophobicContact CB-CB 4.25Å; C130-F135 VanDerWaalsContact O-CB 3.29Å; C130-F135 WeakPolarHBondContact O-CB 3.42Å; C130-F135 WeakPolarHBondContact O-CD2 3.43Å; C130-F135 PolarHBondContact O-N 3.39Å; E133-F135 HydrophobicContact CB-CD2 4.22Å; E133-F135 HydrophobicContact CB-CE2 4.3Å; F135-R139 HydrophobicContact CD1-CB 4.17Å; F135-K140 HydrophobicContact CB-CB 3.81Å; F135-K140 WeakPolarHBondContact O-CB 3.42Å; F135-A145 HydrophobicContact CB-CB 4.16Å; F135-A145 HydrophobicContact CD1-CB 3.69Å; F135-A145 HydrophobicContact CD2-CB 3.73Å; F135-A145 HydrophobicContact CE1-CB 3.94Å; F135-A145 HydrophobicContact CE2-CB 3.99Å; F135-A145 HydrophobicContact CG-CB 3.58Å; F135-A145 HydrophobicContact CZ-CB 4.09Å; F135-A148 HydrophobicContact CE2-CB 3.73Å; F135-A148 HydrophobicContact CZ-CB 3.94Å
136K95.6Very high96.2Very high158 Ų15868.9 Ų68.969%0.68736%0.359SS*.  trans-104.9153.9179.8-61.7-179.3-176.9179.30111.9G134 C138 R139G134-K136 PolarHBondContact O-N 3.49Å; K136-C138 PolarHBondContact O-N 3.16Å; K136-R139 WeakPolarHBondContact O-CB 3.47Å; K136-R139 PolarHBondContact O-N 3.44Å
137N95.3Very high96.3Very high131 Ų13172 Ų7270%0.70137%0.374SS*.G310 helixtrans50.2-123.4171.1-59.2-22.6000114.1R139 K140N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 3.42Å; N137-K140 WeakPolarHBondContact O-CG 3.34Å
138C94Very high96.3Very high98 Ų9865.8 Ų65.866%0.66236%0.357SS*.G310 helixtrans-65.9-28.6-178.3-60.70000112.6K136 K140 K141K136-C138 PolarHBondContact O-N 3.16Å; C138-K140 VanDerWaalsContact C-N 3.28Å; C138-K140 PolarHBondContact O-N 2.95Å; C138-K141 PolarHBondContact O-N 3.29Å
139R94.8Very high96.4Very high173 Ų17365.7 Ų65.765%0.65336%0.356SS*.G310 helixtrans-67.9-26.4-176.5-61.3178.666.2-176.1-0.1112.9F135 K136 N137 K141 T142 A145F135-R139 HydrophobicContact CD1-CB 4.17Å; K136-R139 WeakPolarHBondContact O-CB 3.47Å; K136-R139 PolarHBondContact O-N 3.44Å; N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 3.42Å; R139-K141 PolarHBondContact O-N 2.89Å; R139-T142 PolarHBondContact O-N 2.84Å; R139-T142 PolarHBondContact O-OG1 3.31Å; R139-A145 WeakPolarHBondContact O-CB 3.45Å
140K95.4Very high96.4Very high67 Ų6764.9 Ų64.929%0.29135%0.35SS..G310 helixtrans-75-11.1-179.787.4-167.5173.7178.10114N111 C130 F135 N137 C138N111-K140 VanDerWaalsContact O-CE 3.29Å; N111-K140 WeakPolarHBondContact O-CE 3.4Å; N111-K140 VanDerWaalsContact O-CG 3.3Å; N111-K140 WeakPolarHBondContact O-CG 3.49Å; C130-K140 HydrophobicContact CB-CB 3.74Å; C130-K140 PolarHBondContact SG-O 3.38Å; C130-K140 VanDerWaalsContact SG-O 3.42Å; F135-K140 HydrophobicContact CB-CB 3.81Å; F135-K140 WeakPolarHBondContact O-CB 3.42Å; N137-K140 WeakPolarHBondContact O-CG 3.34Å; C138-K140 VanDerWaalsContact C-N 3.28Å; C138-K140 PolarHBondContact O-N 2.95Å
141K93.3Very high96.4Very high82 Ų8267.2 Ų67.236%0.35736%0.362SS..G310 helixtrans-90.4-5.5-178.9-46.4-168.9-179.3-175.20112.8N111 C138 R139 P174N111-K141 HydrophobicContact CB-CD 4.45Å; N111-K141 WeakPolarHBondContact OD1-CE 3.49Å; N111-K141 PolarHBondContact OD1-NZ 3.5Å; C138-K141 PolarHBondContact O-N 3.29Å; R139-K141 PolarHBondContact O-N 2.89Å; K141-P174 WeakPolarHBondContact O-CG 3.46Å
142T95.7Very high96.5Very high61 Ų6166 Ų6637%0.37435%0.348SS..SBendtrans-86.1158.8-173.965.50000111.5R139 V144 A145 G146R139-T142 PolarHBondContact O-N 2.84Å; R139-T142 PolarHBondContact O-OG1 3.31Å; T142-V144 VanDerWaalsContact C-N 3.3Å; T142-V144 PolarHBondContact O-N 3.2Å; T142-A145 PolarHBondContact O-N 3.42Å; T142-A145 PolarHBondContact OG1-N 2.72Å; T142-G146 PolarHBondContact O-N 3.04Å
143E96.2Very high96.6Very high117 Ų11762.2 Ų62.255%0.54733%0.325SS..Hα-helixtrans-65.1-36.2177.5-60.1-176-173.200112.1A145 G146 Q147 P174 S178E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.2Å; E143-G146 CarbonylContact O-C 3.46Å; E143-G146 WeakPolarHBondContact O-CA 3.35Å; E143-G146 PolarHBondContact O-N 2.8Å; E143-Q147 PolarHBondContact O-N 2.87Å; E143-P174 HydrophobicContact CG-CB 4.06Å; E143-S178 VanDerWaalsContact O-CB 3.25Å; E143-S178 WeakPolarHBondContact O-CB 3.38Å; E143-S178 PolarHBondContact O-OG 3.28Å
144V96.5Very high96.6Very high98 Ų9859.1 Ų59.159%0.59431%0.311SS*.Hα-helixtrans-58.1-41.9175.6-178.80000111T142 G146 Q147 A148T142-V144 VanDerWaalsContact C-N 3.3Å; T142-V144 PolarHBondContact O-N 3.2Å; V144-G146 VanDerWaalsContact C-N 3.34Å; V144-Q147 PolarHBondContact O-N 2.8Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.88Å
145A97.5Very high96.7Very high0 Ų061.3 Ų61.30%031%0.309CS..Hα-helixtrans-66-37.8175.400000112C130 F135 R139 T142 E143 T149C130-A145 HydrophobicContact CB-CB 4.06Å; F135-A145 HydrophobicContact CB-CB 4.16Å; F135-A145 HydrophobicContact CD1-CB 3.69Å; F135-A145 HydrophobicContact CD2-CB 3.73Å; F135-A145 HydrophobicContact CE1-CB 3.94Å; F135-A145 HydrophobicContact CE2-CB 3.99Å; F135-A145 HydrophobicContact CG-CB 3.58Å; F135-A145 HydrophobicContact CZ-CB 4.09Å; R139-A145 WeakPolarHBondContact O-CB 3.45Å; T142-A145 PolarHBondContact O-N 3.42Å; T142-A145 PolarHBondContact OG1-N 2.72Å; E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.2Å; A145-T149 WeakPolarHBondContact O-CB 3.25Å; A145-T149 PolarHBondContact O-N 3.04Å; A145-T149 PolarHBondContact O-OG1 3.24Å
146G97.8Very high96.7Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-61.5-46.3173.300000112.5T142 E143 V144 T149 G150T142-G146 PolarHBondContact O-N 3.04Å; E143-G146 CarbonylContact O-C 3.46Å; E143-G146 WeakPolarHBondContact O-CA 3.35Å; E143-G146 PolarHBondContact O-N 2.8Å; V144-G146 VanDerWaalsContact C-N 3.34Å; G146-T149 PolarHBondContact O-N 3.39Å; G146-G150 PolarHBondContact O-N 3.31Å
147Q97.8Very high96.7Very high76 Ų7655.3 Ų55.336%0.35528%0.283SS..Hα-helixtrans-61.8-47.8177.4-169.7176.9-0.300112.1E143 V144 T149 G150 I151 S178E143-Q147 PolarHBondContact O-N 2.87Å; V144-Q147 PolarHBondContact O-N 2.8Å; Q147-T149 VanDerWaalsContact C-N 3.31Å; Q147-T149 PolarHBondContact O-N 3.29Å; Q147-G150 PolarHBondContact O-N 3.38Å; Q147-G150 VanDerWaalsContact O-N 3.14Å; Q147-I151 HydrophobicContact CG-CD1 4.32Å; Q147-I151 WeakPolarHBondContact O-CG1 3.15Å; Q147-I151 PolarHBondContact O-N 3.37Å; Q147-S178 WeakPolarHBondContact CA-O 3.46Å
148A98Very high96.8Very high34 Ų3452.3 Ų52.328%0.28127%0.267SS..Hα-helixtrans-60.6-40.8177.600000112F135 V144 G150 I151 A152F135-A148 HydrophobicContact CE2-CB 3.73Å; F135-A148 HydrophobicContact CZ-CB 3.94Å; V144-A148 WeakPolarHBondContact O-CB 3.29Å; V144-A148 PolarHBondContact O-N 2.88Å; A148-G150 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.26Å; A148-I151 PolarHBondContact O-N 2.81Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.89Å
149T98.3Very high96.9Very high0 Ų057.4 Ų57.40%027%0.272CS..Hα-helixtrans-63.5-39.7174.9-54.40000111.8I115 C130 A145 G146 Q147 A153I115-T149 HydrophobicContact CD1-CG2 4Å; I115-T149 HydrophobicContact CG1-CG2 4.16Å; C130-T149 VanDerWaalsContact CA-OG1 3.25Å; C130-T149 WeakPolarHBondContact CA-OG1 3.38Å; C130-T149 PolarHBondContact N-OG1 3.4Å; C130-T149 PolarHBondContact SG-OG1 2.59Å; A145-T149 WeakPolarHBondContact O-CB 3.25Å; A145-T149 PolarHBondContact O-N 3.04Å; A145-T149 PolarHBondContact O-OG1 3.24Å; G146-T149 PolarHBondContact O-N 3.39Å; Q147-T149 VanDerWaalsContact C-N 3.31Å; Q147-T149 PolarHBondContact O-N 3.29Å; T149-A153 VanDerWaalsContact O-CB 3.25Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.44Å
150G98Very high96.9Very high0 Ų056.6 Ų56.60%027%0.269CS..Hα-helixtrans-60.9-46.8174.300000112.4G146 Q147 A148 A153 G154 G182G146-G150 PolarHBondContact O-N 3.31Å; Q147-G150 PolarHBondContact O-N 3.38Å; Q147-G150 VanDerWaalsContact O-N 3.14Å; A148-G150 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.26Å; G150-A153 PolarHBondContact O-N 3.49Å; G150-G154 PolarHBondContact O-N 3.38Å; G150-G182 VanDerWaalsContact C-C 3.47Å; G150-G182 CarbonylContact C-O 3.57Å
151I98.3Very high96.8Very high50 Ų5055.9 Ų55.926%0.25628%0.28SS..Hα-helixtrans-61.6-48.7178.1-65.8168.7000110.4Q147 A148 A153 G154 M155 G182 L185Q147-I151 HydrophobicContact CG-CD1 4.32Å; Q147-I151 WeakPolarHBondContact O-CG1 3.15Å; Q147-I151 PolarHBondContact O-N 3.37Å; A148-I151 PolarHBondContact O-N 2.81Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 PolarHBondContact O-N 3.22Å; I151-G154 PolarHBondContact O-N 3.42Å; I151-M155 HydrophobicContact CG2-CE 3.61Å; I151-M155 HydrophobicContact CG2-CG 4.46Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; I151-M155 WeakPolarHBondContact O-CG 3.31Å; I151-M155 PolarHBondContact O-N 2.98Å; I151-G182 WeakPolarHBondContact CA-O 3.35Å; I151-G182 WeakPolarHBondContact CG1-O 3.14Å; I151-G182 PolarHBondContact N-O 3.27Å; I151-L185 HydrophobicContact CD1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CB 4.34Å
152A98Very high96.9Very high13 Ų1352.1 Ų52.111%0.10726%0.264CS..Hα-helixtrans-64.6-3818000000112.7E133 A148 K156E133-A152 HydrophobicContact CG-CB 4Å; E133-A152 WeakPolarHBondContact OE1-CB 3.35Å; E133-A152 VanDerWaalsContact OE2-CB 3.31Å; E133-A152 WeakPolarHBondContact OE2-CB 3.38Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.89Å; A152-K156 WeakPolarHBondContact O-CB 3.39Å; A152-K156 WeakPolarHBondContact O-CD 3.34Å; A152-K156 VanDerWaalsContact O-CG 3.24Å; A152-K156 WeakPolarHBondContact O-CG 3.25Å; A152-K156 PolarHBondContact O-N 2.78Å
153A97.8Very high96.8Very high0 Ų056.1 Ų56.10%028%0.277CS..Hα-helixtrans-61.8-47.2173.300000111.1I115 T128 T149 G150 I151 K156 A157 L183I115-A153 HydrophobicContact CB-CB 4.18Å; I115-A153 HydrophobicContact CD1-CB 4.16Å; I115-A153 HydrophobicContact CG2-CB 3.81Å; T128-A153 WeakPolarHBondContact OG1-CB 3.4Å; T149-A153 VanDerWaalsContact O-CB 3.25Å; T149-A153 WeakPolarHBondContact O-CB 3.41Å; T149-A153 PolarHBondContact O-N 3.44Å; G150-A153 PolarHBondContact O-N 3.49Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 PolarHBondContact O-N 3.22Å; A153-K156 PolarHBondContact O-N 3.01Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.31Å; A153-L183 HydrophobicContact CB-CD2 4Å
154G97.6Very high96.7Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-64.3-43-18000000112.6G150 I151 K156 A157 L158G150-G154 PolarHBondContact O-N 3.38Å; I151-G154 PolarHBondContact O-N 3.42Å; G154-K156 PolarHBondContact O-N 3.22Å; G154-A157 WeakPolarHBondContact O-CB 3.3Å; G154-A157 PolarHBondContact O-N 3.32Å; G154-L158 WeakPolarHBondContact O-CG 3.36Å; G154-L158 PolarHBondContact O-N 3.46Å
155M97.1Very high96.7Very high95 Ų9546.5 Ų46.547%0.46823%0.226SC..Hα-helixtrans-61.3-42174.2-71178.7175.700112.3I151 A157 R159 A186I151-M155 HydrophobicContact CG2-CE 3.61Å; I151-M155 HydrophobicContact CG2-CG 4.46Å; I151-M155 HydrophobicContact CG2-SD 4.07Å; I151-M155 WeakPolarHBondContact O-CG 3.31Å; I151-M155 PolarHBondContact O-N 2.98Å; M155-A157 VanDerWaalsContact C-N 3.34Å; M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 2.94Å; M155-A186 HydrophobicContact CG-CB 4.46Å
156K97.3Very high96.6Very high65 Ų6547.9 Ų47.928%0.28323%0.231SC..Hα-helixtrans-67-35.4175.9-72.9165.6-175.7167.10111.8L126 T128 E133 A152 A153 G154 R160L126-K156 HydrophobicContact CD1-CB 4.26Å; L126-K156 HydrophobicContact CD2-CB 4.15Å; T128-K156 HydrophobicContact CG2-CD 3.53Å; T128-K156 VanDerWaalsContact CG2-NZ 3.32Å; E133-K156 IonicContact OE1-NZ 4Å; E133-K156 PolarHBondContact OE1-NZ 2.77Å; A152-K156 WeakPolarHBondContact O-CB 3.39Å; A152-K156 WeakPolarHBondContact O-CD 3.34Å; A152-K156 VanDerWaalsContact O-CG 3.24Å; A152-K156 WeakPolarHBondContact O-CG 3.25Å; A152-K156 PolarHBondContact O-N 2.78Å; A153-K156 PolarHBondContact O-N 3.01Å; G154-K156 PolarHBondContact O-N 3.22Å; K156-R160 PolarHBondContact O-N 3.29Å
157A96.8Very high96.5Very high2 Ų247.9 Ų47.92%0.01723%0.231CC..Hα-helixtrans-66.9-46.3176.900000111.6L126 A153 G154 M155 R159 R160 G161 V162 V188L126-A157 HydrophobicContact CD2-CB 3.9Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.31Å; G154-A157 WeakPolarHBondContact O-CB 3.3Å; G154-A157 PolarHBondContact O-N 3.32Å; M155-A157 VanDerWaalsContact C-N 3.34Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.92Å; A157-R160 CarbonylContact O-C 3.56Å; A157-R160 WeakPolarHBondContact O-CA 3.41Å; A157-R160 PolarHBondContact O-N 3.35Å; A157-G161 PolarHBondContact O-N 3.44Å; A157-V162 HydrophobicContact CB-CB 4.1Å; A157-V162 HydrophobicContact CB-CG1 4.48Å; A157-V162 PolarHBondContact O-N 3.49Å; A157-V188 HydrophobicContact CB-CG2 4.46Å
158L96.6Very high96.5Very high68 Ų6846 Ų4636%0.35622%0.223SC..Hα-helixtrans-61-39.2177.4-72173000112.3G154 R160 G161 A186 V188G154-L158 WeakPolarHBondContact O-CG 3.36Å; G154-L158 PolarHBondContact O-N 3.46Å; L158-R160 PolarHBondContact O-N 2.75Å; L158-G161 PolarHBondContact O-N 3.4Å; L158-A186 WeakPolarHBondContact CD1-O 3.46Å; L158-V188 HydrophobicContact CD2-CG2 4.37Å; L158-V188 HydrophobicContact CG-CG2 4.09Å
159R96.2Very high96.5Very high204 Ų20444.8 Ų44.877%0.7721%0.211SC*.Hα-helixtrans-60.9-26.3174.5-73175-171.1170.43.3113.4M155 A157M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R159 PolarHBondContact O-N 2.92Å
160R94.6Very high96.4Very high156 Ų15646 Ų4659%0.58922%0.22SC*.THydrogen-bonded Turntrans-93.13.8175.9-65.1-175.3177.6-142.912.9113.2I125 K156 A157 L158I125-R160 HydrophobicContact CG2-CB 4.46Å; I125-R160 VanDerWaalsContact CG2-NH1 3.34Å; I125-R160 PolarHBondContact O-NH1 2.76Å; I125-R160 PolarHBondContact O-NH2 2.7Å; I125-R160 VanDerWaalsContact O-NH2 3.15Å; K156-R160 PolarHBondContact O-N 3.29Å; A157-R160 CarbonylContact O-C 3.56Å; A157-R160 WeakPolarHBondContact O-CA 3.41Å; A157-R160 PolarHBondContact O-N 3.35Å; L158-R160 PolarHBondContact O-N 2.75Å
161G93.8Very high96.2Very high52 Ų5246.9 Ų46.954%0.53623%0.229SC..THydrogen-bonded Turntrans85.26.5-179.700000115A157 L158 K163A157-G161 PolarHBondContact O-N 3.44Å; L158-G161 PolarHBondContact O-N 3.4Å; G161-K163 PolarHBondContact O-N 2.93Å
162V94.9Very high96Very high3 Ų350.5 Ų50.52%0.01825%0.249CC..  trans-80.9104.9178-178.30000109.5H102 V117 I125 A157 V165H102-V162 HydrophobicContact CB-CG1 3.78Å; V117-V162 HydrophobicContact CG1-CG1 4.38Å; I125-V162 HydrophobicContact CD1-CG2 4.25Å; A157-V162 HydrophobicContact CB-CB 4.1Å; A157-V162 HydrophobicContact CB-CG1 4.48Å; A157-V162 PolarHBondContact O-N 3.49Å; V162-V165 HydrophobicContact CG1-CG2 3.63Å
163K93.3Very high95.8Very high146 Ų14650.2 Ų50.264%0.63525%0.246SC*.  trans-99-40.5-180-63179.3-177.6177.80113.4G161 Q189G161-K163 PolarHBondContact O-N 2.93Å; K163-Q189 PolarHBondContact O-N 3.39Å
164N94.8Very high95.7Very high11 Ų1153 Ų536%0.05926%0.264CS..EExtended strand (participates in β ladder)trans-110.7132.1-173.1-63.4-45.4000109.8N94 I96 M101 I191N94-N164 PolarHBondContact ND2-OD1 3.39Å; I96-N164 HydrophobicContact CD1-CB 4.38Å; I96-N164 WeakPolarHBondContact CD1-ND2 3.24Å; M101-N164 HydrophobicContact CE-CB 4.39Å; M101-N164 HydrophobicContact CG-CB 4.07Å; M101-N164 WeakPolarHBondContact CG-O 3.4Å; M101-N164 HydrophobicContact SD-CB 4.03Å; N164-I191 HydrophobicContact CB-CD1 3.72Å
165V96Very high95.6Very high1 Ų153 Ų531%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-142.2141.4-172.8165.80000112H102 C104 V162 I167 V188 Q189 I191H102-V165 HydrophobicContact CB-CG2 4.46Å; H102-V165 WeakPolarHBondContact O-CA 3.49Å; C104-V165 HydrophobicContact CB-CG1 3.33Å; C104-V165 WeakPolarHBondContact SG-CG1 3.4Å; V162-V165 HydrophobicContact CG1-CG2 3.63Å; V165-I167 HydrophobicContact CG1-CG1 4.06Å; V165-V188 HydrophobicContact CB-CG1 3.81Å; V165-V188 HydrophobicContact CG2-CG1 3.51Å; V165-Q189 PolarHBondContact N-O 3.3Å; V165-I191 PolarHBondContact O-N 3.25Å
166R95.1Very high95.5Very high29 Ų2950.9 Ų50.911%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-97.7126.7163.4-67.6178.6-72.8176.2-6.3110.1F98 E99 M101 H102 I103 C104F98-R166 HydrophobicContact CD2-CG 4.38Å; F98-R166 HydrophobicContact CE2-CG 3.85Å; F98-R166 HydrophobicContact CZ-CG 4.2Å; F98-R166 PolarHBondContact O-NE 2.93Å; F98-R166 VanDerWaalsContact O-NE 3.14Å; F98-R166 PolarHBondContact O-NH1 2.84Å; F98-R166 PolarHBondContact O-NH2 2.8Å; E99-R166 PolarHBondContact O-NH2 2.89Å; M101-R166 HydrophobicContact CG-CG 4.33Å; M101-R166 PolarHBondContact O-NE 2.81Å; M101-R166 PolarHBondContact O-NH2 2.88Å; M101-R166 HydrophobicContact SD-CG 3.64Å; H102-R166 PolarHBondContact O-N 3.1Å; I103-R166 CarbonylContact C-O 3.59Å; I103-R166 WeakPolarHBondContact CA-O 3.19Å; C104-R166 PolarHBondContact N-O 2.85Å
167I97.2Very high95.4Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-97123.7-178.6-61.2-178.4000109.5C104 V106 V165 I169 I180 L183 V190 S192 I193 T194C104-I167 HydrophobicContact CB-CG1 4.22Å; C104-I167 WeakPolarHBondContact O-CA 3.45Å; V106-I167 HydrophobicContact CB-CG2 4.46Å; V106-I167 HydrophobicContact CG2-CG2 3.79Å; V165-I167 HydrophobicContact CG1-CG1 4.06Å; I167-I169 HydrophobicContact CG2-CG1 3.79Å; I167-I180 HydrophobicContact CD1-CG1 4.46Å; I167-I180 HydrophobicContact CD1-CG2 3.97Å; I167-I180 HydrophobicContact CG2-CG1 4.47Å; I167-L183 HydrophobicContact CD1-CD1 3.8Å; I167-L183 HydrophobicContact CG1-CD1 4.37Å; I167-V190 HydrophobicContact CD1-CB 4.21Å; I167-V190 HydrophobicContact CD1-CG1 3.46Å; I167-V190 VanDerWaalsContact CD1-CG1 3.46Å; I167-V190 HydrophobicContact CD1-CG2 3.69Å; I167-V190 HydrophobicContact CG1-CG1 3.95Å; I167-S192 PolarHBondContact N-O 3.04Å; I167-I193 HydrophobicContact CB-CG1 4.49Å; I167-I193 WeakPolarHBondContact O-CA 3.44Å; I167-T194 PolarHBondContact O-N 3.11Å
168I96.9Very high95.4Very high37 Ų3753.3 Ų53.319%0.1927%0.266CS..EExtended strand (participates in β ladder)trans-109.9119169.5-60.1179.8000108.4I103 C104 H105 V106 T194 W196I103-I168 HydrophobicContact CG2-CB 4.45Å; I103-I168 HydrophobicContact CG2-CD1 3.59Å; I103-I168 HydrophobicContact CG2-CG1 3.85Å; C104-I168 PolarHBondContact O-N 3.34Å; H105-I168 CarbonylContact C-O 3.57Å; H105-I168 WeakPolarHBondContact CA-O 3.38Å; V106-I168 PolarHBondContact N-O 3.43Å; I168-T194 CarbonylContact C-O 3.59Å; I168-T194 WeakPolarHBondContact CA-O 3.47Å; I168-W196 HydrophobicContact CG2-CB 3.5Å; I168-W196 VanDerWaalsContact CG2-CB 3.5Å; I168-W196 HydrophobicContact CG2-CE3 4.28Å; I168-W196 HydrophobicContact CG2-CG 4.39Å
169I97.5Very high95.4Very high8 Ų850.1 Ų50.14%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-103.2132.6-177.4-50.2163.8000109.7V106 I167 R176 I180 I193 T194 W196V106-I169 CarbonylContact O-C 3.53Å; V106-I169 WeakPolarHBondContact O-CA 3.39Å; I167-I169 HydrophobicContact CG2-CG1 3.79Å; I169-R176 HydrophobicContact CD1-CG 4.47Å; I169-R176 HydrophobicContact CG2-CG 3.66Å; I169-R176 VanDerWaalsContact CG2-NE 3.28Å; I169-I180 HydrophobicContact CD1-CD1 3.39Å; I169-I180 HydrophobicContact CD1-CG1 4.18Å; I169-I180 HydrophobicContact CG1-CD1 4.32Å; I169-I193 HydrophobicContact CD1-CG2 3.44Å; I169-I193 VanDerWaalsContact CD1-CG2 3.44Å; I169-I193 HydrophobicContact CG1-CG2 4.28Å; I169-T194 PolarHBondContact N-O 2.9Å; I169-W196 CarbonylContact O-C 3.35Å; I169-W196 PolarHBondContact O-N 2.75Å
170S96.1Very high95.4Very high25 Ų2541.1 Ų41.118%0.17522%0.216CC..EExtended strand (participates in β ladder)trans-122128.2172.953.90000111.3V106 K107 C108 W196V106-S170 PolarHBondContact O-N 2.9Å; K107-S170 WeakPolarHBondContact CA-OG 3.44Å; C108-S170 PolarHBondContact N-O 2.88Å; S170-W196 WeakPolarHBondContact CA-O 3.36Å; S170-W196 WeakPolarHBondContact CB-O 3.47Å
171G94.8Very high95.6Very high19 Ų1941.5 Ų41.520%0.19622%0.218CC..SBendtrans87.6157.9175.200000115.4C108 R176 T197C108-G171 CarbonylContact O-C 3.58Å; G171-R176 PolarHBondContact O-NE 3.26Å; G171-T197 PolarHBondContact N-OG1 2.63Å
172L93.3Very high95.8Very high127 Ų12739 Ų3967%0.66519%0.192SC*.  trans-104.249.1-175.1-81.565.8000111.9T197L172-T197 HydrophobicContact CD1-CG2 4.36Å
173G95Very high95.9Very high6 Ų639 Ų396%0.06219%0.192CC..  trans-78.5160.3172.400000112.8C108 G175 R176C108-G173 PolarHBondContact O-N 3.33Å; G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.37Å; G173-R176 WeakPolarHBondContact O-CB 3.41Å; G173-R176 PolarHBondContact O-N 3.39Å
174P94.6Very high96Very high58 Ų5834.6 Ų34.638%0.37718%0.183SC..THydrogen-bonded Turntrans-61.7-3418026.2-35.1000112.4K141 E143 R176K141-P174 WeakPolarHBondContact O-CG 3.46Å; E143-P174 HydrophobicContact CG-CB 4.06Å; P174-R176 PolarHBondContact O-N 3.05Å
175G95Very high96.2Very high1 Ų139.6 Ų39.61%0.0121%0.209CC..THydrogen-bonded Turntrans-7214.7-17900000115.9G173 S178 S179G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.37Å; G175-S178 WeakPolarHBondContact CA-OG 2.97Å; G175-S178 PolarHBondContact O-OG 3.08Å; G175-S179 VanDerWaalsContact O-CB 3.31Å; G175-S179 WeakPolarHBondContact O-CB 3.29Å; G175-S179 PolarHBondContact O-N 3.4Å; G175-S179 PolarHBondContact O-OG 3.15Å
176R95.1Very high96.2Very high51 Ų5140.4 Ų40.419%0.19222%0.215CC..Hα-helixtrans-63.4-66-174.2-159.4-178.6-152.1173.810.3112.7C108 I169 G171 G173 P174 D195C108-R176 HydrophobicContact CB-CB 4.45Å; C108-R176 VanDerWaalsContact SG-CA 3.51Å; I169-R176 HydrophobicContact CD1-CG 4.47Å; I169-R176 HydrophobicContact CG2-CG 3.66Å; I169-R176 VanDerWaalsContact CG2-NE 3.28Å; G171-R176 PolarHBondContact O-NE 3.26Å; G173-R176 WeakPolarHBondContact O-CB 3.41Å; G173-R176 PolarHBondContact O-N 3.39Å; P174-R176 PolarHBondContact O-N 3.05Å; R176-D195 IonicContact CZ-OD1 2.81Å; R176-D195 IonicContact CZ-OD2 3.92Å; R176-D195 IonicContact NH1-OD2 3.4Å; R176-D195 PolarHBondContact NH1-OD2 2.97Å; R176-D195 IonicContact NH2-OD1 3.93Å; R176-D195 PolarHBondContact NH2-OD1 3.05Å; R176-D195 IonicContact NH2-OD2 3.49Å; R176-D195 PolarHBondContact NH2-OD2 2.72Å
177M95.1Very high96.1Very high109 Ų10941.2 Ų41.254%0.53723%0.233SC..Hα-helixtrans-71.1-33.9-177-65.6-57.2-69.700111.9S179 I180 R181M177-S179 VanDerWaalsContact C-N 3.33Å; M177-S179 PolarHBondContact O-N 3.01Å; M177-I180 PolarHBondContact O-N 2.67Å; M177-I180 HydrophobicContact SD-CD1 4.1Å; M177-R181 WeakPolarHBondContact O-CG 3.41Å; M177-R181 PolarHBondContact O-N 3.3Å
178S96.9Very high96Very high9 Ų941.5 Ų41.56%0.06324%0.235CC..Hα-helixtrans-65-36.4-18063.70000112.7E143 Q147 G175 R181 G182E143-S178 VanDerWaalsContact O-CB 3.25Å; E143-S178 WeakPolarHBondContact O-CB 3.38Å; E143-S178 PolarHBondContact O-OG 3.28Å; Q147-S178 WeakPolarHBondContact CA-O 3.46Å; G175-S178 WeakPolarHBondContact CA-OG 2.97Å; G175-S178 PolarHBondContact O-OG 3.08Å; S178-R181 PolarHBondContact O-N 3.39Å; S178-G182 PolarHBondContact O-N 3.49Å
179S96.9Very high96Very high0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-66.5-42177.1-57.90000112.5V113 G175 M177 G182 L183V113-S179 WeakPolarHBondContact CG1-OG 3.31Å; G175-S179 VanDerWaalsContact O-CB 3.31Å; G175-S179 WeakPolarHBondContact O-CB 3.29Å; G175-S179 PolarHBondContact O-N 3.4Å; G175-S179 PolarHBondContact O-OG 3.15Å; M177-S179 VanDerWaalsContact C-N 3.33Å; M177-S179 PolarHBondContact O-N 3.01Å; S179-G182 PolarHBondContact O-N 3.49Å; S179-L183 PolarHBondContact O-N 2.78Å
180I97.4Very high95.9Very high15 Ų1546.6 Ų46.68%0.07726%0.26CS..Hα-helixtrans-63.7-47.5176.2-58163.7000110I167 I169 M177 G182 L183 A184 I193I167-I180 HydrophobicContact CD1-CG1 4.46Å; I167-I180 HydrophobicContact CD1-CG2 3.97Å; I167-I180 HydrophobicContact CG2-CG1 4.47Å; I169-I180 HydrophobicContact CD1-CD1 3.39Å; I169-I180 HydrophobicContact CD1-CG1 4.18Å; I169-I180 HydrophobicContact CG1-CD1 4.32Å; M177-I180 PolarHBondContact O-N 2.67Å; M177-I180 HydrophobicContact SD-CD1 4.1Å; I180-G182 VanDerWaalsContact C-N 3.28Å; I180-G182 PolarHBondContact O-N 3.42Å; I180-L183 PolarHBondContact O-N 2.97Å; I180-A184 PolarHBondContact O-N 3.41Å; I180-I193 HydrophobicContact CD1-CG2 4.3Å; I180-I193 HydrophobicContact CG2-CD1 3.87Å
181R97.5Very high95.7Very high165 Ų16547.5 Ų47.562%0.62326%0.263SS*.Hα-helixtrans-58.9-41.1175.4-72.3177.5-178.1174.30.6111.3M177 S178 L183 A184 L185M177-R181 WeakPolarHBondContact O-CG 3.41Å; M177-R181 PolarHBondContact O-N 3.3Å; S178-R181 PolarHBondContact O-N 3.39Å; R181-L183 PolarHBondContact O-N 2.94Å; R181-A184 PolarHBondContact O-N 3.45Å; R181-L185 WeakPolarHBondContact O-CB 3.18Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.46Å; R181-L185 PolarHBondContact O-N 3.24Å
182G97.9Very high95.6Very high0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-61.7-41176.300000113.3G150 I151 S178 S179 I180 L185 A186G150-G182 VanDerWaalsContact C-C 3.47Å; G150-G182 CarbonylContact C-O 3.57Å; I151-G182 WeakPolarHBondContact CA-O 3.35Å; I151-G182 WeakPolarHBondContact CG1-O 3.14Å; I151-G182 PolarHBondContact N-O 3.27Å; S178-G182 PolarHBondContact O-N 3.49Å; S179-G182 PolarHBondContact O-N 3.49Å; I180-G182 VanDerWaalsContact C-N 3.28Å; I180-G182 PolarHBondContact O-N 3.42Å; G182-L185 PolarHBondContact O-N 2.83Å; G182-A186 PolarHBondContact O-N 2.71Å; G182-A186 VanDerWaalsContact O-N 3.17Å
183L97.1Very high95.7Very high2 Ų246.6 Ų46.61%0.0126%0.256CS..Hα-helixtrans-63.3-43.6174.5-76.8167.3000111.8C104 V106 A153 I167 S179 I180 R181 A186 V188C104-L183 HydrophobicContact CB-CD1 4.43Å; V106-L183 HydrophobicContact CG2-CD1 4.25Å; A153-L183 HydrophobicContact CB-CD2 4Å; I167-L183 HydrophobicContact CD1-CD1 3.8Å; I167-L183 HydrophobicContact CG1-CD1 4.37Å; S179-L183 PolarHBondContact O-N 2.78Å; I180-L183 PolarHBondContact O-N 2.97Å; R181-L183 PolarHBondContact O-N 2.94Å; L183-A186 PolarHBondContact O-N 2.91Å; L183-V188 PolarHBondContact O-N 2.9Å
184A96.6Very high95.6Very high54 Ų5449.5 Ų49.545%0.44627%0.273SS..Hα-helixtrans-63.8-42.9176.900000112I180 R181 A186 G187I180-A184 PolarHBondContact O-N 3.41Å; R181-A184 PolarHBondContact O-N 3.45Å; A184-A186 VanDerWaalsContact C-N 3.26Å; A184-A186 PolarHBondContact O-N 3.47Å; A184-G187 PolarHBondContact O-N 2.72Å
185L97.7Very high95.6Very high116 Ų11650.9 Ų50.961%0.60728%0.277SS*.Hα-helixtrans-63.1-29.1177.4-73.8171.6000113.4I151 R181 G182 G187I151-L185 HydrophobicContact CD1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CB 4.34Å; R181-L185 WeakPolarHBondContact O-CB 3.18Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.46Å; R181-L185 PolarHBondContact O-N 3.24Å; G182-L185 PolarHBondContact O-N 2.83Å; L185-G187 PolarHBondContact O-N 2.96Å
186A95.7Very high95.5Very high17 Ų1758.9 Ų58.914%0.1431%0.307CS..THydrogen-bonded Turntrans-70-15.1175.200000113.4M155 L158 G182 L183 A184M155-A186 HydrophobicContact CG-CB 4.46Å; L158-A186 WeakPolarHBondContact CD1-O 3.46Å; G182-A186 PolarHBondContact O-N 2.71Å; G182-A186 VanDerWaalsContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 2.91Å; A184-A186 VanDerWaalsContact C-N 3.26Å; A184-A186 PolarHBondContact O-N 3.47Å
187G94.4Very high95.5Very high47 Ų4758.8 Ų58.849%0.48531%0.312SS..THydrogen-bonded Turntrans96.112-176.900000114.6A184 L185A184-G187 PolarHBondContact O-N 2.72Å; L185-G187 PolarHBondContact O-N 2.96Å
188V95.4Very high95.2Very high5 Ų557.9 Ų57.93%0.0331%0.314CS..  trans-79130.9171.1179.30000109.2A157 L158 V165 L183 V190A157-V188 HydrophobicContact CB-CG2 4.46Å; L158-V188 HydrophobicContact CD2-CG2 4.37Å; L158-V188 HydrophobicContact CG-CG2 4.09Å; V165-V188 HydrophobicContact CB-CG1 3.81Å; V165-V188 HydrophobicContact CG2-CG1 3.51Å; L183-V188 PolarHBondContact O-N 2.9Å; V188-V190 PolarHBondContact O-N 3.12Å
189Q95.4Very high94.8Very high110 Ų11065.1 Ų65.151%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-76.5111.5177.2-65.7-67.5-16.200109.9K163 V165K163-Q189 PolarHBondContact O-N 3.39Å; V165-Q189 PolarHBondContact N-O 3.3Å
190V95.4Very high94.1Very high43 Ų4369.2 Ų69.226%0.26138%0.378SS..EExtended strand (participates in β ladder)trans-89.8110.9177.6179.60000108.8I167 V188 I193I167-V190 HydrophobicContact CD1-CB 4.21Å; I167-V190 HydrophobicContact CD1-CG1 3.46Å; I167-V190 VanDerWaalsContact CD1-CG1 3.46Å; I167-V190 HydrophobicContact CD1-CG2 3.69Å; I167-V190 HydrophobicContact CG1-CG1 3.95Å; V188-V190 PolarHBondContact O-N 3.12Å; V190-I193 HydrophobicContact CG1-CD1 4.25Å; V190-I193 HydrophobicContact CG1-CG1 3.85Å
191I93.1Very high93.6Very high44 Ų4477.7 Ų77.723%0.22642%0.417CS..EExtended strand (participates in β ladder)trans-96.8-38-172.6-72.1160.4000112.3F93 M101 N164 V165F93-I191 HydrophobicContact CB-CD1 3.82Å; F93-I191 HydrophobicContact CB-CG1 4.49Å; F93-I191 HydrophobicContact CB-CG2 4.3Å; F93-I191 HydrophobicContact CD1-CG2 3.77Å; F93-I191 HydrophobicContact CD2-CG2 3.92Å; F93-I191 HydrophobicContact CE1-CG2 4Å; F93-I191 HydrophobicContact CE2-CG2 4.14Å; F93-I191 HydrophobicContact CG-CD1 4.45Å; F93-I191 HydrophobicContact CG-CG2 3.72Å; F93-I191 HydrophobicContact CZ-CG2 4.17Å; M101-I191 HydrophobicContact CE-CB 4.27Å; M101-I191 HydrophobicContact CE-CD1 3.26Å; M101-I191 HydrophobicContact CE-CG1 4.31Å; M101-I191 HydrophobicContact CE-CG2 4.12Å; M101-I191 HydrophobicContact SD-CB 3.98Å; M101-I191 HydrophobicContact SD-CD1 3.39Å; M101-I191 WeakPolarHBondContact SD-CD1 3.34Å; M101-I191 HydrophobicContact SD-CG1 4.22Å; M101-I191 HydrophobicContact SD-CG2 4.37Å; N164-I191 HydrophobicContact CB-CD1 3.72Å; V165-I191 PolarHBondContact O-N 3.25Å
192S92.2Very high93Very high34 Ų3478 Ų7824%0.23843%0.43CS..EExtended strand (participates in β ladder)trans-142.5148.9176.61790000110.7I167I167-S192 PolarHBondContact N-O 3.04Å
193I94.7Very high92.3Very high92 Ų9279.8 Ų79.847%0.47245%0.449SS..EExtended strand (participates in β ladder)trans-124.3117.6175.2-58.7171.4000107.1I167 I169 I180 V190I167-I193 HydrophobicContact CB-CG1 4.49Å; I167-I193 WeakPolarHBondContact O-CA 3.44Å; I169-I193 HydrophobicContact CD1-CG2 3.44Å; I169-I193 VanDerWaalsContact CD1-CG2 3.44Å; I169-I193 HydrophobicContact CG1-CG2 4.28Å; I180-I193 HydrophobicContact CD1-CG2 4.3Å; I180-I193 HydrophobicContact CG2-CD1 3.87Å; V190-I193 HydrophobicContact CG1-CD1 4.25Å; V190-I193 HydrophobicContact CG1-CG1 3.85Å
194T94.1Very high91.6Very high68 Ų6884.9 Ų84.942%0.41748%0.482SS..EExtended strand (participates in β ladder)trans-120.8132.6179.8-51.60000109.9I167 I168 I169I167-T194 PolarHBondContact O-N 3.11Å; I168-T194 CarbonylContact C-O 3.59Å; I168-T194 WeakPolarHBondContact CA-O 3.47Å; I169-T194 PolarHBondContact N-O 2.9Å
195D94Very high91.4Very high87 Ų8793.5 Ų93.547%0.46550%0.503SS..EExtended strand (participates in β ladder)trans-86.6119.2169.6-172.92.9000109.9R176 T197R176-D195 IonicContact CZ-OD1 2.81Å; R176-D195 IonicContact CZ-OD2 3.92Å; R176-D195 IonicContact NH1-OD2 3.4Å; R176-D195 PolarHBondContact NH1-OD2 2.97Å; R176-D195 IonicContact NH2-OD1 3.93Å; R176-D195 PolarHBondContact NH2-OD1 3.05Å; R176-D195 IonicContact NH2-OD2 3.49Å; R176-D195 PolarHBondContact NH2-OD2 2.72Å; D195-T197 PolarHBondContact OD1-N 3.32Å; D195-T197 PolarHBondContact OD1-OG1 3.24Å
196W93.7Very high91Very high169 Ų16993.5 Ų93.564%0.6451%0.51SS*.  trans-124.674.8171.2-171.454000109.6I168 I169 S170 P198I168-W196 HydrophobicContact CG2-CB 3.5Å; I168-W196 VanDerWaalsContact CG2-CB 3.5Å; I168-W196 HydrophobicContact CG2-CE3 4.28Å; I168-W196 HydrophobicContact CG2-CG 4.39Å; I169-W196 CarbonylContact O-C 3.35Å; I169-W196 PolarHBondContact O-N 2.75Å; S170-W196 WeakPolarHBondContact CA-O 3.36Å; S170-W196 WeakPolarHBondContact CB-O 3.47Å; W196-P198 WeakPolarHBondContact O-CD 3.49Å
197T94.2Very high90.7Very high48 Ų48103.6 Ų103.629%0.29454%0.544SS..  trans-91.8112172-62.20000108.8G171 L172 D195 L199G171-T197 PolarHBondContact N-OG1 2.63Å; L172-T197 HydrophobicContact CD1-CG2 4.36Å; D195-T197 PolarHBondContact OD1-N 3.32Å; D195-T197 PolarHBondContact OD1-OG1 3.24Å; T197-L199 PolarHBondContact O-N 3.46Å
198P89.5Confident90.8Very high91 Ų91109.9 Ų109.959%0.59156%0.559SS**  trans-67.1131.2-175.826.7-34.3000110.9W196W196-P198 WeakPolarHBondContact O-CD 3.49Å
199L87.1Confident90.6Very high161 Ų161118 Ų11884%0.84360%0.596SS**  trans-101.2115.9170.7-68.4172.9000108.5T197 E201T197-L199 PolarHBondContact O-N 3.46Å; L199-E201 PolarHBondContact O-N 3.26Å
200P83.8Confident90.4Very high85 Ų85122.8 Ų122.855%0.55261%0.609SS**  trans-72.6127.1176.227.9-31.7000110.3L202 G203P200-L202 PolarHBondContact O-N 3.5Å; P200-G203 PolarHBondContact O-N 2.74Å
201E85.4Confident90.3Very high194 Ų194131.9 Ų131.991%0.90764%0.639SS**THydrogen-bonded Turntrans-56.8-47.4-177.9-174.9174.8-168.200113L199L199-E201 PolarHBondContact O-N 3.26Å
202L85.7Confident89.8Confident170 Ų170140.9 Ų140.989%0.8969%0.685SS**THydrogen-bonded Turntrans-97.43.3-179.1-70.1170.5000114P200P200-L202 PolarHBondContact O-N 3.5Å
203G82.1Confident89.7Confident38 Ų38146.3 Ų146.339%0.39271%0.708SS.*  trans62.8156.3-172.900000113.8P200P200-G203 PolarHBondContact O-N 2.74Å
204P83.8Confident89.5Confident110 Ų110149.1 Ų149.171%0.71472%0.72SS**PPolyproline II helixtrans-71.2147.1170.830.1-33.1000110.6
205R92.9Very high89.2Confident234 Ų234153.6 Ų153.688%0.88374%0.737SS**PPolyproline II helixtrans-51.7129.2166.4-179-179.1176.4108.8-0.9108.9R207R205-R207 PolarHBondContact O-N 3.08Å
206P88.6Confident88.9Confident116 Ų116157.5 Ų157.575%0.75375%0.753SS**PPolyproline II helixtrans-52.7129.5176.4-27.534.6000111.1
207R89.8Confident88.6Confident229 Ų229156.8 Ų156.886%0.86476%0.76SS**PPolyproline II helixtrans-61.6143.2177.365.8-177.6179.9-179.3-0.4109.9R205 Q209R205-R207 PolarHBondContact O-N 3.08Å; R207-Q209 PolarHBondContact O-N 3.35Å
208K95.2Very high88.3Confident180 Ų180164.1 Ų164.178%0.78379%0.791SS**PPolyproline II helixtrans-53.6130.4171.4-175.3175.4-179.3176.50109.5R210K208-R210 PolarHBondContact O-N 3.08Å
209Q92.2Very high88.2Confident176 Ų176169.3 Ų169.382%0.82281%0.805SS**PPolyproline II helixtrans-59.6132.9174.6-174.7162.7-25.500109.5R207 R211R207-Q209 PolarHBondContact O-N 3.35Å; Q209-R211 PolarHBondContact O-N 3.23Å
210R91.5Very high88.3Confident209 Ų209169.9 Ų169.979%0.78980%0.802SS**PPolyproline II helixtrans-71.2132179-62-178.778.2-172.83.1108.2K208K208-R210 PolarHBondContact O-N 3.08Å
211R92Very high88.6Confident235 Ų235177 Ų17789%0.88782%0.823SS**PPolyproline II helixtrans-73.7121.7162.7-62.6-178.3177.9-134.7-0.9106.1Q209Q209-R211 PolarHBondContact O-N 3.23Å
212I84.4Confident88.9Confident233 Ų233175.5 Ų175.5100%1.19582%0.816SS**  trans-104.50170.1-59.3176.7000105.6

Retrieved 212 of 212 residues in 47.9 ms (Link to these results)