A0A087Y996_POEFO Loading...

RNA binding motif protein 15B

AlphaFold DB , UniProt , Accession A0A087Y996, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 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
1M40.2Very low38.9Very low229 Ų229157.4 Ų157.4100%1.12883%0.827SS**  0159.60-85161.259.600110.1
2K41.4Very low39.6Very low169 Ų169151.8 Ų151.874%0.73581%0.811SS**  trans9.6121158-61.2177.4176.91800118.2
3R39.7Very low40.1Very low258 Ų258156.4 Ų156.497%0.97481%0.81SS**  trans-79.4144.9135-78.7-174.8171.9-168.9-3.1108
4Q37.3Very low40.5Very low168 Ų168149.7 Ų149.779%0.78579%0.789SS**  trans-139.2110.8173.6-169.8162.7-22.300107.9
5A36.9Very low41.3Very low96 Ų96147.1 Ų147.179%0.79378%0.775SS**  trans-95.8127.1-177.100000110.3
6G35.2Very low41.9Very low82 Ų82141.8 Ų141.885%0.84576%0.758SS**  trans-63.8143.7163.900000110
7R36Very low42.5Very low238 Ų238140.5 Ų140.590%0.89874%0.744SS**  trans-131.297-175.2-173.5-175.7-170.8176.85109.9
8E34.9Very low43.1Very low191 Ų191144 Ų14489%0.89375%0.745SS**  trans-64.3150.7177.3-61.5-175.1159.900111.9
9S37.2Very low43.9Very low113 Ų113141.5 Ų141.579%0.7973%0.732SS**  trans-110.8111.7-167.147.90000112.1
10S41.6Very low44.3Very low86 Ų86142.8 Ų142.860%0.60173%0.727SS**  trans-62.4137.3-179.9-41.60000112.5S12 R13S10-S12 PolarHBondContact O-N 3.46Å; S10-S12 VanDerWaalsContact O-N 3.12Å; S10-R13 PolarHBondContact O-N 3.01Å
11P47.1Very low44.4Very low101 Ų101140.4 Ų140.466%0.65671%0.713SS**THydrogen-bonded Turntrans-62.9-26.2-169.823.3-34.5000114.2R13 A14P11-R13 PolarHBondContact O-N 2.56Å; P11-A14 PolarHBondContact O-N 3.29Å
12S47.8Very low45Very low90 Ų90138.9 Ų138.963%0.62970%0.695SS**Hα-helixtrans-53.7-28177.9-34.20000113.5S10 A16S10-S12 PolarHBondContact O-N 3.46Å; S10-S12 VanDerWaalsContact O-N 3.12Å; S12-A16 PolarHBondContact O-N 2.97Å
13R46.3Very low45.2Very low212 Ų212136.6 Ų136.680%0.869%0.687SS**Hα-helixtrans-80.1-22.9-179.2-160.1173.4-174.7-173.40.5113.5S10 P11 K17S10-R13 PolarHBondContact O-N 3.01Å; P11-R13 PolarHBondContact O-N 2.56Å; R13-K17 PolarHBondContact O-N 3.41Å
14A46Very low45.4Very low63 Ų63132.4 Ų132.452%0.52167%0.671SS.*Hα-helixtrans-74.7-42.7176.900000111.6P11 K17 R18P11-A14 PolarHBondContact O-N 3.29Å; A14-K17 WeakPolarHBondContact O-CB 3.36Å; A14-K17 PolarHBondContact O-N 2.89Å; A14-K17 VanDerWaalsContact O-N 3.13Å; A14-R18 PolarHBondContact O-N 3.49Å
15I52.2Low45.6Very low111 Ų111131.1 Ų131.157%0.56967%0.665SS**Hα-helixtrans-62.5-47177.8-60.6172.6000110.4K17 R18 I19I15-K17 PolarHBondContact O-N 3.01Å; I15-R18 PolarHBondContact O-N 2.87Å; I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.32Å; I15-I19 VanDerWaalsContact O-N 3.13Å
16A50.7Low45.9Very low61 Ų61130.1 Ų130.150%0.50465%0.652SS.*Hα-helixtrans-62.7-22175.900000113.9S12 R20S12-A16 PolarHBondContact O-N 2.97Å; A16-R20 WeakPolarHBondContact O-CB 3.17Å
17K52.4Low46.4Very low120 Ų120130 Ų13052%0.52264%0.643SS.*Hα-helixtrans-80.4-46.7174.3-165.9174.4175.9-74.40111.2R13 A14 I15 I19 R20 E21R13-K17 PolarHBondContact O-N 3.41Å; A14-K17 WeakPolarHBondContact O-CB 3.36Å; A14-K17 PolarHBondContact O-N 2.89Å; A14-K17 VanDerWaalsContact O-N 3.13Å; I15-K17 PolarHBondContact O-N 3.01Å; K17-I19 PolarHBondContact O-N 2.65Å; K17-R20 PolarHBondContact O-N 2.85Å; K17-E21 WeakPolarHBondContact CE-OE1 3.25Å; K17-E21 VanDerWaalsContact NZ-CD 3.25Å; K17-E21 IonicContact NZ-OE1 2.58Å; K17-E21 PolarHBondContact NZ-OE1 3.24Å; K17-E21 IonicContact NZ-OE2 3.14Å; K17-E21 PolarHBondContact NZ-OE2 2.93Å; K17-E21 VanDerWaalsContact NZ-OE2 3.14Å; K17-E21 WeakPolarHBondContact O-CB 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.29Å; K17-E21 PolarHBondContact O-N 3.48Å
18R52.2Low46.5Very low204 Ų204129.3 Ų129.377%0.7764%0.641SS**Hα-helixtrans-57.7-43.6176.2-84.6-172.3172.7177.7-1.2113.4A14 I15 E21 R22A14-R18 PolarHBondContact O-N 3.49Å; I15-R18 PolarHBondContact O-N 2.87Å; R18-E21 PolarHBondContact O-N 3.15Å; R18-R22 PolarHBondContact O-N 3.38Å
19I59.5Low46.8Very low97 Ų97131 Ų13150%0.49764%0.639SS.*Hα-helixtrans-61.6-48.1178.6-65.2168.8000110.2I15 K17 E21 R22 E23I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.32Å; I15-I19 VanDerWaalsContact O-N 3.13Å; K17-I19 PolarHBondContact O-N 2.65Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.47Å; I19-R22 PolarHBondContact O-N 2.71Å; I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.13Å
20R51.2Low47.1Very low167 Ų167134.4 Ų134.463%0.6364%0.642SS**Hα-helixtrans-72.8-19.4-177.9-160.1173.8-170177.53.9114.1A16 K17 R24A16-R20 WeakPolarHBondContact O-CB 3.17Å; K17-R20 PolarHBondContact O-N 2.85Å; R20-R24 WeakPolarHBondContact O-CD 3.14Å; R20-R24 VanDerWaalsContact O-CG 3.31Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 3.42Å
21E47.5Very low47.2Very low92 Ų92139.2 Ų139.243%0.4366%0.655SS.*Hα-helixtrans-78.4-42.9169.3-76.4172.2157.600110.5K17 R18 I19 E23 R24 E25K17-E21 WeakPolarHBondContact CE-OE1 3.25Å; K17-E21 VanDerWaalsContact NZ-CD 3.25Å; K17-E21 IonicContact NZ-OE1 2.58Å; K17-E21 PolarHBondContact NZ-OE1 3.24Å; K17-E21 IonicContact NZ-OE2 3.14Å; K17-E21 PolarHBondContact NZ-OE2 2.93Å; K17-E21 VanDerWaalsContact NZ-OE2 3.14Å; K17-E21 WeakPolarHBondContact O-CB 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.29Å; K17-E21 PolarHBondContact O-N 3.48Å; R18-E21 PolarHBondContact O-N 3.15Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.47Å; E21-E23 PolarHBondContact O-N 2.97Å; E21-R24 PolarHBondContact O-N 2.87Å; E21-R24 VanDerWaalsContact O-N 3.11Å; E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 2.95Å
22R51.3Low46.9Very low198 Ų198142.6 Ų142.675%0.74767%0.667SS**Hα-helixtrans-60.6-42.8175.2-155.6-179.7-162.2-1554.5112.7R18 I19 R24 E25 S26R18-R22 PolarHBondContact O-N 3.38Å; I19-R22 PolarHBondContact O-N 2.71Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.05Å; R22-E25 PolarHBondContact O-N 2.94Å; R22-S26 PolarHBondContact O-N 3.35Å; R22-S26 PolarHBondContact O-OG 3.3Å; R22-S26 VanDerWaalsContact O-OG 3.13Å
23E46.4Very low46.8Very low121 Ų121143.4 Ų143.457%0.56567%0.67SS**Hα-helixtrans-61.7-36.4174.3-71.4174.2149.800112.7I19 E21 S26 A27I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.13Å; E21-E23 PolarHBondContact O-N 2.97Å; E23-S26 WeakPolarHBondContact CA-OG 3.44Å; E23-S26 PolarHBondContact O-OG 3Å; E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 2.84Å; E23-A27 VanDerWaalsContact O-N 3.1Å
24R43.8Very low46.8Very low170 Ų170138.9 Ų138.964%0.64267%0.668SS**Hα-helixtrans-75.6-24.9177.4-81.5176.2158.7-167.2-8.7113.6R20 E21 R22 R28R20-R24 WeakPolarHBondContact O-CD 3.14Å; R20-R24 VanDerWaalsContact O-CG 3.31Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 3.42Å; E21-R24 PolarHBondContact O-N 2.87Å; E21-R24 VanDerWaalsContact O-N 3.11Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.05Å; R24-R28 WeakPolarHBondContact O-CG 3.19Å
25E41.7Very low46.7Very low141 Ų141141.3 Ų141.366%0.65968%0.679SS**Hα-helixtrans-80.6-37.9177.5-164.9164.4-127.800111.1E21 R22 R28E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 2.95Å; R22-E25 PolarHBondContact O-N 2.94Å; E25-R28 PolarHBondContact O-N 3.3Å
26S43.2Very low45.9Very low75 Ų75141.9 Ų141.952%0.52469%0.689SS.*Hα-helixtrans-61.4-43.8165.742.60000112R22 E23 R28 R29R22-S26 PolarHBondContact O-N 3.35Å; R22-S26 PolarHBondContact O-OG 3.3Å; R22-S26 VanDerWaalsContact O-OG 3.13Å; E23-S26 WeakPolarHBondContact CA-OG 3.44Å; E23-S26 PolarHBondContact O-OG 3Å; S26-R28 PolarHBondContact O-N 3.08Å; S26-R29 PolarHBondContact O-N 3.42Å; S26-R29 VanDerWaalsContact O-N 3.15Å
27A44.6Very low45.3Very low80 Ų80147.9 Ų147.966%0.66171%0.712SS**THydrogen-bonded Turntrans-7211.8177.600000114.7E23E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 2.84Å; E23-A27 VanDerWaalsContact O-N 3.1Å
28R39.3Very low44.4Very low223 Ų223146 Ų14684%0.84272%0.719SS**THydrogen-bonded Turntrans-12110.2172.3-81.6-177.2167.5-116.6-6.2113.4R24 E25 S26R24-R28 WeakPolarHBondContact O-CG 3.19Å; E25-R28 PolarHBondContact O-N 3.3Å; S26-R28 PolarHBondContact O-N 3.08Å
29R41.1Very low43.3Very low227 Ų227144.4 Ų144.486%0.85773%0.725SS**SBendtrans-107.5-4.5174.3-77.4-170169.1-153.6-2.6114.8S26S26-R29 PolarHBondContact O-N 3.42Å; S26-R29 VanDerWaalsContact O-N 3.15Å
30E43.9Very low42Very low184 Ų184146.9 Ų146.986%0.8674%0.738SS**SBendtrans-113.456.7177.9-67.2-169.2126.700112.2
31E43.4Very low41.1Very low186 Ų186148 Ų14887%0.86976%0.755SS**  trans-156.389.6169.4-140.2171.3-140.200111.9
32L41.2Very low40.1Very low173 Ų173147.6 Ų147.691%0.90677%0.768SS**  trans-172.6151.2159-99.5169.4000108.4
33P44.6Very low38.9Very low106 Ų106146.6 Ų146.669%0.68877%0.772SS**PPolyproline II helixtrans-89.8160.5-16535.4-36.4000115
34P47.6Very low38Very low117 Ų117146.7 Ų146.776%0.7679%0.786SS**PPolyproline II helixtrans-79.1151.9174.833.2-35.6000113.2
35P42.6Very low37.1Very low115 Ų115149.9 Ų149.975%0.74780%0.798SS**PPolyproline II helixtrans-79.3157.9173.333.6-35.4000112.7
36P36.6Very low36.3Very low123 Ų123148 Ų14880%0.79980%0.8SS**PPolyproline II helixtrans-76.5144.7-18031.4-35.3000113A38P36-A38 PolarHBondContact O-N 2.96Å; P36-A38 VanDerWaalsContact O-N 3.12Å
37L37.2Very low35.5Very low187 Ų187155 Ų15598%0.97982%0.817SS**  trans-82.584.8177.1-76.1171.6000112.3
38A32.8Very low34.7Very low81 Ų81157.3 Ų157.367%0.66981%0.814SS**  trans-144.5146.316100000110P36P36-A38 PolarHBondContact O-N 2.96Å; P36-A38 VanDerWaalsContact O-N 3.12Å
39L29Very low34.1Very low169 Ų169156.6 Ų156.689%0.88581%0.811SS**SBendtrans63.784179.6-53.5176.7000116.4
40L33Very low33.4Very low150 Ų150157.1 Ų157.179%0.78581%0.813SS**  -173.960128.1-102.1167.9000113
41L31.6Very low32.6Very low189 Ų189152.9 Ų152.999%0.9980%0.804SS**SBendtrans-112.356.1157.8-84.1175.6000109.1
42A28.3Very low31.8Very low85 Ų85155.5 Ų155.570%0.70281%0.806SS**  trans-149.821.3-16900000115.9
43E25.2Very low31.2Very low177 Ų177152 Ų15283%0.82780%0.795SS**  trans-153.594.4166.4-131.4156.7-153.100116.2
44S26.7Very low30.5Very low123 Ų123156.9 Ų156.986%0.8680%0.8SS**  trans-155.261.2154.865.30000109.9S46S44-S46 PolarHBondContact O-N 2.94Å
45R26.4Very low29.6Very low237 Ų237157.3 Ų157.389%0.89479%0.792SS**  trans-73.6109.5179-86.1-177.3168.1-176.6-1.9111.7
46S24.9Very low29.1Very low100 Ų100162.2 Ų162.270%0.69980%0.796SS**  trans55104.5132.1-54.20000120.7S44S44-S46 PolarHBondContact O-N 2.94Å
47Y26.5Very low28.5Very low223 Ų223163.6 Ų163.688%0.87579%0.791SS**  trans-166.4152.7139.8-91.9-26.6000111.2
48H27.9Very low28.1Very low129 Ų129163.2 Ų163.260%0.59778%0.782SS**  cis-144.991.6-12.4-161.7102.5000112.7
49R25.3Very low28.6Very low207 Ų207163.8 Ų163.878%0.78178%0.779SS**  trans46.2117.7131-178.8-160.6-164.7-1656.8119.8
50R26.8Very low28.5Very low238 Ų238166.4 Ų166.490%0.89878%0.777SS**  trans175.1145.1139.2-97.3162-176-153.22.6108.1
51S27.5Very low28.4Very low96 Ų96166.3 Ų166.367%0.67178%0.777SS**  cis-171.4164.5-12.7-108.60000110.3
52R27.2Very low28.3Very low240 Ų240166.9 Ų166.991%0.90677%0.766SS**  trans70.3141.2168.9-64.8169.4179.6172.3-1.4115.8
53S27.4Very low28.4Very low99 Ų99168.8 Ų168.869%0.69276%0.76SS**  cis-157.2160.5-6.2-96.30000112.7
54R29.4Very low28.5Very low210 Ų210167.2 Ų167.279%0.79275%0.753SS**  trans-3.4148.4140.8-48.9172.384.7150.27.9116.4
55E29.9Very low28.5Very low125 Ų125171.4 Ų171.458%0.58475%0.75SS**  cis-158-171.60.7-119.6171.8-110.800105.9
56R30.8Very low28.5Very low218 Ų218164.5 Ų164.582%0.82374%0.743SS**  cis-148.4-126.514.6-151.2163.3-168.1-129.9-7.2112.1
57E24.8Very low28.5Very low152 Ų152164 Ų16471%0.7175%0.745SS**  trans-145.7139.4-167.4-76.8-159.599.500113.5
58K27.6Very low28.4Very low179 Ų179158 Ų15878%0.77874%0.742SS**  40.6170.6125.1-76.3177.1-175161.10122.4
59P44.8Very low28.3Very low94 Ų94160.2 Ų160.261%0.6176%0.757SS**  cis-145.9-168.5-33.841.4-23.6000114.9
60R27Very low28.4Very low223 Ų223158.6 Ų158.684%0.84276%0.758SS**  trans70.4148.3156.4-68.1173.2177.4168.6-2.7115.8
61L29.8Very low28.4Very low148 Ų148154.3 Ų154.378%0.77575%0.752SS**  cis-151.2-160.2-7-112.2165.5000107.1
62R29.1Very low28.3Very low201 Ų201157.5 Ų157.576%0.75876%0.756SS**  cis-153-179.611.8-147.3-161.7154.4136.93.7112
63E30.8Very low28.3Very low126 Ų126153.3 Ų153.359%0.58975%0.747SS**  trans-43.8166.9158.2-72.7147.9-178.800115.5
64E27.3Very low28.2Very low144 Ų144159 Ų15967%0.67375%0.753SS**  cis-148.3169.35.3-125.3179.3120.300106.5
65R28Very low28Very low211 Ų211157.1 Ų157.180%0.79675%0.753SS**  cis-157.5140.830-148165.4-144.1-174.72.5112.7
66A25.5Very low27.7Very low92 Ų92160 Ų16076%0.7677%0.766SS**  trans-88.1175.3165.300000110
67A25.2Very low27.6Very low89 Ų89157.3 Ų157.374%0.73677%0.767SS**  cis-171.5163.7-32.700000107.1
68A24Very low27.8Very low97 Ų97155 Ų15580%0.80277%0.768SS**  trans61.4148.716700000118.8
69L27Very low27.8Very low175 Ų175153.8 Ų153.892%0.91677%0.769SS**  -168.9136.7116.8-101167000109.4
70E26.7Very low26.9Very low174 Ų174157 Ų15781%0.81378%0.781SS**  trans-92.3175.4168.7-68-171.3109.600110.8
71L25.9Very low26.9Very low147 Ų147150.2 Ų150.277%0.7778%0.78SS**  trans73.7122.4173.6-46.4171.6000113.6
72H26.7Very low26.8Very low163 Ų163154.8 Ų154.876%0.75579%0.787SS**  -157.6142.870.2-111.5-102.8000115.6
73H26.3Very low27Very low152 Ų152150.8 Ų150.870%0.70479%0.787SS**  trans29107.5142.1-77.477.6000122.4
74R25.5Very low27.4Very low218 Ų218149.9 Ų149.982%0.82379%0.792SS**  41.6120.7125.3-82.3-175.6159.7165.4-5.5121.6
75H25.6Very low27.6Very low172 Ų172151.1 Ų151.180%0.79680%0.802SS**  trans49.4123.6130.8-84.1-71.4000121.6
76E24Very low27.5Very low185 Ų185152.7 Ų152.786%0.86481%0.808SS**  trans-134-174.6134.8-85.7-123.1113.700109.7
77L28.5Very low27.7Very low161 Ų161153.8 Ų153.884%0.84381%0.81SS**  trans-106.3168.5-158.2-78.5159.7000115.7
78S27.8Very low27.8Very low104 Ų104154.5 Ų154.573%0.72782%0.816SS**  trans-54.5155.5174-47.50000114.3
79L27.5Very low27.9Very low153 Ų153158.4 Ų158.480%0.80182%0.818SS**  179.7154.7108.5-94.4167.5000114.2
80L26.6Very low28.3Very low163 Ų163155.7 Ų155.785%0.85381%0.811SS**  trans56.2119.8153.1-63.6163000120.5
81G27.4Very low28.5Very low80 Ų80153.3 Ų153.383%0.82581%0.811SS**  trans-177.151.217600000116.2
82R28.3Very low28.8Very low243 Ų243151.1 Ų151.192%0.91781%0.814SS**  trans-70.7159.6166.4-96.5-178.9173.4-173.8-1.9109.9
83P31.9Very low28.9Very low118 Ų118148.1 Ų148.177%0.76682%0.817SS**  cis-142.8-144.643.847-24.9000113.6
84P39.2Very low29.1Very low106 Ų106152.4 Ų152.469%0.68883%0.827SS**  -133.1157.9-121.134.2-10000119.6
85L31.1Very low29.6Very low171 Ų171147.7 Ų147.790%0.89583%0.825SS**  trans51.9100.9144.3-64.4171.5000120.6
86R27.4Very low30.1Very low244 Ų244142.9 Ų142.992%0.92182%0.821SS**  trans-152.1145.6131.4-127.4174.7179.9-177.9-1.3111.5
87S29.3Very low30.8Very low114 Ų114139.1 Ų139.180%0.79781%0.811SS**  trans27.8101.2166.852.90000118
88A27.6Very low32Very low105 Ų105137.2 Ų137.287%0.86880%0.801SS**PPolyproline II helixtrans-78124.8171.200000112
89E25.7Very low33.7Very low179 Ų179138.4 Ų138.484%0.83680%0.795SS**PPolyproline II helixtrans-71.6148.9161.2-64.2-178.3114.200110.7
90P34.4Very low35.9Very low117 Ų117131.9 Ų131.976%0.7676%0.76SS**PPolyproline II helixtrans-70.2131.7161.130.4-31.7000109.5
91P32Very low38.6Very low125 Ų125129 Ų12981%0.81274%0.74SS**PPolyproline II helixtrans-68.3144.2-17327.1-35000112.7A93P91-A93 PolarHBondContact O-N 2.61Å
92A32Very low41.3Very low101 Ų101125.9 Ų125.984%0.83571%0.705SS**PPolyproline II helixtrans-55.6130.6-176.300000113.3
93A29.7Very low44Very low99 Ų99114.3 Ų114.382%0.81866%0.662SS**PPolyproline II helixtrans-68.2136.2177.500000111.5P91P91-A93 PolarHBondContact O-N 2.61Å
94R30.6Very low46.5Very low242 Ų242109.3 Ų109.391%0.91363%0.629SS**PPolyproline II helixtrans-68.1144.4175.1-69.8178.6173.6176.4-3.5110.8G96R94-G96 PolarHBondContact O-N 3.06Å
95P36Very low48.7Very low120 Ų120104.3 Ų104.378%0.77960%0.596SS**  trans-75.485.8-172.330.6-36.3000112.9T97P95-T97 PolarHBondContact O-N 3.17Å
96G34.3Very low50.9Low70 Ų7096.8 Ų96.872%0.72256%0.558SS**  trans-82.685.3157.400000109.6R94 L98R94-G96 PolarHBondContact O-N 3.06Å; G96-L98 PolarHBondContact O-N 3.07Å
97T38.7Very low53.1Low106 Ų10688.8 Ų88.865%0.6553%0.533SS*.  trans-69.999.9-175.550.90000111.5P95 E99P95-T97 PolarHBondContact O-N 3.17Å; T97-E99 PolarHBondContact O-N 2.83Å
98L53.7Low55.3Low121 Ų12184 Ų8463%0.63450%0.499SS*.  trans-57.2120.3166.9-71.7160.4000109.5G96 Y179G96-L98 PolarHBondContact O-N 3.07Å; L98-Y179 HydrophobicContact CB-CD1 3.59Å; L98-Y179 HydrophobicContact CB-CE1 3.4Å; L98-Y179 HydrophobicContact CD1-CE1 4.42Å; L98-Y179 WeakPolarHBondContact O-CE1 3.41Å
99E64.5Low57Low130 Ų13079.6 Ų79.661%0.60746%0.463SS*.  trans-80.1141.3175.8-69.2175.1178.300111.3T97 P152T97-E99 PolarHBondContact O-N 2.83Å; E99-P152 HydrophobicContact CB-CB 4.5Å
100Y74.3Confident58.8Low15 Ų1574.3 Ų74.36%0.05945%0.446CS..  trans-136.8132.8175.853.9-78.8000108.4L103 A155 K156 R159 P177 Y179Y100-L103 HydrophobicContact CD2-CD2 3.75Å; Y100-L103 HydrophobicContact CE2-CD2 3.75Å; Y100-A155 HydrophobicContact CD2-CB 4.43Å; Y100-A155 WeakPolarHBondContact O-CB 3.19Å; Y100-K156 HydrophobicContact CE1-CG 3.92Å; Y100-K156 HydrophobicContact CE2-CG 4.29Å; Y100-R159 HydrophobicContact CE2-CB 4.3Å; Y100-R159 WeakPolarHBondContact OH-CD 3.09Å; Y100-R159 PolarHBondContact OH-NH1 3.24Å; Y100-P177 HydrophobicContact CD1-CB 3.96Å; Y100-P177 HydrophobicContact CD2-CB 3.55Å; Y100-P177 HydrophobicContact CE1-CB 4.19Å; Y100-P177 HydrophobicContact CE2-CB 3.79Å; Y100-P177 HydrophobicContact CG-CB 3.62Å; Y100-Y179 HydrophobicContact CD1-CD1 4.29Å; Y100-Y179 AromaticContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CE1-CE1 4.38Å; Y100-Y179 HydrophobicContact CG-CE1 4.19Å
101K81.8Confident60Low102 Ų10276.7 Ų76.744%0.44345%0.447SS..  trans-111.6-1.7175.566.4166.5-169.4169.60113N148 F149K101-N148 WeakPolarHBondContact CE-OD1 3.27Å; K101-F149 PolarHBondContact O-N 3.35Å
102T84.9Confident61.8Low15 Ų1572.9 Ų72.99%0.09242%0.421CS..EExtended strand (participates in β ladder)trans-130.1130.5-174.4-46.40000108.3V147 N148 M178T102-V147 CarbonylContact C-O 3.57Å; T102-V147 WeakPolarHBondContact CA-O 3.46Å; T102-N148 HydrophobicContact CG2-CB 4.22Å; T102-N148 PolarHBondContact OG1-OD1 2.97Å; T102-M178 HydrophobicContact CG2-CB 4.44Å; T102-M178 WeakPolarHBondContact O-CB 3.41Å; T102-M178 PolarHBondContact O-N 2.95Å
103L84.8Confident63.9Low0 Ų070.4 Ų70.40%040%0.398CS..EExtended strand (participates in β ladder)trans-104.9132.7172.7-56.1-179.5000108.7Y100 F125 Y146 V147 F149 A158 R159 I175 E176Y100-L103 HydrophobicContact CD2-CD2 3.75Å; Y100-L103 HydrophobicContact CE2-CD2 3.75Å; L103-F125 HydrophobicContact CD1-CE1 4.44Å; L103-Y146 WeakPolarHBondContact O-CA 3.44Å; L103-V147 HydrophobicContact CB-CB 4.44Å; L103-V147 PolarHBondContact N-O 2.93Å; L103-V147 PolarHBondContact O-N 3.34Å; L103-F149 HydrophobicContact CD1-CE2 3.63Å; L103-F149 HydrophobicContact CD1-CZ 4.11Å; L103-F149 HydrophobicContact CG-CD2 4.49Å; L103-F149 HydrophobicContact CG-CE2 3.86Å; L103-A158 HydrophobicContact CD1-CB 4.26Å; L103-R159 HydrophobicContact CD1-CB 4.12Å; L103-R159 HydrophobicContact CD2-CB 4.01Å; L103-R159 HydrophobicContact CD2-CG 4.4Å; L103-I175 HydrophobicContact CB-CG2 4.02Å; L103-I175 HydrophobicContact CD1-CG2 3.86Å; L103-I175 HydrophobicContact CD2-CG2 4.3Å; L103-I175 HydrophobicContact CG-CG2 4.28Å; L103-E176 WeakPolarHBondContact CA-O 3.16Å
104L84.2Confident66.2Low14 Ų1469.2 Ų69.27%0.07338%0.378CS..EExtended strand (participates in β ladder)trans-89128.1166.1166.261.1000107.8I144 Y146 I175 E176 M178L104-I144 HydrophobicContact CD1-CB 3.81Å; L104-I144 HydrophobicContact CD1-CD1 3.8Å; L104-I144 HydrophobicContact CD1-CG1 4.23Å; L104-I144 HydrophobicContact CD1-CG2 4.29Å; L104-Y146 HydrophobicContact CD1-CD1 4.2Å; L104-Y146 HydrophobicContact CD1-CE1 3.8Å; L104-I175 CarbonylContact O-C 3.56Å; L104-I175 WeakPolarHBondContact O-CA 3.21Å; L104-E176 HydrophobicContact CB-CB 4.35Å; L104-E176 PolarHBondContact N-O 3.42Å; L104-E176 PolarHBondContact O-N 2.84Å; L104-M178 HydrophobicContact CB-CE 4.49Å; L104-M178 HydrophobicContact CD2-CE 4.46Å
105I85.8Confident68.6Low0 Ų065.3 Ų65.30%037%0.37CS..EExtended strand (participates in β ladder)trans-117123175.9-55.9-174.5000108.2L108 L121 F125 I144 A145 V147 L166 L173 K174 I175I105-L108 HydrophobicContact CG2-CD2 4.3Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CG2-CD2 4.48Å; I105-F125 HydrophobicContact CD1-CD2 4.18Å; I105-F125 HydrophobicContact CD1-CE2 3.32Å; I105-F125 HydrophobicContact CD1-CZ 3.8Å; I105-I144 CarbonylContact O-C 3.55Å; I105-I144 WeakPolarHBondContact O-CA 3.48Å; I105-A145 HydrophobicContact CB-CB 4.36Å; I105-A145 PolarHBondContact N-O 3.46Å; I105-A145 PolarHBondContact O-N 2.89Å; I105-V147 HydrophobicContact CD1-CB 4.45Å; I105-V147 HydrophobicContact CD1-CG2 3.47Å; I105-V147 VanDerWaalsContact CD1-CG2 3.47Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; I105-L166 HydrophobicContact CD1-CD2 4.02Å; I105-L166 HydrophobicContact CG2-CD2 4.23Å; I105-L173 HydrophobicContact CG2-CB 3.91Å; I105-L173 HydrophobicContact CG2-CD1 3.94Å; I105-L173 HydrophobicContact CG2-CG 4.47Å; I105-K174 WeakPolarHBondContact CA-O 3.41Å; I105-I175 HydrophobicContact CG1-CG1 4.43Å
106S78.1Confident70.7Confident13 Ų1364.3 Ų64.39%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-127.9171.1-176.456.10000111.6K174S106-K174 PolarHBondContact N-O 3.48Å; S106-K174 PolarHBondContact O-N 2.84Å; S106-K174 PolarHBondContact OG-O 3.07Å
107N73Confident72.9Confident77 Ų7761 Ų6141%0.41232%0.324SS..  trans68.730.1-167-164.734.1000114.7G109 Q172 L173N107-G109 PolarHBondContact O-N 3.44Å; N107-Q172 PolarHBondContact ND2-O 2.77Å; N107-L173 VanDerWaalsContact O-CD2 3.25Å; N107-L173 WeakPolarHBondContact O-CD2 3.46Å
108L75.8Confident74.9Confident13 Ų1359.6 Ų59.67%0.06831%0.31CS..  trans-65.7127.7171.8-60.9171.4000109.9I105 V117 L121 L135 R143 A145 L168 L173I105-L108 HydrophobicContact CG2-CD2 4.3Å; L108-V117 HydrophobicContact CD1-CG1 4.01Å; L108-V117 HydrophobicContact CD2-CG1 3.86Å; L108-V117 HydrophobicContact CG-CG1 4.47Å; L108-L121 HydrophobicContact CD2-CD1 4.36Å; L108-L135 HydrophobicContact CD1-CD2 3.56Å; L108-R143 HydrophobicContact CB-CB 4.21Å; L108-A145 HydrophobicContact CD1-CB 3.9Å; L108-L168 HydrophobicContact CD2-CD2 4.38Å; L108-L173 HydrophobicContact CD2-CD1 3.75Å; L108-L173 HydrophobicContact CD2-CD2 3.88Å; L108-L173 HydrophobicContact CD2-CG 4.47Å
109G62.9Low76.2Confident12 Ų1258.4 Ų58.412%0.12430%0.304CS..  trans-72.5129.1-176.600000112.4N107 Q111 V112N107-G109 PolarHBondContact O-N 3.44Å; G109-Q111 PolarHBondContact O-N 2.92Å; G109-V112 PolarHBondContact O-N 3.36Å
110S63.6Low77Confident69 Ų6954 Ų5448%0.48329%0.29SS..THydrogen-bonded Turntrans-58.9-15.7177.547.70000115.2R143S110-R143 PolarHBondContact O-NH2 2.9Å
111Q59Low77.3Confident166 Ų16653.5 Ų53.578%0.77629%0.289SS*.THydrogen-bonded Turntrans-82.5-16.7-173.1-31.3-59.861.300112.8G109G109-Q111 PolarHBondContact O-N 2.92Å
112V70.4Confident77.4Confident45 Ų4551.8 Ų51.827%0.27328%0.281SS..SBendtrans-95.7148.2-178.2-170.20000108.7G109 D116 V117 R143G109-V112 PolarHBondContact O-N 3.36Å; V112-D116 HydrophobicContact CG1-CB 3.67Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG1-CG2 3.77Å; V112-R143 PolarHBondContact O-NH1 3.16Å
113S75.8Confident77.3Confident49 Ų4956.2 Ų56.234%0.34330%0.301SS..  trans-69.4153173.985.90000110.5E115 D116 V117S113-E115 PolarHBondContact O-N 2.8Å; S113-D116 VanDerWaalsContact CB-OD2 3.29Å; S113-D116 WeakPolarHBondContact CB-OD2 3.35Å; S113-D116 PolarHBondContact O-N 2.63Å; S113-D116 WeakPolarHBondContact OG-CB 3.17Å; S113-D116 PolarHBondContact OG-N 3.46Å; S113-D116 PolarHBondContact OG-OD2 3.35Å; S113-V117 VanDerWaalsContact O-CG2 3.25Å; S113-V117 WeakPolarHBondContact O-CG2 3.42Å; S113-V117 PolarHBondContact O-N 2.81Å; S113-V117 VanDerWaalsContact O-N 3.15Å
114D78.1Confident77Confident75 Ų7558.4 Ų58.440%0.40131%0.311SS..Hα-helixtrans-69.2-26.4179.1-74.5-21.7000111.6E118 L135 R143D114-E118 PolarHBondContact O-N 2.83Å; D114-L135 HydrophobicContact CB-CD1 3.46Å; D114-L135 VanDerWaalsContact CB-CD1 3.46Å; D114-L135 WeakPolarHBondContact O-CD1 3.16Å; D114-R143 WeakPolarHBondContact OD1-CD 3.42Å; D114-R143 IonicContact OD1-CZ 2.65Å; D114-R143 IonicContact OD1-NE 3.36Å; D114-R143 PolarHBondContact OD1-NE 3.47Å; D114-R143 IonicContact OD1-NH1 3.47Å; D114-R143 PolarHBondContact OD1-NH1 2.84Å
115E80.8Confident76.9Confident160 Ų16057.8 Ų57.875%0.74831%0.308SS*.Hα-helixtrans-68.9-50.3173.7-61.9179.8169.200111.4S113 V117 E118 D119S113-E115 PolarHBondContact O-N 2.8Å; E115-V117 PolarHBondContact O-N 2.81Å; E115-E118 PolarHBondContact O-N 3.13Å; E115-E118 VanDerWaalsContact O-N 3.17Å; E115-D119 PolarHBondContact O-N 3.35Å
116D79.9Confident76.8Confident98 Ų9863.5 Ų63.552%0.52433%0.333SS..Hα-helixtrans-57.4-36.1175.3-67.4-59.2000111.9V112 S113 A120V112-D116 HydrophobicContact CG1-CB 3.67Å; S113-D116 VanDerWaalsContact CB-OD2 3.29Å; S113-D116 WeakPolarHBondContact CB-OD2 3.35Å; S113-D116 PolarHBondContact O-N 2.63Å; S113-D116 WeakPolarHBondContact OG-CB 3.17Å; S113-D116 PolarHBondContact OG-N 3.46Å; S113-D116 PolarHBondContact OG-OD2 3.35Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 3.15Å
117V80.4Confident76.9Confident2 Ų269.6 Ų69.61%0.01236%0.358CS..Hα-helixtrans-69.4-45.4177.71720000111.3L108 V112 S113 E115 L121 L135 L168L108-V117 HydrophobicContact CD1-CG1 4.01Å; L108-V117 HydrophobicContact CD2-CG1 3.86Å; L108-V117 HydrophobicContact CG-CG1 4.47Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG1-CG2 3.77Å; S113-V117 VanDerWaalsContact O-CG2 3.25Å; S113-V117 WeakPolarHBondContact O-CG2 3.42Å; S113-V117 PolarHBondContact O-N 2.81Å; S113-V117 VanDerWaalsContact O-N 3.15Å; E115-V117 PolarHBondContact O-N 2.81Å; V117-L121 HydrophobicContact CG1-CD1 3.83Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CB 3.03Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 2.8Å; V117-L121 VanDerWaalsContact O-N 3.07Å; V117-L135 HydrophobicContact CB-CD1 4.32Å; V117-L135 HydrophobicContact CG1-CD1 4.26Å; V117-L135 HydrophobicContact CG1-CD2 3.91Å; V117-L135 HydrophobicContact CG1-CG 4.48Å; V117-L168 HydrophobicContact CG1-CD2 4.39Å; V117-L168 HydrophobicContact CG2-CD2 3.93Å
118E80.6Confident77.2Confident76 Ų7667.9 Ų67.936%0.35535%0.346SS..Hα-helixtrans-64.9-43176.9-71-160.7153.100111.6D114 E115 L121 F122 V133 K134 L135D114-E118 PolarHBondContact O-N 2.83Å; E115-E118 PolarHBondContact O-N 3.13Å; E115-E118 VanDerWaalsContact O-N 3.17Å; E118-L121 PolarHBondContact O-N 3.29Å; E118-F122 WeakPolarHBondContact O-CB 3.41Å; E118-F122 PolarHBondContact O-N 2.85Å; E118-V133 HydrophobicContact CB-CG1 4.44Å; E118-V133 HydrophobicContact CG-CG1 4.11Å; E118-K134 WeakPolarHBondContact OE1-CA 3.3Å; E118-L135 HydrophobicContact CG-CB 4.44Å; E118-L135 HydrophobicContact CG-CD1 3.66Å; E118-L135 HydrophobicContact CG-CG 3.7Å; E118-L135 PolarHBondContact OE1-N 2.88Å
119D81.6Confident77.3Confident95 Ų9568.3 Ų68.351%0.50835%0.354SS..Hα-helixtrans-66.8-43178.7-104.6-23.8000112.5E115 F122 H123E115-D119 PolarHBondContact O-N 3.35Å; D119-F122 PolarHBondContact O-N 2.85Å; D119-H123 WeakPolarHBondContact O-CB 3.07Å; D119-H123 PolarHBondContact O-N 2.73Å; D119-H123 PolarHBondContact O-ND1 3.22Å; D119-H123 IonicContact OD1-CE1 2.68Å; D119-H123 IonicContact OD1-ND1 2.91Å
120A81.3Confident78Confident38 Ų3872 Ų7231%0.31437%0.37SS..Hα-helixtrans-63.6-43177.300000112D116 E124 L168D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 3.15Å; A120-E124 VanDerWaalsContact O-CB 3.27Å; A120-E124 WeakPolarHBondContact O-CB 3.35Å; A120-E124 PolarHBondContact O-N 3.21Å; A120-E124 VanDerWaalsContact O-N 3.07Å; A120-L168 HydrophobicContact CB-CD1 3.63Å
121L81.5Confident79.1Confident4 Ų469.2 Ų69.22%0.02135%0.351CS..Hα-helixtrans-67.8-39.4176.1-67.4175.6000111.6I105 L108 V117 E118 E124 F125 V133 A145 L166 L173I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CG2-CD2 4.48Å; L108-L121 HydrophobicContact CD2-CD1 4.36Å; V117-L121 HydrophobicContact CG1-CD1 3.83Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CB 3.03Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 2.8Å; V117-L121 VanDerWaalsContact O-N 3.07Å; E118-L121 PolarHBondContact O-N 3.29Å; L121-E124 PolarHBondContact O-N 2.83Å; L121-F125 HydrophobicContact CD2-CD2 4.44Å; L121-F125 HydrophobicContact CD2-CE2 4.04Å; L121-F125 WeakPolarHBondContact O-CB 3.15Å; L121-F125 VanDerWaalsContact O-CD2 3.3Å; L121-F125 WeakPolarHBondContact O-CD2 3.19Å; L121-F125 PolarHBondContact O-N 2.89Å; L121-V133 HydrophobicContact CB-CG1 4.19Å; L121-V133 HydrophobicContact CB-CG2 4.05Å; L121-V133 HydrophobicContact CD1-CG1 4.23Å; L121-A145 HydrophobicContact CD1-CB 3.42Å; L121-A145 VanDerWaalsContact CD1-CB 3.42Å; L121-L166 HydrophobicContact CD2-CD2 4.12Å; L121-L173 HydrophobicContact CD2-CD1 4.2Å
122F83.4Confident80.3Confident66 Ų6663.9 Ų63.929%0.28933%0.332SS..Hα-helixtrans-63.6-50.3177.5179.5-109.5000111.2E118 D119 E124 F125 K126 V131 V133E118-F122 WeakPolarHBondContact O-CB 3.41Å; E118-F122 PolarHBondContact O-N 2.85Å; D119-F122 PolarHBondContact O-N 2.85Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.87Å; F122-F125 PolarHBondContact O-N 3.41Å; F122-K126 HydrophobicContact CD1-CD 4.48Å; F122-K126 HydrophobicContact CE1-CD 3.89Å; F122-K126 HydrophobicContact CZ-CD 3.9Å; F122-K126 WeakPolarHBondContact O-CB 3.43Å; F122-K126 PolarHBondContact O-N 2.81Å; F122-V131 WeakPolarHBondContact CE2-O 3.31Å; F122-V133 HydrophobicContact CB-CG2 4.03Å
123H81.4Confident81.1Confident109 Ų10962.6 Ų62.651%0.50532%0.324SS..Hα-helixtrans-64.9-31179-73.689.3000113.4D119 K127D119-H123 WeakPolarHBondContact O-CB 3.07Å; D119-H123 PolarHBondContact O-N 2.73Å; D119-H123 PolarHBondContact O-ND1 3.22Å; D119-H123 IonicContact OD1-CE1 2.68Å; D119-H123 IonicContact OD1-ND1 2.91Å; H123-K127 VanDerWaalsContact O-CE 3.31Å; H123-K127 WeakPolarHBondContact O-CE 3.47Å
124E79.7Confident81.5Confident46 Ų4666.6 Ų66.622%0.21534%0.335CS..Hα-helixtrans-80.2-36.5178.7-170.664.817700113.1A120 L121 F122 K127 K162 L166A120-E124 VanDerWaalsContact O-CB 3.27Å; A120-E124 WeakPolarHBondContact O-CB 3.35Å; A120-E124 PolarHBondContact O-N 3.21Å; A120-E124 VanDerWaalsContact O-N 3.07Å; L121-E124 PolarHBondContact O-N 2.83Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.87Å; E124-K127 IonicContact OE2-NZ 3.84Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å; E124-K162 WeakPolarHBondContact OE1-CE 3.32Å; E124-K162 IonicContact OE1-NZ 3.21Å; E124-K162 PolarHBondContact OE1-NZ 3Å; E124-L166 HydrophobicContact CG-CD1 3.82Å
125F81.1Confident81.9Confident0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-90.2-23.9-178.8-74.6-66.4000115.1L103 I105 L121 F122 K127 F128 V131 V147 F149 A158 K162 L166 I175L103-F125 HydrophobicContact CD1-CE1 4.44Å; I105-F125 HydrophobicContact CD1-CD2 4.18Å; I105-F125 HydrophobicContact CD1-CE2 3.32Å; I105-F125 HydrophobicContact CD1-CZ 3.8Å; L121-F125 HydrophobicContact CD2-CD2 4.44Å; L121-F125 HydrophobicContact CD2-CE2 4.04Å; L121-F125 WeakPolarHBondContact O-CB 3.15Å; L121-F125 VanDerWaalsContact O-CD2 3.3Å; L121-F125 WeakPolarHBondContact O-CD2 3.19Å; L121-F125 PolarHBondContact O-N 2.89Å; F122-F125 PolarHBondContact O-N 3.41Å; F125-K127 PolarHBondContact O-N 3.18Å; F125-F128 HydrophobicContact CD1-CD2 4.3Å; F125-F128 PolarHBondContact O-N 3.28Å; F125-V131 HydrophobicContact CB-CG1 4.17Å; F125-V131 HydrophobicContact CB-CG2 4.32Å; F125-V147 HydrophobicContact CB-CG1 3.92Å; F125-V147 HydrophobicContact CD2-CG1 4.06Å; F125-V147 HydrophobicContact CD2-CG2 4.15Å; F125-V147 HydrophobicContact CE2-CG2 4.46Å; F125-V147 HydrophobicContact CG-CG1 3.96Å; F125-F149 HydrophobicContact CB-CE1 4.41Å; F125-F149 HydrophobicContact CB-CZ 4.05Å; F125-F149 AromaticContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CG-CZ 4.14Å; F125-A158 HydrophobicContact CD1-CB 3.82Å; F125-A158 HydrophobicContact CE1-CB 4.01Å; F125-K162 HydrophobicContact CE1-CB 4.38Å; F125-K162 HydrophobicContact CE1-CG 4.14Å; F125-L166 HydrophobicContact CE2-CD1 4.17Å; F125-L166 HydrophobicContact CE2-CD2 3.83Å; F125-L166 HydrophobicContact CZ-CD1 4.1Å; F125-L166 HydrophobicContact CZ-CD2 3.85Å; F125-I175 HydrophobicContact CZ-CD1 4.02Å
126K84.3Confident81.8Confident121 Ų12159.1 Ų59.153%0.52630%0.303SS..THydrogen-bonded Turntrans-57.8-16.4170.8-179.7175.5178.5-1790113.7F122 F128 G129F122-K126 HydrophobicContact CD1-CD 4.48Å; F122-K126 HydrophobicContact CE1-CD 3.89Å; F122-K126 HydrophobicContact CZ-CD 3.9Å; F122-K126 WeakPolarHBondContact O-CB 3.43Å; F122-K126 PolarHBondContact O-N 2.81Å; K126-F128 PolarHBondContact O-N 3.13Å; K126-G129 WeakPolarHBondContact CA-O 3.48Å
127K80.4Confident81.6Confident141 Ų14161.2 Ų61.261%0.61331%0.309SS*.THydrogen-bonded Turntrans-67.4-21173.6-63.4171.9-175.5170.70113.4H123 E124 F125H123-K127 VanDerWaalsContact O-CE 3.31Å; H123-K127 WeakPolarHBondContact O-CE 3.47Å; E124-K127 IonicContact OE2-NZ 3.84Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å; F125-K127 PolarHBondContact O-N 3.18Å
128F78.5Confident81.1Confident41 Ų4162.9 Ų62.918%0.1832%0.32CS..THydrogen-bonded Turntrans-109.9-9.3-176.5-57.9-80.6000113.8F125 K126 F149 D154 E157 A158 A161 K162F125-F128 HydrophobicContact CD1-CD2 4.3Å; F125-F128 PolarHBondContact O-N 3.28Å; K126-F128 PolarHBondContact O-N 3.13Å; F128-F149 HydrophobicContact CB-CE1 4.31Å; F128-D154 WeakPolarHBondContact O-CB 3.37Å; F128-E157 HydrophobicContact CD1-CG 4.05Å; F128-A158 HydrophobicContact CB-CB 3.91Å; F128-A158 HydrophobicContact CD2-CB 3.89Å; F128-A158 HydrophobicContact CG-CB 3.86Å; F128-A161 HydrophobicContact CE1-CB 3.48Å; F128-A161 VanDerWaalsContact CE1-CB 3.48Å; F128-A161 HydrophobicContact CZ-CB 3.59Å; F128-K162 HydrophobicContact CE2-CG 4.17Å; F128-K162 HydrophobicContact CZ-CG 4.35Å
129G79.3Confident80Confident21 Ų2165.5 Ų65.522%0.21634%0.343CS..SBendtrans165.9-173.6-178.700000114.1K126K126-G129 WeakPolarHBondContact CA-O 3.48Å
130D78Confident79Confident89 Ų8969.7 Ų69.748%0.47636%0.359SS..SBendtrans-82.7119.2175.1-172.710.1000109.2R150D130-R150 HydrophobicContact CB-CB 3.85Å; D130-R150 HydrophobicContact CB-CG 4.5Å; D130-R150 WeakPolarHBondContact O-CB 3.49Å; D130-R150 PolarHBondContact O-N 3.39Å; D130-R150 WeakPolarHBondContact OD2-CD 3.37Å; D130-R150 IonicContact OD2-CZ 2.71Å; D130-R150 IonicContact OD2-NE 3.54Å; D130-R150 IonicContact OD2-NH1 2.61Å; D130-R150 PolarHBondContact OD2-NH1 3.01Å
131V86.5Confident78.2Confident11 Ų1172.8 Ų72.87%0.06737%0.37CS..EExtended strand (participates in β ladder)trans-134.6136.7-158.6167.20000111.9F122 F125 V133 V147 F149F122-V131 WeakPolarHBondContact CE2-O 3.31Å; F125-V131 HydrophobicContact CB-CG1 4.17Å; F125-V131 HydrophobicContact CB-CG2 4.32Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V131-V147 HydrophobicContact CG1-CG1 3.5Å; V131-V147 VanDerWaalsContact CG1-CG1 3.5Å; V131-F149 HydrophobicContact CG2-CD1 3.37Å; V131-F149 HydrophobicContact CG2-CE1 3.38Å; V131-F149 HydrophobicContact CG2-CG 4.03Å; V131-F149 HydrophobicContact CG2-CZ 4.03Å
132S83.4Confident77.7Confident55 Ų5573.9 Ų73.939%0.38538%0.383SS..EExtended strand (participates in β ladder)trans-115.2121.6164.7169.20000109.6N148S132-N148 PolarHBondContact N-O 2.77Å; S132-N148 PolarHBondContact O-N 3.25Å
133V86.9Confident77.4Confident17 Ų1774.1 Ų74.110%0.10338%0.382CS..EExtended strand (participates in β ladder)trans-86.5148.6166.1-1720000108.7E118 L121 F122 V131 A145 Y146 V147E118-V133 HydrophobicContact CB-CG1 4.44Å; E118-V133 HydrophobicContact CG-CG1 4.11Å; L121-V133 HydrophobicContact CB-CG1 4.19Å; L121-V133 HydrophobicContact CB-CG2 4.05Å; L121-V133 HydrophobicContact CD1-CG1 4.23Å; F122-V133 HydrophobicContact CB-CG2 4.03Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V133-A145 HydrophobicContact CG1-CB 4.3Å; V133-Y146 CarbonylContact C-O 3.58Å; V133-Y146 WeakPolarHBondContact CA-O 3.33Å; V133-V147 HydrophobicContact CG2-CG2 4.35Å
134K83.4Confident77.6Confident134 Ų13469 Ų6958%0.58336%0.358SS*.EExtended strand (participates in β ladder)trans-145.9119.8165.7-63.6-171.8177.7-170.60110.2E118 A145 Y146E118-K134 WeakPolarHBondContact OE1-CA 3.3Å; K134-A145 WeakPolarHBondContact O-CA 3.49Å; K134-Y146 PolarHBondContact N-O 3.24Å; K134-Y146 PolarHBondContact O-N 2.95Å
135L86.6Confident77.8Confident40 Ų4066.9 Ų66.921%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-71.5151.1166.9-78.7173000111.9L108 D114 V117 E118 A145L108-L135 HydrophobicContact CD1-CD2 3.56Å; D114-L135 HydrophobicContact CB-CD1 3.46Å; D114-L135 VanDerWaalsContact CB-CD1 3.46Å; D114-L135 WeakPolarHBondContact O-CD1 3.16Å; V117-L135 HydrophobicContact CB-CD1 4.32Å; V117-L135 HydrophobicContact CG1-CD1 4.26Å; V117-L135 HydrophobicContact CG1-CD2 3.91Å; V117-L135 HydrophobicContact CG1-CG 4.48Å; E118-L135 HydrophobicContact CG-CB 4.44Å; E118-L135 HydrophobicContact CG-CD1 3.66Å; E118-L135 HydrophobicContact CG-CG 3.7Å; E118-L135 PolarHBondContact OE1-N 2.88Å; L135-A145 HydrophobicContact CD2-CB 3.89Å
136S78.6Confident78Confident37 Ų3770.2 Ų70.226%0.25936%0.361SS..EExtended strand (participates in β ladder)trans-150.5153165.365.20000109.9I144 Y146S136-I144 PolarHBondContact N-O 2.82Å; S136-I144 WeakPolarHBondContact O-CG1 3.4Å; S136-I144 PolarHBondContact O-N 2.92Å; S136-I144 WeakPolarHBondContact OG-CG1 3.46Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.47Å
137H76.9Confident78.2Confident143 Ų14364.4 Ų64.466%0.66234%0.336SS*.EExtended strand (participates in β ladder)trans-108.6124.7173.6-17064000109G142H137-G142 PolarHBondContact ND1-O 2.89Å
138T69.7Low78.5Confident37 Ų3760.2 Ų60.223%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-123.4136.2176.9560000109.7E140 L141 G142 I144T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.15Å; T138-L141 PolarHBondContact O-N 3.2Å; T138-G142 PolarHBondContact N-O 2.85Å; T138-G142 WeakPolarHBondContact O-CA 3.47Å; T138-G142 PolarHBondContact O-N 2.94Å; T138-I144 HydrophobicContact CG2-CD1 3.79Å; T138-I144 HydrophobicContact CG2-CG1 4.48Å
139P56.8Low78.9Confident130 Ų13058.3 Ų58.384%0.84431%0.312SS*.THydrogen-bonded Turntrans-68-16.5-173.127.4-35.3000113.6
140E61.9Low79Confident183 Ų18365.3 Ų65.386%0.85533%0.332SS*.THydrogen-bonded Turntrans-94.1-24.3-178.8-62.4177.717500113.6T138T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.15Å
141L63.1Low79Confident103 Ų10365.3 Ų65.354%0.53933%0.329SS..THydrogen-bonded Turntrans-128.2-2-174-62.5172.8000114.3T138 I144T138-L141 PolarHBondContact O-N 3.2Å; L141-I144 HydrophobicContact CB-CG2 3.92Å
142G72.1Confident78.6Confident28 Ų2866.6 Ų66.629%0.28934%0.338SS..EExtended strand (participates in β ladder)trans80.2-147.4179.500000113.6H137 T138H137-G142 PolarHBondContact ND1-O 2.89Å; T138-G142 PolarHBondContact N-O 2.85Å; T138-G142 WeakPolarHBondContact O-CA 3.47Å; T138-G142 PolarHBondContact O-N 2.94Å
143R77.3Confident78.4Confident71 Ų7168.7 Ų68.727%0.26834%0.341SS..EExtended strand (participates in β ladder)trans-72.9125.9169.3-61.8-160.6-159.1154.811.8108.9L108 S110 V112 D114L108-R143 HydrophobicContact CB-CB 4.21Å; S110-R143 PolarHBondContact O-NH2 2.9Å; V112-R143 PolarHBondContact O-NH1 3.16Å; D114-R143 WeakPolarHBondContact OD1-CD 3.42Å; D114-R143 IonicContact OD1-CZ 2.65Å; D114-R143 IonicContact OD1-NE 3.36Å; D114-R143 PolarHBondContact OD1-NE 3.47Å; D114-R143 IonicContact OD1-NH1 3.47Å; D114-R143 PolarHBondContact OD1-NH1 2.84Å
144I84.6Confident78.3Confident2 Ų269.1 Ų69.11%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-135.7146.2179.160.1174.1000110.2L104 I105 S136 T138 L141L104-I144 HydrophobicContact CD1-CB 3.81Å; L104-I144 HydrophobicContact CD1-CD1 3.8Å; L104-I144 HydrophobicContact CD1-CG1 4.23Å; L104-I144 HydrophobicContact CD1-CG2 4.29Å; I105-I144 CarbonylContact O-C 3.55Å; I105-I144 WeakPolarHBondContact O-CA 3.48Å; S136-I144 PolarHBondContact N-O 2.82Å; S136-I144 WeakPolarHBondContact O-CG1 3.4Å; S136-I144 PolarHBondContact O-N 2.92Å; S136-I144 WeakPolarHBondContact OG-CG1 3.46Å; T138-I144 HydrophobicContact CG2-CD1 3.79Å; T138-I144 HydrophobicContact CG2-CG1 4.48Å; L141-I144 HydrophobicContact CB-CG2 3.92Å
145A83.9Confident78.2Confident0 Ų062.8 Ų62.80%032%0.315CS..EExtended strand (participates in β ladder)trans-111.8138.617600000110.9I105 L108 L121 V133 K134 L135I105-A145 HydrophobicContact CB-CB 4.36Å; I105-A145 PolarHBondContact N-O 3.46Å; I105-A145 PolarHBondContact O-N 2.89Å; L108-A145 HydrophobicContact CD1-CB 3.9Å; L121-A145 HydrophobicContact CD1-CB 3.42Å; L121-A145 VanDerWaalsContact CD1-CB 3.42Å; V133-A145 HydrophobicContact CG1-CB 4.3Å; K134-A145 WeakPolarHBondContact O-CA 3.49Å; L135-A145 HydrophobicContact CD2-CB 3.89Å
146Y86.6Confident77.8Confident70 Ų7062.8 Ų62.828%0.27531%0.314SS..EExtended strand (participates in β ladder)trans-100.6117.2167.6-61.2-64.1000109.2L103 L104 V133 K134 S136 M178L103-Y146 WeakPolarHBondContact O-CA 3.44Å; L104-Y146 HydrophobicContact CD1-CD1 4.2Å; L104-Y146 HydrophobicContact CD1-CE1 3.8Å; V133-Y146 CarbonylContact C-O 3.58Å; V133-Y146 WeakPolarHBondContact CA-O 3.33Å; K134-Y146 PolarHBondContact N-O 3.24Å; K134-Y146 PolarHBondContact O-N 2.95Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.47Å; Y146-M178 HydrophobicContact CD1-CE 4.4Å; Y146-M178 HydrophobicContact CD1-SD 4.24Å; Y146-M178 HydrophobicContact CE1-CE 3.66Å; Y146-M178 HydrophobicContact CE1-SD 3.93Å
147V88.1Confident77.9Confident0 Ų066.8 Ų66.80%033%0.328CS..EExtended strand (participates in β ladder)trans-104102.6175.4-174.80000107.8T102 L103 I105 F125 V131 V133 F149T102-V147 CarbonylContact C-O 3.57Å; T102-V147 WeakPolarHBondContact CA-O 3.46Å; L103-V147 HydrophobicContact CB-CB 4.44Å; L103-V147 PolarHBondContact N-O 2.93Å; L103-V147 PolarHBondContact O-N 3.34Å; I105-V147 HydrophobicContact CD1-CB 4.45Å; I105-V147 HydrophobicContact CD1-CG2 3.47Å; I105-V147 VanDerWaalsContact CD1-CG2 3.47Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; F125-V147 HydrophobicContact CB-CG1 3.92Å; F125-V147 HydrophobicContact CD2-CG1 4.06Å; F125-V147 HydrophobicContact CD2-CG2 4.15Å; F125-V147 HydrophobicContact CE2-CG2 4.46Å; F125-V147 HydrophobicContact CG-CG1 3.96Å; V131-V147 HydrophobicContact CG1-CG1 3.5Å; V131-V147 VanDerWaalsContact CG1-CG1 3.5Å; V133-V147 HydrophobicContact CG2-CG2 4.35Å; V147-F149 HydrophobicContact CB-CE2 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å
148N86.4Confident78.2Confident52 Ų5260 Ų6028%0.27830%0.297SS..EExtended strand (participates in β ladder)trans-99.1118.5179.8178.593.3000110.8K101 T102 S132K101-N148 WeakPolarHBondContact CE-OD1 3.27Å; T102-N148 HydrophobicContact CG2-CB 4.22Å; T102-N148 PolarHBondContact OG1-OD1 2.97Å; S132-N148 PolarHBondContact N-O 2.77Å; S132-N148 PolarHBondContact O-N 3.25Å
149F85.9Confident78.5Confident1 Ų161.9 Ų61.90%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-86.9156.9175.5-63.9-101.3000111.3K101 L103 F125 F128 V131 V147 H151 D154 A155 A158K101-F149 PolarHBondContact O-N 3.35Å; L103-F149 HydrophobicContact CD1-CE2 3.63Å; L103-F149 HydrophobicContact CD1-CZ 4.11Å; L103-F149 HydrophobicContact CG-CD2 4.49Å; L103-F149 HydrophobicContact CG-CE2 3.86Å; F125-F149 HydrophobicContact CB-CE1 4.41Å; F125-F149 HydrophobicContact CB-CZ 4.05Å; F125-F149 AromaticContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CG-CZ 4.14Å; F128-F149 HydrophobicContact CB-CE1 4.31Å; V131-F149 HydrophobicContact CG2-CD1 3.37Å; V131-F149 HydrophobicContact CG2-CE1 3.38Å; V131-F149 HydrophobicContact CG2-CG 4.03Å; V131-F149 HydrophobicContact CG2-CZ 4.03Å; V147-F149 HydrophobicContact CB-CE2 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å; F149-H151 WeakPolarHBondContact CB-O 3.41Å; F149-D154 HydrophobicContact CB-CB 4.16Å; F149-D154 HydrophobicContact CD1-CB 3.61Å; F149-D154 HydrophobicContact CE1-CB 4.46Å; F149-D154 HydrophobicContact CG-CB 4.2Å; F149-A155 HydrophobicContact CB-CB 4.02Å; F149-A155 HydrophobicContact CD2-CB 3.54Å; F149-A155 HydrophobicContact CE2-CB 4.22Å; F149-A155 HydrophobicContact CG-CB 3.79Å; F149-A158 HydrophobicContact CE1-CB 3.62Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 3.36Å
150R81.8Confident79.3Confident168 Ų16862 Ų6263%0.63429%0.289SS*.SBendtrans-72.6-35.7174-176167.4171.8165.2-3.9112.9D130D130-R150 HydrophobicContact CB-CB 3.85Å; D130-R150 HydrophobicContact CB-CG 4.5Å; D130-R150 WeakPolarHBondContact O-CB 3.49Å; D130-R150 PolarHBondContact O-N 3.39Å; D130-R150 WeakPolarHBondContact OD2-CD 3.37Å; D130-R150 IonicContact OD2-CZ 2.71Å; D130-R150 IonicContact OD2-NE 3.54Å; D130-R150 IonicContact OD2-NH1 2.61Å; D130-R150 PolarHBondContact OD2-NH1 3.01Å
151H78.4Confident79.9Confident89 Ų8955.8 Ų55.841%0.41227%0.269SS..SBendtrans-120.1152.1175.3-36.299.3000111.3F149 E153 D154F149-H151 WeakPolarHBondContact CB-O 3.41Å; H151-E153 VanDerWaalsContact C-N 3.32Å; H151-D154 WeakPolarHBondContact CB-OD1 3.45Å; H151-D154 IonicContact CE1-OD2 2.74Å; H151-D154 IonicContact CG-OD1 3.46Å; H151-D154 IonicContact CG-OD2 2.72Å; H151-D154 IonicContact ND1-OD1 3.57Å; H151-D154 PolarHBondContact ND1-OD1 2.79Å; H151-D154 IonicContact ND1-OD2 3.43Å; H151-D154 PolarHBondContact ND1-OD2 2.74Å
152P78.5Confident80.1Confident39 Ų3953 Ų5325%0.25325%0.252SS..Hα-helixtrans-74.2-20.6178.630.2-34.6000113.2E99 K156E99-P152 HydrophobicContact CB-CB 4.5Å; P152-K156 WeakPolarHBondContact O-CG 3.46Å; P152-K156 PolarHBondContact O-N 3.35Å
153E78.8Confident79.6Confident99 Ų9955.6 Ų55.646%0.46327%0.266SS..Hα-helixtrans-73.5-46.3176-53.2-41.4112.800111.1H151 A155 K156 E157H151-E153 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact O-N 3.16Å; E153-K156 WeakPolarHBondContact O-CA 3.41Å; E153-K156 WeakPolarHBondContact O-CB 3.42Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact OE1-CE 3.32Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.3Å; E153-K156 VanDerWaalsContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 IonicContact OE2-NZ 3.73Å; E153-K156 PolarHBondContact OE2-NZ 3.31Å; E153-E157 PolarHBondContact O-N 2.65Å
154D84.4Confident78.5Confident26 Ų2656.8 Ų56.814%0.13929%0.285CS..Hα-helixtrans-48.1-43.4171.3-48.38.6000111.4F128 F149 H151 E157 A158F128-D154 WeakPolarHBondContact O-CB 3.37Å; F149-D154 HydrophobicContact CB-CB 4.16Å; F149-D154 HydrophobicContact CD1-CB 3.61Å; F149-D154 HydrophobicContact CE1-CB 4.46Å; F149-D154 HydrophobicContact CG-CB 4.2Å; H151-D154 WeakPolarHBondContact CB-OD1 3.45Å; H151-D154 IonicContact CE1-OD2 2.74Å; H151-D154 IonicContact CG-OD1 3.46Å; H151-D154 IonicContact CG-OD2 2.72Å; H151-D154 IonicContact ND1-OD1 3.57Å; H151-D154 PolarHBondContact ND1-OD1 2.79Å; H151-D154 IonicContact ND1-OD2 3.43Å; H151-D154 PolarHBondContact ND1-OD2 2.74Å; D154-E157 PolarHBondContact O-N 3.16Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.46Å
155A81.8Confident77.1Confident0 Ų066.6 Ų66.60%032%0.322CS..Hα-helixtrans-69.9-34.2178.800000113.5Y100 F149 E153 R159Y100-A155 HydrophobicContact CD2-CB 4.43Å; Y100-A155 WeakPolarHBondContact O-CB 3.19Å; F149-A155 HydrophobicContact CB-CB 4.02Å; F149-A155 HydrophobicContact CD2-CB 3.54Å; F149-A155 HydrophobicContact CE2-CB 4.22Å; F149-A155 HydrophobicContact CG-CB 3.79Å; E153-A155 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact O-N 3.16Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.42Å
156K79Confident76.1Confident41 Ų4167.3 Ų67.318%0.17833%0.326CS..Hα-helixtrans-68.6-49.1172.2-66.9164.5-164.7171.10109.9Y100 P152 E153 R159 H160Y100-K156 HydrophobicContact CE1-CG 3.92Å; Y100-K156 HydrophobicContact CE2-CG 4.29Å; P152-K156 WeakPolarHBondContact O-CG 3.46Å; P152-K156 PolarHBondContact O-N 3.35Å; E153-K156 WeakPolarHBondContact O-CA 3.41Å; E153-K156 WeakPolarHBondContact O-CB 3.42Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact OE1-CE 3.32Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.3Å; E153-K156 VanDerWaalsContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 IonicContact OE2-NZ 3.73Å; E153-K156 PolarHBondContact OE2-NZ 3.31Å; K156-R159 PolarHBondContact O-N 2.9Å; K156-H160 PolarHBondContact O-CD2 2.89Å; K156-H160 PolarHBondContact O-N 2.92Å
157E80.3Confident75Confident121 Ų12167.8 Ų67.857%0.56534%0.336SS*.Hα-helixtrans-61.3-50.1-178.4-171176.6171.300111.3F128 E153 D154 R159 H160 A161F128-E157 HydrophobicContact CD1-CG 4.05Å; E153-E157 PolarHBondContact O-N 2.65Å; D154-E157 PolarHBondContact O-N 3.16Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 3Å; E157-H160 PolarHBondContact O-N 3.03Å; E157-H160 VanDerWaalsContact O-N 3.13Å; E157-A161 VanDerWaalsContact O-CB 3.31Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.39Å
158A81.8Confident73.5Confident0 Ų069.7 Ų69.70%035%0.346CS..Hα-helixtrans-53-44.6173.700000112.6L103 F125 F128 F149 D154 K162L103-A158 HydrophobicContact CD1-CB 4.26Å; F125-A158 HydrophobicContact CD1-CB 3.82Å; F125-A158 HydrophobicContact CE1-CB 4.01Å; F128-A158 HydrophobicContact CB-CB 3.91Å; F128-A158 HydrophobicContact CD2-CB 3.89Å; F128-A158 HydrophobicContact CG-CB 3.86Å; F149-A158 HydrophobicContact CE1-CB 3.62Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 3.36Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.46Å; A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 3.05Å; A158-K162 VanDerWaalsContact O-N 3.08Å
159R76.8Confident72.3Confident76 Ų7670.4 Ų70.429%0.28737%0.366SS..Hα-helixtrans-66.9-45.8176.8-174.6-176.2171.5-138.1-0.5111.6Y100 L103 A155 K156 E157 K162 S163 I175Y100-R159 HydrophobicContact CE2-CB 4.3Å; Y100-R159 WeakPolarHBondContact OH-CD 3.09Å; Y100-R159 PolarHBondContact OH-NH1 3.24Å; L103-R159 HydrophobicContact CD1-CB 4.12Å; L103-R159 HydrophobicContact CD2-CB 4.01Å; L103-R159 HydrophobicContact CD2-CG 4.4Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.42Å; K156-R159 PolarHBondContact O-N 2.9Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 3Å; R159-K162 PolarHBondContact O-N 3.34Å; R159-S163 VanDerWaalsContact O-CA 3.32Å; R159-S163 WeakPolarHBondContact O-CA 3.4Å; R159-S163 WeakPolarHBondContact O-CB 3.34Å; R159-S163 PolarHBondContact O-N 2.98Å; R159-I175 HydrophobicContact CG-CG2 4.21Å
160H73.4Confident70.6Confident133 Ų13379.9 Ų79.962%0.61641%0.41SS*.Hα-helixtrans-62.1-48.2179.1-80.7-71.5000111.1K156 E157 K162 S163K156-H160 PolarHBondContact O-CD2 2.89Å; K156-H160 PolarHBondContact O-N 2.92Å; E157-H160 PolarHBondContact O-N 3.03Å; E157-H160 VanDerWaalsContact O-N 3.13Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 2.66Å; H160-S163 PolarHBondContact O-OG 2.96Å
161A75.3Confident69.5Low52 Ų5277.9 Ų77.943%0.4340%0.402SS..Hα-helixtrans-67.3-24.5-179.300000114.7F128 E157F128-A161 HydrophobicContact CE1-CB 3.48Å; F128-A161 VanDerWaalsContact CE1-CB 3.48Å; F128-A161 HydrophobicContact CZ-CB 3.59Å; E157-A161 VanDerWaalsContact O-CB 3.31Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.39Å
162K67.9Low69Low44 Ų4480.7 Ų80.719%0.19142%0.416CS..Hα-helixtrans-112.8-2.5-179-60.4-68.9160.5179.70115E124 F125 F128 A158 R159 H160 S164 R165 L166 I175E124-K162 WeakPolarHBondContact OE1-CE 3.32Å; E124-K162 IonicContact OE1-NZ 3.21Å; E124-K162 PolarHBondContact OE1-NZ 3Å; F125-K162 HydrophobicContact CE1-CB 4.38Å; F125-K162 HydrophobicContact CE1-CG 4.14Å; F128-K162 HydrophobicContact CE2-CG 4.17Å; F128-K162 HydrophobicContact CZ-CG 4.35Å; A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 3.05Å; A158-K162 VanDerWaalsContact O-N 3.08Å; R159-K162 PolarHBondContact O-N 3.34Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 2.66Å; K162-S164 PolarHBondContact O-N 3.45Å; K162-R165 PolarHBondContact O-N 3.11Å; K162-R165 VanDerWaalsContact O-N 3.13Å; K162-L166 HydrophobicContact CB-CB 4.39Å; K162-L166 HydrophobicContact CD-CD1 4.3Å; K162-L166 PolarHBondContact O-N 3.04Å; K162-I175 HydrophobicContact CB-CD1 3.69Å
163S60.4Low68.7Low84 Ų8479.6 Ų79.659%0.58741%0.407SS*.THydrogen-bonded Turntrans-49.7-27-177.554.50000116.2R159 H160R159-S163 VanDerWaalsContact O-CA 3.32Å; R159-S163 WeakPolarHBondContact O-CA 3.4Å; R159-S163 WeakPolarHBondContact O-CB 3.34Å; R159-S163 PolarHBondContact O-N 2.98Å; H160-S163 PolarHBondContact O-OG 2.96Å
164S54.7Low68.5Low96 Ų9680.7 Ų80.767%0.67141%0.411SS*.THydrogen-bonded Turntrans-119-3.2-177.460.30000115K162K162-S164 PolarHBondContact O-N 3.45Å
165R56Low68.4Low208 Ų20880.6 Ų80.679%0.78541%0.41SS*.THydrogen-bonded Turntrans-147.518.6-164.9-78.7-167.5171.7177.3-2.9116.6K162 V167K162-R165 PolarHBondContact O-N 3.11Å; K162-R165 VanDerWaalsContact O-N 3.13Å; R165-V167 PolarHBondContact O-N 3.03Å
166L62.7Low68.3Low15 Ų1583.9 Ų83.98%0.07943%0.425CS..  trans-79.5111.9166.2-161.275.7000110I105 L121 E124 F125 K162 L173 I175I105-L166 HydrophobicContact CD1-CD2 4.02Å; I105-L166 HydrophobicContact CG2-CD2 4.23Å; L121-L166 HydrophobicContact CD2-CD2 4.12Å; E124-L166 HydrophobicContact CG-CD1 3.82Å; F125-L166 HydrophobicContact CE2-CD1 4.17Å; F125-L166 HydrophobicContact CE2-CD2 3.83Å; F125-L166 HydrophobicContact CZ-CD1 4.1Å; F125-L166 HydrophobicContact CZ-CD2 3.85Å; K162-L166 HydrophobicContact CB-CB 4.39Å; K162-L166 HydrophobicContact CD-CD1 4.3Å; K162-L166 PolarHBondContact O-N 3.04Å; L166-L173 HydrophobicContact CB-CB 4.37Å; L166-L173 HydrophobicContact CD2-CB 3.86Å; L166-L173 HydrophobicContact CD2-CD1 3.83Å; L166-L173 HydrophobicContact CD2-CG 4.42Å; L166-L173 HydrophobicContact CG-CB 4.22Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact O-N 2.92Å; L166-I175 HydrophobicContact CB-CD1 3.96Å; L166-I175 HydrophobicContact CD2-CD1 3.94Å; L166-I175 HydrophobicContact CD2-CG1 4.09Å
167V62.9Low68.3Low80 Ų8083.1 Ų83.149%0.48542%0.424SS..EExtended strand (participates in β ladder)trans-126.7135.2178.4-171.80000108.1R165 G169 R171 Q172R165-V167 PolarHBondContact O-N 3.03Å; V167-G169 WeakPolarHBondContact CG1-O 3.22Å; V167-R171 WeakPolarHBondContact CA-O 3.45Å; V167-R171 WeakPolarHBondContact CG1-O 3.17Å; V167-Q172 HydrophobicContact CG2-CG 4.29Å
168L56.2Low68.1Low40 Ų4080.7 Ų80.721%0.20941%0.414CS..EExtended strand (participates in β ladder)trans-129.7117.5174.9-16873000108.6L108 V117 A120 E170 R171 L173L108-L168 HydrophobicContact CD2-CD2 4.38Å; V117-L168 HydrophobicContact CG1-CD2 4.39Å; V117-L168 HydrophobicContact CG2-CD2 3.93Å; A120-L168 HydrophobicContact CB-CD1 3.63Å; L168-E170 PolarHBondContact O-N 3.19Å; L168-R171 PolarHBondContact N-O 3.16Å; L168-R171 PolarHBondContact O-N 2.66Å; L168-L173 HydrophobicContact CB-CD1 3.68Å; L168-L173 HydrophobicContact CB-CD2 4.36Å; L168-L173 HydrophobicContact CB-CG 4.06Å; L168-L173 HydrophobicContact CD2-CD1 4.27Å
169G61Low67.6Low67 Ų6785.5 Ų85.569%0.69143%0.433SS*.THydrogen-bonded Turntrans60.2-130.3-161.900000110.6V167V167-G169 WeakPolarHBondContact CG1-O 3.22Å
170E49.7Very low66.4Low200 Ų20086.6 Ų86.694%0.93545%0.448SS*.THydrogen-bonded Turntrans-93.36.8177.9-59.3-171.9145.100114L168L168-E170 PolarHBondContact O-N 3.19Å
171R59.5Low64.6Low126 Ų12690.6 Ų90.648%0.47546%0.458SS..EExtended strand (participates in β ladder)trans-112.2130.8-173.8-70.3-171.3176.5-168.11.5113.3V167 L168V167-R171 WeakPolarHBondContact CA-O 3.45Å; V167-R171 WeakPolarHBondContact CG1-O 3.17Å; L168-R171 PolarHBondContact N-O 3.16Å; L168-R171 PolarHBondContact O-N 2.66Å
172Q68.5Low62.7Low148 Ų14898.9 Ų98.969%0.69248%0.478SS*.EExtended strand (participates in β ladder)trans-69.8128.1168.5-64.2-179.64.800109.9N107 V167N107-Q172 PolarHBondContact ND2-O 2.77Å; V167-Q172 HydrophobicContact CG2-CG 4.29Å
173L72.4Confident60.9Low15 Ų15108.1 Ų108.18%0.07951%0.512CS..  trans-95.1133.8-179.7-62.7-170.5000110.8I105 N107 L108 L121 L166 L168I105-L173 HydrophobicContact CG2-CB 3.91Å; I105-L173 HydrophobicContact CG2-CD1 3.94Å; I105-L173 HydrophobicContact CG2-CG 4.47Å; N107-L173 VanDerWaalsContact O-CD2 3.25Å; N107-L173 WeakPolarHBondContact O-CD2 3.46Å; L108-L173 HydrophobicContact CD2-CD1 3.75Å; L108-L173 HydrophobicContact CD2-CD2 3.88Å; L108-L173 HydrophobicContact CD2-CG 4.47Å; L121-L173 HydrophobicContact CD2-CD1 4.2Å; L166-L173 HydrophobicContact CB-CB 4.37Å; L166-L173 HydrophobicContact CD2-CB 3.86Å; L166-L173 HydrophobicContact CD2-CD1 3.83Å; L166-L173 HydrophobicContact CD2-CG 4.42Å; L166-L173 HydrophobicContact CG-CB 4.22Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact O-N 2.92Å; L168-L173 HydrophobicContact CB-CD1 3.68Å; L168-L173 HydrophobicContact CB-CD2 4.36Å; L168-L173 HydrophobicContact CB-CG 4.06Å; L168-L173 HydrophobicContact CD2-CD1 4.27Å
174K73.3Confident59.4Low123 Ų123108.9 Ų108.954%0.53552%0.517SS..EExtended strand (participates in β ladder)trans-93.6112.1-175.3-171-163.5-167.1-159.90110.3I105 S106 E176I105-K174 WeakPolarHBondContact CA-O 3.41Å; S106-K174 PolarHBondContact N-O 3.48Å; S106-K174 PolarHBondContact O-N 2.84Å; S106-K174 PolarHBondContact OG-O 3.07Å; K174-E176 HydrophobicContact CD-CG 4.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.48Å; K174-E176 HydrophobicContact CG-CG 4.45Å; K174-E176 IonicContact NZ-OE1 3.75Å; K174-E176 PolarHBondContact NZ-OE1 3.09Å
175I82.9Confident58.4Low23 Ų23110.4 Ų110.412%0.11852%0.522CS..EExtended strand (participates in β ladder)trans-96.2115.4-178.6-50.6174.8000110.7L103 L104 I105 F125 R159 K162 L166L103-I175 HydrophobicContact CB-CG2 4.02Å; L103-I175 HydrophobicContact CD1-CG2 3.86Å; L103-I175 HydrophobicContact CD2-CG2 4.3Å; L103-I175 HydrophobicContact CG-CG2 4.28Å; L104-I175 CarbonylContact O-C 3.56Å; L104-I175 WeakPolarHBondContact O-CA 3.21Å; I105-I175 HydrophobicContact CG1-CG1 4.43Å; F125-I175 HydrophobicContact CZ-CD1 4.02Å; R159-I175 HydrophobicContact CG-CG2 4.21Å; K162-I175 HydrophobicContact CB-CD1 3.69Å; L166-I175 HydrophobicContact CB-CD1 3.96Å; L166-I175 HydrophobicContact CD2-CD1 3.94Å; L166-I175 HydrophobicContact CD2-CG1 4.09Å
176E79.8Confident57.3Low69 Ų69106.1 Ų106.132%0.32252%0.519SS..EExtended strand (participates in β ladder)trans-116140.4178.1-63.3-169.7163.200112.1L103 L104 K174 M178L103-E176 WeakPolarHBondContact CA-O 3.16Å; L104-E176 HydrophobicContact CB-CB 4.35Å; L104-E176 PolarHBondContact N-O 3.42Å; L104-E176 PolarHBondContact O-N 2.84Å; K174-E176 HydrophobicContact CD-CG 4.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.48Å; K174-E176 HydrophobicContact CG-CG 4.45Å; K174-E176 IonicContact NZ-OE1 3.75Å; K174-E176 PolarHBondContact NZ-OE1 3.09Å; E176-M178 PolarHBondContact O-N 3.43Å
177P79.4Confident55.9Low25 Ų25111 Ų11116%0.16255%0.551CS.*EExtended strand (participates in β ladder)trans-77.1115.8177.732.2-33.6000110.6Y100 Y179Y100-P177 HydrophobicContact CD1-CB 3.96Å; Y100-P177 HydrophobicContact CD2-CB 3.55Å; Y100-P177 HydrophobicContact CE1-CB 4.19Å; Y100-P177 HydrophobicContact CE2-CB 3.79Å; Y100-P177 HydrophobicContact CG-CB 3.62Å; P177-Y179 HydrophobicContact CB-CE1 4.42Å; P177-Y179 HydrophobicContact CB-CE2 4.06Å; P177-Y179 HydrophobicContact CG-CE2 3.64Å; P177-Y179 WeakPolarHBondContact O-CD2 3.42Å; P177-Y179 PolarHBondContact O-N 3.28Å
178M76.1Confident54.5Low71 Ų71112.5 Ų112.535%0.3556%0.563SS.*  trans-85.194.5175.5-178.4158.3-75.600110.7T102 L104 Y146 E176 V180T102-M178 HydrophobicContact CG2-CB 4.44Å; T102-M178 WeakPolarHBondContact O-CB 3.41Å; T102-M178 PolarHBondContact O-N 2.95Å; L104-M178 HydrophobicContact CB-CE 4.49Å; L104-M178 HydrophobicContact CD2-CE 4.46Å; Y146-M178 HydrophobicContact CD1-CE 4.4Å; Y146-M178 HydrophobicContact CD1-SD 4.24Å; Y146-M178 HydrophobicContact CE1-CE 3.66Å; Y146-M178 HydrophobicContact CE1-SD 3.93Å; E176-M178 PolarHBondContact O-N 3.43Å; M178-V180 PolarHBondContact O-N 3.42Å
179Y70Confident53.3Low100 Ų100118.6 Ų118.639%0.39260%0.595SS.*  trans-68.7111.1172.6-58.5-71.3000111.1L98 Y100 P177 R181L98-Y179 HydrophobicContact CB-CD1 3.59Å; L98-Y179 HydrophobicContact CB-CE1 3.4Å; L98-Y179 HydrophobicContact CD1-CE1 4.42Å; L98-Y179 WeakPolarHBondContact O-CE1 3.41Å; Y100-Y179 HydrophobicContact CD1-CD1 4.29Å; Y100-Y179 AromaticContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CE1-CE1 4.38Å; Y100-Y179 HydrophobicContact CG-CE1 4.19Å; P177-Y179 HydrophobicContact CB-CE1 4.42Å; P177-Y179 HydrophobicContact CB-CE2 4.06Å; P177-Y179 HydrophobicContact CG-CE2 3.64Å; P177-Y179 WeakPolarHBondContact O-CD2 3.42Å; P177-Y179 PolarHBondContact O-N 3.28Å; Y179-R181 PolarHBondContact O-N 2.98Å
180V52.2Low52Low100 Ų100121.5 Ų121.561%0.60660%0.6SS**  trans-71.493.6176.4-176.70000109.4M178 R182M178-V180 PolarHBondContact O-N 3.42Å; V180-R182 PolarHBondContact O-N 3.02Å
181R36.6Very low51Low216 Ų216115.2 Ų115.282%0.81559%0.589SS**  trans-57.1110.5172.4-81.3-174.7169.6-176.5-2.5110.1Y179 R183Y179-R181 PolarHBondContact O-N 2.98Å; R181-R183 PolarHBondContact O-N 2.98Å
182R33.6Very low49.6Very low226 Ų226120 Ų12085%0.85361%0.608SS**  trans-59.197.7165.9-75.1-176.2175.7-115.76109.5V180 S184V180-R182 PolarHBondContact O-N 3.02Å; R182-S184 VanDerWaalsContact C-N 3.28Å; R182-S184 PolarHBondContact O-N 2.82Å
183R30.3Very low47.8Very low239 Ų239120.4 Ų120.490%0.90261%0.614SS**  trans-79.475.8172.9-73.5-169.5-177.3-114.29.3110.4R181R181-R183 PolarHBondContact O-N 2.98Å
184S28.9Very low45.7Very low99 Ų99125.5 Ų125.569%0.69265%0.648SS**  trans-146.639.6172.867.70000112.1R182R182-S184 VanDerWaalsContact C-N 3.28Å; R182-S184 PolarHBondContact O-N 2.82Å
185V33.5Very low43.6Very low128 Ų128127.7 Ų127.778%0.77667%0.665SS**SBendtrans-139.5144.8169.9-162.60000107.7
186T33.1Very low41Very low118 Ų118135.7 Ų135.772%0.72470%0.701SS**PPolyproline II helixtrans-56.7153.8163.825.60000111
187P34.3Very low38.5Very low118 Ų118135.8 Ų135.877%0.76671%0.714SS**PPolyproline II helixtrans-59.5136.1170.7-18.631.5000110.1
188P34.1Very low36.2Very low111 Ų111140.8 Ų140.872%0.72175%0.747SS**PPolyproline II helixtrans-69.2137.4162.330.3-32.3000108.9V190P188-V190 PolarHBondContact O-N 3.28Å
189D29.7Very low33.8Very low168 Ų168146.8 Ų146.890%0.89877%0.767SS**  trans-64108.7171-90.6-45.2000110G191D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact O-N 3.02Å; D189-G191 VanDerWaalsContact O-N 3.15Å
190V33.3Very low32.3Very low129 Ų129147.7 Ų147.778%0.78279%0.785SS**  trans-81.987.9165.4-178.60000106.8P188 Y192P188-V190 PolarHBondContact O-N 3.28Å; V190-Y192 PolarHBondContact O-N 3.45Å; V190-Y192 VanDerWaalsContact O-N 3.1Å
191G28.7Very low31Very low68 Ų68150.5 Ų150.570%0.70179%0.786SS**  trans-59.4111.3-176.600000112.6D189 L193D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact O-N 3.02Å; D189-G191 VanDerWaalsContact O-N 3.15Å; G191-L193 PolarHBondContact O-N 3.47Å
192Y30.6Very low30.7Very low226 Ų226149 Ų14989%0.88678%0.78SS**PPolyproline II helixtrans-74120166.2-118.2-93.8000109V190 P194V190-Y192 PolarHBondContact O-N 3.45Å; V190-Y192 VanDerWaalsContact O-N 3.1Å; Y192-P194 WeakPolarHBondContact O-CD 3.26Å
193L30.3Very low30.6Very low157 Ų157144.8 Ų144.882%0.82277%0.77SS**PPolyproline II helixtrans-72.6127.2177.5-77.3167.4000110.9G191 L195G191-L193 PolarHBondContact O-N 3.47Å; L193-L195 PolarHBondContact O-N 2.88Å
194P29.1Very low30.5Very low121 Ų121145.6 Ų145.679%0.78677%0.773SS**PPolyproline II helixtrans-70.9126.3166.8-15.731000110.5Y192 H196Y192-P194 WeakPolarHBondContact O-CD 3.26Å; P194-H196 PolarHBondContact O-N 3.4Å
195L29.6Very low30.6Very low170 Ų170145.7 Ų145.789%0.8977%0.774SS**  trans-81.896.3170.8-76166.7000110L193L193-L195 PolarHBondContact O-N 2.88Å
196H27Very low30.6Very low190 Ų190147.6 Ų147.688%0.8878%0.778SS**  177.3140.4129.3-106.3-89.4000111.2P194P194-H196 PolarHBondContact O-N 3.4Å
197A27.4Very low30.4Very low72 Ų72147.2 Ų147.260%0.59578%0.781SS**  trans-101.6168.8174.500000111.3
198P31Very low30.8Very low130 Ų130147.2 Ų147.284%0.84478%0.781SS**  -139.6168.789.134.7-18.8000117
199Y25.7Very low31.8Very low196 Ų196147.7 Ų147.777%0.76978%0.784SS**  trans-74.8174.4173.6-85.5-92.1000112.6
200P40.1Very low31.7Very low119 Ų119143.2 Ų143.277%0.77378%0.777SS**  cis-121.7160.324.71215.3000116.2
201Y25.3Very low32.1Very low160 Ų160143.8 Ų143.863%0.62778%0.784SS**  78.3133.259.1-139.4-125.7000112.7
202R28.6Very low32.1Very low185 Ų185145 Ų14570%0.69879%0.787SS**  cis-148.9168.516-157.4-178.4-155.9-167.116.4114.1
203Q32.7Very low32.2Very low136 Ų136141.5 Ų141.564%0.63679%0.789SS**  trans-55.8159.8179.9-49.5140.9-87.800118.2
204R27.8Very low32.1Very low257 Ų257141.5 Ų141.597%0.9779%0.79SS**  -135.3164.9118.9-91.6-165.3178.8-149.9-0.1110.4
205S31.4Very low32.4Very low101 Ų101140.7 Ų140.771%0.70679%0.787SS**  trans-148.4147.9-161.553.60000113.3
206L32.4Very low32.4Very low167 Ų167140.6 Ų140.687%0.87479%0.787SS**  trans-152.6114.7161.4-99.4175.7000113.5
207S28.8Very low32.6Very low110 Ų110142.3 Ų142.377%0.76979%0.785SS**  trans24.6162.6147.3-51.80000126.8
208P44Very low33Very low118 Ų118148.1 Ų148.177%0.76680%0.8SS**  trans-125.6-150.5-172.446.1-28.2000112.9
209P54.8Low33.1Very low121 Ų121149.2 Ų149.279%0.78680%0.798SS**  cis-132.6170.3-36.331.5-12000116.8
210G27Very low33.2Very low74 Ų74151.4 Ų151.476%0.76381%0.805SS**  trans95.4173.414500000119.3
211P41.1Very low32.8Very low142 Ų142150.9 Ų150.992%0.92281%0.81SS**  cis-117.5-162.6-842.3-28.3000113.2
212A29.9Very low33Very low93 Ų93153.8 Ų153.877%0.76982%0.82SS**  trans-115.3158.9-168.600000115.5
213V32Very low32.8Very low152 Ų152152 Ų15292%0.92182%0.82SS**  trans-142.3138142.5-89.40000109.6
214N28.7Very low32.7Very low157 Ų157156 Ų15684%0.8483%0.83SS**  trans-136.1167.2169.1-158.3-0.8000107.7
215S34.6Very low32.7Very low105 Ų105148.4 Ų148.473%0.73482%0.823SS**  trans72.383.2175.5-49.60000117.6
216L30.2Very low32.8Very low168 Ų168151.4 Ų151.488%0.8883%0.83SS**  trans-155.4149.8136.4-146.573.2000112.3
217R30.5Very low32.6Very low226 Ų226152.7 Ų152.785%0.85383%0.832SS**  trans84.254.7176.3-57.8-174.7173.9170.5-0.7118.3
218E36.8Very low32.7Very low193 Ų193151.9 Ų151.990%0.90283%0.826SS**  -87.891.4123.9-177.8166.3-146.300108.1
219L32.3Very low32Very low153 Ų153154 Ų15480%0.80183%0.83SS**  trans177.3135.2159.7-103.2158.1000111.1
220R29.2Very low31.3Very low243 Ų243151.8 Ų151.892%0.91782%0.822SS**  trans81.483.8-179.3-54.1-176.8-168.4154.16.1117
221A30.3Very low31.9Very low107 Ų107156.6 Ų156.688%0.88483%0.829SS**  trans-115.269.1149.400000110
222R29.5Very low32.2Very low222 Ų222155 Ų15584%0.83882%0.817SS**  trans-134.6113163.9-91-164.4175.8-170.80.2111.4
223Q25.7Very low32.9Very low146 Ų146159.8 Ų159.868%0.68282%0.815SS**  trans73.3106.1142.2-66.7171.8-86.500119.8
224Y30.1Very low33.3Very low220 Ų220157.8 Ų157.886%0.86380%0.799SS**  trans60127.3139.6-69.2-80.3000121.9
225A27.8Very low33.9Very low98 Ų98159.3 Ų159.381%0.8179%0.793SS**  170.2161.7113.500000111.2
226L33.8Very low34.2Very low164 Ų164158.7 Ų158.786%0.85978%0.782SS**  trans-72158.5158.8-67.3107.8000108.3
227E28.4Very low35Very low195 Ų195158 Ų15891%0.91177%0.768SS**  -161.6-166.662.1-135.1-176.4146.900115.2
228S30.6Very low35.5Very low92 Ų92152.9 Ų152.964%0.64376%0.757SS**  trans-68.9148.9-167.8-168.80000115.5
229L29.5Very low36.2Very low163 Ų163148.9 Ų148.985%0.85374%0.741SS**  -174107.2109.7-95.5166.3000115
230A39.1Very low36.6Very low75 Ų75147 Ų14762%0.6273%0.732SS**  trans3789.3143.100000122.2
231L40.4Very low37Very low175 Ų175143.7 Ų143.792%0.91672%0.72SS**  trans-147.337153.2-84.5-170.9000113.8
232T46.7Very low37.5Very low109 Ų109146.2 Ų146.267%0.66971%0.708SS**  trans-93.3-18.5-169.328.20000117.2D234T232-D234 PolarHBondContact O-N 3.19Å
233R45.2Very low38.5Very low192 Ų192137.7 Ų137.773%0.72569%0.689SS**Hα-helixtrans-80.7-20.4-159.8-158.6159.875.2167.12.2117.2
234D39.6Very low39.4Very low110 Ų110136.2 Ų136.259%0.58868%0.684SS**Hα-helixtrans-97.5-16-179.8-61-56.5000113.5T232 R237 L238T232-D234 PolarHBondContact O-N 3.19Å; D234-R237 IonicContact OD1-NH1 3.17Å; D234-R237 PolarHBondContact OD1-NH1 3.15Å; D234-R237 VanDerWaalsContact OD1-NH1 3.17Å; D234-L238 PolarHBondContact O-N 3.02Å
235R42.1Very low40Very low189 Ų189131.4 Ų131.471%0.71367%0.672SS**Hα-helixtrans-67.9-40.8172.4178.2174.3166133.80112L238 L239R235-L238 PolarHBondContact O-N 3.43Å; R235-L239 HydrophobicContact CG-CD1 4.43Å; R235-L239 PolarHBondContact O-N 3.44Å
236D39.9Very low40.9Very low93 Ų93133.3 Ų133.350%0.49767%0.669SS.*Hα-helixtrans-66.1-44.4-180-63.3-21.1000111.1L238 L239 D240D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.49Å; D236-L239 WeakPolarHBondContact O-CB 3.33Å; D236-L239 PolarHBondContact O-N 3.13Å; D236-D240 PolarHBondContact O-N 3.05Å
237R47.7Very low41.3Very low153 Ų153132.9 Ų132.958%0.57766%0.663SS**Hα-helixtrans-58.3-34.6175.5-73.4170.4159.7178.8-11.6113.7D234 L239 Y241D234-R237 IonicContact OD1-NH1 3.17Å; D234-R237 PolarHBondContact OD1-NH1 3.15Å; D234-R237 VanDerWaalsContact OD1-NH1 3.17Å; R237-L239 VanDerWaalsContact C-N 3.35Å; R237-Y241 PolarHBondContact O-N 3.44Å
238L42.2Very low41.9Very low118 Ų118134.5 Ų134.562%0.61866%0.66SS**Hα-helixtrans-71.5-32.6177.5-159.875.6000111.5D234 R235 D236 Y242D234-L238 PolarHBondContact O-N 3.02Å; R235-L238 PolarHBondContact O-N 3.43Å; D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.49Å; L238-Y242 WeakPolarHBondContact O-CD2 3.4Å
239L49.6Very low42.6Very low109 Ų109133.2 Ų133.257%0.57166%0.661SS**Hα-helixtrans-71.7-42.8175.6-70.9162.7000111.5R235 D236 R237 Y241 Y242 G243R235-L239 HydrophobicContact CG-CD1 4.43Å; R235-L239 PolarHBondContact O-N 3.44Å; D236-L239 WeakPolarHBondContact O-CB 3.33Å; D236-L239 PolarHBondContact O-N 3.13Å; R237-L239 VanDerWaalsContact C-N 3.35Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.31Å; L239-Y242 PolarHBondContact O-N 3.25Å; L239-G243 PolarHBondContact O-N 2.97Å; L239-G243 VanDerWaalsContact O-N 3.09Å
240D42.2Very low43.3Very low114 Ų114136.1 Ų136.161%0.6166%0.661SS**Hα-helixtrans-56.4-40174.9-71.5-29.3000112.1D236 Y242 G243 M244D236-D240 PolarHBondContact O-N 3.05Å; D240-Y242 PolarHBondContact O-N 2.86Å; D240-G243 PolarHBondContact O-N 3.43Å; D240-M244 PolarHBondContact O-N 2.85Å
241Y36.5Very low43.3Very low173 Ų173138.2 Ų138.268%0.67867%0.668SS**Hα-helixtrans-66.9-36.2-177.2-163.3-93.3000113.3R237 L239R237-Y241 PolarHBondContact O-N 3.44Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.31Å
242Y41.5Very low43.2Very low160 Ų160140.4 Ų140.463%0.62767%0.671SS**Hα-helixtrans-77.7-35.7175.2-83.4-84000112.4L238 L239 D240 M244 L245L238-Y242 WeakPolarHBondContact O-CD2 3.4Å; L239-Y242 PolarHBondContact O-N 3.25Å; D240-Y242 PolarHBondContact O-N 2.86Å; Y242-M244 VanDerWaalsContact C-N 3.25Å; Y242-M244 PolarHBondContact O-N 2.87Å; Y242-L245 PolarHBondContact O-N 2.97Å
243G50.8Low42.6Very low43 Ų43138.2 Ų138.244%0.44367%0.67SS.*Hα-helixtrans-58.8-35177.300000113.7L239 D240 L245L239-G243 PolarHBondContact O-N 2.97Å; L239-G243 VanDerWaalsContact O-N 3.09Å; D240-G243 PolarHBondContact O-N 3.43Å; G243-L245 PolarHBondContact O-N 3.4Å
244M44.7Very low42.1Very low116 Ų116139.1 Ų139.157%0.57168%0.68SS**Hα-helixtrans-67.8-13.7179.7-79.3-61.2-45.200115.6D240 Y242D240-M244 PolarHBondContact O-N 2.85Å; Y242-M244 VanDerWaalsContact C-N 3.25Å; Y242-M244 PolarHBondContact O-N 2.87Å
245L43Very low42.2Very low118 Ų118139 Ų13962%0.61869%0.685SS**Hα-helixtrans-87.7-35.3-177.4-80.5161.1000113.2Y242 G243Y242-L245 PolarHBondContact O-N 2.97Å; G243-L245 PolarHBondContact O-N 3.4Å
246D46Very low42.1Very low139 Ų139136.1 Ų136.174%0.74369%0.691SS**Hα-helixtrans-75.5-25-176.3-79.3-22.4000113.8R248 G249D246-R248 PolarHBondContact O-N 3.47Å; D246-R248 VanDerWaalsContact O-N 3.15Å; D246-G249 PolarHBondContact O-N 3.08Å
247E42.4Very low41.9Very low154 Ų154139.3 Ų139.372%0.7271%0.705SS**G310 helixtrans-66.8-17.7-172.9-70.7-154.9127.300114.8G249E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 2.99Å
248R39.8Very low41.6Very low230 Ų230136.9 Ų136.987%0.86871%0.709SS**G310 helixtrans-80.2-3.3-176.1-67.5-175.2176.7178.60.1114.7D246D246-R248 PolarHBondContact O-N 3.47Å; D246-R248 VanDerWaalsContact O-N 3.15Å
249G46.3Very low41.4Very low64 Ų64137.6 Ų137.666%0.6672%0.718SS**G310 helixtrans-104.50.6-170.400000117.9D246 E247D246-G249 PolarHBondContact O-N 3.08Å; E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 2.99Å
250R43.4Very low41.2Very low224 Ų224137.9 Ų137.985%0.84572%0.724SS**  trans-120125.4-170-67.5-65.4-170.4178.90.3114.1
251P38.6Very low41.2Very low120 Ų120140.3 Ų140.378%0.77973%0.731SS**  trans-74.5148.4168.731.3-33.6000111.9G253P251-G253 PolarHBondContact O-N 3.37Å
252F40Very low41.7Very low220 Ų220136.6 Ų136.697%0.96572%0.723SS**SBendtrans-41.3123.9-174.9-64.6-96.6000116.2
253G34.3Very low42.4Very low64 Ų64133.2 Ų133.266%0.6672%0.716SS**  trans-179.674.3171.800000118.1P251P251-G253 PolarHBondContact O-N 3.37Å
254F33.9Very low42.6Very low210 Ų210136.7 Ų136.792%0.92172%0.719SS**  trans65.3145.1169.8-66.9-93.3000118.1
255P40.6Very low43.3Very low107 Ų107131.5 Ų131.570%0.69569%0.694SS**PPolyproline II helixtrans-75.8153.8170.433.3-35000111.1M257P255-M257 PolarHBondContact O-N 3.22Å
256P40Very low44Very low130 Ų130127.5 Ų127.584%0.84467%0.672SS**PPolyproline II helixtrans-63.5124.8172.527.2-33.4000110.2
257M36.3Very low44.2Very low159 Ų159124 Ų12478%0.78365%0.653SS**PPolyproline II helixtrans-62147.9160.6-76.2-74.5-68.400108.7P255 V259P255-M257 PolarHBondContact O-N 3.22Å; M257-V259 PolarHBondContact O-N 3.09Å
258P40.6Very low45.2Very low103 Ų103118.2 Ų118.267%0.66963%0.627SS**PPolyproline II helixtrans-57.2127.2174.425.1-33.9000109.1V260P258-V260 PolarHBondContact O-N 2.76Å
259V39.2Very low46.2Very low132 Ų132115.4 Ų115.480%0.862%0.624SS**  trans-64.5105.2169.5-179.10000106M257 E261M257-V259 PolarHBondContact O-N 3.09Å; V259-E261 PolarHBondContact O-N 2.88Å; V259-E261 VanDerWaalsContact O-N 3.14Å
260V45.9Very low46.8Very low116 Ų116122 Ų12270%0.70363%0.629SS**  trans-66.5109.8162-74.90000105.9P258 D262P258-V260 PolarHBondContact O-N 2.76Å; V260-D262 PolarHBondContact O-N 3.17Å
261E41.2Very low48.1Very low164 Ų164111.3 Ų111.377%0.76659%0.588SS**  trans-55.3125.1172.7-67.9169.2113.700107.6V259 L263V259-E261 PolarHBondContact O-N 2.88Å; V259-E261 VanDerWaalsContact O-N 3.14Å; E261-L263 PolarHBondContact O-N 2.89Å
262D47.3Very low50.2Low95 Ų95106 Ų10651%0.50855%0.554SS.*  trans-73.575.6176.5-95.6-49.4000108.7V260 K264 K330V260-D262 PolarHBondContact O-N 3.17Å; D262-K264 PolarHBondContact O-N 2.68Å; D262-K330 IonicContact OD1-NZ 3.75Å; D262-K330 PolarHBondContact OD1-NZ 2.91Å
263L55.3Low52.2Low90 Ų9095.7 Ų95.747%0.47151%0.509SS..  trans-48.2134.3171.4-69.6171.6000109.3E261 D267 D268E261-L263 PolarHBondContact O-N 2.89Å; L263-D267 HydrophobicContact CD2-CB 4.47Å; L263-D268 HydrophobicContact CB-CB 4.21Å
264K56.6Low54.8Low116 Ų11693.4 Ų93.450%0.50448%0.482SS..  trans-54.9150.9172.7-65.6178.6177.2-178.70109D262 E266 D267 D268D262-K264 PolarHBondContact O-N 2.68Å; K264-E266 HydrophobicContact CB-CB 4.31Å; K264-E266 PolarHBondContact O-N 3.41Å; K264-D267 PolarHBondContact O-N 2.96Å; K264-D268 PolarHBondContact O-N 3.02Å
265P59Low57.4Low7 Ų783.4 Ų83.45%0.04544%0.438CS..THydrogen-bonded Turntrans-67.8-10.3178.931.4-37.3000113.1A271 L323 H327 R410P265-A271 HydrophobicContact CB-CB 4Å; P265-L323 HydrophobicContact CB-CD2 3.83Å; P265-L323 HydrophobicContact CG-CD2 4.36Å; P265-H327 HydrophobicContact CB-CB 4.08Å; P265-H327 HydrophobicContact CG-CB 3.98Å; P265-R410 PolarHBondContact O-NH2 3.27Å
266E57.3Low59.8Low33 Ų3381.7 Ų81.715%0.15442%0.42CS..THydrogen-bonded Turntrans-66.4-40165.1-72.8142.7-138.800112.6K264 R420 R422K264-E266 HydrophobicContact CB-CB 4.31Å; K264-E266 PolarHBondContact O-N 3.41Å; E266-R420 HydrophobicContact CB-CB 4.23Å; E266-R420 HydrophobicContact CG-CB 3.87Å; E266-R422 HydrophobicContact CG-CG 3.53Å; E266-R422 IonicContact OE1-CZ 2.63Å; E266-R422 IonicContact OE1-NH1 2.79Å; E266-R422 PolarHBondContact OE1-NH1 3.08Å
267D50.4Low62.2Low65 Ų6575.5 Ų75.535%0.34838%0.38SS..THydrogen-bonded Turntrans-99-31.3-169.2-56.1-47.6000112.4L263 K264 Q269 R420L263-D267 HydrophobicContact CD2-CB 4.47Å; K264-D267 PolarHBondContact O-N 2.96Å; D267-Q269 PolarHBondContact O-N 3.38Å; D267-Q269 VanDerWaalsContact O-N 3.16Å; D267-R420 IonicContact OD1-CZ 2.59Å; D267-R420 IonicContact OD1-NH1 3.58Å; D267-R420 PolarHBondContact OD1-NH1 3.28Å
268D62.8Low64.6Low34 Ų3468.3 Ų68.318%0.18235%0.346CS..  trans-75.6102.6171-174.73.9000110.8L263 K264 R270 A271 Y347 R410L263-D268 HydrophobicContact CB-CB 4.21Å; K264-D268 PolarHBondContact O-N 3.02Å; D268-R270 PolarHBondContact O-N 2.63Å; D268-R270 WeakPolarHBondContact OD1-CA 3.25Å; D268-R270 WeakPolarHBondContact OD1-CB 3.37Å; D268-R270 PolarHBondContact OD1-N 3.43Å; D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 WeakPolarHBondContact O-CB 3.49Å; D268-A271 PolarHBondContact O-N 3.43Å; D268-Y347 VanDerWaalsContact OD2-CD2 3.28Å; D268-Y347 WeakPolarHBondContact OD2-CD2 3.23Å; D268-Y347 WeakPolarHBondContact OD2-CE2 3.23Å; D268-R410 PolarHBondContact O-NE 2.73Å; D268-R410 PolarHBondContact O-NH2 3.28Å; D268-R410 VanDerWaalsContact O-NH2 3.11Å
269Q60.3Low66.8Low171 Ų17166.6 Ų66.680%0.79933%0.331SS*.THydrogen-bonded Turntrans-54.5-19.7173.2-68.2-176.9-10.400113.9D267 R410D267-Q269 PolarHBondContact O-N 3.38Å; D267-Q269 VanDerWaalsContact O-N 3.16Å; Q269-R410 PolarHBondContact O-NH1 3.29Å; Q269-R410 VanDerWaalsContact O-NH1 3.15Å
270R60.1Low69Low201 Ų20160.5 Ų60.576%0.75829%0.294SS*.THydrogen-bonded Turntrans-90-8.2178.4-52.8178.1178.1-178.81113.4D268 T272 Y347D268-R270 PolarHBondContact O-N 2.63Å; D268-R270 WeakPolarHBondContact OD1-CA 3.25Å; D268-R270 WeakPolarHBondContact OD1-CB 3.37Å; D268-R270 PolarHBondContact OD1-N 3.43Å; R270-T272 PolarHBondContact O-N 2.77Å; R270-Y347 WeakPolarHBondContact O-CB 3.36Å
271A71.3Confident70.7Confident0 Ų057.1 Ų57.10%027%0.272CS..  trans-68.5126.3-176.100000112.2P265 D268 L323 Y347 R410P265-A271 HydrophobicContact CB-CB 4Å; D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 WeakPolarHBondContact O-CB 3.49Å; D268-A271 PolarHBondContact O-N 3.43Å; A271-L323 VanDerWaalsContact O-CD1 3.31Å; A271-L323 WeakPolarHBondContact O-CD1 3.49Å; A271-Y347 HydrophobicContact CB-CD1 4.18Å; A271-Y347 HydrophobicContact CB-CD2 3.95Å; A271-Y347 HydrophobicContact CB-CE1 3.73Å; A271-Y347 HydrophobicContact CB-CE2 3.46Å; A271-Y347 VanDerWaalsContact CB-CE2 3.46Å; A271-Y347 HydrophobicContact CB-CG 4.26Å; A271-R410 VanDerWaalsContact O-CZ 3.24Å; A271-R410 PolarHBondContact O-NH1 3.5Å; A271-R410 PolarHBondContact O-NH2 3.02Å
272T82.1Confident72.4Confident10 Ų1051 Ų516%0.06125%0.254CS..  trans-142.8161.5-174.860.10000110.5R270 N274 A326 G348 A350R270-T272 PolarHBondContact O-N 2.77Å; T272-N274 PolarHBondContact O-N 3.07Å; T272-N274 PolarHBondContact OG1-O 2.85Å; T272-N274 VanDerWaalsContact OG1-O 3.05Å; T272-A326 WeakPolarHBondContact O-CB 3.43Å; T272-G348 PolarHBondContact OG1-O 2.85Å; T272-A350 HydrophobicContact CG2-CB 3.67Å
273S82.2Confident73.9Confident3 Ų352.7 Ų52.72%0.02126%0.262CS..SBendtrans-64.1-18.7171.152.80000113.6F320 D424S273-F320 PolarHBondContact O-N 3.29Å; S273-D424 WeakPolarHBondContact CB-OD2 3.38Å; S273-D424 PolarHBondContact N-OD2 2.86Å; S273-D424 PolarHBondContact OG-OD2 3.42Å
274N88.5Confident75.3Confident16 Ų1648.5 Ų48.59%0.08624%0.241CC..EExtended strand (participates in β ladder)trans-86.3111.8172.6-72.3-8.7000110.1T272 K319 G348 K349T272-N274 PolarHBondContact O-N 3.07Å; T272-N274 PolarHBondContact OG1-O 2.85Å; T272-N274 VanDerWaalsContact OG1-O 3.05Å; N274-K319 WeakPolarHBondContact OD1-CB 3.44Å; N274-K319 WeakPolarHBondContact OD1-CD 3.11Å; N274-K319 WeakPolarHBondContact OD1-CG 3.37Å; N274-G348 WeakPolarHBondContact O-CA 3.38Å; N274-G348 PolarHBondContact O-N 2.87Å; N274-K349 PolarHBondContact ND2-O 3.32Å
275L89.1Confident76.7Confident0 Ų045.8 Ų45.80%023%0.234CC..EExtended strand (participates in β ladder)trans-90.7137.9167.8-61.4-172.4000111.3F317 V318 F320 A326 A329 K330 I345 Y347L275-F317 CarbonylContact O-C 3.58Å; L275-F317 VanDerWaalsContact O-CA 3.27Å; L275-F317 WeakPolarHBondContact O-CA 3.46Å; L275-V318 PolarHBondContact N-O 3Å; L275-V318 PolarHBondContact O-N 2.79Å; L275-F320 HydrophobicContact CD1-CD2 4.29Å; L275-F320 HydrophobicContact CD1-CE2 3.68Å; L275-F320 HydrophobicContact CG-CD2 4.31Å; L275-F320 HydrophobicContact CG-CE2 4.13Å; L275-A326 HydrophobicContact CD1-CB 4.49Å; L275-A326 WeakPolarHBondContact CD1-O 3.48Å; L275-A326 HydrophobicContact CD2-CB 3.91Å; L275-A326 HydrophobicContact CG-CB 4.01Å; L275-A329 HydrophobicContact CD1-CB 3.79Å; L275-K330 HydrophobicContact CD1-CB 4.45Å; L275-K330 HydrophobicContact CD2-CB 4.29Å; L275-I345 HydrophobicContact CB-CG2 4.2Å; L275-I345 HydrophobicContact CD1-CG2 3.96Å; L275-I345 HydrophobicContact CD2-CG2 4.24Å; L275-I345 HydrophobicContact CG-CG2 4.37Å; L275-Y347 HydrophobicContact CD2-CD1 3.72Å; L275-Y347 HydrophobicContact CD2-CE1 3.97Å
276F89.9Confident78.1Confident71 Ų7149.2 Ų49.231%0.31125%0.249SC..EExtended strand (participates in β ladder)trans-96.4128163.2166.3-96.4000108.9Y315 F317 I345 G346F276-Y315 HydrophobicContact CD2-CD2 4.38Å; F276-Y315 AromaticContact CE2-CD2 3.7Å; F276-Y315 HydrophobicContact CE2-CD2 3.7Å; F276-Y315 AromaticContact CE2-CG 3.97Å; F276-Y315 HydrophobicContact CE2-CG 3.97Å; F276-F317 HydrophobicContact CB-CD1 4.22Å; F276-F317 HydrophobicContact CB-CE1 4.03Å; F276-F317 HydrophobicContact CD2-CD1 4.31Å; F276-F317 AromaticContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE2 4.45Å; F276-F317 AromaticContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CE2-CZ 4.38Å; F276-F317 HydrophobicContact CG-CE1 4.32Å; F276-I345 WeakPolarHBondContact O-CA 3.43Å; F276-G346 PolarHBondContact N-O 3.36Å; F276-G346 PolarHBondContact O-N 3.28Å; F276-G346 VanDerWaalsContact O-O 3.11Å
277I89.9Confident79.5Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-117.5102.8178-49.9169.2000107.9L280 L289 F293 Y315 A316 V318 I343I277-L280 HydrophobicContact CB-CD1 4.49Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 HydrophobicContact CG2-CD2 3.82Å; I277-L280 HydrophobicContact CG2-CG 4.03Å; I277-L289 HydrophobicContact CD1-CD2 4.37Å; I277-F293 HydrophobicContact CD1-CD2 4.12Å; I277-F293 HydrophobicContact CD1-CE1 4.25Å; I277-F293 HydrophobicContact CD1-CE2 3.45Å; I277-F293 VanDerWaalsContact CD1-CE2 3.45Å; I277-F293 HydrophobicContact CD1-CZ 3.52Å; I277-F293 HydrophobicContact CG1-CZ 4.22Å; I277-Y315 CarbonylContact O-C 3.55Å; I277-Y315 WeakPolarHBondContact O-CA 3.42Å; I277-Y315 WeakPolarHBondContact O-CB 3.29Å; I277-A316 PolarHBondContact N-O 3.44Å; I277-A316 PolarHBondContact O-N 2.85Å; I277-V318 HydrophobicContact CD1-CB 4.27Å; I277-V318 HydrophobicContact CD1-CG2 3.51Å; I277-I343 HydrophobicContact CG2-CB 3.89Å; I277-I343 HydrophobicContact CG2-CD1 4.1Å; I277-I343 HydrophobicContact CG2-CG1 4.32Å; I277-I343 HydrophobicContact CG2-CG2 4.41Å
278G87Confident81.2Confident8 Ų850.6 Ų50.68%0.08226%0.263CS..EExtended strand (participates in β ladder)trans-94.5170.2173.500000112.8L280 K344G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.9Å; G278-K344 PolarHBondContact N-O 2.86Å; G278-K344 PolarHBondContact O-N 3.39Å
279N86.7Confident82.4Confident66 Ų6649 Ų4935%0.35325%0.254SS..EExtended strand (participates in β ladder)trans61.236.2-179.8-15664.8000113.8A314 N341 P342 K344N279-A314 PolarHBondContact N-O 3.37Å; N279-N341 WeakPolarHBondContact O-CB 3.24Å; N279-P342 PolarHBondContact ND2-O 2.9Å; N279-K344 HydrophobicContact CB-CG 4.39Å
280L85.7Confident83.8Confident5 Ų545.6 Ų45.63%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-77.1147.5167.8-64.8173.4000110I277 G278 V284 L289 A314 A316 I343I277-L280 HydrophobicContact CB-CD1 4.49Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 HydrophobicContact CG2-CD2 3.82Å; I277-L280 HydrophobicContact CG2-CG 4.03Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.9Å; L280-V284 HydrophobicContact CB-CG2 4.44Å; L280-V284 HydrophobicContact CD2-CG1 4.41Å; L280-L289 HydrophobicContact CD1-CD1 4.07Å; L280-L289 HydrophobicContact CD1-CD2 4.2Å; L280-L289 HydrophobicContact CD2-CD2 3.92Å; L280-A314 HydrophobicContact CB-CB 3.99Å; L280-A314 PolarHBondContact N-O 2.85Å; L280-A314 PolarHBondContact O-N 2.79Å; L280-A316 HydrophobicContact CD1-CB 3.6Å; L280-I343 HydrophobicContact CD2-CB 4.46Å; L280-I343 HydrophobicContact CD2-CG2 3.64Å
281D81.6Confident85Confident44 Ų4446.1 Ų46.124%0.23524%0.236CC..  trans-67.1153.9167.2-176.649.2000111.8N283 V284 G339 N341D281-N283 PolarHBondContact O-N 3.27Å; D281-N283 VanDerWaalsContact OD2-CB 3.31Å; D281-N283 WeakPolarHBondContact OD2-CB 3.21Å; D281-N283 PolarHBondContact OD2-N 2.99Å; D281-N283 VanDerWaalsContact OD2-N 3.08Å; D281-N283 PolarHBondContact OD2-ND2 3.47Å; D281-V284 HydrophobicContact CB-CG2 4.01Å; D281-V284 PolarHBondContact O-N 3.1Å; D281-G339 WeakPolarHBondContact CB-O 3.24Å; D281-N341 WeakPolarHBondContact CA-ND2 3.12Å; D281-N341 WeakPolarHBondContact CB-ND2 3.11Å
282G76.9Confident85.7Confident37 Ų3746.8 Ų46.838%0.38124%0.243SC..THydrogen-bonded Turntrans-61.2-25179.300000113.9R306G282-R306 PolarHBondContact O-NE 3.35Å; G282-R306 VanDerWaalsContact O-NE 3.14Å; G282-R306 PolarHBondContact O-NH2 2.82Å
283N80.3Confident86Confident129 Ų12946.3 Ų46.369%0.6924%0.24SC*.THydrogen-bonded Turntrans-84.5-20.9-178.2-58.7-46.8000113.9D281 T285 R306D281-N283 PolarHBondContact O-N 3.27Å; D281-N283 VanDerWaalsContact OD2-CB 3.31Å; D281-N283 WeakPolarHBondContact OD2-CB 3.21Å; D281-N283 PolarHBondContact OD2-N 2.99Å; D281-N283 VanDerWaalsContact OD2-N 3.08Å; D281-N283 PolarHBondContact OD2-ND2 3.47Å; N283-T285 PolarHBondContact O-N 3.15Å; N283-R306 PolarHBondContact O-NH2 3.06Å
284V83.9Confident86.2Confident2 Ų251 Ų511%0.01227%0.265CS..  trans-54.8123.7-171.1178.70000111.8L280 D281 E288 L289 R306 I338L280-V284 HydrophobicContact CB-CG2 4.44Å; L280-V284 HydrophobicContact CD2-CG1 4.41Å; D281-V284 HydrophobicContact CB-CG2 4.01Å; D281-V284 PolarHBondContact O-N 3.1Å; V284-E288 HydrophobicContact CG1-CB 4.25Å; V284-L289 HydrophobicContact CG1-CD2 4.02Å; V284-L289 HydrophobicContact CG1-CG 3.96Å; V284-R306 PolarHBondContact O-NH2 2.81Å; V284-I338 HydrophobicContact CG1-CG2 3.81Å; V284-I338 HydrophobicContact CG2-CG2 3.96Å
285T86.8Confident86.1Confident59 Ų5956.3 Ų56.336%0.36229%0.287SS..  trans-89.5162.9178.565.50000113N283 A287 E288 L289N283-T285 PolarHBondContact O-N 3.15Å; T285-A287 PolarHBondContact O-N 3.06Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.26Å; T285-E288 WeakPolarHBondContact CG2-OE1 3.36Å; T285-E288 PolarHBondContact N-OE1 2.85Å; T285-E288 PolarHBondContact O-N 2.95Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.48Å; T285-E288 PolarHBondContact OG1-OE1 3.08Å; T285-L289 PolarHBondContact O-N 3.19Å
286E87.6Confident86Confident80 Ų8058.5 Ų58.537%0.37430%0.296SS..Hα-helixtrans-61.8-35173.1-159.3-166.2138.600111.9E288 L289 R290 V302 I304E286-E288 PolarHBondContact O-N 3.2Å; E286-L289 PolarHBondContact O-N 2.94Å; E286-R290 WeakPolarHBondContact O-CG 3.27Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.61Å; E286-R290 IonicContact OE1-NE 2.74Å; E286-R290 PolarHBondContact OE1-NE 2.74Å; E286-R290 IonicContact OE1-NH2 3.67Å; E286-R290 PolarHBondContact OE1-NH2 3.43Å; E286-V302 HydrophobicContact CG-CB 3.69Å; E286-V302 HydrophobicContact CG-CG1 3.6Å; E286-V302 HydrophobicContact CG-CG2 4.43Å; E286-I304 HydrophobicContact CB-CD1 4.2Å
287A86.1Confident85.7Confident54 Ų5455.9 Ų55.945%0.44629%0.288SS..Hα-helixtrans-64.8-37.6177.900000112.5T285 R291T285-A287 PolarHBondContact O-N 3.06Å; A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.23Å; A287-R291 WeakPolarHBondContact O-CG 3.27Å; A287-R291 PolarHBondContact O-N 2.72Å
288E86.9Confident85.6Confident73 Ų7360.5 Ų60.534%0.34131%0.312SS..Hα-helixtrans-65.3-43.6172.8-72.7154.9-109.300112V284 T285 E286 G292V284-E288 HydrophobicContact CG1-CB 4.25Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.26Å; T285-E288 WeakPolarHBondContact CG2-OE1 3.36Å; T285-E288 PolarHBondContact N-OE1 2.85Å; T285-E288 PolarHBondContact O-N 2.95Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.48Å; T285-E288 PolarHBondContact OG1-OE1 3.08Å; E286-E288 PolarHBondContact O-N 3.2Å; E288-G292 PolarHBondContact O-N 3.3Å
289L87.8Confident85.7Confident0 Ų060.9 Ų60.90%031%0.312CS..Hα-helixtrans-64-48.3176.2-65.9178.8000110.7I277 L280 V284 T285 E286 R291 G292 F293 V302 I304 A316 I338I277-L289 HydrophobicContact CD1-CD2 4.37Å; L280-L289 HydrophobicContact CD1-CD1 4.07Å; L280-L289 HydrophobicContact CD1-CD2 4.2Å; L280-L289 HydrophobicContact CD2-CD2 3.92Å; V284-L289 HydrophobicContact CG1-CD2 4.02Å; V284-L289 HydrophobicContact CG1-CG 3.96Å; T285-L289 PolarHBondContact O-N 3.19Å; E286-L289 PolarHBondContact O-N 2.94Å; L289-R291 PolarHBondContact O-N 3.05Å; L289-G292 PolarHBondContact O-N 3.4Å; L289-G292 VanDerWaalsContact O-N 3.11Å; L289-F293 HydrophobicContact CD2-CE2 4.27Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 VanDerWaalsContact O-CD2 3.32Å; L289-F293 WeakPolarHBondContact O-CD2 3.11Å; L289-F293 PolarHBondContact O-N 2.98Å; L289-V302 HydrophobicContact CB-CG1 4.39Å; L289-V302 HydrophobicContact CD1-CG1 4.05Å; L289-I304 HydrophobicContact CD1-CD1 3.77Å; L289-I304 HydrophobicContact CD1-CG1 3.82Å; L289-A316 HydrophobicContact CD1-CB 3.52Å; L289-I338 HydrophobicContact CD2-CD1 4.11Å
290R88.9Confident85.6Confident99 Ų9960.8 Ų60.837%0.37431%0.31SS..Hα-helixtrans-55.2-55.2175.8-72.6-177.3-176.2-104.42.9110.8E286 G292 F293 D294 I299 V302E286-R290 WeakPolarHBondContact O-CG 3.27Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.61Å; E286-R290 IonicContact OE1-NE 2.74Å; E286-R290 PolarHBondContact OE1-NE 2.74Å; E286-R290 IonicContact OE1-NH2 3.67Å; E286-R290 PolarHBondContact OE1-NH2 3.43Å; R290-G292 PolarHBondContact O-N 3.02Å; R290-F293 PolarHBondContact O-N 2.86Å; R290-F293 VanDerWaalsContact O-N 3.08Å; R290-D294 WeakPolarHBondContact O-CB 3.38Å; R290-D294 PolarHBondContact O-N 3Å; R290-I299 HydrophobicContact CG-CD1 4.47Å; R290-V302 HydrophobicContact CG-CG2 4Å
291R87Confident85.5Confident213 Ų21364.4 Ų64.480%0.80433%0.329SS*.Hα-helixtrans-57.3-33.6176.3-70.8174-176.9-147.91.6113.5A287 L289A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.23Å; A287-R291 WeakPolarHBondContact O-CG 3.27Å; A287-R291 PolarHBondContact O-N 2.72Å; L289-R291 PolarHBondContact O-N 3.05Å
292G85.3Confident85.8Confident13 Ų1362.8 Ų62.813%0.13432%0.32CS..Hα-helixtrans-71.3-33.4177.300000113.8E288 L289 R290 K295E288-G292 PolarHBondContact O-N 3.3Å; L289-G292 PolarHBondContact O-N 3.4Å; L289-G292 VanDerWaalsContact O-N 3.11Å; R290-G292 PolarHBondContact O-N 3.02Å; G292-K295 PolarHBondContact O-NZ 3.25Å
293F87.8Confident86.3Confident0 Ų063.6 Ų63.60%032%0.318CS..Hα-helixtrans-111.6-26.1-167.3-81.3-82000115.2I277 L289 R290 K295 Y296 I299 F320 A329 M333 I338 I343 I345I277-F293 HydrophobicContact CD1-CD2 4.12Å; I277-F293 HydrophobicContact CD1-CE1 4.25Å; I277-F293 HydrophobicContact CD1-CE2 3.45Å; I277-F293 VanDerWaalsContact CD1-CE2 3.45Å; I277-F293 HydrophobicContact CD1-CZ 3.52Å; I277-F293 HydrophobicContact CG1-CZ 4.22Å; L289-F293 HydrophobicContact CD2-CE2 4.27Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 VanDerWaalsContact O-CD2 3.32Å; L289-F293 WeakPolarHBondContact O-CD2 3.11Å; L289-F293 PolarHBondContact O-N 2.98Å; R290-F293 PolarHBondContact O-N 2.86Å; R290-F293 VanDerWaalsContact O-N 3.08Å; F293-K295 PolarHBondContact O-N 3.35Å; F293-Y296 PolarHBondContact O-N 3.26Å; F293-I299 HydrophobicContact CB-CD1 3.76Å; F293-F320 HydrophobicContact CB-CZ 4.05Å; F293-F320 HydrophobicContact CD1-CZ 4.04Å; F293-F320 HydrophobicContact CG-CZ 4.48Å; F293-A329 HydrophobicContact CD1-CB 3.95Å; F293-A329 HydrophobicContact CE1-CB 4.3Å; F293-M333 HydrophobicContact CD1-CG 4.22Å; F293-M333 HydrophobicContact CD2-CE 4.43Å; F293-M333 HydrophobicContact CE1-CB 3.75Å; F293-M333 HydrophobicContact CE1-CG 3.82Å; F293-M333 HydrophobicContact CE2-CE 4.03Å; F293-M333 HydrophobicContact CZ-CB 3.85Å; F293-M333 HydrophobicContact CZ-CE 4.16Å; F293-M333 HydrophobicContact CZ-CG 4.13Å; F293-I338 HydrophobicContact CE2-CD1 4.07Å; F293-I343 HydrophobicContact CE2-CD1 4.14Å; F293-I343 HydrophobicContact CZ-CD1 3.81Å; F293-I345 HydrophobicContact CE1-CD1 3.78Å; F293-I345 HydrophobicContact CZ-CD1 3.73Å
294D87.3Confident86.7Confident102 Ų10259.7 Ų59.755%0.54530%0.297SS..G310 helixtrans-54.5-37.6-177.617972.6000113R290 Y296 G297 I299R290-D294 WeakPolarHBondContact O-CB 3.38Å; R290-D294 PolarHBondContact O-N 3Å; D294-Y296 PolarHBondContact O-N 2.71Å; D294-G297 PolarHBondContact O-N 2.84Å; D294-I299 HydrophobicContact CB-CD1 4.36Å
295K86.2Confident86.9Confident128 Ų12864.2 Ų64.256%0.55732%0.316SS*.G310 helixtrans-60.8-5.1175.670-176.5-168.2-840116.1G292 F293G292-K295 PolarHBondContact O-NZ 3.25Å; F293-K295 PolarHBondContact O-N 3.35Å
296Y86.2Confident86.8Confident46 Ų4668.1 Ų68.118%0.1832%0.324CS..G310 helixtrans-110-9.8174.1-56.3-69.3000113.7F293 D294 A329 A332 M333F293-Y296 PolarHBondContact O-N 3.26Å; D294-Y296 PolarHBondContact O-N 2.71Å; Y296-A329 HydrophobicContact CD2-CB 4.26Å; Y296-A329 HydrophobicContact CG-CB 4.26Å; Y296-A332 HydrophobicContact CD1-CB 4.07Å; Y296-A332 HydrophobicContact CE1-CB 3.28Å; Y296-A332 HydrophobicContact CE2-CB 4.38Å; Y296-A332 VanDerWaalsContact CZ-CB 3.45Å; Y296-A332 WeakPolarHBondContact OH-CB 3.44Å; Y296-M333 HydrophobicContact CD2-CG 4.1Å; Y296-M333 HydrophobicContact CE2-CG 3.33Å; Y296-M333 HydrophobicContact CE2-SD 3.73Å
297G84.9Confident86.2Confident15 Ų1566 Ų6616%0.15532%0.318CS..SBendtrans151.3170.3176.700000113.8D294 I299 F320D294-G297 PolarHBondContact O-N 2.84Å; G297-I299 PolarHBondContact O-N 2.71Å; G297-F320 WeakPolarHBondContact O-CE1 3.37Å
298I86.3Confident85.4Confident98 Ų9866.9 Ų66.950%0.50333%0.325SS..  trans-67.6125.8-173.8-60.1172.3000110.3F320 Q321 M325I298-F320 WeakPolarHBondContact O-CA 3.4Å; I298-Q321 HydrophobicContact CB-CB 4.32Å; I298-Q321 PolarHBondContact O-N 3.14Å; I298-M325 PolarHBondContact N-SD 2.94Å; I298-M325 VanDerWaalsContact N-SD 3.44Å
299I88.8Confident83.8Confident16 Ų1675.9 Ų75.98%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-95.2119.2177.8-58.9170.3000109.2R290 F293 D294 G297 V302 V318 K319 F320R290-I299 HydrophobicContact CG-CD1 4.47Å; F293-I299 HydrophobicContact CB-CD1 3.76Å; D294-I299 HydrophobicContact CB-CD1 4.36Å; G297-I299 PolarHBondContact O-N 2.71Å; I299-V302 HydrophobicContact CG2-CG2 3.47Å; I299-V302 VanDerWaalsContact CG2-CG2 3.47Å; I299-V318 HydrophobicContact CD1-CG1 4.28Å; I299-V318 HydrophobicContact CG1-CG1 4.16Å; I299-V318 HydrophobicContact CG2-CG1 3.86Å; I299-K319 CarbonylContact C-O 3.59Å; I299-K319 WeakPolarHBondContact CA-O 3.4Å; I299-F320 HydrophobicContact CG1-CD1 4.24Å; I299-F320 HydrophobicContact CG1-CE1 3.85Å; I299-F320 HydrophobicContact CG1-CZ 4.26Å
300E85.8Confident82.5Confident64 Ų6480 Ų8030%0.29940%0.398SS..EExtended strand (participates in β ladder)trans-78-43.5174.1-73.6-176.9-151.900112.5K319 Q321E300-K319 HydrophobicContact CB-CB 4.45Å; E300-K319 HydrophobicContact CB-CD 4.48Å; E300-K319 HydrophobicContact CB-CG 4.24Å; E300-K319 PolarHBondContact N-O 2.84Å; E300-K319 IonicContact OE1-NZ 3.82Å; E300-K319 PolarHBondContact OE1-NZ 2.65Å; E300-K319 WeakPolarHBondContact OE2-CD 3.42Å; E300-K319 WeakPolarHBondContact OE2-CE 3.27Å; E300-K319 IonicContact OE2-NZ 3.86Å; E300-K319 PolarHBondContact OE2-NZ 2.74Å; E300-Q321 WeakPolarHBondContact OE1-CA 3.25Å
301D83.4Confident81.3Confident81 Ų8183 Ų8343%0.43342%0.416SS..EExtended strand (participates in β ladder)trans-150145.3-168.6-174.120.1000111.3V303 V318 K319D301-V303 WeakPolarHBondContact OD2-CG2 3.48Å; D301-V318 WeakPolarHBondContact O-CA 3.48Å; D301-K319 HydrophobicContact CB-CB 4.12Å; D301-K319 PolarHBondContact N-O 3.49Å; D301-K319 PolarHBondContact O-N 2.81Å
302V88.2Confident80.3Confident9 Ų975.3 Ų75.36%0.05540%0.403CS..EExtended strand (participates in β ladder)trans-138.4108.7176.7-174.80000109.8E286 L289 R290 I299 I304 F317 V318E286-V302 HydrophobicContact CG-CB 3.69Å; E286-V302 HydrophobicContact CG-CG1 3.6Å; E286-V302 HydrophobicContact CG-CG2 4.43Å; L289-V302 HydrophobicContact CB-CG1 4.39Å; L289-V302 HydrophobicContact CD1-CG1 4.05Å; R290-V302 HydrophobicContact CG-CG2 4Å; I299-V302 HydrophobicContact CG2-CG2 3.47Å; I299-V302 VanDerWaalsContact CG2-CG2 3.47Å; V302-I304 HydrophobicContact CG1-CG1 4.39Å; V302-F317 CarbonylContact C-O 3.59Å; V302-F317 WeakPolarHBondContact CA-O 3.22Å; V302-V318 HydrophobicContact CG1-CG2 4.1Å; V302-V318 HydrophobicContact CG2-CG2 4.3Å
303V87.8Confident79.8Confident55 Ų5576.9 Ų76.933%0.33342%0.419SS..EExtended strand (participates in β ladder)trans-113.197.7-178.4-176.10000110D301 K305 A316 F317D301-V303 WeakPolarHBondContact OD2-CG2 3.48Å; V303-K305 HydrophobicContact CG1-CG 4.35Å; V303-A316 CarbonylContact O-C 3.59Å; V303-A316 WeakPolarHBondContact O-CA 3.4Å; V303-F317 PolarHBondContact N-O 3.3Å; V303-F317 PolarHBondContact O-N 3.35Å
304I88.8Confident79.6Confident47 Ų4777.2 Ų77.224%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-78.8131.9172.2-54.8-175.9000109.8E286 L289 V302 R306 A316E286-I304 HydrophobicContact CB-CD1 4.2Å; L289-I304 HydrophobicContact CD1-CD1 3.77Å; L289-I304 HydrophobicContact CD1-CG1 3.82Å; V302-I304 HydrophobicContact CG1-CG1 4.39Å; I304-R306 HydrophobicContact CG2-CG 4.09Å; I304-A316 HydrophobicContact CG1-CB 4.07Å
305K86.5Confident79.7Confident96 Ų9676.1 Ų76.142%0.41741%0.411SS..EExtended strand (participates in β ladder)trans-123.7114.8173.5-70177.9-177.7171.30109.4V303 P307 Y315 F317V303-K305 HydrophobicContact CG1-CG 4.35Å; K305-P307 WeakPolarHBondContact O-CD 3.44Å; K305-Y315 CarbonylContact C-O 3.58Å; K305-Y315 HydrophobicContact CB-CD1 4.46Å; K305-Y315 HydrophobicContact CB-CD2 4.01Å; K305-Y315 HydrophobicContact CB-CE1 4.04Å; K305-Y315 HydrophobicContact CB-CE2 3.56Å; K305-Y315 HydrophobicContact CB-CG 4.44Å; K305-Y315 HydrophobicContact CD-CE2 3.74Å; K305-Y315 HydrophobicContact CG-CE2 4.23Å; K305-Y315 PolarHBondContact N-O 2.78Å; K305-Y315 WeakPolarHBondContact O-CD1 3.23Å; K305-Y315 PolarHBondContact O-N 2.85Å; K305-Y315 VanDerWaalsContact O-N 3.09Å; K305-F317 HydrophobicContact CD-CE2 4.21Å
306R84.6Confident79.8Confident142 Ų14270 Ų7054%0.53638%0.384SS..  trans-102102.4176.8-63.2178.2-179.4167.3-6.3107.9G282 N283 V284 I304 A314G282-R306 PolarHBondContact O-NE 3.35Å; G282-R306 VanDerWaalsContact O-NE 3.14Å; G282-R306 PolarHBondContact O-NH2 2.82Å; N283-R306 PolarHBondContact O-NH2 3.06Å; V284-R306 PolarHBondContact O-NH2 2.81Å; I304-R306 HydrophobicContact CG2-CG 4.09Å; R306-A314 HydrophobicContact CG-CB 4.16Å
307P76.9Confident80Confident36 Ų3671 Ų7123%0.23439%0.389CS..PPolyproline II helixtrans-67.3158.9174.930.3-33.4000110.2K305 Q311 G313 Y315K305-P307 WeakPolarHBondContact O-CD 3.44Å; P307-Q311 HydrophobicContact CB-CB 4.44Å; P307-G313 WeakPolarHBondContact CD-O 3.1Å; P307-G313 WeakPolarHBondContact CG-O 3.34Å; P307-Y315 HydrophobicContact CB-CE1 4.5Å; P307-Y315 HydrophobicContact CG-CD1 4.41Å; P307-Y315 HydrophobicContact CG-CE1 4.11Å
308A67.7Low80.3Confident72 Ų7270.2 Ų70.260%0.59538%0.382SS*.PPolyproline II helixtrans-61148.9-179.600000111.9G310 Q311A308-G310 PolarHBondContact O-N 2.68Å; A308-G310 VanDerWaalsContact O-N 3.08Å; A308-Q311 PolarHBondContact O-N 3.48Å
309R54.5Low80.4Confident262 Ų26267 Ų6799%0.98936%0.364SS*.THydrogen-bonded Turntrans-49.5117.3-178.4-78.9-177.1172.5168.4-1.9110.7
310G60.5Low80.4Confident86 Ų8666.2 Ų66.289%0.88736%0.36SS*.THydrogen-bonded Turntrans106.4-14.7-179.900000115.6A308A308-G310 PolarHBondContact O-N 2.68Å; A308-G310 VanDerWaalsContact O-N 3.08Å
311Q63.1Low80.3Confident162 Ų16266.3 Ų66.376%0.75736%0.361SS*.SBendtrans-96.4-2.5-177.8-148.6-179.540.500114.6P307 A308P307-Q311 HydrophobicContact CB-CB 4.44Å; A308-Q311 PolarHBondContact O-N 3.48Å
312G65.9Low80.2Confident52 Ų5263.3 Ų63.354%0.53634%0.344SS..  trans155.8175.4176.200000112.6
313G75.1Confident80Confident45 Ų4562.9 Ų62.946%0.46434%0.342SS..  trans-75169.2163.600000111.5P307P307-G313 WeakPolarHBondContact CD-O 3.1Å; P307-G313 WeakPolarHBondContact CG-O 3.34Å
314A83.7Confident79.8Confident8 Ų862.1 Ų62.17%0.06634%0.336CS..EExtended strand (participates in β ladder)trans-68.5152.117300000110.7N279 L280 R306N279-A314 PolarHBondContact N-O 3.37Å; L280-A314 HydrophobicContact CB-CB 3.99Å; L280-A314 PolarHBondContact N-O 2.85Å; L280-A314 PolarHBondContact O-N 2.79Å; R306-A314 HydrophobicContact CG-CB 4.16Å
315Y88.5Confident79.8Confident79 Ų7961.2 Ų61.231%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-141.3154.2175.860.3-81.6000111F276 I277 K305 P307 F317F276-Y315 HydrophobicContact CD2-CD2 4.38Å; F276-Y315 AromaticContact CE2-CD2 3.7Å; F276-Y315 HydrophobicContact CE2-CD2 3.7Å; F276-Y315 AromaticContact CE2-CG 3.97Å; F276-Y315 HydrophobicContact CE2-CG 3.97Å; I277-Y315 CarbonylContact O-C 3.55Å; I277-Y315 WeakPolarHBondContact O-CA 3.42Å; I277-Y315 WeakPolarHBondContact O-CB 3.29Å; K305-Y315 CarbonylContact C-O 3.58Å; K305-Y315 HydrophobicContact CB-CD1 4.46Å; K305-Y315 HydrophobicContact CB-CD2 4.01Å; K305-Y315 HydrophobicContact CB-CE1 4.04Å; K305-Y315 HydrophobicContact CB-CE2 3.56Å; K305-Y315 HydrophobicContact CB-CG 4.44Å; K305-Y315 HydrophobicContact CD-CE2 3.74Å; K305-Y315 HydrophobicContact CG-CE2 4.23Å; K305-Y315 PolarHBondContact N-O 2.78Å; K305-Y315 WeakPolarHBondContact O-CD1 3.23Å; K305-Y315 PolarHBondContact O-N 2.85Å; K305-Y315 VanDerWaalsContact O-N 3.09Å; P307-Y315 HydrophobicContact CB-CE1 4.5Å; P307-Y315 HydrophobicContact CG-CD1 4.41Å; P307-Y315 HydrophobicContact CG-CE1 4.11Å; Y315-F317 AromaticContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CZ 4.39Å; Y315-F317 AromaticContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CZ 4.39Å
316A89.6Confident79.9Confident0 Ų056.6 Ų56.60%031%0.311CS..EExtended strand (participates in β ladder)trans-132.3157.317700000111.2I277 L280 L289 V303 I304I277-A316 PolarHBondContact N-O 3.44Å; I277-A316 PolarHBondContact O-N 2.85Å; L280-A316 HydrophobicContact CD1-CB 3.6Å; L289-A316 HydrophobicContact CD1-CB 3.52Å; V303-A316 CarbonylContact O-C 3.59Å; V303-A316 WeakPolarHBondContact O-CA 3.4Å; I304-A316 HydrophobicContact CG1-CB 4.07Å
317F90.8Very high79.9Confident65 Ų6551.9 Ų51.929%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-112.1132.8162.3-62.4-88.8000108.3L275 F276 V302 V303 K305 Y315L275-F317 CarbonylContact O-C 3.58Å; L275-F317 VanDerWaalsContact O-CA 3.27Å; L275-F317 WeakPolarHBondContact O-CA 3.46Å; F276-F317 HydrophobicContact CB-CD1 4.22Å; F276-F317 HydrophobicContact CB-CE1 4.03Å; F276-F317 HydrophobicContact CD2-CD1 4.31Å; F276-F317 AromaticContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE2 4.45Å; F276-F317 AromaticContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CE2-CZ 4.38Å; F276-F317 HydrophobicContact CG-CE1 4.32Å; V302-F317 CarbonylContact C-O 3.59Å; V302-F317 WeakPolarHBondContact CA-O 3.22Å; V303-F317 PolarHBondContact N-O 3.3Å; V303-F317 PolarHBondContact O-N 3.35Å; K305-F317 HydrophobicContact CD-CE2 4.21Å; Y315-F317 AromaticContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CZ 4.39Å; Y315-F317 AromaticContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CZ 4.39Å
318V90.2Very high80.4Confident0 Ų056.5 Ų56.50%031%0.308CS..EExtended strand (participates in β ladder)trans-122.2116175.5174.90000107.2L275 I277 I299 D301 V302 F320L275-V318 PolarHBondContact N-O 3Å; L275-V318 PolarHBondContact O-N 2.79Å; I277-V318 HydrophobicContact CD1-CB 4.27Å; I277-V318 HydrophobicContact CD1-CG2 3.51Å; I299-V318 HydrophobicContact CD1-CG1 4.28Å; I299-V318 HydrophobicContact CG1-CG1 4.16Å; I299-V318 HydrophobicContact CG2-CG1 3.86Å; D301-V318 WeakPolarHBondContact O-CA 3.48Å; V302-V318 HydrophobicContact CG1-CG2 4.1Å; V302-V318 HydrophobicContact CG2-CG2 4.3Å; V318-F320 HydrophobicContact CB-CE2 4.49Å; V318-F320 HydrophobicContact CG1-CD2 4.16Å; V318-F320 HydrophobicContact CG1-CE2 3.64Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å
319K87.9Confident81.3Confident30 Ų3053.1 Ų53.113%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-93.3123173.9-177.9169.6-167.6-59.10109.6N274 I299 E300 D301N274-K319 WeakPolarHBondContact OD1-CB 3.44Å; N274-K319 WeakPolarHBondContact OD1-CD 3.11Å; N274-K319 WeakPolarHBondContact OD1-CG 3.37Å; I299-K319 CarbonylContact C-O 3.59Å; I299-K319 WeakPolarHBondContact CA-O 3.4Å; E300-K319 HydrophobicContact CB-CB 4.45Å; E300-K319 HydrophobicContact CB-CD 4.48Å; E300-K319 HydrophobicContact CB-CG 4.24Å; E300-K319 PolarHBondContact N-O 2.84Å; E300-K319 IonicContact OE1-NZ 3.82Å; E300-K319 PolarHBondContact OE1-NZ 2.65Å; E300-K319 WeakPolarHBondContact OE2-CD 3.42Å; E300-K319 WeakPolarHBondContact OE2-CE 3.27Å; E300-K319 IonicContact OE2-NZ 3.86Å; E300-K319 PolarHBondContact OE2-NZ 2.74Å; D301-K319 HydrophobicContact CB-CB 4.12Å; D301-K319 PolarHBondContact N-O 3.49Å; D301-K319 PolarHBondContact O-N 2.81Å
320F88.4Confident82.9Confident0 Ų041.4 Ų41.40%024%0.236CC..EExtended strand (participates in β ladder)trans-88.5161.4166.7-71.1-90.8000111.1S273 L275 F293 G297 I298 I299 V318 M325 A326 A329S273-F320 PolarHBondContact O-N 3.29Å; L275-F320 HydrophobicContact CD1-CD2 4.29Å; L275-F320 HydrophobicContact CD1-CE2 3.68Å; L275-F320 HydrophobicContact CG-CD2 4.31Å; L275-F320 HydrophobicContact CG-CE2 4.13Å; F293-F320 HydrophobicContact CB-CZ 4.05Å; F293-F320 HydrophobicContact CD1-CZ 4.04Å; F293-F320 HydrophobicContact CG-CZ 4.48Å; G297-F320 WeakPolarHBondContact O-CE1 3.37Å; I298-F320 WeakPolarHBondContact O-CA 3.4Å; I299-F320 HydrophobicContact CG1-CD1 4.24Å; I299-F320 HydrophobicContact CG1-CE1 3.85Å; I299-F320 HydrophobicContact CG1-CZ 4.26Å; V318-F320 HydrophobicContact CB-CE2 4.49Å; V318-F320 HydrophobicContact CG1-CD2 4.16Å; V318-F320 HydrophobicContact CG1-CE2 3.64Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å; F320-M325 HydrophobicContact CB-CB 4.03Å; F320-M325 HydrophobicContact CD1-CB 3.73Å; F320-M325 HydrophobicContact CG-CB 4.07Å; F320-A326 HydrophobicContact CB-CB 4.24Å; F320-A326 HydrophobicContact CD2-CB 3.82Å; F320-A326 HydrophobicContact CG-CB 4.26Å; F320-A329 HydrophobicContact CE1-CB 4.2Å; F320-A329 HydrophobicContact CE2-CB 3.72Å; F320-A329 HydrophobicContact CZ-CB 3.44Å; F320-A329 VanDerWaalsContact CZ-CB 3.44Å
321Q84.1Confident84.1Confident66 Ų6640.7 Ų40.731%0.30821%0.214SC..SBendtrans-62.4-43.8171.2-170.6-177.139.100112I298 E300 M325I298-Q321 HydrophobicContact CB-CB 4.32Å; I298-Q321 PolarHBondContact O-N 3.14Å; E300-Q321 WeakPolarHBondContact OE1-CA 3.25Å; Q321-M325 HydrophobicContact CB-SD 4.2Å
322N81.9Confident85.3Confident17 Ų1734.8 Ų34.89%0.09119%0.193CC..SBendtrans-128.4144.4-174.3-62.3-34.5000111.5D324 M325 A326 W357 Y393N322-D324 PolarHBondContact O-N 2.98Å; N322-M325 HydrophobicContact CB-CG 4.27Å; N322-M325 HydrophobicContact CB-SD 4.15Å; N322-M325 WeakPolarHBondContact O-CB 3.47Å; N322-M325 PolarHBondContact O-N 2.95Å; N322-A326 PolarHBondContact O-N 3.23Å; N322-W357 HydrophobicContact CB-CZ2 4.23Å; N322-W357 PolarHBondContact OD1-NE1 3.21Å; N322-Y393 PolarHBondContact OD1-OH 3.44Å
323L84.5Confident86.2Confident1 Ų132.7 Ų32.71%0.00517%0.169CC..Hα-helixtrans-60.6-31.3177.9167162000112.6P265 A271 M325 A326 H327 W357 R422 D424P265-L323 HydrophobicContact CB-CD2 3.83Å; P265-L323 HydrophobicContact CG-CD2 4.36Å; A271-L323 VanDerWaalsContact O-CD1 3.31Å; A271-L323 WeakPolarHBondContact O-CD1 3.49Å; L323-M325 VanDerWaalsContact C-N 3.27Å; L323-M325 PolarHBondContact O-N 2.93Å; L323-A326 PolarHBondContact O-N 3Å; L323-H327 PolarHBondContact O-N 3.34Å; L323-W357 HydrophobicContact CB-CE3 4.14Å; L323-W357 HydrophobicContact CB-CZ3 3.76Å; L323-W357 HydrophobicContact CD2-CZ3 4.12Å; L323-W357 HydrophobicContact CG-CZ3 4.44Å; L323-R422 HydrophobicContact CD2-CB 4.25Å; L323-D424 HydrophobicContact CB-CB 4.14Å; L323-D424 HydrophobicContact CD1-CB 3.79Å
324D83.7Confident86.8Confident39 Ų3934.3 Ų34.321%0.20917%0.165CC..Hα-helixtrans-67.2-23.5174.2-76.2-0.2000114N322 R328 W357 R422N322-D324 PolarHBondContact O-N 2.98Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-NE 2.77Å; D324-W357 HydrophobicContact CB-CH2 4.16Å; D324-W357 HydrophobicContact CB-CZ2 4.46Å; D324-W357 VanDerWaalsContact CG-CH2 3.49Å; D324-W357 WeakPolarHBondContact OD1-CH2 3.49Å; D324-R422 IonicContact OD1-CZ 3.31Å; D324-R422 IonicContact OD1-NE 2.79Å; D324-R422 PolarHBondContact OD1-NE 3.42Å; D324-R422 IonicContact OD1-NH2 3.82Å; D324-R422 PolarHBondContact OD1-NH2 3.13Å; D324-R422 IonicContact OD2-CZ 2.77Å; D324-R422 IonicContact OD2-NE 3.79Å; D324-R422 IonicContact OD2-NH2 3.73Å; D324-R422 PolarHBondContact OD2-NH2 3.44Å
325M88.1Confident86.7Confident27 Ų2736 Ų3613%0.13318%0.183CC..Hα-helixtrans-77.7-45.8171-63.7169174.800109.8I298 F320 Q321 N322 L323 H327 R328 A329I298-M325 PolarHBondContact N-SD 2.94Å; I298-M325 VanDerWaalsContact N-SD 3.44Å; F320-M325 HydrophobicContact CB-CB 4.03Å; F320-M325 HydrophobicContact CD1-CB 3.73Å; F320-M325 HydrophobicContact CG-CB 4.07Å; Q321-M325 HydrophobicContact CB-SD 4.2Å; N322-M325 HydrophobicContact CB-CG 4.27Å; N322-M325 HydrophobicContact CB-SD 4.15Å; N322-M325 WeakPolarHBondContact O-CB 3.47Å; N322-M325 PolarHBondContact O-N 2.95Å; L323-M325 VanDerWaalsContact C-N 3.27Å; L323-M325 PolarHBondContact O-N 2.93Å; M325-H327 PolarHBondContact O-N 2.9Å; M325-R328 PolarHBondContact O-N 2.82Å; M325-A329 VanDerWaalsContact O-CB 3.31Å; M325-A329 WeakPolarHBondContact O-CB 3.31Å; M325-A329 PolarHBondContact O-N 3.07Å
326A87.8Confident86.5Confident0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-59.6-41176.600000112.9T272 L275 F320 N322 L323 A329 K330T272-A326 WeakPolarHBondContact O-CB 3.43Å; L275-A326 HydrophobicContact CD1-CB 4.49Å; L275-A326 WeakPolarHBondContact CD1-O 3.48Å; L275-A326 HydrophobicContact CD2-CB 3.91Å; L275-A326 HydrophobicContact CG-CB 4.01Å; F320-A326 HydrophobicContact CB-CB 4.24Å; F320-A326 HydrophobicContact CD2-CB 3.82Å; F320-A326 HydrophobicContact CG-CB 4.26Å; N322-A326 PolarHBondContact O-N 3.23Å; L323-A326 PolarHBondContact O-N 3Å; A326-A329 PolarHBondContact O-N 2.94Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 PolarHBondContact O-N 3.38Å
327H85.3Confident86.2Confident42 Ų4245.4 Ų45.419%0.19423%0.226CC..Hα-helixtrans-62.7-48.2175175.8-112.5000112.4P265 L323 M325 A329 K330 V331 Y347P265-H327 HydrophobicContact CB-CB 4.08Å; P265-H327 HydrophobicContact CG-CB 3.98Å; L323-H327 PolarHBondContact O-N 3.34Å; M325-H327 PolarHBondContact O-N 2.9Å; H327-A329 VanDerWaalsContact C-N 3.33Å; H327-A329 PolarHBondContact O-N 3.19Å; H327-K330 PolarHBondContact O-N 2.8Å; H327-V331 WeakPolarHBondContact NE2-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.47Å; H327-Y347 PolarHBondContact CD2-OH 3.43Å
328R86.6Confident85.7Confident134 Ų13443.2 Ų43.251%0.50622%0.217SC..Hα-helixtrans-61-42.4177.2-76179.9-71.6162.6-2.4111.7D324 M325 A332D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-NE 2.77Å; M325-R328 PolarHBondContact O-N 2.82Å; R328-A332 VanDerWaalsContact O-CB 3.3Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.87Å
329A88.3Confident84.7Confident0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-60.3-46.3173.600000112.6L275 F293 Y296 F320 M325 A326 H327 M333L275-A329 HydrophobicContact CD1-CB 3.79Å; F293-A329 HydrophobicContact CD1-CB 3.95Å; F293-A329 HydrophobicContact CE1-CB 4.3Å; Y296-A329 HydrophobicContact CD2-CB 4.26Å; Y296-A329 HydrophobicContact CG-CB 4.26Å; F320-A329 HydrophobicContact CE1-CB 4.2Å; F320-A329 HydrophobicContact CE2-CB 3.72Å; F320-A329 HydrophobicContact CZ-CB 3.44Å; F320-A329 VanDerWaalsContact CZ-CB 3.44Å; M325-A329 VanDerWaalsContact O-CB 3.31Å; M325-A329 WeakPolarHBondContact O-CB 3.31Å; M325-A329 PolarHBondContact O-N 3.07Å; A326-A329 PolarHBondContact O-N 2.94Å; H327-A329 VanDerWaalsContact C-N 3.33Å; H327-A329 PolarHBondContact O-N 3.19Å; A329-M333 VanDerWaalsContact O-CB 3.31Å; A329-M333 WeakPolarHBondContact O-CB 3.36Å; A329-M333 PolarHBondContact O-N 2.99Å; A329-M333 VanDerWaalsContact O-N 3.13Å
330K87.1Confident84.2Confident17 Ų1746.8 Ų46.87%0.07426%0.263CS..Hα-helixtrans-55.1-58.6175.1170.1-179.2166.9-78.40110.9D262 L275 A326 H327 A332 Q334 I345 Y347D262-K330 IonicContact OD1-NZ 3.75Å; D262-K330 PolarHBondContact OD1-NZ 2.91Å; L275-K330 HydrophobicContact CD1-CB 4.45Å; L275-K330 HydrophobicContact CD2-CB 4.29Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 PolarHBondContact O-N 3.38Å; H327-K330 PolarHBondContact O-N 2.8Å; K330-A332 PolarHBondContact O-N 3.17Å; K330-Q334 VanDerWaalsContact O-CB 3.31Å; K330-Q334 WeakPolarHBondContact O-CB 3.46Å; K330-Q334 PolarHBondContact O-N 2.85Å; K330-I345 HydrophobicContact CB-CG2 4.07Å; K330-I345 HydrophobicContact CG-CG2 4.15Å; K330-Y347 HydrophobicContact CD-CD2 4.35Å; K330-Y347 HydrophobicContact CD-CE1 3.9Å; K330-Y347 HydrophobicContact CD-CE2 3.68Å; K330-Y347 VanDerWaalsContact CD-CZ 3.44Å
331V86.7Confident83.9Confident71 Ų7149.4 Ų49.443%0.4328%0.277SS..Hα-helixtrans-62.7-42.2-173.6176.20000111.7H327H327-V331 WeakPolarHBondContact NE2-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.47Å
332A86.4Confident84Confident37 Ų3749 Ų4931%0.30628%0.28SS..Hα-helixtrans-82.6-16.2-173.300000115.3Y296 R328 K330 R336Y296-A332 HydrophobicContact CD1-CB 4.07Å; Y296-A332 HydrophobicContact CE1-CB 3.28Å; Y296-A332 HydrophobicContact CE2-CB 4.38Å; Y296-A332 VanDerWaalsContact CZ-CB 3.45Å; Y296-A332 WeakPolarHBondContact OH-CB 3.44Å; R328-A332 VanDerWaalsContact O-CB 3.3Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.87Å; K330-A332 PolarHBondContact O-N 3.17Å; A332-R336 PolarHBondContact O-NE 2.95Å
333M86.1Confident84.4Confident8 Ų848.2 Ų48.24%0.03928%0.276CS..Hα-helixtrans-113.6-6.2179.4-65.6-72.6-67.700114F293 Y296 A329 G335 R336 I338 I343 I345F293-M333 HydrophobicContact CD1-CG 4.22Å; F293-M333 HydrophobicContact CD2-CE 4.43Å; F293-M333 HydrophobicContact CE1-CB 3.75Å; F293-M333 HydrophobicContact CE1-CG 3.82Å; F293-M333 HydrophobicContact CE2-CE 4.03Å; F293-M333 HydrophobicContact CZ-CB 3.85Å; F293-M333 HydrophobicContact CZ-CE 4.16Å; F293-M333 HydrophobicContact CZ-CG 4.13Å; Y296-M333 HydrophobicContact CD2-CG 4.1Å; Y296-M333 HydrophobicContact CE2-CG 3.33Å; Y296-M333 HydrophobicContact CE2-SD 3.73Å; A329-M333 VanDerWaalsContact O-CB 3.31Å; A329-M333 WeakPolarHBondContact O-CB 3.36Å; A329-M333 PolarHBondContact O-N 2.99Å; A329-M333 VanDerWaalsContact O-N 3.13Å; M333-G335 PolarHBondContact O-N 2.86Å; M333-R336 WeakPolarHBondContact O-CB 3.36Å; M333-R336 PolarHBondContact O-N 3.49Å; M333-R336 VanDerWaalsContact O-N 3.08Å; M333-I338 HydrophobicContact CE-CD1 3.83Å; M333-I338 HydrophobicContact CE-CG1 4.47Å; M333-I343 HydrophobicContact CB-CD1 4.31Å; M333-I343 HydrophobicContact CE-CD1 4.33Å; M333-I343 WeakPolarHBondContact O-CG1 3.44Å; M333-I345 HydrophobicContact CB-CD1 3.53Å
334Q86.7Confident84.5Confident79 Ų7954.9 Ų54.937%0.36931%0.305SS..THydrogen-bonded Turntrans-55.1127.8176.8-17669.4-56.700110.9K330 R336 I345K330-Q334 VanDerWaalsContact O-CB 3.31Å; K330-Q334 WeakPolarHBondContact O-CB 3.46Å; K330-Q334 PolarHBondContact O-N 2.85Å; Q334-R336 PolarHBondContact O-N 2.97Å; Q334-R336 VanDerWaalsContact O-N 3.17Å; Q334-I345 PolarHBondContact NE2-O 2.89Å; Q334-I345 PolarHBondContact OE1-O 3.37Å
335G81.6Confident84.8Confident43 Ų4353.4 Ų53.444%0.44330%0.297SS..THydrogen-bonded Turntrans71.5-1.8-18000000116M333 I343M333-G335 PolarHBondContact O-N 2.86Å; G335-I343 VanDerWaalsContact CA-O 3.27Å; G335-I343 WeakPolarHBondContact CA-O 3.4Å; G335-I343 PolarHBondContact N-O 2.84Å
336R84.9Confident84.7Confident151 Ų15153.3 Ų53.357%0.5730%0.303SS*.  trans-67.7149.2177-77.6-164177.4-98.4-0.7111.9A332 M333 Q334 P342 I343A332-R336 PolarHBondContact O-NE 2.95Å; M333-R336 WeakPolarHBondContact O-CB 3.36Å; M333-R336 PolarHBondContact O-N 3.49Å; M333-R336 VanDerWaalsContact O-N 3.08Å; Q334-R336 PolarHBondContact O-N 2.97Å; Q334-R336 VanDerWaalsContact O-N 3.17Å; R336-P342 WeakPolarHBondContact O-CA 3.48Å; R336-I343 WeakPolarHBondContact O-CG1 3.36Å; R336-I343 PolarHBondContact O-N 3.29Å
337L83.1Confident84.6Confident126 Ų12655 Ų5566%0.6631%0.31SS*.EExtended strand (participates in β ladder)trans-77.1123.1177.6-59.2170.2000110.5N341 P342L337-N341 WeakPolarHBondContact CA-O 3.43Å; L337-P342 HydrophobicContact CD2-CB 3.99Å; L337-P342 HydrophobicContact CD2-CG 4.45Å
338I80.4Confident84.4Confident19 Ų1953.4 Ų53.410%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-129.7130.1165.5-56.4-175.2000107.5V284 L289 F293 M333 G340 N341 I343V284-I338 HydrophobicContact CG1-CG2 3.81Å; V284-I338 HydrophobicContact CG2-CG2 3.96Å; L289-I338 HydrophobicContact CD2-CD1 4.11Å; F293-I338 HydrophobicContact CE2-CD1 4.07Å; M333-I338 HydrophobicContact CE-CD1 3.83Å; M333-I338 HydrophobicContact CE-CG1 4.47Å; I338-G340 PolarHBondContact O-N 2.99Å; I338-N341 PolarHBondContact N-O 3.08Å; I338-N341 PolarHBondContact O-N 2.9Å; I338-N341 VanDerWaalsContact O-N 3.16Å; I338-I343 HydrophobicContact CB-CG2 3.79Å; I338-I343 HydrophobicContact CD1-CD1 3.69Å; I338-I343 HydrophobicContact CD1-CG2 4.1Å; I338-I343 HydrophobicContact CG1-CD1 4.18Å; I338-I343 HydrophobicContact CG1-CG2 3.85Å
339G69.9Low84Confident42 Ų4255.6 Ų55.643%0.43332%0.317SS..THydrogen-bonded Turntrans5926.8-172.900000113.6D281 N341D281-G339 WeakPolarHBondContact CB-O 3.24Å; G339-N341 VanDerWaalsContact C-N 3.27Å; G339-N341 PolarHBondContact O-N 3.03Å
340G76.9Confident83.2Confident63 Ų6356.4 Ų56.465%0.64932%0.324SS*.THydrogen-bonded Turntrans80.8-11.5-176.200000115.8I338I338-G340 PolarHBondContact O-N 2.99Å
341N82.9Confident82.9Confident56 Ų5661 Ų6130%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-99.1139.6177.8-78.7-46.5000112N279 D281 L337 I338 G339 I343N279-N341 WeakPolarHBondContact O-CB 3.24Å; D281-N341 WeakPolarHBondContact CA-ND2 3.12Å; D281-N341 WeakPolarHBondContact CB-ND2 3.11Å; L337-N341 WeakPolarHBondContact CA-O 3.43Å; I338-N341 PolarHBondContact N-O 3.08Å; I338-N341 PolarHBondContact O-N 2.9Å; I338-N341 VanDerWaalsContact O-N 3.16Å; G339-N341 VanDerWaalsContact C-N 3.27Å; G339-N341 PolarHBondContact O-N 3.03Å; N341-I343 PolarHBondContact O-N 2.75Å
342P85.3Confident82.7Confident58 Ų5860.4 Ų60.438%0.37735%0.347SS..EExtended strand (participates in β ladder)trans-74.9116.8175.528.7-32.5000110.1N279 R336 L337N279-P342 PolarHBondContact ND2-O 2.9Å; R336-P342 WeakPolarHBondContact O-CA 3.48Å; L337-P342 HydrophobicContact CD2-CB 3.99Å; L337-P342 HydrophobicContact CD2-CG 4.45Å
343I89.4Confident82.8Confident0 Ų060.1 Ų60.10%034%0.342CS..PPolyproline II helixtrans-75.7147.1-173.876-175.2000111.5I277 L280 F293 M333 G335 R336 I338 N341 I345I277-I343 HydrophobicContact CG2-CB 3.89Å; I277-I343 HydrophobicContact CG2-CD1 4.1Å; I277-I343 HydrophobicContact CG2-CG1 4.32Å; I277-I343 HydrophobicContact CG2-CG2 4.41Å; L280-I343 HydrophobicContact CD2-CB 4.46Å; L280-I343 HydrophobicContact CD2-CG2 3.64Å; F293-I343 HydrophobicContact CE2-CD1 4.14Å; F293-I343 HydrophobicContact CZ-CD1 3.81Å; M333-I343 HydrophobicContact CB-CD1 4.31Å; M333-I343 HydrophobicContact CE-CD1 4.33Å; M333-I343 WeakPolarHBondContact O-CG1 3.44Å; G335-I343 VanDerWaalsContact CA-O 3.27Å; G335-I343 WeakPolarHBondContact CA-O 3.4Å; G335-I343 PolarHBondContact N-O 2.84Å; R336-I343 WeakPolarHBondContact O-CG1 3.36Å; R336-I343 PolarHBondContact O-N 3.29Å; I338-I343 HydrophobicContact CB-CG2 3.79Å; I338-I343 HydrophobicContact CD1-CD1 3.69Å; I338-I343 HydrophobicContact CD1-CG2 4.1Å; I338-I343 HydrophobicContact CG1-CD1 4.18Å; I338-I343 HydrophobicContact CG1-CG2 3.85Å; N341-I343 PolarHBondContact O-N 2.75Å; I343-I345 HydrophobicContact CD1-CD1 4.11Å; I343-I345 HydrophobicContact CD1-CG1 4.19Å; I343-I345 HydrophobicContact CG1-CD1 4.46Å; I343-I345 HydrophobicContact CG1-CG1 4.15Å
344K87.5Confident82.9Confident141 Ų14161.5 Ų61.561%0.61335%0.35SS*.EExtended strand (participates in β ladder)trans-115.9106.1176.8-67.6-174.7178.8-178.80109.7G278 N279G278-K344 PolarHBondContact N-O 2.86Å; G278-K344 PolarHBondContact O-N 3.39Å; N279-K344 HydrophobicContact CB-CG 4.39Å
345I89Confident83Confident8 Ų859.1 Ų59.14%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-91.6129.9178.9-48.6178.8000109.3L275 F276 F293 K330 M333 Q334 I343L275-I345 HydrophobicContact CB-CG2 4.2Å; L275-I345 HydrophobicContact CD1-CG2 3.96Å; L275-I345 HydrophobicContact CD2-CG2 4.24Å; L275-I345 HydrophobicContact CG-CG2 4.37Å; F276-I345 WeakPolarHBondContact O-CA 3.43Å; F293-I345 HydrophobicContact CE1-CD1 3.78Å; F293-I345 HydrophobicContact CZ-CD1 3.73Å; K330-I345 HydrophobicContact CB-CG2 4.07Å; K330-I345 HydrophobicContact CG-CG2 4.15Å; M333-I345 HydrophobicContact CB-CD1 3.53Å; Q334-I345 PolarHBondContact NE2-O 2.89Å; Q334-I345 PolarHBondContact OE1-O 3.37Å; I343-I345 HydrophobicContact CD1-CD1 4.11Å; I343-I345 HydrophobicContact CD1-CG1 4.19Å; I343-I345 HydrophobicContact CG1-CD1 4.46Å; I343-I345 HydrophobicContact CG1-CG1 4.15Å
346G86.7Confident83.4Confident25 Ų2557.1 Ų57.126%0.25832%0.317SS..EExtended strand (participates in β ladder)trans-133.9172.9164.300000109.5F276F276-G346 PolarHBondContact N-O 3.36Å; F276-G346 PolarHBondContact O-N 3.28Å; F276-G346 VanDerWaalsContact O-O 3.11Å
347Y85.8Confident83.6Confident36 Ų3650.2 Ų50.214%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-78.7134.9172.7-60.3-71.1000110.9D268 R270 A271 L275 H327 K330D268-Y347 VanDerWaalsContact OD2-CD2 3.28Å; D268-Y347 WeakPolarHBondContact OD2-CD2 3.23Å; D268-Y347 WeakPolarHBondContact OD2-CE2 3.23Å; R270-Y347 WeakPolarHBondContact O-CB 3.36Å; A271-Y347 HydrophobicContact CB-CD1 4.18Å; A271-Y347 HydrophobicContact CB-CD2 3.95Å; A271-Y347 HydrophobicContact CB-CE1 3.73Å; A271-Y347 HydrophobicContact CB-CE2 3.46Å; A271-Y347 VanDerWaalsContact CB-CE2 3.46Å; A271-Y347 HydrophobicContact CB-CG 4.26Å; L275-Y347 HydrophobicContact CD2-CD1 3.72Å; L275-Y347 HydrophobicContact CD2-CE1 3.97Å; H327-Y347 PolarHBondContact CD2-OH 3.43Å; K330-Y347 HydrophobicContact CD-CD2 4.35Å; K330-Y347 HydrophobicContact CD-CE1 3.9Å; K330-Y347 HydrophobicContact CD-CE2 3.68Å; K330-Y347 VanDerWaalsContact CD-CZ 3.44Å
348G80.6Confident83.9Confident8 Ų844.2 Ų44.28%0.08226%0.26CS..PPolyproline II helixtrans-82.5166.417300000111.4T272 N274 A350T272-G348 PolarHBondContact OG1-O 2.85Å; N274-G348 WeakPolarHBondContact O-CA 3.38Å; N274-G348 PolarHBondContact O-N 2.87Å; G348-A350 PolarHBondContact O-N 2.91Å
349K78.6Confident84Confident179 Ų17943.3 Ų43.378%0.77826%0.255SS*.PPolyproline II helixtrans-65.8122.7171.2-176.6169.1-178.6175.10109.1N274N274-K349 PolarHBondContact ND2-O 3.32Å
350A72.5Confident84.5Confident17 Ų1741.7 Ų41.714%0.1424%0.239CC..PPolyproline II helixtrans-64.8144.616700000110.2T272 G348 F425T272-A350 HydrophobicContact CG2-CB 3.67Å; G348-A350 PolarHBondContact O-N 2.91Å; A350-F425 HydrophobicContact CB-CD2 3.92Å
351N80.4Confident84.6Confident114 Ų11439 Ų3961%0.6121%0.209SC*.PPolyproline II helixtrans-90.1119.2168.9-65.4-43.3000107F425N351-F425 WeakPolarHBondContact O-CB 3.5Å
352P82.2Confident83.9Confident59 Ų5936.4 Ų36.438%0.38320%0.196SC..PPolyproline II helixtrans-66.2138.6-179.527.7-34.2000110.8L399 Q403 F425P352-L399 HydrophobicContact CB-CD1 4.25Å; P352-Q403 HydrophobicContact CB-CG 3.91Å; P352-F425 HydrophobicContact CB-CD1 4.33Å; P352-F425 HydrophobicContact CB-CE1 3.96Å; P352-F425 HydrophobicContact CB-CE2 4.24Å; P352-F425 HydrophobicContact CB-CZ 3.91Å
353T87.5Confident83.1Confident31 Ų3139 Ų3919%0.1921%0.213CC..  trans-137.9164.7-179.758.50000109.8R355 A402 F425 A426T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 PolarHBondContact OG1-O 3.36Å; T353-A402 VanDerWaalsContact O-CB 3.3Å; T353-A402 WeakPolarHBondContact O-CB 3.4Å; T353-F425 WeakPolarHBondContact O-CD1 3.12Å; T353-F425 WeakPolarHBondContact OG1-CB 3.38Å; T353-A426 WeakPolarHBondContact CB-O 3.3Å; T353-A426 WeakPolarHBondContact CG2-O 3.33Å; T353-A426 PolarHBondContact OG1-O 3.05Å
354T88.3Confident81.8Confident36 Ų3642.6 Ų42.622%0.22125%0.25CC..SBendtrans-78.7-11.5175.945.40000113.8Q395 Y396 L399T354-Q395 WeakPolarHBondContact O-CA 3.35Å; T354-Y396 PolarHBondContact O-N 3.14Å; T354-L399 HydrophobicContact CG2-CB 4.19Å; T354-L399 HydrophobicContact CG2-CD1 4.32Å
355R89.3Confident81.1Confident30 Ų3036.6 Ų36.611%0.11322%0.224CC..EExtended strand (participates in β ladder)trans-107.4121.5177.3-171.3179.1177.1146.65.3110T353 D384 I394 Q395 A426 V428T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 PolarHBondContact OG1-O 3.36Å; R355-D384 IonicContact CZ-OD2 2.71Å; R355-D384 IonicContact NH1-OD2 3.16Å; R355-D384 IonicContact NH2-OD2 3.54Å; R355-D384 PolarHBondContact NH2-OD2 3.41Å; R355-I394 CarbonylContact C-O 3.58Å; R355-I394 WeakPolarHBondContact CA-O 3.43Å; R355-Q395 HydrophobicContact CB-CB 4.44Å; R355-Q395 HydrophobicContact CB-CG 4.39Å; R355-Q395 HydrophobicContact CG-CB 4.35Å; R355-A426 HydrophobicContact CB-CB 4.47Å; R355-A426 HydrophobicContact CG-CB 4.13Å; R355-A426 WeakPolarHBondContact O-CA 3.27Å; R355-A426 WeakPolarHBondContact O-CB 3.35Å; R355-A426 PolarHBondContact O-N 2.61Å; R355-V428 HydrophobicContact CB-CG2 3.89Å
356L89.6Confident80.4Confident0 Ų038.8 Ų38.80%024%0.241CC..EExtended strand (participates in β ladder)trans-97.8149.7173.8-55-174000110.5Y393 I394 Y396 A402 A405 C406 V423 D424 F425L356-Y393 CarbonylContact O-C 3.56Å; L356-Y393 VanDerWaalsContact O-CA 3.26Å; L356-Y393 WeakPolarHBondContact O-CA 3.44Å; L356-I394 PolarHBondContact N-O 3.23Å; L356-I394 PolarHBondContact O-N 2.9Å; L356-Y396 HydrophobicContact CD1-CD2 4.42Å; L356-Y396 HydrophobicContact CD1-CE2 3.91Å; L356-Y396 HydrophobicContact CG-CE2 4.45Å; L356-A402 HydrophobicContact CD2-CB 4.14Å; L356-A402 HydrophobicContact CG-CB 4.35Å; L356-A405 HydrophobicContact CD1-CB 3.79Å; L356-C406 HydrophobicContact CD1-CB 4.03Å; L356-C406 HydrophobicContact CD2-CB 3.83Å; L356-V423 HydrophobicContact CB-CG1 4.21Å; L356-V423 HydrophobicContact CD1-CG1 3.87Å; L356-D424 WeakPolarHBondContact CA-O 3.48Å; L356-F425 HydrophobicContact CD2-CD1 3.46Å; L356-F425 VanDerWaalsContact CD2-CD1 3.46Å; L356-F425 HydrophobicContact CD2-CE1 3.62Å; L356-F425 HydrophobicContact CD2-CG 4.29Å
357W89.5Confident80.2Confident6 Ų641 Ų412%0.02325%0.246CC..EExtended strand (participates in β ladder)trans-102133.5159.4173.582.5000108.2N322 L323 D324 F391 Y393 R422 V423 D424 A426N322-W357 HydrophobicContact CB-CZ2 4.23Å; N322-W357 PolarHBondContact OD1-NE1 3.21Å; L323-W357 HydrophobicContact CB-CE3 4.14Å; L323-W357 HydrophobicContact CB-CZ3 3.76Å; L323-W357 HydrophobicContact CD2-CZ3 4.12Å; L323-W357 HydrophobicContact CG-CZ3 4.44Å; D324-W357 HydrophobicContact CB-CH2 4.16Å; D324-W357 HydrophobicContact CB-CZ2 4.46Å; D324-W357 VanDerWaalsContact CG-CH2 3.49Å; D324-W357 WeakPolarHBondContact OD1-CH2 3.49Å; W357-F391 HydrophobicContact CZ2-CB 4.06Å; W357-F391 AromaticContact NE1-CD2 3.62Å; W357-F391 AromaticContact NE1-CG 3.62Å; W357-Y393 HydrophobicContact CB-CD1 3.95Å; W357-Y393 HydrophobicContact CB-CE1 3.83Å; W357-Y393 AromaticContact CD1-CE1 3.43Å; W357-Y393 VanDerWaalsContact CD1-CE1 3.43Å; W357-Y393 AromaticContact CD1-CZ 3.61Å; W357-Y393 HydrophobicContact CG-CD1 4.41Å; W357-Y393 AromaticContact CG-CE1 4Å; W357-Y393 HydrophobicContact CG-CE1 4Å; W357-R422 HydrophobicContact CH2-CB 4.4Å; W357-R422 HydrophobicContact CZ3-CB 4.01Å; W357-R422 VanDerWaalsContact CZ3-O 3.25Å; W357-R422 WeakPolarHBondContact CZ3-O 3.48Å; W357-V423 WeakPolarHBondContact O-CA 3.44Å; W357-D424 PolarHBondContact N-O 2.88Å; W357-D424 PolarHBondContact O-N 3.15Å; W357-A426 HydrophobicContact CB-CB 4.15Å
358V88.8Confident80.1Confident0 Ų043.8 Ų43.80%027%0.267CS..EExtended strand (participates in β ladder)trans-124.791.4-176.9179.60000107.9L361 L370 F374 F391 A392 I394 L421 V423V358-L361 HydrophobicContact CG1-CD2 4.3Å; V358-L370 HydrophobicContact CG1-CD2 4.18Å; V358-F374 HydrophobicContact CB-CZ 4.34Å; V358-F374 HydrophobicContact CG1-CE2 4.18Å; V358-F374 HydrophobicContact CG1-CZ 3.76Å; V358-F374 HydrophobicContact CG2-CE1 3.71Å; V358-F374 HydrophobicContact CG2-CE2 4.44Å; V358-F374 HydrophobicContact CG2-CZ 3.56Å; V358-F391 CarbonylContact O-C 3.46Å; V358-F391 WeakPolarHBondContact O-CA 3.4Å; V358-A392 PolarHBondContact N-O 3.24Å; V358-A392 PolarHBondContact O-N 3.3Å; V358-I394 HydrophobicContact CG2-CD1 4.02Å; V358-I394 HydrophobicContact CG2-CG1 4.37Å; V358-L421 HydrophobicContact CG1-CD1 4.34Å; V358-L421 HydrophobicContact CG1-CD2 3.94Å; V358-V423 HydrophobicContact CG1-CG2 4.27Å; V358-V423 HydrophobicContact CG2-CG1 4.15Å; V358-V423 HydrophobicContact CG2-CG2 4.23Å
359G83.3Confident80.2Confident0 Ų045 Ų450%028%0.276CS..EExtended strand (participates in β ladder)trans-88.2-179.6171.600000113.2L361 N390 L421 R422G359-L361 VanDerWaalsContact C-N 3.33Å; G359-N390 CarbonylContact C-O 3.48Å; G359-L421 WeakPolarHBondContact O-CA 3.35Å; G359-R422 PolarHBondContact N-O 3.28Å; G359-R422 PolarHBondContact O-N 3.03Å
360G79.5Confident80.5Confident9 Ų936.4 Ų36.49%0.09324%0.239CC..  trans78.715.618000000114G362 N390G360-G362 PolarHBondContact O-N 3.31Å; G360-N390 PolarHBondContact N-O 2.92Å; G360-N390 VanDerWaalsContact N-O 3.13Å
361L80.9Confident81.1Confident5 Ų537.1 Ų37.13%0.02625%0.245CC..  trans-70.7126.3174.8-58173.9000109.8V358 G359 N365 L370 Y385 N390 A392 L414 L421V358-L361 HydrophobicContact CG1-CD2 4.3Å; G359-L361 VanDerWaalsContact C-N 3.33Å; L361-N365 HydrophobicContact CB-CB 4.38Å; L361-N365 HydrophobicContact CD2-CB 4.28Å; L361-L370 HydrophobicContact CD1-CD1 3.88Å; L361-L370 HydrophobicContact CD2-CD1 4.19Å; L361-L370 HydrophobicContact CD2-CD2 3.95Å; L361-L370 HydrophobicContact CD2-CG 4.29Å; L361-Y385 HydrophobicContact CD1-CD2 3.8Å; L361-Y385 HydrophobicContact CD1-CE2 3.49Å; L361-Y385 VanDerWaalsContact CD1-CE2 3.49Å; L361-N390 PolarHBondContact N-O 3.09Å; L361-N390 PolarHBondContact O-OD1 3.41Å; L361-A392 HydrophobicContact CD1-CB 3.93Å; L361-L414 HydrophobicContact CD2-CD2 4.19Å; L361-L421 HydrophobicContact CD2-CD2 3.44Å; L361-L421 VanDerWaalsContact CD2-CD2 3.44Å; L361-L421 HydrophobicContact CG-CD2 4.44Å
362G67.9Low81.4Confident3 Ų340.8 Ų40.83%0.03125%0.25CC..  trans-74.5156.7169.100000111.2G360 G364 N365G360-G362 PolarHBondContact O-N 3.31Å; G362-G364 PolarHBondContact O-N 3.07Å; G362-N365 PolarHBondContact N-ND2 2.69Å; G362-N365 WeakPolarHBondContact O-CB 3.28Å; G362-N365 PolarHBondContact O-N 2.84Å
363P66.8Low81.5Confident113 Ų11340.6 Ų40.673%0.73424%0.244SC*.THydrogen-bonded Turntrans-67.54.5-175.728.6-36.8000115.3
364G62.6Low81.5Confident74 Ų7439.1 Ų39.176%0.76324%0.235SC*.THydrogen-bonded Turntrans-107.7-2.2170.900000114.7G362 S366G362-G364 PolarHBondContact O-N 3.07Å; G364-S366 PolarHBondContact O-N 3.41Å
365N72.4Confident81.5Confident15 Ų1542.3 Ų42.38%0.0825%0.25CS..  trans-75.7123.9-179.2-73.6-12.8000110.6L361 G362 L414 G415L361-N365 HydrophobicContact CB-CB 4.38Å; L361-N365 HydrophobicContact CD2-CB 4.28Å; G362-N365 PolarHBondContact N-ND2 2.69Å; G362-N365 WeakPolarHBondContact O-CB 3.28Å; G362-N365 PolarHBondContact O-N 2.84Å; N365-L414 PolarHBondContact ND2-O 3.11Å; N365-L414 PolarHBondContact OD1-O 2.93Å; N365-G415 WeakPolarHBondContact OD1-CA 3.19Å
366S75.4Confident81.2Confident55 Ų5549 Ų4939%0.38528%0.276SS..  trans-94.5154.118068.30000112.1G364 T368 A369 L370G364-S366 PolarHBondContact O-N 3.41Å; S366-T368 PolarHBondContact O-N 3.23Å; S366-A369 PolarHBondContact O-N 2.85Å; S366-A369 PolarHBondContact OG-N 3.45Å; S366-A369 VanDerWaalsContact OG-N 3.11Å; S366-L370 PolarHBondContact O-N 3.44Å
367L82.4Confident81Confident71 Ų7150.7 Ų50.737%0.37228%0.283SS..Hα-helixtrans-50.7-37.9168.1175.460.9000111.5L370 A371 I383 Y385L367-L370 PolarHBondContact O-N 2.89Å; L367-A371 WeakPolarHBondContact O-CB 3.38Å; L367-A371 PolarHBondContact O-N 3.27Å; L367-I383 HydrophobicContact CD1-CB 3.82Å; L367-I383 HydrophobicContact CD1-CD1 4.18Å; L367-I383 HydrophobicContact CD1-CG2 3.47Å; L367-I383 VanDerWaalsContact CD1-CG2 3.47Å; L367-Y385 HydrophobicContact CB-CD1 4.22Å
368T83.8Confident80.8Confident95 Ų9551.8 Ų51.858%0.58330%0.296SS*.Hα-helixtrans-67-36.8178.4-42.80000112.8S366 R372S366-T368 PolarHBondContact O-N 3.23Å; T368-R372 WeakPolarHBondContact O-CB 3.37Å; T368-R372 VanDerWaalsContact O-CG 3.25Å; T368-R372 WeakPolarHBondContact O-CG 3.44Å; T368-R372 PolarHBondContact O-N 3.49Å; T368-R372 VanDerWaalsContact O-N 3.08Å
369A83.4Confident80.8Confident32 Ų3255.2 Ų55.226%0.26432%0.32SS..Hα-helixtrans-70.1-42.5174.800000111.4S366 R372 E373S366-A369 PolarHBondContact O-N 2.85Å; S366-A369 PolarHBondContact OG-N 3.45Å; S366-A369 VanDerWaalsContact OG-N 3.11Å; A369-R372 PolarHBondContact O-N 3.31Å; A369-E373 PolarHBondContact O-N 3.04Å
370L84.8Confident81.2Confident0 Ų057.2 Ų57.20%033%0.33CS..Hα-helixtrans-57.3-54.2172.5-86.1158.1000111.6V358 L361 S366 L367 R372 E373 F374 Y385 A392 I394 L414V358-L370 HydrophobicContact CG1-CD2 4.18Å; L361-L370 HydrophobicContact CD1-CD1 3.88Å; L361-L370 HydrophobicContact CD2-CD1 4.19Å; L361-L370 HydrophobicContact CD2-CD2 3.95Å; L361-L370 HydrophobicContact CD2-CG 4.29Å; S366-L370 PolarHBondContact O-N 3.44Å; L367-L370 PolarHBondContact O-N 2.89Å; L370-R372 PolarHBondContact O-N 3.39Å; L370-E373 PolarHBondContact O-N 3.41Å; L370-F374 HydrophobicContact CD2-CD2 4.07Å; L370-F374 HydrophobicContact CD2-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CB 3.4Å; L370-F374 WeakPolarHBondContact O-CD2 3.43Å; L370-F374 PolarHBondContact O-N 2.86Å; L370-Y385 HydrophobicContact CD1-CD1 4.11Å; L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 HydrophobicContact CD1-CG 3.92Å; L370-A392 HydrophobicContact CD1-CB 4.19Å; L370-I394 HydrophobicContact CD2-CD1 4.22Å; L370-L414 HydrophobicContact CD2-CD2 4.31Å; L370-L414 HydrophobicContact CG-CD2 4.3Å
371A85.1Confident81.6Confident32 Ų3264.2 Ų64.226%0.26435%0.354SS..Hα-helixtrans-55.3-50.1178.600000111.4L367 E373 F374 D375 I383L367-A371 WeakPolarHBondContact O-CB 3.38Å; L367-A371 PolarHBondContact O-N 3.27Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.85Å; A371-F374 PolarHBondContact O-N 3.27Å; A371-D375 WeakPolarHBondContact O-CB 3.43Å; A371-D375 PolarHBondContact O-N 3.32Å; A371-I383 HydrophobicContact CB-CD1 3.89Å
372R85.3Confident81.8Confident191 Ų19167.3 Ų67.372%0.72137%0.37SS*.Hα-helixtrans-63-31.6-176.3-76.8-177.767.8-178.51.5115.1T368 A369 L370 R376T368-R372 WeakPolarHBondContact O-CB 3.37Å; T368-R372 VanDerWaalsContact O-CG 3.25Å; T368-R372 WeakPolarHBondContact O-CG 3.44Å; T368-R372 PolarHBondContact O-N 3.49Å; T368-R372 VanDerWaalsContact O-N 3.08Å; A369-R372 PolarHBondContact O-N 3.31Å; L370-R372 PolarHBondContact O-N 3.39Å; R372-R376 WeakPolarHBondContact O-CG 3.36Å
373E85.6Confident82.8Confident54 Ų5468.6 Ų68.625%0.25238%0.376SS..Hα-helixtrans-87-36.8176-66.1-65.217700112.4A369 L370 A371 R376 F377 M409 F412 L414A369-E373 PolarHBondContact O-N 3.04Å; L370-E373 PolarHBondContact O-N 3.41Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.85Å; E373-R376 WeakPolarHBondContact O-CB 3.46Å; E373-R376 WeakPolarHBondContact O-CD 3.41Å; E373-R376 WeakPolarHBondContact O-CG 3.48Å; E373-R376 WeakPolarHBondContact OE2-CD 3.38Å; E373-R376 IonicContact OE2-CZ 2.68Å; E373-R376 IonicContact OE2-NH1 2.66Å; E373-R376 PolarHBondContact OE2-NH1 3.28Å; E373-F377 VanDerWaalsContact O-CE2 3.24Å; E373-F377 WeakPolarHBondContact O-CE2 3.47Å; E373-M409 HydrophobicContact CB-CE 3.54Å; E373-M409 HydrophobicContact CG-CE 4.4Å; E373-F412 HydrophobicContact CG-CE1 4.44Å; E373-L414 HydrophobicContact CG-CD1 4.26Å
374F86.6Confident83.7Confident0 Ų066.3 Ų66.30%036%0.358CS..Hα-helixtrans-79.3-26-177.5-80-98.6000113.6V358 L370 A371 R376 F377 I380 I394 Y396 A405 M409 L421 V423V358-F374 HydrophobicContact CB-CZ 4.34Å; V358-F374 HydrophobicContact CG1-CE2 4.18Å; V358-F374 HydrophobicContact CG1-CZ 3.76Å; V358-F374 HydrophobicContact CG2-CE1 3.71Å; V358-F374 HydrophobicContact CG2-CE2 4.44Å; V358-F374 HydrophobicContact CG2-CZ 3.56Å; L370-F374 HydrophobicContact CD2-CD2 4.07Å; L370-F374 HydrophobicContact CD2-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CB 3.4Å; L370-F374 WeakPolarHBondContact O-CD2 3.43Å; L370-F374 PolarHBondContact O-N 2.86Å; A371-F374 PolarHBondContact O-N 3.27Å; F374-R376 PolarHBondContact O-N 3.22Å; F374-F377 WeakPolarHBondContact O-CD2 3.31Å; F374-F377 PolarHBondContact O-N 3.33Å; F374-I380 HydrophobicContact CB-CD1 3.85Å; F374-I394 HydrophobicContact CB-CD1 3.87Å; F374-I394 HydrophobicContact CD1-CD1 3.48Å; F374-I394 VanDerWaalsContact CD1-CD1 3.48Å; F374-I394 HydrophobicContact CD2-CD1 3.7Å; F374-I394 HydrophobicContact CE1-CD1 3.88Å; F374-I394 HydrophobicContact CE2-CD1 4.06Å; F374-I394 HydrophobicContact CG-CD1 3.39Å; F374-I394 HydrophobicContact CZ-CD1 4.15Å; F374-Y396 WeakPolarHBondContact CB-OH 3.44Å; F374-Y396 WeakPolarHBondContact CD1-OH 3.5Å; F374-Y396 PolarHBondContact O-OH 2.83Å; F374-A405 HydrophobicContact CD1-CB 4.23Å; F374-M409 HydrophobicContact CD1-CG 4.17Å; F374-M409 HydrophobicContact CD2-CE 3.76Å; F374-M409 HydrophobicContact CE1-CB 3.82Å; F374-M409 HydrophobicContact CE1-CG 3.73Å; F374-M409 HydrophobicContact CE2-CB 4.35Å; F374-M409 HydrophobicContact CE2-CE 3.41Å; F374-M409 VanDerWaalsContact CE2-CE 3.41Å; F374-M409 HydrophobicContact CE2-CG 4.15Å; F374-M409 HydrophobicContact CZ-CB 3.6Å; F374-M409 HydrophobicContact CZ-CE 3.91Å; F374-M409 HydrophobicContact CZ-CG 3.73Å; F374-L421 HydrophobicContact CE2-CD1 3.91Å; F374-L421 HydrophobicContact CZ-CD1 4.09Å; F374-V423 HydrophobicContact CZ-CG2 4.3Å
375D88.1Confident84.8Confident103 Ų10364 Ų6455%0.55133%0.326SS*.G310 helixtrans-59.6-29.7175.9-178.664.6000112.3A371 F377 G378 I380A371-D375 WeakPolarHBondContact O-CB 3.43Å; A371-D375 PolarHBondContact O-N 3.32Å; D375-F377 PolarHBondContact O-N 2.83Å; D375-G378 PolarHBondContact O-N 2.87Å; D375-I380 HydrophobicContact CB-CD1 4.44Å
376R84.4Confident85.2Confident172 Ų17267.7 Ų67.765%0.64935%0.349SS*.G310 helixtrans-59.7-14.8179.6-56.6174.963.3-172.5-3.3114.7R372 E373 F374R372-R376 WeakPolarHBondContact O-CG 3.36Å; E373-R376 WeakPolarHBondContact O-CB 3.46Å; E373-R376 WeakPolarHBondContact O-CD 3.41Å; E373-R376 WeakPolarHBondContact O-CG 3.48Å; E373-R376 WeakPolarHBondContact OE2-CD 3.38Å; E373-R376 IonicContact OE2-CZ 2.68Å; E373-R376 IonicContact OE2-NH1 2.66Å; E373-R376 PolarHBondContact OE2-NH1 3.28Å; F374-R376 PolarHBondContact O-N 3.22Å
377F85.5Confident85Confident35 Ų3574 Ų7415%0.15437%0.37CS..G310 helixtrans-101.9-6.6179.7-51.6-69000113.4E373 F374 D375 Y396 A401 A404 A405 Q408 M409E373-F377 VanDerWaalsContact O-CE2 3.24Å; E373-F377 WeakPolarHBondContact O-CE2 3.47Å; F374-F377 WeakPolarHBondContact O-CD2 3.31Å; F374-F377 PolarHBondContact O-N 3.33Å; D375-F377 PolarHBondContact O-N 2.83Å; F377-Y396 HydrophobicContact CB-CE1 4.36Å; F377-A401 VanDerWaalsContact O-CA 3.31Å; F377-A401 WeakPolarHBondContact O-CA 3.3Å; F377-A401 WeakPolarHBondContact O-CB 3.46Å; F377-A404 HydrophobicContact CB-CB 4.47Å; F377-A404 HydrophobicContact CD1-CB 4.3Å; F377-A405 HydrophobicContact CB-CB 3.88Å; F377-A405 HydrophobicContact CD2-CB 3.62Å; F377-A405 HydrophobicContact CE2-CB 4.41Å; F377-A405 HydrophobicContact CG-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CG 4.27Å; F377-Q408 HydrophobicContact CZ-CB 3.98Å; F377-M409 HydrophobicContact CD2-CG 4.28Å; F377-M409 HydrophobicContact CE2-CG 3.4Å; F377-M409 VanDerWaalsContact CE2-CG 3.4Å; F377-M409 HydrophobicContact CE2-SD 3.58Å; F377-M409 VanDerWaalsContact CE2-SD 3.58Å; F377-M409 HydrophobicContact CZ-CG 3.86Å; F377-M409 HydrophobicContact CZ-SD 3.75Å
378G85.3Confident84.3Confident28 Ų2873.3 Ų73.329%0.28938%0.379SS..SBendtrans133.6172.517700000113.5D375 I380 Y396D375-G378 PolarHBondContact O-N 2.87Å; G378-I380 PolarHBondContact O-N 2.88Å; G378-Y396 WeakPolarHBondContact O-CD1 3.46Å; G378-Y396 VanDerWaalsContact O-CE1 3.23Å; G378-Y396 WeakPolarHBondContact O-CE1 3.27Å
379S88.6Confident84Confident73 Ų7371.7 Ų71.751%0.5137%0.367SS..  trans-52.7117.3-173.1-45.10000113.4E397S379-E397 PolarHBondContact O-N 2.91Å
380I90.3Very high83.9Confident41 Ų4174.7 Ų74.721%0.2138%0.379CS..EExtended strand (participates in β ladder)trans-86.3127.5172.3-55.7176.9000109F374 D375 G378 N382 I383 I394 Y396F374-I380 HydrophobicContact CB-CD1 3.85Å; D375-I380 HydrophobicContact CB-CD1 4.44Å; G378-I380 PolarHBondContact O-N 2.88Å; I380-N382 WeakPolarHBondContact CG2-O 3.33Å; I380-I383 HydrophobicContact CD1-CD1 3.98Å; I380-I383 HydrophobicContact CD1-CG1 4.47Å; I380-I383 HydrophobicContact CG2-CD1 4.21Å; I380-I383 HydrophobicContact CG2-CG1 3.64Å; I380-I394 HydrophobicContact CD1-CG2 4.22Å; I380-I394 HydrophobicContact CG1-CG2 4.35Å; I380-I394 HydrophobicContact CG2-CG2 3.92Å; I380-Y396 HydrophobicContact CG1-CD1 4.1Å; I380-Y396 HydrophobicContact CG1-CE1 3.72Å
381R87.7Confident83.9Confident157 Ų15778 Ų7859%0.59239%0.393SS*.EExtended strand (participates in β ladder)trans-85.9-36.1175-71.9-177.7168.3-175.9-0.9113.1Q395 E397R381-Q395 PolarHBondContact N-O 2.92Å; R381-E397 HydrophobicContact CG-CB 4.1Å; R381-E397 IonicContact CZ-OE1 2.71Å; R381-E397 IonicContact NE-OE1 2.81Å; R381-E397 PolarHBondContact NE-OE1 3.09Å; R381-E397 IonicContact NH2-OE1 2.74Å; R381-E397 PolarHBondContact NH2-OE1 3.07Å
382N86.3Confident84.1Confident69 Ų6976.4 Ų76.437%0.36938%0.38SS..EExtended strand (participates in β ladder)trans-156.8151.5177.3-174.227.8000111.8I380 D384 Q395I380-N382 WeakPolarHBondContact CG2-O 3.33Å; N382-D384 PolarHBondContact ND2-OD1 2.73Å; N382-Q395 PolarHBondContact N-O 2.91Å; N382-Q395 PolarHBondContact O-N 3.37Å
383I88.3Confident84.3Confident30 Ų3069.2 Ų69.215%0.15435%0.353CS..EExtended strand (participates in β ladder)trans-129.6103.8169.1-54.5178000109.1L367 A371 I380 Y385 Y393 I394L367-I383 HydrophobicContact CD1-CB 3.82Å; L367-I383 HydrophobicContact CD1-CD1 4.18Å; L367-I383 HydrophobicContact CD1-CG2 3.47Å; L367-I383 VanDerWaalsContact CD1-CG2 3.47Å; A371-I383 HydrophobicContact CB-CD1 3.89Å; I380-I383 HydrophobicContact CD1-CD1 3.98Å; I380-I383 HydrophobicContact CD1-CG1 4.47Å; I380-I383 HydrophobicContact CG2-CD1 4.21Å; I380-I383 HydrophobicContact CG2-CG1 3.64Å; I383-Y385 PolarHBondContact O-N 3.31Å; I383-Y385 VanDerWaalsContact O-N 3.16Å; I383-Y393 CarbonylContact C-O 3.57Å; I383-Y393 WeakPolarHBondContact CA-O 3.41Å; I383-I394 HydrophobicContact CG1-CG1 4.28Å; I383-I394 HydrophobicContact CG1-CG2 4.42Å; I383-I394 HydrophobicContact CG2-CG1 4.04Å
384D86.3Confident84.5Confident66 Ų6666.6 Ų66.635%0.35334%0.341SS..EExtended strand (participates in β ladder)trans-81.691.6170.1-54.7-48.6000108.6R355 N382 A392 Y393R355-D384 IonicContact CZ-OD2 2.71Å; R355-D384 IonicContact NH1-OD2 3.16Å; R355-D384 IonicContact NH2-OD2 3.54Å; R355-D384 PolarHBondContact NH2-OD2 3.41Å; N382-D384 PolarHBondContact ND2-OD1 2.73Å; D384-A392 WeakPolarHBondContact O-CA 3.33Å; D384-Y393 PolarHBondContact N-O 2.82Å; D384-Y393 PolarHBondContact O-N 2.66Å
385Y86Confident84.8Confident25 Ų2568.7 Ų68.710%0.09835%0.351CS..  trans-125.2117.6171-178.2-117.3000112.1L361 L367 L370 I383 G388 D389 F391 A392L361-Y385 HydrophobicContact CD1-CD2 3.8Å; L361-Y385 HydrophobicContact CD1-CE2 3.49Å; L361-Y385 VanDerWaalsContact CD1-CE2 3.49Å; L367-Y385 HydrophobicContact CB-CD1 4.22Å; L370-Y385 HydrophobicContact CD1-CD1 4.11Å; L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 HydrophobicContact CD1-CG 3.92Å; I383-Y385 PolarHBondContact O-N 3.31Å; I383-Y385 VanDerWaalsContact O-N 3.16Å; Y385-G388 PolarHBondContact OH-N 3.37Å; Y385-D389 HydrophobicContact CE2-CB 4.47Å; Y385-D389 VanDerWaalsContact CE2-O 3.29Å; Y385-D389 WeakPolarHBondContact CE2-O 3.45Å; Y385-D389 PolarHBondContact OH-O 3.41Å; Y385-D389 VanDerWaalsContact OH-O 3.05Å; Y385-F391 WeakPolarHBondContact CD2-O 3.23Å; Y385-A392 HydrophobicContact CD2-CB 3.73Å; Y385-A392 HydrophobicContact CG-CB 4.22Å
386V79.9Confident84.9Confident93 Ų9363.8 Ų63.856%0.56433%0.325SS*.  trans-89.3122.8172.4-176.90000108.6G388 D389V386-G388 PolarHBondContact O-N 2.89Å; V386-D389 HydrophobicContact CB-CB 4.37Å; V386-D389 PolarHBondContact O-N 2.9Å
387K71.6Confident85.2Confident188 Ų18860.3 Ų60.382%0.81732%0.316SS*.THydrogen-bonded Turntrans-60.5109.4-179.8-66.5178.5-177.1173.50110.3
388G67.1Low85.5Confident55 Ų5561.3 Ų61.357%0.56733%0.327SS*.THydrogen-bonded Turntrans113.7-13.2-177.500000114.6Y385 V386Y385-G388 PolarHBondContact OH-N 3.37Å; V386-G388 PolarHBondContact O-N 2.89Å
389D77.6Confident85.7Confident61 Ų6163.5 Ų63.533%0.32633%0.332SS..  trans-73.8148.5167.7-86.1-23.3000110.9Y385 V386 F391Y385-D389 HydrophobicContact CE2-CB 4.47Å; Y385-D389 VanDerWaalsContact CE2-O 3.29Å; Y385-D389 WeakPolarHBondContact CE2-O 3.45Å; Y385-D389 PolarHBondContact OH-O 3.41Å; Y385-D389 VanDerWaalsContact OH-O 3.05Å; V386-D389 HydrophobicContact CB-CB 4.37Å; V386-D389 PolarHBondContact O-N 2.9Å; D389-F391 HydrophobicContact CB-CD1 4.41Å; D389-F391 HydrophobicContact CB-CE1 4.25Å; D389-F391 PolarHBondContact O-N 3.24Å
390N81.6Confident85.8Confident96 Ų9665.6 Ų65.651%0.51334%0.337SS..SBendtrans-84.48.6176.5-60.8-38.3000112.7G359 G360 L361G359-N390 CarbonylContact C-O 3.48Å; G360-N390 PolarHBondContact N-O 2.92Å; G360-N390 VanDerWaalsContact N-O 3.13Å; L361-N390 PolarHBondContact N-O 3.09Å; L361-N390 PolarHBondContact O-OD1 3.41Å
391F85.8Confident85.8Confident68 Ų6864 Ų6430%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-148.1158.3-179.864.1-86.1000112.5W357 V358 Y385 D389 Y393W357-F391 HydrophobicContact CZ2-CB 4.06Å; W357-F391 AromaticContact NE1-CD2 3.62Å; W357-F391 AromaticContact NE1-CG 3.62Å; V358-F391 CarbonylContact O-C 3.46Å; V358-F391 WeakPolarHBondContact O-CA 3.4Å; Y385-F391 WeakPolarHBondContact CD2-O 3.23Å; D389-F391 HydrophobicContact CB-CD1 4.41Å; D389-F391 HydrophobicContact CB-CE1 4.25Å; D389-F391 PolarHBondContact O-N 3.24Å; F391-Y393 HydrophobicContact CD2-CE2 4.12Å; F391-Y393 AromaticContact CE2-CE2 3.95Å; F391-Y393 HydrophobicContact CE2-CE2 3.95Å
392A87.9Confident85.9Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-132.6162.8172.200000110.5V358 L361 L370 D384 Y385V358-A392 PolarHBondContact N-O 3.24Å; V358-A392 PolarHBondContact O-N 3.3Å; L361-A392 HydrophobicContact CD1-CB 3.93Å; L370-A392 HydrophobicContact CD1-CB 4.19Å; D384-A392 WeakPolarHBondContact O-CA 3.33Å; Y385-A392 HydrophobicContact CD2-CB 3.73Å; Y385-A392 HydrophobicContact CG-CB 4.22Å
393Y89.8Confident86.1Confident39 Ų3956.8 Ų56.815%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-112.7138.2159.5-59.2-87.9000110.2N322 L356 W357 I383 D384 F391 A426N322-Y393 PolarHBondContact OD1-OH 3.44Å; L356-Y393 CarbonylContact O-C 3.56Å; L356-Y393 VanDerWaalsContact O-CA 3.26Å; L356-Y393 WeakPolarHBondContact O-CA 3.44Å; W357-Y393 HydrophobicContact CB-CD1 3.95Å; W357-Y393 HydrophobicContact CB-CE1 3.83Å; W357-Y393 AromaticContact CD1-CE1 3.43Å; W357-Y393 VanDerWaalsContact CD1-CE1 3.43Å; W357-Y393 AromaticContact CD1-CZ 3.61Å; W357-Y393 HydrophobicContact CG-CD1 4.41Å; W357-Y393 AromaticContact CG-CE1 4Å; W357-Y393 HydrophobicContact CG-CE1 4Å; I383-Y393 CarbonylContact C-O 3.57Å; I383-Y393 WeakPolarHBondContact CA-O 3.41Å; D384-Y393 PolarHBondContact N-O 2.82Å; D384-Y393 PolarHBondContact O-N 2.66Å; F391-Y393 HydrophobicContact CD2-CE2 4.12Å; F391-Y393 AromaticContact CE2-CE2 3.95Å; F391-Y393 HydrophobicContact CE2-CE2 3.95Å; Y393-A426 HydrophobicContact CD1-CB 3.88Å; Y393-A426 HydrophobicContact CE1-CB 4.04Å
394I91Very high86.2Confident0 Ų056.8 Ų56.80%031%0.305CS..EExtended strand (participates in β ladder)trans-125.7123.9179.1-62-179.6000107.9R355 L356 V358 L370 F374 I380 I383 Y396R355-I394 CarbonylContact C-O 3.58Å; R355-I394 WeakPolarHBondContact CA-O 3.43Å; L356-I394 PolarHBondContact N-O 3.23Å; L356-I394 PolarHBondContact O-N 2.9Å; V358-I394 HydrophobicContact CG2-CD1 4.02Å; V358-I394 HydrophobicContact CG2-CG1 4.37Å; L370-I394 HydrophobicContact CD2-CD1 4.22Å; F374-I394 HydrophobicContact CB-CD1 3.87Å; F374-I394 HydrophobicContact CD1-CD1 3.48Å; F374-I394 VanDerWaalsContact CD1-CD1 3.48Å; F374-I394 HydrophobicContact CD2-CD1 3.7Å; F374-I394 HydrophobicContact CE1-CD1 3.88Å; F374-I394 HydrophobicContact CE2-CD1 4.06Å; F374-I394 HydrophobicContact CG-CD1 3.39Å; F374-I394 HydrophobicContact CZ-CD1 4.15Å; I380-I394 HydrophobicContact CD1-CG2 4.22Å; I380-I394 HydrophobicContact CG1-CG2 4.35Å; I380-I394 HydrophobicContact CG2-CG2 3.92Å; I383-I394 HydrophobicContact CG1-CG1 4.28Å; I383-I394 HydrophobicContact CG1-CG2 4.42Å; I383-I394 HydrophobicContact CG2-CG1 4.04Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE2 3.81Å
395Q91Very high86.3Confident44 Ų4453.6 Ų53.621%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-109.2118177.1-1731690.600110.4T354 R355 R381 N382T354-Q395 WeakPolarHBondContact O-CA 3.35Å; R355-Q395 HydrophobicContact CB-CB 4.44Å; R355-Q395 HydrophobicContact CB-CG 4.39Å; R355-Q395 HydrophobicContact CG-CB 4.35Å; R381-Q395 PolarHBondContact N-O 2.92Å; N382-Q395 PolarHBondContact N-O 2.91Å; N382-Q395 PolarHBondContact O-N 3.37Å
396Y92Very high86.4Confident0 Ų052.9 Ų52.90%029%0.287CS..EExtended strand (participates in β ladder)trans-86.8160.7174-74.5-84000112.2T354 L356 F374 F377 G378 I380 I394 S398 A401 A402 A405T354-Y396 PolarHBondContact O-N 3.14Å; L356-Y396 HydrophobicContact CD1-CD2 4.42Å; L356-Y396 HydrophobicContact CD1-CE2 3.91Å; L356-Y396 HydrophobicContact CG-CE2 4.45Å; F374-Y396 WeakPolarHBondContact CB-OH 3.44Å; F374-Y396 WeakPolarHBondContact CD1-OH 3.5Å; F374-Y396 PolarHBondContact O-OH 2.83Å; F377-Y396 HydrophobicContact CB-CE1 4.36Å; G378-Y396 WeakPolarHBondContact O-CD1 3.46Å; G378-Y396 VanDerWaalsContact O-CE1 3.23Å; G378-Y396 WeakPolarHBondContact O-CE1 3.27Å; I380-Y396 HydrophobicContact CG1-CD1 4.1Å; I380-Y396 HydrophobicContact CG1-CE1 3.72Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE2 3.81Å; Y396-S398 WeakPolarHBondContact CB-O 3.49Å; Y396-A401 HydrophobicContact CD1-CB 3.73Å; Y396-A401 HydrophobicContact CE1-CB 4.28Å; Y396-A401 HydrophobicContact CG-CB 4.1Å; Y396-A402 HydrophobicContact CD2-CB 3.8Å; Y396-A402 HydrophobicContact CG-CB 4.28Å; Y396-A405 HydrophobicContact CE2-CB 3.67Å; Y396-A405 VanDerWaalsContact OH-CB 3.23Å; Y396-A405 WeakPolarHBondContact OH-CB 3.45Å
397E90.4Very high86.7Confident99 Ų9953.4 Ų53.446%0.46329%0.29SS..SBendtrans-71.1-50.1165.6-179.7132.5-101.400112.4S379 R381S379-E397 PolarHBondContact O-N 2.91Å; R381-E397 HydrophobicContact CG-CB 4.1Å; R381-E397 IonicContact CZ-OE1 2.71Å; R381-E397 IonicContact NE-OE1 2.81Å; R381-E397 PolarHBondContact NE-OE1 3.09Å; R381-E397 IonicContact NH2-OE1 2.74Å; R381-E397 PolarHBondContact NH2-OE1 3.07Å
398S91.1Very high87.3Confident55 Ų5550.2 Ų50.239%0.38528%0.279SS..  trans-94.9141.8-178.7179.50000112Y396 D400 A402Y396-S398 WeakPolarHBondContact CB-O 3.49Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact OG-N 2.8Å; S398-D400 VanDerWaalsContact OG-N 3.14Å; S398-A402 PolarHBondContact O-N 2.94Å
399L89.2Confident88.2Confident74 Ų7447.8 Ų47.839%0.38725%0.252SS..Hα-helixtrans-65-36.6169.5-175.465.7000111.2P352 T354 A402 Q403P352-L399 HydrophobicContact CB-CD1 4.25Å; T354-L399 HydrophobicContact CG2-CB 4.19Å; T354-L399 HydrophobicContact CG2-CD1 4.32Å; L399-A402 PolarHBondContact O-N 3.26Å; L399-Q403 VanDerWaalsContact O-CG 3.32Å; L399-Q403 WeakPolarHBondContact O-CG 3.32Å; L399-Q403 PolarHBondContact O-N 3.38Å
400D91.3Very high88.4Confident117 Ų11746.9 Ų46.963%0.62624%0.244SC*.Hα-helixtrans-68-40.9-179.1-167.554.4000111.3S398 A402 Q403 A404S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact OG-N 2.8Å; S398-D400 VanDerWaalsContact OG-N 3.14Å; D400-A402 PolarHBondContact O-N 3.21Å; D400-Q403 PolarHBondContact O-N 2.88Å; D400-Q403 VanDerWaalsContact O-N 3.09Å; D400-A404 WeakPolarHBondContact O-CB 3.38Å; D400-A404 PolarHBondContact O-N 2.89Å
401A90.8Very high88.1Confident8 Ų843.3 Ų43.37%0.06623%0.23CC..Hα-helixtrans-57-46.917100000111.9F377 Y396 Q403 A404 A405F377-A401 VanDerWaalsContact O-CA 3.31Å; F377-A401 WeakPolarHBondContact O-CA 3.3Å; F377-A401 WeakPolarHBondContact O-CB 3.46Å; Y396-A401 HydrophobicContact CD1-CB 3.73Å; Y396-A401 HydrophobicContact CE1-CB 4.28Å; Y396-A401 HydrophobicContact CG-CB 4.1Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.29Å; A401-A404 PolarHBondContact O-N 2.84Å; A401-A405 WeakPolarHBondContact O-CB 3.31Å; A401-A405 PolarHBondContact O-N 3.23Å
402A89.9Confident87.9Confident0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-63.3-35.1175.100000112.6T353 L356 Y396 S398 L399 D400 C406T353-A402 VanDerWaalsContact O-CB 3.3Å; T353-A402 WeakPolarHBondContact O-CB 3.4Å; L356-A402 HydrophobicContact CD2-CB 4.14Å; L356-A402 HydrophobicContact CG-CB 4.35Å; Y396-A402 HydrophobicContact CD2-CB 3.8Å; Y396-A402 HydrophobicContact CG-CB 4.28Å; S398-A402 PolarHBondContact O-N 2.94Å; L399-A402 PolarHBondContact O-N 3.26Å; D400-A402 PolarHBondContact O-N 3.21Å; A402-C406 WeakPolarHBondContact O-CB 3.43Å; A402-C406 PolarHBondContact O-N 3.08Å
403Q89.3Confident87.4Confident75 Ų7546.4 Ų46.435%0.3525%0.251SS..Hα-helixtrans-71.2-40.4176.2-71.4-179.4-105.300112.7P352 L399 D400 A401 T407 F425P352-Q403 HydrophobicContact CB-CG 3.91Å; L399-Q403 VanDerWaalsContact O-CG 3.32Å; L399-Q403 WeakPolarHBondContact O-CG 3.32Å; L399-Q403 PolarHBondContact O-N 3.38Å; D400-Q403 PolarHBondContact O-N 2.88Å; D400-Q403 VanDerWaalsContact O-N 3.09Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.29Å; Q403-T407 WeakPolarHBondContact O-CG2 3.46Å; Q403-T407 PolarHBondContact O-N 3.05Å; Q403-T407 VanDerWaalsContact O-N 3.17Å; Q403-T407 PolarHBondContact O-OG1 3.01Å; Q403-F425 HydrophobicContact CB-CZ 4.48Å; Q403-F425 HydrophobicContact CG-CE1 4.15Å; Q403-F425 HydrophobicContact CG-CZ 3.88Å
404A89.9Confident86.3Confident29 Ų2945.2 Ų45.224%0.2425%0.247CC..Hα-helixtrans-63.6-47173.300000111.5F377 D400 A401 T407 Q408F377-A404 HydrophobicContact CB-CB 4.47Å; F377-A404 HydrophobicContact CD1-CB 4.3Å; D400-A404 WeakPolarHBondContact O-CB 3.38Å; D400-A404 PolarHBondContact O-N 2.89Å; A401-A404 PolarHBondContact O-N 2.84Å; A404-T407 PolarHBondContact O-N 2.85Å; A404-T407 PolarHBondContact O-OG1 2.99Å; A404-T407 VanDerWaalsContact O-OG1 3.06Å; A404-Q408 WeakPolarHBondContact O-CB 3.39Å; A404-Q408 WeakPolarHBondContact O-CG 3.47Å; A404-Q408 PolarHBondContact O-N 2.81Å
405A89.4Confident84.9Confident0 Ų048 Ų480%028%0.276CS..Hα-helixtrans-63.2-45.9176.400000112.2L356 F374 F377 Y396 A401 T407 Q408 M409L356-A405 HydrophobicContact CD1-CB 3.79Å; F374-A405 HydrophobicContact CD1-CB 4.23Å; F377-A405 HydrophobicContact CB-CB 3.88Å; F377-A405 HydrophobicContact CD2-CB 3.62Å; F377-A405 HydrophobicContact CE2-CB 4.41Å; F377-A405 HydrophobicContact CG-CB 3.79Å; Y396-A405 HydrophobicContact CE2-CB 3.67Å; Y396-A405 VanDerWaalsContact OH-CB 3.23Å; Y396-A405 WeakPolarHBondContact OH-CB 3.45Å; A401-A405 WeakPolarHBondContact O-CB 3.31Å; A401-A405 PolarHBondContact O-N 3.23Å; A405-T407 PolarHBondContact O-N 2.81Å; A405-Q408 PolarHBondContact O-N 2.88Å; A405-M409 VanDerWaalsContact O-CB 3.27Å; A405-M409 WeakPolarHBondContact O-CB 3.44Å; A405-M409 PolarHBondContact O-N 2.82Å
406C87.5Confident83.6Confident9 Ų947.1 Ų47.16%0.06128%0.278CS..Hα-helixtrans-63.7-26.1179.7-1700000113.5L356 A402 V423 F425L356-C406 HydrophobicContact CD1-CB 4.03Å; L356-C406 HydrophobicContact CD2-CB 3.83Å; A402-C406 WeakPolarHBondContact O-CB 3.43Å; A402-C406 PolarHBondContact O-N 3.08Å; C406-V423 HydrophobicContact CB-CG1 4.25Å; C406-F425 HydrophobicContact CB-CE1 4Å; C406-F425 HydrophobicContact CB-CE2 4.05Å; C406-F425 HydrophobicContact CB-CZ 3.62Å; C406-F425 VanDerWaalsContact SG-CE2 3.6Å
407T86.3Confident82Confident104 Ų10452.6 Ų52.664%0.63831%0.314SS*.Hα-helixtrans-89.9-36.6178.148.30000113.1Q403 A404 A405Q403-T407 WeakPolarHBondContact O-CG2 3.46Å; Q403-T407 PolarHBondContact O-N 3.05Å; Q403-T407 VanDerWaalsContact O-N 3.17Å; Q403-T407 PolarHBondContact O-OG1 3.01Å; A404-T407 PolarHBondContact O-N 2.85Å; A404-T407 PolarHBondContact O-OG1 2.99Å; A404-T407 VanDerWaalsContact O-OG1 3.06Å; A405-T407 PolarHBondContact O-N 2.81Å
408Q84.7Confident80.6Confident122 Ų12255.5 Ų55.557%0.5733%0.327SS*.Hα-helixtrans-88.1-33-177.3-68.4-178.774.300114.1F377 A404 A405 R410F377-Q408 HydrophobicContact CE1-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CG 4.27Å; F377-Q408 HydrophobicContact CZ-CB 3.98Å; A404-Q408 WeakPolarHBondContact O-CB 3.39Å; A404-Q408 WeakPolarHBondContact O-CG 3.47Å; A404-Q408 PolarHBondContact O-N 2.81Å; A405-Q408 PolarHBondContact O-N 2.88Å; Q408-R410 VanDerWaalsContact C-N 3.33Å
409M85.6Confident79.5Confident3 Ų356.3 Ų56.32%0.01533%0.325CS..SBendtrans-84.4-7.1178.5-61.7-58.9-78.500113.1E373 F374 F377 A405 G411 F412 L421 V423E373-M409 HydrophobicContact CB-CE 3.54Å; E373-M409 HydrophobicContact CG-CE 4.4Å; F374-M409 HydrophobicContact CD1-CG 4.17Å; F374-M409 HydrophobicContact CD2-CE 3.76Å; F374-M409 HydrophobicContact CE1-CB 3.82Å; F374-M409 HydrophobicContact CE1-CG 3.73Å; F374-M409 HydrophobicContact CE2-CB 4.35Å; F374-M409 HydrophobicContact CE2-CE 3.41Å; F374-M409 VanDerWaalsContact CE2-CE 3.41Å; F374-M409 HydrophobicContact CE2-CG 4.15Å; F374-M409 HydrophobicContact CZ-CB 3.6Å; F374-M409 HydrophobicContact CZ-CE 3.91Å; F374-M409 HydrophobicContact CZ-CG 3.73Å; F377-M409 HydrophobicContact CD2-CG 4.28Å; F377-M409 HydrophobicContact CE2-CG 3.4Å; F377-M409 VanDerWaalsContact CE2-CG 3.4Å; F377-M409 HydrophobicContact CE2-SD 3.58Å; F377-M409 VanDerWaalsContact CE2-SD 3.58Å; F377-M409 HydrophobicContact CZ-CG 3.86Å; F377-M409 HydrophobicContact CZ-SD 3.75Å; A405-M409 VanDerWaalsContact O-CB 3.27Å; A405-M409 WeakPolarHBondContact O-CB 3.44Å; A405-M409 PolarHBondContact O-N 2.82Å; M409-G411 PolarHBondContact O-N 3.43Å; M409-F412 HydrophobicContact CE-CD1 3.88Å; M409-F412 HydrophobicContact CE-CE1 4.24Å; M409-F412 HydrophobicContact CE-CG 4.24Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 2.82Å; M409-F412 HydrophobicContact SD-CB 4.45Å; M409-F412 HydrophobicContact SD-CD1 4.39Å; M409-F412 HydrophobicContact SD-CD2 4.44Å; M409-F412 HydrophobicContact SD-CG 4.18Å; M409-L421 HydrophobicContact CB-CD1 4.47Å; M409-L421 HydrophobicContact CE-CD1 3.75Å; M409-L421 VanDerWaalsContact O-CB 3.31Å; M409-L421 WeakPolarHBondContact O-CB 3.35Å; M409-V423 HydrophobicContact CB-CG2 3.96Å
410R82.6Confident79Confident42 Ų4257.7 Ų57.716%0.15833%0.325CS..THydrogen-bonded Turntrans-69.8123.9174-174.4-171.7-170.1108.635.1110.6P265 D268 Q269 A271 Q408 F412P265-R410 PolarHBondContact O-NH2 3.27Å; D268-R410 PolarHBondContact O-NE 2.73Å; D268-R410 PolarHBondContact O-NH2 3.28Å; D268-R410 VanDerWaalsContact O-NH2 3.11Å; Q269-R410 PolarHBondContact O-NH1 3.29Å; Q269-R410 VanDerWaalsContact O-NH1 3.15Å; A271-R410 VanDerWaalsContact O-CZ 3.24Å; A271-R410 PolarHBondContact O-NH1 3.5Å; A271-R410 PolarHBondContact O-NH2 3.02Å; Q408-R410 VanDerWaalsContact C-N 3.33Å; R410-F412 PolarHBondContact O-N 3.15Å
411G75.4Confident78.6Confident21 Ų2152.1 Ų52.122%0.21630%0.295CS..THydrogen-bonded Turntrans77.8-1.1-177.300000114M409 L421M409-G411 PolarHBondContact O-N 3.43Å; G411-L421 PolarHBondContact N-O 2.98Å
412F80.8Confident78.2Confident63 Ų6353.7 Ų53.728%0.27630%0.3SS..  trans-66.6130-178.9-174.5-92.3000110.9E373 M409 R410 L414 R420 L421E373-F412 HydrophobicContact CG-CE1 4.44Å; M409-F412 HydrophobicContact CE-CD1 3.88Å; M409-F412 HydrophobicContact CE-CE1 4.24Å; M409-F412 HydrophobicContact CE-CG 4.24Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 2.82Å; M409-F412 HydrophobicContact SD-CB 4.45Å; M409-F412 HydrophobicContact SD-CD1 4.39Å; M409-F412 HydrophobicContact SD-CD2 4.44Å; M409-F412 HydrophobicContact SD-CG 4.18Å; R410-F412 PolarHBondContact O-N 3.15Å; F412-L414 HydrophobicContact CD1-CB 4.32Å; F412-L414 HydrophobicContact CE1-CD1 4.24Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.14Å; F412-R420 WeakPolarHBondContact O-CA 3.31Å; F412-L421 HydrophobicContact CB-CD1 4.39Å; F412-L421 HydrophobicContact CD1-CD1 4.26Å; F412-L421 WeakPolarHBondContact O-CG 3.47Å; F412-L421 PolarHBondContact O-N 2.97Å
413P76.8Confident78.1Confident71 Ų7153.7 Ų53.746%0.46130%0.3SS..BIsolated β-bridgetrans-81.891.2-176.531.9-34.2000111.7G416 H419P413-G416 WeakPolarHBondContact CB-O 3.42Å; P413-H419 CarbonylContact C-O 3.54Å; P413-H419 WeakPolarHBondContact CA-O 3.16Å
414L68.3Low77.9Confident14 Ų1450.3 Ų50.37%0.07328%0.284CS..SBendtrans-98.6107.8176.7-167.573.7000110.2L361 N365 L370 E373 F412 H419 L421L361-L414 HydrophobicContact CD2-CD2 4.19Å; N365-L414 PolarHBondContact ND2-O 3.11Å; N365-L414 PolarHBondContact OD1-O 2.93Å; L370-L414 HydrophobicContact CD2-CD2 4.31Å; L370-L414 HydrophobicContact CG-CD2 4.3Å; E373-L414 HydrophobicContact CG-CD1 4.26Å; F412-L414 HydrophobicContact CD1-CB 4.32Å; F412-L414 HydrophobicContact CE1-CD1 4.24Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.14Å; L414-H419 PolarHBondContact N-O 3.18Å; L414-H419 WeakPolarHBondContact O-CB 3.33Å; L414-L421 HydrophobicContact CB-CD1 3.93Å; L414-L421 HydrophobicContact CB-CD2 3.85Å; L414-L421 HydrophobicContact CB-CG 3.8Å; L414-L421 HydrophobicContact CD2-CD1 4.21Å; L414-L421 HydrophobicContact CD2-CD2 4.12Å
415G60Low77.8Confident58 Ų5850.2 Ų50.260%0.59828%0.278SS*.SBendtrans97.3-1.6-179.600000115N365N365-G415 WeakPolarHBondContact OD1-CA 3.19Å
416G63.4Low77.5Confident25 Ų2550.5 Ų50.526%0.25828%0.28SS..SBendtrans150.9171.1172.700000113.7P413 E418 H419P413-G416 WeakPolarHBondContact CB-O 3.42Å; G416-E418 PolarHBondContact O-N 3.31Å; G416-H419 PolarHBondContact O-N 3.48Å
417P59.9Low77Confident116 Ų11655.2 Ų55.275%0.75330%0.3SS*.THydrogen-bonded Turntrans-65.2-25.7179.926.9-34.8000113.5H419P417-H419 VanDerWaalsContact C-N 3.34Å
418E60.3Low76.1Confident159 Ų15952.7 Ų52.774%0.74328%0.284SS*.THydrogen-bonded Turntrans-83.5-3.5174.5-73.9-80.4108.200113.4G416G416-E418 PolarHBondContact O-N 3.31Å
419H68.5Low74.8Confident72 Ų7252.3 Ų52.333%0.33328%0.282SS..  trans-121.268-172-64.8-20.3000110.7P413 L414 G416 P417P413-H419 CarbonylContact C-O 3.54Å; P413-H419 WeakPolarHBondContact CA-O 3.16Å; L414-H419 PolarHBondContact N-O 3.18Å; L414-H419 WeakPolarHBondContact O-CB 3.33Å; G416-H419 PolarHBondContact O-N 3.48Å; P417-H419 VanDerWaalsContact C-N 3.34Å
420R78.1Confident72.7Confident103 Ų10360.3 Ų60.339%0.38932%0.319SS..BIsolated β-bridgetrans-81128.1175.3-67.1-176.7-176.1-163.7-6110.7E266 D267 F412E266-R420 HydrophobicContact CB-CB 4.23Å; E266-R420 HydrophobicContact CG-CB 3.87Å; D267-R420 IonicContact OD1-CZ 2.59Å; D267-R420 IonicContact OD1-NH1 3.58Å; D267-R420 PolarHBondContact OD1-NH1 3.28Å; F412-R420 WeakPolarHBondContact O-CA 3.31Å
421L83.6Confident70.3Confident0 Ų061.7 Ų61.70%034%0.336CS..  trans-67.4134.2176-65.4-177.1000111.7V358 G359 L361 F374 M409 G411 F412 L414 V423V358-L421 HydrophobicContact CG1-CD1 4.34Å; V358-L421 HydrophobicContact CG1-CD2 3.94Å; G359-L421 WeakPolarHBondContact O-CA 3.35Å; L361-L421 HydrophobicContact CD2-CD2 3.44Å; L361-L421 VanDerWaalsContact CD2-CD2 3.44Å; L361-L421 HydrophobicContact CG-CD2 4.44Å; F374-L421 HydrophobicContact CE2-CD1 3.91Å; F374-L421 HydrophobicContact CZ-CD1 4.09Å; M409-L421 HydrophobicContact CB-CD1 4.47Å; M409-L421 HydrophobicContact CE-CD1 3.75Å; M409-L421 VanDerWaalsContact O-CB 3.31Å; M409-L421 WeakPolarHBondContact O-CB 3.35Å; G411-L421 PolarHBondContact N-O 2.98Å; F412-L421 HydrophobicContact CB-CD1 4.39Å; F412-L421 HydrophobicContact CD1-CD1 4.26Å; F412-L421 WeakPolarHBondContact O-CG 3.47Å; F412-L421 PolarHBondContact O-N 2.97Å; L414-L421 HydrophobicContact CB-CD1 3.93Å; L414-L421 HydrophobicContact CB-CD2 3.85Å; L414-L421 HydrophobicContact CB-CG 3.8Å; L414-L421 HydrophobicContact CD2-CD1 4.21Å; L414-L421 HydrophobicContact CD2-CD2 4.12Å; L421-V423 HydrophobicContact CB-CG2 4.2Å
422R82.6Confident68.7Low42 Ų4266 Ų6616%0.15836%0.36CS..EExtended strand (participates in β ladder)trans-107.4101.5173.7-64.6-169.8-66.9-86.5-0.7108.4E266 L323 D324 W357 G359E266-R422 HydrophobicContact CG-CG 3.53Å; E266-R422 IonicContact OE1-CZ 2.63Å; E266-R422 IonicContact OE1-NH1 2.79Å; E266-R422 PolarHBondContact OE1-NH1 3.08Å; L323-R422 HydrophobicContact CD2-CB 4.25Å; D324-R422 IonicContact OD1-CZ 3.31Å; D324-R422 IonicContact OD1-NE 2.79Å; D324-R422 PolarHBondContact OD1-NE 3.42Å; D324-R422 IonicContact OD1-NH2 3.82Å; D324-R422 PolarHBondContact OD1-NH2 3.13Å; D324-R422 IonicContact OD2-CZ 2.77Å; D324-R422 IonicContact OD2-NE 3.79Å; D324-R422 IonicContact OD2-NH2 3.73Å; D324-R422 PolarHBondContact OD2-NH2 3.44Å; W357-R422 HydrophobicContact CH2-CB 4.4Å; W357-R422 HydrophobicContact CZ3-CB 4.01Å; W357-R422 VanDerWaalsContact CZ3-O 3.25Å; W357-R422 WeakPolarHBondContact CZ3-O 3.48Å; G359-R422 PolarHBondContact N-O 3.28Å; G359-R422 PolarHBondContact O-N 3.03Å
423V87.1Confident66.4Low0 Ų068 Ų680%038%0.382CS..EExtended strand (participates in β ladder)trans-109.1133.6-174.7-168.10000110.9L356 W357 V358 F374 C406 M409 L421L356-V423 HydrophobicContact CB-CG1 4.21Å; L356-V423 HydrophobicContact CD1-CG1 3.87Å; W357-V423 WeakPolarHBondContact O-CA 3.44Å; V358-V423 HydrophobicContact CG1-CG2 4.27Å; V358-V423 HydrophobicContact CG2-CG1 4.15Å; V358-V423 HydrophobicContact CG2-CG2 4.23Å; F374-V423 HydrophobicContact CZ-CG2 4.3Å; C406-V423 HydrophobicContact CB-CG1 4.25Å; M409-V423 HydrophobicContact CB-CG2 3.96Å; L421-V423 HydrophobicContact CB-CG2 4.2Å
424D85.4Confident64.4Low4 Ų475.2 Ų75.22%0.02140%0.4CS..EExtended strand (participates in β ladder)trans-151.1166.2175.1-170.529.6000111.4S273 L323 L356 W357 A426S273-D424 WeakPolarHBondContact CB-OD2 3.38Å; S273-D424 PolarHBondContact N-OD2 2.86Å; S273-D424 PolarHBondContact OG-OD2 3.42Å; L323-D424 HydrophobicContact CB-CB 4.14Å; L323-D424 HydrophobicContact CD1-CB 3.79Å; L356-D424 WeakPolarHBondContact CA-O 3.48Å; W357-D424 PolarHBondContact N-O 2.88Å; W357-D424 PolarHBondContact O-N 3.15Å; D424-A426 PolarHBondContact O-N 3.42Å
425F87.1Confident62.9Low27 Ų2780.1 Ų80.112%0.11843%0.432CS..EExtended strand (participates in β ladder)trans-77113179.5-66.2-74.2000112.1A350 N351 P352 T353 L356 Q403 C406A350-F425 HydrophobicContact CB-CD2 3.92Å; N351-F425 WeakPolarHBondContact O-CB 3.5Å; P352-F425 HydrophobicContact CB-CD1 4.33Å; P352-F425 HydrophobicContact CB-CE1 3.96Å; P352-F425 HydrophobicContact CB-CE2 4.24Å; P352-F425 HydrophobicContact CB-CZ 3.91Å; T353-F425 WeakPolarHBondContact O-CD1 3.12Å; T353-F425 WeakPolarHBondContact OG1-CB 3.38Å; L356-F425 HydrophobicContact CD2-CD1 3.46Å; L356-F425 VanDerWaalsContact CD2-CD1 3.46Å; L356-F425 HydrophobicContact CD2-CE1 3.62Å; L356-F425 HydrophobicContact CD2-CG 4.29Å; Q403-F425 HydrophobicContact CB-CZ 4.48Å; Q403-F425 HydrophobicContact CG-CE1 4.15Å; Q403-F425 HydrophobicContact CG-CZ 3.88Å; C406-F425 HydrophobicContact CB-CE1 4Å; C406-F425 HydrophobicContact CB-CE2 4.05Å; C406-F425 HydrophobicContact CB-CZ 3.62Å; C406-F425 VanDerWaalsContact SG-CE2 3.6Å
426A83.3Confident61.7Low5 Ų586.5 Ų86.54%0.04144%0.444CS..  trans-80.8154.8171.900000110.7T353 R355 W357 Y393 D424 V428T353-A426 WeakPolarHBondContact CB-O 3.3Å; T353-A426 WeakPolarHBondContact CG2-O 3.33Å; T353-A426 PolarHBondContact OG1-O 3.05Å; R355-A426 HydrophobicContact CB-CB 4.47Å; R355-A426 HydrophobicContact CG-CB 4.13Å; R355-A426 WeakPolarHBondContact O-CA 3.27Å; R355-A426 WeakPolarHBondContact O-CB 3.35Å; R355-A426 PolarHBondContact O-N 2.61Å; W357-A426 HydrophobicContact CB-CB 4.15Å; Y393-A426 HydrophobicContact CD1-CB 3.88Å; Y393-A426 HydrophobicContact CE1-CB 4.04Å; D424-A426 PolarHBondContact O-N 3.42Å; A426-V428 PolarHBondContact O-N 2.86Å
427K76.2Confident60.6Low109 Ų10990.4 Ų90.447%0.47447%0.465SS..  trans-66134.5167.3-174.4-176.9172-1610108.6E429K427-E429 PolarHBondContact O-N 3.07Å; K427-E429 VanDerWaalsContact O-N 3.09Å
428V68.3Low59.9Low50 Ų5091.7 Ų91.730%0.30347%0.473SS..  trans-73.299.7165-177.60000106.6R355 A426R355-V428 HydrophobicContact CB-CG2 3.89Å; A426-V428 PolarHBondContact O-N 2.86Å
429E57.3Low59.1Low115 Ų11587.1 Ų87.154%0.53747%0.469SS..  trans-76.5116.1160.5-64.7-156.2129.200108.5K427 S431K427-E429 PolarHBondContact O-N 3.07Å; K427-E429 VanDerWaalsContact O-N 3.09Å; E429-S431 VanDerWaalsContact C-N 3.27Å; E429-S431 PolarHBondContact O-N 2.68Å; E429-S431 VanDerWaalsContact O-N 3.09Å
430E41.4Very low57.4Low170 Ų17095 Ų9579%0.79450%0.497SS*.  trans-7487.4160.7-68.1177.3139.700107P432E430-P432 WeakPolarHBondContact O-CD 3.07Å
431S33Very low55.1Low71 Ų7198.5 Ų98.550%0.49752%0.518SS..  trans-112.874.3-177.763.20000112.5E429 S433E429-S431 VanDerWaalsContact C-N 3.27Å; E429-S431 PolarHBondContact O-N 2.68Å; E429-S431 VanDerWaalsContact O-N 3.09Å; S431-S433 PolarHBondContact O-N 2.76Å
432P41.8Very low52.7Low112 Ų112103.4 Ų103.473%0.72755%0.55SS*.SBendtrans-67.2113.9152.330.6-28.6000107.4E430E430-P432 WeakPolarHBondContact O-CD 3.07Å
433S32.2Very low50.5Low105 Ų105107.3 Ų107.373%0.73458%0.581SS**SBendtrans69.5144.4-16982.50000116S431S431-S433 PolarHBondContact O-N 2.76Å
434R34.8Very low48.1Very low223 Ų223114.2 Ų114.284%0.84262%0.616SS**  trans-107.5116.4171.5-174.6-166.6-153.7-16310.5106.6F436R434-F436 PolarHBondContact O-N 3.42Å
435P37.7Very low45.5Very low117 Ų117118.6 Ų118.676%0.7665%0.653SS**PPolyproline II helixtrans-59.6125.4171.6-22.933.9000109.6
436F34Very low42.8Very low192 Ų192125.1 Ų125.184%0.84269%0.688SS**PPolyproline II helixtrans-66.7151.2169.9-82.2-101.7000109.8R434R434-F436 PolarHBondContact O-N 3.42Å
437P39.4Very low40Very low107 Ų107130.4 Ų130.470%0.69573%0.725SS**PPolyproline II helixtrans-59143.9168.427.4-34.4000109.9G439P437-G439 PolarHBondContact O-N 3.43Å
438P45.4Very low37.9Very low143 Ų143129 Ų12993%0.92973%0.733SS**SBendtrans-72.597.6-171.228.9-35.1000111.2
439G43.4Very low36.2Very low63 Ų63135.7 Ų135.765%0.64976%0.761SS**  trans159.246.4176.900000117.2P437P437-G439 PolarHBondContact O-N 3.43Å
440Y32.8Very low34.9Very low238 Ų238138.9 Ų138.993%0.93377%0.769SS**  trans-164.7125.2150.9-110.2-74000109.4
441Q31Very low34.4Very low175 Ų175139 Ų13982%0.81878%0.776SS**  trans-120111.9178.2-175.9178.213.100109.2
442P33.4Very low34.5Very low103 Ų103141.8 Ų141.867%0.66978%0.784SS**PPolyproline II helixtrans-74148.2168.131.4-32.8000110
443P35.6Very low34.1Very low125 Ų125144.8 Ų144.881%0.81279%0.793SS**PPolyproline II helixtrans-68.4143.4176.629-34.4000111.2A445P443-A445 PolarHBondContact O-N 3.24Å
444I36.6Very low33.8Very low144 Ų144142.8 Ų142.874%0.73879%0.789SS**PPolyproline II helixtrans-75.4116.2177.6-62.6172000109L446I444-L446 HydrophobicContact CG2-CD2 4.28Å; I444-L446 PolarHBondContact O-N 3.3Å
445A31.4Very low33.4Very low96 Ų96141.2 Ų141.279%0.79379%0.791SS**PPolyproline II helixtrans-75.8118.116300000109P443P443-A445 PolarHBondContact O-N 3.24Å
446L29.6Very low32.9Very low165 Ų165139.5 Ų139.586%0.86479%0.787SS**PPolyproline II helixtrans-78.6118.7171.2-65.5174.4000109I444I444-L446 HydrophobicContact CG2-CD2 4.28Å; I444-L446 PolarHBondContact O-N 3.3Å
447S25.9Very low32.7Very low116 Ų116141.6 Ų141.681%0.81179%0.791SS**PPolyproline II helixtrans-83.9130.6167.8-169.10000109.3
448A31.3Very low32.3Very low79 Ų79141.4 Ų141.465%0.65379%0.792SS**PPolyproline II helixtrans-71.2141176.400000111.1
449H32.2Very low31.5Very low191 Ų191146 Ų14688%0.88479%0.791SS**  trans-107.7122.1148.9-100.7-86.7000107.5
450Y29.3Very low31Very low182 Ų182151.8 Ų151.871%0.71480%0.801SS**  trans-77.3137.5162.9-94.4-94.8000108.5L452Y450-L452 HydrophobicContact CD1-CD1 3.81Å; Y450-L452 HydrophobicContact CD1-CG 3.9Å; Y450-L452 HydrophobicContact CE1-CD1 3.74Å; Y450-L452 HydrophobicContact CE1-CG 4.1Å
451D31.4Very low30.7Very low173 Ų173151.8 Ų151.893%0.92580%0.799SS**  -134.3137.3129.2-100.6-44.5000108.1
452L34.9Very low30.5Very low129 Ų129147.1 Ų147.168%0.67579%0.786SS**  trans-114.9142.9-176-100.9166.6000109Y450Y450-L452 HydrophobicContact CD1-CD1 3.81Å; Y450-L452 HydrophobicContact CD1-CG 3.9Å; Y450-L452 HydrophobicContact CE1-CD1 3.74Å; Y450-L452 HydrophobicContact CE1-CG 4.1Å
453L33.8Very low30.4Very low174 Ų174149.5 Ų149.591%0.91179%0.792SS**  trans154140.7136-81.6162.6000109.6
454G26.4Very low30.2Very low63 Ų63149.5 Ų149.565%0.64978%0.782SS**  cis160.198.5-10.800000114.3
455E27Very low29.8Very low190 Ų190151 Ų15189%0.88878%0.778SS**  trans-146.4113158.8-97.8168.3-166.400105.7
456A26.2Very low30Very low82 Ų82152.7 Ų152.768%0.67877%0.769SS**  6280.35400000112.8
457Y30.7Very low30.1Very low235 Ų235152.1 Ų152.192%0.92277%0.766SS**  -155.6132125-100.1-62.3000113
458S29.2Very low30.4Very low103 Ų103157.8 Ų157.872%0.7277%0.77SS**  trans-76.5141.5-177.1-45.50000113.2
459R28.8Very low30.3Very low239 Ų239158 Ų15890%0.90278%0.78SS**  -171.2134.1116.9-106.4162.1-75.6-161.80.7114
460H32.9Very low30Very low185 Ų185152.1 Ų152.186%0.85677%0.771SS**  trans-86.8129.2166.1-122.6-95.1000109.8
461R28Very low30Very low238 Ų238155.2 Ų155.290%0.89878%0.782SS**  trans-144.5107.2149.9-89.8-168.8168.3174.3-4.4106
462S26.7Very low29.8Very low77 Ų77154.4 Ų154.454%0.53877%0.772SS.*  83.1115.155.6760000113
463L30.3Very low29.6Very low154 Ų154159 Ų15981%0.80678%0.78SS**  trans72.2149.6158.1-55.4177.3000114.6
464E31.3Very low29.3Very low125 Ų125156.1 Ų156.158%0.58478%0.775SS**  cis-160.2166.88.5-135.1176.4144.600112.5
465R29.2Very low30Very low176 Ų176158.9 Ų158.966%0.66478%0.781SS**  trans56.2141.1132.4-154.5171.6-71-105.512.7120.4
466E34.1Very low31.3Very low130 Ų130154.9 Ų154.961%0.60777%0.772SS**  cis-144.6151.3-7.9-122.9142.9-155.200106.3
467L32.5Very low32.1Very low153 Ų153156.3 Ų156.380%0.80177%0.774SS**  cis81135.838-100.9175.9000116.9
468R32.8Very low31.8Very low235 Ų235152.9 Ų152.989%0.88777%0.766SS**  trans75.7138177.7-49.1175.9-175.2-154.1-1.2114.5
469G28.8Very low31.7Very low85 Ų85152.5 Ų152.588%0.87676%0.764SS**  cis170.8163.1-4.400000107.9
470G26.4Very low31.8Very low67 Ų67148.9 Ų148.969%0.69176%0.761SS**  cis163.4-177.38.300000107.5
471R28.7Very low31.6Very low247 Ų247147.7 Ų147.793%0.93276%0.76SS**  trans76.5139.4-173.1-59.5-179.2176.9-171.2-1.3114.6
472E27Very low31.5Very low155 Ų155140.6 Ų140.672%0.72475%0.747SS**  cis-162.2173.3-19.3-147.6-174.3-106.300111
473R30.3Very low31.5Very low226 Ų226144.6 Ų144.685%0.85376%0.762SS**  trans82.2134.9166.6-62.7-175.7177.1-166-4.7118.9
474S27Very low31.3Very low113 Ų113147.5 Ų147.579%0.7976%0.762SS**  trans-126.6170.4-170.8-60.80000108.7
475P41.8Very low30.9Very low121 Ų121146.8 Ų146.879%0.78676%0.759SS**  cis-132.7-135.8-42.443.3-25000110
476P54.1Low30.7Very low107 Ų107147.3 Ų147.370%0.69576%0.761SS**  trans-99-170.1-159.645.9-37.5000113.9
477P42.7Very low30.5Very low111 Ų111147.2 Ų147.272%0.72176%0.76SS**  -155.9156.390.341-21.4000119.4
478H26.3Very low30.4Very low164 Ų164149 Ų14976%0.75976%0.756SS**  trans35130.2135.8-67.5-73.9000125.7
479S26.6Very low30.1Very low95 Ų95141.2 Ų141.266%0.66475%0.749SS**  80.7105125-63.60000123.2
480L31.1Very low30Very low162 Ų162143 Ų14385%0.84874%0.738SS**  51.4111.2123-58.6179000120.6
481L28.7Very low30Very low160 Ų160146.9 Ų146.984%0.83874%0.742SS**  trans-121.7121.2141-65.3173.1000106
482S25.6Very low29.9Very low90 Ų90141.7 Ų141.763%0.62973%0.728SS**  48.989.169.979.50000111.1
483L26.5Very low29.9Very low160 Ų160143.6 Ų143.684%0.83873%0.729SS**  71.3130.290.6-178.475.8000111.5
484R25.7Very low29.7Very low215 Ų215138.4 Ų138.481%0.81172%0.718SS**  trans68.3159.5176.8-108.3-179.6170.8156.8-2.7111.3
485E24.1Very low29.6Very low110 Ų110142.2 Ų142.251%0.51472%0.721SS.*  cis-130.3150.87-111.9-163.5152.200111
486R24.8Very low29.5Very low188 Ų188141.4 Ų141.471%0.70972%0.716SS**  73.3149.6101-159-163.3-73-172.31.2113.9
487E30.1Very low28.1Very low128 Ų128141.5 Ų141.560%0.59872%0.719SS**  trans94.5142.3166.3-55.7-153.1147.100116.8
488R30.5Very low27.3Very low189 Ų189141.5 Ų141.571%0.71372%0.722SS**  cis-147.1150.3-3-132.2163.4176145.8-12.5111.2
489G26.5Very low28.3Very low72 Ų72138.9 Ų138.974%0.74272%0.719SS**  trans-130.9123.2158.700000108.9
490L26.3Very low28.2Very low122 Ų122140.4 Ų140.464%0.63972%0.724SS**  trans-143.2130.2167-70.1178.6000104.5
491L26.6Very low28.1Very low149 Ų149143.8 Ų143.878%0.7873%0.726SS**  59.3133.778.1-57.5-176.6000111.3
492E25.4Very low27.9Very low138 Ų138141.2 Ų141.265%0.64572%0.721SS**  cis-157.9155.935.5-141.8-177.4127.600115
493R26.8Very low28Very low195 Ų195144 Ų14474%0.73673%0.728SS**  trans58.1119.3147.8-87.2-177.2165.6124.2-8.7125.5
494D26.3Very low28.2Very low117 Ų117142.8 Ų142.863%0.62672%0.718SS**  63.5102.9116.5-59.1-1.9000124.3
495F26Very low28.5Very low194 Ų194141.1 Ų141.185%0.85171%0.712SS**  trans62.2161.2136.7-72.9-81.1000121.1
496P38.3Very low28.8Very low104 Ų104146.4 Ų146.468%0.67573%0.727SS**  cis-127.4-159.3-10.839.8-21.5000113.7
497S25.1Very low29.1Very low108 Ų108143.6 Ų143.676%0.75573%0.731SS**  trans68.6111.615258.30000122
498S26.5Very low29.1Very low112 Ų112141.1 Ų141.178%0.78374%0.74SS**  trans-71.1171.4135.1-33.30000109.8
499P46.6Very low29Very low108 Ų108135.7 Ų135.770%0.70174%0.743SS**  cis-144.7-146.916.842.7-20000114.5
500T25.9Very low29.2Very low127 Ų127138.2 Ų138.278%0.77974%0.743SS**  trans81.9150.9173.781.80000115.8
501R27.1Very low29.4Very low234 Ų234140.9 Ų140.988%0.88375%0.752SS**  cis-143.9145.6-1.9-143.5168-177.4179.4-0.7112.1
502S26.2Very low29.7Very low105 Ų105137.2 Ų137.273%0.73474%0.744SS**  trans-69.2157.9176.152.40000115.3
503L26.5Very low29.8Very low148 Ų148140.7 Ų140.778%0.77576%0.757SS**  trans-152.9104.8141.9-159.970.2000114.5
504E31.1Very low29.7Very low135 Ų135134.6 Ų134.663%0.63176%0.755SS**  trans62.9164.8149-60.3-176.3-172.300119.6
505R31.9Very low29.8Very low181 Ų181140.4 Ų140.468%0.68377%0.768SS**  cis-15412718.1-167164.3-87.7-164.7-4.8115
506R30.9Very low29.9Very low220 Ų220136.6 Ų136.683%0.8377%0.765SS**  trans61.9156.2156.8-67.7174.7-176.8-177.7-1.5118.3
507V30.8Very low29.4Very low130 Ų130135.1 Ų135.179%0.78877%0.769SS**  cis-156131.3-20.3126.90000104.9
508G29.2Very low29.6Very low76 Ų76142.3 Ų142.378%0.78478%0.78SS**  77.7133.786.700000112
509G28.8Very low29.7Very low75 Ų75142.2 Ų142.277%0.77379%0.786SS**  cis-168.5-164.20.100000108.8
510V30.5Very low29Very low125 Ų125141.3 Ų141.376%0.75879%0.787SS**  cis-165.5159-3.7106.80000109.5
511E32.2Very low29.1Very low178 Ų178147.1 Ų147.183%0.83280%0.795SS**  trans69.4148.4162.9-85.7159.5-141.100121.3
512A31.6Very low29.1Very low72 Ų72141.4 Ų141.460%0.59579%0.791SS**  cis-158.1162.5-1500000112.9
513F28.2Very low29.2Very low210 Ų210147.4 Ų147.492%0.92180%0.797SS**  trans21.8150.1158.3-55.3-74.1000123
514G25.3Very low29.7Very low67 Ų67144.9 Ų144.969%0.69179%0.792SS**  cis161.5163.8-3.700000114.1
515R27.9Very low29.7Very low240 Ų240147.9 Ų147.991%0.90680%0.803SS**  trans56.9105.9162.6-73.2-170.6177.3-134.90.5121.7
516S27.8Very low29.9Very low113 Ų113143.9 Ų143.979%0.7980%0.803SS**  43.4121.5125.365.40000122.7
517G27.3Very low30.1Very low74 Ų74143 Ų14376%0.76380%0.799SS**  116.2131.8128.100000118.8
518R30.3Very low30.2Very low258 Ų258143.9 Ų143.997%0.97480%0.795SS**  trans54.6102.5165.9-62.4-174.3178.7-153.40.9118
519A26.7Very low30.3Very low110 Ų110150.7 Ų150.791%0.90980%0.797SS**  trans-145.1127.2145.100000110.6
520A31.9Very low30.7Very low89 Ų89157.1 Ų157.174%0.73680%0.798SS**  trans-118.4156.8169.500000109.3
521R29.4Very low31Very low250 Ų250156.3 Ų156.394%0.94379%0.789SS**  trans76.7113.1-179.6-47.1166.1175-177.8-2.3115.2
522S26.8Very low31Very low113 Ų113155.3 Ų155.379%0.7978%0.782SS**  -162.6110.7108.2-1590000114.3
523R28.8Very low31.3Very low231 Ų231157.8 Ų157.887%0.87278%0.781SS**  trans30.5114.9146.8-71.4178.8161.4131.2-4.5121.4
524S36.2Very low31.7Very low96 Ų96156.3 Ų156.367%0.67177%0.769SS**  trans-41.6140.3140.2152.90000112.8
525K30.8Very low32.2Very low197 Ų197158.9 Ų158.986%0.85776%0.764SS**  trans-14217.8171.3-142.3176.5-174.7-179.30115.5
526S35.9Very low32.4Very low97 Ų97152 Ų15268%0.67874%0.742SS**SBendtrans-102.6-36.8-176.8-174.60000113.9E528S526-E528 PolarHBondContact O-N 2.82Å
527R35.6Very low33Very low201 Ų201155.6 Ų155.676%0.75874%0.738SS**Hα-helixtrans-71.2-27.3-167-163.9175.1-179.1-164.3-0.3115.1
528E33Very low33.6Very low150 Ų150160.3 Ų160.370%0.70173%0.733SS**Hα-helixtrans-75.5-30.3-174.2-65.9176.9130.800113.4S526 W530 L531 K532S526-E528 PolarHBondContact O-N 2.82Å; E528-W530 VanDerWaalsContact C-N 3.34Å; E528-W530 PolarHBondContact O-N 2.95Å; E528-L531 PolarHBondContact O-N 3.11Å; E528-K532 PolarHBondContact O-N 2.89Å
529R31Very low33.8Very low218 Ų218152.4 Ų152.482%0.82371%0.713SS**Hα-helixtrans-64.4-38.9-176.5-157.9176.2-167.6-178.34.4112
530W37Very low34.2Very low211 Ų211155.2 Ų155.280%0.79970%0.701SS**Hα-helixtrans-73.9-22-179-100.989.1000114.9E528E528-W530 VanDerWaalsContact C-N 3.34Å; E528-W530 PolarHBondContact O-N 2.95Å
531L37Very low34.5Very low107 Ų107162.1 Ų162.156%0.5671%0.707SS**Hα-helixtrans-83.4-43.4177.7-67.8173.9000111.1E528 E533 R534 E535E528-L531 PolarHBondContact O-N 3.11Å; L531-E533 VanDerWaalsContact C-N 3.33Å; L531-E533 PolarHBondContact O-N 2.81Å; L531-R534 PolarHBondContact O-N 3.01Å; L531-R534 VanDerWaalsContact O-N 3.07Å; L531-E535 PolarHBondContact O-N 2.85Å
532K32.6Very low34.7Very low158 Ų158161.5 Ų161.569%0.68771%0.705SS**Hα-helixtrans-60.4-39.5-177.4-161.7170.1-175.5176.40112.9E528 R534 E535 E536E528-K532 PolarHBondContact O-N 2.89Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.3Å; K532-E535 PolarHBondContact O-N 2.93Å; K532-E536 PolarHBondContact O-N 3.29Å
533E37.2Very low34.8Very low124 Ų124160.4 Ų160.458%0.57970%0.697SS**Hα-helixtrans-67.4-29.5177.2-168.9177.8170.400113.3L531L531-E533 VanDerWaalsContact C-N 3.33Å; L531-E533 PolarHBondContact O-N 2.81Å
534R37.3Very low34.8Very low178 Ų178160.7 Ų160.767%0.67270%0.698SS**Hα-helixtrans-78.1-31.3178.7-166.3173.3-177.4174.9-0.1112.4L531 K532L531-R534 PolarHBondContact O-N 3.01Å; L531-R534 VanDerWaalsContact O-N 3.07Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.3Å
535E34.8Very low34.6Very low122 Ų122161.3 Ų161.357%0.5770%0.703SS**Hα-helixtrans-69.4-48.4174.2-149.179.7-95.300111.3L531 K532 R537 R538 T539L531-E535 PolarHBondContact O-N 2.85Å; K532-E535 PolarHBondContact O-N 2.93Å; E535-R537 PolarHBondContact O-N 2.91Å; E535-R537 VanDerWaalsContact O-N 3.12Å; E535-R538 PolarHBondContact O-N 2.83Å; E535-T539 PolarHBondContact O-N 3.15Å
536E33.7Very low34.5Very low95 Ų95159.5 Ų159.544%0.44470%0.702SS.*Hα-helixtrans-68.1-14.5-174.5-146.7-167.2-98.600114K532 R540K532-E536 PolarHBondContact O-N 3.29Å; E536-R540 PolarHBondContact O-NH1 2.75Å; E536-R540 IonicContact OE2-CZ 3.21Å; E536-R540 IonicContact OE2-NH1 2.68Å; E536-R540 PolarHBondContact OE2-NH1 3.05Å; E536-R540 IonicContact OE2-NH2 2.85Å; E536-R540 PolarHBondContact OE2-NH2 3.39Å
537R40.6Very low34.2Very low188 Ų188160.9 Ų160.971%0.70971%0.711SS**Hα-helixtrans-85.8-15.6170.1-79.3-175.2168-131.8-1.2114E535E535-R537 PolarHBondContact O-N 2.91Å; E535-R537 VanDerWaalsContact O-N 3.12Å
538R38.2Very low33.9Very low173 Ų173155.4 Ų155.465%0.65371%0.709SS**Hα-helixtrans-91-38.1179.2-76.9178.8158.1-177.6-8.8112.7E535 R541E535-R538 PolarHBondContact O-N 2.83Å; R538-R541 PolarHBondContact O-N 2.79Å
539T34.9Very low33.7Very low93 Ų93155.9 Ų155.957%0.57172%0.716SS**Hα-helixtrans-64.1-39.7177.151.20000112.6E535 R541 R542E535-T539 PolarHBondContact O-N 3.15Å; T539-R541 PolarHBondContact O-N 2.98Å; T539-R542 PolarHBondContact O-N 2.88Å
540R35.2Very low33.4Very low169 Ų169156.8 Ų156.864%0.63872%0.72SS**THydrogen-bonded Turntrans-642.6179.4-71.8-169.4179.899-6.5116.2E536E536-R540 PolarHBondContact O-NH1 2.75Å; E536-R540 IonicContact OE2-CZ 3.21Å; E536-R540 IonicContact OE2-NH1 2.68Å; E536-R540 PolarHBondContact OE2-NH1 3.05Å; E536-R540 IonicContact OE2-NH2 2.85Å; E536-R540 PolarHBondContact OE2-NH2 3.39Å
541R38Very low33.7Very low233 Ų233152 Ų15288%0.87972%0.716SS**THydrogen-bonded Turntrans-117.66.1177.7-74.1-169.7173.2-165.8-2.1115.1R538 T539R538-R541 PolarHBondContact O-N 2.79Å; T539-R541 PolarHBondContact O-N 2.98Å
542R34.4Very low34.2Very low238 Ų238151.5 Ų151.590%0.89872%0.719SS**SBendtrans-131.950.9-177.3-152.8-179.2-170.5-144.41.7113.7T539T539-R542 PolarHBondContact O-N 2.88Å
543S28.6Very low33.9Very low89 Ų89151.8 Ų151.862%0.62272%0.723SS**  trans-155.2144174.760.10000112.2
544R29.6Very low33.4Very low238 Ų238151.5 Ų151.590%0.89872%0.722SS**  trans77.778.7170.1-55.9-179.1-177.2173.9-0.1117.2
545S30.3Very low33.3Very low109 Ų109150.4 Ų150.476%0.76272%0.722SS**  trans-90.7146.6135.349.80000109.2
546L29.2Very low33.1Very low159 Ų159150.6 Ų150.683%0.83272%0.723SS**  trans68.1155.1-179-42.4176.3000113.2
547S30.1Very low32.9Very low125 Ų125156.3 Ų156.387%0.87474%0.74SS**  cis-130.8-151.311.8-57.30000112.5
548A29.9Very low32.3Very low86 Ų86149.8 Ų149.871%0.71173%0.731SS**  trans-110.5-165.5-160.200000116.3
549D28.8Very low31.9Very low161 Ų161153.5 Ų153.586%0.86175%0.745SS**  trans100.6168.8159.7-60-51.1000121.8
550R24.1Very low31.7Very low236 Ų236153.9 Ų153.989%0.89175%0.751SS**  trans-152.6-179.3-148.1-102.6-173176.8-175.52.2108.3
551P42.8Very low31.5Very low110 Ų110156.6 Ų156.671%0.71476%0.762SS**  cis-127-131.5-41.237.5-15.8000107.6
552P47.8Very low31.1Very low98 Ų98151.6 Ų151.664%0.63676%0.757SS**  cis-134.3-166.9-3139.5-19.8000115.5
553E26.7Very low30.7Very low164 Ų164152 Ų15277%0.76676%0.758SS**  trans79149.3153.5-68-167.3161.500121.4
554E27.1Very low30.6Very low118 Ų118150.5 Ų150.555%0.55176%0.757SS**  cis-148.6159.7-5.4-130.5-161.7178.900116.5
555K33.7Very low31.7Very low155 Ų155145.6 Ų145.667%0.67476%0.756SS**  trans41.3147149.2-83-178.9-162.6129.10123.4
556E31.1Very low31.6Very low126 Ų126144.4 Ų144.459%0.58976%0.761SS**  cis-142.2-121.4-8.7-163.6-157106.900109.1
557R30.1Very low31.5Very low215 Ų215140.7 Ų140.781%0.81176%0.761SS**  cis-158.1145-17.5179.1149.7-71.5163.83.9107.1
558G28.3Very low31.6Very low51 Ų51139.4 Ų139.453%0.52676%0.758SS.*  cis175.7166.6-1600000111.8
559R28.4Very low31.6Very low251 Ų251142.3 Ų142.395%0.94777%0.767SS**  trans67.7158.3173.5-59.4-176177.9-162.8-1116.9
560S32Very low31.6Very low100 Ų100139.6 Ų139.670%0.69976%0.76SS**  cis-179.5156.3-27.457.50000109.2
561R30.3Very low33Very low227 Ų227133.1 Ų133.186%0.85775%0.749SS**  cis-166.8133.4-9.3-115.4174.460.4178-2.1110.8
562V29.8Very low32.2Very low127 Ų127136.8 Ų136.877%0.7776%0.757SS**  trans36.4122.9137-178.50000121.4
563R27.1Very low31.3Very low246 Ų246137.1 Ų137.193%0.92877%0.768SS**  175168.3107-135.4174.3-177166.8-0.1114.2
564G26.2Very low31.2Very low58 Ų58134.8 Ų134.860%0.59877%0.769SS**  trans-156.6-16416100000108.2
565P52.9Low32.7Very low135 Ų135134.8 Ų134.888%0.87778%0.779SS**  cis-134.3-172-443.9-27.8000114.1
566G28Very low32.5Very low84 Ų84133.1 Ų133.187%0.86678%0.778SS**  trans103.9131.2145.200000118.9
567G25.8Very low32.4Very low81 Ų81136.8 Ų136.884%0.83579%0.786SS**  trans167.7144.3174.600000110.1
568A32.7Very low32.5Very low98 Ų98130.6 Ų130.681%0.8178%0.781SS**  trans-152.2-176.6-168.700000113.4
569V30.3Very low32.7Very low147 Ų147138.8 Ų138.889%0.89180%0.796SS**  trans94.1145.8168-173.90000116.5
570S29Very low32.9Very low104 Ų104132.4 Ų132.473%0.72779%0.785SS**  trans-128.9175.8-179-146.50000106.7
571P53.1Low32.6Very low101 Ų101138.9 Ų138.966%0.65679%0.794SS**  cis-148.5-164.920.544.3-21.5000116.7
572E25.5Very low32.5Very low187 Ų187132 Ų13287%0.87479%0.785SS**  trans40.7126.5148.7-74.4-175.7115.100124.1
573A28.9Very low33.5Very low105 Ų105131.2 Ų131.287%0.86878%0.783SS**  trans-152.8154.4133.600000110.5
574S25.6Very low33.5Very low115 Ų115126 Ų12680%0.80477%0.774SS**  trans-158.8-176.2-173.1-126.10000109.8
575P58.7Low33.6Very low117 Ų117127.4 Ų127.476%0.7678%0.775SS**  cis-133.4-176.7-25.440.5-25.6000112.9
576D28.4Very low32.5Very low120 Ų120126.9 Ų126.964%0.64277%0.769SS**  -157.3156.6126.7-150.9-6.4000112.7
577R29.3Very low32.6Very low203 Ų203129.3 Ų129.377%0.76677%0.767SS**  trans17116.4163-82.4158.5-178.190.2-5119.8
578A33.3Very low32.8Very low85 Ų85133.9 Ų133.970%0.70277%0.767SS**  94.2146.867.400000112.8
579R31.3Very low33.2Very low223 Ų223134.3 Ų134.384%0.84276%0.761SS**  cis-164.5151.16.5-127.9177-174.6-167.72.8109.6
580V32.3Very low33Very low118 Ų118137.5 Ų137.572%0.71576%0.757SS**  trans63.4134.7144.61650000117.7
581R25.9Very low33Very low235 Ų235138.1 Ų138.189%0.88775%0.753SS**  cis-148.3160.910.2-140168.4-171.2138.2-1.4111.3
582A28.9Very low31.7Very low82 Ų82142.2 Ų142.268%0.67876%0.762SS**  trans-130.7-170.3165.900000107.4
583P51.3Low32Very low111 Ų111138.4 Ų138.472%0.72176%0.757SS**  cis-115.4-134.2-13.225.31000108.2
584D25.9Very low32.9Very low136 Ų136139.1 Ų139.173%0.72775%0.753SS**  cis-157.3-147.7-0.9-146.4-44.8000112.1
585S29.3Very low32.9Very low89 Ų89140.5 Ų140.562%0.62275%0.751SS**  trans-138.5-173-153.5-40.10000113.7
586T28.6Very low31.6Very low123 Ų123140.5 Ų140.576%0.75575%0.754SS**  trans101.5132.6151.875.40000121.4
587T30.4Very low31.5Very low135 Ų135138.1 Ų138.183%0.82876%0.758SS**  trans59.4128.2144.236.30000124.5
588E31.1Very low31.5Very low178 Ų178133.8 Ų133.883%0.83277%0.765SS**  trans-70.8169.4144.6-61.9-165.8166.700110.6
589P40Very low31.2Very low107 Ų107133.2 Ų133.270%0.69577%0.768SS**  cis-149.1-176.423.644.4-23.6000118.7
590R25.9Very low31Very low214 Ų214134.5 Ų134.581%0.80877%0.772SS**  trans54.6133.6143.1-87.2-173.7145.8136.62.8123.3
591D28.4Very low31.2Very low117 Ų117137.5 Ų137.563%0.62678%0.778SS**  trans51.5117.8134.9-49.2-28.7000119.9
592H27.8Very low32.5Very low186 Ų186132.6 Ų132.686%0.86178%0.777SS**  176.9146.8112.9-94.674.9000112.4
593S31.4Very low32.6Very low108 Ų108133 Ų13376%0.75578%0.781SS**  trans-107.9163.3158.2-46.60000108.3
594P47.1Very low31.5Very low120 Ų120134 Ų13478%0.77979%0.785SS**  -156.4164.483.540.5-20.7000118.6
595D26.7Very low31.8Very low144 Ų144134 Ų13477%0.7779%0.785SS**  trans45.5131.1137.6-163.727.5000124
596S29.5Very low31.8Very low117 Ų117137.6 Ų137.682%0.81879%0.791SS**  trans-178.6125.4134.3-81.70000114.3
597G28.2Very low31.8Very low70 Ų70140 Ų14072%0.72279%0.794SS**  trans82.6129.4161.400000116.5
598A27.8Very low31.6Very low111 Ų111141.8 Ų141.892%0.91779%0.793SS**  cis62.3126.919.100000115.5
599G27.8Very low31.5Very low74 Ų74140.8 Ų140.876%0.76379%0.793SS**  cis128.4122.6-7.700000114.2
600R27.7Very low31.7Very low249 Ų249141.6 Ų141.694%0.9480%0.798SS**  trans-164.3161.4169.6-121.4172.5-177.2-177.1-0.8116.9
601H36.3Very low31.8Very low181 Ų181135.8 Ų135.884%0.83880%0.796SS**  trans-107.4-165.6177.9-64.4-84.6000109.4
602P51.4Low31.7Very low133 Ų133135.2 Ų135.286%0.86480%0.801SS**  cis-151-169.217.846.7-23.1000120.6
603A32Very low31.6Very low91 Ų91136.4 Ų136.475%0.75280%0.798SS**  trans-80.4173.5-164.800000120.6
604T28.9Very low31.5Very low131 Ų131138.8 Ų138.880%0.80480%0.797SS**  trans-156.9131.2143.223.40000108.3
605N31.4Very low30.6Very low137 Ų137140.8 Ų140.873%0.73380%0.795SS**  71.3134.588.4-94.951.8000113.5
606E28.9Very low30.5Very low163 Ų163138.6 Ų138.676%0.76279%0.792SS**  cis-150.1164.521.3-59-164.4124.700116.6
607E29.2Very low30.4Very low174 Ų174142.3 Ų142.381%0.81379%0.793SS**  trans57.1143145-76.3-163.215200129.8
608E25.8Very low30.2Very low173 Ų173150 Ų15081%0.80880%0.8SS**  trans74.8160.8144.7-71-113.393.700124.8
609L29.1Very low30Very low156 Ų156149.6 Ų149.682%0.81779%0.791SS**  trans-117.9-172.3-168.1-81.3168.6000109.3
610P45.4Very low29.8Very low124 Ų124150.7 Ų150.781%0.80579%0.786SS**  cis-135.2-166.57.743.2-23.6000115.3
611A26.9Very low29.8Very low92 Ų92142.9 Ų142.976%0.7677%0.77SS**  trans-98.815818000000113.9
612S26.9Very low29.5Very low106 Ų106140.2 Ų140.274%0.74176%0.762SS**  175.5148.712356.30000117
613R25.5Very low28.4Very low210 Ų210142.6 Ų142.679%0.79276%0.761SS**  trans69.2129.3134.4-79.9173.8173.4-166.7-2.5125
614H29.1Very low28.4Very low158 Ų158145.5 Ų145.573%0.73176%0.764SS**  trans84.1107.6130.1-67.6-36.6000124.4
615H27.9Very low28.4Very low162 Ų162145.9 Ų145.975%0.7576%0.761SS**  57.3127.8115.4-80.9-40.3000124.6
616S24.6Very low28.4Very low99 Ų99145.1 Ų145.169%0.69276%0.756SS**  105125.312174.10000122.1
617K27.5Very low28.5Very low194 Ų194144.2 Ų144.284%0.84375%0.752SS**  trans162.7128.2130.6-85.4158.3-174.5178.20107.5
618R23.6Very low28.7Very low231 Ų231142.1 Ų142.187%0.87274%0.742SS**  57.5115.763.2-93.7-166.4169.9-146.1-3.8112.5
619S23.2Very low28.8Very low103 Ų103141.1 Ų141.172%0.7274%0.737SS**  83.3137.186.9-160.30000111.2
620S24.8Very low28.6Very low97 Ų97144.1 Ų144.168%0.67874%0.737SS**  cis-155.2157.612.1-155.90000113
621S28.1Very low27.8Very low85 Ų85142.4 Ų142.459%0.59473%0.734SS**  trans46.7164134.164.80000125.6
622D28.3Very low27.8Very low126 Ų126147.2 Ų147.267%0.67474%0.74SS**  trans78.3143.1159.3-46.3-57.1000117.9
623H29.8Very low27.9Very low182 Ų182147 Ų14784%0.84375%0.746SS**  cis-147.2-176.432.2-88.1-76000115.9
624L31.3Very low28.3Very low153 Ų153142.5 Ų142.580%0.80175%0.753SS**  trans-100.1158.6-178.5-53114.6000115.1
625N28.8Very low28.2Very low139 Ų139138.9 Ų138.974%0.74376%0.758SS**  -176.2137.9128.5-101.8-32.8000110.8
626N30.8Very low28.4Very low120 Ų120136.3 Ų136.364%0.64277%0.765SS**  54.5138.689.1-70-23.2000114.7
627H32.4Very low28.5Very low144 Ų144136.3 Ų136.367%0.66777%0.771SS**  cis-160.4-175.64.1-114.25.8000107.5
628H32Very low28.6Very low131 Ų131132.8 Ų132.861%0.60677%0.771SS**  cis-164164.610.8-131.40.8000110.7
629H29.3Very low29.7Very low151 Ų151128 Ų12870%0.69977%0.77SS**  trans30157.1137.4-71.4-27.6000124.9
630R24.5Very low30Very low219 Ų219127.8 Ų127.883%0.82678%0.775SS**  cis-176.4149.2-6.8157.5175.8176.5177.40.4113.1
631A28.1Very low30.6Very low89 Ų89128.3 Ų128.374%0.73678%0.784SS**  trans73.1166.7153.500000122.4
632E26.8Very low31Very low192 Ų192131.9 Ų131.990%0.89780%0.797SS**  trans-85160.9-161.5-52.7155.3101.100115.5
633A28.8Very low31.6Very low103 Ų103129.9 Ų129.985%0.85180%0.798SS**  trans-152.9144.4140.600000109.9
634A33.8Very low32.5Very low114 Ų114127.3 Ų127.394%0.94280%0.797SS**  trans-94.414417500000111.5
635G27.9Very low33.6Very low82 Ų82124.4 Ų124.485%0.84580%0.796SS**  trans-162.5133.6175.100000111
636A31.9Very low35.1Very low109 Ų109122.6 Ų122.690%0.90179%0.794SS**  trans-103.5128.9-172.300000112.4
637A26.7Very low36.9Very low99 Ų99118.6 Ų118.682%0.81877%0.774SS**  trans-163.3149.115500000111.5
638S30.5Very low38.6Very low119 Ų119115.8 Ų115.883%0.83277%0.771SS**  trans-150.4161162.7-600000107.5
639P46.5Very low40.9Very low130 Ų130111.8 Ų111.884%0.84476%0.756SS**  cis-117.9165.9-9.339-26.6000112.8
640A28.9Very low43.4Very low100 Ų100104.6 Ų104.683%0.82672%0.723SS**  trans-131.6140.7161.400000108.5D642A640-D642 PolarHBondContact O-N 3.06Å
641A38.2Very low46Very low107 Ų10795.4 Ų95.488%0.88469%0.692SS**PPolyproline II helixtrans-68.4121.9-16500000113.3
642D35.2Very low48.6Very low160 Ų16095.5 Ų95.586%0.85668%0.677SS**PPolyproline II helixtrans-64.5129.9161.7-106.2-36.1000109.6A640A640-D642 PolarHBondContact O-N 3.06Å
643A41.3Very low51.3Low84 Ų8487.2 Ų87.269%0.69464%0.638SS**PPolyproline II helixtrans-76.1132.9168.300000108.8A645A643-A645 PolarHBondContact O-N 2.8Å; A643-A645 VanDerWaalsContact O-N 3.16Å
644P48.6Very low53.8Low128 Ų12882.3 Ų82.383%0.83160%0.598SS**PPolyproline II helixtrans-63122.1-18025.6-33.3000110.1S646P644-S646 PolarHBondContact O-N 3.37Å
645A55Low56.1Low93 Ų9383.7 Ų83.777%0.76958%0.584SS**PPolyproline II helixtrans-55.4137.7174.600000110.5A643A643-A645 PolarHBondContact O-N 2.8Å; A643-A645 VanDerWaalsContact O-N 3.16Å
646S59.2Low58.5Low100 Ų10083.3 Ų83.370%0.69958%0.581SS**PPolyproline II helixtrans-59.5125.3175.851.90000109.8P644 S648P644-S646 PolarHBondContact O-N 3.37Å; S646-S648 PolarHBondContact O-N 3.17Å; S646-S648 VanDerWaalsContact O-N 3.15Å
647P69.2Low60.8Low36 Ų3681.2 Ų81.223%0.23456%0.563CS.*PPolyproline II helixtrans-62.5120.1-174.424-32.9000110.3T649 E652 F653 T807P647-T649 PolarHBondContact O-N 2.84Å; P647-E652 HydrophobicContact CB-CB 3.76Å; P647-F653 HydrophobicContact CB-CB 4.11Å; P647-F653 HydrophobicContact CG-CB 3.94Å; P647-F653 HydrophobicContact CG-CD2 4.14Å; P647-T807 HydrophobicContact CG-CG2 3.86Å
648S69.1Low63.5Low85 Ų8578.1 Ų78.159%0.59453%0.533SS*.  trans-70.1-26.8-178.971.90000112.4S646 E652S646-S648 PolarHBondContact O-N 3.17Å; S646-S648 VanDerWaalsContact O-N 3.15Å; S648-E652 WeakPolarHBondContact CA-OE2 3.4Å; S648-E652 WeakPolarHBondContact CB-OE2 3.34Å; S648-E652 PolarHBondContact N-OE2 3.37Å; S648-E652 PolarHBondContact OG-OE2 2.83Å
649T80Confident66.1Low47 Ų4776 Ų7629%0.28852%0.518SS..SBendtrans-128145.5-164.4-62.10000110.7P647 S651 E652 F653 E813P647-T649 PolarHBondContact O-N 2.84Å; T649-S651 VanDerWaalsContact C-N 3.25Å; T649-S651 PolarHBondContact O-N 3.02Å; T649-E652 PolarHBondContact N-OE2 2.89Å; T649-E652 WeakPolarHBondContact O-CB 3.31Å; T649-E652 PolarHBondContact O-N 3.26Å; T649-F653 PolarHBondContact O-N 3.13Å; T649-E813 HydrophobicContact CG2-CG 4.1Å; T649-E813 VanDerWaalsContact CG2-OE2 3.27Å; T649-E813 WeakPolarHBondContact CG2-OE2 3.2Å
650L80.6Confident68Low1 Ų176.3 Ų76.31%0.00550%0.502CS..Hα-helixtrans-59.6-38.2-177.1-158.7178.3000111.2F653 A654 L736 L738 L811 E813 H815L650-F653 PolarHBondContact O-N 3.29Å; L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.91Å; L650-L736 HydrophobicContact CD2-CD1 4.14Å; L650-L736 HydrophobicContact CD2-CD2 3.52Å; L650-L736 HydrophobicContact CD2-CG 4.4Å; L650-L738 HydrophobicContact CD2-CD1 4.3Å; L650-L738 HydrophobicContact CD2-CD2 3.94Å; L650-L811 HydrophobicContact CD1-CB 4.05Å; L650-L811 HydrophobicContact CD1-CD2 3.79Å; L650-L811 HydrophobicContact CD1-CG 4.33Å; L650-L811 HydrophobicContact CG-CD2 3.92Å; L650-E813 HydrophobicContact CB-CB 4.14Å; L650-E813 HydrophobicContact CB-CG 4.13Å; L650-E813 WeakPolarHBondContact CB-OE2 3.15Å; L650-E813 HydrophobicContact CD1-CB 4.29Å; L650-E813 PolarHBondContact N-OE2 3.18Å; L650-H815 HydrophobicContact CD1-CB 4.22Å
651S80.6Confident70.7Confident25 Ų2572.3 Ų72.318%0.17547%0.467CS..Hα-helixtrans-68-31174.5-61.80000114T649 Q655 E813T649-S651 VanDerWaalsContact C-N 3.25Å; T649-S651 PolarHBondContact O-N 3.02Å; S651-Q655 WeakPolarHBondContact O-CB 3.45Å; S651-Q655 VanDerWaalsContact O-CG 3.22Å; S651-Q655 WeakPolarHBondContact O-CG 3.46Å; S651-Q655 PolarHBondContact O-N 3.11Å; S651-Q655 PolarHBondContact O-NE2 3.4Å; S651-E813 VanDerWaalsContact CB-OE2 3.26Å; S651-E813 WeakPolarHBondContact CB-OE2 3.49Å; S651-E813 PolarHBondContact N-OE2 3.4Å; S651-E813 PolarHBondContact OG-OE1 2.58Å; S651-E813 PolarHBondContact OG-OE2 3.46Å
652E81.3Confident73Confident91 Ų9168.2 Ų68.243%0.42543%0.428SS..Hα-helixtrans-70.8-46.3172.7-66.2172.8150.100110P647 S648 T649 A654 Q655 G656P647-E652 HydrophobicContact CB-CB 3.76Å; S648-E652 WeakPolarHBondContact CA-OE2 3.4Å; S648-E652 WeakPolarHBondContact CB-OE2 3.34Å; S648-E652 PolarHBondContact N-OE2 3.37Å; S648-E652 PolarHBondContact OG-OE2 2.83Å; T649-E652 PolarHBondContact N-OE2 2.89Å; T649-E652 WeakPolarHBondContact O-CB 3.31Å; T649-E652 PolarHBondContact O-N 3.26Å; E652-A654 VanDerWaalsContact C-N 3.31Å; E652-A654 PolarHBondContact O-N 3.03Å; E652-Q655 PolarHBondContact O-N 3.34Å; E652-G656 PolarHBondContact O-N 3.12Å
653F83.2Confident75.4Confident19 Ų1966.2 Ų66.28%0.08341%0.409CS..Hα-helixtrans-57.3-44.4173.3174.2-91.3000111.5P647 T649 L650 Q655 G656 A657 L658 A804 T807 V808P647-F653 HydrophobicContact CB-CB 4.11Å; P647-F653 HydrophobicContact CG-CB 3.94Å; P647-F653 HydrophobicContact CG-CD2 4.14Å; T649-F653 PolarHBondContact O-N 3.13Å; L650-F653 PolarHBondContact O-N 3.29Å; F653-Q655 VanDerWaalsContact C-N 3.34Å; F653-Q655 PolarHBondContact O-N 3.4Å; F653-G656 PolarHBondContact O-N 3.14Å; F653-A657 HydrophobicContact CD2-CB 4.11Å; F653-A657 HydrophobicContact CE2-CB 3.9Å; F653-A657 HydrophobicContact CZ-CB 4.15Å; F653-A657 WeakPolarHBondContact O-CA 3.24Å; F653-A657 VanDerWaalsContact O-CB 3.27Å; F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 3.11Å; F653-L658 HydrophobicContact CD1-CD1 4.48Å; F653-L658 HydrophobicContact CE1-CD1 4.15Å; F653-L658 HydrophobicContact CE1-CD2 4.16Å; F653-L658 HydrophobicContact CE1-CG 4.11Å; F653-A804 HydrophobicContact CD1-CB 3.89Å; F653-A804 HydrophobicContact CE1-CB 3.65Å; F653-A804 HydrophobicContact CZ-CB 4.26Å; F653-T807 HydrophobicContact CD2-CG2 3.81Å; F653-T807 HydrophobicContact CE2-CG2 4.07Å; F653-V808 HydrophobicContact CB-CG2 3.61Å; F653-V808 HydrophobicContact CD2-CG2 4.36Å; F653-V808 HydrophobicContact CG-CG2 4.03Å
654A82.4Confident77.5Confident0 Ų062.5 Ų62.50%038%0.379CS..Hα-helixtrans-65.1-35.5178.100000112.9L650 E652 L658 F678 L736 L738L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.91Å; E652-A654 VanDerWaalsContact C-N 3.31Å; E652-A654 PolarHBondContact O-N 3.03Å; A654-L658 HydrophobicContact CB-CD1 4.26Å; A654-L658 WeakPolarHBondContact O-CB 3.49Å; A654-L658 PolarHBondContact O-N 3.48Å; A654-L658 VanDerWaalsContact O-O 3.09Å; A654-F678 HydrophobicContact CB-CD1 4.04Å; A654-F678 HydrophobicContact CB-CD2 4.16Å; A654-F678 HydrophobicContact CB-CE1 4.17Å; A654-F678 HydrophobicContact CB-CE2 4.3Å; A654-F678 HydrophobicContact CB-CG 4.04Å; A654-F678 HydrophobicContact CB-CZ 4.3Å; A654-F678 WeakPolarHBondContact O-CD1 3.45Å; A654-F678 WeakPolarHBondContact O-CE1 3.49Å; A654-L736 HydrophobicContact CB-CD2 3.8Å; A654-L738 HydrophobicContact CB-CD1 3.48Å; A654-L738 VanDerWaalsContact CB-CD1 3.48Å
655Q81.9Confident79.4Confident143 Ų14357.1 Ų57.167%0.66834%0.342SS*.Hα-helixtrans-77.9-33.5178.3-73.9169.867.600113.3S651 E652 F653 F678S651-Q655 WeakPolarHBondContact O-CB 3.45Å; S651-Q655 VanDerWaalsContact O-CG 3.22Å; S651-Q655 WeakPolarHBondContact O-CG 3.46Å; S651-Q655 PolarHBondContact O-N 3.11Å; S651-Q655 PolarHBondContact O-NE2 3.4Å; E652-Q655 PolarHBondContact O-N 3.34Å; F653-Q655 VanDerWaalsContact C-N 3.34Å; F653-Q655 PolarHBondContact O-N 3.4Å; Q655-F678 HydrophobicContact CG-CE1 4.15Å; Q655-F678 HydrophobicContact CG-CZ 4.19Å
656G77.8Confident81Confident74 Ų7452.9 Ų52.976%0.76331%0.307SS*.Hα-helixtrans-90.1-31.6-178.700000115.1E652 F653E652-G656 PolarHBondContact O-N 3.12Å; F653-G656 PolarHBondContact O-N 3.14Å
657A80Confident82.4Confident64 Ų6448.4 Ų48.453%0.52928%0.276SS..Hα-helixtrans-114.9-13.3-171.800000115F653F653-A657 HydrophobicContact CD2-CB 4.11Å; F653-A657 HydrophobicContact CE2-CB 3.9Å; F653-A657 HydrophobicContact CZ-CB 4.15Å; F653-A657 WeakPolarHBondContact O-CA 3.24Å; F653-A657 VanDerWaalsContact O-CB 3.27Å; F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 3.11Å
658L84.8Confident83.3Confident35 Ų3548.1 Ų48.118%0.18327%0.272CS..SBendtrans-120.8147.2-177.8-51.3179.8000112.1F653 A654 F678 L680 L736F653-L658 HydrophobicContact CD1-CD1 4.48Å; F653-L658 HydrophobicContact CE1-CD1 4.15Å; F653-L658 HydrophobicContact CE1-CD2 4.16Å; F653-L658 HydrophobicContact CE1-CG 4.11Å; A654-L658 HydrophobicContact CB-CD1 4.26Å; A654-L658 WeakPolarHBondContact O-CB 3.49Å; A654-L658 PolarHBondContact O-N 3.48Å; A654-L658 VanDerWaalsContact O-O 3.09Å; L658-F678 HydrophobicContact CB-CB 3.92Å; L658-F678 HydrophobicContact CB-CD1 4.4Å; L658-F678 HydrophobicContact CD1-CB 4.1Å; L658-L680 HydrophobicContact CD1-CD2 3.8Å; L658-L680 HydrophobicContact CD2-CD2 4.46Å; L658-L736 HydrophobicContact CD1-CB 4.43Å; L658-L736 HydrophobicContact CD1-CD2 3.82Å
659S85.1Confident84.1Confident75 Ų7552 Ų5252%0.52428%0.278SS..  trans-82.8121.6177.2-174.90000111.4L661 F678 L679S659-L661 PolarHBondContact O-N 2.76Å; S659-F678 CarbonylContact O-C 3.53Å; S659-F678 WeakPolarHBondContact O-CA 3.46Å; S659-L679 PolarHBondContact O-N 3.24Å
660R86.7Confident84.3Confident136 Ų13655.3 Ų55.351%0.51329%0.294SS..EExtended strand (participates in β ladder)trans-78.8101.9177.8-170178.158.573.710.4111.1D676 L677 F678R660-D676 WeakPolarHBondContact CD-OD1 3.49Å; R660-D676 IonicContact NH1-OD1 2.79Å; R660-L677 CarbonylContact C-O 3.54Å; R660-L677 WeakPolarHBondContact CA-O 3.3Å; R660-F678 HydrophobicContact CB-CD1 3.73Å; R660-F678 HydrophobicContact CB-CE1 3.71Å; R660-F678 HydrophobicContact CB-CG 4.49Å; R660-F678 HydrophobicContact CB-CZ 4.43Å; R660-F678 HydrophobicContact CG-CD1 4.13Å; R660-F678 HydrophobicContact CG-CE1 3.89Å; R660-F678 HydrophobicContact CG-CZ 4.11Å
661L84Confident84.6Confident16 Ų1656.1 Ų56.18%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-84.1-25.9-175-65179.5000114.4S659 L677 L679 A684 F687 H688 L735S659-L661 PolarHBondContact O-N 2.76Å; L661-L677 PolarHBondContact N-O 3.45Å; L661-L679 HydrophobicContact CD1-CB 3.8Å; L661-L679 HydrophobicContact CD1-CD1 3.97Å; L661-L679 HydrophobicContact CD1-CD2 4.35Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CG-CB 4.14Å; L661-A684 HydrophobicContact CD1-CB 4.31Å; L661-A684 HydrophobicContact CD2-CB 3.97Å; L661-F687 HydrophobicContact CB-CD1 3.68Å; L661-F687 HydrophobicContact CB-CE1 3.5Å; L661-F687 VanDerWaalsContact CB-CE1 3.5Å; L661-F687 HydrophobicContact CB-CZ 4.39Å; L661-F687 HydrophobicContact CD1-CB 4.36Å; L661-F687 HydrophobicContact CD1-CD1 3.8Å; L661-F687 HydrophobicContact CD1-CE1 4.39Å; L661-F687 HydrophobicContact CD1-CG 4.16Å; L661-F687 HydrophobicContact CG-CD1 4.31Å; L661-H688 PolarHBondContact O-CE1 2.88Å; L661-H688 VanDerWaalsContact O-CE1 3.29Å; L661-L735 HydrophobicContact CD1-CD2 3.82Å
662W86.7Confident85Confident21 Ų2155 Ų558%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-154.7156.1-179.2-175.983.7000113G664 F666 L677 F687 M691 S702 L704W662-G664 VanDerWaalsContact CH2-CA 3.5Å; W662-F666 HydrophobicContact CZ3-CE2 4.38Å; W662-L677 HydrophobicContact CB-CB 4.29Å; W662-L677 HydrophobicContact CB-CD1 4.32Å; W662-L677 HydrophobicContact CD2-CD1 4.24Å; W662-L677 HydrophobicContact CE3-CD1 3.53Å; W662-L677 HydrophobicContact CE3-CG 3.79Å; W662-L677 HydrophobicContact CZ3-CD1 4.11Å; W662-L677 HydrophobicContact CZ3-CG 4.41Å; W662-L677 PolarHBondContact N-O 3.05Å; W662-L677 PolarHBondContact O-N 3.41Å; W662-F687 HydrophobicContact CB-CE1 3.84Å; W662-F687 HydrophobicContact CB-CZ 3.65Å; W662-F687 HydrophobicContact CG-CZ 4.33Å; W662-M691 HydrophobicContact CD2-CE 3.94Å; W662-M691 VanDerWaalsContact CE2-CE 3.49Å; W662-M691 HydrophobicContact CG-CE 3.96Å; W662-M691 HydrophobicContact CZ2-CE 3.97Å; W662-M691 VanDerWaalsContact NE1-CE 3.34Å; W662-S702 WeakPolarHBondContact CZ2-O 3.5Å; W662-L704 HydrophobicContact CH2-CB 4.44Å; W662-L704 HydrophobicContact CH2-CD1 3.7Å; W662-L704 HydrophobicContact CH2-CG 3.79Å; W662-L704 HydrophobicContact CZ2-CD1 4.08Å; W662-L704 HydrophobicContact CZ2-CG 3.95Å; W662-L704 HydrophobicContact CZ3-CD1 4.06Å
663R85.8Confident85.4Confident118 Ų11851 Ų5145%0.44527%0.273SS..EExtended strand (participates in β ladder)trans-136.8134.4170.6-178.5165.5166.3-179.2-7.4109D676R663-D676 WeakPolarHBondContact CB-OD1 3.4Å; R663-D676 VanDerWaalsContact CD-OD1 3.24Å; R663-D676 WeakPolarHBondContact CD-OD1 3.4Å; R663-D676 WeakPolarHBondContact CG-OD1 3.38Å
664G85.8Confident85.7Confident6 Ų650.3 Ų50.36%0.06227%0.27CS..EExtended strand (participates in β ladder)trans175.3-147.6177.900000112.8W662 P674 T675 S702W662-G664 VanDerWaalsContact CH2-CA 3.5Å; G664-P674 WeakPolarHBondContact O-CA 3.4Å; G664-T675 PolarHBondContact N-O 2.81Å; G664-T675 VanDerWaalsContact N-O 3.08Å; G664-T675 PolarHBondContact O-N 3.04Å; G664-S702 CarbonylContact C-O 3.59Å; G664-S702 VanDerWaalsContact CA-O 3.31Å; G664-S702 WeakPolarHBondContact CA-O 3.19Å
665F87.7Confident86.1Confident15 Ų1550.3 Ų50.37%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-128.6130.5-173.4-59.6-85.3000112S672 F673 P674 S702 Q703 L704 A746 L749F665-S672 WeakPolarHBondContact CB-OG 3.46Å; F665-S672 WeakPolarHBondContact CD1-OG 3.32Å; F665-F673 WeakPolarHBondContact CA-O 3.27Å; F665-P674 HydrophobicContact CD1-CB 3.93Å; F665-P674 HydrophobicContact CE1-CB 3.77Å; F665-P674 HydrophobicContact CE1-CG 4.46Å; F665-S702 PolarHBondContact N-O 2.92Å; F665-Q703 HydrophobicContact CB-CG 4.5Å; F665-Q703 CarbonylContact O-C 3.49Å; F665-Q703 WeakPolarHBondContact O-CA 3.16Å; F665-L704 PolarHBondContact O-N 2.83Å; F665-A746 HydrophobicContact CE2-CB 4.26Å; F665-A746 HydrophobicContact CZ-CB 3.7Å; F665-L749 HydrophobicContact CD1-CD2 4.09Å; F665-L749 HydrophobicContact CD2-CD2 4.16Å; F665-L749 HydrophobicContact CE1-CD1 3.97Å; F665-L749 HydrophobicContact CE1-CD2 3.96Å; F665-L749 HydrophobicContact CE1-CG 4.34Å; F665-L749 HydrophobicContact CE2-CD2 4.03Å; F665-L749 HydrophobicContact CE2-CG 4.24Å; F665-L749 HydrophobicContact CG-CD2 4.19Å; F665-L749 HydrophobicContact CZ-CD1 3.8Å; F665-L749 HydrophobicContact CZ-CD2 3.92Å; F665-L749 HydrophobicContact CZ-CG 3.96Å
666F89.8Confident86.5Confident4 Ų444.1 Ų44.12%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-81.5138.2157.7-78-80.4000109.6W662 S672 F673 T675 L677 L704 I706 L761 V774 L788 I818W662-F666 HydrophobicContact CZ3-CE2 4.38Å; F666-S672 CarbonylContact O-C 3.53Å; F666-S672 WeakPolarHBondContact O-CA 3.36Å; F666-F673 HydrophobicContact CB-CB 4.47Å; F666-F673 HydrophobicContact CB-CD2 4.5Å; F666-F673 PolarHBondContact N-O 2.93Å; F666-F673 WeakPolarHBondContact O-CD2 3.18Å; F666-F673 PolarHBondContact O-N 3.27Å; F666-T675 HydrophobicContact CD2-CG2 3.98Å; F666-T675 HydrophobicContact CE2-CG2 3.94Å; F666-L677 HydrophobicContact CE2-CD2 4.33Å; F666-L704 CarbonylContact C-O 3.57Å; F666-L704 WeakPolarHBondContact CA-O 3.46Å; F666-L704 HydrophobicContact CD1-CB 3.76Å; F666-L704 HydrophobicContact CD1-CD1 4.45Å; F666-L704 HydrophobicContact CE1-CB 3.66Å; F666-L704 HydrophobicContact CE1-CD1 3.6Å; F666-L704 HydrophobicContact CE1-CG 4.3Å; F666-L704 HydrophobicContact CE2-CD1 4.35Å; F666-L704 HydrophobicContact CZ-CB 4.33Å; F666-L704 HydrophobicContact CZ-CD1 3.52Å; F666-I706 HydrophobicContact CB-CD1 4.24Å; F666-I706 HydrophobicContact CD1-CD1 3.99Å; F666-I706 HydrophobicContact CD1-CG1 3.98Å; F666-I706 HydrophobicContact CG-CD1 4.42Å; F666-L761 HydrophobicContact CB-CD2 4.01Å; F666-V774 HydrophobicContact CE1-CG2 4.29Å; F666-L788 HydrophobicContact CE1-CD2 4.07Å; F666-L788 HydrophobicContact CZ-CD2 4.41Å; F666-I818 HydrophobicContact CE1-CD1 4.31Å; F666-I818 HydrophobicContact CE2-CD1 3.63Å; F666-I818 HydrophobicContact CZ-CD1 3.34Å
667A87.9Confident87.1Confident6 Ų640.6 Ų40.65%0.0521%0.206CC..EExtended strand (participates in β ladder)trans-121129.6178.500000110.9S671 Q703 L704 K705 I706A667-S671 WeakPolarHBondContact CA-O 3.27Å; A667-Q703 HydrophobicContact CB-CG 3.77Å; A667-L704 PolarHBondContact N-O 3.24Å; A667-K705 HydrophobicContact CB-CG 4.1Å; A667-I706 PolarHBondContact O-N 2.83Å
668L88.7Confident87.5Confident29 Ų2938 Ų3815%0.15218%0.183CC..EExtended strand (participates in β ladder)trans-132.2108.9175.3-176.171.4000109N670 S671 F673 I706 L761 Y764L668-N670 PolarHBondContact O-N 2.66Å; L668-S671 PolarHBondContact N-O 3.1Å; L668-S671 PolarHBondContact O-N 3.11Å; L668-S671 VanDerWaalsContact O-N 3.09Å; L668-F673 HydrophobicContact CB-CE2 3.95Å; L668-I706 HydrophobicContact CD1-CB 3.98Å; L668-I706 HydrophobicContact CD1-CG2 3.91Å; L668-L761 HydrophobicContact CD2-CD1 4.06Å; L668-Y764 HydrophobicContact CD2-CD1 3.65Å; L668-Y764 HydrophobicContact CD2-CE1 3.53Å; L668-Y764 HydrophobicContact CD2-CG 4.35Å
669K85.2Confident87.8Confident167 Ų16738.1 Ų38.173%0.72618%0.183SC*.THydrogen-bonded Turntrans54-109.3-175.1-55.5175.3-177.9177.20111.3L753K669-L753 WeakPolarHBondContact O-CD2 3.41Å
670N83.8Confident87.9Confident116 Ų11636.7 Ų36.762%0.6217%0.17SC*.THydrogen-bonded Turntrans-103.115.9-174.2-55.329.6000111.8L668 Q754L668-N670 PolarHBondContact O-N 2.66Å; N670-Q754 PolarHBondContact O-N 3.23Å
671S87.9Confident87.8Confident19 Ų1934.8 Ų34.813%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-127140.9-178.6-60.20000111.9A667 L668 Q754 R756A667-S671 WeakPolarHBondContact CA-O 3.27Å; L668-S671 PolarHBondContact N-O 3.1Å; L668-S671 PolarHBondContact O-N 3.11Å; L668-S671 VanDerWaalsContact O-N 3.09Å; S671-Q754 CarbonylContact C-O 3.47Å; S671-Q754 VanDerWaalsContact CA-O 3.28Å; S671-Q754 WeakPolarHBondContact CA-O 3.48Å; S671-R756 PolarHBondContact OG-NE 3.17Å
672S88.2Confident87.8Confident0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-121.6136.3-179.8-171.50000109.6F665 F666 Q754 V755 R756F665-S672 WeakPolarHBondContact CB-OG 3.46Å; F665-S672 WeakPolarHBondContact CD1-OG 3.32Å; F666-S672 CarbonylContact O-C 3.53Å; F666-S672 WeakPolarHBondContact O-CA 3.36Å; S672-Q754 PolarHBondContact N-O 3.3Å; S672-V755 CarbonylContact O-C 3.59Å; S672-V755 WeakPolarHBondContact O-CA 3.35Å; S672-R756 PolarHBondContact O-N 2.89Å
673F90.6Very high87.5Confident7 Ų734.8 Ų34.83%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-126.4104.8-172.4-51.5-82.5000109.9F665 F666 L668 T675 R756 L757 H760 L761F665-F673 WeakPolarHBondContact CA-O 3.27Å; F666-F673 HydrophobicContact CB-CB 4.47Å; F666-F673 HydrophobicContact CB-CD2 4.5Å; F666-F673 PolarHBondContact N-O 2.93Å; F666-F673 WeakPolarHBondContact O-CD2 3.18Å; F666-F673 PolarHBondContact O-N 3.27Å; L668-F673 HydrophobicContact CB-CE2 3.95Å; F673-T675 PolarHBondContact O-N 3.29Å; F673-T675 PolarHBondContact O-OG1 3.43Å; F673-R756 WeakPolarHBondContact CA-O 3.33Å; F673-R756 HydrophobicContact CD1-CB 3.9Å; F673-R756 WeakPolarHBondContact CD1-O 3.19Å; F673-R756 HydrophobicContact CE1-CB 3.68Å; F673-L757 WeakPolarHBondContact CD1-O 3.33Å; F673-H760 HydrophobicContact CE1-CB 4.05Å; F673-L761 HydrophobicContact CD1-CB 3.93Å; F673-L761 HydrophobicContact CD2-CB 4.02Å; F673-L761 HydrophobicContact CD2-CD1 4.44Å; F673-L761 HydrophobicContact CD2-CD2 3.94Å; F673-L761 HydrophobicContact CD2-CG 4.36Å; F673-L761 HydrophobicContact CE1-CB 3.96Å; F673-L761 HydrophobicContact CE2-CB 4.06Å; F673-L761 HydrophobicContact CE2-CD1 4.11Å; F673-L761 HydrophobicContact CE2-CD2 4.43Å; F673-L761 HydrophobicContact CE2-CG 4.43Å; F673-L761 HydrophobicContact CG-CB 3.97Å; F673-L761 HydrophobicContact CG-CD2 4.29Å; F673-L761 HydrophobicContact CZ-CB 4.03Å
674P89.5Confident87.3Confident5 Ų530.9 Ų30.93%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-65.4128.8178.724.2-28.2000109.7G664 F665 Q739 G740 V742 V755 R756G664-P674 WeakPolarHBondContact O-CA 3.4Å; F665-P674 HydrophobicContact CD1-CB 3.93Å; F665-P674 HydrophobicContact CE1-CB 3.77Å; F665-P674 HydrophobicContact CE1-CG 4.46Å; P674-Q739 PolarHBondContact O-NE2 3.11Å; P674-G740 PolarHBondContact O-N 3.31Å; P674-V742 HydrophobicContact CG-CG2 4.1Å; P674-V755 HydrophobicContact CG-CG1 4.29Å; P674-R756 WeakPolarHBondContact CD-O 3.14Å
675T90.4Very high87.1Confident1 Ų134.1 Ų34.11%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-144.8132-168.9-50.70000110.3G664 F666 F673 L677 A737 L738 L758G664-T675 PolarHBondContact N-O 2.81Å; G664-T675 VanDerWaalsContact N-O 3.08Å; G664-T675 PolarHBondContact O-N 3.04Å; F666-T675 HydrophobicContact CD2-CG2 3.98Å; F666-T675 HydrophobicContact CE2-CG2 3.94Å; F673-T675 PolarHBondContact O-N 3.29Å; F673-T675 PolarHBondContact O-OG1 3.43Å; T675-L677 HydrophobicContact CG2-CD2 3.96Å; T675-A737 HydrophobicContact CG2-CB 3.84Å; T675-L738 WeakPolarHBondContact CA-O 3.46Å; T675-L758 HydrophobicContact CG2-CD2 4.24Å
676D89.7Confident86.9Confident13 Ų1334.7 Ų34.77%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-103.5139169.7-83.2-72000109.8R660 R663 F678 A737 L738 G740 P741R660-D676 WeakPolarHBondContact CD-OD1 3.49Å; R660-D676 IonicContact NH1-OD1 2.79Å; R663-D676 WeakPolarHBondContact CB-OD1 3.4Å; R663-D676 VanDerWaalsContact CD-OD1 3.24Å; R663-D676 WeakPolarHBondContact CD-OD1 3.4Å; R663-D676 WeakPolarHBondContact CG-OD1 3.38Å; D676-F678 HydrophobicContact CB-CE2 3.76Å; D676-F678 HydrophobicContact CB-CZ 4.24Å; D676-A737 WeakPolarHBondContact O-CA 3.27Å; D676-L738 PolarHBondContact N-O 2.84Å; D676-L738 PolarHBondContact O-N 2.82Å; D676-G740 VanDerWaalsContact OD2-CA 3.29Å; D676-G740 WeakPolarHBondContact OD2-CA 3.31Å; D676-P741 WeakPolarHBondContact OD2-CD 3.31Å
677L90.8Very high86.6Confident0 Ų034.6 Ų34.60%020%0.197CC..EExtended strand (participates in β ladder)trans-116.7125.3-176-60.3-177.5000111.4R660 L661 W662 F666 T675 F687 L735 L736 A737 I818R660-L677 CarbonylContact C-O 3.54Å; R660-L677 WeakPolarHBondContact CA-O 3.3Å; L661-L677 PolarHBondContact N-O 3.45Å; W662-L677 HydrophobicContact CB-CB 4.29Å; W662-L677 HydrophobicContact CB-CD1 4.32Å; W662-L677 HydrophobicContact CD2-CD1 4.24Å; W662-L677 HydrophobicContact CE3-CD1 3.53Å; W662-L677 HydrophobicContact CE3-CG 3.79Å; W662-L677 HydrophobicContact CZ3-CD1 4.11Å; W662-L677 HydrophobicContact CZ3-CG 4.41Å; W662-L677 PolarHBondContact N-O 3.05Å; W662-L677 PolarHBondContact O-N 3.41Å; F666-L677 HydrophobicContact CE2-CD2 4.33Å; T675-L677 HydrophobicContact CG2-CD2 3.96Å; L677-F687 HydrophobicContact CD1-CZ 4.3Å; L677-L735 HydrophobicContact CB-CD1 4.32Å; L677-L735 HydrophobicContact CD1-CD1 4.03Å; L677-L736 WeakPolarHBondContact CA-O 3.18Å; L677-A737 HydrophobicContact CD2-CB 3.37Å; L677-I818 HydrophobicContact CD1-CD1 4.46Å; L677-I818 HydrophobicContact CD2-CD1 3.63Å; L677-I818 HydrophobicContact CD2-CG1 4.49Å
678F89.8Confident86.2Confident10 Ų1037.8 Ų37.84%0.04421%0.211CC..EExtended strand (participates in β ladder)trans-117.3139.8-178.5-57.7-100.1000109.9A654 Q655 L658 S659 R660 D676 L735 L736 L738A654-F678 HydrophobicContact CB-CD1 4.04Å; A654-F678 HydrophobicContact CB-CD2 4.16Å; A654-F678 HydrophobicContact CB-CE1 4.17Å; A654-F678 HydrophobicContact CB-CE2 4.3Å; A654-F678 HydrophobicContact CB-CG 4.04Å; A654-F678 HydrophobicContact CB-CZ 4.3Å; A654-F678 WeakPolarHBondContact O-CD1 3.45Å; A654-F678 WeakPolarHBondContact O-CE1 3.49Å; Q655-F678 HydrophobicContact CG-CE1 4.15Å; Q655-F678 HydrophobicContact CG-CZ 4.19Å; L658-F678 HydrophobicContact CB-CB 3.92Å; L658-F678 HydrophobicContact CB-CD1 4.4Å; L658-F678 HydrophobicContact CD1-CB 4.1Å; S659-F678 CarbonylContact O-C 3.53Å; S659-F678 WeakPolarHBondContact O-CA 3.46Å; R660-F678 HydrophobicContact CB-CD1 3.73Å; R660-F678 HydrophobicContact CB-CE1 3.71Å; R660-F678 HydrophobicContact CB-CG 4.49Å; R660-F678 HydrophobicContact CB-CZ 4.43Å; R660-F678 HydrophobicContact CG-CD1 4.13Å; R660-F678 HydrophobicContact CG-CE1 3.89Å; R660-F678 HydrophobicContact CG-CZ 4.11Å; D676-F678 HydrophobicContact CB-CE2 3.76Å; D676-F678 HydrophobicContact CB-CZ 4.24Å; F678-L735 CarbonylContact O-C 3.58Å; F678-L735 WeakPolarHBondContact O-CA 3.37Å; F678-L735 WeakPolarHBondContact O-CB 3.49Å; F678-L736 HydrophobicContact CB-CB 4.39Å; F678-L736 PolarHBondContact N-O 2.78Å; F678-L736 PolarHBondContact O-N 3.34Å; F678-L738 HydrophobicContact CD2-CD1 4.2Å; F678-L738 HydrophobicContact CD2-CG 4.46Å; F678-L738 HydrophobicContact CE2-CB 4.3Å; F678-L738 HydrophobicContact CE2-CD1 3.92Å; F678-L738 HydrophobicContact CE2-CG 4.34Å
679L90.6Very high85.8Confident36 Ų3639.9 Ų39.919%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-71.4132.4178.8-174.960.1000111.3S659 L661 E681 A684 L735S659-L679 PolarHBondContact O-N 3.24Å; L661-L679 HydrophobicContact CD1-CB 3.8Å; L661-L679 HydrophobicContact CD1-CD1 3.97Å; L661-L679 HydrophobicContact CD1-CD2 4.35Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CG-CB 4.14Å; L679-E681 WeakPolarHBondContact CD1-O 3.34Å; L679-A684 HydrophobicContact CD2-CB 4.09Å; L679-L735 HydrophobicContact CD1-CD2 3.86Å
680L86.6Confident85.5Confident46 Ų4632.7 Ų32.724%0.24120%0.195CC..EExtended strand (participates in β ladder)trans-104-49.5165.9-66.2168.4000111L658 I734 L736 F800 L801L658-L680 HydrophobicContact CD1-CD2 3.8Å; L658-L680 HydrophobicContact CD2-CD2 4.46Å; L680-I734 HydrophobicContact CB-CG2 4.49Å; L680-I734 WeakPolarHBondContact CB-O 3.34Å; L680-I734 HydrophobicContact CD1-CG2 4.27Å; L680-I734 PolarHBondContact N-O 3.1Å; L680-L736 HydrophobicContact CD1-CB 3.94Å; L680-L736 HydrophobicContact CD2-CB 4.07Å; L680-L736 HydrophobicContact CG-CB 3.9Å; L680-F800 HydrophobicContact CD1-CB 4.39Å; L680-L801 HydrophobicContact CD1-CD2 3.42Å; L680-L801 VanDerWaalsContact CD1-CD2 3.42Å; L680-L801 HydrophobicContact CD2-CD2 4.11Å; L680-L801 HydrophobicContact CG-CD2 4.43Å
681E84.6Confident85.3Confident96 Ų9627.5 Ų27.545%0.44917%0.167SC..EExtended strand (participates in β ladder)trans-154.5149.9-171.5-160.9-178.8163.600111.2L679 F732 I734L679-E681 WeakPolarHBondContact CD1-O 3.34Å; E681-F732 HydrophobicContact CG-CE2 4.29Å; E681-I734 HydrophobicContact CB-CB 4.12Å; E681-I734 HydrophobicContact CB-CD1 4.35Å; E681-I734 HydrophobicContact CB-CG1 4.36Å; E681-I734 PolarHBondContact N-O 3.18Å; E681-I734 VanDerWaalsContact N-O 3.15Å; E681-I734 PolarHBondContact O-N 2.83Å
682G83.9Confident84.4Confident27 Ų2733.1 Ų33.128%0.27819%0.189SC..EExtended strand (participates in β ladder)trans88.4-172.6175.800000115.8A684G682-A684 PolarHBondContact O-N 3.24Å
683G81.4Confident83Confident10 Ų1034.5 Ų34.510%0.10320%0.197CC..  trans-78.6104.7-16400000115.6A685 Y686 F687 P729 F732G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 3.34Å; G683-Y686 WeakPolarHBondContact O-CB 3.47Å; G683-Y686 PolarHBondContact O-N 3.06Å; G683-F687 PolarHBondContact O-N 3.06Å; G683-P729 PolarHBondContact N-O 3.14Å; G683-F732 PolarHBondContact N-O 3.11Å
684A81.3Confident81.6Confident35 Ų3534.2 Ų34.229%0.28920%0.195SC..Hα-helixtrans-56.6-39.7172.100000113.5L661 L679 G682 F687 H688L661-A684 HydrophobicContact CD1-CB 4.31Å; L661-A684 HydrophobicContact CD2-CB 3.97Å; L679-A684 HydrophobicContact CD2-CB 4.09Å; G682-A684 PolarHBondContact O-N 3.24Å; A684-F687 PolarHBondContact O-N 2.78Å; A684-H688 PolarHBondContact O-CD2 3.29Å; A684-H688 VanDerWaalsContact O-CD2 3.28Å; A684-H688 PolarHBondContact O-N 3.11Å
685A80.8Confident80.4Confident74 Ų7436.2 Ų36.261%0.61221%0.205SC*.Hα-helixtrans-67.8-37.6178.800000112.5G683 H688 T689G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 3.34Å; A685-H688 PolarHBondContact O-N 3.34Å; A685-T689 PolarHBondContact O-N 2.98Å; A685-T689 PolarHBondContact O-OG1 3.36Å
686Y82.9Confident79Confident28 Ų2843.2 Ų43.211%0.1124%0.236CC..Hα-helixtrans-62.6-49.3173164.4-109.4000110.8G683 H688 T689 V690 D730 A733 I820 N822G683-Y686 WeakPolarHBondContact O-CB 3.47Å; G683-Y686 PolarHBondContact O-N 3.06Å; Y686-H688 PolarHBondContact O-N 2.79Å; Y686-T689 WeakPolarHBondContact O-CB 3.31Å; Y686-T689 PolarHBondContact O-N 3.22Å; Y686-T689 VanDerWaalsContact O-N 3.11Å; Y686-V690 HydrophobicContact CD2-CG2 3.95Å; Y686-V690 HydrophobicContact CE2-CG2 3.56Å; Y686-V690 WeakPolarHBondContact O-CG2 3.45Å; Y686-V690 PolarHBondContact O-N 3.16Å; Y686-D730 VanDerWaalsContact CB-O 3.27Å; Y686-D730 WeakPolarHBondContact CB-O 3.44Å; Y686-A733 HydrophobicContact CD1-CB 4.37Å; Y686-I820 HydrophobicContact CE1-CG2 4.01Å; Y686-N822 PolarHBondContact OH-N 3.4Å; Y686-N822 PolarHBondContact OH-OD1 3.5Å
687F83.4Confident77.4Confident1 Ų148.8 Ų48.80%0.00427%0.265CS..Hα-helixtrans-53.7-51.3174.4173.6-99.6000112.5L661 W662 L677 G683 A684 T689 V690 M691 A733 L735 I820L661-F687 HydrophobicContact CB-CD1 3.68Å; L661-F687 HydrophobicContact CB-CE1 3.5Å; L661-F687 VanDerWaalsContact CB-CE1 3.5Å; L661-F687 HydrophobicContact CB-CZ 4.39Å; L661-F687 HydrophobicContact CD1-CB 4.36Å; L661-F687 HydrophobicContact CD1-CD1 3.8Å; L661-F687 HydrophobicContact CD1-CE1 4.39Å; L661-F687 HydrophobicContact CD1-CG 4.16Å; L661-F687 HydrophobicContact CG-CD1 4.31Å; W662-F687 HydrophobicContact CB-CE1 3.84Å; W662-F687 HydrophobicContact CB-CZ 3.65Å; W662-F687 HydrophobicContact CG-CZ 4.33Å; L677-F687 HydrophobicContact CD1-CZ 4.3Å; G683-F687 PolarHBondContact O-N 3.06Å; A684-F687 PolarHBondContact O-N 2.78Å; F687-T689 PolarHBondContact O-N 3.22Å; F687-V690 PolarHBondContact O-N 2.87Å; F687-M691 HydrophobicContact CD1-CG 4.33Å; F687-M691 HydrophobicContact CD2-CG 3.85Å; F687-M691 HydrophobicContact CE1-CG 3.94Å; F687-M691 HydrophobicContact CE2-CG 3.42Å; F687-M691 VanDerWaalsContact CE2-CG 3.42Å; F687-M691 HydrophobicContact CE2-SD 4.04Å; F687-M691 HydrophobicContact CG-CG 4.31Å; F687-M691 HydrophobicContact CZ-CE 4.37Å; F687-M691 HydrophobicContact CZ-CG 3.5Å; F687-M691 VanDerWaalsContact CZ-CG 3.5Å; F687-M691 HydrophobicContact CZ-SD 4.26Å; F687-M691 VanDerWaalsContact O-CB 3.3Å; F687-M691 WeakPolarHBondContact O-CB 3.34Å; F687-M691 VanDerWaalsContact O-CG 3.32Å; F687-M691 WeakPolarHBondContact O-CG 3.28Å; F687-M691 PolarHBondContact O-N 3.17Å; F687-A733 HydrophobicContact CB-CB 4.24Å; F687-L735 HydrophobicContact CD2-CD1 3.76Å; F687-L735 HydrophobicContact CE2-CD1 3.43Å; F687-L735 VanDerWaalsContact CE2-CD1 3.43Å; F687-L735 HydrophobicContact CZ-CD1 4.06Å; F687-I820 HydrophobicContact CD2-CD1 3.5Å; F687-I820 HydrophobicContact CE2-CD1 3.7Å
688H81.3Confident75.8Confident74 Ų7450.8 Ų50.834%0.34327%0.274SS..Hα-helixtrans-63.8-28.2179.6-77.1-52.7000113.6L661 A684 A685 Y686 K692L661-H688 PolarHBondContact O-CE1 2.88Å; L661-H688 VanDerWaalsContact O-CE1 3.29Å; A684-H688 PolarHBondContact O-CD2 3.29Å; A684-H688 VanDerWaalsContact O-CD2 3.28Å; A684-H688 PolarHBondContact O-N 3.11Å; A685-H688 PolarHBondContact O-N 3.34Å; Y686-H688 PolarHBondContact O-N 2.79Å; H688-K692 VanDerWaalsContact O-CB 3.26Å; H688-K692 WeakPolarHBondContact O-CB 3.05Å; H688-K692 WeakPolarHBondContact O-CD 3.28Å; H688-K692 WeakPolarHBondContact O-CG 3.16Å; H688-K692 PolarHBondContact O-N 3.21Å; H688-K692 VanDerWaalsContact O-N 3.1Å
689T79.3Confident73.7Confident73 Ų7355.8 Ų55.845%0.44831%0.311SS..Hα-helixtrans-70.9-57.2175.9-56.10000110.1A685 Y686 F687 M691 K692 D693A685-T689 PolarHBondContact O-N 2.98Å; A685-T689 PolarHBondContact O-OG1 3.36Å; Y686-T689 WeakPolarHBondContact O-CB 3.31Å; Y686-T689 PolarHBondContact O-N 3.22Å; Y686-T689 VanDerWaalsContact O-N 3.11Å; F687-T689 PolarHBondContact O-N 3.22Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å; T689-K692 PolarHBondContact O-N 2.76Å; T689-K692 VanDerWaalsContact O-N 3.11Å; T689-D693 PolarHBondContact O-N 2.89Å
690V79.7Confident72.2Confident16 Ų1656.3 Ų56.310%0.09731%0.312CS..Hα-helixtrans-58.1-39.7179.8177.90000111.9Y686 F687 S694 L776 A786Y686-V690 HydrophobicContact CD2-CG2 3.95Å; Y686-V690 HydrophobicContact CE2-CG2 3.56Å; Y686-V690 WeakPolarHBondContact O-CG2 3.45Å; Y686-V690 PolarHBondContact O-N 3.16Å; F687-V690 PolarHBondContact O-N 2.87Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.08Å; V690-S694 VanDerWaalsContact O-N 3.14Å; V690-S694 PolarHBondContact O-OG 2.88Å; V690-L776 HydrophobicContact CG1-CB 3.79Å; V690-L776 HydrophobicContact CG1-CD1 3.56Å; V690-L776 HydrophobicContact CG1-CG 4.3Å; V690-A786 HydrophobicContact CG1-CB 3.62Å; V690-A786 HydrophobicContact CG2-CB 4.21Å
691M77.9Confident70.7Confident6 Ų658.5 Ų58.53%0.0333%0.329CS..Hα-helixtrans-71.4-36.4177.3-72.4-64.6-67.400113.4W662 F687 T689 D693 S694 L695 L704W662-M691 HydrophobicContact CD2-CE 3.94Å; W662-M691 VanDerWaalsContact CE2-CE 3.49Å; W662-M691 HydrophobicContact CG-CE 3.96Å; W662-M691 HydrophobicContact CZ2-CE 3.97Å; W662-M691 VanDerWaalsContact NE1-CE 3.34Å; F687-M691 HydrophobicContact CD1-CG 4.33Å; F687-M691 HydrophobicContact CD2-CG 3.85Å; F687-M691 HydrophobicContact CE1-CG 3.94Å; F687-M691 HydrophobicContact CE2-CG 3.42Å; F687-M691 VanDerWaalsContact CE2-CG 3.42Å; F687-M691 HydrophobicContact CE2-SD 4.04Å; F687-M691 HydrophobicContact CG-CG 4.31Å; F687-M691 HydrophobicContact CZ-CE 4.37Å; F687-M691 HydrophobicContact CZ-CG 3.5Å; F687-M691 VanDerWaalsContact CZ-CG 3.5Å; F687-M691 HydrophobicContact CZ-SD 4.26Å; F687-M691 VanDerWaalsContact O-CB 3.3Å; F687-M691 WeakPolarHBondContact O-CB 3.34Å; F687-M691 VanDerWaalsContact O-CG 3.32Å; F687-M691 WeakPolarHBondContact O-CG 3.28Å; F687-M691 PolarHBondContact O-N 3.17Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å; M691-D693 VanDerWaalsContact C-N 3.34Å; M691-D693 PolarHBondContact O-N 2.98Å; M691-S694 WeakPolarHBondContact CA-OG 3.35Å; M691-S694 PolarHBondContact O-OG 2.59Å; M691-L695 VanDerWaalsContact O-CB 3.27Å; M691-L695 WeakPolarHBondContact O-CB 3.42Å; M691-L695 WeakPolarHBondContact O-CD1 3.47Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.48Å; M691-L695 VanDerWaalsContact O-N 3.12Å; M691-L704 HydrophobicContact CE-CD1 4Å; M691-L704 HydrophobicContact CE-CD2 4.03Å; M691-L704 HydrophobicContact CE-CG 4.27Å; M691-L704 HydrophobicContact SD-CD1 4.4Å; M691-L704 HydrophobicContact SD-CD2 4.15Å
692K69.1Low69.9Low138 Ų13855.3 Ų55.360%0.632%0.317SS*.Hα-helixtrans-65.1-37.9177.9-83.5172.4-178.1178.60112.1H688 T689 K696H688-K692 VanDerWaalsContact O-CB 3.26Å; H688-K692 WeakPolarHBondContact O-CB 3.05Å; H688-K692 WeakPolarHBondContact O-CD 3.28Å; H688-K692 WeakPolarHBondContact O-CG 3.16Å; H688-K692 PolarHBondContact O-N 3.21Å; H688-K692 VanDerWaalsContact O-N 3.1Å; T689-K692 PolarHBondContact O-N 2.76Å; T689-K692 VanDerWaalsContact O-N 3.11Å; K692-K696 WeakPolarHBondContact O-CG 3.4Å; K692-K696 PolarHBondContact O-N 3.48Å
693D59.9Low69.7Low29 Ų2954.6 Ų54.616%0.15531%0.307CS..Hα-helixtrans-84.3-35.5-176.2-63.3-41.3000112.7T689 M691 L695 K696 L697 A779T689-D693 PolarHBondContact O-N 2.89Å; M691-D693 VanDerWaalsContact C-N 3.34Å; M691-D693 PolarHBondContact O-N 2.98Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.84Å; D693-K696 PolarHBondContact O-N 3.01Å; D693-K696 VanDerWaalsContact O-N 3.11Å; D693-K696 WeakPolarHBondContact OD1-CE 3.32Å; D693-K696 IonicContact OD1-NZ 2.66Å; D693-K696 PolarHBondContact OD1-NZ 3.22Å; D693-L697 WeakPolarHBondContact O-CD1 3.41Å; D693-L697 PolarHBondContact O-N 3.14Å; D693-A779 HydrophobicContact CB-CB 4.31Å; D693-A779 WeakPolarHBondContact OD2-CB 3.47Å
694S61.3Low69.9Low1 Ų154.2 Ų54.21%0.00730%0.302CS..Hα-helixtrans-63.7-32.1169.956.10000113.7V690 M691 K696 Q698V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.08Å; V690-S694 VanDerWaalsContact O-N 3.14Å; V690-S694 PolarHBondContact O-OG 2.88Å; M691-S694 WeakPolarHBondContact CA-OG 3.35Å; M691-S694 PolarHBondContact O-OG 2.59Å; S694-K696 VanDerWaalsContact C-N 3.35Å; S694-Q698 PolarHBondContact O-N 3.01Å
695L63.5Low70.2Confident46 Ų4657.2 Ų57.224%0.24131%0.309CS..Hα-helixtrans-77.8-10.8172.8-70.9174.8000114.4M691 D693M691-L695 VanDerWaalsContact O-CB 3.27Å; M691-L695 WeakPolarHBondContact O-CB 3.42Å; M691-L695 WeakPolarHBondContact O-CD1 3.47Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.48Å; M691-L695 VanDerWaalsContact O-N 3.12Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.84Å
696K61.6Low70.6Confident149 Ų14954.3 Ų54.365%0.64828%0.283SS*.Hα-helixtrans-83.2-37.7169.7-70.9165.9-1661690112K692 D693 S694K692-K696 WeakPolarHBondContact O-CG 3.4Å; K692-K696 PolarHBondContact O-N 3.48Å; D693-K696 PolarHBondContact O-N 3.01Å; D693-K696 VanDerWaalsContact O-N 3.11Å; D693-K696 WeakPolarHBondContact OD1-CE 3.32Å; D693-K696 IonicContact OD1-NZ 2.66Å; D693-K696 PolarHBondContact OD1-NZ 3.22Å; S694-K696 VanDerWaalsContact C-N 3.35Å
697L55.5Low70.6Confident129 Ų12957 Ų5768%0.67531%0.311SS*.Hα-helixtrans-76-24.6179.6-8889000113.5D693 P777D693-L697 WeakPolarHBondContact O-CD1 3.41Å; D693-L697 PolarHBondContact O-N 3.14Å; L697-P777 HydrophobicContact CB-CG 4.31Å; L697-P777 HydrophobicContact CD1-CG 4.35Å; L697-P777 HydrophobicContact CD2-CB 4.1Å; L697-P777 HydrophobicContact CD2-CG 4.14Å
698Q56.5Low70.9Confident43 Ų4362.6 Ų62.620%0.20134%0.337CS..SBendtrans-95.4121173.8-64.8-17262.700109.2S694 Q700S694-Q698 PolarHBondContact O-N 3.01Å; Q698-Q700 PolarHBondContact O-N 3.45Å
699S47.2Very low71.2Confident115 Ų11566.6 Ų66.680%0.80435%0.349SS*.SBendtrans-71.424.9-176.470.40000114.7
700Q57.8Low71.7Confident47 Ų4764.5 Ų64.522%0.2234%0.335CS..SBendtrans-143.6107.5-171.1-68-67.8-7.200108.3Q698 E750Q698-Q700 PolarHBondContact O-N 3.45Å; Q700-E750 PolarHBondContact NE2-OE1 3.44Å
701P55.4Low72Confident91 Ų9172.1 Ų72.159%0.59136%0.362SS*.THydrogen-bonded Turntrans-65.9139.2-177.926.6-33.2000111.3Q703P701-Q703 PolarHBondContact O-N 2.86Å
702S68.7Low72.3Confident29 Ų2974.2 Ų74.220%0.20337%0.372CS..THydrogen-bonded Turntrans65.130.8172.1-55.30000117.6W662 G664 F665W662-S702 WeakPolarHBondContact CZ2-O 3.5Å; G664-S702 CarbonylContact C-O 3.59Å; G664-S702 VanDerWaalsContact CA-O 3.31Å; G664-S702 WeakPolarHBondContact CA-O 3.19Å; F665-S702 PolarHBondContact N-O 2.92Å
703Q79Confident73.2Confident13 Ų1371.7 Ų71.76%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-117.6132.3168.7-171.1173.992.900113.4F665 A667 P701 K705F665-Q703 HydrophobicContact CB-CG 4.5Å; F665-Q703 CarbonylContact O-C 3.49Å; F665-Q703 WeakPolarHBondContact O-CA 3.16Å; A667-Q703 HydrophobicContact CB-CG 3.77Å; P701-Q703 PolarHBondContact O-N 2.86Å; Q703-K705 HydrophobicContact CG-CG 4.42Å
704L86.1Confident74.5Confident1 Ų176 Ų761%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-114.3111.9175.5-70.2177.1000110.9W662 F665 F666 A667 M691 V774 L776 L788W662-L704 HydrophobicContact CH2-CB 4.44Å; W662-L704 HydrophobicContact CH2-CD1 3.7Å; W662-L704 HydrophobicContact CH2-CG 3.79Å; W662-L704 HydrophobicContact CZ2-CD1 4.08Å; W662-L704 HydrophobicContact CZ2-CG 3.95Å; W662-L704 HydrophobicContact CZ3-CD1 4.06Å; F665-L704 PolarHBondContact O-N 2.83Å; F666-L704 CarbonylContact C-O 3.57Å; F666-L704 WeakPolarHBondContact CA-O 3.46Å; F666-L704 HydrophobicContact CD1-CB 3.76Å; F666-L704 HydrophobicContact CD1-CD1 4.45Å; F666-L704 HydrophobicContact CE1-CB 3.66Å; F666-L704 HydrophobicContact CE1-CD1 3.6Å; F666-L704 HydrophobicContact CE1-CG 4.3Å; F666-L704 HydrophobicContact CE2-CD1 4.35Å; F666-L704 HydrophobicContact CZ-CB 4.33Å; F666-L704 HydrophobicContact CZ-CD1 3.52Å; A667-L704 PolarHBondContact N-O 3.24Å; M691-L704 HydrophobicContact CE-CD1 4Å; M691-L704 HydrophobicContact CE-CD2 4.03Å; M691-L704 HydrophobicContact CE-CG 4.27Å; M691-L704 HydrophobicContact SD-CD1 4.4Å; M691-L704 HydrophobicContact SD-CD2 4.15Å; L704-V774 HydrophobicContact CD2-CG1 4.44Å; L704-L776 HydrophobicContact CD2-CD2 3.94Å; L704-L788 HydrophobicContact CD1-CD1 4.02Å
705K86.4Confident75.7Confident99 Ų9979.5 Ų79.543%0.4341%0.413SS..EExtended strand (participates in β ladder)trans-90.2112.5-173.8-69.4171.3-177.8171.20111.9A667 Q703 A707A667-K705 HydrophobicContact CB-CG 4.1Å; Q703-K705 HydrophobicContact CG-CG 4.42Å; K705-A707 PolarHBondContact O-N 3.16Å
706I90.3Very high76.8Confident13 Ų1382.7 Ų82.77%0.06742%0.422CS..  trans-73.894.4175.1-58.7175.8000108.5F666 A667 L668 Q708 L761 V774F666-I706 HydrophobicContact CB-CD1 4.24Å; F666-I706 HydrophobicContact CD1-CD1 3.99Å; F666-I706 HydrophobicContact CD1-CG1 3.98Å; F666-I706 HydrophobicContact CG-CD1 4.42Å; A667-I706 PolarHBondContact O-N 2.83Å; L668-I706 HydrophobicContact CD1-CB 3.98Å; L668-I706 HydrophobicContact CD1-CG2 3.91Å; I706-Q708 WeakPolarHBondContact CG2-O 3.4Å; I706-L761 HydrophobicContact CD1-CD1 3.94Å; I706-L761 HydrophobicContact CD1-CD2 3.8Å; I706-L761 HydrophobicContact CD1-CG 4.48Å; I706-V774 HydrophobicContact CB-CG2 4.49Å; I706-V774 HydrophobicContact CG1-CG2 3.88Å
707A83.7Confident78.1Confident84 Ų8476.5 Ų76.569%0.69440%0.396SS*.  trans-85.1-30.3-176.800000112.7K705 V773K705-A707 PolarHBondContact O-N 3.16Å; A707-V773 PolarHBondContact N-O 2.77Å
708Q88.9Confident79.6Confident118 Ų11873.6 Ų73.655%0.55138%0.381SS*.EExtended strand (participates in β ladder)trans-130.3169-175.7-64.2-175.232.200111.8I706 V773I706-Q708 WeakPolarHBondContact CG2-O 3.4Å; Q708-V773 HydrophobicContact CB-CB 3.96Å; Q708-V773 HydrophobicContact CB-CG1 4.37Å; Q708-V773 PolarHBondContact N-O 3.09Å; Q708-V773 PolarHBondContact O-N 3.26Å
709R87.5Confident81Confident159 Ų15973.7 Ų73.760%0.638%0.381SS*.EExtended strand (participates in β ladder)trans-131.9129.1172.862-179.1175.7152.11.2109.4A770 A771R709-A770 HydrophobicContact CB-CB 4.23Å; R709-A771 CarbonylContact C-O 3.42Å; R709-A771 WeakPolarHBondContact CA-O 3.48Å
710L88.9Confident82.9Confident28 Ų2868.3 Ų68.315%0.14734%0.343CS..EExtended strand (participates in β ladder)trans-97.2124174.5178.967000108R716 V720 A770 A771 V773 Y789L710-R716 HydrophobicContact CD1-CB 4.08Å; L710-R716 HydrophobicContact CD1-CG 3.87Å; L710-R716 HydrophobicContact CD2-CB 4.32Å; L710-R716 HydrophobicContact CG-CB 4.29Å; L710-V720 HydrophobicContact CD2-CG2 4.29Å; L710-A770 CarbonylContact O-C 3.53Å; L710-A770 WeakPolarHBondContact O-CA 3.38Å; L710-A770 VanDerWaalsContact O-CB 3.25Å; L710-A770 WeakPolarHBondContact O-CB 3.21Å; L710-A771 PolarHBondContact N-O 3.36Å; L710-A771 PolarHBondContact O-N 3.25Å; L710-V773 HydrophobicContact CB-CG2 3.67Å; L710-Y789 HydrophobicContact CD2-CD1 3.75Å; L710-Y789 HydrophobicContact CD2-CE1 3.77Å
711R86.9Confident84.3Confident176 Ų17667.2 Ų67.266%0.66434%0.342SS*.EExtended strand (participates in β ladder)trans-62.9138.4170.7-73.5-174.9175.8-167-3.5109.9D713R711-D713 WeakPolarHBondContact CB-OD2 3.35Å; R711-D713 WeakPolarHBondContact CD-OD2 3.35Å; R711-D713 PolarHBondContact O-N 3.23Å
712M84.3Confident85.8Confident50 Ų5069.8 Ų69.825%0.24634%0.341CS..  trans-81.742.4176.4-66.6173.364.200111.3L717 E769 F791 P792M712-L717 HydrophobicContact CB-CD2 4.35Å; M712-L717 HydrophobicContact CG-CD2 4.37Å; M712-E769 PolarHBondContact N-O 3.31Å; M712-F791 HydrophobicContact CE-CD1 4.22Å; M712-F791 HydrophobicContact SD-CD1 4.39Å; M712-P792 HydrophobicContact SD-CG 3.88Å
713D87.9Confident86.4Confident85 Ų8570.5 Ų70.546%0.45534%0.339SS..  trans-67.6138.7170.2-52.8-47.3000108.3R711 A715 R716 L717R711-D713 WeakPolarHBondContact CB-OD2 3.35Å; R711-D713 WeakPolarHBondContact CD-OD2 3.35Å; R711-D713 PolarHBondContact O-N 3.23Å; D713-A715 VanDerWaalsContact C-N 3.27Å; D713-A715 PolarHBondContact O-N 2.95Å; D713-A715 VanDerWaalsContact O-N 3.1Å; D713-R716 WeakPolarHBondContact O-CB 3.39Å; D713-R716 PolarHBondContact O-N 2.92Å; D713-L717 PolarHBondContact O-N 2.85Å
714Q87.1Confident86.7Confident121 Ų12170.5 Ų70.557%0.56534%0.339SS*.Hα-helixtrans-49.4-45.4-173.8-175.260.641.500113.2R716 L717 D718Q714-R716 PolarHBondContact O-N 2.81Å; Q714-R716 VanDerWaalsContact O-N 3.11Å; Q714-L717 WeakPolarHBondContact O-CA 3.45Å; Q714-L717 WeakPolarHBondContact O-CB 3.41Å; Q714-L717 PolarHBondContact O-N 3.07Å; Q714-D718 PolarHBondContact NE2-OD1 3.12Å; Q714-D718 PolarHBondContact O-N 3.27Å
715A87.5Confident86.6Confident73 Ų7379.1 Ų79.160%0.60338%0.376SS*.Hα-helixtrans-60.3-24.3179.700000114.4D713 E719D713-A715 VanDerWaalsContact C-N 3.27Å; D713-A715 PolarHBondContact O-N 2.95Å; D713-A715 VanDerWaalsContact O-N 3.1Å; A715-E719 WeakPolarHBondContact O-CB 3.36Å; A715-E719 PolarHBondContact O-N 3.22Å
716R86.3Confident86.2Confident114 Ų11481.1 Ų81.143%0.4339%0.391SS..Hα-helixtrans-85.6-33174-68.2-57.9-163.6164.53.4112.4L710 D713 Q714 D718 E719 V720L710-R716 HydrophobicContact CD1-CB 4.08Å; L710-R716 HydrophobicContact CD1-CG 3.87Å; L710-R716 HydrophobicContact CD2-CB 4.32Å; L710-R716 HydrophobicContact CG-CB 4.29Å; D713-R716 WeakPolarHBondContact O-CB 3.39Å; D713-R716 PolarHBondContact O-N 2.92Å; Q714-R716 PolarHBondContact O-N 2.81Å; Q714-R716 VanDerWaalsContact O-N 3.11Å; R716-D718 VanDerWaalsContact C-N 3.34Å; R716-E719 WeakPolarHBondContact CD-OE2 3.4Å; R716-E719 IonicContact CZ-OE2 2.66Å; R716-E719 IonicContact NE-OE2 3.4Å; R716-E719 IonicContact NH1-OE1 3.58Å; R716-E719 IonicContact NH1-OE2 2.67Å; R716-E719 PolarHBondContact NH1-OE2 3.25Å; R716-E719 PolarHBondContact O-N 2.91Å; R716-V720 WeakPolarHBondContact O-CG2 3.32Å; R716-V720 PolarHBondContact O-N 2.83Å; R716-V720 VanDerWaalsContact O-N 3.09Å
717L87.4Confident85.2Confident19 Ų1981.5 Ų81.510%0.09940%0.398CS..Hα-helixtrans-64.8-42.3169.4-59.1177.8000110.2M712 D713 Q714 E719 V720 A721 F791 F796M712-L717 HydrophobicContact CB-CD2 4.35Å; M712-L717 HydrophobicContact CG-CD2 4.37Å; D713-L717 PolarHBondContact O-N 2.85Å; Q714-L717 WeakPolarHBondContact O-CA 3.45Å; Q714-L717 WeakPolarHBondContact O-CB 3.41Å; Q714-L717 PolarHBondContact O-N 3.07Å; L717-E719 VanDerWaalsContact C-N 3.33Å; L717-E719 PolarHBondContact O-N 2.83Å; L717-V720 PolarHBondContact O-N 3Å; L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.34Å; L717-A721 PolarHBondContact O-N 3.02Å; L717-F791 HydrophobicContact CD2-CD1 4.37Å; L717-F791 HydrophobicContact CD2-CE1 3.68Å; L717-F791 HydrophobicContact CD2-CZ 4.49Å; L717-F796 HydrophobicContact CB-CD2 4.39Å; L717-F796 HydrophobicContact CD1-CB 4.36Å; L717-F796 HydrophobicContact CD2-CB 4.3Å; L717-F796 HydrophobicContact CD2-CD1 4.26Å; L717-F796 HydrophobicContact CD2-CD2 4.45Å; L717-F796 HydrophobicContact CD2-CG 4.08Å
718D87.8Confident84.5Confident68 Ų6887 Ų8736%0.36440%0.401SS..Hα-helixtrans-62.6-36.9174.4-63-27.5000112.5Q714 R716 R722Q714-D718 PolarHBondContact NE2-OD1 3.12Å; Q714-D718 PolarHBondContact O-N 3.27Å; R716-D718 VanDerWaalsContact C-N 3.34Å; D718-R722 WeakPolarHBondContact O-CB 3.43Å; D718-R722 PolarHBondContact O-N 2.95Å
719E86.6Confident83.3Confident45 Ų4585.3 Ų85.321%0.2140%0.4CS..Hα-helixtrans-64.7-47.3175.3-172.7-168.8157.900111.4A715 R716 L717 R722 R723A715-E719 WeakPolarHBondContact O-CB 3.36Å; A715-E719 PolarHBondContact O-N 3.22Å; R716-E719 WeakPolarHBondContact CD-OE2 3.4Å; R716-E719 IonicContact CZ-OE2 2.66Å; R716-E719 IonicContact NE-OE2 3.4Å; R716-E719 IonicContact NH1-OE1 3.58Å; R716-E719 IonicContact NH1-OE2 2.67Å; R716-E719 PolarHBondContact NH1-OE2 3.25Å; R716-E719 PolarHBondContact O-N 2.91Å; L717-E719 VanDerWaalsContact C-N 3.33Å; L717-E719 PolarHBondContact O-N 2.83Å; E719-R722 PolarHBondContact O-N 2.85Å; E719-R723 PolarHBondContact O-N 2.81Å; E719-R723 IonicContact OE1-CZ 3.34Å; E719-R723 IonicContact OE1-NH1 2.73Å; E719-R723 PolarHBondContact OE1-NH1 2.95Å; E719-R723 IonicContact OE1-NH2 3.05Å; E719-R723 PolarHBondContact OE1-NH2 3.35Å
720V86.1Confident82.4Confident1 Ų183.5 Ų83.51%0.00640%0.402CS..Hα-helixtrans-67.5-44.6177.5175.20000110.9L710 R716 L717 R722 R723 I724 Y789 F791 F796 V819L710-V720 HydrophobicContact CD2-CG2 4.29Å; R716-V720 WeakPolarHBondContact O-CG2 3.32Å; R716-V720 PolarHBondContact O-N 2.83Å; R716-V720 VanDerWaalsContact O-N 3.09Å; L717-V720 PolarHBondContact O-N 3Å; V720-R722 PolarHBondContact O-N 3.48Å; V720-R723 PolarHBondContact O-N 3.41Å; V720-R723 VanDerWaalsContact O-N 3.11Å; V720-I724 HydrophobicContact CG1-CD1 4.36Å; V720-I724 WeakPolarHBondContact O-CG1 3.26Å; V720-I724 PolarHBondContact O-N 2.84Å; V720-Y789 HydrophobicContact CG2-CD1 4.45Å; V720-Y789 HydrophobicContact CG2-CD2 4.45Å; V720-Y789 HydrophobicContact CG2-CE1 4.39Å; V720-Y789 HydrophobicContact CG2-CE2 4.37Å; V720-Y789 HydrophobicContact CG2-CG 4.48Å; V720-F791 HydrophobicContact CG1-CE2 4.3Å; V720-F791 HydrophobicContact CG1-CZ 4.15Å; V720-F791 HydrophobicContact CG2-CZ 4.42Å; V720-F796 HydrophobicContact CG1-CZ 4.23Å; V720-V819 HydrophobicContact CG1-CB 4.5Å; V720-V819 HydrophobicContact CG1-CG1 3.95Å
721A88Confident81.9Confident24 Ų2483.4 Ų83.420%0.19840%0.404CS..Hα-helixtrans-59.2-36.1174.900000112.3L717 K725 F796L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.34Å; L717-A721 PolarHBondContact O-N 3.02Å; A721-K725 WeakPolarHBondContact O-CB 3.3Å; A721-K725 WeakPolarHBondContact O-CG 3.36Å; A721-K725 PolarHBondContact O-N 2.98Å; A721-F796 HydrophobicContact CB-CE2 4.23Å
722R85.8Confident81.9Confident146 Ų14675.8 Ų75.855%0.55138%0.376SS*.Hα-helixtrans-71-39.4174.4-165.1-172.2-49.2138.511.7111.9D718 E719 V720 I724 K725 L726D718-R722 WeakPolarHBondContact O-CB 3.43Å; D718-R722 PolarHBondContact O-N 2.95Å; E719-R722 PolarHBondContact O-N 2.85Å; V720-R722 PolarHBondContact O-N 3.48Å; R722-I724 VanDerWaalsContact C-N 3.35Å; R722-K725 PolarHBondContact O-N 2.84Å; R722-L726 HydrophobicContact CG-CD1 3.84Å; R722-L726 HydrophobicContact CG-CG 4.21Å; R722-L726 VanDerWaalsContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CB 3.41Å; R722-L726 VanDerWaalsContact O-CG 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.45Å; R722-L726 PolarHBondContact O-N 2.67Å
723R82.4Confident82.1Confident44 Ų4473.4 Ų73.417%0.16636%0.364CS..Hα-helixtrans-62.6-38.5172.5-74.9-162-177.691.19.6112.3E719 V720 G727 V821E719-R723 PolarHBondContact O-N 2.81Å; E719-R723 IonicContact OE1-CZ 3.34Å; E719-R723 IonicContact OE1-NH1 2.73Å; E719-R723 PolarHBondContact OE1-NH1 2.95Å; E719-R723 IonicContact OE1-NH2 3.05Å; E719-R723 PolarHBondContact OE1-NH2 3.35Å; V720-R723 PolarHBondContact O-N 3.41Å; V720-R723 VanDerWaalsContact O-N 3.11Å; R723-G727 PolarHBondContact O-N 3.14Å; R723-V821 HydrophobicContact CB-CB 4.29Å; R723-V821 HydrophobicContact CB-CG1 4.15Å; R723-V821 HydrophobicContact CB-CG2 4.26Å
724I86Confident82.2Confident13 Ų1369.3 Ų69.37%0.06734%0.342CS..Hα-helixtrans-60.9-52.4171.8-62.1165.6000110V720 R722 L726 G727 F732 I734 F796 F800 V819 V821V720-I724 HydrophobicContact CG1-CD1 4.36Å; V720-I724 WeakPolarHBondContact O-CG1 3.26Å; V720-I724 PolarHBondContact O-N 2.84Å; R722-I724 VanDerWaalsContact C-N 3.35Å; I724-L726 PolarHBondContact O-N 3.2Å; I724-G727 PolarHBondContact O-N 3.24Å; I724-F732 HydrophobicContact CG2-CD1 4.41Å; I724-F732 HydrophobicContact CG2-CD2 4.11Å; I724-F732 HydrophobicContact CG2-CE1 4.27Å; I724-F732 HydrophobicContact CG2-CE2 3.97Å; I724-F732 HydrophobicContact CG2-CG 4.33Å; I724-F732 HydrophobicContact CG2-CZ 4.04Å; I724-I734 HydrophobicContact CD1-CD1 4.11Å; I724-I734 HydrophobicContact CG2-CD1 4.22Å; I724-F796 HydrophobicContact CD1-CZ 4.43Å; I724-F800 HydrophobicContact CD1-CE1 4.31Å; I724-F800 HydrophobicContact CD1-CZ 3.9Å; I724-V819 HydrophobicContact CD1-CG1 3.8Å; I724-V819 HydrophobicContact CD1-CG2 4.25Å; I724-V819 HydrophobicContact CG1-CG1 3.87Å; I724-V821 HydrophobicContact CG1-CG1 4.24Å
725K83.2Confident82.4Confident181 Ų18163.6 Ų63.679%0.78732%0.315SS*.Hα-helixtrans-69.1-26.8-176.2-71.7176.2179.9-178.10115.2A721 R722A721-K725 WeakPolarHBondContact O-CB 3.3Å; A721-K725 WeakPolarHBondContact O-CG 3.36Å; A721-K725 PolarHBondContact O-N 2.98Å; R722-K725 PolarHBondContact O-N 2.84Å
726L78Confident82.6Confident141 Ų14160.1 Ų60.174%0.73829%0.287SS*.Hα-helixtrans-86.2-19.2173.2-69.5176.4000112.4R722 I724R722-L726 HydrophobicContact CG-CD1 3.84Å; R722-L726 HydrophobicContact CG-CG 4.21Å; R722-L726 VanDerWaalsContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CB 3.41Å; R722-L726 VanDerWaalsContact O-CG 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.45Å; R722-L726 PolarHBondContact O-N 2.67Å; I724-L726 PolarHBondContact O-N 3.2Å
727G69.3Low82.9Confident21 Ų2154.7 Ų54.722%0.21627%0.267CS..SBendtrans-68.2136.6173.700000111.3R723 I724 S731R723-G727 PolarHBondContact O-N 3.14Å; I724-G727 PolarHBondContact O-N 3.24Å; G727-S731 WeakPolarHBondContact CA-OG 3.46Å
728R68.3Low83.1Confident200 Ų20054 Ų5476%0.75526%0.263SS*.  trans-63.5153.4158.7-65.5-177.9-177.8-179.60.3108.8D730 S731 F732R728-D730 PolarHBondContact O-N 3.34Å; R728-S731 PolarHBondContact N-OG 3.23Å; R728-S731 WeakPolarHBondContact O-CB 3.49Å; R728-S731 PolarHBondContact O-N 3.09Å; R728-S731 PolarHBondContact O-OG 2.98Å; R728-F732 WeakPolarHBondContact O-CD1 3.47Å
729P64Low83.2Confident83 Ų8354 Ų5454%0.53926%0.261SS..G310 helixtrans-54.1-28.8-179.220.6-33.4000113.7G683 S731G683-P729 PolarHBondContact N-O 3.14Å; P729-S731 VanDerWaalsContact C-N 3.29Å; P729-S731 PolarHBondContact O-N 3.4Å
730D68.7Low83Confident120 Ų12052 Ų5264%0.64225%0.251SS*.G310 helixtrans-83.47.6176.5-46.5-68.5000114.9Y686 R728Y686-D730 VanDerWaalsContact CB-O 3.27Å; Y686-D730 WeakPolarHBondContact CB-O 3.44Å; R728-D730 PolarHBondContact O-N 3.34Å
731S78.3Confident82.6Confident26 Ų2654.8 Ų54.818%0.18227%0.27CS..G310 helixtrans-123.50.6-175.568.70000114.4G727 R728 P729 N822G727-S731 WeakPolarHBondContact CA-OG 3.46Å; R728-S731 PolarHBondContact N-OG 3.23Å; R728-S731 WeakPolarHBondContact O-CB 3.49Å; R728-S731 PolarHBondContact O-N 3.09Å; R728-S731 PolarHBondContact O-OG 2.98Å; P729-S731 VanDerWaalsContact C-N 3.29Å; P729-S731 PolarHBondContact O-N 3.4Å; S731-N822 PolarHBondContact O-ND2 3.02Å
732F86.5Confident81.6Confident16 Ų1657.5 Ų57.57%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-136.2159.5167.471.4-96.1000110.7E681 G683 I724 R728 I734 I820 V821E681-F732 HydrophobicContact CG-CE2 4.29Å; G683-F732 PolarHBondContact N-O 3.11Å; I724-F732 HydrophobicContact CG2-CD1 4.41Å; I724-F732 HydrophobicContact CG2-CD2 4.11Å; I724-F732 HydrophobicContact CG2-CE1 4.27Å; I724-F732 HydrophobicContact CG2-CE2 3.97Å; I724-F732 HydrophobicContact CG2-CG 4.33Å; I724-F732 HydrophobicContact CG2-CZ 4.04Å; R728-F732 WeakPolarHBondContact O-CD1 3.47Å; F732-I734 HydrophobicContact CD2-CD1 4.3Å; F732-I734 HydrophobicContact CD2-CG1 3.94Å; F732-I734 HydrophobicContact CE2-CD1 4.16Å; F732-I734 HydrophobicContact CE2-CG1 4.15Å; F732-I820 CarbonylContact C-O 3.55Å; F732-I820 WeakPolarHBondContact CA-O 3.48Å; F732-I820 WeakPolarHBondContact CB-O 3.37Å; F732-V821 HydrophobicContact CB-CG1 3.92Å
733A88.4Confident80.4Confident0 Ų056.2 Ų56.20%029%0.288CS..EExtended strand (participates in β ladder)trans-142.2134.4168.900000109.7Y686 F687 I820Y686-A733 HydrophobicContact CD1-CB 4.37Å; F687-A733 HydrophobicContact CB-CB 4.24Å; A733-I820 PolarHBondContact N-O 2.92Å; A733-I820 PolarHBondContact O-N 2.85Å
734I91Very high78.9Confident0 Ų066 Ų660%033%0.325CS..EExtended strand (participates in β ladder)trans-116.3124.5177.4-48.3-173000107.8L680 E681 I724 F732 F800 V817 I818 V819L680-I734 HydrophobicContact CB-CG2 4.49Å; L680-I734 WeakPolarHBondContact CB-O 3.34Å; L680-I734 HydrophobicContact CD1-CG2 4.27Å; L680-I734 PolarHBondContact N-O 3.1Å; E681-I734 HydrophobicContact CB-CB 4.12Å; E681-I734 HydrophobicContact CB-CD1 4.35Å; E681-I734 HydrophobicContact CB-CG1 4.36Å; E681-I734 PolarHBondContact N-O 3.18Å; E681-I734 VanDerWaalsContact N-O 3.15Å; E681-I734 PolarHBondContact O-N 2.83Å; I724-I734 HydrophobicContact CD1-CD1 4.11Å; I724-I734 HydrophobicContact CG2-CD1 4.22Å; F732-I734 HydrophobicContact CD2-CD1 4.3Å; F732-I734 HydrophobicContact CD2-CG1 3.94Å; F732-I734 HydrophobicContact CE2-CD1 4.16Å; F732-I734 HydrophobicContact CE2-CG1 4.15Å; I734-F800 HydrophobicContact CD1-CD1 3.47Å; I734-F800 VanDerWaalsContact CD1-CD1 3.47Å; I734-F800 HydrophobicContact CD1-CE1 3.41Å; I734-F800 VanDerWaalsContact CD1-CE1 3.41Å; I734-F800 HydrophobicContact CD1-CG 4.3Å; I734-F800 HydrophobicContact CD1-CZ 4.2Å; I734-F800 HydrophobicContact CG2-CB 4.12Å; I734-F800 HydrophobicContact CG2-CD1 4.16Å; I734-F800 HydrophobicContact CG2-CG 4.02Å; I734-V817 HydrophobicContact CG2-CG1 3.8Å; I734-I818 CarbonylContact C-O 3.52Å; I734-I818 WeakPolarHBondContact CA-O 3.46Å; I734-V819 HydrophobicContact CG2-CG2 4.37Å
735L91.8Very high77Confident0 Ų074.4 Ų74.40%036%0.364CS..EExtended strand (participates in β ladder)trans-126.3141.7-170.8-47172.9000110.5L661 L677 F678 L679 F687 V817 I818 I820L661-L735 HydrophobicContact CD1-CD2 3.82Å; L677-L735 HydrophobicContact CB-CD1 4.32Å; L677-L735 HydrophobicContact CD1-CD1 4.03Å; F678-L735 CarbonylContact O-C 3.58Å; F678-L735 WeakPolarHBondContact O-CA 3.37Å; F678-L735 WeakPolarHBondContact O-CB 3.49Å; L679-L735 HydrophobicContact CD1-CD2 3.86Å; F687-L735 HydrophobicContact CD2-CD1 3.76Å; F687-L735 HydrophobicContact CE2-CD1 3.43Å; F687-L735 VanDerWaalsContact CE2-CD1 3.43Å; F687-L735 HydrophobicContact CZ-CD1 4.06Å; L735-V817 WeakPolarHBondContact O-CA 3.48Å; L735-I818 HydrophobicContact CB-CB 4.28Å; L735-I818 PolarHBondContact N-O 2.68Å; L735-I818 PolarHBondContact O-N 3.05Å; L735-I820 HydrophobicContact CD1-CD1 3.89Å
736L91.4Very high75.5Confident0 Ų067.1 Ų67.10%034%0.337CS..EExtended strand (participates in β ladder)trans-84.5130.4163.2173.564.7000108.7L650 A654 L658 L677 F678 L680 L738 L801 H815L650-L736 HydrophobicContact CD2-CD1 4.14Å; L650-L736 HydrophobicContact CD2-CD2 3.52Å; L650-L736 HydrophobicContact CD2-CG 4.4Å; A654-L736 HydrophobicContact CB-CD2 3.8Å; L658-L736 HydrophobicContact CD1-CB 4.43Å; L658-L736 HydrophobicContact CD1-CD2 3.82Å; L677-L736 WeakPolarHBondContact CA-O 3.18Å; F678-L736 HydrophobicContact CB-CB 4.39Å; F678-L736 PolarHBondContact N-O 2.78Å; F678-L736 PolarHBondContact O-N 3.34Å; L680-L736 HydrophobicContact CD1-CB 3.94Å; L680-L736 HydrophobicContact CD2-CB 4.07Å; L680-L736 HydrophobicContact CG-CB 3.9Å; L736-L738 HydrophobicContact CD1-CD2 3.99Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4.08Å; L736-L738 HydrophobicContact CD2-CD2 4.36Å; L736-L738 HydrophobicContact CD2-CG 4.23Å; L736-L738 HydrophobicContact CG-CD1 4.4Å; L736-L738 HydrophobicContact CG-CD2 4.12Å; L736-L738 HydrophobicContact CG-CG 4.01Å; L736-L801 HydrophobicContact CD1-CD2 4.32Å; L736-H815 HydrophobicContact CD1-CB 3.99Å
737A92.1Very high74.1Confident1 Ų164.2 Ų64.21%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-114124.7177.500000110.5T675 D676 L677 H815 M816 I818T675-A737 HydrophobicContact CG2-CB 3.84Å; D676-A737 WeakPolarHBondContact O-CA 3.27Å; L677-A737 HydrophobicContact CD2-CB 3.37Å; A737-H815 CarbonylContact O-C 3.58Å; A737-H815 WeakPolarHBondContact O-CA 3.43Å; A737-M816 HydrophobicContact CB-CB 4.04Å; A737-M816 PolarHBondContact N-O 3.04Å; A737-M816 PolarHBondContact O-N 3.05Å; A737-I818 HydrophobicContact CB-CD1 3.84Å; A737-I818 HydrophobicContact CB-CG1 3.95Å
738L91.2Very high73.1Confident5 Ų566.6 Ų66.63%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-126.2163.8-176.2-61.7179.4000112L650 A654 T675 D676 F678 L736 G740 L758 H815L650-L738 HydrophobicContact CD2-CD1 4.3Å; L650-L738 HydrophobicContact CD2-CD2 3.94Å; A654-L738 HydrophobicContact CB-CD1 3.48Å; A654-L738 VanDerWaalsContact CB-CD1 3.48Å; T675-L738 WeakPolarHBondContact CA-O 3.46Å; D676-L738 PolarHBondContact N-O 2.84Å; D676-L738 PolarHBondContact O-N 2.82Å; F678-L738 HydrophobicContact CD2-CD1 4.2Å; F678-L738 HydrophobicContact CD2-CG 4.46Å; F678-L738 HydrophobicContact CE2-CB 4.3Å; F678-L738 HydrophobicContact CE2-CD1 3.92Å; F678-L738 HydrophobicContact CE2-CG 4.34Å; L736-L738 HydrophobicContact CD1-CD2 3.99Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4.08Å; L736-L738 HydrophobicContact CD2-CD2 4.36Å; L736-L738 HydrophobicContact CD2-CG 4.23Å; L736-L738 HydrophobicContact CG-CD1 4.4Å; L736-L738 HydrophobicContact CG-CD2 4.12Å; L736-L738 HydrophobicContact CG-CG 4.01Å; L738-G740 PolarHBondContact O-N 2.95Å; L738-L758 VanDerWaalsContact C-CD2 3.42Å; L738-H815 HydrophobicContact CD2-CB 3.61Å
739Q89.9Confident72.5Confident68 Ų6860.3 Ų60.332%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-58.7105.8178.3176.958.576.600110.8P674 L757P674-Q739 PolarHBondContact O-NE2 3.11Å; Q739-L757 HydrophobicContact CG-CD2 4.46Å; Q739-L757 VanDerWaalsContact OE1-CA 3.3Å
740G83.3Confident71.9Confident1 Ų161 Ų611%0.0133%0.329CS..  trans-74.5157.6175.300000111.7P674 D676 L738 V742P674-G740 PolarHBondContact O-N 3.31Å; D676-G740 VanDerWaalsContact OD2-CA 3.29Å; D676-G740 WeakPolarHBondContact OD2-CA 3.31Å; L738-G740 PolarHBondContact O-N 2.95Å; G740-V742 PolarHBondContact O-N 3.33Å
741P77.2Confident71Confident60 Ų6061.5 Ų61.539%0.3934%0.338SS..  trans-58.9134.2179.8-2533.8000112.7D676 D743D676-P741 WeakPolarHBondContact OD2-CD 3.31Å; P741-D743 VanDerWaalsContact C-N 3.32Å
742V68.1Low70.1Confident82 Ų8263.4 Ų63.450%0.49736%0.362SS..  trans-87.8-3.2-175.2-168.10000112.3P674 G740 V755 L757P674-V742 HydrophobicContact CG-CG2 4.1Å; G740-V742 PolarHBondContact O-N 3.33Å; V742-V755 HydrophobicContact CG1-CG1 4.04Å; V742-L757 HydrophobicContact CG2-CD2 3.75Å
743D60.5Low69.3Low119 Ų11964.6 Ų64.664%0.63637%0.369SS*.SBendtrans-74.7156.6-166.1-151.1-11.3000114.4P741 Q745 A746P741-D743 VanDerWaalsContact C-N 3.32Å; D743-Q745 PolarHBondContact O-N 3.36Å; D743-A746 PolarHBondContact O-N 2.96Å
744R50.3Low68.9Low249 Ų24969.8 Ų69.894%0.9439%0.393SS*.THydrogen-bonded Turntrans-65.3-2.3-167.3-69.8-177.9170.8-178.5-1.7115.9
745Q46.1Very low68.6Low190 Ų19072.7 Ų72.789%0.88841%0.41SS*.THydrogen-bonded Turntrans-92.12.8-179.7-67.3-173.6-15.600114.3D743D743-Q745 PolarHBondContact O-N 3.36Å
746A50.4Low68.3Low28 Ų2877.8 Ų77.823%0.23143%0.43CS..SBendtrans-67.7147.517200000111.8F665 D743F665-A746 HydrophobicContact CE2-CB 4.26Å; F665-A746 HydrophobicContact CZ-CB 3.7Å; D743-A746 PolarHBondContact O-N 2.96Å
747P48.9Very low68.2Low79 Ų7980.3 Ų80.351%0.51344%0.443SS..SBendtrans-59.1150178.124.9-34.3000111.9L749P747-L749 PolarHBondContact O-N 2.91Å
748G49.6Very low68.1Low71 Ų7180.3 Ų80.373%0.73244%0.443SS*.PPolyproline II helixtrans-47.3124.8-159.600000116
749L53.9Low68Low68 Ų6885.9 Ų85.936%0.35646%0.464SS..PPolyproline II helixtrans-90131.6172.2-78.3154000110.7F665 P747 V755F665-L749 HydrophobicContact CD1-CD2 4.09Å; F665-L749 HydrophobicContact CD2-CD2 4.16Å; F665-L749 HydrophobicContact CE1-CD1 3.97Å; F665-L749 HydrophobicContact CE1-CD2 3.96Å; F665-L749 HydrophobicContact CE1-CG 4.34Å; F665-L749 HydrophobicContact CE2-CD2 4.03Å; F665-L749 HydrophobicContact CE2-CG 4.24Å; F665-L749 HydrophobicContact CG-CD2 4.19Å; F665-L749 HydrophobicContact CZ-CD1 3.8Å; F665-L749 HydrophobicContact CZ-CD2 3.92Å; F665-L749 HydrophobicContact CZ-CG 3.96Å; P747-L749 PolarHBondContact O-N 2.91Å; L749-V755 HydrophobicContact CD1-CG2 3.54Å
750E53.2Low68.1Low99 Ų9986.3 Ų86.346%0.46347%0.465SS..PPolyproline II helixtrans-52134.3176.1-78.8-77.4104.400112.9Q700 G752 L753Q700-E750 PolarHBondContact NE2-OE1 3.44Å; E750-G752 PolarHBondContact O-N 2.79Å; E750-L753 HydrophobicContact CB-CD1 4.45Å; E750-L753 PolarHBondContact O-N 3Å
751P48.7Very low68.5Low129 Ų12986.3 Ų86.384%0.83847%0.465SS*.THydrogen-bonded Turntrans-67.9100.7-177.427.9-34.6000111.5
752G60.6Low69.2Low66 Ų6683.4 Ų83.468%0.6845%0.446SS*.THydrogen-bonded Turntrans139.8-12.8175.700000115.1E750E750-G752 PolarHBondContact O-N 2.79Å
753L69.8Low70.4Confident41 Ų4182.2 Ų82.222%0.21544%0.439CS..  trans-83.1124.2173.3-66.4178.8000111.1K669 E750 V755K669-L753 WeakPolarHBondContact O-CD2 3.41Å; E750-L753 HydrophobicContact CB-CD1 4.45Å; E750-L753 PolarHBondContact O-N 3Å; L753-V755 PolarHBondContact O-N 2.85Å
754Q79.2Confident71.9Confident110 Ų11080.2 Ų80.251%0.51442%0.423SS..EExtended strand (participates in β ladder)trans-76.8113.9173.7-67.4-176-8.600110.1N670 S671 S672 R756N670-Q754 PolarHBondContact O-N 3.23Å; S671-Q754 CarbonylContact C-O 3.47Å; S671-Q754 VanDerWaalsContact CA-O 3.28Å; S671-Q754 WeakPolarHBondContact CA-O 3.48Å; S672-Q754 PolarHBondContact N-O 3.3Å; Q754-R756 PolarHBondContact O-N 3.03Å
755V83.8Confident73.9Confident60 Ų6068.5 Ų68.536%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-64.7131.5168.7-174.10000109.1S672 P674 V742 L749 L753S672-V755 CarbonylContact O-C 3.59Å; S672-V755 WeakPolarHBondContact O-CA 3.35Å; P674-V755 HydrophobicContact CG-CG1 4.29Å; V742-V755 HydrophobicContact CG1-CG1 4.04Å; L749-V755 HydrophobicContact CD1-CG2 3.54Å; L753-V755 PolarHBondContact O-N 2.85Å
756R86Confident76Confident107 Ų10765.1 Ų65.140%0.40436%0.358SS..  trans-141.6150.6-179-68.8-174.8180-149.8-0.8109.8S671 S672 F673 P674 Q754S671-R756 PolarHBondContact OG-NE 3.17Å; S672-R756 PolarHBondContact O-N 2.89Å; F673-R756 WeakPolarHBondContact CA-O 3.33Å; F673-R756 HydrophobicContact CD1-CB 3.9Å; F673-R756 WeakPolarHBondContact CD1-O 3.19Å; F673-R756 HydrophobicContact CE1-CB 3.68Å; P674-R756 WeakPolarHBondContact CD-O 3.14Å; Q754-R756 PolarHBondContact O-N 3.03Å
757L89.3Confident78Confident53 Ų5368.9 Ų68.928%0.27738%0.375SS..  trans-61.5144.1174.9-65.2169.4000111.4F673 Q739 V742 R759 H760F673-L757 WeakPolarHBondContact CD1-O 3.33Å; Q739-L757 HydrophobicContact CG-CD2 4.46Å; Q739-L757 VanDerWaalsContact OE1-CA 3.3Å; V742-L757 HydrophobicContact CG2-CD2 3.75Å; L757-R759 HydrophobicContact CB-CG 3.88Å; L757-R759 PolarHBondContact O-N 3.28Å; L757-R759 VanDerWaalsContact O-N 3.17Å; L757-H760 WeakPolarHBondContact O-CB 3.42Å; L757-H760 PolarHBondContact O-N 3.05Å
758L90Very high79.9Confident1 Ų169.8 Ų69.81%0.00537%0.37CS..Hα-helixtrans-53.8-35.3-179.9179.561.5000111.9T675 L738 H760 L761 V762 M816T675-L758 HydrophobicContact CG2-CD2 4.24Å; L738-L758 VanDerWaalsContact C-CD2 3.42Å; L758-H760 PolarHBondContact O-N 2.73Å; L758-L761 HydrophobicContact CD1-CB 4.41Å; L758-L761 HydrophobicContact CD1-CD2 4.17Å; L758-L761 WeakPolarHBondContact O-CA 3.5Å; L758-L761 WeakPolarHBondContact O-CB 3.22Å; L758-L761 PolarHBondContact O-N 3.42Å; L758-V762 HydrophobicContact CG-CG2 4.28Å; L758-V762 PolarHBondContact O-N 3.19Å; L758-M816 HydrophobicContact CD1-SD 4.02Å
759R90Very high81.9Confident123 Ų12374.1 Ų74.146%0.46437%0.372SS..Hα-helixtrans-46.7-39.1172.574.2177.171.2155.9-2.1112.7L757 L761 V762 T763 E814L757-R759 HydrophobicContact CB-CG 3.88Å; L757-R759 PolarHBondContact O-N 3.28Å; L757-R759 VanDerWaalsContact O-N 3.17Å; R759-L761 VanDerWaalsContact C-N 3.32Å; R759-L761 PolarHBondContact O-N 3.12Å; R759-V762 WeakPolarHBondContact O-CB 3.46Å; R759-V762 PolarHBondContact O-N 3.08Å; R759-T763 PolarHBondContact O-N 2.98Å; R759-T763 PolarHBondContact O-OG1 2.67Å; R759-E814 HydrophobicContact CB-CB 3.91Å; R759-E814 HydrophobicContact CB-CG 3.6Å
760H92Very high83.7Confident77 Ų7771 Ų7136%0.35636%0.355SS..Hα-helixtrans-69.5-27.8-179.9-62.6155.1000113.3F673 L757 L758 Y764F673-H760 HydrophobicContact CE1-CB 4.05Å; L757-H760 WeakPolarHBondContact O-CB 3.42Å; L757-H760 PolarHBondContact O-N 3.05Å; L758-H760 PolarHBondContact O-N 2.73Å; H760-Y764 VanDerWaalsContact O-CB 3.24Å; H760-Y764 WeakPolarHBondContact O-CB 3.25Å; H760-Y764 PolarHBondContact O-N 3.21Å
761L91.6Very high85.6Confident0 Ų066.2 Ų66.20%033%0.333CS..Hα-helixtrans-75.8-42.6169.7-179.961.6000110.7F666 L668 F673 I706 L758 R759 Y764 L765 M816F666-L761 HydrophobicContact CB-CD2 4.01Å; L668-L761 HydrophobicContact CD2-CD1 4.06Å; F673-L761 HydrophobicContact CD1-CB 3.93Å; F673-L761 HydrophobicContact CD2-CB 4.02Å; F673-L761 HydrophobicContact CD2-CD1 4.44Å; F673-L761 HydrophobicContact CD2-CD2 3.94Å; F673-L761 HydrophobicContact CD2-CG 4.36Å; F673-L761 HydrophobicContact CE1-CB 3.96Å; F673-L761 HydrophobicContact CE2-CB 4.06Å; F673-L761 HydrophobicContact CE2-CD1 4.11Å; F673-L761 HydrophobicContact CE2-CD2 4.43Å; F673-L761 HydrophobicContact CE2-CG 4.43Å; F673-L761 HydrophobicContact CG-CB 3.97Å; F673-L761 HydrophobicContact CG-CD2 4.29Å; F673-L761 HydrophobicContact CZ-CB 4.03Å; I706-L761 HydrophobicContact CD1-CD1 3.94Å; I706-L761 HydrophobicContact CD1-CD2 3.8Å; I706-L761 HydrophobicContact CD1-CG 4.48Å; L758-L761 HydrophobicContact CD1-CB 4.41Å; L758-L761 HydrophobicContact CD1-CD2 4.17Å; L758-L761 WeakPolarHBondContact O-CA 3.5Å; L758-L761 WeakPolarHBondContact O-CB 3.22Å; L758-L761 PolarHBondContact O-N 3.42Å; R759-L761 VanDerWaalsContact C-N 3.32Å; R759-L761 PolarHBondContact O-N 3.12Å; L761-Y764 PolarHBondContact O-N 3.35Å; L761-L765 HydrophobicContact CD1-CD1 4.02Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.47Å; L761-M816 HydrophobicContact CD2-SD 4.17Å; L761-M816 HydrophobicContact CG-SD 4.26Å
762V92.1Very high87.7Confident0 Ų060.1 Ų60.10%029%0.293CS..Hα-helixtrans-56.9-54.8175.5178.70000111L758 R759 Y764 L765 R766 P792 P793 E814 M816L758-V762 HydrophobicContact CG-CG2 4.28Å; L758-V762 PolarHBondContact O-N 3.19Å; R759-V762 WeakPolarHBondContact O-CB 3.46Å; R759-V762 PolarHBondContact O-N 3.08Å; V762-Y764 VanDerWaalsContact C-N 3.31Å; V762-Y764 PolarHBondContact O-N 3.28Å; V762-L765 PolarHBondContact O-N 3.15Å; V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.44Å; V762-R766 WeakPolarHBondContact O-CG 3.37Å; V762-R766 PolarHBondContact O-N 3.47Å; V762-P792 HydrophobicContact CG1-CB 4.48Å; V762-P793 VanDerWaalsContact CG1-CD 3.4Å; V762-P793 HydrophobicContact CG1-CG 4Å; V762-E814 VanDerWaalsContact CG1-OE2 3.23Å; V762-E814 WeakPolarHBondContact CG1-OE2 3.47Å; V762-M816 HydrophobicContact CG2-CG 3.58Å; V762-M816 HydrophobicContact CG2-SD 3.96Å
763T92.3Very high89.1Confident56 Ų5657.2 Ų57.234%0.34426%0.262SS..Hα-helixtrans-60.2-39.6177.6-42.90000111.4R759 N767R759-T763 PolarHBondContact O-N 2.98Å; R759-T763 PolarHBondContact O-OG1 2.67Å; T763-N767 WeakPolarHBondContact O-CB 3.08Å; T763-N767 PolarHBondContact O-N 3.21Å; T763-N767 PolarHBondContact O-OD1 3.24Å
764Y92.4Very high90.1Very high78 Ų7855.4 Ų55.431%0.30625%0.253SS..Hα-helixtrans-62.4-43.1177171.3-96000112.6L668 H760 L761 V762 K768L668-Y764 HydrophobicContact CD2-CD1 3.65Å; L668-Y764 HydrophobicContact CD2-CE1 3.53Å; L668-Y764 HydrophobicContact CD2-CG 4.35Å; H760-Y764 VanDerWaalsContact O-CB 3.24Å; H760-Y764 WeakPolarHBondContact O-CB 3.25Å; H760-Y764 PolarHBondContact O-N 3.21Å; L761-Y764 PolarHBondContact O-N 3.35Å; V762-Y764 VanDerWaalsContact C-N 3.31Å; V762-Y764 PolarHBondContact O-N 3.28Å; Y764-K768 HydrophobicContact CD2-CG 4.43Å; Y764-K768 HydrophobicContact CE2-CG 4.07Å; Y764-K768 WeakPolarHBondContact O-CB 3.41Å; Y764-K768 WeakPolarHBondContact O-CG 3.47Å; Y764-K768 PolarHBondContact O-N 3.3Å
765L91.4Very high90.4Very high2 Ų253 Ų531%0.0125%0.249CC..Hα-helixtrans-72.2-43-179.6-71.5176.5000111.8L761 V762 K768 E769 A770 P792 M816L761-L765 HydrophobicContact CD1-CD1 4.02Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.47Å; V762-L765 PolarHBondContact O-N 3.15Å; L765-K768 CarbonylContact O-C 3.53Å; L765-K768 PolarHBondContact O-N 3.32Å; L765-K768 VanDerWaalsContact O-N 3.13Å; L765-E769 PolarHBondContact O-N 3.33Å; L765-E769 VanDerWaalsContact O-N 3.11Å; L765-A770 WeakPolarHBondContact CB-O 3.17Å; L765-A770 WeakPolarHBondContact CD2-O 3.42Å; L765-A770 PolarHBondContact O-N 3.4Å; L765-P792 HydrophobicContact CB-CB 4.08Å; L765-P792 HydrophobicContact CB-CG 3.96Å; L765-M816 HydrophobicContact CD1-CE 3.35Å; L765-M816 HydrophobicContact CD1-SD 4.32Å
766R90.3Very high90.5Very high120 Ų12050.4 Ų50.445%0.45323%0.232SC..Hα-helixtrans-54.2-54.7169.1-75.5-175.9155.1169.9-15.2111.1V762 K768 E769 P792 P793V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.44Å; V762-R766 WeakPolarHBondContact O-CG 3.37Å; V762-R766 PolarHBondContact O-N 3.47Å; R766-K768 PolarHBondContact O-N 3.03Å; R766-E769 PolarHBondContact O-N 3.09Å; R766-P792 HydrophobicContact CG-CB 3.71Å; R766-P792 HydrophobicContact CG-CG 4.32Å; R766-P793 PolarHBondContact NE-O 3.31Å; R766-P793 VanDerWaalsContact NE-O 3.08Å; R766-P793 PolarHBondContact NH2-O 3.48Å
767N92.7Very high89.8Confident107 Ų10747.5 Ų47.557%0.57223%0.228SC*.THydrogen-bonded Turntrans-67.82.5-179.3-65.63.9000113.7T763T763-N767 WeakPolarHBondContact O-CB 3.08Å; T763-N767 PolarHBondContact O-N 3.21Å; T763-N767 PolarHBondContact O-OD1 3.24Å
768K90Very high88.7Confident98 Ų9846.6 Ų46.643%0.42623%0.228SC..THydrogen-bonded Turntrans-125.55.9176.2-67.9-73.4150.4-84.10112.8Y764 L765 R766 A770Y764-K768 HydrophobicContact CD2-CG 4.43Å; Y764-K768 HydrophobicContact CE2-CG 4.07Å; Y764-K768 WeakPolarHBondContact O-CB 3.41Å; Y764-K768 WeakPolarHBondContact O-CG 3.47Å; Y764-K768 PolarHBondContact O-N 3.3Å; L765-K768 CarbonylContact O-C 3.53Å; L765-K768 PolarHBondContact O-N 3.32Å; L765-K768 VanDerWaalsContact O-N 3.13Å; R766-K768 PolarHBondContact O-N 3.03Å; K768-A770 HydrophobicContact CB-CB 4.39Å; K768-A770 WeakPolarHBondContact O-CB 3.48Å; K768-A770 PolarHBondContact O-N 3.02Å
769E90.8Very high87.1Confident162 Ų16248.9 Ų48.976%0.75725%0.246SC*.THydrogen-bonded Turntrans48.545178.7-62.3167.9152.500111.1M712 L765 R766M712-E769 PolarHBondContact N-O 3.31Å; L765-E769 PolarHBondContact O-N 3.33Å; L765-E769 VanDerWaalsContact O-N 3.11Å; R766-E769 PolarHBondContact O-N 3.09Å
770A92Very high85.6Confident1 Ų150.5 Ų50.51%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-147.3144.4-167.300000113R709 L710 L765 K768R709-A770 HydrophobicContact CB-CB 4.23Å; L710-A770 CarbonylContact O-C 3.53Å; L710-A770 WeakPolarHBondContact O-CA 3.38Å; L710-A770 VanDerWaalsContact O-CB 3.25Å; L710-A770 WeakPolarHBondContact O-CB 3.21Å; L765-A770 WeakPolarHBondContact CB-O 3.17Å; L765-A770 WeakPolarHBondContact CD2-O 3.42Å; L765-A770 PolarHBondContact O-N 3.4Å; K768-A770 HydrophobicContact CB-CB 4.39Å; K768-A770 WeakPolarHBondContact O-CB 3.48Å; K768-A770 PolarHBondContact O-N 3.02Å
771A92.8Very high83.4Confident0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-83.9146.5164.400000110.5R709 L710 A790 F791R709-A771 CarbonylContact C-O 3.42Å; R709-A771 WeakPolarHBondContact CA-O 3.48Å; L710-A771 PolarHBondContact N-O 3.36Å; L710-A771 PolarHBondContact O-N 3.25Å; A771-A790 CarbonylContact C-O 3.56Å; A771-A790 WeakPolarHBondContact CA-O 3.46Å; A771-F791 HydrophobicContact CB-CD1 3.59Å; A771-F791 HydrophobicContact CB-CE1 3.7Å; A771-F791 HydrophobicContact CB-CG 4.08Å; A771-F791 HydrophobicContact CB-CZ 4.3Å
772G92Very high81.6Confident0 Ų061 Ų610%033%0.33CS..EExtended strand (participates in β ladder)trans-71.6145.7166.100000110.3Y789 A790G772-Y789 CarbonylContact O-C 3.47Å; G772-Y789 WeakPolarHBondContact O-CA 3.47Å; G772-A790 PolarHBondContact N-O 3.37Å; G772-A790 PolarHBondContact O-N 3.32Å
773V91.4Very high80.1Confident5 Ų564 Ų643%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-127.5128177.7-179.80000110.4A707 Q708 L710 M787 L788 Y789A707-V773 PolarHBondContact N-O 2.77Å; Q708-V773 HydrophobicContact CB-CB 3.96Å; Q708-V773 HydrophobicContact CB-CG1 4.37Å; Q708-V773 PolarHBondContact N-O 3.09Å; Q708-V773 PolarHBondContact O-N 3.26Å; L710-V773 HydrophobicContact CB-CG2 3.67Å; V773-M787 HydrophobicContact CG1-CE 3.5Å; V773-M787 VanDerWaalsContact CG1-CE 3.5Å; V773-L788 WeakPolarHBondContact CA-O 3.27Å; V773-Y789 HydrophobicContact CG1-CE1 4.42Å; V773-Y789 HydrophobicContact CG2-CD1 3.83Å; V773-Y789 HydrophobicContact CG2-CE1 4.09Å
774V90.3Very high78.7Confident3 Ų364.2 Ų64.22%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-120.4121.7173.2-174.30000108F666 L704 I706 L776 L788F666-V774 HydrophobicContact CE1-CG2 4.29Å; L704-V774 HydrophobicContact CD2-CG1 4.44Å; I706-V774 HydrophobicContact CB-CG2 4.49Å; I706-V774 HydrophobicContact CG1-CG2 3.88Å; V774-L776 HydrophobicContact CG1-CD2 3.8Å; V774-L788 HydrophobicContact CB-CB 4.2Å; V774-L788 HydrophobicContact CB-CD2 4.21Å; V774-L788 HydrophobicContact CG2-CD2 4.07Å; V774-L788 PolarHBondContact N-O 3.15Å; V774-L788 PolarHBondContact O-N 3.13Å
775S86.1Confident77.7Confident61 Ų6161.4 Ų61.443%0.42735%0.346SS..EExtended strand (participates in β ladder)trans-84.9125.4171.1-57.10000109.3M787S775-M787 PolarHBondContact OG-SD 2.84Å
776L84.5Confident77.4Confident4 Ų461.5 Ų61.52%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-105.8122.4178.8-55.2176000108.2V690 L704 V774 A786 L788V690-L776 HydrophobicContact CG1-CB 3.79Å; V690-L776 HydrophobicContact CG1-CD1 3.56Å; V690-L776 HydrophobicContact CG1-CG 4.3Å; L704-L776 HydrophobicContact CD2-CD2 3.94Å; V774-L776 HydrophobicContact CG1-CD2 3.8Å; L776-A786 HydrophobicContact CB-CB 4.28Å; L776-A786 WeakPolarHBondContact CB-O 3.49Å; L776-A786 PolarHBondContact N-O 3.13Å; L776-A786 PolarHBondContact O-N 3.1Å; L776-L788 HydrophobicContact CD1-CB 4Å; L776-L788 HydrophobicContact CD1-CD1 4.16Å; L776-L788 HydrophobicContact CG-CB 4.4Å
777P71.4Confident77.2Confident47 Ų4756.9 Ų56.931%0.30533%0.33SS..  trans-63.5149.1-179.227.4-36.2000111.4L697L697-P777 HydrophobicContact CB-CG 4.31Å; L697-P777 HydrophobicContact CD1-CG 4.35Å; L697-P777 HydrophobicContact CD2-CB 4.1Å; L697-P777 HydrophobicContact CD2-CG 4.14Å
778A65.8Low77.2Confident34 Ų3451.8 Ų51.828%0.28130%0.303SS..  trans-67.7147.8-178.900000112.2K780 T783 P784A778-K780 VanDerWaalsContact C-N 3.27Å; A778-K780 PolarHBondContact O-N 3.43Å; A778-T783 WeakPolarHBondContact CB-O 3.48Å; A778-T783 WeakPolarHBondContact CB-OG1 3.19Å; A778-P784 WeakPolarHBondContact CB-O 3.37Å
779A57.8Low77.3Confident48 Ų4847.9 Ų47.940%0.39729%0.286SS..SBendtrans-68.7-22.6-177.500000114D693D693-A779 HydrophobicContact CB-CB 4.31Å; D693-A779 WeakPolarHBondContact OD2-CB 3.47Å
780K57.4Low77.4Confident157 Ų15740.2 Ų40.268%0.68325%0.25SS*.SBendtrans-144.3147.6179.6-61.2-176.6-178.6-179.30110.5A778 G782 T783A778-K780 VanDerWaalsContact C-N 3.27Å; A778-K780 PolarHBondContact O-N 3.43Å; K780-G782 PolarHBondContact O-N 3.26Å; K780-T783 HydrophobicContact CB-CG2 4.24Å; K780-T783 PolarHBondContact N-OG1 3.01Å; K780-T783 PolarHBondContact O-N 3.43Å; K780-T783 PolarHBondContact O-OG1 3.06Å
781E46.1Very low77.5Confident208 Ų20840.2 Ų40.297%0.97225%0.25SS*.THydrogen-bonded Turntrans-54.4132.2167.2-73.3-175.3121.800110.1
782G54.6Low77.5Confident89 Ų8940.4 Ų40.492%0.91825%0.251SS*.THydrogen-bonded Turntrans84.4-5.6-17600000116.2K780K780-G782 PolarHBondContact O-N 3.26Å
783T59.3Low77.3Confident64 Ų6441 Ų4139%0.39326%0.255SS..SBendtrans-86.5146.5166.450.70000111.4A778 K780A778-T783 WeakPolarHBondContact CB-O 3.48Å; A778-T783 WeakPolarHBondContact CB-OG1 3.19Å; K780-T783 HydrophobicContact CB-CG2 4.24Å; K780-T783 PolarHBondContact N-OG1 3.01Å; K780-T783 PolarHBondContact O-N 3.43Å; K780-T783 PolarHBondContact O-OG1 3.06Å
784P63Low77.1Confident60 Ų6041.8 Ų41.839%0.3926%0.264SS..  trans-62.1151172.627.8-35000110.4A778 T824A778-P784 WeakPolarHBondContact CB-O 3.37Å; P784-T824 HydrophobicContact CB-CG2 3.91Å; P784-T824 HydrophobicContact CG-CG2 3.77Å
785G73Confident76.9Confident19 Ų1949.6 Ų49.620%0.19630%0.3CS..  trans-67.9-178.7171.900000112D823G785-D823 WeakPolarHBondContact O-CB 3.49Å; G785-D823 PolarHBondContact O-N 3.37Å
786A83.5Confident76.9Confident4 Ų447.3 Ų47.33%0.03328%0.283CS..EExtended strand (participates in β ladder)trans-125.8141.6169.500000110.6V690 L776 I820 V821V690-A786 HydrophobicContact CG1-CB 3.62Å; V690-A786 HydrophobicContact CG2-CB 4.21Å; L776-A786 HydrophobicContact CB-CB 4.28Å; L776-A786 WeakPolarHBondContact CB-O 3.49Å; L776-A786 PolarHBondContact N-O 3.13Å; L776-A786 PolarHBondContact O-N 3.1Å; A786-I820 HydrophobicContact CB-CG2 4.45Å; A786-V821 WeakPolarHBondContact CA-O 3.33Å
787M87.3Confident77.1Confident23 Ų2347.2 Ų47.211%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-113.9120.7-178.2-69.6-67.3-82.300109.7V773 S775 Y789 I820 V821 D823V773-M787 HydrophobicContact CG1-CE 3.5Å; V773-M787 VanDerWaalsContact CG1-CE 3.5Å; S775-M787 PolarHBondContact OG-SD 2.84Å; M787-Y789 HydrophobicContact CB-CD2 4.44Å; M787-Y789 HydrophobicContact CB-CE2 3.6Å; M787-I820 WeakPolarHBondContact O-CA 3.47Å; M787-V821 PolarHBondContact N-O 3.2Å; M787-V821 PolarHBondContact O-N 3.41Å; M787-V821 VanDerWaalsContact O-N 3.12Å; M787-D823 HydrophobicContact CG-CB 3.97Å
788L91.3Very high77.8Confident0 Ų048.3 Ų48.30%028%0.283CS..EExtended strand (participates in β ladder)trans-100.8117.8177.7-179.5163.9000108.8F666 L704 V773 V774 L776 A790 I818 I820F666-L788 HydrophobicContact CE1-CD2 4.07Å; F666-L788 HydrophobicContact CZ-CD2 4.41Å; L704-L788 HydrophobicContact CD1-CD1 4.02Å; V773-L788 WeakPolarHBondContact CA-O 3.27Å; V774-L788 HydrophobicContact CB-CB 4.2Å; V774-L788 HydrophobicContact CB-CD2 4.21Å; V774-L788 HydrophobicContact CG2-CD2 4.07Å; V774-L788 PolarHBondContact N-O 3.15Å; V774-L788 PolarHBondContact O-N 3.13Å; L776-L788 HydrophobicContact CD1-CB 4Å; L776-L788 HydrophobicContact CD1-CD1 4.16Å; L776-L788 HydrophobicContact CG-CB 4.4Å; L788-A790 HydrophobicContact CD2-CB 4.27Å; L788-I818 HydrophobicContact CD1-CG2 4.03Å; L788-I818 HydrophobicContact CD2-CG2 3.55Å; L788-I818 HydrophobicContact CG-CG2 3.5Å; L788-I818 VanDerWaalsContact CG-CG2 3.5Å; L788-I820 HydrophobicContact CB-CG1 3.91Å; L788-I820 HydrophobicContact CD1-CD1 3.9Å; L788-I820 HydrophobicContact CD1-CG1 3.97Å; L788-I820 HydrophobicContact CG-CD1 4.23Å; L788-I820 HydrophobicContact CG-CG1 3.73Å
789Y92.3Very high78.8Confident17 Ų1752.5 Ų52.57%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-107.5115.8178.3-58.5-87.1000109.4L710 V720 G772 V773 M787 F791 I818 V819 V821L710-Y789 HydrophobicContact CD2-CD1 3.75Å; L710-Y789 HydrophobicContact CD2-CE1 3.77Å; V720-Y789 HydrophobicContact CG2-CD1 4.45Å; V720-Y789 HydrophobicContact CG2-CD2 4.45Å; V720-Y789 HydrophobicContact CG2-CE1 4.39Å; V720-Y789 HydrophobicContact CG2-CE2 4.37Å; V720-Y789 HydrophobicContact CG2-CG 4.48Å; G772-Y789 CarbonylContact O-C 3.47Å; G772-Y789 WeakPolarHBondContact O-CA 3.47Å; V773-Y789 HydrophobicContact CG1-CE1 4.42Å; V773-Y789 HydrophobicContact CG2-CD1 3.83Å; V773-Y789 HydrophobicContact CG2-CE1 4.09Å; M787-Y789 HydrophobicContact CB-CD2 4.44Å; M787-Y789 HydrophobicContact CB-CE2 3.6Å; Y789-F791 VanDerWaalsContact CB-CE2 3.44Å; Y789-F791 HydrophobicContact CG-CE2 4.42Å; Y789-I818 CarbonylContact O-C 3.59Å; Y789-I818 WeakPolarHBondContact O-CA 3.41Å; Y789-V819 PolarHBondContact N-O 3.17Å; Y789-V819 PolarHBondContact O-N 3.48Å; Y789-V821 HydrophobicContact CD2-CG2 4.22Å; Y789-V821 HydrophobicContact CE2-CG2 3.69Å
790A93.9Very high80.2Confident1 Ų152.1 Ų52.11%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-101.499.6-179.200000109.8A771 G772 L788 M816 I818A771-A790 CarbonylContact C-O 3.56Å; A771-A790 WeakPolarHBondContact CA-O 3.46Å; G772-A790 PolarHBondContact N-O 3.37Å; G772-A790 PolarHBondContact O-N 3.32Å; L788-A790 HydrophobicContact CD2-CB 4.27Å; A790-M816 HydrophobicContact CB-CE 3.64Å; A790-M816 WeakPolarHBondContact O-CE 3.47Å; A790-I818 HydrophobicContact CB-CD1 4.36Å; A790-I818 HydrophobicContact CB-CG1 4.23Å
791F93.7Very high81.5Confident0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-88.8131.1-176.6-66.3-86.7000111.7M712 L717 V720 A771 Y789 F796 M816 V817 V819M712-F791 HydrophobicContact CE-CD1 4.22Å; M712-F791 HydrophobicContact SD-CD1 4.39Å; L717-F791 HydrophobicContact CD2-CD1 4.37Å; L717-F791 HydrophobicContact CD2-CE1 3.68Å; L717-F791 HydrophobicContact CD2-CZ 4.49Å; V720-F791 HydrophobicContact CG1-CE2 4.3Å; V720-F791 HydrophobicContact CG1-CZ 4.15Å; V720-F791 HydrophobicContact CG2-CZ 4.42Å; A771-F791 HydrophobicContact CB-CD1 3.59Å; A771-F791 HydrophobicContact CB-CE1 3.7Å; A771-F791 HydrophobicContact CB-CG 4.08Å; A771-F791 HydrophobicContact CB-CZ 4.3Å; Y789-F791 VanDerWaalsContact CB-CE2 3.44Å; Y789-F791 HydrophobicContact CG-CE2 4.42Å; F791-F796 AromaticContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CE1 4.22Å; F791-F796 HydrophobicContact CD2-CD1 4.22Å; F791-F796 AromaticContact CD2-CE1 3.9Å; F791-F796 HydrophobicContact CD2-CE1 3.9Å; F791-F796 AromaticContact CE1-CD1 3.95Å; F791-F796 HydrophobicContact CE1-CD1 3.95Å; F791-F796 AromaticContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE2-CD1 4.25Å; F791-F796 AromaticContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CG-CD1 4.04Å; F791-F796 HydrophobicContact CG-CE1 4.2Å; F791-F796 HydrophobicContact CZ-CD1 4.13Å; F791-F796 AromaticContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CZ 4.47Å; F791-M816 WeakPolarHBondContact O-CA 3.45Å; F791-M816 WeakPolarHBondContact O-CB 3.31Å; F791-V817 WeakPolarHBondContact CB-O 3.49Å; F791-V817 PolarHBondContact N-O 2.68Å; F791-V817 PolarHBondContact O-N 2.85Å; F791-V819 HydrophobicContact CD2-CG2 4.16Å; F791-V819 HydrophobicContact CE2-CB 4.12Å; F791-V819 HydrophobicContact CE2-CG2 3.96Å
792P92.3Very high83.2Confident4 Ų439 Ų393%0.02623%0.228CC..PPolyproline II helixtrans-68164.6166.530.9-34.8000111.4M712 V762 L765 R766 G794M712-P792 HydrophobicContact SD-CG 3.88Å; V762-P792 HydrophobicContact CG1-CB 4.48Å; L765-P792 HydrophobicContact CB-CB 4.08Å; L765-P792 HydrophobicContact CB-CG 3.96Å; R766-P792 HydrophobicContact CG-CB 3.71Å; R766-P792 HydrophobicContact CG-CG 4.32Å; P792-G794 PolarHBondContact O-N 2.98Å
793P89Confident84.4Confident13 Ų1337.8 Ų37.88%0.08421%0.209CC..SBendtrans-68.4119.9179.85.12.1000112.3V762 R766 S797 H815V762-P793 VanDerWaalsContact CG1-CD 3.4Å; V762-P793 HydrophobicContact CG1-CG 4Å; R766-P793 PolarHBondContact NE-O 3.31Å; R766-P793 VanDerWaalsContact NE-O 3.08Å; R766-P793 PolarHBondContact NH2-O 3.48Å; P793-S797 WeakPolarHBondContact CA-OG 3.46Å; P793-H815 WeakPolarHBondContact CD-O 3.47Å; P793-H815 VanDerWaalsContact CG-O 3.27Å; P793-H815 WeakPolarHBondContact CG-O 3.34Å
794G85.8Confident85.3Confident21 Ų2134.8 Ų34.822%0.21619%0.191CC..SBendtrans-166.3-173.1-179.500000111P792 F796 S797 Q798P792-G794 PolarHBondContact O-N 2.98Å; G794-F796 VanDerWaalsContact C-N 3.34Å; G794-F796 PolarHBondContact O-N 3.3Å; G794-S797 PolarHBondContact N-OG 3.2Å; G794-S797 PolarHBondContact O-N 2.95Å; G794-S797 VanDerWaalsContact O-N 3.14Å; G794-S797 PolarHBondContact O-OG 3.13Å; G794-Q798 VanDerWaalsContact O-CG 3.3Å; G794-Q798 WeakPolarHBondContact O-CG 3.49Å; G794-Q798 PolarHBondContact O-N 3.39Å
795E86.1Confident86.1Confident167 Ų16734.9 Ų34.978%0.7819%0.185SC*.Hα-helixtrans-54.8-44.6-171.2-61.5-173.1155.800113.8Q798E795-Q798 PolarHBondContact O-N 2.91Å
796F87.6Confident86.4Confident14 Ų1444.3 Ų44.36%0.06122%0.215CC..Hα-helixtrans-62.5-46.1177.7-179.9-104.1000112.7L717 V720 A721 I724 F791 G794 Q798 Q799 F800 V819L717-F796 HydrophobicContact CB-CD2 4.39Å; L717-F796 HydrophobicContact CD1-CB 4.36Å; L717-F796 HydrophobicContact CD2-CB 4.3Å; L717-F796 HydrophobicContact CD2-CD1 4.26Å; L717-F796 HydrophobicContact CD2-CD2 4.45Å; L717-F796 HydrophobicContact CD2-CG 4.08Å; V720-F796 HydrophobicContact CG1-CZ 4.23Å; A721-F796 HydrophobicContact CB-CE2 4.23Å; I724-F796 HydrophobicContact CD1-CZ 4.43Å; F791-F796 AromaticContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CE1 4.22Å; F791-F796 HydrophobicContact CD2-CD1 4.22Å; F791-F796 AromaticContact CD2-CE1 3.9Å; F791-F796 HydrophobicContact CD2-CE1 3.9Å; F791-F796 AromaticContact CE1-CD1 3.95Å; F791-F796 HydrophobicContact CE1-CD1 3.95Å; F791-F796 AromaticContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE2-CD1 4.25Å; F791-F796 AromaticContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CG-CD1 4.04Å; F791-F796 HydrophobicContact CG-CE1 4.2Å; F791-F796 HydrophobicContact CZ-CD1 4.13Å; F791-F796 AromaticContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CZ 4.47Å; G794-F796 VanDerWaalsContact C-N 3.34Å; G794-F796 PolarHBondContact O-N 3.3Å; F796-Q798 VanDerWaalsContact C-N 3.31Å; F796-Q798 PolarHBondContact O-N 3.26Å; F796-Q799 WeakPolarHBondContact O-CB 3.5Å; F796-Q799 PolarHBondContact O-N 3.49Å; F796-F800 HydrophobicContact CD1-CE2 4.27Å; F796-F800 HydrophobicContact CD2-CE2 4.47Å; F796-F800 AromaticContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE2-CE2 4.06Å; F796-F800 HydrophobicContact CE2-CZ 4.27Å; F796-F800 AromaticContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CZ 4.03Å; F796-F800 WeakPolarHBondContact O-CD2 3.18Å; F796-F800 WeakPolarHBondContact O-CE2 3.37Å; F796-V819 HydrophobicContact CE1-CG2 4.45Å
797S87.4Confident86Confident1 Ų147.5 Ų47.51%0.00723%0.234CC..Hα-helixtrans-68.4-32.2-178.475.40000112.1P793 G794 Q799 F800P793-S797 WeakPolarHBondContact CA-OG 3.46Å; G794-S797 PolarHBondContact N-OG 3.2Å; G794-S797 PolarHBondContact O-N 2.95Å; G794-S797 VanDerWaalsContact O-N 3.14Å; G794-S797 PolarHBondContact O-OG 3.13Å; S797-Q799 PolarHBondContact O-N 3.11Å; S797-F800 PolarHBondContact O-N 3.35Å
798Q87.4Confident85.5Confident70 Ų7047.4 Ų47.433%0.32724%0.235SC..Hα-helixtrans-66-20.8179.8-72.4177.744.600113.3G794 E795 F796 F800 L801 Q802G794-Q798 VanDerWaalsContact O-CG 3.3Å; G794-Q798 WeakPolarHBondContact O-CG 3.49Å; G794-Q798 PolarHBondContact O-N 3.39Å; E795-Q798 PolarHBondContact O-N 2.91Å; F796-Q798 VanDerWaalsContact C-N 3.31Å; F796-Q798 PolarHBondContact O-N 3.26Å; Q798-F800 VanDerWaalsContact C-N 3.32Å; Q798-F800 PolarHBondContact O-N 2.99Å; Q798-L801 PolarHBondContact O-N 3.03Å; Q798-Q802 WeakPolarHBondContact O-CG 3.49Å
799Q86.7Confident84.3Confident122 Ų12250.3 Ų50.357%0.5727%0.265SS*.Hα-helixtrans-64-36.9176.2-62.7176.12000111.9F796 S797 L801 Q802F796-Q799 WeakPolarHBondContact O-CB 3.5Å; F796-Q799 PolarHBondContact O-N 3.49Å; S797-Q799 PolarHBondContact O-N 3.11Å; Q799-L801 VanDerWaalsContact C-N 3.35Å; Q799-Q802 WeakPolarHBondContact O-CG 3.42Å
800F85.6Confident83.2Confident41 Ų4154.2 Ų54.218%0.1829%0.287CS..THydrogen-bonded Turntrans-85.1-8.9179.5-51.4-74.4000113.4L680 I724 I734 F796 S797 Q798 V817L680-F800 HydrophobicContact CD1-CB 4.39Å; I724-F800 HydrophobicContact CD1-CE1 4.31Å; I724-F800 HydrophobicContact CD1-CZ 3.9Å; I734-F800 HydrophobicContact CD1-CD1 3.47Å; I734-F800 VanDerWaalsContact CD1-CD1 3.47Å; I734-F800 HydrophobicContact CD1-CE1 3.41Å; I734-F800 VanDerWaalsContact CD1-CE1 3.41Å; I734-F800 HydrophobicContact CD1-CG 4.3Å; I734-F800 HydrophobicContact CD1-CZ 4.2Å; I734-F800 HydrophobicContact CG2-CB 4.12Å; I734-F800 HydrophobicContact CG2-CD1 4.16Å; I734-F800 HydrophobicContact CG2-CG 4.02Å; F796-F800 HydrophobicContact CD1-CE2 4.27Å; F796-F800 HydrophobicContact CD2-CE2 4.47Å; F796-F800 AromaticContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE2-CE2 4.06Å; F796-F800 HydrophobicContact CE2-CZ 4.27Å; F796-F800 AromaticContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CZ 4.03Å; F796-F800 WeakPolarHBondContact O-CD2 3.18Å; F796-F800 WeakPolarHBondContact O-CE2 3.37Å; S797-F800 PolarHBondContact O-N 3.35Å; Q798-F800 VanDerWaalsContact C-N 3.32Å; Q798-F800 PolarHBondContact O-N 2.99Å; F800-V817 HydrophobicContact CB-CG1 4.4Å; F800-V817 HydrophobicContact CD2-CG1 4.2Å
801L84.7Confident82.1Confident1 Ų155.5 Ų55.51%0.00529%0.293CS..THydrogen-bonded Turntrans-105.17.4-176.6-98.3155.8000113.4L680 L736 Q798 Q799 A803 A804 K805 L811 H815 V817L680-L801 HydrophobicContact CD1-CD2 3.42Å; L680-L801 VanDerWaalsContact CD1-CD2 3.42Å; L680-L801 HydrophobicContact CD2-CD2 4.11Å; L680-L801 HydrophobicContact CG-CD2 4.43Å; L736-L801 HydrophobicContact CD1-CD2 4.32Å; Q798-L801 PolarHBondContact O-N 3.03Å; Q799-L801 VanDerWaalsContact C-N 3.35Å; L801-A803 PolarHBondContact O-N 3.22Å; L801-A804 PolarHBondContact O-N 3.12Å; L801-A804 VanDerWaalsContact O-N 3.15Å; L801-K805 PolarHBondContact O-N 3.06Å; L801-L811 HydrophobicContact CB-CD1 4.16Å; L801-L811 HydrophobicContact CD1-CD1 4.32Å; L801-L811 HydrophobicContact CG-CD1 4.35Å; L801-H815 VanDerWaalsContact CD1-CD2 3.44Å; L801-H815 WeakPolarHBondContact CD1-CD2 3.4Å; L801-H815 VanDerWaalsContact CD1-NE2 3.33Å; L801-H815 WeakPolarHBondContact CD1-NE2 3.5Å; L801-V817 HydrophobicContact CD1-CG2 3.72Å; L801-V817 HydrophobicContact CD2-CG2 3.71Å; L801-V817 HydrophobicContact CG-CG2 4.37Å
802Q82.8Confident80.8Confident88 Ų8863 Ų6341%0.41133%0.328SS..Hα-helixtrans-61.5-28.2-177.6-62-69.14.500113.3Q798 Q799 R806Q798-Q802 WeakPolarHBondContact O-CG 3.49Å; Q799-Q802 WeakPolarHBondContact O-CG 3.42Å; Q802-R806 WeakPolarHBondContact O-CD 3.49Å; Q802-R806 VanDerWaalsContact O-CG 3.27Å; Q802-R806 WeakPolarHBondContact O-CG 3.23Å; Q802-R806 PolarHBondContact O-N 3.35Å
803A79.3Confident80.1Confident63 Ų6366.1 Ų66.152%0.52134%0.343SS..Hα-helixtrans-66.8-54.2171.600000111.3L801 K805 R806 T807L801-A803 PolarHBondContact O-N 3.22Å; A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 3.36Å; A803-R806 WeakPolarHBondContact O-CB 3.15Å; A803-R806 PolarHBondContact O-N 3.49Å; A803-T807 PolarHBondContact O-N 3.4Å
804A78.3Confident79.8Confident2 Ų268.7 Ų68.72%0.01735%0.353CS..Hα-helixtrans-57.9-40.6177.600000112.4F653 L801 R806 T807 V808 L811F653-A804 HydrophobicContact CD1-CB 3.89Å; F653-A804 HydrophobicContact CE1-CB 3.65Å; F653-A804 HydrophobicContact CZ-CB 4.26Å; L801-A804 PolarHBondContact O-N 3.12Å; L801-A804 VanDerWaalsContact O-N 3.15Å; A804-R806 VanDerWaalsContact C-N 3.3Å; A804-R806 PolarHBondContact O-N 3.01Å; A804-T807 PolarHBondContact O-N 3.25Å; A804-V808 WeakPolarHBondContact O-CB 3.31Å; A804-V808 PolarHBondContact O-N 3.33Å; A804-L811 HydrophobicContact CB-CD2 4.45Å
805K80.3Confident79.9Confident62 Ų6268 Ų6827%0.2735%0.345SS..Hα-helixtrans-56.7-39.5173.5-76.7-167.9173.6-167.90113.3L801 A803 T807 G809 L811L801-K805 PolarHBondContact O-N 3.06Å; A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 3.36Å; K805-T807 VanDerWaalsContact C-N 3.32Å; K805-G809 WeakPolarHBondContact O-CA 3.32Å; K805-G809 PolarHBondContact O-N 3.17Å; K805-L811 HydrophobicContact CD-CD1 4.48Å; K805-L811 HydrophobicContact CG-CD1 3.52Å; K805-L811 HydrophobicContact CG-CG 3.97Å
806R79.4Confident80.2Confident216 Ų21660.2 Ų60.282%0.81531%0.308SS*.Hα-helixtrans-71.4-26.7-179.1-72.6167.3-176.4-174.51112.9Q802 A803 A804Q802-R806 WeakPolarHBondContact O-CD 3.49Å; Q802-R806 VanDerWaalsContact O-CG 3.27Å; Q802-R806 WeakPolarHBondContact O-CG 3.23Å; Q802-R806 PolarHBondContact O-N 3.35Å; A803-R806 WeakPolarHBondContact O-CB 3.15Å; A803-R806 PolarHBondContact O-N 3.49Å; A804-R806 VanDerWaalsContact C-N 3.3Å; A804-R806 PolarHBondContact O-N 3.01Å
807T75.3Confident80.4Confident71 Ų7159.6 Ų59.644%0.43631%0.306SS..Hα-helixtrans-94.3-42.2-178.2-50.10000112.8P647 F653 A803 A804 K805P647-T807 HydrophobicContact CG-CG2 3.86Å; F653-T807 HydrophobicContact CD2-CG2 3.81Å; F653-T807 HydrophobicContact CE2-CG2 4.07Å; A803-T807 PolarHBondContact O-N 3.4Å; A804-T807 PolarHBondContact O-N 3.25Å; K805-T807 VanDerWaalsContact C-N 3.32Å
808V76.3Confident80.7Confident22 Ų2259.6 Ų59.613%0.13331%0.305CS..Hα-helixtrans-96-19.5-174.7-1750000112.1F653 A804 N810 L811F653-V808 HydrophobicContact CB-CG2 3.61Å; F653-V808 HydrophobicContact CD2-CG2 4.36Å; F653-V808 HydrophobicContact CG-CG2 4.03Å; A804-V808 WeakPolarHBondContact O-CB 3.31Å; A804-V808 PolarHBondContact O-N 3.33Å; V808-N810 PolarHBondContact O-N 3.42Å; V808-L811 HydrophobicContact CB-CD2 4.37Å
809G66.9Low80.9Confident61 Ų6156.2 Ų56.263%0.62929%0.29SS*.SBendtrans74.9-64.1-178.800000113.2K805K805-G809 WeakPolarHBondContact O-CA 3.32Å; K805-G809 PolarHBondContact O-N 3.17Å
810N68.7Low81Confident99 Ų9950.5 Ų50.553%0.52926%0.263SS..  trans-112.7125.3-174.6-1633.2000111.7V808 E812V808-N810 PolarHBondContact O-N 3.42Å; N810-E812 HydrophobicContact CB-CG 4.41Å; N810-E812 VanDerWaalsContact CG-CG 3.4Å; N810-E812 VanDerWaalsContact ND2-CG 3.27Å; N810-E812 WeakPolarHBondContact ND2-CG 3.33Å; N810-E812 PolarHBondContact ND2-OE1 3.43Å; N810-E812 PolarHBondContact O-N 3.07Å; N810-E812 WeakPolarHBondContact OD1-CG 3.48Å
811L71.1Confident81.2Confident27 Ų2748.7 Ų48.714%0.14126%0.256CS..  trans-103.455.3-176-56.1-171.5000111.5L650 L801 A804 K805 V808 E813L650-L811 HydrophobicContact CD1-CB 4.05Å; L650-L811 HydrophobicContact CD1-CD2 3.79Å; L650-L811 HydrophobicContact CD1-CG 4.33Å; L650-L811 HydrophobicContact CG-CD2 3.92Å; L801-L811 HydrophobicContact CB-CD1 4.16Å; L801-L811 HydrophobicContact CD1-CD1 4.32Å; L801-L811 HydrophobicContact CG-CD1 4.35Å; A804-L811 HydrophobicContact CB-CD2 4.45Å; K805-L811 HydrophobicContact CD-CD1 4.48Å; K805-L811 HydrophobicContact CG-CD1 3.52Å; K805-L811 HydrophobicContact CG-CG 3.97Å; V808-L811 HydrophobicContact CB-CD2 4.37Å; L811-E813 VanDerWaalsContact C-N 3.27Å; L811-E813 PolarHBondContact O-N 3.14Å
812E65.3Low81.1Confident158 Ų15850.7 Ų50.774%0.73827%0.266SS*.  trans-72-19.5-178.3-54-160.5151.100113.5N810N810-E812 HydrophobicContact CB-CG 4.41Å; N810-E812 VanDerWaalsContact CG-CG 3.4Å; N810-E812 VanDerWaalsContact ND2-CG 3.27Å; N810-E812 WeakPolarHBondContact ND2-CG 3.33Å; N810-E812 PolarHBondContact ND2-OE1 3.43Å; N810-E812 PolarHBondContact O-N 3.07Å; N810-E812 WeakPolarHBondContact OD1-CG 3.48Å
813E77.4Confident80.5Confident69 Ų6950 Ų5032%0.32227%0.265SS..SBendtrans-64.7142.9179.6-66.3-147.7105.300113T649 L650 S651 L811 H815T649-E813 HydrophobicContact CG2-CG 4.1Å; T649-E813 VanDerWaalsContact CG2-OE2 3.27Å; T649-E813 WeakPolarHBondContact CG2-OE2 3.2Å; L650-E813 HydrophobicContact CB-CB 4.14Å; L650-E813 HydrophobicContact CB-CG 4.13Å; L650-E813 WeakPolarHBondContact CB-OE2 3.15Å; L650-E813 HydrophobicContact CD1-CB 4.29Å; L650-E813 PolarHBondContact N-OE2 3.18Å; S651-E813 VanDerWaalsContact CB-OE2 3.26Å; S651-E813 WeakPolarHBondContact CB-OE2 3.49Å; S651-E813 PolarHBondContact N-OE2 3.4Å; S651-E813 PolarHBondContact OG-OE1 2.58Å; S651-E813 PolarHBondContact OG-OE2 3.46Å; L811-E813 VanDerWaalsContact C-N 3.27Å; L811-E813 PolarHBondContact O-N 3.14Å; E813-H815 PolarHBondContact O-N 2.89Å; E813-H815 PolarHBondContact O-ND1 3.12Å
814E82.6Confident79.5Confident67 Ų6750.8 Ų50.831%0.31326%0.264SS..  trans-7583.8-178.6-73.6-84-152.800111.5R759 V762R759-E814 HydrophobicContact CB-CB 3.91Å; R759-E814 HydrophobicContact CB-CG 3.6Å; V762-E814 VanDerWaalsContact CG1-OE2 3.23Å; V762-E814 WeakPolarHBondContact CG1-OE2 3.47Å
815H88.5Confident77.9Confident8 Ų860.8 Ų60.84%0.03732%0.317CS..  trans-105.1166.9-177.363.5-87000113.2L650 L736 A737 L738 P793 L801 E813L650-H815 HydrophobicContact CD1-CB 4.22Å; L736-H815 HydrophobicContact CD1-CB 3.99Å; A737-H815 CarbonylContact O-C 3.58Å; A737-H815 WeakPolarHBondContact O-CA 3.43Å; L738-H815 HydrophobicContact CD2-CB 3.61Å; P793-H815 WeakPolarHBondContact CD-O 3.47Å; P793-H815 VanDerWaalsContact CG-O 3.27Å; P793-H815 WeakPolarHBondContact CG-O 3.34Å; L801-H815 VanDerWaalsContact CD1-CD2 3.44Å; L801-H815 WeakPolarHBondContact CD1-CD2 3.4Å; L801-H815 VanDerWaalsContact CD1-NE2 3.33Å; L801-H815 WeakPolarHBondContact CD1-NE2 3.5Å; E813-H815 PolarHBondContact O-N 2.89Å; E813-H815 PolarHBondContact O-ND1 3.12Å
816M91.9Very high77.8Confident3 Ų360.7 Ų60.72%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-135.6157.3166.1-66.3-178.162.700110.3A737 L758 L761 V762 L765 A790 F791A737-M816 HydrophobicContact CB-CB 4.04Å; A737-M816 PolarHBondContact N-O 3.04Å; A737-M816 PolarHBondContact O-N 3.05Å; L758-M816 HydrophobicContact CD1-SD 4.02Å; L761-M816 HydrophobicContact CD2-SD 4.17Å; L761-M816 HydrophobicContact CG-SD 4.26Å; V762-M816 HydrophobicContact CG2-CG 3.58Å; V762-M816 HydrophobicContact CG2-SD 3.96Å; L765-M816 HydrophobicContact CD1-CE 3.35Å; L765-M816 HydrophobicContact CD1-SD 4.32Å; A790-M816 HydrophobicContact CB-CE 3.64Å; A790-M816 WeakPolarHBondContact O-CE 3.47Å; F791-M816 WeakPolarHBondContact O-CA 3.45Å; F791-M816 WeakPolarHBondContact O-CB 3.31Å
817V92.8Very high77.7Confident0 Ų052.5 Ų52.50%029%0.293CS..EExtended strand (participates in β ladder)trans-109.5128168.7175.20000108.6I734 L735 F791 F800 L801I734-V817 HydrophobicContact CG2-CG1 3.8Å; L735-V817 WeakPolarHBondContact O-CA 3.48Å; F791-V817 WeakPolarHBondContact CB-O 3.49Å; F791-V817 PolarHBondContact N-O 2.68Å; F791-V817 PolarHBondContact O-N 2.85Å; F800-V817 HydrophobicContact CB-CG1 4.4Å; F800-V817 HydrophobicContact CD2-CG1 4.2Å; L801-V817 HydrophobicContact CD1-CG2 3.72Å; L801-V817 HydrophobicContact CD2-CG2 3.71Å; L801-V817 HydrophobicContact CG-CG2 4.37Å
818I92.6Very high77.8Confident1 Ų151.5 Ų51.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-110126-179.9-56.9-166.6000109F666 L677 I734 L735 A737 L788 Y789 A790 I820F666-I818 HydrophobicContact CE1-CD1 4.31Å; F666-I818 HydrophobicContact CE2-CD1 3.63Å; F666-I818 HydrophobicContact CZ-CD1 3.34Å; L677-I818 HydrophobicContact CD1-CD1 4.46Å; L677-I818 HydrophobicContact CD2-CD1 3.63Å; L677-I818 HydrophobicContact CD2-CG1 4.49Å; I734-I818 CarbonylContact C-O 3.52Å; I734-I818 WeakPolarHBondContact CA-O 3.46Å; L735-I818 HydrophobicContact CB-CB 4.28Å; L735-I818 PolarHBondContact N-O 2.68Å; L735-I818 PolarHBondContact O-N 3.05Å; A737-I818 HydrophobicContact CB-CD1 3.84Å; A737-I818 HydrophobicContact CB-CG1 3.95Å; L788-I818 HydrophobicContact CD1-CG2 4.03Å; L788-I818 HydrophobicContact CD2-CG2 3.55Å; L788-I818 HydrophobicContact CG-CG2 3.5Å; L788-I818 VanDerWaalsContact CG-CG2 3.5Å; Y789-I818 CarbonylContact O-C 3.59Å; Y789-I818 WeakPolarHBondContact O-CA 3.41Å; A790-I818 HydrophobicContact CB-CD1 4.36Å; A790-I818 HydrophobicContact CB-CG1 4.23Å; I818-I820 HydrophobicContact CG2-CG1 4.2Å
819V91.7Very high77.9Confident0 Ų053.2 Ų53.20%029%0.294CS..EExtended strand (participates in β ladder)trans-111.4125.8175.4175.50000108.3V720 I724 I734 Y789 F791 F796 V821V720-V819 HydrophobicContact CG1-CB 4.5Å; V720-V819 HydrophobicContact CG1-CG1 3.95Å; I724-V819 HydrophobicContact CD1-CG1 3.8Å; I724-V819 HydrophobicContact CD1-CG2 4.25Å; I724-V819 HydrophobicContact CG1-CG1 3.87Å; I734-V819 HydrophobicContact CG2-CG2 4.37Å; Y789-V819 PolarHBondContact N-O 3.17Å; Y789-V819 PolarHBondContact O-N 3.48Å; F791-V819 HydrophobicContact CD2-CG2 4.16Å; F791-V819 HydrophobicContact CE2-CB 4.12Å; F791-V819 HydrophobicContact CE2-CG2 3.96Å; F796-V819 HydrophobicContact CE1-CG2 4.45Å; V819-V821 HydrophobicContact CG1-CG1 4.05Å
820I89.9Confident78.6Confident1 Ų152.8 Ų52.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-115.8124175.2-60.6165000107.9Y686 F687 F732 A733 L735 A786 M787 L788 I818Y686-I820 HydrophobicContact CE1-CG2 4.01Å; F687-I820 HydrophobicContact CD2-CD1 3.5Å; F687-I820 HydrophobicContact CE2-CD1 3.7Å; F732-I820 CarbonylContact C-O 3.55Å; F732-I820 WeakPolarHBondContact CA-O 3.48Å; F732-I820 WeakPolarHBondContact CB-O 3.37Å; A733-I820 PolarHBondContact N-O 2.92Å; A733-I820 PolarHBondContact O-N 2.85Å; L735-I820 HydrophobicContact CD1-CD1 3.89Å; A786-I820 HydrophobicContact CB-CG2 4.45Å; M787-I820 WeakPolarHBondContact O-CA 3.47Å; L788-I820 HydrophobicContact CB-CG1 3.91Å; L788-I820 HydrophobicContact CD1-CD1 3.9Å; L788-I820 HydrophobicContact CD1-CG1 3.97Å; L788-I820 HydrophobicContact CG-CD1 4.23Å; L788-I820 HydrophobicContact CG-CG1 3.73Å; I818-I820 HydrophobicContact CG2-CG1 4.2Å
821V88.8Confident79.3Confident4 Ų449.7 Ų49.72%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-135.6154.1178.5-70.70000110R723 I724 F732 A786 M787 Y789 V819R723-V821 HydrophobicContact CB-CB 4.29Å; R723-V821 HydrophobicContact CB-CG1 4.15Å; R723-V821 HydrophobicContact CB-CG2 4.26Å; I724-V821 HydrophobicContact CG1-CG1 4.24Å; F732-V821 HydrophobicContact CB-CG1 3.92Å; A786-V821 WeakPolarHBondContact CA-O 3.33Å; M787-V821 PolarHBondContact N-O 3.2Å; M787-V821 PolarHBondContact O-N 3.41Å; M787-V821 VanDerWaalsContact O-N 3.12Å; Y789-V821 HydrophobicContact CD2-CG2 4.22Å; Y789-V821 HydrophobicContact CE2-CG2 3.69Å; V819-V821 HydrophobicContact CG1-CG1 4.05Å
822N82.9Confident79.9Confident42 Ų4251.3 Ų51.323%0.22526%0.264CS..EExtended strand (participates in β ladder)trans-65.3144.9172.9-73.6-53.7000111.5Y686 S731 T824Y686-N822 PolarHBondContact OH-N 3.4Å; Y686-N822 PolarHBondContact OH-OD1 3.5Å; S731-N822 PolarHBondContact O-ND2 3.02Å; N822-T824 HydrophobicContact CB-CG2 4.34Å; N822-T824 PolarHBondContact O-N 3.27Å
823D70.2Confident81Confident73 Ų7343.1 Ų43.139%0.3923%0.228SC..  trans-83.446.3176-159.535.2000111.1G785 M787G785-D823 WeakPolarHBondContact O-CB 3.49Å; G785-D823 PolarHBondContact O-N 3.37Å; M787-D823 HydrophobicContact CG-CB 3.97Å
824T58.6Low81.3Confident80 Ų8040.9 Ų40.949%0.49122%0.22SC..  trans-83.8118.7168.350.20000108.9P784 N822P784-T824 HydrophobicContact CB-CG2 3.91Å; P784-T824 HydrophobicContact CG-CG2 3.77Å; N822-T824 HydrophobicContact CB-CG2 4.34Å; N822-T824 PolarHBondContact O-N 3.27Å
825N44.9Very low81.2Confident212 Ų21238.5 Ų38.5100%1.13421%0.211SC*.  trans-74.10164.6-85.1-53000110.8

Retrieved 825 of 825 residues in 325.4 ms (Link to these results)