A0A077ZLN6_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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
1M67.3Low68.5Low240 Ų240149.1 Ų149.1100%1.18276%0.762SS**  095.90-72.6-166.7140.200107.8
2S71.9Confident68.4Low120 Ų120149.6 Ų149.684%0.83975%0.754SS**  trans-91.9111.5-174.8-52.60000109L4S2-L4 PolarHBondContact O-N 3.47Å
3T74.7Confident68.4Low130 Ų130143.9 Ų143.980%0.79873%0.732SS**  trans-73.3111.5178.344.60000109.6E5T3-E5 PolarHBondContact O-N 3.16Å
4L66.2Low68.6Low178 Ų178147.5 Ų147.593%0.93273%0.732SS**  trans-71105.9172.3-70.7166.6000109S2S2-L4 PolarHBondContact O-N 3.47Å
5E67.9Low69Low176 Ų176150.3 Ų150.382%0.82273%0.731SS**  trans-70.1137.4176-71.4-173.5114.300111.7T3T3-E5 PolarHBondContact O-N 3.16Å
6S69.3Low69.3Low60 Ų60145.3 Ų145.342%0.4272%0.716SS.*  trans-73.9132.3-173.2-179.60000112.1R8 D9S6-R8 PolarHBondContact O-N 3.49Å; S6-D9 PolarHBondContact O-N 3.17Å; S6-D9 VanDerWaalsContact O-N 3.14Å
7P71.3Confident69.6Low104 Ų104144.5 Ų144.568%0.67571%0.71SS**THydrogen-bonded Turntrans-58.3-14.1179.7-24.731.8000115.7
8R69.6Low69.9Low207 Ų207144.4 Ų144.478%0.78171%0.708SS**THydrogen-bonded Turntrans-76.3-27.5179.1-75.2-171.8-175.9-157.82.5113S6S6-R8 PolarHBondContact O-N 3.49Å
9D64Low69.9Low96 Ų96142.8 Ų142.851%0.51370%0.702SS.*THydrogen-bonded Turntrans-79.2-31.6-177.4-68.3-47.1000112.4S6 R11 K12 T13S6-D9 PolarHBondContact O-N 3.17Å; S6-D9 VanDerWaalsContact O-N 3.14Å; D9-R11 PolarHBondContact O-N 3.27Å; D9-R11 VanDerWaalsContact O-N 3.15Å; D9-K12 PolarHBondContact O-N 3.39Å; D9-K12 VanDerWaalsContact O-N 3.1Å; D9-T13 PolarHBondContact O-N 3.26Å
10L61.3Low70Confident120 Ų120138.5 Ų138.563%0.62869%0.69SS**Hα-helixtrans-59.7-24.5172.9-84.1128.7000114.4T13L10-T13 PolarHBondContact O-OG1 3.37Å
11R69.5Low70.3Confident209 Ų209135.8 Ų135.879%0.78969%0.685SS**Hα-helixtrans-79.7-24.9177.5-70.4-170.8-171.1-174.93113.2D9D9-R11 PolarHBondContact O-N 3.27Å; D9-R11 VanDerWaalsContact O-N 3.15Å
12K68.3Low70.3Confident155 Ų155128 Ų12867%0.67465%0.653SS**Hα-helixtrans-78.5-41.8-179.9-73.8178.6-178.7171.20111.2D9 R14 R15 S16D9-K12 PolarHBondContact O-N 3.39Å; D9-K12 VanDerWaalsContact O-N 3.1Å; K12-R14 PolarHBondContact O-N 2.91Å; K12-R15 PolarHBondContact O-N 2.99Å; K12-S16 PolarHBondContact O-N 3Å; K12-S16 PolarHBondContact O-OG 3.46Å
13T68Low70Confident76 Ų76132.1 Ų132.147%0.46665%0.65SS.*Hα-helixtrans-62.3-41.9179.446.20000112.4D9 L10 R15 S16 E17D9-T13 PolarHBondContact O-N 3.26Å; L10-T13 PolarHBondContact O-OG1 3.37Å; T13-R15 VanDerWaalsContact C-N 3.27Å; T13-R15 PolarHBondContact O-N 3.15Å; T13-S16 PolarHBondContact O-N 3.01Å; T13-S16 PolarHBondContact O-OG 3.48Å; T13-E17 PolarHBondContact O-N 3.13Å; T13-E17 VanDerWaalsContact O-N 3.11Å
14R71.3Confident69.5Low194 Ų194130 Ų13073%0.73264%0.64SS**Hα-helixtrans-64.5-29.8179.6-145.6177.4-172.5-167.32.3113.5K12 Q18K12-R14 PolarHBondContact O-N 2.91Å; R14-Q18 PolarHBondContact O-N 3.27Å
15R73.8Confident69.2Low190 Ų190124.4 Ų124.472%0.71762%0.62SS**Hα-helixtrans-79.4-33.6179.2-157.8175.1-173.6-1780.8112.2K12 T13 L19K12-R15 PolarHBondContact O-N 2.99Å; T13-R15 VanDerWaalsContact C-N 3.27Å; T13-R15 PolarHBondContact O-N 3.15Å; R15-L19 WeakPolarHBondContact O-CG 3.24Å; R15-L19 PolarHBondContact O-N 3.4Å
16S74.6Confident68.9Low69 Ų69123 Ų12348%0.48361%0.613SS.*Hα-helixtrans-69.9-37.9173.646.20000112.2K12 T13 L19 A20K12-S16 PolarHBondContact O-N 3Å; K12-S16 PolarHBondContact O-OG 3.46Å; T13-S16 PolarHBondContact O-N 3.01Å; T13-S16 PolarHBondContact O-OG 3.48Å; S16-L19 PolarHBondContact O-N 3.33Å; S16-A20 PolarHBondContact O-N 3.29Å
17E74.4Confident68.7Low133 Ų133128.7 Ų128.762%0.62163%0.631SS**Hα-helixtrans-67.6-39.7177.1-71.4178.4147.600112.4T13 L19 A20 S21T13-E17 PolarHBondContact O-N 3.13Å; T13-E17 VanDerWaalsContact O-N 3.11Å; E17-L19 PolarHBondContact O-N 3.12Å; E17-A20 PolarHBondContact O-N 3.49Å; E17-S21 PolarHBondContact O-N 3.2Å
18Q74.6Confident68.3Low142 Ų142130.7 Ų130.766%0.66464%0.635SS**Hα-helixtrans-62.9-39.8174.1-105.4-176.8-25.200112.6R14 S21 C22R14-Q18 PolarHBondContact O-N 3.27Å; Q18-S21 PolarHBondContact O-N 2.91Å; Q18-C22 PolarHBondContact O-N 3.32Å; Q18-C22 VanDerWaalsContact O-N 3.15Å
19L70.5Confident67.8Low114 Ų114127.6 Ų127.660%0.59763%0.633SS**Hα-helixtrans-70.8-33.5177.4-72.9171.9000112.5R15 S16 E17 R23R15-L19 WeakPolarHBondContact O-CG 3.24Å; R15-L19 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.33Å; E17-L19 PolarHBondContact O-N 3.12Å; L19-R23 PolarHBondContact O-N 2.97Å
20A71.4Confident67.6Low56 Ų56133.8 Ų133.846%0.46365%0.649SS.*Hα-helixtrans-66.6-42.9173.800000111.6S16 E17 C22 R23 S24S16-A20 PolarHBondContact O-N 3.29Å; E17-A20 PolarHBondContact O-N 3.49Å; A20-C22 PolarHBondContact O-N 2.88Å; A20-R23 PolarHBondContact O-N 2.75Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.29Å
21S76.6Confident67.7Low83 Ų83135.3 Ų135.358%0.5865%0.653SS**Hα-helixtrans-61.7-41.2177-174.60000112.5E17 Q18 R23 S24 A25E17-S21 PolarHBondContact O-N 3.2Å; Q18-S21 PolarHBondContact O-N 2.91Å; S21-R23 PolarHBondContact O-N 2.78Å; S21-S24 PolarHBondContact O-N 3.03Å; S21-A25 PolarHBondContact O-N 2.92Å
22C67.7Low67.3Low77 Ų77130.8 Ų130.852%0.5265%0.651SS.*Hα-helixtrans-67.2-32.3177.2-73.30000113.7Q18 A20 Q26Q18-C22 PolarHBondContact O-N 3.32Å; Q18-C22 VanDerWaalsContact O-N 3.15Å; A20-C22 PolarHBondContact O-N 2.88Å; C22-Q26 PolarHBondContact O-N 3.35Å
23R65.9Low67Low205 Ų205129.6 Ų129.677%0.77466%0.656SS**Hα-helixtrans-70.3-35.2176.9-75.6-176.5176.4-168-0.3112.1L19 A20 S21L19-R23 PolarHBondContact O-N 2.97Å; A20-R23 PolarHBondContact O-N 2.75Å; S21-R23 PolarHBondContact O-N 2.78Å
24S62.9Low66.6Low85 Ų85137 Ų13759%0.59468%0.675SS**Hα-helixtrans-68.4-39176.5-58.90000112.1A20 S21 Q26 K27A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.29Å; S21-S24 PolarHBondContact O-N 3.03Å; S24-Q26 PolarHBondContact O-N 3.39Å; S24-K27 PolarHBondContact O-N 3.19Å
25A60.3Low66.1Low61 Ų61134.8 Ų134.850%0.50468%0.678SS.*Hα-helixtrans-66.9-34.2178.500000113.3S21 K27S21-A25 PolarHBondContact O-N 2.92Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.18Å
26Q61.5Low65.6Low147 Ų147130.7 Ų130.769%0.68768%0.676SS**Hα-helixtrans-71.5-20178.2-74.6-173.14.300113.7C22 S24C22-Q26 PolarHBondContact O-N 3.35Å; S24-Q26 PolarHBondContact O-N 3.39Å
27K64.9Low65Low179 Ų179133.1 Ų133.178%0.77869%0.691SS**Hα-helixtrans-77.1-22.2-178.1-151.4171.6-175.4-176.30112.9S24 A25S24-K27 PolarHBondContact O-N 3.19Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.18Å
28L63.5Low64.2Low146 Ų146137.3 Ų137.376%0.76471%0.706SS**THydrogen-bonded Turntrans-84.8-12.8179.4-66.3178.5000114.3
29L59.7Low63.1Low143 Ų143135 Ų13575%0.74971%0.712SS**THydrogen-bonded Turntrans-94.72.5-177.8-77.6158.4000114.4H31L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.86Å; L29-H31 VanDerWaalsContact O-N 3.11Å
30R58.8Low62.3Low226 Ų226134 Ų13485%0.85372%0.72SS**  trans-86.771171.8-69.1-167.7-178.1-1511110.1
31H64.2Low61.1Low152 Ų152139.5 Ų139.570%0.70474%0.736SS**  trans-66137.5158.5-73.4-72.8000108.9L29 V33L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 2.86Å; L29-H31 VanDerWaalsContact O-N 3.11Å; H31-V33 PolarHBondContact O-N 3.35Å; H31-V33 VanDerWaalsContact O-N 3.09Å
32P60.2Low59.7Low114 Ų114144.6 Ų144.674%0.7475%0.75SS**  trans-61.6116.317624.9-31.7000108.3R34P32-R34 VanDerWaalsContact C-N 3.33Å; P32-R34 PolarHBondContact O-N 3.35Å
33V62.3Low58.9Low130 Ų130148.9 Ų148.979%0.78876%0.763SS**  trans-62.4100.4169.4-177.60000105.8H31 D35H31-V33 PolarHBondContact O-N 3.35Å; H31-V33 VanDerWaalsContact O-N 3.09Å; V33-D35 PolarHBondContact O-N 3.36Å
34R59.8Low58.1Low230 Ų230142.2 Ų142.287%0.86876%0.758SS**PPolyproline II helixtrans-62.4120.6166.4-82.7-179.3168-173.8-3.8106.7P32P32-R34 VanDerWaalsContact C-N 3.33Å; P32-R34 PolarHBondContact O-N 3.35Å
35D60.4Low57.7Low148 Ų148149.7 Ų149.779%0.79177%0.773SS**PPolyproline II helixtrans-50.7125.6172.9-68.1-71.3000109.7V33V33-D35 PolarHBondContact O-N 3.36Å
36P64Low57.5Low105 Ų105154.5 Ų154.568%0.68279%0.79SS**PPolyproline II helixtrans-65.6133.5179.124.6-31.1000109.6K38P36-K38 PolarHBondContact O-N 3.15Å
37P62.7Low57.2Low120 Ų120152 Ų15278%0.77979%0.794SS**PPolyproline II helixtrans-61.9132.5177.724.6-32.2000109.9A39P37-A39 PolarHBondContact O-N 3.23Å
38K57.2Low57Low220 Ų220154.7 Ų154.796%0.95780%0.8SS**  trans-64.382.7172.2-68.6175.5177.4177.20109.1P36P36-K38 PolarHBondContact O-N 3.15Å
39A51.8Low57Low95 Ų95152.9 Ų152.979%0.78580%0.799SS**  trans-82.6118.2171.200000109.2P37P37-A39 PolarHBondContact O-N 3.23Å
40A52.3Low57.2Low92 Ų92153.2 Ų153.276%0.7680%0.8SS**  trans-63.6139.8177.800000112.1
41H46Very low57.5Low172 Ų172153.5 Ų153.580%0.79680%0.801SS**  trans35.992.8130.1-151.7-83.1000117.2
42E48.6Very low57.5Low189 Ų189155 Ų15588%0.88381%0.808SS**  trans-139.6122150-153.2-178.4126.300110.6G44E42-G44 VanDerWaalsContact C-N 3.33Å; E42-G44 PolarHBondContact O-N 3.29Å
43E49.8Very low57.7Low168 Ų168153.6 Ų153.679%0.78581%0.806SS**  trans-70.281.1-179.4-69.4-151.8111.900111.4R45E43-R45 VanDerWaalsContact C-N 3.35Å; E43-R45 PolarHBondContact O-N 2.89Å
44G49.7Very low57.9Low65 Ų65152.7 Ų152.767%0.6780%0.803SS**  trans-79.279.4170.800000112E42 L46E42-G44 VanDerWaalsContact C-N 3.33Å; E42-G44 PolarHBondContact O-N 3.29Å; G44-L46 PolarHBondContact O-N 3.25Å
45R53.5Low58.3Low241 Ų241147.9 Ų147.991%0.90980%0.801SS**  trans-64.662.8172-124.4-171.8-157.3-162.96.9111.9E43 A47E43-R45 VanDerWaalsContact C-N 3.35Å; E43-R45 PolarHBondContact O-N 2.89Å; R45-A47 PolarHBondContact O-N 3.09Å
46L56.9Low58.7Low163 Ų163147 Ų14785%0.85380%0.802SS**  trans-88.296.9174.3-72.9173.5000110.5G44 R48G44-L46 PolarHBondContact O-N 3.25Å; L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.14Å
47A54.8Low58.9Low95 Ų95153.4 Ų153.479%0.78581%0.812SS**  trans-19.1104.316200000113.6R45 S49R45-A47 PolarHBondContact O-N 3.09Å; A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.35Å
48R60.4Low59Low235 Ų235159.5 Ų159.589%0.88782%0.82SS**  trans-65.4100.3162-70.1-176.3-174.8-157.51.3107L46 I50L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.14Å; R48-I50 PolarHBondContact O-N 2.93Å
49S63.5Low59.4Low107 Ų107158.1 Ų158.175%0.74881%0.814SS**  trans-46.8102.5166.3-177.80000108.7A47 R51A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.35Å; S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å
50I64.2Low60Low151 Ų151159.4 Ų159.477%0.77481%0.812SS**  trans-64.698.6174.7-62172.5000104.6R48 Q52R48-I50 PolarHBondContact O-N 2.93Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.76Å
51R65Low60.1Low232 Ų232164.4 Ų164.488%0.87582%0.819SS**  trans-56.1106.4167.7-67.5-174.9-173.5-155.50.9106.1S49 A53S49-R51 VanDerWaalsContact C-N 3.31Å; S49-R51 PolarHBondContact O-N 3.44Å; R51-A53 PolarHBondContact O-N 2.76Å
52Q65.5Low60.8Low183 Ų183164.5 Ų164.586%0.85582%0.821SS**  trans-52.2113.3172.4-67.3174.9-2.200106.7I50I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.76Å
53A63.2Low61.5Low84 Ų84160 Ų16069%0.69482%0.815SS**  trans-58.3134.9174.200000107.9R51R51-A53 PolarHBondContact O-N 2.76Å
54P66.9Low61.9Low111 Ų111160.4 Ų160.472%0.72182%0.819SS**  trans-57.6137.2-177.621.1-31.2000110.1T56P54-T56 PolarHBondContact O-N 2.83Å
55P69Low62.6Low129 Ų129161.8 Ų161.884%0.83882%0.819SS**  trans-57.6114.7-178.523.3-32.9000108.7R57P55-R57 PolarHBondContact O-N 3.22Å
56T68.8Low63.1Low130 Ų130155.9 Ų155.980%0.79881%0.812SS**  trans-56.9113.7173.648.70000107.8P54 R58P54-T56 PolarHBondContact O-N 2.83Å; T56-R58 PolarHBondContact O-N 2.97Å
57R68Low63.2Low239 Ų239153.6 Ų153.690%0.90280%0.804SS**  trans-35.9108.8168.8-123177.6176.1-171.4-1.9108.7P55 K59P55-R57 PolarHBondContact O-N 3.22Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.4Å
58R63.5Low63.7Low249 Ų249157 Ų15794%0.9480%0.804SS**  trans-56.497.2165.8-81179.9175.1177-2.4106.3T56 T60T56-R58 PolarHBondContact O-N 2.97Å; R58-T60 PolarHBondContact O-N 3.31Å
59K66.8Low63.4Low191 Ų191151.2 Ų151.283%0.8380%0.797SS**  trans-78.3110.7173-163.5171-175.6-179.50104.9R57 E61R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.4Å; K59-E61 PolarHBondContact O-N 3.1Å
60T63.4Low63.1Low122 Ų122149.9 Ų149.975%0.74879%0.787SS**  trans-37.4118.9174.8-26.70000109.5R58 E62R58-T60 PolarHBondContact O-N 3.31Å; T60-E62 PolarHBondContact O-N 3.42Å
61E55.6Low63.3Low196 Ų196148.8 Ų148.892%0.91678%0.782SS**  trans-68.673.6171.7-67.3171.6111.800107.8K59 A63K59-E61 PolarHBondContact O-N 3.1Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.42Å
62E59.9Low63.9Low175 Ų175143.8 Ų143.882%0.81878%0.777SS**  trans-68.397.2162.4-84.1-165.4112.200107.5T60 M64T60-E62 PolarHBondContact O-N 3.42Å; E62-M64 PolarHBondContact O-N 2.81Å; E62-M64 VanDerWaalsContact O-N 3.12Å
63A62.7Low64.9Low94 Ų94136.5 Ų136.578%0.77774%0.744SS**  trans25.180.5149.100000113.9E61 S65E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 3.42Å; A63-S65 PolarHBondContact O-N 2.89Å
64M58.8Low66.2Low176 Ų176136.9 Ų136.987%0.86774%0.739SS**  trans-61.295165-81.7158.479.300107.8E62E62-M64 PolarHBondContact O-N 2.81Å; E62-M64 VanDerWaalsContact O-N 3.12Å
65S64.7Low67.5Low94 Ų94134 Ų13466%0.65772%0.721SS**  trans-43.3137.2168.4-1690000109.4A63 V67A63-S65 PolarHBondContact O-N 2.89Å; S65-V67 PolarHBondContact O-N 2.9Å
66P63.9Low68.8Low117 Ų117129.1 Ų129.176%0.7669%0.688SS**  trans-49.2112.6-172.617.2-31.2000110.1Q68P66-Q68 PolarHBondContact O-N 3.07Å
67V58.4Low70.1Confident115 Ų115127.6 Ų127.670%0.69767%0.671SS**  trans-59.7104.1-179.2-174.10000106.4S65S65-V67 PolarHBondContact O-N 2.9Å
68Q64.8Low71.5Confident166 Ų166117.3 Ų117.378%0.77663%0.633SS**  trans-49.4134.5176.2-82.9-170-20.400108.7P66 C70P66-Q68 PolarHBondContact O-N 3.07Å; Q68-C70 PolarHBondContact O-N 3.36Å
69P55.2Low73.1Confident114 Ų114107.5 Ų107.574%0.7460%0.601SS**  trans-51.7119.6-179.119-29.9000108L71P69-L71 PolarHBondContact O-N 2.97Å
70C57.8Low74.2Confident79 Ų7999.8 Ų99.853%0.53458%0.576SS.*  trans-52.1103-173.3-52.40000108.2Q68 T72Q68-C70 PolarHBondContact O-N 3.36Å; C70-T72 PolarHBondContact O-N 3.23Å
71L67.1Low75.8Confident129 Ų12998.4 Ų98.468%0.67557%0.569SS**  trans-64.492.1169.2-66177.1000106.7P69 L73P69-L71 PolarHBondContact O-N 2.97Å; L71-L73 PolarHBondContact O-N 2.74Å
72T77.7Confident77.8Confident127 Ų12789.2 Ų89.278%0.77953%0.526SS*.  trans-70.9101.1174.343.10000107.3C70C70-T72 PolarHBondContact O-N 3.23Å
73L86.4Confident79.5Confident29 Ų2984.5 Ų84.515%0.15251%0.511CS..PPolyproline II helixtrans-60.6144169.2-75.3176.7000110.2L71 A85 L101 I107L71-L73 PolarHBondContact O-N 2.74Å; L73-A85 HydrophobicContact CD2-CB 4.3Å; L73-L101 HydrophobicContact CD1-CD1 3.63Å; L73-L101 HydrophobicContact CD1-CD2 4.16Å; L73-I107 HydrophobicContact CD1-CD1 3.66Å; L73-I107 HydrophobicContact CD1-CG2 3.85Å; L73-I107 HydrophobicContact CD2-CD1 4.31Å; L73-I107 HydrophobicContact CG-CD1 3.94Å; L73-I107 HydrophobicContact CG-CG2 4.35Å
74P90.7Very high81.1Confident92 Ų9280.5 Ų80.560%0.59748%0.477SS*.PPolyproline II helixtrans-58.4147170.924.5-32.4000110.6V76P74-V76 PolarHBondContact O-N 3.22Å
75P94Very high82.7Confident52 Ų5275.8 Ų75.834%0.33847%0.466SS..PPolyproline II helixtrans-59.9132.9179.2-2231.9000112S111 M113 T120P75-S111 WeakPolarHBondContact CA-O 3.17Å; P75-M113 HydrophobicContact CB-CB 3.88Å; P75-M113 HydrophobicContact CB-CE 4.45Å; P75-T120 HydrophobicContact CB-CG2 4.21Å; P75-T120 HydrophobicContact CG-CG2 4.26Å
76V96.4Very high84Confident26 Ų2675.8 Ų75.816%0.15846%0.456CS..EExtended strand (participates in β ladder)trans-91.2134.1179.8179.10000111P74 F82 M97 S111 F112 M113P74-V76 PolarHBondContact O-N 3.22Å; V76-F82 HydrophobicContact CG1-CD1 3.99Å; V76-M97 HydrophobicContact CB-CE 3.99Å; V76-M97 HydrophobicContact CB-SD 4.49Å; V76-M97 HydrophobicContact CG1-CE 4.08Å; V76-M97 HydrophobicContact CG1-SD 4.09Å; V76-M97 HydrophobicContact CG2-CE 3.42Å; V76-M97 VanDerWaalsContact CG2-CE 3.42Å; V76-M97 HydrophobicContact CG2-SD 4.48Å; V76-S111 PolarHBondContact N-O 3.33Å; V76-F112 HydrophobicContact CB-CD1 4.45Å; V76-F112 CarbonylContact O-C 3.47Å; V76-F112 VanDerWaalsContact O-CA 3.24Å; V76-F112 WeakPolarHBondContact O-CA 3.22Å; V76-M113 PolarHBondContact O-N 3.3Å
77F97.4Very high85.5Confident97 Ų9772.5 Ų72.543%0.42543%0.434SS..EExtended strand (participates in β ladder)trans-66143.9-177.4-69.9-76.5000112.9M113F77-M113 CarbonylContact C-O 3.45Å; F77-M113 WeakPolarHBondContact CA-O 3.16Å; F77-M113 HydrophobicContact CD1-CB 4.48Å; F77-M113 HydrophobicContact CD1-CE 3.8Å; F77-M113 HydrophobicContact CD1-CG 4.38Å; F77-M113 HydrophobicContact CE1-CE 3.16Å; F77-M113 HydrophobicContact CE1-CG 4.39Å; F77-M113 HydrophobicContact CE1-SD 4.26Å; F77-M113 HydrophobicContact CE2-CE 4.17Å; F77-M113 HydrophobicContact CZ-CE 3.39Å
78F97.5Very high87.3Confident24 Ų2473.3 Ų73.311%0.10545%0.445CS..EExtended strand (participates in β ladder)trans-124.9134.2176.1-171.3-82.9000110.3F82 P94 M113 R115 I126 Y130F78-F82 HydrophobicContact CD2-CE1 4.07Å; F78-F82 AromaticContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CE2-CZ 4.16Å; F78-P94 HydrophobicContact CE2-CG 4.43Å; F78-M113 PolarHBondContact N-O 2.95Å; F78-R115 WeakPolarHBondContact O-CB 3.41Å; F78-R115 PolarHBondContact O-N 2.74Å; F78-I126 HydrophobicContact CB-CG1 4.09Å; F78-I126 HydrophobicContact CB-CG2 4.3Å; F78-I126 HydrophobicContact CD2-CG2 3.89Å; F78-I126 HydrophobicContact CE2-CG2 4.36Å; F78-I126 HydrophobicContact CG-CG1 4.34Å; F78-I126 HydrophobicContact CG-CG2 3.97Å; F78-Y130 HydrophobicContact CD1-CD1 4.13Å; F78-Y130 AromaticContact CD1-CD2 3.88Å; F78-Y130 HydrophobicContact CD1-CD2 3.88Å; F78-Y130 AromaticContact CD1-CG 3.59Å; F78-Y130 HydrophobicContact CD1-CG 3.59Å; F78-Y130 AromaticContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD2 4.31Å; F78-Y130 AromaticContact CE1-CG 3.58Å; F78-Y130 HydrophobicContact CE1-CG 3.58Å
79P95.6Very high88.9Confident42 Ų4266.9 Ų66.927%0.27342%0.421SS..SBendcis-75.6173.40.533-38.6000111.5Y130P79-Y130 VanDerWaalsContact CD-OH 3.29Å; P79-Y130 WeakPolarHBondContact CD-OH 3.37Å; P79-Y130 HydrophobicContact CG-CE1 4.03Å; P79-Y130 HydrophobicContact CG-CE2 4.23Å; P79-Y130 WeakPolarHBondContact CG-OH 3.19Å
80G91Very high90.9Very high30 Ų3065.7 Ų65.731%0.30942%0.415SS..SBendtrans-57.8175.4-177.300000114.3
81P96.2Very high92.8Very high92 Ų9263.9 Ų63.960%0.59740%0.398SS*.  cis-72.9157.717.928.4-36.2000114.9P83P81-P83 VanDerWaalsContact C-CD 3.5Å; P81-P83 VanDerWaalsContact O-CD 3.22Å; P81-P83 WeakPolarHBondContact O-CD 3.47Å
82F97.1Very high94.2Very high4 Ų463.3 Ų63.32%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-114.380.4-178.3-57.9-65.3000111.1V76 F78 F91 T92 P94 M97 F112V76-F82 HydrophobicContact CG1-CD1 3.99Å; F78-F82 HydrophobicContact CD2-CE1 4.07Å; F78-F82 AromaticContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CD2-CZ 3.89Å; F78-F82 HydrophobicContact CE2-CZ 4.16Å; F82-F91 HydrophobicContact CB-CB 4.27Å; F82-F91 WeakPolarHBondContact CB-O 3.43Å; F82-F91 WeakPolarHBondContact CD2-O 3.35Å; F82-F91 PolarHBondContact N-O 2.76Å; F82-F91 VanDerWaalsContact N-O 3.12Å; F82-F91 PolarHBondContact O-N 3.48Å; F82-T92 WeakPolarHBondContact CE2-O 3.27Å; F82-P94 HydrophobicContact CE1-CB 4.33Å; F82-P94 HydrophobicContact CE2-CB 4.16Å; F82-P94 HydrophobicContact CE2-CG 4.4Å; F82-P94 HydrophobicContact CZ-CB 3.98Å; F82-P94 HydrophobicContact CZ-CG 4.33Å; F82-M97 HydrophobicContact CB-CB 4.09Å; F82-M97 HydrophobicContact CB-CG 4.17Å; F82-M97 HydrophobicContact CB-SD 3.63Å; F82-M97 HydrophobicContact CD1-SD 4.24Å; F82-M97 HydrophobicContact CG-SD 4.21Å; F82-F112 HydrophobicContact CD1-CE1 4.17Å; F82-F112 HydrophobicContact CE1-CD1 4.24Å; F82-F112 HydrophobicContact CE1-CE1 4.11Å
83P96.7Very high95.2Very high75 Ų7564.6 Ų64.649%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-72.8144177.230.5-34.1000111.4P81P81-P83 VanDerWaalsContact C-CD 3.5Å; P81-P83 VanDerWaalsContact O-CD 3.22Å; P81-P83 WeakPolarHBondContact O-CD 3.47Å
84C95.9Very high95.7Very high11 Ų1164.4 Ų64.47%0.07439%0.391CS..  trans-77.7137.8168.9-172.90000110.4H86 C87 A89 H100 Y105C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3Å; C84-H86 PolarHBondContact SG-N 3.22Å; C84-C87 VanDerWaalsContact CB-SG 3.58Å; C84-A89 WeakPolarHBondContact CB-O 3.32Å; C84-A89 PolarHBondContact N-O 3.36Å; C84-H100 PolarHBondContact SG-NE2 2.74Å; C84-Y105 VanDerWaalsContact SG-CE2 3.55Å
85A91.9Very high95.9Very high77 Ų7763.8 Ų63.864%0.63639%0.386SS*.SBendtrans-77.2-15.4177.600000113.3L73L73-A85 HydrophobicContact CD2-CB 4.3Å
86H93.3Very high96.1Very high94 Ų9465 Ų6544%0.43539%0.387SS..SBendtrans-112.9-9.3-172.7-64.5-63.4000113.5C84 Y105C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3Å; C84-H86 PolarHBondContact SG-N 3.22Å; H86-Y105 HydrophobicContact CB-CD1 4.06Å; H86-Y105 HydrophobicContact CB-CD2 4.46Å; H86-Y105 HydrophobicContact CB-CE1 3.35Å; H86-Y105 HydrophobicContact CB-CE2 3.83Å; H86-Y105 VanDerWaalsContact CB-OH 3.27Å; H86-Y105 WeakPolarHBondContact CB-OH 3.23Å; H86-Y105 AromaticContact CG-CE1 3.96Å; H86-Y105 PolarHBondContact O-OH 3.13Å
87C95.6Very high96.1Very high47 Ų4763.9 Ų63.932%0.31838%0.38SS..SBendtrans-150.5170173.565.10000111.3C84 A89 H100 Y105C84-C87 VanDerWaalsContact CB-SG 3.58Å; C87-A89 PolarHBondContact O-N 2.99Å; C87-A89 VanDerWaalsContact O-N 3.15Å; C87-A89 WeakPolarHBondContact SG-CB 3.44Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.28Å; C87-Y105 VanDerWaalsContact CB-OH 3.32Å; C87-Y105 WeakPolarHBondContact CB-OH 3.39Å; C87-Y105 PolarHBondContact SG-OH 3.44Å; C87-Y105 VanDerWaalsContact SG-OH 3.33Å
88S96Very high96.1Very high132 Ų13260.7 Ų60.792%0.92337%0.369SS*.SBendtrans-73.15.2177.550.90000114.4
89A97.7Very high96Very high32 Ų3262.2 Ų62.226%0.26439%0.386SS..  trans-70.8135.4178.200000111.4C84 C87 F91C84-A89 WeakPolarHBondContact CB-O 3.32Å; C84-A89 PolarHBondContact N-O 3.36Å; C87-A89 PolarHBondContact O-N 2.99Å; C87-A89 VanDerWaalsContact O-N 3.15Å; C87-A89 WeakPolarHBondContact SG-CB 3.44Å; A89-F91 HydrophobicContact CB-CE2 3.84Å; A89-F91 HydrophobicContact CB-CZ 3.78Å
90S97.4Very high96.1Very high89 Ų8961.6 Ų61.662%0.62238%0.379SS*.EExtended strand (participates in β ladder)trans-125.7135.8172.968.60000110.4
91F98Very high96.3Very high40 Ų4060.2 Ų60.218%0.17537%0.365CS..EExtended strand (participates in β ladder)trans-114.5149.2-177.4-55.5-85.2000111.3F82 A89 E96 M97 H100F82-F91 HydrophobicContact CB-CB 4.27Å; F82-F91 WeakPolarHBondContact CB-O 3.43Å; F82-F91 WeakPolarHBondContact CD2-O 3.35Å; F82-F91 PolarHBondContact N-O 2.76Å; F82-F91 VanDerWaalsContact N-O 3.12Å; F82-F91 PolarHBondContact O-N 3.48Å; A89-F91 HydrophobicContact CB-CE2 3.84Å; A89-F91 HydrophobicContact CB-CZ 3.78Å; F91-E96 HydrophobicContact CB-CB 4.18Å; F91-E96 HydrophobicContact CD1-CB 3.74Å; F91-E96 HydrophobicContact CG-CB 4.24Å; F91-M97 HydrophobicContact CB-CB 4.01Å; F91-M97 HydrophobicContact CD2-CB 3.77Å; F91-M97 HydrophobicContact CD2-CG 4.06Å; F91-M97 HydrophobicContact CG-CB 4.02Å; F91-H100 HydrophobicContact CE1-CB 3.97Å; F91-H100 HydrophobicContact CE2-CB 3.86Å; F91-H100 AromaticContact CE2-CD2 3.35Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.49Å; F91-H100 AromaticContact CE2-CG 3.64Å; F91-H100 HydrophobicContact CZ-CB 3.38Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 VanDerWaalsContact CZ-CD2 3.5Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.41Å; F91-H100 AromaticContact CZ-CG 3.28Å; F91-H100 AromaticContact CZ-ND1 3.86Å
92T96.7Very high96.3Very high117 Ų11759.4 Ų59.472%0.71836%0.355SS*.SBendtrans-90.1-25.4175.666.50000112.1F82F82-T92 WeakPolarHBondContact CE2-O 3.27Å
93R97.3Very high96.2Very high154 Ų15463.8 Ų63.858%0.58139%0.386SS*.SBendtrans-114.1140.8180-59.8-177.3178.6174.8-2.6111.2T95 E96 M97R93-T95 PolarHBondContact O-N 3.04Å; R93-E96 HydrophobicContact CB-CB 4.43Å; R93-E96 HydrophobicContact CB-CG 4.03Å; R93-E96 WeakPolarHBondContact CD-OE1 3.46Å; R93-E96 PolarHBondContact O-N 3.39Å; R93-M97 PolarHBondContact O-N 3.33Å
94P96.5Very high96.2Very high25 Ų2564 Ų6416%0.16239%0.386CS..Hα-helixtrans-67.9-26179.629.3-35.9000112.4F78 F82 T98 F112 T123F78-P94 HydrophobicContact CE2-CG 4.43Å; F82-P94 HydrophobicContact CE1-CB 4.33Å; F82-P94 HydrophobicContact CE2-CB 4.16Å; F82-P94 HydrophobicContact CE2-CG 4.4Å; F82-P94 HydrophobicContact CZ-CB 3.98Å; F82-P94 HydrophobicContact CZ-CG 4.33Å; P94-T98 WeakPolarHBondContact O-CB 3.32Å; P94-T98 PolarHBondContact O-N 3.43Å; P94-T98 PolarHBondContact O-OG1 2.99Å; P94-F112 HydrophobicContact CB-CE1 3.74Å; P94-F112 HydrophobicContact CB-CZ 3.82Å; P94-T123 HydrophobicContact CB-CG2 3.63Å; P94-T123 HydrophobicContact CG-CG2 3.55Å
95T96.2Very high96.1Very high80 Ų8067.1 Ų67.149%0.49140%0.397SS..Hα-helixtrans-68.6-37.4175.849.70000112.2R93 T98 A99R93-T95 PolarHBondContact O-N 3.04Å; T95-T98 PolarHBondContact O-N 2.92Å; T95-A99 WeakPolarHBondContact O-CB 3.32Å; T95-A99 PolarHBondContact O-N 2.89Å
96E97.7Very high96.2Very high76 Ų7665.8 Ų65.836%0.35539%0.39SS..Hα-helixtrans-68.7-46.4177.7-68166.3-175.200110.6F91 R93 T98 A99 H100F91-E96 HydrophobicContact CB-CB 4.18Å; F91-E96 HydrophobicContact CD1-CB 3.74Å; F91-E96 HydrophobicContact CG-CB 4.24Å; R93-E96 HydrophobicContact CB-CB 4.43Å; R93-E96 HydrophobicContact CB-CG 4.03Å; R93-E96 WeakPolarHBondContact CD-OE1 3.46Å; R93-E96 PolarHBondContact O-N 3.39Å; E96-T98 VanDerWaalsContact C-N 3.3Å; E96-T98 PolarHBondContact O-N 3.38Å; E96-A99 PolarHBondContact O-N 3.09Å; E96-H100 WeakPolarHBondContact O-CB 3.42Å; E96-H100 PolarHBondContact O-N 2.86Å
97M97.1Very high96.2Very high3 Ų362.2 Ų62.22%0.01537%0.374CS..Hα-helixtrans-57.9-43.3173.1-177.2-159.4158.900111.6V76 F82 F91 R93 H100 L101 I110 F112V76-M97 HydrophobicContact CB-CE 3.99Å; V76-M97 HydrophobicContact CB-SD 4.49Å; V76-M97 HydrophobicContact CG1-CE 4.08Å; V76-M97 HydrophobicContact CG1-SD 4.09Å; V76-M97 HydrophobicContact CG2-CE 3.42Å; V76-M97 VanDerWaalsContact CG2-CE 3.42Å; V76-M97 HydrophobicContact CG2-SD 4.48Å; F82-M97 HydrophobicContact CB-CB 4.09Å; F82-M97 HydrophobicContact CB-CG 4.17Å; F82-M97 HydrophobicContact CB-SD 3.63Å; F82-M97 HydrophobicContact CD1-SD 4.24Å; F82-M97 HydrophobicContact CG-SD 4.21Å; F91-M97 HydrophobicContact CB-CB 4.01Å; F91-M97 HydrophobicContact CD2-CB 3.77Å; F91-M97 HydrophobicContact CD2-CG 4.06Å; F91-M97 HydrophobicContact CG-CB 4.02Å; R93-M97 PolarHBondContact O-N 3.33Å; M97-H100 PolarHBondContact O-N 3.14Å; M97-L101 HydrophobicContact CE-CD1 3.62Å; M97-L101 HydrophobicContact CG-CD1 4.45Å; M97-L101 WeakPolarHBondContact O-CB 3.24Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 2.89Å; M97-I110 HydrophobicContact CE-CG2 4.28Å; M97-F112 HydrophobicContact SD-CE1 4.16Å; M97-F112 HydrophobicContact SD-CZ 4.47Å
98T96Very high96Very high30 Ų3070 Ų7018%0.18440%0.397CS..Hα-helixtrans-62.6-46.3177.7-61.20000111.5P94 T95 E96 H100 L101 I102 I110P94-T98 WeakPolarHBondContact O-CB 3.32Å; P94-T98 PolarHBondContact O-N 3.43Å; P94-T98 PolarHBondContact O-OG1 2.99Å; T95-T98 PolarHBondContact O-N 2.92Å; E96-T98 VanDerWaalsContact C-N 3.3Å; E96-T98 PolarHBondContact O-N 3.38Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.32Å; T98-L101 PolarHBondContact O-N 3.44Å; T98-I102 HydrophobicContact CG2-CD1 3.74Å; T98-I102 WeakPolarHBondContact O-CD1 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.07Å; T98-I110 HydrophobicContact CG2-CD1 3.88Å
99A97Very high95.8Very high57 Ų5772 Ų7247%0.47139%0.389SS..Hα-helixtrans-61.2-44177.400000111.5T95 E96 I102 S103T95-A99 WeakPolarHBondContact O-CB 3.32Å; T95-A99 PolarHBondContact O-N 2.89Å; E96-A99 PolarHBondContact O-N 3.09Å; A99-I102 PolarHBondContact O-N 2.94Å; A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 2.82Å; A99-S103 VanDerWaalsContact O-OG 3.09Å
100H97.5Very high95.6Very high28 Ų2871.6 Ų71.613%0.1338%0.383CS..Hα-helixtrans-59.8-47.4175.4167.467.1000112.4C84 C87 F91 E96 M97 T98 I102 S103 T104 Y105C84-H100 PolarHBondContact SG-NE2 2.74Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.28Å; F91-H100 HydrophobicContact CE1-CB 3.97Å; F91-H100 HydrophobicContact CE2-CB 3.86Å; F91-H100 AromaticContact CE2-CD2 3.35Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.49Å; F91-H100 AromaticContact CE2-CG 3.64Å; F91-H100 HydrophobicContact CZ-CB 3.38Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 VanDerWaalsContact CZ-CD2 3.5Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.41Å; F91-H100 AromaticContact CZ-CG 3.28Å; F91-H100 AromaticContact CZ-ND1 3.86Å; E96-H100 WeakPolarHBondContact O-CB 3.42Å; E96-H100 PolarHBondContact O-N 2.86Å; M97-H100 PolarHBondContact O-N 3.14Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.32Å; H100-I102 VanDerWaalsContact C-N 3.27Å; H100-I102 PolarHBondContact O-N 2.7Å; H100-S103 PolarHBondContact O-N 2.65Å; H100-S103 PolarHBondContact O-OG 2.92Å; H100-T104 PolarHBondContact CE1-OG1 2.87Å; H100-T104 PolarHBondContact ND1-OG1 3.18Å; H100-T104 VanDerWaalsContact O-CB 3.23Å; H100-T104 WeakPolarHBondContact O-CB 3.5Å; H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.38Å; H100-Y105 AromaticContact CE1-CE2 3.92Å; H100-Y105 AromaticContact NE2-CE2 3.53Å
101L95.2Very high95.5Very high2 Ų269.4 Ų69.41%0.0137%0.367CS..Hα-helixtrans-64-34.9179.4-75.2-176.6000112.8L73 M97 T98 Y105 G106 I107 I110L73-L101 HydrophobicContact CD1-CD1 3.63Å; L73-L101 HydrophobicContact CD1-CD2 4.16Å; M97-L101 HydrophobicContact CE-CD1 3.62Å; M97-L101 HydrophobicContact CG-CD1 4.45Å; M97-L101 WeakPolarHBondContact O-CB 3.24Å; M97-L101 WeakPolarHBondContact O-CG 3.36Å; M97-L101 PolarHBondContact O-N 2.89Å; T98-L101 PolarHBondContact O-N 3.44Å; L101-Y105 HydrophobicContact CD2-CD2 3.63Å; L101-Y105 HydrophobicContact CD2-CE2 4Å; L101-Y105 CarbonylContact O-C 3.37Å; L101-Y105 PolarHBondContact O-N 3.31Å; L101-Y105 VanDerWaalsContact O-N 3.15Å; L101-G106 PolarHBondContact O-N 3.33Å; L101-G106 VanDerWaalsContact O-N 3.14Å; L101-I107 HydrophobicContact CB-CB 4.38Å; L101-I107 PolarHBondContact O-N 3.08Å; L101-I110 HydrophobicContact CB-CD1 3.81Å; L101-I110 HydrophobicContact CD1-CD1 3.53Å; L101-I110 HydrophobicContact CD1-CG1 3.73Å; L101-I110 HydrophobicContact CD1-CG2 4.45Å; L101-I110 HydrophobicContact CG-CD1 4.28Å
102I94.9Very high95.4Very high75 Ų7567.5 Ų67.539%0.38536%0.359SS..Hα-helixtrans-71.2-46.9176.1-67.3167.1000111T98 A99 H100 G106 I107 R108T98-I102 HydrophobicContact CG2-CD1 3.74Å; T98-I102 WeakPolarHBondContact O-CD1 3.48Å; T98-I102 VanDerWaalsContact O-CG1 3.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.29Å; T98-I102 PolarHBondContact O-N 3.07Å; A99-I102 PolarHBondContact O-N 2.94Å; H100-I102 VanDerWaalsContact C-N 3.27Å; H100-I102 PolarHBondContact O-N 2.7Å; I102-G106 WeakPolarHBondContact O-CA 3.5Å; I102-G106 PolarHBondContact O-N 2.71Å; I102-G106 VanDerWaalsContact O-N 3.09Å; I102-I107 VanDerWaalsContact CG1-O 3.24Å; I102-I107 WeakPolarHBondContact CG1-O 3.21Å; I102-R108 HydrophobicContact CG1-CG 4.48Å
103S96.5Very high95.5Very high96 Ų9663.5 Ų63.567%0.67133%0.332SS*.Hα-helixtrans-76.3-36.8-174.8640000113.1A99 H100A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 2.82Å; A99-S103 VanDerWaalsContact O-OG 3.09Å; H100-S103 PolarHBondContact O-N 2.65Å; H100-S103 PolarHBondContact O-OG 2.92Å
104T96.5Very high95.5Very high79 Ų7956.1 Ų56.149%0.48530%0.304SS..Hα-helixtrans-89.1-38.7-175.4-53.60000112.4H100H100-T104 PolarHBondContact CE1-OG1 2.87Å; H100-T104 PolarHBondContact ND1-OG1 3.18Å; H100-T104 VanDerWaalsContact O-CB 3.23Å; H100-T104 WeakPolarHBondContact O-CB 3.5Å; H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.38Å
105Y93.9Very high95.5Very high76 Ų7662 Ų6230%0.29832%0.323SS..Hα-helixtrans-120.1-2.3-173.6-50.7-74.5000113.9C84 H86 C87 H100 L101 I107C84-Y105 VanDerWaalsContact SG-CE2 3.55Å; H86-Y105 HydrophobicContact CB-CD1 4.06Å; H86-Y105 HydrophobicContact CB-CD2 4.46Å; H86-Y105 HydrophobicContact CB-CE1 3.35Å; H86-Y105 HydrophobicContact CB-CE2 3.83Å; H86-Y105 VanDerWaalsContact CB-OH 3.27Å; H86-Y105 WeakPolarHBondContact CB-OH 3.23Å; H86-Y105 AromaticContact CG-CE1 3.96Å; H86-Y105 PolarHBondContact O-OH 3.13Å; C87-Y105 VanDerWaalsContact CB-OH 3.32Å; C87-Y105 WeakPolarHBondContact CB-OH 3.39Å; C87-Y105 PolarHBondContact SG-OH 3.44Å; C87-Y105 VanDerWaalsContact SG-OH 3.33Å; H100-Y105 AromaticContact CE1-CE2 3.92Å; H100-Y105 AromaticContact NE2-CE2 3.53Å; L101-Y105 HydrophobicContact CD2-CD2 3.63Å; L101-Y105 HydrophobicContact CD2-CE2 4Å; L101-Y105 CarbonylContact O-C 3.37Å; L101-Y105 PolarHBondContact O-N 3.31Å; L101-Y105 VanDerWaalsContact O-N 3.15Å; Y105-I107 HydrophobicContact CG-CD1 4.45Å; Y105-I107 PolarHBondContact O-N 2.88Å
106G93.7Very high95.5Very high49 Ų4963.5 Ų63.551%0.50532%0.323SS..  trans6911.1-17600000114.3L101 I102 R108L101-G106 PolarHBondContact O-N 3.33Å; L101-G106 VanDerWaalsContact O-N 3.14Å; I102-G106 WeakPolarHBondContact O-CA 3.5Å; I102-G106 PolarHBondContact O-N 2.71Å; I102-G106 VanDerWaalsContact O-N 3.09Å; G106-R108 PolarHBondContact O-N 3.05Å
107I92.3Very high95.4Very high19 Ų1962.9 Ų62.910%0.09733%0.327CS..  trans-83.1109.4-173.6-59.8170.9000109.8L73 L101 I102 Y105 I110L73-I107 HydrophobicContact CD1-CD1 3.66Å; L73-I107 HydrophobicContact CD1-CG2 3.85Å; L73-I107 HydrophobicContact CD2-CD1 4.31Å; L73-I107 HydrophobicContact CG-CD1 3.94Å; L73-I107 HydrophobicContact CG-CG2 4.35Å; L101-I107 HydrophobicContact CB-CB 4.38Å; L101-I107 PolarHBondContact O-N 3.08Å; I102-I107 VanDerWaalsContact CG1-O 3.24Å; I102-I107 WeakPolarHBondContact CG1-O 3.21Å; Y105-I107 HydrophobicContact CG-CD1 4.45Å; Y105-I107 PolarHBondContact O-N 2.88Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å
108R91.1Very high95.4Very high211 Ų21169.7 Ų69.780%0.79636%0.358SS*.  trans-95.4-26.5-177.1-62.1179.2-176.1166.91.5114.3I102 G106I102-R108 HydrophobicContact CG1-CG 4.48Å; G106-R108 PolarHBondContact O-N 3.05Å
109K91.9Very high95.4Very high173 Ų17376 Ų7675%0.75238%0.379SS*.  trans-10095.7-175.5-68.5-177.7-177.6174.70109.6
110I93.6Very high95.5Very high25 Ų2577.2 Ų77.213%0.12838%0.38CS..  trans-114.2127.9178.7-57.4154.6000108.1M97 T98 L101 I107 F112M97-I110 HydrophobicContact CE-CG2 4.28Å; T98-I110 HydrophobicContact CG2-CD1 3.88Å; L101-I110 HydrophobicContact CB-CD1 3.81Å; L101-I110 HydrophobicContact CD1-CD1 3.53Å; L101-I110 HydrophobicContact CD1-CG1 3.73Å; L101-I110 HydrophobicContact CD1-CG2 4.45Å; L101-I110 HydrophobicContact CG-CD1 4.28Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å; I110-F112 HydrophobicContact CB-CE2 4.37Å; I110-F112 HydrophobicContact CG2-CD2 4.37Å; I110-F112 HydrophobicContact CG2-CE2 3.75Å; I110-F112 HydrophobicContact CG2-CZ 3.9Å
111S95.5Very high95.4Very high42 Ų4276.9 Ų76.929%0.29439%0.385SS..  trans-106.6140.6175690000110.1P75 V76P75-S111 WeakPolarHBondContact CA-O 3.17Å; V76-S111 PolarHBondContact N-O 3.33Å
112F97Very high95.4Very high0 Ų080.1 Ų80.10%041%0.408CS..EExtended strand (participates in β ladder)trans-114.1139.6177.7-66.9-92.5000109.7V76 F82 P94 M97 I110 T120 G121 T123 I126V76-F112 HydrophobicContact CB-CD1 4.45Å; V76-F112 CarbonylContact O-C 3.47Å; V76-F112 VanDerWaalsContact O-CA 3.24Å; V76-F112 WeakPolarHBondContact O-CA 3.22Å; F82-F112 HydrophobicContact CD1-CE1 4.17Å; F82-F112 HydrophobicContact CE1-CD1 4.24Å; F82-F112 HydrophobicContact CE1-CE1 4.11Å; P94-F112 HydrophobicContact CB-CE1 3.74Å; P94-F112 HydrophobicContact CB-CZ 3.82Å; M97-F112 HydrophobicContact SD-CE1 4.16Å; M97-F112 HydrophobicContact SD-CZ 4.47Å; I110-F112 HydrophobicContact CB-CE2 4.37Å; I110-F112 HydrophobicContact CG2-CD2 4.37Å; I110-F112 HydrophobicContact CG2-CE2 3.75Å; I110-F112 HydrophobicContact CG2-CZ 3.9Å; F112-T120 CarbonylContact O-C 3.46Å; F112-T120 WeakPolarHBondContact O-CA 3.43Å; F112-G121 PolarHBondContact N-O 2.69Å; F112-G121 PolarHBondContact O-N 2.78Å; F112-T123 WeakPolarHBondContact CE2-OG1 3.33Å; F112-I126 HydrophobicContact CB-CB 4.11Å; F112-I126 HydrophobicContact CB-CG1 4.19Å; F112-I126 HydrophobicContact CB-CG2 3.62Å; F112-I126 HydrophobicContact CG-CG2 4.23Å
113M97.8Very high95.5Very high33 Ų3378 Ų7816%0.16340%0.398CS..EExtended strand (participates in β ladder)trans-113.3128.3-177.8-178.9162.552.300111.3P75 V76 F77 F78 R115 Q118 R119 T120P75-M113 HydrophobicContact CB-CB 3.88Å; P75-M113 HydrophobicContact CB-CE 4.45Å; V76-M113 PolarHBondContact O-N 3.3Å; F77-M113 CarbonylContact C-O 3.45Å; F77-M113 WeakPolarHBondContact CA-O 3.16Å; F77-M113 HydrophobicContact CD1-CB 4.48Å; F77-M113 HydrophobicContact CD1-CE 3.8Å; F77-M113 HydrophobicContact CD1-CG 4.38Å; F77-M113 HydrophobicContact CE1-CE 3.16Å; F77-M113 HydrophobicContact CE1-CG 4.39Å; F77-M113 HydrophobicContact CE1-SD 4.26Å; F77-M113 HydrophobicContact CE2-CE 4.17Å; F77-M113 HydrophobicContact CZ-CE 3.39Å; F78-M113 PolarHBondContact N-O 2.95Å; M113-R115 PolarHBondContact O-N 2.89Å; M113-Q118 HydrophobicContact CG-CB 4.33Å; M113-Q118 HydrophobicContact SD-CB 4.02Å; M113-Q118 HydrophobicContact SD-CG 4.47Å; M113-R119 CarbonylContact C-O 3.56Å; M113-R119 WeakPolarHBondContact CA-O 3.42Å; M113-T120 HydrophobicContact CB-CG2 4.09Å; M113-T120 HydrophobicContact CG-CG2 4.21Å; M113-T120 HydrophobicContact SD-CG2 4.41Å
114C97.9Very high95.4Very high0 Ų079.9 Ų79.90%040%0.398CS..EExtended strand (participates in β ladder)trans-68.1121.5178.8-177.90000110K116 C117 Q118 R119 I126 H129C114-K116 PolarHBondContact O-N 3.06Å; C114-C117 PolarHBondContact O-N 2.96Å; C114-Q118 WeakPolarHBondContact O-CA 3.28Å; C114-Q118 PolarHBondContact O-N 2.77Å; C114-R119 HydrophobicContact CB-CB 4.37Å; C114-R119 PolarHBondContact N-O 3.12Å; C114-I126 HydrophobicContact CB-CD1 3.75Å; C114-I126 HydrophobicContact CB-CG1 4.44Å; C114-H129 PolarHBondContact SG-NE2 2.79Å; C114-H129 VanDerWaalsContact SG-NE2 3.42Å
115R96.7Very high95.5Very high147 Ų14778.7 Ų78.756%0.55540%0.396SS*.THydrogen-bonded Turntrans-63.2-25.7178.5-168.5175.1-68.6-152.70.8113.2F78 M113F78-R115 WeakPolarHBondContact O-CB 3.41Å; F78-R115 PolarHBondContact O-N 2.74Å; M113-R115 PolarHBondContact O-N 2.89Å
116K95.6Very high95.6Very high112 Ų11275.1 Ų75.149%0.48738%0.382SS..THydrogen-bonded Turntrans-79-34.9-178.2-69.6171.8175179.10114.2C114 Y130 C133C114-K116 PolarHBondContact O-N 3.06Å; K116-Y130 HydrophobicContact CD-CD2 4.11Å; K116-Y130 HydrophobicContact CD-CE2 3.63Å; K116-Y130 HydrophobicContact CG-CD2 4.48Å; K116-Y130 HydrophobicContact CG-CE2 3.8Å; K116-Y130 PolarHBondContact NZ-O 3.12Å; K116-C133 HydrophobicContact CB-CB 4.43Å; K116-C133 WeakPolarHBondContact CB-SG 3.22Å; K116-C133 HydrophobicContact CD-CB 3.92Å; K116-C133 WeakPolarHBondContact CD-O 3.42Å; K116-C133 PolarHBondContact NZ-O 2.84Å
117C96.1Very high95.8Very high64 Ų6475.5 Ų75.543%0.43238%0.377SS..THydrogen-bonded Turntrans-141.811-173.280.50000114.3C114 R119 H129C114-C117 PolarHBondContact O-N 2.96Å; C117-R119 PolarHBondContact O-N 2.88Å; C117-R119 VanDerWaalsContact SG-CB 3.54Å; C117-H129 VanDerWaalsContact SG-CE1 3.51Å; C117-H129 PolarHBondContact SG-NE2 3.01Å
118Q96.6Very high96Very high146 Ų14678.1 Ų78.168%0.68239%0.394SS*.  trans57.713.3178.4-55.8178.66.900115.8M113 C114 T120M113-Q118 HydrophobicContact CG-CB 4.33Å; M113-Q118 HydrophobicContact SD-CB 4.02Å; M113-Q118 HydrophobicContact SD-CG 4.47Å; C114-Q118 WeakPolarHBondContact O-CA 3.28Å; C114-Q118 PolarHBondContact O-N 2.77Å; Q118-T120 PolarHBondContact O-N 3.37Å
119R97Very high96.2Very high162 Ų16270 Ų7061%0.61137%0.365SS*.  trans-65.3133.8174.9-173.5175.5-174.4125.61.5109.8M113 C114 C117 I126M113-R119 CarbonylContact C-O 3.56Å; M113-R119 WeakPolarHBondContact CA-O 3.42Å; C114-R119 HydrophobicContact CB-CB 4.37Å; C114-R119 PolarHBondContact N-O 3.12Å; C117-R119 PolarHBondContact O-N 2.88Å; C117-R119 VanDerWaalsContact SG-CB 3.54Å; R119-I126 WeakPolarHBondContact O-CD1 3.23Å
120T97.3Very high96.4Very high82 Ų8264.8 Ų64.850%0.50334%0.341SS..EExtended strand (participates in β ladder)trans-98.5153.7176.456.30000112P75 F112 M113 Q118P75-T120 HydrophobicContact CB-CG2 4.21Å; P75-T120 HydrophobicContact CG-CG2 4.26Å; F112-T120 CarbonylContact O-C 3.46Å; F112-T120 WeakPolarHBondContact O-CA 3.43Å; M113-T120 HydrophobicContact CB-CG2 4.09Å; M113-T120 HydrophobicContact CG-CG2 4.21Å; M113-T120 HydrophobicContact SD-CG2 4.41Å; Q118-T120 PolarHBondContact O-N 3.37Å
121G96.5Very high96.5Very high22 Ų2266.7 Ų66.723%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-178.6179.9176.200000113.7F112F112-G121 PolarHBondContact N-O 2.69Å; F112-G121 PolarHBondContact O-N 2.78Å
122S95.5Very high96.5Very high70 Ų7072.7 Ų72.749%0.4937%0.373SS..  trans-68.5164.8169.468.90000111.1M124 A125 I126S122-M124 PolarHBondContact O-N 3.12Å; S122-A125 PolarHBondContact O-N 3.21Å; S122-A125 VanDerWaalsContact O-N 3.13Å; S122-A125 WeakPolarHBondContact OG-CB 3.24Å; S122-A125 PolarHBondContact OG-N 3.31Å; S122-I126 WeakPolarHBondContact O-CB 3.34Å; S122-I126 PolarHBondContact O-N 2.85Å
123T95.6Very high96.3Very high29 Ų2973.3 Ų73.318%0.17838%0.377CS..Hα-helixtrans-50.4-43.6178.5-46.30000113.2P94 F112 I126 S127P94-T123 HydrophobicContact CB-CG2 3.63Å; P94-T123 HydrophobicContact CG-CG2 3.55Å; F112-T123 WeakPolarHBondContact CE2-OG1 3.33Å; T123-I126 WeakPolarHBondContact O-CG2 3.48Å; T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.94Å; T123-S127 VanDerWaalsContact O-N 3.08Å
124M96Very high95.9Very high136 Ų13675.1 Ų75.167%0.6740%0.404SS*.Hα-helixtrans-73.2-44.2-179.6-65.2-59.7159.700111.7S122 I126 S127 V128S122-M124 PolarHBondContact O-N 3.12Å; M124-I126 VanDerWaalsContact C-N 3.35Å; M124-I126 PolarHBondContact O-N 3.2Å; M124-S127 PolarHBondContact O-N 3.13Å; M124-V128 WeakPolarHBondContact O-CG2 3.02Å; M124-V128 PolarHBondContact O-N 2.83Å; M124-V128 VanDerWaalsContact O-N 3.13Å
125A97.1Very high95.3Very high54 Ų5483.9 Ų83.945%0.44644%0.437SS..Hα-helixtrans-62.1-44.417900000111.3S122 H129S122-A125 PolarHBondContact O-N 3.21Å; S122-A125 VanDerWaalsContact O-N 3.13Å; S122-A125 WeakPolarHBondContact OG-CB 3.24Å; S122-A125 PolarHBondContact OG-N 3.31Å; A125-H129 WeakPolarHBondContact O-CB 3.41Å; A125-H129 PolarHBondContact O-N 3.34Å
126I97.4Very high94Very high2 Ų282.4 Ų82.41%0.0144%0.444CS..Hα-helixtrans-70.6-37.7-178.7-154.163000112.1F78 F112 C114 R119 S122 T123 M124 H129 Y130F78-I126 HydrophobicContact CB-CG1 4.09Å; F78-I126 HydrophobicContact CB-CG2 4.3Å; F78-I126 HydrophobicContact CD2-CG2 3.89Å; F78-I126 HydrophobicContact CE2-CG2 4.36Å; F78-I126 HydrophobicContact CG-CG1 4.34Å; F78-I126 HydrophobicContact CG-CG2 3.97Å; F112-I126 HydrophobicContact CB-CB 4.11Å; F112-I126 HydrophobicContact CB-CG1 4.19Å; F112-I126 HydrophobicContact CB-CG2 3.62Å; F112-I126 HydrophobicContact CG-CG2 4.23Å; C114-I126 HydrophobicContact CB-CD1 3.75Å; C114-I126 HydrophobicContact CB-CG1 4.44Å; R119-I126 WeakPolarHBondContact O-CD1 3.23Å; S122-I126 WeakPolarHBondContact O-CB 3.34Å; S122-I126 PolarHBondContact O-N 2.85Å; T123-I126 WeakPolarHBondContact O-CG2 3.48Å; M124-I126 VanDerWaalsContact C-N 3.35Å; M124-I126 PolarHBondContact O-N 3.2Å; I126-H129 PolarHBondContact O-N 3.36Å; I126-Y130 VanDerWaalsContact O-CB 3.28Å; I126-Y130 WeakPolarHBondContact O-CB 3.46Å; I126-Y130 PolarHBondContact O-N 3.05Å
127S96.5Very high92.5Very high56 Ų5687.1 Ų87.139%0.39246%0.459SS..Hα-helixtrans-62.9-49.6178.7177.20000111T123 M124 H129 Y130 S131T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.94Å; T123-S127 VanDerWaalsContact O-N 3.08Å; M124-S127 PolarHBondContact O-N 3.13Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 PolarHBondContact O-N 2.82Å; S127-Y130 PolarHBondContact O-N 2.89Å; S127-S131 PolarHBondContact O-N 3.34Å
128V96.6Very high90.9Very high74 Ų7488.6 Ų88.645%0.44847%0.466SS..Hα-helixtrans-61.7-43.8175.3175.90000110.6M124 S131M124-V128 WeakPolarHBondContact O-CG2 3.02Å; M124-V128 PolarHBondContact O-N 2.83Å; M124-V128 VanDerWaalsContact O-N 3.13Å; V128-S131 PolarHBondContact O-OG 2.96Å
129H96.4Very high89.2Confident41 Ų4187.4 Ų87.419%0.1946%0.464CS..Hα-helixtrans-60.7-49.4177.3167.975.2000111.9C114 C117 A125 I126 S127 S131 R132 C133C114-H129 PolarHBondContact SG-NE2 2.79Å; C114-H129 VanDerWaalsContact SG-NE2 3.42Å; C117-H129 VanDerWaalsContact SG-CE1 3.51Å; C117-H129 PolarHBondContact SG-NE2 3.01Å; A125-H129 WeakPolarHBondContact O-CB 3.41Å; A125-H129 PolarHBondContact O-N 3.34Å; I126-H129 PolarHBondContact O-N 3.36Å; S127-H129 VanDerWaalsContact C-N 3.33Å; S127-H129 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.24Å; H129-R132 CarbonylContact O-C 3.42Å; H129-R132 WeakPolarHBondContact O-CA 3.4Å; H129-R132 PolarHBondContact O-N 2.92Å; H129-C133 WeakPolarHBondContact NE2-CB 3.47Å; H129-C133 PolarHBondContact NE2-SG 3.32Å; H129-C133 WeakPolarHBondContact O-CB 3.2Å; H129-C133 PolarHBondContact O-N 3.36Å
130Y96.8Very high87.5Confident63 Ų6383.6 Ų83.625%0.24746%0.456CS..Hα-helixtrans-58.4-37.1-175.2-175.3-98.2000112.7F78 P79 K116 I126 S127 R132 C133F78-Y130 HydrophobicContact CD1-CD1 4.13Å; F78-Y130 AromaticContact CD1-CD2 3.88Å; F78-Y130 HydrophobicContact CD1-CD2 3.88Å; F78-Y130 AromaticContact CD1-CG 3.59Å; F78-Y130 HydrophobicContact CD1-CG 3.59Å; F78-Y130 AromaticContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD1 3.74Å; F78-Y130 HydrophobicContact CE1-CD2 4.31Å; F78-Y130 AromaticContact CE1-CG 3.58Å; F78-Y130 HydrophobicContact CE1-CG 3.58Å; P79-Y130 VanDerWaalsContact CD-OH 3.29Å; P79-Y130 WeakPolarHBondContact CD-OH 3.37Å; P79-Y130 HydrophobicContact CG-CE1 4.03Å; P79-Y130 HydrophobicContact CG-CE2 4.23Å; P79-Y130 WeakPolarHBondContact CG-OH 3.19Å; K116-Y130 HydrophobicContact CD-CD2 4.11Å; K116-Y130 HydrophobicContact CD-CE2 3.63Å; K116-Y130 HydrophobicContact CG-CD2 4.48Å; K116-Y130 HydrophobicContact CG-CE2 3.8Å; K116-Y130 PolarHBondContact NZ-O 3.12Å; I126-Y130 VanDerWaalsContact O-CB 3.28Å; I126-Y130 WeakPolarHBondContact O-CB 3.46Å; I126-Y130 PolarHBondContact O-N 3.05Å; S127-Y130 PolarHBondContact O-N 2.89Å; Y130-R132 PolarHBondContact O-N 3.29Å; Y130-C133 PolarHBondContact O-N 3.01Å
131S95.1Very high86.1Confident66 Ų6683.7 Ų83.746%0.46246%0.46SS..Hα-helixtrans-63-25.6175.175.70000113.8S127 V128 H129 R135S127-S131 PolarHBondContact O-N 3.34Å; V128-S131 PolarHBondContact O-OG 2.96Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.24Å; S131-R135 PolarHBondContact O-NE 3.05Å
132R94.1Very high84.9Confident168 Ų16889.8 Ų89.863%0.63449%0.488SS*.Hα-helixtrans-104.1-12.8178.5-62.1175.4179.3173.4-0.7112.2H129 Y130 R135H129-R132 CarbonylContact O-C 3.42Å; H129-R132 WeakPolarHBondContact O-CA 3.4Å; H129-R132 PolarHBondContact O-N 2.92Å; Y130-R132 PolarHBondContact O-N 3.29Å; R132-R135 WeakPolarHBondContact O-CB 3.17Å; R132-R135 PolarHBondContact O-N 3.29Å
133C94.7Very high84.3Confident12 Ų1292.5 Ų92.58%0.08150%0.497CS..THydrogen-bonded Turntrans-73.4132.2-174.8-170.50000110.4K116 H129 Y130 R135K116-C133 HydrophobicContact CB-CB 4.43Å; K116-C133 WeakPolarHBondContact CB-SG 3.22Å; K116-C133 HydrophobicContact CD-CB 3.92Å; K116-C133 WeakPolarHBondContact CD-O 3.42Å; K116-C133 PolarHBondContact NZ-O 2.84Å; H129-C133 WeakPolarHBondContact NE2-CB 3.47Å; H129-C133 PolarHBondContact NE2-SG 3.32Å; H129-C133 WeakPolarHBondContact O-CB 3.2Å; H129-C133 PolarHBondContact O-N 3.36Å; Y130-C133 PolarHBondContact O-N 3.01Å; C133-R135 PolarHBondContact O-N 3.23Å
134G88.9Confident83.9Confident71 Ų7196 Ų9673%0.73251%0.509SS*.THydrogen-bonded Turntrans81.1-9.9-173.600000114T136G134-T136 VanDerWaalsContact C-N 3.34Å; G134-T136 PolarHBondContact O-N 2.96Å
135R85.1Confident83.7Confident185 Ų18591.6 Ų91.670%0.69849%0.49SS*.  trans-66.4108.2157.4-59.1-174.1-168.7-165.1-1.9104S131 R132 C133 R137S131-R135 PolarHBondContact O-NE 3.05Å; R132-R135 WeakPolarHBondContact O-CB 3.17Å; R132-R135 PolarHBondContact O-N 3.29Å; C133-R135 PolarHBondContact O-N 3.23Å; R135-R137 PolarHBondContact O-N 2.93Å
136T70Confident83.5Confident116 Ų11692.6 Ų92.671%0.71249%0.492SS*.  trans-44.9118.3152.928.60000103.3G134 T138G134-T136 VanDerWaalsContact C-N 3.34Å; G134-T136 PolarHBondContact O-N 2.96Å; T136-T138 PolarHBondContact O-N 3.01Å
137R62.7Low83.3Confident211 Ų21193.1 Ų93.180%0.79650%0.496SS*.  trans-55.2101.8152.8-83.9-177167.9175.1-4.7100.3R135 N139R135-R137 PolarHBondContact O-N 2.93Å; R137-N139 PolarHBondContact O-N 3.43Å
138T63.8Low82.9Confident94 Ų9496.3 Ų96.358%0.57751%0.508SS*.  trans-60.888.2151.666.9000099.9T136 D140T136-T138 PolarHBondContact O-N 3.01Å; T138-D140 WeakPolarHBondContact CB-OD2 3.35Å; T138-D140 PolarHBondContact O-N 3.06Å; T138-D140 PolarHBondContact OG1-OD2 3.38Å
139N60.3Low82.6Confident121 Ų12193.2 Ų93.265%0.64749%0.49SS*.  trans-66.860.5153.7-75.6-25.8000102.6R137 S141R137-N139 PolarHBondContact O-N 3.43Å; N139-S141 PolarHBondContact O-N 2.99Å
140D61.8Low82.3Confident82 Ų8295.7 Ų95.744%0.43951%0.51SS..  trans-6276.4148.4-61.8-38.2000101.4T138 N142 N143T138-D140 WeakPolarHBondContact CB-OD2 3.35Å; T138-D140 PolarHBondContact O-N 3.06Å; T138-D140 PolarHBondContact OG1-OD2 3.38Å; D140-N142 PolarHBondContact O-N 2.83Å; D140-N143 HydrophobicContact CB-CB 3.58Å; D140-N143 WeakPolarHBondContact O-CA 3.45Å; D140-N143 WeakPolarHBondContact O-CB 3.28Å; D140-N143 PolarHBondContact O-N 3.36Å
141S67.5Low82.1Confident85 Ų85100.6 Ų100.659%0.59454%0.54SS*.THydrogen-bonded Turntrans-53.8-16.2162.146.80000109.3N139 K144N139-S141 PolarHBondContact O-N 2.99Å; S141-K144 VanDerWaalsContact O-CE 3.28Å; S141-K144 WeakPolarHBondContact O-CE 3.43Å; S141-K144 WeakPolarHBondContact O-CG 3.37Å
142N71.7Confident82.1Confident150 Ų15098.3 Ų98.380%0.80252%0.524SS*.THydrogen-bonded Turntrans-76.4-25.2167.3-69.7-15.9000114.8D140 K144D140-N142 PolarHBondContact O-N 2.83Å; N142-K144 PolarHBondContact O-N 3.17Å
143N82.5Confident82.1Confident127 Ų12795.7 Ų95.768%0.67953%0.529SS*.  trans-82.854.8178.3-142.61.1000110.8D140D140-N143 HydrophobicContact CB-CB 3.58Å; D140-N143 WeakPolarHBondContact O-CA 3.45Å; D140-N143 WeakPolarHBondContact O-CB 3.28Å; D140-N143 PolarHBondContact O-N 3.36Å
144K88.1Confident82.1Confident102 Ų10295.3 Ų95.344%0.44353%0.527SS..  trans-75.3130.9171-59.4179.2-176.9177.20108S141 N142 P146 K155 F156S141-K144 VanDerWaalsContact O-CE 3.28Å; S141-K144 WeakPolarHBondContact O-CE 3.43Å; S141-K144 WeakPolarHBondContact O-CG 3.37Å; N142-K144 PolarHBondContact O-N 3.17Å; K144-P146 VanDerWaalsContact O-CD 3.29Å; K144-P146 WeakPolarHBondContact O-CD 3.46Å; K144-K155 HydrophobicContact CB-CB 3.78Å; K144-K155 HydrophobicContact CD-CB 3.93Å; K144-K155 HydrophobicContact CG-CB 4.48Å; K144-F156 CarbonylContact C-O 2.95Å; K144-F156 WeakPolarHBondContact CA-O 3.29Å
145V90.5Very high82.4Confident43 Ų4399 Ų9926%0.26152%0.523SS..EExtended strand (participates in β ladder)trans-71.4115.2174.2-1740000108.2F156 M162V145-F156 PolarHBondContact N-O 3.02Å; V145-F156 PolarHBondContact O-N 2.72Å; V145-M162 HydrophobicContact CG1-CB 4.2Å; V145-M162 HydrophobicContact CG1-CE 3.58Å; V145-M162 HydrophobicContact CG1-CG 4.11Å
146P93.1Very high82.8Confident76 Ų7692.1 Ų92.149%0.49450%0.498SS..EExtended strand (participates in β ladder)trans-69.4154.3176.530.2-34.3000110.6K144K144-P146 VanDerWaalsContact O-CD 3.29Å; K144-P146 WeakPolarHBondContact O-CD 3.46Å
147C93.9Very high83.9Confident13 Ų1395.5 Ų95.59%0.08851%0.506CS..  trans-66.2140.8169.4-163.80000109.8C152 G154C147-C152 HydrophobicContact CB-CB 3.81Å; C147-C152 VanDerWaalsContact CB-SG 3.58Å; C147-G154 WeakPolarHBondContact CB-O 3.21Å; C147-G154 PolarHBondContact N-O 2.8Å
148L88.3Confident85.2Confident122 Ų12288.2 Ų88.264%0.63949%0.487SS*.SBendtrans-85.3-10.4-179-62.9176.2000113.3M162L148-M162 HydrophobicContact CD1-CE 4.35Å; L148-M162 HydrophobicContact CD1-SD 4.42Å; L148-M162 HydrophobicContact CG-CE 4.48Å; L148-M162 HydrophobicContact CG-SD 4.33Å
149A90.1Very high86.5Confident9 Ų987.5 Ų87.57%0.07448%0.48CS..SBendtrans-72.4137.5177.400000109.9D151 C152 H170A149-D151 PolarHBondContact O-N 3.41Å; A149-C152 HydrophobicContact CB-CB 3.99Å; A149-C152 PolarHBondContact O-N 3.37Å; A149-H170 HydrophobicContact CB-CB 3.95Å; A149-H170 VanDerWaalsContact CB-CG 3.41Å
150P90Very high88.1Confident94 Ų9485.1 Ų85.161%0.6148%0.477SS*.THydrogen-bonded Turntrans-55.8138.2172.525.2-31.8000108.9C152P150-C152 PolarHBondContact O-N 2.99Å; P150-C152 VanDerWaalsContact O-N 3.13Å
151D91.6Very high89.7Confident166 Ų16682.2 Ų82.289%0.88847%0.466SS*.THydrogen-bonded Turntrans64.414.9176.4-45.3-48.2000116.2A149 P153A149-D151 PolarHBondContact O-N 3.41Å; D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.29Å
152C95.4Very high91Very high18 Ų1878.8 Ų78.812%0.12244%0.441CS..  trans-93.8109.1173.1-173.70000111.6C147 A149 P150 G154 R165 H170C147-C152 HydrophobicContact CB-CB 3.81Å; C147-C152 VanDerWaalsContact CB-SG 3.58Å; A149-C152 HydrophobicContact CB-CB 3.99Å; A149-C152 PolarHBondContact O-N 3.37Å; P150-C152 PolarHBondContact O-N 2.99Å; P150-C152 VanDerWaalsContact O-N 3.13Å; C152-G154 PolarHBondContact O-N 2.92Å; C152-R165 PolarHBondContact SG-NE 3.34Å; C152-H170 PolarHBondContact SG-NE2 3.15Å
153P94.5Very high92.1Very high112 Ų11278.4 Ų78.473%0.72743%0.428SS*.  trans-74.22.2-179.131.1-36.9000113.6D151 K155D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.29Å; P153-K155 PolarHBondContact O-N 3.28Å
154G94.9Very high92.8Very high5 Ų577.3 Ų77.35%0.05242%0.422CS..  trans-63126.4-176.300000112.6C147 C152C147-G154 WeakPolarHBondContact CB-O 3.21Å; C147-G154 PolarHBondContact N-O 2.8Å; C152-G154 PolarHBondContact O-N 2.92Å
155K95.1Very high93.2Very high147 Ų14776.5 Ų76.564%0.63942%0.416SS*.EExtended strand (participates in β ladder)trans-122.1137.3173.8-63.7-178-176.1179.80109.7K144 P153K144-K155 HydrophobicContact CB-CB 3.78Å; K144-K155 HydrophobicContact CD-CB 3.93Å; K144-K155 HydrophobicContact CG-CB 4.48Å; P153-K155 PolarHBondContact O-N 3.28Å
156F93.5Very high93.4Very high41 Ų4175 Ų7518%0.1841%0.408CS..EExtended strand (participates in β ladder)trans-125.4144.4-170.7-66.3-85.3000113.2K144 V145 S158 G161 M162 R165K144-F156 CarbonylContact C-O 2.95Å; K144-F156 WeakPolarHBondContact CA-O 3.29Å; V145-F156 PolarHBondContact N-O 3.02Å; V145-F156 PolarHBondContact O-N 2.72Å; F156-S158 WeakPolarHBondContact CB-O 3.39Å; F156-S158 PolarHBondContact O-N 3.22Å; F156-G161 VanDerWaalsContact CD1-C 3.47Å; F156-M162 HydrophobicContact CB-CB 4.01Å; F156-M162 VanDerWaalsContact CD2-CA 3.43Å; F156-M162 HydrophobicContact CD2-CB 3.53Å; F156-M162 HydrophobicContact CD2-CG 4.03Å; F156-M162 HydrophobicContact CE2-CB 4.25Å; F156-M162 HydrophobicContact CG-CB 3.84Å; F156-R165 HydrophobicContact CE1-CB 4.17Å; F156-R165 HydrophobicContact CE2-CB 3.99Å; F156-R165 HydrophobicContact CE2-CG 4.42Å; F156-R165 HydrophobicContact CZ-CB 3.4Å; F156-R165 VanDerWaalsContact CZ-CB 3.4Å; F156-R165 HydrophobicContact CZ-CG 3.96Å
157Q91.6Very high93.5Very high187 Ų18778.6 Ų78.687%0.87441%0.411SS*.SBendtrans-71.5-17.3171.8-64.3-178.7-300113.1
158S91.3Very high93.6Very high58 Ų5882 Ų8241%0.40643%0.432SS..SBendtrans-140.3149.1179.474.50000112.1F156 A160 G161 M162F156-S158 WeakPolarHBondContact CB-O 3.39Å; F156-S158 PolarHBondContact O-N 3.22Å; S158-A160 PolarHBondContact O-N 3.34Å; S158-G161 PolarHBondContact O-N 3.13Å; S158-G161 PolarHBondContact OG-N 3.42Å; S158-G161 VanDerWaalsContact OG-N 3.12Å; S158-M162 PolarHBondContact O-N 3.31Å; S158-M162 VanDerWaalsContact O-N 3.12Å
159L91.3Very high94.1Very high80 Ų8082.3 Ų82.342%0.41943%0.43SS..Hα-helixtrans-63.4-27.6173.9-170.9139.3000112.1M162 R163L159-M162 HydrophobicContact CD1-CE 4.38Å; L159-M162 HydrophobicContact CG-CE 4Å; L159-R163 HydrophobicContact CD2-CG 4.19Å; L159-R163 VanDerWaalsContact CD2-NE 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.29Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.16Å
160A93.6Very high94.3Very high71 Ų7183.4 Ų83.459%0.58743%0.434SS*.Hα-helixtrans-65.9-45.2173.500000111.9S158 R163 L164S158-A160 PolarHBondContact O-N 3.34Å; A160-R163 PolarHBondContact O-N 3.23Å; A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.44Å
161G94.9Very high94.5Very high21 Ų2182.3 Ų82.322%0.21643%0.426CS..Hα-helixtrans-63.3-41.7175.600000112.4F156 S158 L164 R165F156-G161 VanDerWaalsContact CD1-C 3.47Å; S158-G161 PolarHBondContact O-N 3.13Å; S158-G161 PolarHBondContact OG-N 3.42Å; S158-G161 VanDerWaalsContact OG-N 3.12Å; G161-L164 WeakPolarHBondContact O-CB 3.5Å; G161-L164 PolarHBondContact O-N 3.12Å; G161-R165 PolarHBondContact O-N 3.49Å
162M95.4Very high94.7Very high12 Ų1279.7 Ų79.76%0.05942%0.416CS..Hα-helixtrans-61.4-47.3174.5177.9-87.5-74.300111.9V145 L148 F156 S158 L159 L164 R165 A166V145-M162 HydrophobicContact CG1-CB 4.2Å; V145-M162 HydrophobicContact CG1-CE 3.58Å; V145-M162 HydrophobicContact CG1-CG 4.11Å; L148-M162 HydrophobicContact CD1-CE 4.35Å; L148-M162 HydrophobicContact CD1-SD 4.42Å; L148-M162 HydrophobicContact CG-CE 4.48Å; L148-M162 HydrophobicContact CG-SD 4.33Å; F156-M162 HydrophobicContact CB-CB 4.01Å; F156-M162 VanDerWaalsContact CD2-CA 3.43Å; F156-M162 HydrophobicContact CD2-CB 3.53Å; F156-M162 HydrophobicContact CD2-CG 4.03Å; F156-M162 HydrophobicContact CE2-CB 4.25Å; F156-M162 HydrophobicContact CG-CB 3.84Å; S158-M162 PolarHBondContact O-N 3.31Å; S158-M162 VanDerWaalsContact O-N 3.12Å; L159-M162 HydrophobicContact CD1-CE 4.38Å; L159-M162 HydrophobicContact CG-CE 4Å; M162-L164 VanDerWaalsContact C-N 3.26Å; M162-L164 PolarHBondContact O-N 2.82Å; M162-R165 PolarHBondContact O-N 3.39Å; M162-A166 WeakPolarHBondContact O-CB 3.47Å; M162-A166 PolarHBondContact O-N 3.37Å
163R94.8Very high94.6Very high142 Ų14282.4 Ų82.454%0.53643%0.427SS..Hα-helixtrans-60.9-35.5175.6-77.9179.8174163.22.6112.4L159 A160 R167 F174L159-R163 HydrophobicContact CD2-CG 4.19Å; L159-R163 VanDerWaalsContact CD2-NE 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.29Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 3.16Å; A160-R163 PolarHBondContact O-N 3.23Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 3.03Å; R163-F174 HydrophobicContact CB-CE2 4.34Å; R163-F174 HydrophobicContact CG-CE2 4.46Å
164L96.2Very high94.6Very high104 Ų10478.5 Ų78.555%0.54540%0.399SS..Hα-helixtrans-66.4-48.4177-17762.7000111A160 G161 M162 A166 R167 T168A160-L164 WeakPolarHBondContact O-CB 3.42Å; A160-L164 PolarHBondContact O-N 3.44Å; G161-L164 WeakPolarHBondContact O-CB 3.5Å; G161-L164 PolarHBondContact O-N 3.12Å; M162-L164 VanDerWaalsContact C-N 3.26Å; M162-L164 PolarHBondContact O-N 2.82Å; L164-A166 PolarHBondContact O-N 2.98Å; L164-R167 PolarHBondContact O-N 3.21Å; L164-T168 HydrophobicContact CD1-CG2 4.36Å; L164-T168 PolarHBondContact O-N 3.08Å; L164-T168 PolarHBondContact O-OG1 3.02Å; L164-T168 VanDerWaalsContact O-OG1 3.12Å
165R96.5Very high94.4Very high86 Ų8682.9 Ų82.933%0.32542%0.424SS..Hα-helixtrans-61.5-43.7174.8177.6166.4-178162.9-2.5111.9C152 F156 G161 M162 R167 T168 Q169C152-R165 PolarHBondContact SG-NE 3.34Å; F156-R165 HydrophobicContact CE1-CB 4.17Å; F156-R165 HydrophobicContact CE2-CB 3.99Å; F156-R165 HydrophobicContact CE2-CG 4.42Å; F156-R165 HydrophobicContact CZ-CB 3.4Å; F156-R165 VanDerWaalsContact CZ-CB 3.4Å; F156-R165 HydrophobicContact CZ-CG 3.96Å; G161-R165 PolarHBondContact O-N 3.49Å; M162-R165 PolarHBondContact O-N 3.39Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.96Å; R165-T168 PolarHBondContact O-N 3Å; R165-T168 PolarHBondContact O-OG1 3.19Å; R165-Q169 HydrophobicContact CG-CB 4.11Å; R165-Q169 HydrophobicContact CG-CG 3.9Å; R165-Q169 WeakPolarHBondContact O-CB 3.41Å; R165-Q169 PolarHBondContact O-N 2.83Å
166A95.1Very high94.2Very high10 Ų1079.9 Ų79.98%0.08343%0.427CS..Hα-helixtrans-57.3-44.4176.600000110.5M162 L164 T168 H170 F174M162-A166 WeakPolarHBondContact O-CB 3.47Å; M162-A166 PolarHBondContact O-N 3.37Å; L164-A166 PolarHBondContact O-N 2.98Å; A166-T168 PolarHBondContact O-N 3.31Å; A166-H170 CarbonylContact O-C 3.49Å; A166-H170 VanDerWaalsContact O-CA 3.22Å; A166-H170 WeakPolarHBondContact O-CA 3.5Å; A166-H170 WeakPolarHBondContact O-CB 3.43Å; A166-H170 PolarHBondContact O-N 3.34Å; A166-F174 HydrophobicContact CB-CB 4.22Å; A166-F174 HydrophobicContact CB-CD2 3.57Å; A166-F174 HydrophobicContact CB-CE2 4.39Å; A166-F174 HydrophobicContact CB-CG 4.26Å; A166-F174 WeakPolarHBondContact O-CB 3.45Å
167R95.5Very high93.9Very high152 Ų15281.8 Ų81.857%0.57444%0.442SS*.Hα-helixtrans-63.8-38.7177.5-172.4-177.7-60.3177.30.3113.9R163 L164 R165 F174R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 PolarHBondContact O-N 3.03Å; L164-R167 PolarHBondContact O-N 3.21Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.96Å; R167-F174 HydrophobicContact CB-CD1 4.01Å; R167-F174 HydrophobicContact CB-CE1 4.03Å; R167-F174 HydrophobicContact CB-CG 4.26Å; R167-F174 HydrophobicContact CB-CZ 4.29Å; R167-F174 HydrophobicContact CG-CD1 4.15Å; R167-F174 HydrophobicContact CG-CE1 4.07Å
168T96.8Very high93.7Very high85 Ų8580 Ų8052%0.52143%0.427SS..Hα-helixtrans-89.3-38.4-173.354.60000113.7L164 R165 A166L164-T168 HydrophobicContact CD1-CG2 4.36Å; L164-T168 PolarHBondContact O-N 3.08Å; L164-T168 PolarHBondContact O-OG1 3.02Å; L164-T168 VanDerWaalsContact O-OG1 3.12Å; R165-T168 PolarHBondContact O-N 3Å; R165-T168 PolarHBondContact O-OG1 3.19Å; A166-T168 PolarHBondContact O-N 3.31Å
169Q97.1Very high93.3Very high128 Ų12882.6 Ų82.660%0.59844%0.443SS*.Hα-helixtrans-100.8-22.2-175-58.8-60.8-40.300113R165 P171R165-Q169 HydrophobicContact CG-CB 4.11Å; R165-Q169 HydrophobicContact CG-CG 3.9Å; R165-Q169 WeakPolarHBondContact O-CB 3.41Å; R165-Q169 PolarHBondContact O-N 2.83Å; Q169-P171 VanDerWaalsContact C-CD 3.43Å
170H95.1Very high92.9Very high33 Ų3383 Ų8315%0.15346%0.458CS..  trans-132.153.1-175.6-51.5-61.7000110.8A149 C152 A166 V172 E173 F174A149-H170 HydrophobicContact CB-CB 3.95Å; A149-H170 VanDerWaalsContact CB-CG 3.41Å; C152-H170 PolarHBondContact SG-NE2 3.15Å; A166-H170 CarbonylContact O-C 3.49Å; A166-H170 VanDerWaalsContact O-CA 3.22Å; A166-H170 WeakPolarHBondContact O-CA 3.5Å; A166-H170 WeakPolarHBondContact O-CB 3.43Å; A166-H170 PolarHBondContact O-N 3.34Å; H170-V172 PolarHBondContact O-N 3.07Å; H170-E173 VanDerWaalsContact C-OE2 3.25Å; H170-E173 VanDerWaalsContact CA-OE2 3.25Å; H170-E173 WeakPolarHBondContact CA-OE2 3.43Å; H170-E173 HydrophobicContact CB-CB 4.24Å; H170-E173 VanDerWaalsContact CB-OE2 3.28Å; H170-E173 WeakPolarHBondContact CB-OE2 3.48Å; H170-E173 PolarHBondContact O-N 3.46Å; H170-F174 WeakPolarHBondContact O-CB 3.24Å; H170-F174 PolarHBondContact O-N 3.41Å
171P94.9Very high92.2Very high70 Ų7085.5 Ų85.546%0.45546%0.461SS..Hα-helixtrans-60.3-32.8-170.624.7-34.2000112.3Q169 V175Q169-P171 VanDerWaalsContact C-CD 3.43Å; P171-V175 WeakPolarHBondContact O-CB 3.34Å; P171-V175 WeakPolarHBondContact O-CG2 3.35Å; P171-V175 PolarHBondContact O-N 3.23Å
172V94.9Very high91.5Very high111 Ų11194.4 Ų94.467%0.67349%0.494SS*.Hα-helixtrans-70.7-51.2-179.2-177.50000110.7H170 F174 V175 A176H170-V172 PolarHBondContact O-N 3.07Å; V172-F174 VanDerWaalsContact C-N 3.32Å; V172-F174 PolarHBondContact O-N 3.3Å; V172-V175 PolarHBondContact O-N 2.77Å; V172-A176 PolarHBondContact O-N 3.04Å; V172-A176 VanDerWaalsContact O-N 3.08Å
173E93.6Very high90.7Very high76 Ų76104.4 Ų104.436%0.35553%0.531SS..Hα-helixtrans-65.4-38178.5-58.577.4-173.200111.1H170 A176 T177H170-E173 VanDerWaalsContact C-OE2 3.25Å; H170-E173 VanDerWaalsContact CA-OE2 3.25Å; H170-E173 WeakPolarHBondContact CA-OE2 3.43Å; H170-E173 HydrophobicContact CB-CB 4.24Å; H170-E173 VanDerWaalsContact CB-OE2 3.28Å; H170-E173 WeakPolarHBondContact CB-OE2 3.48Å; H170-E173 PolarHBondContact O-N 3.46Å; E173-A176 PolarHBondContact O-N 3.01Å; E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.14Å
174F94.3Very high90Very high30 Ų30101.9 Ų101.913%0.13253%0.533CS..Hα-helixtrans-63.2-42.7176.6-178.2-102.7000111.7R163 A166 R167 H170 V172 T177 R178R163-F174 HydrophobicContact CB-CE2 4.34Å; R163-F174 HydrophobicContact CG-CE2 4.46Å; A166-F174 HydrophobicContact CB-CB 4.22Å; A166-F174 HydrophobicContact CB-CD2 3.57Å; A166-F174 HydrophobicContact CB-CE2 4.39Å; A166-F174 HydrophobicContact CB-CG 4.26Å; A166-F174 WeakPolarHBondContact O-CB 3.45Å; R167-F174 HydrophobicContact CB-CD1 4.01Å; R167-F174 HydrophobicContact CB-CE1 4.03Å; R167-F174 HydrophobicContact CB-CG 4.26Å; R167-F174 HydrophobicContact CB-CZ 4.29Å; R167-F174 HydrophobicContact CG-CD1 4.15Å; R167-F174 HydrophobicContact CG-CE1 4.07Å; H170-F174 WeakPolarHBondContact O-CB 3.24Å; H170-F174 PolarHBondContact O-N 3.41Å; V172-F174 VanDerWaalsContact C-N 3.32Å; V172-F174 PolarHBondContact O-N 3.3Å; F174-T177 WeakPolarHBondContact CA-OG1 3.27Å; F174-T177 PolarHBondContact O-N 3.39Å; F174-T177 PolarHBondContact O-OG1 3.24Å; F174-T177 VanDerWaalsContact O-OG1 3.05Å; F174-R178 WeakPolarHBondContact O-CG 3.45Å; F174-R178 PolarHBondContact O-N 2.92Å
175V91.6Very high89.3Confident96 Ų96106.1 Ų106.158%0.58254%0.541SS*.Hα-helixtrans-65.4-41.7176.3170.20000111P171 V172 T177 R178P171-V175 WeakPolarHBondContact O-CB 3.34Å; P171-V175 WeakPolarHBondContact O-CG2 3.35Å; P171-V175 PolarHBondContact O-N 3.23Å; V172-V175 PolarHBondContact O-N 2.77Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.48Å; V175-R178 WeakPolarHBondContact O-CB 3.47Å; V175-R178 PolarHBondContact O-N 3.05Å
176A91.1Very high88.7Confident84 Ų84105.2 Ų105.269%0.69454%0.538SS*.Hα-helixtrans-63.5-32.6178.200000113.4V172 E173V172-A176 PolarHBondContact O-N 3.04Å; V172-A176 VanDerWaalsContact O-N 3.08Å; E173-A176 PolarHBondContact O-N 3.01Å
177T87.1Confident88.3Confident82 Ų82106.4 Ų106.450%0.50355%0.551SS.*THydrogen-bonded Turntrans-85.9-5.9178.951.50000114E173 F174 V175E173-T177 WeakPolarHBondContact O-CG2 3.47Å; E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.14Å; F174-T177 WeakPolarHBondContact CA-OG1 3.27Å; F174-T177 PolarHBondContact O-N 3.39Å; F174-T177 PolarHBondContact O-OG1 3.24Å; F174-T177 VanDerWaalsContact O-OG1 3.05Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.48Å
178R86.3Confident88Confident149 Ų149108.1 Ų108.156%0.56256%0.563SS**SBendtrans-61.2127.3174.4-72.9179.572.4171.6-0108.2F174 V175 A180F174-R178 WeakPolarHBondContact O-CG 3.45Å; F174-R178 PolarHBondContact O-N 2.92Å; V175-R178 WeakPolarHBondContact O-CB 3.47Å; V175-R178 PolarHBondContact O-N 3.05Å; R178-A180 PolarHBondContact O-N 3.42Å; R178-A180 VanDerWaalsContact O-N 3.13Å
179P84.3Confident87.6Confident112 Ų112109.9 Ų109.973%0.72757%0.565SS**PPolyproline II helixtrans-56.3127.5173.421.7-29.9000107.8L181P179-L181 PolarHBondContact O-N 3.31Å
180A81.6Confident87.2Confident90 Ų90106.7 Ų106.774%0.74455%0.55SS**PPolyproline II helixtrans-52117173.700000107.2R178 K182R178-A180 PolarHBondContact O-N 3.42Å; R178-A180 VanDerWaalsContact O-N 3.13Å; A180-K182 PolarHBondContact O-N 3.31Å
181L79.9Confident87Confident122 Ų122111.1 Ų111.164%0.63957%0.571SS**  trans-60.7104.3178.9-68.6174.6000106.5P179 R183P179-L181 PolarHBondContact O-N 3.31Å; L181-R183 PolarHBondContact O-N 2.92Å
182K78.7Confident86.9Confident209 Ų209115.4 Ų115.491%0.90958%0.579SS**SBendtrans-54.7-24.4-176.6-75.8-173.6175.7-176.20112.4A180A180-K182 PolarHBondContact O-N 3.31Å
183R79.6Confident86.6Confident222 Ų222110.6 Ų110.684%0.83855%0.55SS*.SBendtrans-140.4104.8171.3-54.7-178.288.6161.44.3106.4L181 R185L181-R183 PolarHBondContact O-N 2.92Å; R183-R185 PolarHBondContact O-N 2.91Å
184P79.2Confident86.2Confident89 Ų89109 Ų10958%0.57854%0.543SS*.  trans-52.9137.516723.2-30.4000107.3W186P184-W186 WeakPolarHBondContact CB-O 3.25Å; P184-W186 PolarHBondContact O-N 2.93Å
185R82.5Confident86Confident192 Ų192110.1 Ų110.173%0.72556%0.558SS**SBendtrans-55.7-27.7-176.4177.1-178.3-178.5-171.87.3111.7R183R183-R185 PolarHBondContact O-N 2.91Å
186W83Confident86Confident68 Ų68109.6 Ų109.626%0.25855%0.549SS..SBendtrans-120136.4-179.6-58.381.9000108.7P184 E190 L194 I215P184-W186 WeakPolarHBondContact CB-O 3.25Å; P184-W186 PolarHBondContact O-N 2.93Å; W186-E190 VanDerWaalsContact CA-OE2 3.24Å; W186-E190 WeakPolarHBondContact CA-OE2 3.41Å; W186-E190 HydrophobicContact CB-CB 4.37Å; W186-E190 HydrophobicContact CE3-CB 3.59Å; W186-E190 HydrophobicContact CZ3-CB 4.3Å; W186-L194 HydrophobicContact CH2-CD1 4.27Å; W186-L194 HydrophobicContact CZ3-CD1 4.41Å; W186-I215 HydrophobicContact CH2-CD1 3.7Å; W186-I215 HydrophobicContact CZ3-CD1 3.46Å; W186-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W186-I215 HydrophobicContact CZ3-CG2 4.33Å
187G86.9Confident85.6Confident35 Ų35107.7 Ų107.736%0.36153%0.526SS..  trans-68.6162.7163.900000111E189 E190 E191G187-E189 PolarHBondContact O-N 3.33Å; G187-E190 PolarHBondContact N-OE2 3.37Å; G187-E190 PolarHBondContact O-N 3.32Å; G187-E190 VanDerWaalsContact O-N 3.14Å; G187-E191 PolarHBondContact O-N 3.1Å
188K89.5Confident85.5Confident188 Ų188108.9 Ų108.982%0.81753%0.526SS*.Hα-helixtrans-57.1-35.4176.3-71-173.9178.4-176.60112.6E191 Y192K188-E191 PolarHBondContact O-N 3.1Å; K188-Y192 PolarHBondContact O-N 3.14Å
189E89Confident85.6Confident121 Ų121104.2 Ų104.257%0.56552%0.519SS*.Hα-helixtrans-64.8-47176.2-178.6-178.4-175.800111.6G187 E191 Y192 L193G187-E189 PolarHBondContact O-N 3.33Å; E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.15Å; E189-Y192 WeakPolarHBondContact O-CB 3.38Å; E189-Y192 PolarHBondContact O-N 3.5Å; E189-L193 HydrophobicContact CG-CD1 4.47Å; E189-L193 WeakPolarHBondContact O-CG 3.16Å; E189-L193 PolarHBondContact O-N 2.84Å
190E88Confident85.6Confident61 Ų61102.4 Ų102.429%0.28550%0.503SS..Hα-helixtrans-67.8-31.5179-49.9175.3114.600111.5W186 G187 L194 L219W186-E190 VanDerWaalsContact CA-OE2 3.24Å; W186-E190 WeakPolarHBondContact CA-OE2 3.41Å; W186-E190 HydrophobicContact CB-CB 4.37Å; W186-E190 HydrophobicContact CE3-CB 3.59Å; W186-E190 HydrophobicContact CZ3-CB 4.3Å; G187-E190 PolarHBondContact N-OE2 3.37Å; G187-E190 PolarHBondContact O-N 3.32Å; G187-E190 VanDerWaalsContact O-N 3.14Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.45Å; E190-L194 PolarHBondContact O-N 3.4Å; E190-L219 HydrophobicContact CG-CD1 4.38Å
191E90.2Very high85.6Confident126 Ų12699.4 Ų99.459%0.58948%0.479SS*.Hα-helixtrans-66-41.4171.9-171.9171.5-156.300111.7G187 K188 E189 L194 A195G187-E191 PolarHBondContact O-N 3.1Å; K188-E191 PolarHBondContact O-N 3.1Å; E189-E191 VanDerWaalsContact C-N 3.27Å; E189-E191 PolarHBondContact O-N 3.15Å; E191-L194 PolarHBondContact O-N 3.19Å; E191-A195 PolarHBondContact O-N 3.5Å
192Y93.2Very high85.7Confident161 Ų161100.7 Ų100.763%0.63149%0.485SS*.Hα-helixtrans-63.4-44.7173.3179.9-97000112.1K188 E189 L194 A195 Q196K188-Y192 PolarHBondContact O-N 3.14Å; E189-Y192 WeakPolarHBondContact O-CB 3.38Å; E189-Y192 PolarHBondContact O-N 3.5Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 2.94Å; Y192-A195 PolarHBondContact O-N 2.85Å; Y192-Q196 WeakPolarHBondContact O-CB 3.28Å; Y192-Q196 PolarHBondContact O-N 3.33Å
193L89.3Confident86Confident10 Ų1095.5 Ų95.55%0.05248%0.476CS..Hα-helixtrans-63.2-40.1176.1-69.9173.8000111.9E189 A195 Q196 E197 A218 L219E189-L193 HydrophobicContact CG-CD1 4.47Å; E189-L193 WeakPolarHBondContact O-CG 3.16Å; E189-L193 PolarHBondContact O-N 2.84Å; L193-A195 VanDerWaalsContact C-N 3.35Å; L193-Q196 PolarHBondContact O-N 2.91Å; L193-E197 WeakPolarHBondContact O-CB 3.22Å; L193-E197 WeakPolarHBondContact O-CG 3.5Å; L193-E197 PolarHBondContact O-N 3.25Å; L193-A218 HydrophobicContact CD1-CB 4.48Å; L193-A218 HydrophobicContact CD2-CB 4.39Å; L193-L219 HydrophobicContact CD1-CD2 3.56Å; L193-L219 HydrophobicContact CD1-CG 3.92Å
194L85.8Confident86Confident42 Ų4288.6 Ų88.622%0.2246%0.458CS..Hα-helixtrans-61.5-44.7175.2-167.575.6000110.9W186 E190 E191 Y192 E197 E198 I211 I215W186-L194 HydrophobicContact CH2-CD1 4.27Å; W186-L194 HydrophobicContact CZ3-CD1 4.41Å; E190-L194 VanDerWaalsContact O-CB 3.31Å; E190-L194 WeakPolarHBondContact O-CB 3.45Å; E190-L194 PolarHBondContact O-N 3.4Å; E191-L194 PolarHBondContact O-N 3.19Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 2.94Å; L194-E197 PolarHBondContact O-N 2.97Å; L194-E198 WeakPolarHBondContact O-CG 3.15Å; L194-E198 PolarHBondContact O-N 3.23Å; L194-I211 HydrophobicContact CD1-CG2 3.38Å; L194-I215 HydrophobicContact CB-CD1 4.26Å; L194-I215 HydrophobicContact CD1-CD1 3.27Å; L194-I215 HydrophobicContact CD1-CG1 4.45Å; L194-I215 HydrophobicContact CG-CD1 4.38Å
195A90.3Very high85.8Confident53 Ų5391.9 Ų91.944%0.43847%0.471SS..Hα-helixtrans-64.9-37.7176.700000112.5E191 Y192 L193 E198 A199E191-A195 PolarHBondContact O-N 3.5Å; Y192-A195 PolarHBondContact O-N 2.85Å; L193-A195 VanDerWaalsContact C-N 3.35Å; A195-E198 PolarHBondContact O-N 3.3Å; A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 2.99Å
196Q90.3Very high85.3Confident85 Ų8588.8 Ų88.840%0.39747%0.469SS..Hα-helixtrans-65.3-44.3175.3-173.3177.512.800111.6Y192 L193 A199 N200Y192-Q196 WeakPolarHBondContact O-CB 3.28Å; Y192-Q196 PolarHBondContact O-N 3.33Å; L193-Q196 PolarHBondContact O-N 2.91Å; Q196-A199 PolarHBondContact O-N 3.4Å; Q196-N200 WeakPolarHBondContact O-CB 3.35Å; Q196-N200 PolarHBondContact O-N 3.26Å; Q196-N200 PolarHBondContact O-ND2 3.12Å; Q196-N200 PolarHBondContact O-OD1 3.13Å
197E84.1Confident84.6Confident45 Ų4590.6 Ų90.621%0.2149%0.489CS..Hα-helixtrans-64.2-39.6175.5-75.2-66.5137.100111.9L193 L194 N200 A201 A214L193-E197 WeakPolarHBondContact O-CB 3.22Å; L193-E197 WeakPolarHBondContact O-CG 3.5Å; L193-E197 PolarHBondContact O-N 3.25Å; L194-E197 PolarHBondContact O-N 2.97Å; E197-N200 PolarHBondContact O-N 2.92Å; E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.38Å; E197-A214 HydrophobicContact CG-CB 4.43Å; E197-A214 WeakPolarHBondContact OE2-CB 3.47Å
198E83.7Confident83.4Confident107 Ų10791.1 Ų91.150%0.549%0.486SS..Hα-helixtrans-61.9-43.1173-76.1179.717800111.6L194 A195 A201 L202L194-E198 WeakPolarHBondContact O-CG 3.15Å; L194-E198 PolarHBondContact O-N 3.23Å; A195-E198 PolarHBondContact O-N 3.3Å; E198-A201 PolarHBondContact O-N 3.19Å; E198-L202 WeakPolarHBondContact O-CG 3.21Å; E198-L202 PolarHBondContact O-N 2.97Å
199A87.9Confident82.5Confident51 Ų5189.6 Ų89.642%0.42149%0.493SS..Hα-helixtrans-62.2-44.7174.700000112A195 Q196 A201 L202 S203A195-A199 WeakPolarHBondContact O-CB 3.31Å; A195-A199 PolarHBondContact O-N 2.99Å; Q196-A199 PolarHBondContact O-N 3.4Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 3.48Å; A199-L202 PolarHBondContact O-N 3.32Å; A199-S203 PolarHBondContact O-N 2.84Å; A199-S203 VanDerWaalsContact O-N 3.1Å; A199-S203 PolarHBondContact O-OG 3.11Å
200N85.8Confident82.1Confident74 Ų7487.6 Ų87.640%0.39649%0.486SS..Hα-helixtrans-63.7-38.4177.2-68.7-16.7000112.2Q196 E197 L202 S203 T204Q196-N200 WeakPolarHBondContact O-CB 3.35Å; Q196-N200 PolarHBondContact O-N 3.26Å; Q196-N200 PolarHBondContact O-ND2 3.12Å; Q196-N200 PolarHBondContact O-OD1 3.13Å; E197-N200 PolarHBondContact O-N 2.92Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.91Å; N200-S203 PolarHBondContact O-N 3.41Å; N200-T204 PolarHBondContact O-N 3.27Å; N200-T204 PolarHBondContact O-OG1 3.25Å
201A81.1Confident81.6Confident27 Ų2787.9 Ų87.922%0.22349%0.489CS..Hα-helixtrans-69.8-23.8176.600000113.4E197 E198 A199 P208E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.38Å; E198-A201 PolarHBondContact O-N 3.19Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-A201 PolarHBondContact O-N 3.48Å; A201-P208 HydrophobicContact CB-CG 3.91Å
202L82Confident81Confident148 Ų14887.2 Ų87.278%0.77548%0.484SS*.Hα-helixtrans-80.6-31.9171-69.1172.7000111.7E198 A199 N200E198-L202 WeakPolarHBondContact O-CG 3.21Å; E198-L202 PolarHBondContact O-N 2.97Å; A199-L202 PolarHBondContact O-N 3.32Å; N200-L202 VanDerWaalsContact C-N 3.3Å; N200-L202 PolarHBondContact O-N 2.91Å
203S84.6Confident80.4Confident101 Ų10182.4 Ų82.471%0.70647%0.471SS*.Hα-helixtrans-75.6-37.2177.2-60.30000113.1A199 N200A199-S203 PolarHBondContact O-N 2.84Å; A199-S203 VanDerWaalsContact O-N 3.1Å; A199-S203 PolarHBondContact O-OG 3.11Å; N200-S203 PolarHBondContact O-N 3.41Å
204T79.2Confident79.9Confident76 Ų7682.7 Ų82.747%0.46648%0.475SS..SBendtrans-93.4120.3174.358.90000107.4N200 N206N200-T204 PolarHBondContact O-N 3.27Å; N200-T204 PolarHBondContact O-OG1 3.25Å; T204-N206 PolarHBondContact O-N 3.47Å
205N74.9Confident79.5Confident158 Ų15881 Ų8185%0.84547%0.466SS*.SBendtrans-63.218.6177-72.7-59.3000114
206N71.7Confident79.1Confident128 Ų12886.4 Ų86.468%0.68448%0.475SS*.SBendtrans-118.6100.1178-71.1-52.4000108.7T204T204-N206 PolarHBondContact O-N 3.47Å
207P68.2Low78.8Confident105 Ų10588.4 Ų88.468%0.68249%0.485SS*.  trans-61.6129175.524.9-32.4000109.2T209P207-T209 PolarHBondContact O-N 3.29Å; P207-T209 VanDerWaalsContact O-N 3.13Å
208P62.7Low78.5Confident47 Ų4787.2 Ų87.231%0.30548%0.482SS..  trans-61.4121.9178.222.6-30.4000108.7A201 N210 I211A201-P208 HydrophobicContact CB-CG 3.91Å; P208-N210 PolarHBondContact O-N 3.28Å; P208-I211 HydrophobicContact CG-CG1 4.09Å
209T70.8Confident78.3Confident155 Ų15584.9 Ų84.995%0.95147%0.473SS*.THydrogen-bonded Turntrans-62.6-13.4-177.836.90000112.9P207P207-T209 PolarHBondContact O-N 3.29Å; P207-T209 VanDerWaalsContact O-N 3.13Å
210N79.7Confident78.2Confident79 Ų7992.5 Ų92.542%0.42249%0.491SS..THydrogen-bonded Turntrans-155.785.5177.8-166.8-16.4000113.1P208 K212 T213 A214P208-N210 PolarHBondContact O-N 3.28Å; N210-K212 PolarHBondContact O-N 3Å; N210-K212 VanDerWaalsContact O-N 3.15Å; N210-K212 PolarHBondContact OD1-N 3.29Å; N210-T213 HydrophobicContact CB-CG2 4.44Å; N210-T213 WeakPolarHBondContact CB-OG1 3.39Å; N210-T213 WeakPolarHBondContact ND2-CG2 3.49Å; N210-T213 PolarHBondContact O-N 3.28Å; N210-T213 PolarHBondContact O-OG1 3.01Å; N210-T213 PolarHBondContact OD1-N 3.06Å; N210-A214 PolarHBondContact O-N 2.87Å
211I79Confident78.1Confident67 Ų6793.7 Ų93.734%0.34451%0.505SS..Hα-helixtrans-50.8-38.3176.1-65.5168.3000112.3L194 P208 T213 A214 I215L194-I211 HydrophobicContact CD1-CG2 3.38Å; P208-I211 HydrophobicContact CG-CG1 4.09Å; I211-T213 PolarHBondContact O-N 3.37Å; I211-A214 PolarHBondContact O-N 3.32Å; I211-I215 HydrophobicContact CG2-CD1 3.89Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.45Å
212K76.5Confident77.6Confident113 Ų11396.7 Ų96.749%0.49152%0.517SS..Hα-helixtrans-66-35.7179.9-75.5-178.7-176.7167.20113N210 R216N210-K212 PolarHBondContact O-N 3Å; N210-K212 VanDerWaalsContact O-N 3.15Å; N210-K212 PolarHBondContact OD1-N 3.29Å; K212-R216 WeakPolarHBondContact O-CG 3.38Å; K212-R216 PolarHBondContact O-N 3.46Å; K212-R216 VanDerWaalsContact O-N 3.17Å
213T81.1Confident76.9Confident59 Ų5991.4 Ų91.436%0.36250%0.499SS..Hα-helixtrans-73.3-36.517745.70000111.3N210 I211 R216 Q217N210-T213 HydrophobicContact CB-CG2 4.44Å; N210-T213 WeakPolarHBondContact CB-OG1 3.39Å; N210-T213 WeakPolarHBondContact ND2-CG2 3.49Å; N210-T213 PolarHBondContact O-N 3.28Å; N210-T213 PolarHBondContact O-OG1 3.01Å; N210-T213 PolarHBondContact OD1-N 3.06Å; I211-T213 PolarHBondContact O-N 3.37Å; T213-R216 PolarHBondContact O-N 3.37Å; T213-Q217 WeakPolarHBondContact O-CB 3.48Å; T213-Q217 WeakPolarHBondContact O-CG 3.42Å; T213-Q217 PolarHBondContact O-N 3.26Å
214A78.9Confident75.7Confident17 Ų1792.9 Ų92.914%0.1451%0.505CS..Hα-helixtrans-59.8-47.9174.700000111.2E197 N210 I211 R216 Q217 A218E197-A214 HydrophobicContact CG-CB 4.43Å; E197-A214 WeakPolarHBondContact OE2-CB 3.47Å; N210-A214 PolarHBondContact O-N 2.87Å; I211-A214 PolarHBondContact O-N 3.32Å; A214-R216 PolarHBondContact O-N 2.95Å; A214-Q217 WeakPolarHBondContact O-CB 3.42Å; A214-Q217 PolarHBondContact O-N 3.15Å; A214-Q217 VanDerWaalsContact O-N 3.1Å; A214-A218 PolarHBondContact O-N 2.88Å
215I77.6Confident74.7Confident6 Ų695.3 Ų95.33%0.03152%0.521CS..Hα-helixtrans-62.1-43.1176.9-63.1165.5000111.9W186 L194 I211 Q217 A218 L219W186-I215 HydrophobicContact CH2-CD1 3.7Å; W186-I215 HydrophobicContact CZ3-CD1 3.46Å; W186-I215 VanDerWaalsContact CZ3-CD1 3.46Å; W186-I215 HydrophobicContact CZ3-CG2 4.33Å; L194-I215 HydrophobicContact CB-CD1 4.26Å; L194-I215 HydrophobicContact CD1-CD1 3.27Å; L194-I215 HydrophobicContact CD1-CG1 4.45Å; L194-I215 HydrophobicContact CG-CD1 4.38Å; I211-I215 HydrophobicContact CG2-CD1 3.89Å; I211-I215 HydrophobicContact CG2-CG1 4.48Å; I211-I215 WeakPolarHBondContact O-CG1 3.25Å; I211-I215 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact C-N 3.25Å; I215-Q217 PolarHBondContact O-N 3.48Å; I215-A218 PolarHBondContact O-N 3.45Å; I215-L219 HydrophobicContact CG2-CD1 3.96Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.47Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.84Å
216R80.8Confident73.7Confident166 Ų16699.1 Ų99.163%0.62652%0.523SS*.Hα-helixtrans-63.8-32.1176.6-76.3178.3-176.5174-0.1112.5K212 T213 A214 R220K212-R216 WeakPolarHBondContact O-CG 3.38Å; K212-R216 PolarHBondContact O-N 3.46Å; K212-R216 VanDerWaalsContact O-N 3.17Å; T213-R216 PolarHBondContact O-N 3.37Å; A214-R216 PolarHBondContact O-N 2.95Å; R216-R220 WeakPolarHBondContact O-CD 3.45Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.38Å; R216-R220 PolarHBondContact O-N 3.28Å
217Q83.7Confident73Confident128 Ų12896.6 Ų96.660%0.59852%0.52SS*.Hα-helixtrans-72-48.3174.3-77.6173.3-20.400110.3T213 A214 I215 L219 R220 S221T213-Q217 WeakPolarHBondContact O-CB 3.48Å; T213-Q217 WeakPolarHBondContact O-CG 3.42Å; T213-Q217 PolarHBondContact O-N 3.26Å; A214-Q217 WeakPolarHBondContact O-CB 3.42Å; A214-Q217 PolarHBondContact O-N 3.15Å; A214-Q217 VanDerWaalsContact O-N 3.1Å; I215-Q217 VanDerWaalsContact C-N 3.25Å; I215-Q217 PolarHBondContact O-N 3.48Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.46Å; Q217-R220 WeakPolarHBondContact O-CB 3.21Å; Q217-R220 PolarHBondContact O-N 3.35Å; Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 2.89Å
218A79.3Confident72.5Confident19 Ų1997.8 Ų97.816%0.15753%0.528CS..Hα-helixtrans-56.1-43.9176.900000112.5L193 A214 I215 R220 S221 N222L193-A218 HydrophobicContact CD1-CB 4.48Å; L193-A218 HydrophobicContact CD2-CB 4.39Å; A214-A218 PolarHBondContact O-N 2.88Å; I215-A218 PolarHBondContact O-N 3.45Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 2.9Å; A218-S221 PolarHBondContact O-N 2.91Å; A218-N222 WeakPolarHBondContact O-CB 3.35Å; A218-N222 PolarHBondContact O-N 2.91Å; A218-N222 PolarHBondContact O-ND2 3.35Å
219L79.3Confident71.9Confident58 Ų5898.7 Ų98.730%0.30455%0.545SS..Hα-helixtrans-66.5-26.7176.3-71.3172.7000113.6E190 L193 I215 Q217E190-L219 HydrophobicContact CG-CD1 4.38Å; L193-L219 HydrophobicContact CD1-CD2 3.56Å; L193-L219 HydrophobicContact CD1-CG 3.92Å; I215-L219 HydrophobicContact CG2-CD1 3.96Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.47Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.84Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.46Å
220R85.5Confident71.2Confident212 Ų21298.7 Ų98.780%0.854%0.54SS*.Hα-helixtrans-77.9-37.4173.6-74.5171.1-179-98.20.3111.4R216 Q217 A218 G223R216-R220 WeakPolarHBondContact O-CD 3.45Å; R216-R220 VanDerWaalsContact O-CG 3.27Å; R216-R220 WeakPolarHBondContact O-CG 3.38Å; R216-R220 PolarHBondContact O-N 3.28Å; Q217-R220 WeakPolarHBondContact O-CB 3.21Å; Q217-R220 PolarHBondContact O-N 3.35Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 2.9Å; R220-G223 PolarHBondContact O-N 3.5Å
221S82.6Confident69.7Low99 Ų99104 Ų10469%0.69256%0.562SS**Hα-helixtrans-70-37.7178.7-49.80000112.1Q217 A218 G223Q217-S221 PolarHBondContact O-N 3.41Å; Q217-S221 PolarHBondContact O-OG 2.89Å; A218-S221 PolarHBondContact O-N 2.91Å; S221-G223 PolarHBondContact O-N 3.46Å
222N72.2Confident68.6Low90 Ų90106.5 Ų106.548%0.48158%0.581SS.*THydrogen-bonded Turntrans-86.423.7176.4-64.6-23.2000112.7A218A218-N222 WeakPolarHBondContact O-CB 3.35Å; A218-N222 PolarHBondContact O-N 2.91Å; A218-N222 PolarHBondContact O-ND2 3.35Å
223G66.5Low67.6Low37 Ų37107.9 Ų107.938%0.38159%0.593SS.*  trans-45.9141.5170.300000109.7R220 S221 T225R220-G223 PolarHBondContact O-N 3.5Å; S221-G223 PolarHBondContact O-N 3.46Å; G223-T225 PolarHBondContact O-N 3.21Å
224P60.2Low66.4Low131 Ų131111 Ų11185%0.85162%0.615SS**  trans-47.9103.7-15620.6-33.9000110.1R226P224-R226 PolarHBondContact O-N 3.48Å
225T57.8Low65.5Low128 Ų128114.5 Ų114.579%0.78564%0.644SS**  trans-61.894.9169.5-40.60000104.4G223 A227G223-T225 PolarHBondContact O-N 3.21Å; T225-A227 PolarHBondContact O-N 2.69Å
226R54.5Low64.6Low237 Ų237119.8 Ų119.889%0.89468%0.678SS**  trans-54.2105.2-179.8-167.4178.8-176.2-170.60.6104.8P224P224-R226 PolarHBondContact O-N 3.48Å
227A55.8Low63.4Low76 Ų76117.3 Ų117.363%0.62869%0.686SS**PPolyproline II helixtrans-49.9131.8176.100000107.3T225 G229T225-A227 PolarHBondContact O-N 2.69Å; A227-G229 PolarHBondContact O-N 3.38Å; A227-G229 VanDerWaalsContact O-N 3.12Å
228P57.7Low62.4Low130 Ų130116 Ų11684%0.84469%0.691SS**PPolyproline II helixtrans-53.1124.2-178.419.2-29.9000108.8N230P228-N230 PolarHBondContact O-N 3.26Å
229G50.8Low61.5Low65 Ų65122.1 Ų122.167%0.6772%0.721SS**PPolyproline II helixtrans-55.6125.2-165.500000112.9A227 Q231A227-G229 PolarHBondContact O-N 3.38Å; A227-G229 VanDerWaalsContact O-N 3.12Å; G229-Q231 PolarHBondContact O-N 3.36Å
230N55Low60.7Low156 Ų156130 Ų13083%0.83475%0.747SS**  trans-69.2105.2143.9-114.3-0.7000105.8P228 T232P228-N230 PolarHBondContact O-N 3.26Å; N230-T232 PolarHBondContact O-N 3.26Å
231Q48.9Very low59.8Low189 Ų189126.6 Ų126.688%0.88375%0.745SS**  trans-59.6104.4164.7-66.9175.84600106.2G229G229-Q231 PolarHBondContact O-N 3.36Å
232T56.6Low59.1Low121 Ų121130.8 Ų130.874%0.74275%0.753SS**  trans-118121.2165.2-46.80000105.5N230N230-T232 PolarHBondContact O-N 3.26Å
233D54.3Low58.9Low141 Ų141137.2 Ų137.275%0.75477%0.771SS**  trans-51150.4-166.8-64.5-72.1000114.5A235D233-A235 PolarHBondContact O-N 3.43Å
234P57.1Low59.2Low126 Ų126141 Ų14182%0.81879%0.789SS**  trans-65.9103.3-17827.3-34.4000111
235A60.4Low59.9Low90 Ų90144.3 Ų144.374%0.74479%0.79SS**  trans-69.9142.2164.800000110.1D233D233-A235 PolarHBondContact O-N 3.43Å
236P57.2Low60.9Low117 Ų117143.4 Ų143.476%0.7679%0.787SS**  trans-70.1141.9-161.225.9-34.3000113.8S238P236-S238 PolarHBondContact O-N 2.98Å
237S56.9Low62Low113 Ų113137.6 Ų137.679%0.7978%0.78SS**  trans-40.4102.7165.850.60000112
238S62Low62.9Low101 Ų101139.5 Ų139.571%0.70679%0.785SS**  trans-88106.2157.541.10000107.1P236 R240P236-S238 PolarHBondContact O-N 2.98Å; S238-R240 PolarHBondContact O-N 3.24Å
239D59.3Low63.8Low147 Ų147139.5 Ų139.579%0.78679%0.785SS**  trans-35.899.2160.4-85-71.1000110.3D241D239-D241 PolarHBondContact O-N 3.26Å
240R64.2Low64.6Low223 Ų223139.2 Ų139.284%0.84278%0.782SS**  trans-92.189.4163.8-81.6-168173.6-172.2-0.4107.1S238 H242S238-R240 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-ND1 3.1Å
241D65.6Low65.6Low141 Ų141138 Ų13875%0.75478%0.783SS**  trans-19.1106.5158.5-79.2-65.1000111.7D239 R243D239-D241 PolarHBondContact O-N 3.26Å; D241-R243 PolarHBondContact O-N 2.92Å
242H67.7Low66.5Low187 Ų187133.5 Ų133.587%0.86678%0.778SS**  trans-6678.7164.4-735.3000108.2R240 P244R240-H242 PolarHBondContact O-N 3.24Å; R240-H242 PolarHBondContact O-ND1 3.1Å; H242-P244 WeakPolarHBondContact O-CD 3.49Å
243R68.5Low66.8Low225 Ų225139.2 Ų139.285%0.84979%0.786SS**PPolyproline II helixtrans-65.6116.4163-80.9-169.8173.5-143.9-1.1107.4D241 F245D241-R243 PolarHBondContact O-N 2.92Å; R243-F245 PolarHBondContact O-N 3.14Å
244P73.3Confident67.3Low118 Ų118144 Ų14477%0.76679%0.794SS**PPolyproline II helixtrans-58.9133.4174.8-15.628.6000108.5H242H242-P244 WeakPolarHBondContact O-CD 3.49Å
245F74.8Confident67.7Low199 Ų199143.2 Ų143.287%0.87379%0.791SS**PPolyproline II helixtrans-54.3128171.3-86.3-93.1000108.9R243R243-F245 PolarHBondContact O-N 3.14Å
246P77.7Confident67.3Low110 Ų110142.5 Ų142.571%0.71479%0.792SS**PPolyproline II helixtrans-60.6138.6174.224.7-32.2000109.2
247P77.5Confident67.6Low115 Ų115142.3 Ų142.375%0.74779%0.794SS**PPolyproline II helixtrans-60.8147.5178.725.5-33.6000110.4
248P75.1Confident68Low115 Ų115142.8 Ų142.875%0.74780%0.795SS**PPolyproline II helixtrans-59.9142.9179.925.1-33.5000110.6G250P248-G250 PolarHBondContact O-N 3.23Å; P248-G250 VanDerWaalsContact O-N 3.13Å
249P76.2Confident68.1Low130 Ų130143.4 Ų143.484%0.84480%0.799SS**PPolyproline II helixtrans-58.4121.2177.724-32.7000109.4
250G68.8Low68.5Low59 Ų59142.1 Ų142.161%0.60880%0.799SS**PPolyproline II helixtrans-59.4155176.600000111.6P248 A252P248-G250 PolarHBondContact O-N 3.23Å; P248-G250 VanDerWaalsContact O-N 3.13Å; G250-A252 PolarHBondContact O-N 2.93Å
251P74.9Confident68.6Low132 Ų132139.3 Ų139.386%0.85780%0.795SS**  trans-58.8114.2179.924.8-33.2000109.5R253P251-R253 PolarHBondContact O-N 3.11Å
252A67.7Low68.5Low94 Ų94141.9 Ų141.978%0.77780%0.802SS**  trans-54.1112.9175.100000109G250 R254G250-A252 PolarHBondContact O-N 2.93Å; A252-R254 PolarHBondContact O-N 3.37Å
253R63Low68.5Low240 Ų240140.9 Ų140.991%0.90680%0.798SS**  trans-55.3110.3167.9-85.8178.8171.5-103.81.6106.8P251 S255P251-R253 PolarHBondContact O-N 3.11Å; R253-S255 VanDerWaalsContact C-N 3.3Å; R253-S255 PolarHBondContact O-N 3.3Å
254R65.4Low68.1Low242 Ų242137 Ų13791%0.91379%0.794SS**  trans-63.697.6166.4-76.9179.1-178.8-114.3-0.1106.9A252 G256A252-R254 PolarHBondContact O-N 3.37Å; R254-G256 PolarHBondContact O-N 3.04Å
255S65Low67.8Low109 Ų109137 Ų13776%0.76279%0.794SS**PPolyproline II helixtrans-56126.1161.127.70000107.8R253 S257R253-S255 VanDerWaalsContact C-N 3.3Å; R253-S255 PolarHBondContact O-N 3.3Å; S255-S257 PolarHBondContact O-N 2.93Å
256G53.6Low66.8Low75 Ų75134.4 Ų134.477%0.77378%0.784SS**PPolyproline II helixtrans-51124.4-173.900000111.8R254R254-G256 PolarHBondContact O-N 3.04Å
257S63.4Low65.8Low114 Ų114136.6 Ų136.680%0.79779%0.785SS**PPolyproline II helixtrans-81.5126.9160.5-56.60000107.5S255S255-S257 PolarHBondContact O-N 2.93Å
258P64Low64.8Low123 Ų123137.1 Ų137.180%0.79979%0.791SS**PPolyproline II helixtrans-64.9135.3-177.224.3-32000111.3
259S64.9Low63.9Low114 Ų114135.7 Ų135.780%0.79779%0.789SS**PPolyproline II helixtrans-54.5127.8177.5-63.80000111.5Q261S259-Q261 PolarHBondContact O-N 2.81Å
260P66.9Low63Low120 Ų120135.8 Ų135.878%0.77979%0.787SS**PPolyproline II helixtrans-69.2125.3173.425.1-29.6000110.2Q262P260-Q262 PolarHBondContact O-N 3.28Å
261Q65.8Low62.8Low164 Ų164140 Ų14077%0.76680%0.795SS**PPolyproline II helixtrans-53.5120.2172-79.2171.8-35.900110.1S259 H263S259-Q261 PolarHBondContact O-N 2.81Å; Q261-H263 PolarHBondContact O-N 2.91Å; Q261-H263 VanDerWaalsContact O-N 3.17Å
262Q65.2Low62.2Low195 Ų195141.2 Ų141.291%0.91179%0.793SS**  trans-72.3101.8169.5-71.5-176.7-34.200108.6P260 N264P260-Q262 PolarHBondContact O-N 3.28Å; Q262-N264 PolarHBondContact O-N 3.09Å
263H67.1Low62.3Low165 Ų165142 Ų14276%0.76479%0.79SS**  trans-76120.1162.5-70.6-82.5000108.4Q261 P265Q261-H263 PolarHBondContact O-N 2.91Å; Q261-H263 VanDerWaalsContact O-N 3.17Å; H263-P265 VanDerWaalsContact O-CD 3.24Å; H263-P265 WeakPolarHBondContact O-CD 3.47Å
264N60.4Low62.2Low145 Ų145140.6 Ų140.678%0.77579%0.791SS**  trans-94.3103.3-179.8-164.6-2.3000108.1Q262 H266Q262-N264 PolarHBondContact O-N 3.09Å; N264-H266 PolarHBondContact O-N 3.36Å; N264-H266 VanDerWaalsContact O-N 3.16Å
265P66.2Low62.3Low117 Ų117133.9 Ų133.976%0.7679%0.787SS**  trans-75.7106.7174.229-30.9000109.4H263H263-P265 VanDerWaalsContact O-CD 3.24Å; H263-P265 WeakPolarHBondContact O-CD 3.47Å
266H54.3Low62.5Low145 Ų145132.2 Ų132.267%0.67179%0.787SS**  trans-45.4131.4162.6-107.2-112.6000112N264N264-H266 PolarHBondContact O-N 3.36Å; N264-H266 VanDerWaalsContact O-N 3.16Å
267Q56Low63.2Low155 Ų155135.8 Ų135.872%0.72479%0.787SS**  45.4116.2126.8-55.9179.97.700118.2
268S56.3Low63.5Low127 Ų127140.4 Ų140.489%0.88879%0.793SS**  trans163139.3144.6-75.90000107.7
269A57.1Low64Low85 Ų85143.4 Ų143.470%0.70282%0.817SS**  cis-158144.33.900000107.8I271A269-I271 PolarHBondContact O-N 2.83Å
270T57.3Low63.9Low131 Ų131144.9 Ų144.980%0.80482%0.818SS**  trans-67.3119.6168.3-51.60000109.1
271I64.5Low63.8Low149 Ų149146.2 Ų146.276%0.76482%0.82SS**  trans-126.9104.4165.8-57.8179.4000108.5A269A269-I271 PolarHBondContact O-N 2.83Å
272L62.1Low63.7Low157 Ų157145.2 Ų145.282%0.82282%0.823SS**  trans-89.7129.1163.7-88.5149.8000108.7
273P70.1Confident63.6Low110 Ų110142.3 Ų142.371%0.71482%0.818SS**  trans-123.2105.715128.7-14000109.3
274K61Low63.4Low210 Ų210140.9 Ų140.991%0.91382%0.821SS**  76107.995.2-112.7179.4-178.8179.10113.8
275A67.6Low63.6Low101 Ų101140.6 Ų140.684%0.83582%0.824SS**  trans-57.2128.8170.800000111.5
276G68.3Low63.4Low74 Ų74142.3 Ų142.376%0.76383%0.829SS**  trans-100.7108.4169.100000109.4
277I68.5Low64.1Low150 Ų150142.1 Ų142.177%0.76984%0.841SS**  trans-71.1130.4164-65.2160.7000107.1
278F69.7Low64.7Low211 Ų211141 Ų14193%0.92585%0.851SS**  trans-131.8126.3155.7-96.9-85.2000108.6
279S74.5Confident65.5Low187 Ų187142.3 Ų142.3100%1.30885%0.847SS**  trans-60.70-174.6-500000114.6

Retrieved 279 of 279 residues in 77.2 ms (Link to these results)