A0A1U7R6L7_MESAU Loading...

Dickkopf-related protein 2

AlphaFold DB , UniProt , Accession A0A1U7R6L7, Species MESAU (Mesocricetus auratus, Golden hamster), Gene Dkk2, Length 259 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34Very low47.8Very low254 Ų254137.8 Ų137.8100%1.25177%0.774SS**  0122.10-61.9163.7-175.600106.2
2A38.3Very low48.5Very low105 Ų105139.3 Ų139.387%0.86876%0.758SS**  cis-148.7163.3800000108.2
3A39.6Very low49.2Very low95 Ų95134.3 Ų134.379%0.78574%0.739SS**  trans-77157.9-166.400000114.4
4L48.1Very low50Low156 Ų156133.2 Ų133.282%0.81773%0.731SS**  trans-23.7131.2143.1-72.7144.9000112.8
5M46Very low50.7Low172 Ų172132.1 Ų132.185%0.84772%0.723SS**  trans17087.7137.4-83-35.4154.200108.4
6R53.4Low51.3Low261 Ų261131.3 Ų131.399%0.98572%0.716SS**  trans-137.483.5169.4-139.6-177.7-175.5-149.72108.2
7G50.7Low51.8Low66 Ų66130.2 Ų130.268%0.6871%0.709SS**SBendtrans-179.5-14.2-176.600000115.5
8K50.8Low52.2Low150 Ų150125.9 Ų125.965%0.65269%0.694SS**SBendtrans-102.1-12.2-177.7-153.8130.489.4168.50114.9R12K8-R12 WeakPolarHBondContact O-CD 3.49Å; K8-R12 VanDerWaalsContact O-CG 3.32Å; K8-R12 WeakPolarHBondContact O-CG 3.4Å
9D52.9Low52.5Low102 Ų102122.2 Ų122.255%0.54568%0.681SS.*Hα-helixtrans-92.6-28.5-173.9-58.4-47000114.1R12 C13D9-R12 PolarHBondContact O-N 2.79Å; D9-C13 PolarHBondContact O-N 3.31Å; D9-C13 PolarHBondContact O-SG 3.31Å; D9-C13 VanDerWaalsContact O-SG 3.33Å
10S54.5Low52.7Low87 Ų87121 Ų12161%0.60868%0.677SS**Hα-helixtrans-71.2-38.4177.2-1740000111.8C13 L14S10-C13 PolarHBondContact O-N 3.07Å; S10-L14 PolarHBondContact O-N 2.99Å; S10-L14 VanDerWaalsContact O-N 3.11Å
11S57.3Low52.8Low68 Ų68120.7 Ų120.748%0.47667%0.673SS.*Hα-helixtrans-67.4-36.5174.5-176.30000112.1L14 L15S11-L14 PolarHBondContact O-N 3.31Å; S11-L15 WeakPolarHBondContact O-CB 3.17Å; S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 2.86Å
12R57Low53.6Low155 Ų155115.1 Ų115.159%0.58565%0.646SS**Hα-helixtrans-68.9-38.2174.4-77.7178.2156.8-166.3-8.4112.8K8 D9 L15 L16K8-R12 WeakPolarHBondContact O-CD 3.49Å; K8-R12 VanDerWaalsContact O-CG 3.32Å; K8-R12 WeakPolarHBondContact O-CG 3.4Å; D9-R12 PolarHBondContact O-N 2.79Å; R12-L15 PolarHBondContact O-N 3.06Å; R12-L16 WeakPolarHBondContact O-CB 3.39Å; R12-L16 VanDerWaalsContact O-CG 3.25Å; R12-L16 WeakPolarHBondContact O-CG 3.07Å; R12-L16 PolarHBondContact O-N 2.96Å
13C57.3Low54Low75 Ų75115.8 Ų115.851%0.50764%0.639SS.*Hα-helixtrans-65-39.5174.2-73.70000112.5D9 S10 L16 L17D9-C13 PolarHBondContact O-N 3.31Å; D9-C13 PolarHBondContact O-SG 3.31Å; D9-C13 VanDerWaalsContact O-SG 3.33Å; S10-C13 PolarHBondContact O-N 3.07Å; C13-L16 PolarHBondContact O-N 3.13Å; C13-L17 WeakPolarHBondContact O-CB 3.03Å; C13-L17 WeakPolarHBondContact O-CG 3.38Å; C13-L17 PolarHBondContact O-N 3.02Å
14L60.7Low54.2Low119 Ų119119 Ų11962%0.62364%0.638SS**Hα-helixtrans-67.7-39.1176.4-81.5158.6000112.4S10 S11 L17 A18S10-L14 PolarHBondContact O-N 2.99Å; S10-L14 VanDerWaalsContact O-N 3.11Å; S11-L14 PolarHBondContact O-N 3.31Å; L14-L17 PolarHBondContact O-N 2.75Å; L14-A18 PolarHBondContact O-N 3.15Å
15L60.6Low54.2Low117 Ų117116.2 Ų116.261%0.61363%0.631SS**Hα-helixtrans-69.2-35.5175.9-73.8166.8000112.6S11 R12 A18 A19S11-L15 WeakPolarHBondContact O-CB 3.17Å; S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 2.86Å; R12-L15 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-A19 PolarHBondContact O-N 2.84Å
16L59.6Low54.3Low118 Ų118112.4 Ų112.462%0.61862%0.622SS**Hα-helixtrans-69.8-38.5174.7-71.7169.7000112.1R12 C13 A19 V20R12-L16 WeakPolarHBondContact O-CB 3.39Å; R12-L16 VanDerWaalsContact O-CG 3.25Å; R12-L16 WeakPolarHBondContact O-CG 3.07Å; R12-L16 PolarHBondContact O-N 2.96Å; C13-L16 PolarHBondContact O-N 3.13Å; L16-A19 PolarHBondContact O-N 3.09Å; L16-V20 WeakPolarHBondContact O-CG2 3.34Å; L16-V20 PolarHBondContact O-N 3.38Å; L16-V20 VanDerWaalsContact O-N 3.09Å
17L59.1Low54.2Low114 Ų114108.6 Ų108.660%0.59762%0.615SS**Hα-helixtrans-65.1-38173.9-77.9164.2000112.3C13 L14 V20 L21C13-L17 WeakPolarHBondContact O-CB 3.03Å; C13-L17 WeakPolarHBondContact O-CG 3.38Å; C13-L17 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 2.75Å; L17-V20 PolarHBondContact O-N 2.85Å; L17-L21 WeakPolarHBondContact O-CG 3.05Å; L17-L21 PolarHBondContact O-N 3.26Å
18A59.1Low53.7Low52 Ų52114 Ų11443%0.4363%0.627SS.*Hα-helixtrans-67.1-36174.300000112.5L14 L15 M22L14-A18 PolarHBondContact O-N 3.15Å; L15-A18 PolarHBondContact O-N 2.81Å; A18-M22 VanDerWaalsContact O-CG 3.28Å; A18-M22 WeakPolarHBondContact O-CG 3.45Å; A18-M22 PolarHBondContact O-N 2.04Å
19A57.8Low53.5Low55 Ų55110.4 Ų110.446%0.45563%0.633SS.*Hα-helixtrans-69-36.1176.600000112.8L15 L16 M22 V23L15-A19 PolarHBondContact O-N 2.84Å; L16-A19 PolarHBondContact O-N 3.09Å; A19-M22 PolarHBondContact O-N 3Å; A19-V23 WeakPolarHBondContact O-CG2 3.3Å; A19-V23 PolarHBondContact O-N 2.93Å
20V58Low52.6Low98 Ų98110.8 Ų110.859%0.59464%0.644SS**Hα-helixtrans-68.2-37.6176.8173.30000111.6L16 L17 M22 V23L16-V20 WeakPolarHBondContact O-CG2 3.34Å; L16-V20 PolarHBondContact O-N 3.38Å; L16-V20 VanDerWaalsContact O-N 3.09Å; L17-V20 PolarHBondContact O-N 2.85Å; V20-M22 PolarHBondContact O-N 2.03Å; V20-V23 PolarHBondContact O-N 2.88Å
21L53.9Low52.1Low116 Ų116112.4 Ų112.461%0.60766%0.655SS**Hα-helixtrans-72.4-25.6178-69171.9000113.8L17 S25L17-L21 WeakPolarHBondContact O-CG 3.05Å; L17-L21 PolarHBondContact O-N 3.26Å; L21-S25 PolarHBondContact O-OG 2.85Å
22M51Low51.2Low137 Ų137119 Ų11968%0.67567%0.669SS**Hα-helixtrans-80.3-19.7176.4-66.6-68.5-77.700112.9A18 A19 V20 S26A18-M22 VanDerWaalsContact O-CG 3.28Å; A18-M22 WeakPolarHBondContact O-CG 3.45Å; A18-M22 PolarHBondContact O-N 2.04Å; A19-M22 PolarHBondContact O-N 3Å; V20-M22 PolarHBondContact O-N 2.03Å; M22-S26 PolarHBondContact O-OG 3.46Å
23V47.5Very low50.5Low118 Ų118116.1 Ų116.172%0.71568%0.678SS**Hα-helixtrans-78.8-23.2175.3168.40000112.5A19 V20A19-V23 WeakPolarHBondContact O-CG2 3.3Å; A19-V23 PolarHBondContact O-N 2.93Å; V20-V23 PolarHBondContact O-N 2.88Å
24E43.6Very low49.4Very low163 Ų163120.6 Ų120.676%0.76269%0.69SS**THydrogen-bonded Turntrans-83.8-12.7177.4-151172.2159.600113.5
25S46.5Very low48.3Very low97 Ų97122.1 Ų122.168%0.67870%0.697SS**THydrogen-bonded Turntrans-92.62.3-178.5-55.40000114.5L21L21-S25 PolarHBondContact O-OG 2.85Å
26S50.1Low47Very low93 Ų93123.9 Ų123.965%0.6571%0.707SS**SBendtrans-105.33.5-169-55.90000115.4M22M22-S26 PolarHBondContact O-OG 3.46Å
27Q49.6Very low45.8Very low181 Ų181123.2 Ų123.285%0.84671%0.713SS**SBendtrans-13570.3177.1-70.2-165.757.200112.8
28L41.9Very low44.6Very low178 Ų178125.2 Ų125.293%0.93272%0.722SS**  trans-149.742.9144.8-137.475000111.9
29G45Very low43.4Very low75 Ų75132 Ų13277%0.77374%0.742SS**  trans-105.462.4164.200000110.2S31G29-S31 PolarHBondContact O-N 3.46Å
30S34.3Very low42.1Very low111 Ų111134.9 Ų134.978%0.77676%0.759SS**  trans-92.293.1169.4-166.60000109.4R32S30-R32 VanDerWaalsContact C-N 3.32Å; S30-R32 PolarHBondContact O-N 2.99Å
31S44Very low40.9Very low120 Ų120135.2 Ų135.284%0.83977%0.766SS**  trans-5893.1154.727.10000109.4G29G29-S31 PolarHBondContact O-N 3.46Å
32R38.9Very low39.8Very low207 Ų207138.3 Ų138.378%0.78178%0.782SS**  trans-97.888.7160.6-161.1173.3-172.9166.63.8109.3S30 K34S30-R32 VanDerWaalsContact C-N 3.32Å; S30-R32 PolarHBondContact O-N 2.99Å; R32-K34 PolarHBondContact O-N 2.94Å
33A42.4Very low38.7Very low94 Ų94135.7 Ų135.778%0.77779%0.79SS**  trans-53115.6152.500000108.2
34K33.8Very low37.8Very low170 Ų170133.2 Ų133.274%0.73979%0.788SS**  trans-114.393.1159.2-160.7162.5-172.7174.20106.9R32 N36R32-K34 PolarHBondContact O-N 2.94Å; K34-N36 PolarHBondContact O-N 2.62Å
35L38.4Very low37.1Very low151 Ų151134.8 Ų134.879%0.79180%0.795SS**  trans-41.7126.9158.1-82.5149.4000109.3
36N31.7Very low36.5Very low153 Ų153136.5 Ų136.582%0.81880%0.802SS**  trans-142.6104141.5-91.8-25.5000107K34K34-N36 PolarHBondContact O-N 2.62Å
37S34.3Very low36.1Very low105 Ų105137.8 Ų137.873%0.73481%0.808SS**  trans-72.1118.5174.4-171.70000108.8
38I35.8Very low35.1Very low156 Ų156134.2 Ų134.280%0.881%0.81SS**  trans-127.897.4155.5-58.7-180000105.8S40I38-S40 PolarHBondContact O-N 3.44Å
39K34Very low34.6Very low193 Ų193134.9 Ų134.984%0.83981%0.808SS**  trans-61.1112.5175.5-173.1176.7-176-179.70108.9
40S30.1Very low33.8Very low116 Ų116135.9 Ų135.981%0.81181%0.809SS**  trans-97.2111.6165.4-640000107.7I38I38-S40 PolarHBondContact O-N 3.44Å
41S32.3Very low33.8Very low105 Ų105134.8 Ų134.873%0.73481%0.807SS**  trans-79.4134.2177.4480000111.4
42L30.1Very low33.4Very low182 Ų182136 Ų13695%0.95380%0.804SS**  trans-154.3125.8146.8-162.366.2000113.2
43G28.8Very low33.2Very low81 Ų81137.5 Ų137.584%0.83581%0.81SS**  trans97134.7161.600000115
44G29.3Very low32.9Very low66 Ų66138.3 Ų138.368%0.6881%0.81SS**  cis-137.5168.7-21.600000105.1
45E28.6Very low33Very low196 Ų196135.5 Ų135.592%0.91682%0.818SS**  163.6144.682.8-79.4172.8117.600104.9
46T33.1Very low32.7Very low133 Ų133132 Ų13282%0.81682%0.819SS**  trans-65.8-178.8171.938.80000113.1
47P40.8Very low33.3Very low120 Ų120132.4 Ų132.478%0.77982%0.817SS**  cis-129.1154.9-24.834.2-17.3000112.9
48A29.4Very low33.4Very low106 Ų106135.1 Ų135.188%0.87682%0.824SS**  trans-168.1142.4151.800000113
49Q32Very low33.8Very low192 Ų192136.6 Ų136.690%0.89783%0.827SS**  trans-73.6154.9-174.3-59.7164.1-52.100113.5
50A28.3Very low33.7Very low96 Ų96131 Ų13179%0.79383%0.825SS**  147.5127.7115.800000115.1
51A33.9Very low34Very low89 Ų89133.8 Ų133.874%0.73683%0.83SS**  trans75.7110.7135.400000122.2
52N34.5Very low34.1Very low145 Ų145132.8 Ų132.878%0.77583%0.828SS**  59121.1122.4-84.5-17.7000120.3
53R35.3Very low34.4Very low239 Ų239134.2 Ų134.290%0.90283%0.827SS**  177.5152.989.1-86.7-161.9171.5154.5-2.1112
54S35.6Very low34.7Very low111 Ų111134.2 Ų134.278%0.77683%0.827SS**  trans-100.3169.1-164.8-37.80000113.7
55A35.8Very low35Very low110 Ų110134.4 Ų134.491%0.90983%0.829SS**  trans88.7132.8145.300000119.9
56G32Very low35.7Very low79 Ų79130.5 Ų130.581%0.81482%0.823SS**  trans169.660.4171.100000113.6
57M45Very low36.3Very low160 Ų160133.4 Ų133.479%0.78883%0.825SS**  trans-65.3140.8164.8-171.387.471.400109.5
58N37.5Very low36.6Very low162 Ų162137.2 Ų137.287%0.86683%0.829SS**  trans-172.6142133.2-89.4-17.2000113.1
59Q42.3Very low37Very low187 Ų187135.5 Ų135.587%0.87482%0.821SS**  trans-83.1157.4-177.3-60.716624.900111.4
60G32.4Very low37.8Very low77 Ų77135 Ų13579%0.79482%0.816SS**  trans17398.216900000115.1
61L37.5Very low38.3Very low173 Ų173135.7 Ų135.791%0.90682%0.815SS**  trans-35.8144.4165.8-55.1155.8000113.1
62A33.4Very low38.9Very low85 Ų85139.9 Ų139.970%0.70282%0.824SS**  -178.2138.265.300000112.9
63F36.6Very low39.3Very low211 Ų211135 Ų13593%0.92581%0.808SS**  trans51117.9140.2-73-92.3000124
64G34.7Very low39.8Very low82 Ų82132.6 Ų132.685%0.84581%0.808SS**  trans-17761158.900000111.2
65G36Very low40.9Very low69 Ų69131.3 Ų131.371%0.71180%0.803SS**  trans-91.1146.5-172.600000115.1
66S44.2Very low42.5Very low114 Ų114135.3 Ų135.380%0.79780%0.796SS**  trans174.9122.5145.7-84.30000109.6
67K45.4Very low45.2Very low195 Ų195135 Ų13585%0.84878%0.78SS**  cis-148111.9-6.6-76178179.4174.70106G69K67-G69 PolarHBondContact O-N 3.08Å
68K46.9Very low47.3Very low199 Ų199127.6 Ų127.687%0.86574%0.744SS**  trans-77.583.5161.7-172.1158.9-176.5170.70106.7K70K68-K70 VanDerWaalsContact C-N 3.33Å; K68-K70 PolarHBondContact O-N 3.46Å
69G37.3Very low49.8Very low70 Ų70124.8 Ų124.872%0.72274%0.737SS**  trans-66.994.8169.200000108.6K67 S71K67-G69 PolarHBondContact O-N 3.08Å; G69-S71 PolarHBondContact O-N 3.08Å
70K49.6Very low52Low182 Ų182117.8 Ų117.879%0.79171%0.709SS**  trans-6490.6156.4-72.8179.3176.7179.70106.4K68 L72K68-K70 VanDerWaalsContact C-N 3.33Å; K68-K70 PolarHBondContact O-N 3.46Å; K70-L72 PolarHBondContact O-N 3.42Å
71S38.7Very low54.7Low110 Ų110117 Ų11777%0.76969%0.686SS**  trans-78.297.2158.4177.40000106.6G69 G73G69-S71 PolarHBondContact O-N 3.08Å; S71-G73 PolarHBondContact O-N 3.37Å; S71-G73 PolarHBondContact OG-N 3.27Å
72L46.4Very low57.1Low177 Ų177117.7 Ų117.793%0.92768%0.682SS**  trans-67.373.1152.5-79.8152.2000107.1K70K70-L72 PolarHBondContact O-N 3.42Å
73G43.3Very low59.8Low43 Ų43118.4 Ų118.444%0.44367%0.671SS.*  trans-110.2123.5159.200000105.1S71 A75S71-G73 PolarHBondContact O-N 3.37Å; S71-G73 PolarHBondContact OG-N 3.27Å; G73-A75 VanDerWaalsContact C-N 3.27Å; G73-A75 PolarHBondContact O-N 3.28Å
74Q45.3Very low62.3Low189 Ų189109 Ų10988%0.88363%0.631SS**  trans-50103.4161.7-72160.7-39.900105.9Y76Q74-Y76 PolarHBondContact O-N 3.36Å
75A59.5Low64.8Low83 Ų83111.8 Ų111.869%0.68662%0.622SS**  trans-70.689.6177.100000104.6G73G73-A75 VanDerWaalsContact C-N 3.27Å; G73-A75 PolarHBondContact O-N 3.28Å
76Y69Low67.1Low195 Ų195115.5 Ų115.577%0.76563%0.631SS**PPolyproline II helixtrans-57.7128.2-179.9-136.8-90.7000106.8Q74 C78Q74-Y76 PolarHBondContact O-N 3.36Å; Y76-C78 PolarHBondContact O-N 2.85Å; Y76-C78 VanDerWaalsContact O-N 3.12Å
77P87.3Confident69.1Low71 Ų71111.3 Ų111.346%0.46161%0.605SS.*PPolyproline II helixtrans-60.7122-179.923.1-31.2000108.5S98P77-S98 VanDerWaalsContact CA-O 3.31Å; P77-S98 WeakPolarHBondContact CA-O 2.98Å; P77-S98 WeakPolarHBondContact CA-OG 3.2Å; P77-S98 VanDerWaalsContact CB-OG 3.25Å; P77-S98 WeakPolarHBondContact CB-OG 3.25Å
78C90.2Very high71.4Confident5 Ų5107.2 Ų107.23%0.03459%0.585CS.*PPolyproline II helixtrans-76.2141.9177.159.40000109.6Y76 E83 C90 S98Y76-C78 PolarHBondContact O-N 2.85Å; Y76-C78 VanDerWaalsContact O-N 3.12Å; C78-E83 VanDerWaalsContact CA-OE2 3.26Å; C78-E83 WeakPolarHBondContact CA-OE2 3.42Å; C78-E83 HydrophobicContact CB-CB 4.48Å; C78-C90 HydrophobicContact CB-CB 3.82Å; C78-C90 WeakPolarHBondContact CB-SG 3.05Å; C78-C90 PolarHBondContact O-SG 3.45Å; C78-C90 WeakPolarHBondContact SG-CA 3.48Å; C78-C90 WeakPolarHBondContact SG-CB 3.36Å; C78-C90 CovalentContact SG-SG 2.04Å; C78-C90 PolarHBondContact SG-SG 3.38Å; C78-S98 PolarHBondContact N-OG 3Å; C78-S98 WeakPolarHBondContact O-CB 3.32Å; C78-S98 PolarHBondContact O-OG 2.99Å
79S88.9Confident73.5Confident104 Ų10498.1 Ų98.173%0.72755%0.545SS*.SBendtrans-98.4-24.2170.582.20000112E83S79-E83 WeakPolarHBondContact CB-OE1 3.47Å; S79-E83 PolarHBondContact N-OE1 3Å; S79-E83 PolarHBondContact N-OE2 2.96Å; S79-E83 PolarHBondContact OG-OE1 3.32Å
80S88.6Confident76.2Confident40 Ų4095.6 Ų95.628%0.2852%0.516SS..SBendtrans-147.9160.3-177.270.50000112.9K82 E83 C90S80-K82 PolarHBondContact O-N 2.85Å; S80-K82 VanDerWaalsContact O-N 3.15Å; S80-E83 PolarHBondContact N-OE1 3.04Å; S80-E83 PolarHBondContact O-N 3.22Å; S80-E83 PolarHBondContact OG-OE1 3.43Å; S80-C90 VanDerWaalsContact C-CB 3.49Å
81D89.4Confident78.3Confident60 Ų6090.3 Ų90.332%0.32149%0.494SS..G310 helixtrans-60.8-22.3176-65-7.8000112.4E83 C84 C90D81-E83 VanDerWaalsContact C-N 3.26Å; D81-E83 PolarHBondContact O-N 3.26Å; D81-C84 WeakPolarHBondContact O-CB 3.41Å; D81-C84 PolarHBondContact O-N 2.83Å; D81-C84 VanDerWaalsContact O-N 3.08Å; D81-C90 WeakPolarHBondContact OD1-CB 3.42Å; D81-C90 PolarHBondContact OD1-N 2.82Å
82K88.3Confident80.7Confident188 Ų18889.2 Ų89.282%0.81749%0.486SS*.G310 helixtrans-69.5-23.2-179.2-61-177.9-179179.60113.2S80S80-K82 PolarHBondContact O-N 2.85Å; S80-K82 VanDerWaalsContact O-N 3.15Å
83E89.6Confident82.5Confident99 Ų9983.2 Ų83.246%0.46346%0.458SS..G310 helixtrans-80.7-11.7174.9-67.2155.4-122.600111.7C78 S79 S80 D81C78-E83 VanDerWaalsContact CA-OE2 3.26Å; C78-E83 WeakPolarHBondContact CA-OE2 3.42Å; C78-E83 HydrophobicContact CB-CB 4.48Å; S79-E83 WeakPolarHBondContact CB-OE1 3.47Å; S79-E83 PolarHBondContact N-OE1 3Å; S79-E83 PolarHBondContact N-OE2 2.96Å; S79-E83 PolarHBondContact OG-OE1 3.32Å; S80-E83 PolarHBondContact N-OE1 3.04Å; S80-E83 PolarHBondContact O-N 3.22Å; S80-E83 PolarHBondContact OG-OE1 3.43Å; D81-E83 VanDerWaalsContact C-N 3.26Å; D81-E83 PolarHBondContact O-N 3.26Å
84C89.1Confident84.2Confident14 Ų1490.5 Ų90.510%0.09548%0.48CS..SBendtrans-96.3145178.1-560000110.7D81 R88 C100D81-C84 WeakPolarHBondContact O-CB 3.41Å; D81-C84 PolarHBondContact O-N 2.83Å; D81-C84 VanDerWaalsContact O-N 3.08Å; C84-R88 HydrophobicContact CB-CB 3.82Å; C84-C100 WeakPolarHBondContact CA-SG 3.23Å; C84-C100 HydrophobicContact CB-CB 3.76Å; C84-C100 WeakPolarHBondContact CB-SG 3.5Å; C84-C100 VanDerWaalsContact SG-CA 3.51Å; C84-C100 WeakPolarHBondContact SG-CB 3.01Å; C84-C100 CovalentContact SG-SG 2.04Å; C84-C100 PolarHBondContact SG-SG 3.21Å
85E87.8Confident85.7Confident141 Ų14190.5 Ų90.566%0.65948%0.48SS*.PPolyproline II helixtrans-58.6158.9175-63.6168.1164.600112.3G87 R88E85-G87 PolarHBondContact O-N 2.8Å; E85-R88 WeakPolarHBondContact O-CB 3.43Å; E85-R88 PolarHBondContact O-N 2.9Å
86V85.3Confident86.6Confident147 Ų14788.9 Ų88.989%0.89147%0.471SS*.THydrogen-bonded Turntrans-54.2129.8177.1-176.90000110.7
87G85.9Confident87.3Confident26 Ų2684.2 Ų84.227%0.26847%0.467SS..THydrogen-bonded Turntrans82.713.8-174.800000113.9E85 C103E85-G87 PolarHBondContact O-N 2.8Å; G87-C103 VanDerWaalsContact O-CB 3.24Å; G87-C103 WeakPolarHBondContact O-CB 3.18Å; G87-C103 PolarHBondContact O-N 3.49Å; G87-C103 PolarHBondContact O-SG 3.35Å; G87-C103 VanDerWaalsContact O-SG 3.35Å
88R92.3Very high87.5Confident109 Ų10981.7 Ų81.741%0.41145%0.451SS..EExtended strand (participates in β ladder)trans-124.1159168.2-63.1-174.1143.3-171.8-7.7111.1C84 E85 M101C84-R88 HydrophobicContact CB-CB 3.82Å; E85-R88 WeakPolarHBondContact O-CB 3.43Å; E85-R88 PolarHBondContact O-N 2.9Å; R88-M101 CarbonylContact C-O 3.44Å; R88-M101 WeakPolarHBondContact CA-O 3.3Å; R88-M101 VanDerWaalsContact CB-O 3.3Å; R88-M101 WeakPolarHBondContact CB-O 2.95Å
89Y92.4Very high87.5Confident7 Ų782.9 Ų82.93%0.02746%0.461CS..EExtended strand (participates in β ladder)trans-136.8153.7176.974.8-82.8000110.1H91 C100 M101 V102 R104 G114 M115Y89-H91 HydrophobicContact CD2-CB 4.39Å; Y89-H91 HydrophobicContact CE2-CB 3.73Å; Y89-H91 PolarHBondContact O-N 3Å; Y89-C100 WeakPolarHBondContact O-CA 3.3Å; Y89-M101 HydrophobicContact CD1-CB 4.26Å; Y89-M101 WeakPolarHBondContact CD1-O 2.95Å; Y89-M101 HydrophobicContact CE1-CB 3.73Å; Y89-M101 HydrophobicContact CE2-CB 4.46Å; Y89-M101 PolarHBondContact N-O 3.32Å; Y89-M101 PolarHBondContact O-N 2.73Å; Y89-V102 VanDerWaalsContact CE1-O 3.32Å; Y89-V102 WeakPolarHBondContact CE1-O 3.3Å; Y89-R104 HydrophobicContact CE1-CG 4.31Å; Y89-R104 PolarHBondContact OH-NE 2.03Å; Y89-R104 PolarHBondContact OH-NH2 3.44Å; Y89-G114 WeakPolarHBondContact CB-O 3.38Å; Y89-M115 HydrophobicContact CD1-CB 4.38Å; Y89-M115 HydrophobicContact CD2-CB 4.35Å; Y89-M115 HydrophobicContact CD2-CE 4.23Å; Y89-M115 HydrophobicContact CD2-CG 3.8Å; Y89-M115 HydrophobicContact CE1-CB 4.42Å; Y89-M115 HydrophobicContact CE2-CB 4.39Å; Y89-M115 HydrophobicContact CE2-CE 3.33Å; Y89-M115 HydrophobicContact CE2-CG 3.85Å; Y89-M115 HydrophobicContact CE2-SD 4.4Å; Y89-M115 HydrophobicContact CG-CB 4.35Å; Y89-M115 HydrophobicContact CG-CG 4.24Å; Y89-M115 WeakPolarHBondContact OH-CE 3.15Å
90C93.4Very high87.7Confident17 Ų1779.8 Ų79.812%0.11544%0.439CS..EExtended strand (participates in β ladder)trans-81.6116.4177.5-173.80000110.7C78 S80 D81C78-C90 HydrophobicContact CB-CB 3.82Å; C78-C90 WeakPolarHBondContact CB-SG 3.05Å; C78-C90 PolarHBondContact O-SG 3.45Å; C78-C90 WeakPolarHBondContact SG-CA 3.48Å; C78-C90 WeakPolarHBondContact SG-CB 3.36Å; C78-C90 CovalentContact SG-SG 2.04Å; C78-C90 PolarHBondContact SG-SG 3.38Å; S80-C90 VanDerWaalsContact C-CB 3.49Å; D81-C90 WeakPolarHBondContact OD1-CB 3.42Å; D81-C90 PolarHBondContact OD1-N 2.82Å
91H92.6Very high87.9Confident72 Ų7282.2 Ų82.233%0.33345%0.447SS..EExtended strand (participates in β ladder)trans-103.6111.2176.1-177.2-95.8000110.1Y89 P93 S98 A99 M101Y89-H91 HydrophobicContact CD2-CB 4.39Å; Y89-H91 HydrophobicContact CE2-CB 3.73Å; Y89-H91 PolarHBondContact O-N 3Å; H91-P93 WeakPolarHBondContact O-CD 3.15Å; H91-S98 VanDerWaalsContact O-CA 3.28Å; H91-S98 WeakPolarHBondContact O-CA 3.46Å; H91-A99 PolarHBondContact N-O 3.05Å; H91-A99 PolarHBondContact O-N 3.43Å; H91-M101 HydrophobicContact CB-CB 4.32Å; H91-M101 HydrophobicContact CB-CG 3.62Å
92S89.3Confident88.1Confident87 Ų8783.8 Ų83.861%0.60846%0.459SS*.  trans-110.296.1176.6-171.20000110.7
93P84.1Confident88.4Confident51 Ų5175.8 Ų75.833%0.33143%0.426SS..  trans-68.4151.8172.729.2-31.4000110.6H91 Q95H91-P93 WeakPolarHBondContact O-CD 3.15Å; P93-Q95 PolarHBondContact O-N 2.02Å; P93-Q95 VanDerWaalsContact O-N 3.11Å
94H79.8Confident88.6Confident195 Ų19574.8 Ų74.890%0.90342%0.418SS*.THydrogen-bonded Turntrans-61.7-20.8-179.2-168.457.9000113.6
95Q76.1Confident88.9Confident190 Ų19083.5 Ų83.589%0.88845%0.449SS*.THydrogen-bonded Turntrans-133.556.6-179.7-63.1-168.587.900111.6P93P93-Q95 PolarHBondContact O-N 2.02Å; P93-Q95 VanDerWaalsContact O-N 3.11Å
96G78.6Confident89.1Confident48 Ų4883.1 Ų83.150%0.49545%0.445SS..SBendtrans-176.1171.7174.400000114
97S83.8Confident89.4Confident98 Ų9885.1 Ų85.169%0.68544%0.442SS*.  trans-67.4134.2174.255.50000110.5
98S90.9Very high89.8Confident17 Ų1789.9 Ų89.912%0.11946%0.455CS..  trans-64.8144.9171.252.30000110.6P77 C78 H91P77-S98 VanDerWaalsContact CA-O 3.31Å; P77-S98 WeakPolarHBondContact CA-O 2.98Å; P77-S98 WeakPolarHBondContact CA-OG 3.2Å; P77-S98 VanDerWaalsContact CB-OG 3.25Å; P77-S98 WeakPolarHBondContact CB-OG 3.25Å; C78-S98 PolarHBondContact N-OG 3Å; C78-S98 WeakPolarHBondContact O-CB 3.32Å; C78-S98 PolarHBondContact O-OG 2.99Å; H91-S98 VanDerWaalsContact O-CA 3.28Å; H91-S98 WeakPolarHBondContact O-CA 3.46Å
99A91.7Very high90Very high30 Ų3094.5 Ų94.525%0.24847%0.473CS..EExtended strand (participates in β ladder)trans-148.9148178.900000111.3H91 M101H91-A99 PolarHBondContact N-O 3.05Å; H91-A99 PolarHBondContact O-N 3.43Å; A99-M101 PolarHBondContact O-N 3.47Å
100C92.6Very high90.1Very high39 Ų3994.8 Ų94.826%0.26448%0.475SS..EExtended strand (participates in β ladder)trans-71.5118.3173.5-67.60000110.6C84 Y89C84-C100 WeakPolarHBondContact CA-SG 3.23Å; C84-C100 HydrophobicContact CB-CB 3.76Å; C84-C100 WeakPolarHBondContact CB-SG 3.5Å; C84-C100 VanDerWaalsContact SG-CA 3.51Å; C84-C100 WeakPolarHBondContact SG-CB 3.01Å; C84-C100 CovalentContact SG-SG 2.04Å; C84-C100 PolarHBondContact SG-SG 3.21Å; Y89-C100 WeakPolarHBondContact O-CA 3.3Å
101M92Very high90.1Very high92 Ų92100.9 Ų100.945%0.45350%0.502SS..EExtended strand (participates in β ladder)trans-112.5149.1-179.4-65.1-66.3-7900110.2R88 Y89 H91 A99R88-M101 CarbonylContact C-O 3.44Å; R88-M101 WeakPolarHBondContact CA-O 3.3Å; R88-M101 VanDerWaalsContact CB-O 3.3Å; R88-M101 WeakPolarHBondContact CB-O 2.95Å; Y89-M101 HydrophobicContact CD1-CB 4.26Å; Y89-M101 WeakPolarHBondContact CD1-O 2.95Å; Y89-M101 HydrophobicContact CE1-CB 3.73Å; Y89-M101 HydrophobicContact CE2-CB 4.46Å; Y89-M101 PolarHBondContact N-O 3.32Å; Y89-M101 PolarHBondContact O-N 2.73Å; H91-M101 HydrophobicContact CB-CB 4.32Å; H91-M101 HydrophobicContact CB-CG 3.62Å; A99-M101 PolarHBondContact O-N 3.47Å
102V93.7Very high90.1Very high93 Ų93105.3 Ų105.356%0.56452%0.516SS*.EExtended strand (participates in β ladder)trans-64.3140.5176.2-176.80000110.6Y89Y89-V102 VanDerWaalsContact CE1-O 3.32Å; Y89-V102 WeakPolarHBondContact CE1-O 3.3Å
103C94.9Very high90.2Very high20 Ų20105 Ų10514%0.13551%0.507CS..PPolyproline II helixtrans-53.1152.6174.969.10000111.9G87 C117G87-C103 VanDerWaalsContact O-CB 3.24Å; G87-C103 WeakPolarHBondContact O-CB 3.18Å; G87-C103 PolarHBondContact O-N 3.49Å; G87-C103 PolarHBondContact O-SG 3.35Å; G87-C103 VanDerWaalsContact O-SG 3.35Å; C103-C117 HydrophobicContact CB-CB 3.94Å; C103-C117 WeakPolarHBondContact CB-SG 3.4Å; C103-C117 PolarHBondContact O-SG 2.92Å; C103-C117 VanDerWaalsContact O-SG 3.36Å; C103-C117 WeakPolarHBondContact SG-CA 3.45Å; C103-C117 WeakPolarHBondContact SG-CB 3.38Å; C103-C117 CovalentContact SG-SG 2.05Å; C103-C117 PolarHBondContact SG-SG 2.79Å
104R94.8Very high90.4Very high77 Ų77104.3 Ų104.329%0.29151%0.509SS..BIsolated β-bridgetrans-91.5129.8-176.1-60.6-179.2178.1-109.7-7.3109.2Y89 K108 R109 M115 C117Y89-R104 HydrophobicContact CE1-CG 4.31Å; Y89-R104 PolarHBondContact OH-NE 2.03Å; Y89-R104 PolarHBondContact OH-NH2 3.44Å; R104-K108 HydrophobicContact CB-CB 4.03Å; R104-R109 WeakPolarHBondContact CD-O 3.16Å; R104-R109 PolarHBondContact NE-O 2.98Å; R104-R109 PolarHBondContact NH1-O 3.35Å; R104-M115 WeakPolarHBondContact CA-O 3.27Å; R104-M115 WeakPolarHBondContact CB-O 3.37Å; R104-M115 VanDerWaalsContact CG-O 3.26Å; R104-M115 WeakPolarHBondContact CG-O 3.07Å; R104-M115 PolarHBondContact N-O 3.11Å; R104-C117 VanDerWaalsContact C-SG 3.58Å; R104-C117 PolarHBondContact O-N 2.67Å; R104-C117 PolarHBondContact O-SG 3.48Å; R104-C117 VanDerWaalsContact O-SG 3.4Å
105R93.9Very high91.1Very high198 Ų19896 Ų9675%0.74747%0.471SS*.PPolyproline II helixtrans-69.8168.9177.4-62-175.4-176.1172.60.9111.4K108R105-K108 HydrophobicContact CB-CG 4.46Å; R105-K108 VanDerWaalsContact O-CB 3.23Å; R105-K108 WeakPolarHBondContact O-CB 3.33Å; R105-K108 VanDerWaalsContact O-CG 3.3Å; R105-K108 WeakPolarHBondContact O-CG 3.43Å; R105-K108 PolarHBondContact O-N 3.39Å
106K92.5Very high92Very high133 Ų13387.5 Ų87.558%0.57843%0.433SS*.THydrogen-bonded Turntrans-47.4143.8174.5-67.9176.8-178.5-179.60111.8K108 T120K106-K108 PolarHBondContact O-N 2.94Å; K106-T120 HydrophobicContact CD-CG2 4.24Å; K106-T120 HydrophobicContact CG-CG2 3.48Å; K106-T120 VanDerWaalsContact CG-CG2 3.48Å
107K91.8Very high92.8Very high188 Ų18886.4 Ų86.482%0.81742%0.417SS*.THydrogen-bonded Turntrans64.26.5-179-55.5-180179.2-179.30115.4C127K107-C127 PolarHBondContact N-O 3.03Å
108K95.3Very high93.1Very high126 Ų12686.9 Ų86.955%0.54842%0.418SS..  trans-86.6151.9174.5-62.7-60.4-175.7-1790111.5R104 R105 K106 I126 C127R104-K108 HydrophobicContact CB-CB 4.03Å; R105-K108 HydrophobicContact CB-CG 4.46Å; R105-K108 VanDerWaalsContact O-CB 3.23Å; R105-K108 WeakPolarHBondContact O-CB 3.33Å; R105-K108 VanDerWaalsContact O-CG 3.3Å; R105-K108 WeakPolarHBondContact O-CG 3.43Å; R105-K108 PolarHBondContact O-N 3.39Å; K106-K108 PolarHBondContact O-N 2.94Å; K108-I126 WeakPolarHBondContact O-CA 3.34Å; K108-C127 PolarHBondContact O-N 2.74Å
109R95.1Very high93Very high207 Ų20788.7 Ų88.778%0.78144%0.439SS*.BIsolated β-bridgetrans-69.6131.3-179.1-159.6170.5-167.8172.82.1110.9R104 G125R104-R109 WeakPolarHBondContact CD-O 3.16Å; R104-R109 PolarHBondContact NE-O 2.98Å; R104-R109 PolarHBondContact NH1-O 3.35Å; R109-G125 CarbonylContact C-O 3.5Å; R109-G125 WeakPolarHBondContact CA-O 3.12Å; R109-G125 WeakPolarHBondContact CG-O 3.45Å
110C94.8Very high93.2Very high12 Ų1288 Ų888%0.08143%0.432CS..  trans-132.6165-178.859.50000110.5M115 C122 G125 I126C110-M115 HydrophobicContact CB-CB 4.38Å; C110-C122 HydrophobicContact CB-CB 3.87Å; C110-C122 WeakPolarHBondContact CB-SG 3.41Å; C110-C122 WeakPolarHBondContact SG-CA 3.35Å; C110-C122 WeakPolarHBondContact SG-CB 3.44Å; C110-C122 CovalentContact SG-SG 2.03Å; C110-C122 PolarHBondContact SG-SG 3.48Å; C110-G125 PolarHBondContact N-O 2.84Å; C110-G125 VanDerWaalsContact O-CA 3.28Å; C110-G125 WeakPolarHBondContact O-CA 3.36Å; C110-I126 PolarHBondContact SG-N 3.34Å
111H93.5Very high93.2Very high146 Ų14690.6 Ų90.668%0.67644%0.436SS*.SBendtrans-121.4-27.8171.8-178.560.3000111.6M115H111-M115 HydrophobicContact CB-SD 3.71Å; H111-M115 PolarHBondContact N-SD 2.66Å
112R92.2Very high93.3Very high165 Ų16587.1 Ų87.162%0.62342%0.421SS*.SBendtrans-139.6158178.6-53.7-179.7-161.7163.85.1110.3G114 M115R112-G114 VanDerWaalsContact C-N 3.32Å; R112-G114 PolarHBondContact O-N 2.95Å; R112-M115 HydrophobicContact CB-CG 4.37Å; R112-M115 WeakPolarHBondContact O-CB 3.43Å; R112-M115 PolarHBondContact O-N 3.45Å; R112-M115 VanDerWaalsContact O-N 3.13Å
113D91.5Very high93.3Very high79 Ų7986.3 Ų86.342%0.42241%0.413SS..G310 helixtrans-59.8-39.7179.7-69.2-29.8000112.7M115 C116 C122D113-M115 PolarHBondContact O-N 3.3Å; D113-C116 WeakPolarHBondContact O-CB 3.04Å; D113-C116 PolarHBondContact O-N 3.4Å; D113-C122 WeakPolarHBondContact OD1-CA 3.36Å; D113-C122 WeakPolarHBondContact OD1-CB 3.45Å; D113-C122 PolarHBondContact OD1-N 3.31Å
114G89.9Confident93.3Very high37 Ų3792.7 Ų92.738%0.38145%0.446SS..G310 helixtrans-60.9-17.8177.400000114.4Y89 R112 C116Y89-G114 WeakPolarHBondContact CB-O 3.38Å; R112-G114 VanDerWaalsContact C-N 3.32Å; R112-G114 PolarHBondContact O-N 2.95Å; G114-C116 VanDerWaalsContact C-N 3.28Å; G114-C116 PolarHBondContact O-N 2.91Å
115M93.7Very high93.3Very high21 Ų2190.2 Ų90.210%0.10344%0.444CS..G310 helixtrans-75.7-18.3173.2-54.4-17984.700112.6Y89 R104 C110 H111 R112 D113Y89-M115 HydrophobicContact CD1-CB 4.38Å; Y89-M115 HydrophobicContact CD2-CB 4.35Å; Y89-M115 HydrophobicContact CD2-CE 4.23Å; Y89-M115 HydrophobicContact CD2-CG 3.8Å; Y89-M115 HydrophobicContact CE1-CB 4.42Å; Y89-M115 HydrophobicContact CE2-CB 4.39Å; Y89-M115 HydrophobicContact CE2-CE 3.33Å; Y89-M115 HydrophobicContact CE2-CG 3.85Å; Y89-M115 HydrophobicContact CE2-SD 4.4Å; Y89-M115 HydrophobicContact CG-CB 4.35Å; Y89-M115 HydrophobicContact CG-CG 4.24Å; Y89-M115 WeakPolarHBondContact OH-CE 3.15Å; R104-M115 WeakPolarHBondContact CA-O 3.27Å; R104-M115 WeakPolarHBondContact CB-O 3.37Å; R104-M115 VanDerWaalsContact CG-O 3.26Å; R104-M115 WeakPolarHBondContact CG-O 3.07Å; R104-M115 PolarHBondContact N-O 3.11Å; C110-M115 HydrophobicContact CB-CB 4.38Å; H111-M115 HydrophobicContact CB-SD 3.71Å; H111-M115 PolarHBondContact N-SD 2.66Å; R112-M115 HydrophobicContact CB-CG 4.37Å; R112-M115 WeakPolarHBondContact O-CB 3.43Å; R112-M115 PolarHBondContact O-N 3.45Å; R112-M115 VanDerWaalsContact O-N 3.13Å; D113-M115 PolarHBondContact O-N 3.3Å
116C94.6Very high93.4Very high11 Ų1184.6 Ų84.67%0.07443%0.428CS..BIsolated β-bridgetrans-93.5145.6-176.1-63.30000110.7D113 G114 T120 C127D113-C116 WeakPolarHBondContact O-CB 3.04Å; D113-C116 PolarHBondContact O-N 3.4Å; G114-C116 VanDerWaalsContact C-N 3.28Å; G114-C116 PolarHBondContact O-N 2.91Å; C116-T120 WeakPolarHBondContact CB-OG1 3.24Å; C116-C127 VanDerWaalsContact CA-SG 3.54Å; C116-C127 HydrophobicContact CB-CB 3.82Å; C116-C127 WeakPolarHBondContact CB-SG 3.45Å; C116-C127 WeakPolarHBondContact SG-CA 3.37Å; C116-C127 WeakPolarHBondContact SG-CB 3.35Å; C116-C127 CovalentContact SG-SG 2.05Å; C116-C127 PolarHBondContact SG-SG 3.06Å
117C94.6Very high93.6Very high25 Ų2578.3 Ų78.317%0.16940%0.401CS..PPolyproline II helixtrans-66.8160.2179.8-65.10000112.3C103 R104 G119 T120C103-C117 HydrophobicContact CB-CB 3.94Å; C103-C117 WeakPolarHBondContact CB-SG 3.4Å; C103-C117 PolarHBondContact O-SG 2.92Å; C103-C117 VanDerWaalsContact O-SG 3.36Å; C103-C117 WeakPolarHBondContact SG-CA 3.45Å; C103-C117 WeakPolarHBondContact SG-CB 3.38Å; C103-C117 CovalentContact SG-SG 2.05Å; C103-C117 PolarHBondContact SG-SG 2.79Å; R104-C117 VanDerWaalsContact C-SG 3.58Å; R104-C117 PolarHBondContact O-N 2.67Å; R104-C117 PolarHBondContact O-SG 3.48Å; R104-C117 VanDerWaalsContact O-SG 3.4Å; C117-G119 PolarHBondContact O-N 2.84Å; C117-T120 PolarHBondContact N-OG1 2.84Å; C117-T120 PolarHBondContact O-N 3.44Å; C117-T120 PolarHBondContact O-OG1 2.72Å
118P91.2Very high93.7Very high108 Ų10872 Ų7270%0.70138%0.376SS*.THydrogen-bonded Turntrans-48.2138.9177.7-29.435.8000113.2T120P118-T120 VanDerWaalsContact C-N 3.28Å; P118-T120 PolarHBondContact O-N 3.03Å
119G89.8Confident93.6Very high55 Ų5569 Ų6957%0.56737%0.369SS*.THydrogen-bonded Turntrans77.98.1-174.700000114.6C117 P129 V130C117-G119 PolarHBondContact O-N 2.84Å; G119-P129 WeakPolarHBondContact O-CA 3.25Å; G119-V130 PolarHBondContact O-N 3.1Å
120T93.9Very high93.2Very high16 Ų1662.1 Ų62.110%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-133149.9173.5640000111.6K106 C116 C117 P118 I128K106-T120 HydrophobicContact CD-CG2 4.24Å; K106-T120 HydrophobicContact CG-CG2 3.48Å; K106-T120 VanDerWaalsContact CG-CG2 3.48Å; C116-T120 WeakPolarHBondContact CB-OG1 3.24Å; C117-T120 PolarHBondContact N-OG1 2.84Å; C117-T120 PolarHBondContact O-N 3.44Å; C117-T120 PolarHBondContact O-OG1 2.72Å; P118-T120 VanDerWaalsContact C-N 3.28Å; P118-T120 PolarHBondContact O-N 3.03Å; T120-I128 CarbonylContact C-O 3.43Å; T120-I128 WeakPolarHBondContact CA-O 3.49Å; T120-I128 WeakPolarHBondContact CB-O 3.43Å
121R93.1Very high92.1Very high93 Ų9365.4 Ų65.435%0.35137%0.37SS..EExtended strand (participates in β ladder)trans-127.9157.4176.663.8174.1-67.5167.72111N123 C127 I128 V130R121-N123 PolarHBondContact O-N 2.04Å; R121-C127 CarbonylContact O-C 3.46Å; R121-C127 WeakPolarHBondContact O-CA 3.45Å; R121-I128 HydrophobicContact CG-CG1 4.03Å; R121-I128 PolarHBondContact N-O 2.88Å; R121-I128 PolarHBondContact O-N 2.9Å; R121-V130 HydrophobicContact CB-CG2 4Å; R121-V130 HydrophobicContact CG-CG2 3.99Å
122C95Very high90.3Very high20 Ų2066 Ų6614%0.13537%0.373CS..EExtended strand (participates in β ladder)trans-78.9117.6174.1-164.60000110.1C110 D113C110-C122 HydrophobicContact CB-CB 3.87Å; C110-C122 WeakPolarHBondContact CB-SG 3.41Å; C110-C122 WeakPolarHBondContact SG-CA 3.35Å; C110-C122 WeakPolarHBondContact SG-CB 3.44Å; C110-C122 CovalentContact SG-SG 2.03Å; C110-C122 PolarHBondContact SG-SG 3.48Å; D113-C122 WeakPolarHBondContact OD1-CA 3.36Å; D113-C122 WeakPolarHBondContact OD1-CB 3.45Å; D113-C122 PolarHBondContact OD1-N 3.31Å
123N94Very high88.3Confident75 Ų7562.5 Ų62.540%0.40137%0.374SS..EExtended strand (participates in β ladder)trans-132.3127.7173.4-174.941.1000109R121 G125 I126 I128R121-N123 PolarHBondContact O-N 2.04Å; N123-G125 PolarHBondContact O-N 3.4Å; N123-G125 VanDerWaalsContact O-N 3.09Å; N123-I126 PolarHBondContact N-O 3.01Å; N123-I126 PolarHBondContact O-N 3.43Å; N123-I126 VanDerWaalsContact O-O 3.06Å; N123-I128 HydrophobicContact CB-CD1 3.36Å; N123-I128 HydrophobicContact CB-CG1 3.62Å; N123-I128 HydrophobicContact CB-CG2 4.44Å
124N94.5Very high86.5Confident155 Ų15563.6 Ų63.683%0.82938%0.378SS*.THydrogen-bonded Turntrans47.838-175.5-66.61.6000113.5I126N124-I126 VanDerWaalsContact C-N 3.3Å; N124-I126 PolarHBondContact O-N 3.18Å
125G94.7Very high84.8Confident24 Ų2468 Ų6825%0.24739%0.392CS..THydrogen-bonded Turntrans73.115.2179.600000115R109 C110 N123R109-G125 CarbonylContact C-O 3.5Å; R109-G125 WeakPolarHBondContact CA-O 3.12Å; R109-G125 WeakPolarHBondContact CG-O 3.45Å; C110-G125 PolarHBondContact N-O 2.84Å; C110-G125 VanDerWaalsContact O-CA 3.28Å; C110-G125 WeakPolarHBondContact O-CA 3.36Å; N123-G125 PolarHBondContact O-N 3.4Å; N123-G125 VanDerWaalsContact O-N 3.09Å
126I96.2Very high82.2Confident80 Ų8071 Ų7141%0.4141%0.412SS..EExtended strand (participates in β ladder)trans-127.7137.2176.2-59.8-175.1000110.4K108 C110 N123 N124 I128K108-I126 WeakPolarHBondContact O-CA 3.34Å; C110-I126 PolarHBondContact SG-N 3.34Å; N123-I126 PolarHBondContact N-O 3.01Å; N123-I126 PolarHBondContact O-N 3.43Å; N123-I126 VanDerWaalsContact O-O 3.06Å; N124-I126 VanDerWaalsContact C-N 3.3Å; N124-I126 PolarHBondContact O-N 3.18Å; I126-I128 PolarHBondContact O-N 2.78Å
127C96Very high79.8Confident1 Ų175.3 Ų75.31%0.00744%0.44CS..EExtended strand (participates in β ladder)trans-70.7110.9173.1-630000110.7K107 K108 C116 R121K107-C127 PolarHBondContact N-O 3.03Å; K108-C127 PolarHBondContact O-N 2.74Å; C116-C127 VanDerWaalsContact CA-SG 3.54Å; C116-C127 HydrophobicContact CB-CB 3.82Å; C116-C127 WeakPolarHBondContact CB-SG 3.45Å; C116-C127 WeakPolarHBondContact SG-CA 3.37Å; C116-C127 WeakPolarHBondContact SG-CB 3.35Å; C116-C127 CovalentContact SG-SG 2.05Å; C116-C127 PolarHBondContact SG-SG 3.06Å; R121-C127 CarbonylContact O-C 3.46Å; R121-C127 WeakPolarHBondContact O-CA 3.45Å
128I94.7Very high77.1Confident57 Ų5782.2 Ų82.229%0.29247%0.469SS..EExtended strand (participates in β ladder)trans-110.4152.6177.363.7161.4000110.5T120 R121 N123 I126T120-I128 CarbonylContact C-O 3.43Å; T120-I128 WeakPolarHBondContact CA-O 3.49Å; T120-I128 WeakPolarHBondContact CB-O 3.43Å; R121-I128 HydrophobicContact CG-CG1 4.03Å; R121-I128 PolarHBondContact N-O 2.88Å; R121-I128 PolarHBondContact O-N 2.9Å; N123-I128 HydrophobicContact CB-CD1 3.36Å; N123-I128 HydrophobicContact CB-CG1 3.62Å; N123-I128 HydrophobicContact CB-CG2 4.44Å; I126-I128 PolarHBondContact O-N 2.78Å
129P92.8Very high75.2Confident62 Ų6283.7 Ų83.740%0.40347%0.47SS..EExtended strand (participates in β ladder)trans-59140.9172.526.7-34.4000110.6G119 T131G119-P129 WeakPolarHBondContact O-CA 3.25Å; P129-T131 PolarHBondContact O-N 2.92Å
130V86.1Confident73Confident63 Ų6386.8 Ų86.838%0.38248%0.48SS..  trans-71.3100.1165.8-177.60000105.8G119 R121G119-V130 PolarHBondContact O-N 3.1Å; R121-V130 HydrophobicContact CB-CG2 4Å; R121-V130 HydrophobicContact CG-CG2 3.99Å
131T73.3Confident70.3Confident80 Ų8090.8 Ų90.849%0.49152%0.515SS..  trans-70.1140.3171.1480000108.3P129 S133 I134P129-T131 PolarHBondContact O-N 2.92Å; T131-S133 PolarHBondContact O-N 2.75Å; T131-S133 PolarHBondContact OG1-OG 3.47Å; T131-I134 PolarHBondContact O-N 3.06Å
132E55.1Low67.9Low159 Ų15994.5 Ų94.574%0.74354%0.541SS*.G310 helixtrans-58.6-3.2178.6-63.7-167.6164.600114.1I134 L135E132-I134 PolarHBondContact O-N 3.26Å; E132-L135 PolarHBondContact O-N 3.1Å
133S50.4Low65.3Low91 Ų91100.6 Ų100.664%0.63657%0.572SS**G310 helixtrans-62.5-4.9169.763.40000114.7T131T131-S133 PolarHBondContact O-N 2.75Å; T131-S133 PolarHBondContact OG1-OG 3.47Å
134I53.4Low62.5Low102 Ų102100.2 Ų100.252%0.52359%0.585SS.*G310 helixtrans-106.5-1.1172.2-46.2-178.1000111.3T131 E132T131-I134 PolarHBondContact O-N 3.06Å; E132-I134 PolarHBondContact O-N 3.26Å
135L52.8Low60.2Low129 Ų12998.5 Ų98.568%0.67558%0.581SS**THydrogen-bonded Turntrans-112.71.7-178.2-69.9177.2000115E132 P137E132-L135 PolarHBondContact O-N 3.1Å; L135-P137 WeakPolarHBondContact O-CD 3.07Å
136T40.9Very low57.5Low85 Ų85108.9 Ų108.952%0.52161%0.613SS.*  trans-103.193.7168.923.20000111.4H138T136-H138 VanDerWaalsContact C-N 3.28Å; T136-H138 PolarHBondContact O-N 3.13Å; T136-H138 VanDerWaalsContact O-N 3.09Å
137P43.4Very low54.8Low101 Ų101113.2 Ų113.266%0.65663%0.631SS**  trans-60.1102.2137.1-8.224.7000106L135 I139L135-P137 WeakPolarHBondContact O-CD 3.07Å; P137-I139 HydrophobicContact CB-CD1 4.34Å; P137-I139 HydrophobicContact CB-CG1 4.18Å; P137-I139 PolarHBondContact O-N 3.35Å
138H38.7Very low52.3Low170 Ų170124.6 Ų124.679%0.78767%0.673SS**  trans-64.984.3164.4-87.2-79.6000108T136T136-H138 VanDerWaalsContact C-N 3.28Å; T136-H138 PolarHBondContact O-N 3.13Å; T136-H138 VanDerWaalsContact O-N 3.09Å
139I50.9Low49.8Very low140 Ų140127.8 Ų127.872%0.71869%0.691SS**  trans-94.3113.6161.9-57.9171.7000104.9P137 A141P137-I139 HydrophobicContact CB-CD1 4.34Å; P137-I139 HydrophobicContact CB-CG1 4.18Å; P137-I139 PolarHBondContact O-N 3.35Å; I139-A141 PolarHBondContact O-N 3.08Å; I139-A141 VanDerWaalsContact O-N 3.15Å
140P42.8Very low47.4Very low120 Ų120135.4 Ų135.478%0.77971%0.712SS**  trans-61.9118.7166.6-13.527.5000107.5L142P140-L142 PolarHBondContact O-N 3.15Å; P140-L142 VanDerWaalsContact O-N 3.08Å
141A38.2Very low45.1Very low100 Ų100138.9 Ų138.983%0.82673%0.729SS**  trans-59.9110.6172.100000108.8I139I139-A141 PolarHBondContact O-N 3.08Å; I139-A141 VanDerWaalsContact O-N 3.15Å
142L42Very low43.8Very low171 Ų171144.3 Ų144.390%0.89575%0.748SS**  trans-94.4117156.1-144.791.1000107.2P140P140-L142 PolarHBondContact O-N 3.15Å; P140-L142 VanDerWaalsContact O-N 3.08Å
143D41Very low43.1Very low148 Ų148140 Ų14079%0.79175%0.746SS**  trans-48.5141.9169.7-171.712.9000111.9
144G35.7Very low42.4Very low66 Ų66144.1 Ų144.168%0.6876%0.755SS**  trans171.166.8-171.600000114.1
145T44.3Very low42Very low120 Ų120150.6 Ų150.674%0.73677%0.774SS**  trans-27.6131.6165.157.70000115.9
146R38Very low41.4Very low241 Ų241149.4 Ų149.491%0.90978%0.777SS**  179.2122.6121.9-93.7163.7-165.3-152.34.3112.1
147H40.9Very low41.8Very low171 Ų171152.1 Ų152.179%0.79279%0.788SS**  trans-40.3134.3160.9-96.1-97.7000113.1D149H147-D149 IonicContact CE1-OD2 2.82Å; H147-D149 IonicContact ND1-OD2 3.86Å; H147-D149 PolarHBondContact ND1-OD2 2.8Å
148R42Very low41.8Very low240 Ų240154.7 Ų154.791%0.90679%0.791SS**  -155.4102.9127.9-167166.1173.3172.4-3.8110.7
149D44.2Very low42.4Very low125 Ų125152.2 Ų152.267%0.66878%0.784SS**  trans-56.8134159.5-75.9-75.4000111.7H147H147-D149 IonicContact CE1-OD2 2.82Å; H147-D149 IonicContact ND1-OD2 3.86Å; H147-D149 PolarHBondContact ND1-OD2 2.8Å
150R41.2Very low42.2Very low222 Ų222152.5 Ų152.584%0.83879%0.786SS**  -173.1112.9126.7-117.5177163.4166.3-4.9113.6
151N38.8Very low41.9Very low136 Ų136149.7 Ų149.773%0.72778%0.779SS**  trans69.1109.6135.1-67-3.3000122.5
152H45.3Very low42.3Very low193 Ų193157.1 Ų157.189%0.89479%0.786SS**  24.8118.5127.9-85.698.9000120.3
153G39.3Very low42.5Very low68 Ų68156.9 Ų156.970%0.70178%0.78SS**  97.697.711900000117.8
154H36.2Very low42.5Very low179 Ų179156.9 Ų156.983%0.82978%0.78SS**  -172.1119.1123.4-126.1-102.6000110S156H154-S156 PolarHBondContact O-N 3.36Å
155Y46.2Very low43Very low238 Ų238163.2 Ų163.293%0.93380%0.797SS**  trans-63.5126.2161.1-87.9-97.9000108
156S38.6Very low42.7Very low104 Ų104159.9 Ų159.973%0.72779%0.787SS**  trans-139.8110.6164-66.60000109.2H154H154-S156 PolarHBondContact O-N 3.36Å
157N49.7Very low43.4Very low142 Ų142158.1 Ų158.176%0.75978%0.78SS**  trans-46.2129.3159.7179.9-65.7000110.5D159N157-D159 PolarHBondContact OD1-N 3.09Å
158H43.1Very low43.3Very low154 Ų154155 Ų15571%0.71378%0.775SS**  trans-142.694142-165.1-95.2000108.1L160H158-L160 VanDerWaalsContact CE1-CG 3.41Å; H158-L160 WeakPolarHBondContact CE1-CG 2.97Å
159D53.1Low43.8Very low119 Ų119149.2 Ų149.264%0.63676%0.758SS**  trans-57.6123.2152.1-153.5-64.1000107.5N157N157-D159 PolarHBondContact OD1-N 3.09Å
160L45.1Very low43.8Very low145 Ų145147.9 Ų147.976%0.75975%0.754SS**  trans-173.7122.7144.6-80-160.2000109.2H158H158-L160 VanDerWaalsContact CE1-CG 3.41Å; H158-L160 WeakPolarHBondContact CE1-CG 2.97Å
161G37.3Very low44.1Very low61 Ų61146.2 Ų146.263%0.62975%0.753SS**  trans12063.514700000117.1Q163G161-Q163 PolarHBondContact O-N 3.42Å
162W46.6Very low44.4Very low257 Ų257146.3 Ų146.397%0.97375%0.751SS**  trans-62.489139-82.483.9000107.9
163Q47Very low44.6Very low166 Ų166141.5 Ų141.578%0.77674%0.739SS**  trans-159.8133.3161.1-105.8153.686.300108G161G161-Q163 PolarHBondContact O-N 3.42Å
164N40.5Very low45.6Very low148 Ų148144.2 Ų144.279%0.79173%0.733SS**  trans98.587.4172.9-50.3-60.1000116.1G166N164-G166 PolarHBondContact O-N 2.92Å
165L45.4Very low47.5Very low198 Ų198142.5 Ų142.5100%1.03773%0.729SS**  trans-49.962.2134.3-75.2150.4000111.3
166G39.1Very low49.5Very low51 Ų51134.5 Ų134.553%0.52670%0.699SS.*  trans-145.581.4-174.800000109.8N164N164-G166 PolarHBondContact O-N 2.92Å
167R51.7Low51.9Low203 Ų203130 Ų13077%0.76667%0.669SS**  trans16.4103.9150-168.2178.4-167.7-148.52.3114.9H169R167-H169 VanDerWaalsContact C-N 3.3Å; R167-H169 PolarHBondContact O-N 3.3Å
168P39.5Very low53.9Low105 Ų105128.7 Ų128.768%0.68266%0.658SS**  trans-71.4100.2152.422.8-12.9000105.6T170P168-T170 HydrophobicContact CB-CG2 4.21Å; P168-T170 PolarHBondContact O-N 3.04Å
169H51.2Low56.2Low119 Ų119127.8 Ų127.855%0.55165%0.654SS**  trans-70.554.5156.7-171.3-92.6000108.4R167 K171R167-H169 VanDerWaalsContact C-N 3.3Å; R167-H169 PolarHBondContact O-N 3.3Å; H169-K171 PolarHBondContact O-N 2.85Å
170T44.1Very low58.1Low97 Ų97124.1 Ų124.160%0.59564%0.644SS**  trans-73.4113.7155.148.10000104P168 M172P168-T170 HydrophobicContact CB-CG2 4.21Å; P168-T170 PolarHBondContact O-N 3.04Å; T170-M172 PolarHBondContact O-N 2.95Å
171K47.6Very low60.4Low187 Ų187120.4 Ų120.481%0.81363%0.625SS**  trans-62.166.2167.2-61.3174.8-178.7175.60108.1H169 S173H169-K171 PolarHBondContact O-N 2.85Å; K171-S173 PolarHBondContact O-N 2.89Å
172M45.7Very low63Low139 Ų139123 Ų12369%0.68563%0.631SS**  trans-63.5118.7160.7-165.670.57500103.1T170 H174T170-M172 PolarHBondContact O-N 2.95Å; M172-H174 PolarHBondContact O-N 2.56Å
173S49.4Very low65.3Low92 Ų92111.1 Ų111.164%0.64359%0.587SS**  trans-38.5119.9170.149.80000107.3K171 I175K171-S173 PolarHBondContact O-N 2.89Å; S173-I175 WeakPolarHBondContact O-CG1 3.32Å; S173-I175 PolarHBondContact O-N 3.02Å
174H60.9Low67.4Low125 Ų125109.6 Ų109.658%0.57958%0.583SS**  trans-59.389.8-171.7-155.5-94.2000107.9M172 K176 S187 D188M172-H174 PolarHBondContact O-N 2.56Å; H174-K176 PolarHBondContact O-N 3.41Å; H174-S187 PolarHBondContact CE1-O 3.25Å; H174-S187 VanDerWaalsContact CE1-O 3.22Å; H174-D188 IonicContact CE1-OD1 2.85Å
175I76Confident69.9Low142 Ų142110.7 Ų110.773%0.72858%0.576SS**  trans-68.597.5174.6-58.7169.7000103.1S173S173-I175 WeakPolarHBondContact O-CG1 3.32Å; S173-I175 PolarHBondContact O-N 3.02Å
176K87.8Confident72.1Confident70 Ų70104.3 Ų104.330%0.30455%0.549SS..  trans-62.7134.9177.7-73.3-176.6-175.9-177.30107.4H174 D188 C189 I190 D191H174-K176 PolarHBondContact O-N 3.41Å; K176-D188 CarbonylContact C-O 3.52Å; K176-D188 WeakPolarHBondContact CA-O 3.48Å; K176-C189 WeakPolarHBondContact CD-O 3.21Å; K176-I190 HydrophobicContact CB-CB 4.2Å; K176-I190 HydrophobicContact CB-CG2 3.46Å; K176-I190 VanDerWaalsContact CB-CG2 3.46Å; K176-I190 WeakPolarHBondContact O-CG2 3.28Å; K176-D191 IonicContact NZ-OD1 3.48Å; K176-D191 PolarHBondContact NZ-OD1 3.11Å; K176-D191 IonicContact NZ-OD2 3.94Å; K176-D191 PolarHBondContact NZ-OD2 3.41Å
177G88.5Confident74.6Confident10 Ų10105.3 Ų105.310%0.10355%0.548CS..BIsolated β-bridgetrans-71.1142.5-17900000112.7D181 D188 C189 I190G177-D181 VanDerWaalsContact CA-OD2 3.27Å; G177-D181 WeakPolarHBondContact CA-OD2 3.36Å; G177-D188 PolarHBondContact N-O 3.5Å; G177-C189 WeakPolarHBondContact O-CA 3.4Å; G177-I190 PolarHBondContact O-N 3.44Å
178H91.4Very high76.5Confident114 Ų11497.7 Ų97.753%0.52852%0.522SS..  trans-87.8-179174.8-75.7-97.4000111.3G180 D181 C204H178-G180 PolarHBondContact O-N 2.68Å; H178-D181 PolarHBondContact N-OD2 2.03Å; H178-D181 WeakPolarHBondContact O-CB 3.28Å; H178-D181 PolarHBondContact O-N 3.18Å; H178-C204 VanDerWaalsContact O-CB 3.24Å; H178-C204 WeakPolarHBondContact O-CB 3.26Å
179E93.1Very high79.1Confident136 Ų13692.8 Ų92.864%0.63649%0.49SS*.THydrogen-bonded Turntrans-52.5127.5178.5-165.1168.1-18000112.3D181 F193E179-D181 VanDerWaalsContact C-N 3.3Å; E179-D181 PolarHBondContact O-N 3.13Å; E179-F193 HydrophobicContact CB-CD1 4.48Å; E179-F193 HydrophobicContact CB-CE1 3.57Å; E179-F193 HydrophobicContact CB-CZ 4.22Å; E179-F193 HydrophobicContact CG-CE1 3.99Å
180G91.8Very high81.1Confident41 Ų4189 Ų8942%0.42347%0.474SS..THydrogen-bonded Turntrans88-12.9179.600000115H178 I203 C204H178-G180 PolarHBondContact O-N 2.68Å; G180-I203 WeakPolarHBondContact O-CG2 3.45Å; G180-C204 PolarHBondContact N-O 3.07Å
181D94Very high83.4Confident67 Ų6790.8 Ų90.836%0.35848%0.48SS..  trans-67.6142-179.8-75.4-19.7000111.9G177 H178 E179 C183 I203 C204G177-D181 VanDerWaalsContact CA-OD2 3.27Å; G177-D181 WeakPolarHBondContact CA-OD2 3.36Å; H178-D181 PolarHBondContact N-OD2 2.03Å; H178-D181 WeakPolarHBondContact O-CB 3.28Å; H178-D181 PolarHBondContact O-N 3.18Å; E179-D181 VanDerWaalsContact C-N 3.3Å; E179-D181 PolarHBondContact O-N 3.13Å; D181-C183 PolarHBondContact O-N 3.32Å; D181-I203 CarbonylContact O-C 3.47Å; D181-I203 WeakPolarHBondContact O-CA 3.33Å; D181-C204 PolarHBondContact O-N 2.94Å
182P92.3Very high85.4Confident116 Ų11683.9 Ų83.975%0.75346%0.461SS*.BIsolated β-bridgetrans-65.7134.4178.927.7-33.9000110.9K202P182-K202 WeakPolarHBondContact CA-O 3.49Å
183C93.4Very high87.8Confident8 Ų879.5 Ų79.55%0.05444%0.438CS..  trans-134.9153.1-177.565.20000112D181 D188 C195 K202 I203D181-C183 PolarHBondContact O-N 3.32Å; C183-D188 HydrophobicContact CB-CB 4.28Å; C183-C195 HydrophobicContact CB-CB 3.81Å; C183-C195 WeakPolarHBondContact CB-SG 3.48Å; C183-C195 PolarHBondContact O-SG 3.48Å; C183-C195 WeakPolarHBondContact SG-CA 3.31Å; C183-C195 WeakPolarHBondContact SG-CB 3.05Å; C183-C195 CovalentContact SG-SG 2.03Å; C183-C195 PolarHBondContact SG-SG 3.06Å; C183-K202 PolarHBondContact N-O 2.93Å; C183-K202 VanDerWaalsContact O-CB 3.25Å; C183-K202 WeakPolarHBondContact O-CB 3.03Å; C183-I203 VanDerWaalsContact SG-CA 3.58Å; C183-I203 PolarHBondContact SG-N 3.49Å; C183-I203 PolarHBondContact SG-O 3.09Å; C183-I203 VanDerWaalsContact SG-O 3.4Å
184L92Very high89.9Confident133 Ų13376 Ų7670%0.69641%0.413SS*.SBendtrans-105.2-36.1169.8-65.4175000110.9D188L184-D188 PolarHBondContact N-OD2 3.06Å
185R92.3Very high91.5Very high171 Ų17170.9 Ų70.965%0.64539%0.392SS*.SBendtrans-135.8156.9-179-65-176.3174.279.51.1110.6S187 D188 C195R185-S187 WeakPolarHBondContact CB-OG 3.26Å; R185-S187 PolarHBondContact O-N 2.86Å; R185-D188 PolarHBondContact N-OD2 3.07Å; R185-D188 VanDerWaalsContact O-CB 3.23Å; R185-D188 WeakPolarHBondContact O-CB 3.03Å; R185-D188 VanDerWaalsContact O-CG 3.27Å; R185-D188 PolarHBondContact O-N 3.11Å; R185-C195 WeakPolarHBondContact O-CB 3.32Å
186S91.8Very high92.3Very high65 Ų6564.1 Ų64.146%0.45536%0.357SS..G310 helixtrans-65.1-19.2176.4-56.20000113.4D188 C189 C195S186-D188 PolarHBondContact O-N 3.28Å; S186-C189 PolarHBondContact O-N 3.04Å; S186-C195 PolarHBondContact OG-N 3.41Å; S186-C195 VanDerWaalsContact OG-N 3.15Å
187S91.4Very high92.5Very high72 Ų7264.5 Ų64.550%0.50336%0.357SS..G310 helixtrans-63.9-22.7170.751.10000113.3H174 R185H174-S187 PolarHBondContact CE1-O 3.25Å; H174-S187 VanDerWaalsContact CE1-O 3.22Å; R185-S187 WeakPolarHBondContact CB-OG 3.26Å; R185-S187 PolarHBondContact O-N 2.86Å
188D92.3Very high92.5Very high42 Ų4267.2 Ų67.223%0.22537%0.366CS..G310 helixtrans-78.3-15.4-178.9-48.1-17.9000111H174 K176 G177 C183 L184 R185 S186H174-D188 IonicContact CE1-OD1 2.85Å; K176-D188 CarbonylContact C-O 3.52Å; K176-D188 WeakPolarHBondContact CA-O 3.48Å; G177-D188 PolarHBondContact N-O 3.5Å; C183-D188 HydrophobicContact CB-CB 4.28Å; L184-D188 PolarHBondContact N-OD2 3.06Å; R185-D188 PolarHBondContact N-OD2 3.07Å; R185-D188 VanDerWaalsContact O-CB 3.23Å; R185-D188 WeakPolarHBondContact O-CB 3.03Å; R185-D188 VanDerWaalsContact O-CG 3.27Å; R185-D188 PolarHBondContact O-N 3.11Å; S186-D188 PolarHBondContact O-N 3.28Å
189C93.4Very high92.3Very high3 Ų366.6 Ų66.62%0.0236%0.363CS..BIsolated β-bridgetrans-97155.6-179.4-54.50000111.9K176 G177 S186 F193 C204K176-C189 WeakPolarHBondContact CD-O 3.21Å; G177-C189 WeakPolarHBondContact O-CA 3.4Å; S186-C189 PolarHBondContact O-N 3.04Å; C189-F193 HydrophobicContact CB-CB 3.71Å; C189-C204 WeakPolarHBondContact CA-SG 3.38Å; C189-C204 HydrophobicContact CB-CB 3.77Å; C189-C204 WeakPolarHBondContact CB-SG 3.41Å; C189-C204 WeakPolarHBondContact SG-CA 3.32Å; C189-C204 WeakPolarHBondContact SG-CB 3.17Å; C189-C204 CovalentContact SG-SG 2.04Å; C189-C204 PolarHBondContact SG-SG 3.48Å
190I94.1Very high91.9Very high40 Ų4070.7 Ų70.721%0.20537%0.372CS..PPolyproline II helixtrans-62.3162.3174.260.1174.7000111.4K176 G177 G192 F193K176-I190 HydrophobicContact CB-CB 4.2Å; K176-I190 HydrophobicContact CB-CG2 3.46Å; K176-I190 VanDerWaalsContact CB-CG2 3.46Å; K176-I190 WeakPolarHBondContact O-CG2 3.28Å; G177-I190 PolarHBondContact O-N 3.44Å; I190-G192 PolarHBondContact O-N 3.49Å; I190-F193 HydrophobicContact CD1-CD2 3.67Å; I190-F193 HydrophobicContact CD1-CE2 3.53Å; I190-F193 HydrophobicContact CD1-CG 4.45Å; I190-F193 HydrophobicContact CD1-CZ 4.26Å; I190-F193 HydrophobicContact CG1-CB 4.25Å; I190-F193 HydrophobicContact CG1-CD2 3.3Å; I190-F193 HydrophobicContact CG1-CE2 3.76Å; I190-F193 HydrophobicContact CG1-CG 3.84Å; I190-F193 WeakPolarHBondContact O-CB 3.36Å; I190-F193 PolarHBondContact O-N 3.47Å
191D91.4Very high91.8Very high134 Ų13472.8 Ų72.872%0.71738%0.377SS*.THydrogen-bonded Turntrans-61.5137.1177.2-59.4-51.5000110.1K176K176-D191 IonicContact NZ-OD1 3.48Å; K176-D191 PolarHBondContact NZ-OD1 3.11Å; K176-D191 IonicContact NZ-OD2 3.94Å; K176-D191 PolarHBondContact NZ-OD2 3.41Å
192G91.1Very high91.8Very high41 Ų4174.9 Ų74.942%0.42338%0.383SS..THydrogen-bonded Turntrans85.35.3-170.800000114.5I190 V207I190-G192 PolarHBondContact O-N 3.49Å; G192-V207 VanDerWaalsContact O-CG2 3.3Å; G192-V207 WeakPolarHBondContact O-CG2 3.08Å; G192-V207 PolarHBondContact O-N 2.58Å
193F94.7Very high91.9Very high47 Ų4770.6 Ų70.621%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-122155.2174.8-72.2-109.5000111.5E179 C189 I190 C204 K205 P206E179-F193 HydrophobicContact CB-CD1 4.48Å; E179-F193 HydrophobicContact CB-CE1 3.57Å; E179-F193 HydrophobicContact CB-CZ 4.22Å; E179-F193 HydrophobicContact CG-CE1 3.99Å; C189-F193 HydrophobicContact CB-CB 3.71Å; I190-F193 HydrophobicContact CD1-CD2 3.67Å; I190-F193 HydrophobicContact CD1-CE2 3.53Å; I190-F193 HydrophobicContact CD1-CG 4.45Å; I190-F193 HydrophobicContact CD1-CZ 4.26Å; I190-F193 HydrophobicContact CG1-CB 4.25Å; I190-F193 HydrophobicContact CG1-CD2 3.3Å; I190-F193 HydrophobicContact CG1-CE2 3.76Å; I190-F193 HydrophobicContact CG1-CG 3.84Å; I190-F193 WeakPolarHBondContact O-CB 3.36Å; I190-F193 PolarHBondContact O-N 3.47Å; F193-C204 HydrophobicContact CD1-CB 4.48Å; F193-K205 CarbonylContact C-O 3.58Å; F193-K205 WeakPolarHBondContact CA-O 3.38Å; F193-K205 WeakPolarHBondContact CB-O 3.47Å; F193-K205 WeakPolarHBondContact CD1-O 3.06Å; F193-P206 HydrophobicContact CE1-CB 4.14Å; F193-P206 HydrophobicContact CZ-CB 4.39Å
194C94.4Very high92Very high18 Ų1870.3 Ų70.312%0.12235%0.351CS..EExtended strand (participates in β ladder)trans-128.2155.1172.999.10000111A196 C204 K205 V207 C231C194-A196 PolarHBondContact O-N 3.02Å; C194-C204 WeakPolarHBondContact O-CA 3.4Å; C194-K205 PolarHBondContact N-O 2.98Å; C194-K205 PolarHBondContact O-N 2.86Å; C194-V207 HydrophobicContact CB-CG1 4.36Å; C194-C231 HydrophobicContact CB-CB 3.85Å; C194-C231 WeakPolarHBondContact CB-SG 3.18Å; C194-C231 WeakPolarHBondContact SG-CA 3.08Å; C194-C231 WeakPolarHBondContact SG-CB 3.44Å; C194-C231 CovalentContact SG-SG 2.02Å; C194-C231 PolarHBondContact SG-SG 3.45Å
195C94.1Very high92.1Very high18 Ų1865.5 Ų65.512%0.12233%0.325CS..EExtended strand (participates in β ladder)trans-86.1105.4175.1-174.20000110.4C183 R185 S186C183-C195 HydrophobicContact CB-CB 3.81Å; C183-C195 WeakPolarHBondContact CB-SG 3.48Å; C183-C195 PolarHBondContact O-SG 3.48Å; C183-C195 WeakPolarHBondContact SG-CA 3.31Å; C183-C195 WeakPolarHBondContact SG-CB 3.05Å; C183-C195 CovalentContact SG-SG 2.03Å; C183-C195 PolarHBondContact SG-SG 3.06Å; R185-C195 WeakPolarHBondContact O-CB 3.32Å; S186-C195 PolarHBondContact OG-N 3.41Å; S186-C195 VanDerWaalsContact OG-N 3.15Å
196A93.2Very high92.2Very high0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-126.2150.6-176.100000111.9C194 H198 I203 K205 Q229C194-A196 PolarHBondContact O-N 3.02Å; A196-H198 PolarHBondContact O-N 2.83Å; A196-I203 PolarHBondContact N-O 3.08Å; A196-I203 PolarHBondContact O-N 2.89Å; A196-I203 VanDerWaalsContact O-O 3.12Å; A196-K205 HydrophobicContact CB-CD 3.92Å; A196-K205 HydrophobicContact CB-CG 4.31Å; A196-Q229 HydrophobicContact CB-CB 4.48Å
197R90.9Very high92.3Very high78 Ų7858 Ų5829%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-68.8130.6179.8-165.2175.4-174.7170.94.1111.2F199 T201 K205 Q229R197-F199 WeakPolarHBondContact CG-O 2.99Å; R197-F199 PolarHBondContact NE-O 3.38Å; R197-T201 WeakPolarHBondContact CA-O 3.32Å; R197-K205 PolarHBondContact O-NZ 2.04Å; R197-Q229 HydrophobicContact CB-CB 4.01Å; R197-Q229 PolarHBondContact O-N 3.48Å
198H89.4Confident92.5Very high67 Ų6755.4 Ų55.431%0.3128%0.276SS..EExtended strand (participates in β ladder)trans-131112.7168.5-164.768.6000107.8A196 W200 T201 I203 F228A196-H198 PolarHBondContact O-N 2.83Å; H198-W200 PolarHBondContact O-N 3.23Å; H198-T201 CarbonylContact C-O 3.57Å; H198-T201 PolarHBondContact N-O 2.04Å; H198-T201 PolarHBondContact O-N 3.15Å; H198-T201 VanDerWaalsContact O-N 3.13Å; H198-T201 PolarHBondContact O-OG1 2.72Å; H198-T201 VanDerWaalsContact O-OG1 3.1Å; H198-I203 HydrophobicContact CB-CD1 3.42Å; H198-I203 VanDerWaalsContact CB-CD1 3.42Å; H198-I203 HydrophobicContact CB-CG1 3.63Å; H198-F228 AromaticContact ND1-CD1 3.88Å
199F87Confident92.6Very high102 Ų10258.3 Ų58.345%0.44729%0.289SS..THydrogen-bonded Turntrans56.9-128.8-171.1-62.4-77.6000112.2R197 T201 I227 F228R197-F199 WeakPolarHBondContact CG-O 2.99Å; R197-F199 PolarHBondContact NE-O 3.38Å; F199-T201 VanDerWaalsContact C-N 3.28Å; F199-I227 HydrophobicContact CB-CG2 4.41Å; F199-I227 HydrophobicContact CD1-CG2 4.11Å; F199-I227 PolarHBondContact N-O 3.4Å; F199-F228 AromaticContact CD1-CE1 3.94Å; F199-F228 HydrophobicContact CD1-CE1 3.94Å; F199-F228 HydrophobicContact CD1-CZ 4.06Å; F199-F228 HydrophobicContact CD2-CE1 4.12Å; F199-F228 AromaticContact CE1-CE1 3.58Å; F199-F228 HydrophobicContact CE1-CE1 3.58Å; F199-F228 AromaticContact CE1-CZ 3.47Å; F199-F228 HydrophobicContact CE1-CZ 3.47Å; F199-F228 VanDerWaalsContact CE1-CZ 3.47Å; F199-F228 AromaticContact CE2-CE1 3.77Å; F199-F228 HydrophobicContact CE2-CE1 3.77Å; F199-F228 HydrophobicContact CE2-CZ 4.42Å; F199-F228 HydrophobicContact CG-CE1 4.2Å; F199-F228 AromaticContact CZ-CE1 3.49Å; F199-F228 HydrophobicContact CZ-CE1 3.49Å; F199-F228 VanDerWaalsContact CZ-CE1 3.49Å; F199-F228 AromaticContact CZ-CZ 3.69Å; F199-F228 HydrophobicContact CZ-CZ 3.69Å
200W85.8Confident92.6Very high222 Ų22263.4 Ų63.484%0.84131%0.312SS*.THydrogen-bonded Turntrans-85.5-0.7-178.4-48.796.3000112.7H198H198-W200 PolarHBondContact O-N 3.23Å
201T89Confident92.4Very high85 Ų8563.9 Ų63.952%0.52133%0.326SS..EExtended strand (participates in β ladder)trans-125.1164.5-173.462.30000111.6R197 H198 F199R197-T201 WeakPolarHBondContact CA-O 3.32Å; H198-T201 CarbonylContact C-O 3.57Å; H198-T201 PolarHBondContact N-O 2.04Å; H198-T201 PolarHBondContact O-N 3.15Å; H198-T201 VanDerWaalsContact O-N 3.13Å; H198-T201 PolarHBondContact O-OG1 2.72Å; H198-T201 VanDerWaalsContact O-OG1 3.1Å; F199-T201 VanDerWaalsContact C-N 3.28Å
202K93.3Very high92.5Very high110 Ų11061.5 Ų61.548%0.47831%0.311SS..EExtended strand (participates in β ladder)trans-109.1130.8170.7-73.4-174.6178-1750108.8P182 C183P182-K202 WeakPolarHBondContact CA-O 3.49Å; C183-K202 PolarHBondContact N-O 2.93Å; C183-K202 VanDerWaalsContact O-CB 3.25Å; C183-K202 WeakPolarHBondContact O-CB 3.03Å
203I94.1Very high92.5Very high27 Ų2762 Ų6214%0.13831%0.306CS..EExtended strand (participates in β ladder)trans-133.1156.1-178.163.3173.4000110.7G180 D181 C183 A196 H198 K205G180-I203 WeakPolarHBondContact O-CG2 3.45Å; D181-I203 CarbonylContact O-C 3.47Å; D181-I203 WeakPolarHBondContact O-CA 3.33Å; C183-I203 VanDerWaalsContact SG-CA 3.58Å; C183-I203 PolarHBondContact SG-N 3.49Å; C183-I203 PolarHBondContact SG-O 3.09Å; C183-I203 VanDerWaalsContact SG-O 3.4Å; A196-I203 PolarHBondContact N-O 3.08Å; A196-I203 PolarHBondContact O-N 2.89Å; A196-I203 VanDerWaalsContact O-O 3.12Å; H198-I203 HydrophobicContact CB-CD1 3.42Å; H198-I203 VanDerWaalsContact CB-CD1 3.42Å; H198-I203 HydrophobicContact CB-CG1 3.63Å; I203-K205 HydrophobicContact CD1-CG 4.3Å; I203-K205 HydrophobicContact CG1-CG 3.99Å; I203-K205 PolarHBondContact O-N 2.83Å
204C95.4Very high92.3Very high1 Ų160.1 Ų60.11%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-69.9122.7170.6-67.30000110H178 G180 D181 C189 F193 C194H178-C204 VanDerWaalsContact O-CB 3.24Å; H178-C204 WeakPolarHBondContact O-CB 3.26Å; G180-C204 PolarHBondContact N-O 3.07Å; D181-C204 PolarHBondContact O-N 2.94Å; C189-C204 WeakPolarHBondContact CA-SG 3.38Å; C189-C204 HydrophobicContact CB-CB 3.77Å; C189-C204 WeakPolarHBondContact CB-SG 3.41Å; C189-C204 WeakPolarHBondContact SG-CA 3.32Å; C189-C204 WeakPolarHBondContact SG-CB 3.17Å; C189-C204 CovalentContact SG-SG 2.04Å; C189-C204 PolarHBondContact SG-SG 3.48Å; F193-C204 HydrophobicContact CD1-CB 4.48Å; C194-C204 WeakPolarHBondContact O-CA 3.4Å
205K95Very high92Very high33 Ų3361.4 Ų61.414%0.14331%0.306CS..EExtended strand (participates in β ladder)trans-124.1152.8176.8-62.4-170.2-166.3172.90110.4F193 C194 A196 R197 I203 Q229 C231F193-K205 CarbonylContact C-O 3.58Å; F193-K205 WeakPolarHBondContact CA-O 3.38Å; F193-K205 WeakPolarHBondContact CB-O 3.47Å; F193-K205 WeakPolarHBondContact CD1-O 3.06Å; C194-K205 PolarHBondContact N-O 2.98Å; C194-K205 PolarHBondContact O-N 2.86Å; A196-K205 HydrophobicContact CB-CD 3.92Å; A196-K205 HydrophobicContact CB-CG 4.31Å; R197-K205 PolarHBondContact O-NZ 2.04Å; I203-K205 HydrophobicContact CD1-CG 4.3Å; I203-K205 HydrophobicContact CG1-CG 3.99Å; I203-K205 PolarHBondContact O-N 2.83Å; K205-Q229 PolarHBondContact NZ-O 3.07Å; K205-C231 PolarHBondContact O-SG 3.02Å
206P94.5Very high91.3Very high53 Ų5366 Ų6634%0.34432%0.324SS..EExtended strand (participates in β ladder)trans-63.8143.4177.125.5-33.9000111.5F193 C231F193-P206 HydrophobicContact CE1-CB 4.14Å; F193-P206 HydrophobicContact CZ-CB 4.39Å; P206-C231 WeakPolarHBondContact O-CB 3.03Å; P206-C231 PolarHBondContact O-SG 3.48Å
207V94.8Very high90.2Very high26 Ų2669 Ų6916%0.15834%0.338CS..PPolyproline II helixtrans-68.5150.5169-61.40000110.5G192 C194 H209 A234G192-V207 VanDerWaalsContact O-CG2 3.3Å; G192-V207 WeakPolarHBondContact O-CG2 3.08Å; G192-V207 PolarHBondContact O-N 2.58Å; C194-V207 HydrophobicContact CB-CG1 4.36Å; V207-H209 PolarHBondContact O-CE1 3.34Å; V207-H209 PolarHBondContact O-ND1 2.92Å; V207-A234 HydrophobicContact CG2-CB 3.98Å
208L94.4Very high88.9Confident16 Ų1673.9 Ų73.98%0.08436%0.356CS..BIsolated β-bridgetrans-81.2129.3-174.6-60.3175.3000112.1E212 V213 C214 R230 C231 D232 C233 A234 C256L208-E212 WeakPolarHBondContact CA-OE2 3.49Å; L208-E212 HydrophobicContact CB-CB 4.3Å; L208-E212 HydrophobicContact CD2-CB 4.23Å; L208-V213 WeakPolarHBondContact CD1-O 3.28Å; L208-C214 HydrophobicContact CD1-CB 3.67Å; L208-R230 HydrophobicContact CD1-CB 4.39Å; L208-C231 WeakPolarHBondContact CD1-O 3.48Å; L208-C231 WeakPolarHBondContact CG-O 3.44Å; L208-D232 PolarHBondContact N-O 3.09Å; L208-D232 VanDerWaalsContact N-O 3.09Å; L208-C233 CarbonylContact O-C 3.52Å; L208-C233 WeakPolarHBondContact O-CA 3.25Å; L208-A234 PolarHBondContact O-N 3.01Å; L208-C256 WeakPolarHBondContact CB-SG 3.23Å
209H94.3Very high87.7Confident104 Ų10480.3 Ų80.348%0.48138%0.383SS..PPolyproline II helixtrans-93.2173.1178.4-64.396.1000112.4V207 G211 E212 C256V207-H209 PolarHBondContact O-CE1 3.34Å; V207-H209 PolarHBondContact O-ND1 2.92Å; H209-G211 PolarHBondContact O-N 3.12Å; H209-E212 HydrophobicContact CB-CG 4.5Å; H209-E212 PolarHBondContact N-OE2 3.18Å; H209-E212 WeakPolarHBondContact O-CB 3.4Å; H209-E212 PolarHBondContact O-N 3.46Å; H209-C256 VanDerWaalsContact O-CB 3.3Å; H209-C256 WeakPolarHBondContact O-CB 3.4Å
210Q93.8Very high85.9Confident110 Ų11085.9 Ų85.951%0.51441%0.407SS..THydrogen-bonded Turntrans-54129.4-178.8177.975.637.700110.9E212 L237 C256Q210-E212 VanDerWaalsContact C-N 3.29Å; Q210-E212 PolarHBondContact O-N 2.8Å; Q210-L237 HydrophobicContact CB-CD1 4.38Å; Q210-L237 HydrophobicContact CB-CD2 4.26Å; Q210-L237 VanDerWaalsContact N-CD1 3.34Å; Q210-C256 WeakPolarHBondContact CA-O 3.3Å
211G90.1Very high84.7Confident49 Ų4978.5 Ų78.551%0.50540%0.4SS..THydrogen-bonded Turntrans86.2-12.5-179.600000114.7H209 C256H209-G211 PolarHBondContact O-N 3.12Å; G211-C256 PolarHBondContact N-O 3.24Å
212E92.7Very high83.2Confident85 Ų8577.1 Ų77.140%0.39739%0.394SS..  trans-76147.1177.6-62.8-170138.200112.2L208 H209 Q210 C214 V255 C256L208-E212 WeakPolarHBondContact CA-OE2 3.49Å; L208-E212 HydrophobicContact CB-CB 4.3Å; L208-E212 HydrophobicContact CD2-CB 4.23Å; H209-E212 HydrophobicContact CB-CG 4.5Å; H209-E212 PolarHBondContact N-OE2 3.18Å; H209-E212 WeakPolarHBondContact O-CB 3.4Å; H209-E212 PolarHBondContact O-N 3.46Å; Q210-E212 VanDerWaalsContact C-N 3.29Å; Q210-E212 PolarHBondContact O-N 2.8Å; E212-C214 PolarHBondContact O-N 2.05Å; E212-V255 CarbonylContact O-C 3.51Å; E212-V255 WeakPolarHBondContact O-CA 3.06Å; E212-C256 PolarHBondContact O-N 3.45Å
213V91.5Very high81.6Confident51 Ų5176.1 Ų76.131%0.30939%0.391SS..EExtended strand (participates in β ladder)trans-72.8120.2-177.81800000110.5L208 R230 L253 H254 V255L208-V213 WeakPolarHBondContact CD1-O 3.28Å; V213-R230 WeakPolarHBondContact O-CD 3.49Å; V213-R230 PolarHBondContact O-NH1 2.7Å; V213-L253 HydrophobicContact CG1-CD2 4.44Å; V213-H254 WeakPolarHBondContact CA-O 3.11Å; V213-V255 HydrophobicContact CG2-CG1 4.29Å
214C91Very high80.1Confident7 Ų777.5 Ų77.55%0.04741%0.411CS..EExtended strand (participates in β ladder)trans-106.4150.9176.759.50000111.1L208 E212 C239 H254 V255L208-C214 HydrophobicContact CD1-CB 3.67Å; E212-C214 PolarHBondContact O-N 2.05Å; C214-C239 HydrophobicContact CB-CB 3.87Å; C214-C239 WeakPolarHBondContact CB-SG 3.3Å; C214-C239 WeakPolarHBondContact SG-CA 3.45Å; C214-C239 WeakPolarHBondContact SG-CB 3.33Å; C214-C239 CovalentContact SG-SG 2.03Å; C214-C239 PolarHBondContact SG-SG 3.49Å; C214-H254 PolarHBondContact N-O 2.77Å; C214-H254 WeakPolarHBondContact O-CB 3.24Å; C214-V255 PolarHBondContact SG-N 3.18Å
215T86.7Confident78.7Confident46 Ų4684.7 Ų84.728%0.28245%0.449SS..  trans-98.6115.1169.649.40000108.7Q217T215-Q217 PolarHBondContact O-N 2.9Å
216K81.4Confident77.4Confident114 Ų11485.8 Ų85.850%0.49646%0.455SS..  trans-70.198.4173.1-174.7173.8-177.81720108.3R218K216-R218 PolarHBondContact O-N 2.82Å; K216-R218 VanDerWaalsContact O-N 3.13Å
217Q69Low76.6Confident64 Ų6486.8 Ų86.830%0.29946%0.456SS..PPolyproline II helixtrans-56.4118.8175.6-68.1-64.9-27.400109.3T215 E226T215-Q217 PolarHBondContact O-N 2.9Å; Q217-E226 PolarHBondContact NE2-OE2 3.23Å
218R64Low75.9Confident179 Ų17990.8 Ų90.868%0.67547%0.472SS*.PPolyproline II helixtrans-83.3163.4173-67-69.9-173.7164.92.7108.9K216K216-R218 PolarHBondContact O-N 2.82Å; K216-R218 VanDerWaalsContact O-N 3.13Å
219K63Low75.5Confident202 Ų20291.9 Ų91.988%0.87848%0.476SS*.SBendtrans-49.7144.7-176.4-76-176.3176.2-179.90112.1G221K219-G221 PolarHBondContact O-N 3.05Å
220K51.1Low75.3Confident219 Ų21992.4 Ų92.495%0.95247%0.474SS*.THydrogen-bonded Turntrans-25.897.2176-168.1172.9-178.6-1790113.1
221G58.9Low75.3Confident67 Ų6787.4 Ų87.469%0.69145%0.452SS*.THydrogen-bonded Turntrans170.6-37.8179.200000114.2K219K219-G221 PolarHBondContact O-N 3.05Å
222S58.2Low75.4Confident56 Ų5691 Ų9139%0.39246%0.459SS..SBendtrans-90.1-9.7179.367.30000114.8G224 L225S222-G224 VanDerWaalsContact C-N 3.29Å; S222-G224 PolarHBondContact O-N 3.47Å; S222-L225 PolarHBondContact O-N 3.33Å
223H60.1Low75.4Confident90 Ų9088.2 Ų88.242%0.41745%0.448SS..THydrogen-bonded Turntrans-66.7-27.2-171.1-165.2-98.8000113.6L225 Q229H223-L225 VanDerWaalsContact C-N 3.34Å; H223-L225 PolarHBondContact O-N 2.91Å; H223-Q229 PolarHBondContact CE1-OE1 3.47Å; H223-Q229 PolarHBondContact NE2-NE2 3.18Å; H223-Q229 PolarHBondContact NE2-OE1 2.91Å
224G62.6Low75.5Confident55 Ų5586.7 Ų86.757%0.56744%0.442SS*.THydrogen-bonded Turntrans-73.2-22.1-177.900000114.9S222S222-G224 VanDerWaalsContact C-N 3.29Å; S222-G224 PolarHBondContact O-N 3.47Å
225L65.6Low75.6Confident152 Ų15296.6 Ų96.680%0.79648%0.484SS*.THydrogen-bonded Turntrans-96.3-16.2-175.9-59.3176.4000112.8S222 H223 I227S222-L225 PolarHBondContact O-N 3.33Å; H223-L225 VanDerWaalsContact C-N 3.34Å; H223-L225 PolarHBondContact O-N 2.91Å; L225-I227 PolarHBondContact O-N 3.39Å; L225-I227 VanDerWaalsContact O-N 3.1Å
226E68.3Low75.8Confident57 Ų5796.6 Ų96.627%0.26649%0.493SS..  trans-83.192.2-178.2-157.8174.1-169.500109.9Q217 F228Q217-E226 PolarHBondContact NE2-OE2 3.23Å; E226-F228 PolarHBondContact O-N 3.37Å
227I77.6Confident76.4Confident73 Ų7392.6 Ų92.637%0.37448%0.476SS..SBendtrans-67.1-23.1-179.7-58.9177.3000111.6F199 L225F199-I227 HydrophobicContact CB-CG2 4.41Å; F199-I227 HydrophobicContact CD1-CG2 4.11Å; F199-I227 PolarHBondContact N-O 3.4Å; L225-I227 PolarHBondContact O-N 3.39Å; L225-I227 VanDerWaalsContact O-N 3.1Å
228F80.3Confident77.6Confident110 Ų11091 Ų9148%0.48247%0.473SS..BIsolated β-bridgetrans-116.365.4-179.8-56.2-64.1000111.5H198 F199 E226 R230H198-F228 AromaticContact ND1-CD1 3.88Å; F199-F228 AromaticContact CD1-CE1 3.94Å; F199-F228 HydrophobicContact CD1-CE1 3.94Å; F199-F228 HydrophobicContact CD1-CZ 4.06Å; F199-F228 HydrophobicContact CD2-CE1 4.12Å; F199-F228 AromaticContact CE1-CE1 3.58Å; F199-F228 HydrophobicContact CE1-CE1 3.58Å; F199-F228 AromaticContact CE1-CZ 3.47Å; F199-F228 HydrophobicContact CE1-CZ 3.47Å; F199-F228 VanDerWaalsContact CE1-CZ 3.47Å; F199-F228 AromaticContact CE2-CE1 3.77Å; F199-F228 HydrophobicContact CE2-CE1 3.77Å; F199-F228 HydrophobicContact CE2-CZ 4.42Å; F199-F228 HydrophobicContact CG-CE1 4.2Å; F199-F228 AromaticContact CZ-CE1 3.49Å; F199-F228 HydrophobicContact CZ-CE1 3.49Å; F199-F228 VanDerWaalsContact CZ-CE1 3.49Å; F199-F228 AromaticContact CZ-CZ 3.69Å; F199-F228 HydrophobicContact CZ-CZ 3.69Å; E226-F228 PolarHBondContact O-N 3.37Å; F228-R230 PolarHBondContact O-N 3.26Å
229Q86.1Confident78.9Confident39 Ų3984.4 Ų84.418%0.18245%0.453CS..PPolyproline II helixtrans-65131.2176.4-166.6-173.4-900110.3A196 R197 K205 H223A196-Q229 HydrophobicContact CB-CB 4.48Å; R197-Q229 HydrophobicContact CB-CB 4.01Å; R197-Q229 PolarHBondContact O-N 3.48Å; K205-Q229 PolarHBondContact NZ-O 3.07Å; H223-Q229 PolarHBondContact CE1-OE1 3.47Å; H223-Q229 PolarHBondContact NE2-NE2 3.18Å; H223-Q229 PolarHBondContact NE2-OE1 2.91Å
230R90.4Very high80.2Confident115 Ų11578.3 Ų78.343%0.43443%0.427SS..PPolyproline II helixtrans-87.2158.8171.4-63-176.2179.7-115.4-10.2110.7L208 V213 F228L208-R230 HydrophobicContact CD1-CB 4.39Å; V213-R230 WeakPolarHBondContact O-CD 3.49Å; V213-R230 PolarHBondContact O-NH1 2.7Å; F228-R230 PolarHBondContact O-N 3.26Å
231C92.7Very high82Confident6 Ų669.7 Ų69.74%0.04139%0.393CS..PPolyproline II helixtrans-71.9160.3167.3-72.60000111.5C194 K205 P206 L208C194-C231 HydrophobicContact CB-CB 3.85Å; C194-C231 WeakPolarHBondContact CB-SG 3.18Å; C194-C231 WeakPolarHBondContact SG-CA 3.08Å; C194-C231 WeakPolarHBondContact SG-CB 3.44Å; C194-C231 CovalentContact SG-SG 2.02Å; C194-C231 PolarHBondContact SG-SG 3.45Å; K205-C231 PolarHBondContact O-SG 3.02Å; P206-C231 WeakPolarHBondContact O-CB 3.03Å; P206-C231 PolarHBondContact O-SG 3.48Å; L208-C231 WeakPolarHBondContact CD1-O 3.48Å; L208-C231 WeakPolarHBondContact CG-O 3.44Å
232D92.1Very high83.3Confident125 Ų12571.2 Ų71.267%0.66838%0.378SS*.PPolyproline II helixtrans-68.6163.4169.8-63.8-46.8000110.8L208L208-D232 PolarHBondContact N-O 3.09Å; L208-D232 VanDerWaalsContact N-O 3.09Å
233C93.9Very high84.1Confident25 Ų2576.4 Ų76.417%0.16939%0.393CS..BIsolated β-bridgetrans-63.3148.4172-56.90000111L208 L237 C256L208-C233 CarbonylContact O-C 3.52Å; L208-C233 WeakPolarHBondContact O-CA 3.25Å; C233-L237 HydrophobicContact CB-CB 3.7Å; C233-C256 VanDerWaalsContact CA-SG 3.56Å; C233-C256 HydrophobicContact CB-CB 3.77Å; C233-C256 WeakPolarHBondContact CB-SG 3.5Å; C233-C256 VanDerWaalsContact SG-CA 3.53Å; C233-C256 WeakPolarHBondContact SG-CB 3.4Å; C233-C256 CovalentContact SG-SG 2.04Å; C233-C256 PolarHBondContact SG-SG 3.3Å
234A93Very high84.3Confident20 Ų2078.8 Ų78.817%0.16541%0.409CS..PPolyproline II helixtrans-57.2160175.200000111.9V207 L208 G236 L237V207-A234 HydrophobicContact CG2-CB 3.98Å; L208-A234 PolarHBondContact O-N 3.01Å; A234-G236 PolarHBondContact O-N 3.47Å; A234-L237 HydrophobicContact CB-CD1 3.99Å; A234-L237 WeakPolarHBondContact O-CB 3.48Å; A234-L237 PolarHBondContact O-N 2.98Å
235K92.1Very high84.1Confident215 Ų21577.6 Ų77.694%0.93539%0.393SS*.THydrogen-bonded Turntrans-54131.8177.9-64.5179.6-177.7177.70110.2
236G92.3Very high83.8Confident45 Ų4573.1 Ų73.146%0.46437%0.372SS..THydrogen-bonded Turntrans86.90.6-17700000115A234 I259A234-G236 PolarHBondContact O-N 3.47Å; G236-I259 WeakPolarHBondContact O-CG1 3.39Å; G236-I259 PolarHBondContact O-N 2.95Å; G236-I259 VanDerWaalsContact O-N 3.07Å
237L94.1Very high83.2Confident30 Ų3081.7 Ų81.716%0.15740%0.404CS..EExtended strand (participates in β ladder)trans-114152.8174-55.9179000110.9Q210 C233 A234 C256 Q257 K258Q210-L237 HydrophobicContact CB-CD1 4.38Å; Q210-L237 HydrophobicContact CB-CD2 4.26Å; Q210-L237 VanDerWaalsContact N-CD1 3.34Å; C233-L237 HydrophobicContact CB-CB 3.7Å; A234-L237 HydrophobicContact CB-CD1 3.99Å; A234-L237 WeakPolarHBondContact O-CB 3.48Å; A234-L237 PolarHBondContact O-N 2.98Å; L237-C256 HydrophobicContact CB-CB 4.3Å; L237-C256 HydrophobicContact CD1-CB 4.11Å; L237-Q257 CarbonylContact C-O 3.52Å; L237-Q257 WeakPolarHBondContact CA-O 3.25Å; L237-K258 HydrophobicContact CD2-CB 4.43Å
238S92.6Very high82.3Confident32 Ų3283.9 Ų83.922%0.22443%0.426CS..EExtended strand (participates in β ladder)trans-134.2147.2174.756.50000111K240 Q257S238-K240 PolarHBondContact O-N 3.32Å; S238-K240 WeakPolarHBondContact OG-CE 3.44Å; S238-Q257 PolarHBondContact N-O 3.39Å; S238-Q257 PolarHBondContact O-N 3.46Å; S238-Q257 PolarHBondContact OG-O 3.41Å
239C91.9Very high81.1Confident39 Ų3981.4 Ų81.426%0.26442%0.422SS..EExtended strand (participates in β ladder)trans-77.792.2-179.5-1720000110.5C214 H254C214-C239 HydrophobicContact CB-CB 3.87Å; C214-C239 WeakPolarHBondContact CB-SG 3.3Å; C214-C239 WeakPolarHBondContact SG-CA 3.45Å; C214-C239 WeakPolarHBondContact SG-CB 3.33Å; C214-C239 CovalentContact SG-SG 2.03Å; C214-C239 PolarHBondContact SG-SG 3.49Å; C239-H254 VanDerWaalsContact SG-CB 3.5Å
240K90.9Very high79.7Confident75 Ų7590.3 Ų90.333%0.32646%0.46SS..EExtended strand (participates in β ladder)trans-102.9155.3-177.9-67.6-177.7-178.8158.90110S238 W242 H254 V255 Q257 K258 I259S238-K240 PolarHBondContact O-N 3.32Å; S238-K240 WeakPolarHBondContact OG-CE 3.44Å; K240-W242 PolarHBondContact O-N 3.28Å; K240-H254 CarbonylContact O-C 3.5Å; K240-H254 VanDerWaalsContact O-CA 3.25Å; K240-H254 WeakPolarHBondContact O-CA 3.06Å; K240-V255 PolarHBondContact N-O 2.9Å; K240-V255 PolarHBondContact O-N 3.02Å; K240-Q257 HydrophobicContact CB-CB 4.24Å; K240-Q257 HydrophobicContact CB-CG 4.19Å; K240-Q257 HydrophobicContact CD-CB 4Å; K240-Q257 HydrophobicContact CG-CB 4.36Å; K240-K258 PolarHBondContact NZ-O 3.26Å; K240-I259 PolarHBondContact NZ-OXT 3.04Å
241V89.2Confident78.2Confident38 Ų3887.9 Ų87.923%0.2347%0.465CS..EExtended strand (participates in β ladder)trans-65.5132.3174.9177.10000108.5K243 R252 H254V241-K243 PolarHBondContact O-N 2.81Å; V241-K243 VanDerWaalsContact O-N 3.08Å; V241-R252 HydrophobicContact CG1-CB 4.46Å; V241-H254 WeakPolarHBondContact CG2-CE1 3.44Å
242W85.3Confident77.4Confident99 Ų9996.1 Ų96.138%0.37550%0.495SS..  trans-76.397.2-179.9-17629000111.4K240 D244 A245 T246 L253 V255K240-W242 PolarHBondContact O-N 3.28Å; W242-D244 PolarHBondContact O-N 3.35Å; W242-A245 HydrophobicContact CD2-CB 3.82Å; W242-A245 HydrophobicContact CE3-CB 3.42Å; W242-A245 VanDerWaalsContact CE3-CB 3.42Å; W242-A245 HydrophobicContact CH2-CB 3.54Å; W242-A245 HydrophobicContact CZ2-CB 3.91Å; W242-A245 HydrophobicContact CZ3-CB 3.27Å; W242-T246 PolarHBondContact O-OG1 2.05Å; W242-L253 PolarHBondContact N-O 3.19Å; W242-V255 HydrophobicContact CB-CB 4.36Å; W242-V255 HydrophobicContact CB-CG1 3.87Å; W242-V255 HydrophobicContact CB-CG2 3.63Å; W242-V255 HydrophobicContact CD2-CG1 4.41Å; W242-V255 HydrophobicContact CG-CG1 4.07Å; W242-V255 HydrophobicContact CG-CG2 3.91Å
243K75Confident77.1Confident165 Ų16594.1 Ų94.172%0.71748%0.484SS*.G310 helixtrans-66-34-173.3-68.2-178.2179-178.50113.9V241 A245 T246V241-K243 PolarHBondContact O-N 2.81Å; V241-K243 VanDerWaalsContact O-N 3.08Å; K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 3.4Å; K243-T246 WeakPolarHBondContact O-CB 3.1Å; K243-T246 PolarHBondContact O-N 3.36Å; K243-T246 VanDerWaalsContact O-N 3.08Å; K243-T246 PolarHBondContact O-OG1 2.95Å
244D64.8Low76.9Confident139 Ų13994.7 Ų94.774%0.74348%0.484SS*.G310 helixtrans-72.9-19.3-168.8-50.1-38.8000114.3W242W242-D244 PolarHBondContact O-N 3.35Å
245A58Low76.9Confident30 Ų3094 Ų9425%0.24848%0.478CS..G310 helixtrans-104.33.8172.100000114W242 K243 Y247 S249W242-A245 HydrophobicContact CD2-CB 3.82Å; W242-A245 HydrophobicContact CE3-CB 3.42Å; W242-A245 VanDerWaalsContact CE3-CB 3.42Å; W242-A245 HydrophobicContact CH2-CB 3.54Å; W242-A245 HydrophobicContact CZ2-CB 3.91Å; W242-A245 HydrophobicContact CZ3-CB 3.27Å; K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 3.4Å; A245-Y247 VanDerWaalsContact C-N 3.31Å; A245-Y247 PolarHBondContact O-N 3.31Å; A245-S249 PolarHBondContact O-OG 2.77Å
246T58.6Low77Confident58 Ų5883.8 Ų83.836%0.35643%0.433SS..THydrogen-bonded Turntrans-79.7-8.2-173.2-55.70000113.1W242 K243 S248W242-T246 PolarHBondContact O-OG1 2.05Å; K243-T246 WeakPolarHBondContact O-CB 3.1Å; K243-T246 PolarHBondContact O-N 3.36Å; K243-T246 VanDerWaalsContact O-N 3.08Å; K243-T246 PolarHBondContact O-OG1 2.95Å; T246-S248 VanDerWaalsContact C-N 3.26Å; T246-S248 PolarHBondContact O-N 2.63Å
247Y56.3Low77Confident237 Ų23783.9 Ų83.993%0.92942%0.422SS*.THydrogen-bonded Turntrans-74-14.7177.8-151.2-100.9000113.5A245A245-Y247 VanDerWaalsContact C-N 3.31Å; A245-Y247 PolarHBondContact O-N 3.31Å
248S58.4Low77Confident120 Ų12090.1 Ų90.184%0.83945%0.448SS*.THydrogen-bonded Turntrans-139-11.8-170.7-168.70000116.3T246T246-S248 VanDerWaalsContact C-N 3.26Å; T246-S248 PolarHBondContact O-N 2.63Å
249S55.8Low76.7Confident57 Ų5795.8 Ų95.840%0.39947%0.474SS..  trans-103.9129.3-173.558.90000114.4A245 A251A245-S249 PolarHBondContact O-OG 2.77Å; S249-A251 PolarHBondContact O-N 2.82Å; S249-A251 VanDerWaalsContact O-N 3.11Å
250K55.9Low75.9Confident227 Ų22798.7 Ų98.799%0.98748%0.484SS*.SBendtrans-66.9-5.9-178.5-145.1171.2-172.71750114.1
251A59.3Low75.1Confident63 Ų6399.9 Ų99.952%0.52149%0.493SS..SBendtrans-125.6114.7177.700000110S249 L253S249-A251 PolarHBondContact O-N 2.82Å; S249-A251 VanDerWaalsContact O-N 3.11Å; A251-L253 PolarHBondContact O-N 3.18Å
252R76.5Confident74.3Confident180 Ų180103.3 Ų103.368%0.67951%0.507SS*.  trans-71.990.8178.1-65.517268.41754.7109.6V241V241-R252 HydrophobicContact CG1-CB 4.46Å
253L85.4Confident73.7Confident83 Ų83103.6 Ų103.644%0.43552%0.515SS..  trans-68.9149.5175.9-69.3170.2000111.1V213 W242 A251V213-L253 HydrophobicContact CG1-CD2 4.44Å; W242-L253 PolarHBondContact N-O 3.19Å; A251-L253 PolarHBondContact O-N 3.18Å
254H90.6Very high73.6Confident36 Ų3699.8 Ų99.817%0.16750%0.502CS..EExtended strand (participates in β ladder)trans-110.5143173.1-65.7-92.6000110V213 C214 C239 K240 V241V213-H254 WeakPolarHBondContact CA-O 3.11Å; C214-H254 PolarHBondContact N-O 2.77Å; C214-H254 WeakPolarHBondContact O-CB 3.24Å; C239-H254 VanDerWaalsContact SG-CB 3.5Å; K240-H254 CarbonylContact O-C 3.5Å; K240-H254 VanDerWaalsContact O-CA 3.25Å; K240-H254 WeakPolarHBondContact O-CA 3.06Å; V241-H254 WeakPolarHBondContact CG2-CE1 3.44Å
255V92.8Very high74.2Confident6 Ų697.1 Ų97.14%0.03649%0.486CS..EExtended strand (participates in β ladder)trans-133.6152.5178.2-64.70000110.7E212 V213 C214 K240 W242 Q257E212-V255 CarbonylContact O-C 3.51Å; E212-V255 WeakPolarHBondContact O-CA 3.06Å; V213-V255 HydrophobicContact CG2-CG1 4.29Å; C214-V255 PolarHBondContact SG-N 3.18Å; K240-V255 PolarHBondContact N-O 2.9Å; K240-V255 PolarHBondContact O-N 3.02Å; W242-V255 HydrophobicContact CB-CB 4.36Å; W242-V255 HydrophobicContact CB-CG1 3.87Å; W242-V255 HydrophobicContact CB-CG2 3.63Å; W242-V255 HydrophobicContact CD2-CG1 4.41Å; W242-V255 HydrophobicContact CG-CG1 4.07Å; W242-V255 HydrophobicContact CG-CG2 3.91Å; V255-Q257 HydrophobicContact CG2-CG 3.88Å; V255-Q257 PolarHBondContact O-N 2.97Å
256C93.6Very high75.4Confident0 Ų0101.9 Ų101.90%050%0.503CS..EExtended strand (participates in β ladder)trans-72.1120.5174.8-65.20000110.1L208 H209 Q210 G211 E212 C233 L237L208-C256 WeakPolarHBondContact CB-SG 3.23Å; H209-C256 VanDerWaalsContact O-CB 3.3Å; H209-C256 WeakPolarHBondContact O-CB 3.4Å; Q210-C256 WeakPolarHBondContact CA-O 3.3Å; G211-C256 PolarHBondContact N-O 3.24Å; E212-C256 PolarHBondContact O-N 3.45Å; C233-C256 VanDerWaalsContact CA-SG 3.56Å; C233-C256 HydrophobicContact CB-CB 3.77Å; C233-C256 WeakPolarHBondContact CB-SG 3.5Å; C233-C256 VanDerWaalsContact SG-CA 3.53Å; C233-C256 WeakPolarHBondContact SG-CB 3.4Å; C233-C256 CovalentContact SG-SG 2.04Å; C233-C256 PolarHBondContact SG-SG 3.3Å; L237-C256 HydrophobicContact CB-CB 4.3Å; L237-C256 HydrophobicContact CD1-CB 4.11Å
257Q92.4Very high76.7Confident48 Ų48105.3 Ų105.322%0.22452%0.515CS..EExtended strand (participates in β ladder)trans-129.3144.5179.5-62.6-173.5-25.700110.4L237 S238 K240 V255 I259L237-Q257 CarbonylContact C-O 3.52Å; L237-Q257 WeakPolarHBondContact CA-O 3.25Å; S238-Q257 PolarHBondContact N-O 3.39Å; S238-Q257 PolarHBondContact O-N 3.46Å; S238-Q257 PolarHBondContact OG-O 3.41Å; K240-Q257 HydrophobicContact CB-CB 4.24Å; K240-Q257 HydrophobicContact CB-CG 4.19Å; K240-Q257 HydrophobicContact CD-CB 4Å; K240-Q257 HydrophobicContact CG-CB 4.36Å; V255-Q257 HydrophobicContact CG2-CG 3.88Å; V255-Q257 PolarHBondContact O-N 2.97Å; Q257-I259 PolarHBondContact O-N 2.97Å
258K92.8Very high78.4Confident161 Ų16194.3 Ų94.370%0.748%0.48SS*.EExtended strand (participates in β ladder)trans-46.4130.5172.9-161.4172.9-177.81790110.5L237 K240L237-K258 HydrophobicContact CD2-CB 4.43Å; K240-K258 PolarHBondContact NZ-O 3.26Å
259I86.9Confident80.2Confident151 Ų15192 Ų9277%0.77445%0.447SS*.  trans-57.30-179.3-66.7171.2000108.8G236 K240 Q257G236-I259 WeakPolarHBondContact O-CG1 3.39Å; G236-I259 PolarHBondContact O-N 2.95Å; G236-I259 VanDerWaalsContact O-N 3.07Å; K240-I259 PolarHBondContact NZ-OXT 3.04Å; Q257-I259 PolarHBondContact O-N 2.97Å

Retrieved 259 of 259 residues in 239.6 ms (Link to these results)