A0A061IQL5_CRIGR Loading...

Otolin-1

AlphaFold DB , UniProt , Accession A0A061IQL5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Otol1, Length 482 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
1M50.8Low53.1Low222 Ų222137 Ų137100%1.09467%0.666SS**  0-27.70-73.1169.373.400114.6I3M1-I3 PolarHBondContact O-N 3.14Å
2W50Low53.3Low234 Ų234134.8 Ų134.889%0.88666%0.657SS**Hα-helixtrans-66-33.2-174.7-89.910.7000117.2F4 S5W2-F4 VanDerWaalsContact C-N 3.3Å; W2-F4 PolarHBondContact O-N 3.08Å; W2-S5 WeakPolarHBondContact O-CB 3.03Å; W2-S5 PolarHBondContact O-N 3.29Å
3I54.1Low53.1Low138 Ų138131.2 Ų131.271%0.70865%0.647SS**Hα-helixtrans-60.5-37.4-174.9-65.5170.2000112.6M1 S5 W6 L7M1-I3 PolarHBondContact O-N 3.14Å; I3-S5 VanDerWaalsContact C-N 3.31Å; I3-S5 PolarHBondContact O-N 2.91Å; I3-W6 PolarHBondContact O-N 2.83Å; I3-L7 HydrophobicContact CG2-CD1 4.48Å; I3-L7 PolarHBondContact O-N 2.64Å
4F49.3Very low52.4Low159 Ų159128.7 Ų128.770%0.69764%0.637SS**Hα-helixtrans-65-31.7176.3-77.4-82.8000113.1W2 L7 C8W2-F4 VanDerWaalsContact C-N 3.3Å; W2-F4 PolarHBondContact O-N 3.08Å; F4-L7 PolarHBondContact O-N 3.49Å; F4-C8 PolarHBondContact O-N 3.18Å; F4-C8 PolarHBondContact O-SG 3.09Å; F4-C8 VanDerWaalsContact O-SG 3.33Å
5S58.8Low51.9Low73 Ų73124.5 Ų124.551%0.5163%0.631SS.*Hα-helixtrans-63.6-45178.8-173.40000111.6W2 I3 C8 V9W2-S5 WeakPolarHBondContact O-CB 3.03Å; W2-S5 PolarHBondContact O-N 3.29Å; I3-S5 VanDerWaalsContact C-N 3.31Å; I3-S5 PolarHBondContact O-N 2.91Å; S5-C8 PolarHBondContact O-N 2.8Å; S5-V9 WeakPolarHBondContact O-CG2 3.49Å; S5-V9 PolarHBondContact O-N 2.9Å
6W52.3Low51.5Low216 Ų216123.4 Ų123.482%0.81863%0.632SS**Hα-helixtrans-67.4-38.4177.5-114.113.8000112.5I3 V9 L10I3-W6 PolarHBondContact O-N 2.83Å; W6-V9 PolarHBondContact O-N 3.15Å; W6-L10 WeakPolarHBondContact O-CB 3.38Å; W6-L10 PolarHBondContact O-N 2.84Å
7L54.5Low50.8Low96 Ų96122.5 Ų122.550%0.50363%0.634SS.*Hα-helixtrans-61.5-41.9173.2-102.5154.7000112.4I3 F4 L10 L11I3-L7 HydrophobicContact CG2-CD1 4.48Å; I3-L7 PolarHBondContact O-N 2.64Å; F4-L7 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.38Å; L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.86Å
8C52.3Low50.1Low71 Ų71123.6 Ų123.648%0.4864%0.641SS.*Hα-helixtrans-62.8-43.5173.6-70.10000112.3F4 S5 L10 L11 I12F4-C8 PolarHBondContact O-N 3.18Å; F4-C8 PolarHBondContact O-SG 3.09Å; F4-C8 VanDerWaalsContact O-SG 3.33Å; S5-C8 PolarHBondContact O-N 2.8Å; C8-L10 PolarHBondContact O-N 3.5Å; C8-L11 PolarHBondContact O-N 3.44Å; C8-I12 WeakPolarHBondContact O-CB 3.18Å; C8-I12 WeakPolarHBondContact O-CD1 3.41Å; C8-I12 VanDerWaalsContact O-CG1 3.23Å; C8-I12 WeakPolarHBondContact O-CG1 3.18Å; C8-I12 PolarHBondContact O-N 2.75Å
9V56.7Low49.5Very low78 Ų78123.2 Ų123.247%0.47364%0.644SS.*Hα-helixtrans-62.8-42.4176.6172.80000111.4S5 W6 I12 V13S5-V9 WeakPolarHBondContact O-CG2 3.49Å; S5-V9 PolarHBondContact O-N 2.9Å; W6-V9 PolarHBondContact O-N 3.15Å; V9-I12 PolarHBondContact O-N 3.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 2.69Å
10L53.8Low48.8Very low111 Ų111124.1 Ų124.158%0.58165%0.65SS**Hα-helixtrans-67.3-39.1179.7-130.6158.7000112W6 L7 C8 V13 L14W6-L10 WeakPolarHBondContact O-CB 3.38Å; W6-L10 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.38Å; C8-L10 PolarHBondContact O-N 3.5Å; L10-V13 PolarHBondContact O-N 3.04Å; L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CD2-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.38Å
11L52Low48.3Very low109 Ų109122.3 Ų122.357%0.57165%0.653SS**Hα-helixtrans-66.5-37.8173.1-74.1167.7000112.6L7 C8 L14 A15L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.86Å; C8-L11 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.12Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.5Å
12I55.2Low47.6Very low111 Ų111117.9 Ų117.957%0.56964%0.638SS**Hα-helixtrans-66.2-41.5174.7-70.8163.8000110.9C8 V9 L14 A15 V16C8-I12 WeakPolarHBondContact O-CB 3.18Å; C8-I12 WeakPolarHBondContact O-CD1 3.41Å; C8-I12 VanDerWaalsContact O-CG1 3.23Å; C8-I12 WeakPolarHBondContact O-CG1 3.18Å; C8-I12 PolarHBondContact O-N 2.75Å; V9-I12 PolarHBondContact O-N 3.39Å; I12-L14 PolarHBondContact O-N 2.94Å; I12-A15 PolarHBondContact O-N 2.82Å; I12-V16 WeakPolarHBondContact O-CG2 3.47Å; I12-V16 PolarHBondContact O-N 2.77Å
13V51.1Low46.7Very low87 Ų87110.1 Ų110.153%0.52762%0.624SS.*Hα-helixtrans-62.2-42.7175.5169.20000111.2V9 L10 V16 T17V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 2.69Å; L10-V13 PolarHBondContact O-N 3.04Å; V13-V16 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-N 3.3Å; V13-T17 PolarHBondContact O-OG1 3.32Å
14L43.2Very low45.6Very low97 Ų97113.1 Ų113.151%0.50863%0.632SS.*Hα-helixtrans-65.5-42.7176.2-72.5167.7000112.4L10 L11 I12 V16 T17 D18L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CD2-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.12Å; I12-L14 PolarHBondContact O-N 2.94Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.92Å; L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 PolarHBondContact O-N 3.15Å; L14-T17 PolarHBondContact O-OG1 2.84Å; L14-D18 PolarHBondContact O-N 2.85Å
15A44.4Very low44.8Very low65 Ų65111.5 Ų111.554%0.53764%0.635SS.*Hα-helixtrans-63.9-27.9176.800000113.4L11 I12L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.5Å; I12-A15 PolarHBondContact O-N 2.82Å
16V45.1Very low43.5Very low108 Ų108114.1 Ų114.166%0.65565%0.648SS**Hα-helixtrans-77.9-25.4173.6171.30000112.1I12 V13 L14I12-V16 WeakPolarHBondContact O-CG2 3.47Å; I12-V16 PolarHBondContact O-N 2.77Å; V13-V16 PolarHBondContact O-N 3.1Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.92Å
17T40Very low42.4Very low108 Ų108109.8 Ų109.866%0.66365%0.648SS**Hα-helixtrans-82-14.3174.449.70000114.7V13 L14V13-T17 PolarHBondContact O-N 3.3Å; V13-T17 PolarHBondContact O-OG1 3.32Å; L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 PolarHBondContact O-N 3.15Å; L14-T17 PolarHBondContact O-OG1 2.84Å
18D37.4Very low41.2Very low141 Ų141112.9 Ų112.975%0.75465%0.654SS**THydrogen-bonded Turntrans-108.621.5-175.7-147.121000113.1L14 D20L14-D18 PolarHBondContact O-N 2.85Å; D18-D20 PolarHBondContact O-N 3.31Å
19V39.1Very low40.1Very low117 Ų117113.9 Ų113.971%0.70966%0.662SS**  trans-80.376168-173.10000108.6A21V19-A21 PolarHBondContact O-N 2.94Å
20D36.7Very low38.9Very low140 Ų140117.6 Ų117.675%0.74967%0.672SS**  trans-61.4134.3172.6-157.2-4.7000109.6D18 V22D18-D20 PolarHBondContact O-N 3.31Å; D20-V22 PolarHBondContact O-N 2.83Å
21A37.6Very low37.7Very low88 Ų88121.7 Ų121.773%0.72769%0.685SS**  trans-80.682.4-16700000110.5V19 A23V19-A21 PolarHBondContact O-N 2.94Å; A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 2.96Å
22V35.3Very low36.9Very low129 Ų129121.5 Ų121.578%0.78269%0.689SS**  trans-62.287.5178.6-176.60000110.8D20 K24D20-V22 PolarHBondContact O-N 2.83Å; V22-K24 PolarHBondContact O-N 2.85Å; V22-K24 VanDerWaalsContact O-N 3.16Å
23A32.7Very low35.8Very low71 Ų71126.2 Ų126.259%0.58771%0.705SS**  trans-62.7113.1169.300000108.6A21 T25A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 2.96Å; A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 2.88Å
24K30.8Very low34.8Very low201 Ų201130.9 Ų130.987%0.87472%0.718SS**  trans-70.287176.7-69.6-175.6179.3-179.20110V22 T26V22-K24 PolarHBondContact O-N 2.85Å; V22-K24 VanDerWaalsContact O-N 3.16Å; K24-T26 PolarHBondContact O-N 2.93Å
25T32Very low34.4Very low125 Ų125132.1 Ų132.177%0.76773%0.732SS**  trans-65.3111.4171.251.40000109.7A23A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 2.88Å
26T31Very low33.8Very low127 Ų127137 Ų13778%0.77975%0.749SS**PPolyproline II helixtrans-62.7141.4165.842.60000110.1K24K24-T26 PolarHBondContact O-N 2.93Å
27P30.7Very low33Very low126 Ų126135.4 Ų135.482%0.81876%0.755SS**PPolyproline II helixtrans-66.1156.1-178.827-34.3000113
28Y28.5Very low32.5Very low161 Ų161140.1 Ų140.163%0.63177%0.766SS**PPolyproline II helixtrans-78.1127.3-163.4-178.6-116.9000114.1K30Y28-K30 HydrophobicContact CD1-CG 3.86Å; Y28-K30 HydrophobicContact CE1-CD 4.13Å; Y28-K30 HydrophobicContact CE1-CG 3.36Å
29S29.2Very low32Very low92 Ų92141.7 Ų141.764%0.64377%0.769SS**  trans-108.3103.6174.2490000111.8F31S29-F31 PolarHBondContact O-N 2.95Å; S29-F31 VanDerWaalsContact O-N 3.08Å
30K32.2Very low31.5Very low156 Ų156145.2 Ų145.268%0.67878%0.78SS**  trans-69.5101.2177.5-73.6-175.2176.61800112Y28 T32Y28-K30 HydrophobicContact CD1-CG 3.86Å; Y28-K30 HydrophobicContact CE1-CD 4.13Å; Y28-K30 HydrophobicContact CE1-CG 3.36Å; K30-T32 PolarHBondContact O-N 3.02Å
31F28.5Very low31.1Very low197 Ų197145.1 Ų145.186%0.86478%0.779SS**  trans-96.773.6164.7-90.6-81000111.8S29 K33S29-F31 PolarHBondContact O-N 2.95Å; S29-F31 VanDerWaalsContact O-N 3.08Å; F31-K33 PolarHBondContact O-N 2.81Å; F31-K33 VanDerWaalsContact O-N 3.16Å
32T34.8Very low30.5Very low105 Ų105150.5 Ų150.564%0.64479%0.786SS**  trans-75100169.951.90000110.2K30 K34K30-T32 PolarHBondContact O-N 3.02Å; T32-K34 PolarHBondContact O-N 2.82Å
33K31Very low30.1Very low209 Ų209148 Ų14891%0.90979%0.786SS**  trans-65.7110.9174.5-159.4178.3-172.3-178.60109.5F31F31-K33 PolarHBondContact O-N 2.81Å; F31-K33 VanDerWaalsContact O-N 3.16Å
34K31.7Very low29.8Very low186 Ų186152.8 Ų152.881%0.80980%0.801SS**PPolyproline II helixtrans-71.3145.4171.1-74.6-175.6176-178.90109.8T32T32-K34 PolarHBondContact O-N 2.82Å
35P33.5Very low29.5Very low123 Ų123152 Ų15280%0.79980%0.797SS**PPolyproline II helixtrans-75.1136.5166.231.5-32.6000110.1G37P35-G37 PolarHBondContact O-N 2.88Å
36D31.4Very low29.5Very low167 Ų167152 Ų15289%0.89380%0.8SS**PPolyproline II helixtrans-72124.2175.5-82-51.5000111.6
37G28.3Very low29.7Very low75 Ų75150.2 Ų150.277%0.77379%0.79SS**  trans-80.2115.1170.500000110.3P35 E39P35-G37 PolarHBondContact O-N 2.88Å; G37-E39 PolarHBondContact O-N 2.86Å
38K30.7Very low29.6Very low206 Ų206152.1 Ų152.190%0.89679%0.793SS**  trans-8698.8-178.9-160.1172.7-169.2174.60110.6
39E27.3Very low29.4Very low174 Ų174147.7 Ų147.781%0.81380%0.797SS**  trans-59.3137.9172.3-72.9-167.1110.100111.8G37G37-E39 PolarHBondContact O-N 2.86Å
40M28.6Very low29.3Very low191 Ų191152.8 Ų152.894%0.94181%0.808SS**  trans-132.7123.6156.3-87.2-166.614800108.2
41L27.3Very low29Very low138 Ų138149.6 Ų149.672%0.72381%0.805SS**  trans-124.1139.4-171.4-165.880.5000111.9
42K26.2Very low29Very low201 Ų201148.1 Ų148.187%0.87481%0.805SS**  trans94.7125.6167.5-54.9175.7-179.7174.50116.4
43G25.5Very low28.7Very low76 Ų76149.3 Ų149.378%0.78481%0.808SS**  trans168.340.6173.700000120.2
44L26.6Very low28.8Very low172 Ų172147.5 Ų147.590%0.90181%0.808SS**  trans35.1106155.7-69.1162.5000121.6
45K25.1Very low28.7Very low186 Ų186147.2 Ų147.281%0.80981%0.809SS**  trans10.5136.5141.4-158.7175.3-171.3178.60121
46P31.4Very low28.5Very low125 Ų125149.4 Ų149.481%0.81281%0.809SS**  -123.8175.9118.924.1-8000113.3
47P35.9Very low28.3Very low89 Ų89146.1 Ų146.158%0.57880%0.795SS**  trans-115.8-177.1-161.643.2-35.3000117.1
48N27.8Very low28.2Very low166 Ų166150.1 Ų150.189%0.88880%0.798SS**  trans88136.8164-57.7-10.4000118.6
49G25.4Very low28.1Very low68 Ų68148.6 Ų148.670%0.70180%0.798SS**  trans139.191151.800000118
50F25.2Very low28Very low199 Ų199145 Ų14587%0.87379%0.788SS**  trans46.3112.9147.7-65.8-81.8000122.4
51S26Very low28Very low89 Ų89144.7 Ų144.762%0.62279%0.785SS**  trans-7.3141.5133.256.50000119.1
52L30.3Very low27.9Very low166 Ų166146 Ų14687%0.86979%0.789SS**  -149.6149.6102.4-110.4169.2000110.6
53D28.2Very low28Very low130 Ų130141.2 Ų141.270%0.69579%0.788SS**  trans-85.9158.9-177.5-47.3-91.7000111.1
54D31.6Very low28.1Very low171 Ų171142.2 Ų142.291%0.91479%0.788SS**  -165134.2124.8-97.6-26.7000109.2
55E30.4Very low28.1Very low180 Ų180143.1 Ų143.184%0.84179%0.79SS**  trans-114.7139.9-177.6-174.8-170.215900108.2
56E30.2Very low28.2Very low168 Ų168138.4 Ų138.479%0.78579%0.786SS**  trans-163.6135134.1-110.6-146.185.900115.8
57T27.4Very low27.9Very low99 Ų99141.2 Ų141.261%0.60779%0.788SS**  trans43.198.914252.70000122.7
58L26.1Very low28.5Very low159 Ų159141.5 Ų141.583%0.83279%0.79SS**  2.1143.3119.3-73.4163.1000119.2
59L27.1Very low28.4Very low173 Ų173140.2 Ų140.291%0.90679%0.789SS**  -154.8172.9124.5-112.7174.7000112.7
60T25.9Very low28.4Very low98 Ų98143.2 Ų143.260%0.60179%0.793SS**  trans-136.1137.7-155.8-58.70000113.4
61E28.4Very low28.3Very low185 Ų185137.4 Ų137.486%0.86479%0.79SS**  trans-164.7139.8149.4-104.2177.6125.300107
62M26.2Very low29Very low165 Ų165139.4 Ų139.481%0.81380%0.801SS**  cis69.7137.940.5-62.9-164.6-178.400113.4
63A27.2Very low28.8Very low102 Ų102137 Ų13784%0.84380%0.797SS**  cis-146.9-179.5-0.400000112.9
64A27.8Very low29.6Very low96 Ų96136.6 Ų136.679%0.79380%0.802SS**  trans-88175.6179.800000114.3
65M26.9Very low29.4Very low191 Ų191133.7 Ų133.794%0.94180%0.795SS**  trans-165.2154.6153.5-99.3-65.8172.300110.4
66A26.3Very low29.4Very low88 Ų88129.1 Ų129.173%0.72779%0.788SS**  trans-158.6154178.800000114.1
67E26.6Very low29.2Very low183 Ų183127.7 Ų127.786%0.85579%0.791SS**  trans61.9-179.2158.5-81.9-162.2-167.900119
68P47.9Very low29.2Very low96 Ų96127.9 Ų127.962%0.62380%0.803SS**  -133.3-177.8-54.338.5-23.8000112.9
69T25Very low29.2Very low139 Ų139129 Ų12985%0.85380%0.804SS**  trans-178.3179.3144.820.90000114.3
70T26.3Very low29.8Very low130 Ų130125.3 Ų125.380%0.79879%0.79SS**  -151.9135.8-125.341.90000117.4
71G23.3Very low29.8Very low78 Ų78126.4 Ų126.480%0.80480%0.797SS**  trans67-177.2152.300000119.1
72P39.3Very low29.8Very low130 Ų130124.2 Ų124.284%0.84480%0.796SS**  cis-130177.5-9.541.9-26.8000115.3
73S27.7Very low29.6Very low115 Ų115123.3 Ų123.380%0.80480%0.795SS**  trans-115.3167.1166.5-53.30000111.1
74P44.7Very low30.2Very low122 Ų122123.7 Ų123.779%0.79279%0.789SS**  -143.4-164.694.743.6-28.2000110.7
75S27.5Very low30Very low110 Ų110124 Ų12477%0.76979%0.785SS**  cis-172.2174.4-7.326.40000106.5
76A29.7Very low29.9Very low84 Ų84119.3 Ų119.369%0.69478%0.776SS**  cis172.4170.9-29.600000105.4
77T26.7Very low29.8Very low138 Ų138121 Ų12185%0.84778%0.783SS**  cis-160.4136.63.1-19.60000108
78A27.5Very low29.8Very low103 Ų103116.4 Ų116.485%0.85178%0.776SS**  trans-163.9127.9159.200000112.7
79E25.6Very low28.9Very low182 Ų182118.7 Ų118.785%0.8579%0.789SS**  trans-152.6-177.6176.1-118.4-157.5-126.400107.1
80P39.7Very low29Very low96 Ų96116.6 Ų116.662%0.62379%0.786SS**  cis-132.81781043.5-27.9000115.5
81T26.1Very low29.2Very low122 Ų122116.2 Ų116.275%0.74879%0.788SS**  -173.3115.6114.6320000113.4
82T27Very low29.5Very low138 Ų138119.9 Ų119.985%0.84779%0.788SS**  trans5598.4149.455.60000120.5
83D23.4Very low28.9Very low147 Ų147123.4 Ų123.479%0.78679%0.791SS**  trans-83-169.4157.2-140.716.7000109.8
84P38.4Very low29.2Very low109 Ų109122.8 Ų122.871%0.70878%0.784SS**  cis-137.3153.3-0.537.5-16.6000119.2
85S24.9Very low28.6Very low104 Ų104126.6 Ų126.673%0.72779%0.789SS**  34.4127.4126.2-151.10000123.4
86A25.3Very low28.7Very low91 Ų91128.8 Ų128.875%0.75279%0.786SS**  trans88.8153.2131.700000124.2
87S23.2Very low29.1Very low125 Ų125130.4 Ų130.487%0.87479%0.793SS**  trans92.4154.7153.5-146.90000119.2
88A27.5Very low29.3Very low85 Ų85133.1 Ų133.170%0.70279%0.793SS**  trans-91.9152.4-16700000113
89T27.4Very low29.5Very low145 Ų145133.5 Ų133.589%0.8979%0.79SS**  trans-144.682.1157.31.60000110.2S91T89-S91 PolarHBondContact O-N 2.98Å
90A28Very low30.1Very low95 Ų95132.7 Ų132.779%0.78579%0.79SS**  trans-72.2115161.200000108.1L92A90-L92 PolarHBondContact O-N 2.87Å
91S30.4Very low29.7Very low121 Ų121135.3 Ų135.385%0.84680%0.799SS**  trans-7495.8-179.5550000111T89T89-S91 PolarHBondContact O-N 2.98Å
92L30.8Very low30.9Very low155 Ų155135.5 Ų135.581%0.81280%0.8SS**  trans-66.7127.3167.2-75.3166.2000110.4A90A90-L92 PolarHBondContact O-N 2.87Å
93F26.1Very low31.7Very low204 Ų204132.7 Ų132.790%0.89579%0.791SS**  trans-136.4143135.4-90.9-76.5000108.6
94P34.2Very low32.6Very low102 Ų102128.5 Ų128.566%0.66278%0.782SS**  trans-94159.7-16337-35000112.7
95F30.6Very low32.8Very low203 Ų203132.5 Ų132.589%0.8979%0.789SS**  trans-138.4155.7140.3-106.9-73.5000111
96E30.5Very low33.9Very low155 Ų155136.9 Ų136.972%0.72480%0.795SS**  trans-78.7164.5-156-65.3159.8127.500114.3F98E96-F98 PolarHBondContact O-N 3.26Å
97S38Very low35Very low119 Ų119139.7 Ų139.783%0.83280%0.797SS**  trans-41.7119.5169.348.40000114.3
98F30.1Very low35.8Very low195 Ų195140.2 Ų140.286%0.85579%0.79SS**  trans-113.7136.6154.9-89-93.2000109.9E96E96-F98 PolarHBondContact O-N 3.26Å
99S32.8Very low36.8Very low110 Ų110141 Ų14177%0.76979%0.789SS**  trans-65.1139.3172.549.60000111D101S99-D101 PolarHBondContact O-N 2.85Å
100L38.2Very low37.8Very low166 Ų166139.7 Ų139.787%0.86978%0.784SS**  trans-64.2106.6170.1-83.284.7000110.2
101D30.4Very low38.4Very low151 Ų151144 Ų14481%0.80779%0.788SS**  trans-89.1129.2158.5-170.115.5000109.8S99 A103S99-D101 PolarHBondContact O-N 2.85Å; D101-A103 PolarHBondContact O-N 2.75Å
102T51.7Low39.2Very low126 Ų126143.1 Ų143.177%0.77378%0.781SS**THydrogen-bonded Turntrans-100.868.2-155.7-54.70000111.7
103A44.5Very low40Very low78 Ų78140.7 Ų140.765%0.64578%0.775SS**THydrogen-bonded Turntrans-151.8-30.5172.800000115.5D101D101-A103 PolarHBondContact O-N 2.75Å
104G42.6Very low41.1Very low59 Ų59135.5 Ų135.561%0.60876%0.764SS**SBendtrans-83-21.9-158.600000118.4
105F42.9Very low41.6Very low193 Ų193138 Ų13885%0.84677%0.772SS**SBendtrans-92.9-10.1-154.3-140.4-95.3000117.2
106F47.3Very low42.2Very low196 Ų196134.2 Ų134.286%0.8677%0.765SS**SBendtrans-118.1-1.7-173.9-80.7-81.6000115.8
107L47.4Very low42.8Very low151 Ų151132.3 Ų132.379%0.79177%0.766SS**  trans-109.116.6-169.1-78.5167.1000115.6
108N40.5Very low43.3Very low136 Ų136129.6 Ų129.673%0.72776%0.757SS**SBendtrans-104.719.6-171.2-120.5-28.9000116
109C48.6Very low43.9Very low101 Ų101129.4 Ų129.468%0.68276%0.759SS**SBendtrans-122.6-26.7176-76.10000114.8H111C109-H111 PolarHBondContact O-N 3.22Å
110C48Very low44.4Very low117 Ų117133.6 Ų133.679%0.79176%0.763SS**THydrogen-bonded Turntrans-95.715.5-167.9-63.20000116
111H41.8Very low44.9Very low185 Ų185128.6 Ų128.686%0.85675%0.751SS**THydrogen-bonded Turntrans-136.35.2172.7-129.861.1000116.1C109C109-H111 PolarHBondContact O-N 3.22Å
112C45.7Very low45.4Very low104 Ų104128.8 Ų128.870%0.70375%0.752SS**SBendtrans-107.5-11.1-177.3-65.40000114.8
113C48.8Very low45.2Very low103 Ų103128.4 Ų128.470%0.69675%0.752SS**SBendtrans-108.7-9.2-170-64.90000115.8L115C113-L115 VanDerWaalsContact C-N 3.3Å; C113-L115 PolarHBondContact O-N 2.92Å
114S49.2Very low45.2Very low95 Ų95127.7 Ų127.766%0.66475%0.753SS**SBendtrans-89.929.6-173.5-60.70000114.9
115L44.1Very low45.2Very low155 Ų155134.9 Ų134.981%0.81277%0.767SS**  trans-15072.5172.7-107.9170.2000110.3C113 P117C113-L115 VanDerWaalsContact C-N 3.3Å; C113-L115 PolarHBondContact O-N 2.92Å; L115-P117 WeakPolarHBondContact O-CD 3.45Å; L115-P117 VanDerWaalsContact O-N 3.17Å
116V42.5Very low45.3Very low124 Ų124134.5 Ų134.575%0.75277%0.77SS**  trans-56.1119.8159.6176.60000106.9G118V116-G118 PolarHBondContact O-N 3.01Å
117P44.2Very low45Very low114 Ų114127.7 Ų127.774%0.7476%0.756SS**  trans-67.598.1178.7-19.233.4000108.3L115 Q119L115-P117 WeakPolarHBondContact O-CD 3.45Å; L115-P117 VanDerWaalsContact O-N 3.17Å; P117-Q119 PolarHBondContact O-N 3.26Å
118G47.5Very low44.7Very low63 Ų63129.7 Ų129.765%0.64976%0.761SS**  trans-48.9124.7-174.600000110.1V116 K120V116-G118 PolarHBondContact O-N 3.01Å; G118-K120 PolarHBondContact O-N 2.85Å
119Q43.2Very low44.8Very low190 Ų190132.5 Ų132.589%0.88877%0.77SS**  trans-46.8125.9-163.3-71.2-169.68.400110.7P117 G121P117-Q119 PolarHBondContact O-N 3.26Å; Q119-G121 PolarHBondContact O-N 3.28Å
120K44.3Very low44.4Very low198 Ų198130 Ų13086%0.86176%0.761SS**  trans-56100.6-178.3178-173.8175-173.90108.6G118 N122G118-K120 PolarHBondContact O-N 2.85Å; K120-N122 PolarHBondContact O-N 3.43Å
121G46.7Very low44.1Very low61 Ų61130.5 Ų130.563%0.62976%0.763SS**  trans-48134-171.500000111.6Q119Q119-G121 PolarHBondContact O-N 3.28Å
122N42.8Very low44.2Very low155 Ų155131.1 Ų131.183%0.82976%0.763SS**  trans-44.8136.1-171-75-31.4000111.4K120 G124K120-N122 PolarHBondContact O-N 3.43Å; N122-G124 PolarHBondContact O-N 2.85Å; N122-G124 VanDerWaalsContact O-N 3.09Å
123P46.3Very low44Very low119 Ų119128.9 Ų128.977%0.77376%0.757SS**  trans-48.2122.5177.1-27.935000110.4K125P123-K125 PolarHBondContact O-N 2.75Å
124G45.5Very low43.7Very low63 Ų63133.2 Ų133.265%0.64977%0.767SS**  trans-52.9135.3-178.900000110N122 M126N122-G124 PolarHBondContact O-N 2.85Å; N122-G124 VanDerWaalsContact O-N 3.09Å; G124-M126 PolarHBondContact O-N 2.67Å
125K42.3Very low43.4Very low209 Ų209134.9 Ų134.991%0.90977%0.774SS**  trans-43.6131.6-173.7-70.5-175177.6-176.10110.4P123 G127P123-K125 PolarHBondContact O-N 2.75Å; K125-G127 PolarHBondContact O-N 3.12Å
126M43.7Very low43.3Very low185 Ų185129.8 Ų129.891%0.91176%0.758SS**PPolyproline II helixtrans-53126.4175.4-178.116665.700108.7G124G124-M126 PolarHBondContact O-N 2.67Å
127G42Very low43.2Very low54 Ų54131.5 Ų131.556%0.55776%0.763SS**PPolyproline II helixtrans-57.1142.7179.600000110.6K125K125-G127 PolarHBondContact O-N 3.12Å
128E40.4Very low43.1Very low192 Ų192134.1 Ų134.190%0.89777%0.769SS**PPolyproline II helixtrans-54.9143.2-173.2-62.5-174.6151.100111.8G130E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.17Å
129Q43.4Very low42.8Very low196 Ų196133.4 Ų133.492%0.91676%0.762SS**PPolyproline II helixtrans-63.8120.3179.4-173172.359.500108.7
130G40Very low42.6Very low48 Ų48129.6 Ų129.650%0.49576%0.757SS.*PPolyproline II helixtrans-54145.9179.500000111.5E128 K132E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.17Å; G130-K132 PolarHBondContact O-N 2.83Å
131P41.9Very low42.7Very low128 Ų128126.2 Ų126.283%0.83176%0.755SS**PPolyproline II helixtrans-54.2139.8-168.120.5-33.2000112G133P131-G133 PolarHBondContact O-N 2.87Å; P131-G133 VanDerWaalsContact O-N 3.11Å
132K44Very low42.3Very low197 Ų197125.8 Ų125.886%0.85775%0.751SS**PPolyproline II helixtrans-55.6117.3176-179-180176.7-177.30108.6G130G130-K132 PolarHBondContact O-N 2.83Å
133G42.3Very low42.2Very low57 Ų57124.2 Ų124.259%0.58875%0.749SS**PPolyproline II helixtrans-55.1143178.900000111.6P131P131-G133 PolarHBondContact O-N 2.87Å; P131-G133 VanDerWaalsContact O-N 3.11Å
134E40.8Very low42.2Very low195 Ų195124.5 Ų124.591%0.91175%0.751SS**PPolyproline II helixtrans-58.8146.8-171.3-66.2168.4151.100112.1G136E134-G136 PolarHBondContact O-N 2.96Å
135T44Very low42.1Very low130 Ų130124.7 Ų124.780%0.79875%0.753SS**  trans-72.1112.5176.5-560000108.3
136G41.7Very low42Very low47 Ų47122.8 Ų122.849%0.48575%0.751SS.*PPolyproline II helixtrans-57.3146.9175.700000112.3E134E134-G136 PolarHBondContact O-N 2.96Å
137D39.5Very low42.1Very low160 Ų160120.6 Ų120.686%0.85675%0.748SS**PPolyproline II helixtrans-57.6149.4-166.2-56.6-76.5000114.5G139D137-G139 PolarHBondContact O-N 2.6Å
138I43.6Very low42.1Very low169 Ų169120.6 Ų120.687%0.86775%0.748SS**PPolyproline II helixtrans-70.4120.2175.3-59.9175.4000108.1S140I138-S140 PolarHBondContact O-N 3.45Å
139G40.8Very low42.3Very low49 Ų49117.8 Ų117.851%0.50575%0.746SS.*PPolyproline II helixtrans-55.1133.6175.300000111.3D137D137-G139 PolarHBondContact O-N 2.6Å
140S37.7Very low42.3Very low110 Ų110117.8 Ų117.877%0.76975%0.746SS**PPolyproline II helixtrans-59.4142.2-175.538.60000112I138 G142I138-S140 PolarHBondContact O-N 3.45Å; S140-G142 PolarHBondContact O-N 3.45Å
141P46.7Very low42.5Very low126 Ų126118.1 Ų118.182%0.81875%0.75SS**PPolyproline II helixtrans-56137.6175-2635000111.9
142G38.7Very low42.6Very low53 Ų53118.4 Ų118.455%0.54675%0.752SS.*PPolyproline II helixtrans-62.1149.6174.400000111.7S140S140-G142 PolarHBondContact O-N 3.45Å
143P40.9Very low42.7Very low121 Ų121119 Ų11979%0.78675%0.754SS**PPolyproline II helixtrans-62.2148.8-179.226.5-34.7000111.5G145P143-G145 PolarHBondContact O-N 3.03Å
144P47.5Very low42.7Very low125 Ų125119.5 Ų119.581%0.81276%0.76SS**PPolyproline II helixtrans-54.9138.3175.9-25.935000112.3I146P144-I146 PolarHBondContact O-N 3.4Å
145G42.4Very low42.6Very low68 Ų68119.9 Ų119.970%0.70176%0.762SS**PPolyproline II helixtrans-62.3133.3176.800000111.5P143 T147P143-G145 PolarHBondContact O-N 3.03Å; G145-T147 PolarHBondContact O-N 3.27Å
146I39.8Very low42.6Very low168 Ų168122.6 Ų122.686%0.86276%0.762SS**PPolyproline II helixtrans-59.9134.9177.355.3173000110.9P144 G148P144-I146 PolarHBondContact O-N 3.4Å; I146-G148 PolarHBondContact O-N 3.29Å
147T46.2Very low42.8Very low139 Ų139123.3 Ų123.385%0.85377%0.77SS**PPolyproline II helixtrans-67.4128.3174.8-52.30000109.5G145G145-T147 PolarHBondContact O-N 3.27Å
148G42.4Very low42.7Very low54 Ų54125.3 Ų125.356%0.55777%0.774SS**PPolyproline II helixtrans-61.4149.1178.200000112.2I146 Q150I146-G148 PolarHBondContact O-N 3.29Å; G148-Q150 PolarHBondContact O-N 3.45Å
149P43.3Very low42.5Very low133 Ų133125.3 Ų125.386%0.86477%0.768SS**PPolyproline II helixtrans-60.9137.7-179.826.1-34.4000111G151P149-G151 PolarHBondContact O-N 3.4Å
150Q45.3Very low42.4Very low196 Ų196126.2 Ų126.292%0.91678%0.777SS**PPolyproline II helixtrans-62.8130.5178.8-170.3173.731.200110.2G148G148-Q150 PolarHBondContact O-N 3.45Å
151G43.8Very low42.3Very low56 Ų56128.8 Ų128.858%0.57778%0.781SS**PPolyproline II helixtrans-58.4149.2-179.200000112.9P149 K153P149-G151 PolarHBondContact O-N 3.4Å; G151-K153 PolarHBondContact O-N 3.29Å
152P42.5Very low41.9Very low134 Ų134130 Ų13087%0.8777%0.774SS**PPolyproline II helixtrans-60132.4-17524.6-34.1000111.5G154P152-G154 PolarHBondContact O-N 2.96Å
153K46.3Very low41.9Very low208 Ų208131.1 Ų131.190%0.90479%0.786SS**PPolyproline II helixtrans-65.4119.8-178.4-170173.4-174.8172.50110.1G151G151-K153 PolarHBondContact O-N 3.29Å
154G43.3Very low41.6Very low68 Ų68132.4 Ų132.470%0.70178%0.781SS**PPolyproline II helixtrans-54144.5179.600000112.9P152P152-G154 PolarHBondContact O-N 2.96Å
155Q39.2Very low41.1Very low203 Ų203135.6 Ų135.695%0.94978%0.777SS**PPolyproline II helixtrans-64.5145-177.5-65.9-170.58.600111.6
156K43.1Very low41Very low187 Ų187135.9 Ų135.981%0.81378%0.78SS**PPolyproline II helixtrans-92.7118.1-171.8177.1-175.2172.6-170.70110.3
157G45Very low40.9Very low63 Ų63133.6 Ų133.665%0.64977%0.77SS**PPolyproline II helixtrans-61152.7168.400000112.6
158E39Very low40.7Very low202 Ų202136 Ų13694%0.94477%0.771SS**PPolyproline II helixtrans-70.6168.2-172.8-65.1-157.4116.100114.4
159K38.4Very low40.9Very low169 Ų169136.4 Ų136.474%0.73578%0.776SS**  trans-101.2107.4-152.1-176.4-173.1178.1-168.80113.1
160G39.8Very low40.8Very low68 Ų68135.1 Ų135.170%0.70178%0.777SS**  trans-62148158.100000112
161L34.4Very low40.7Very low163 Ų163129.2 Ų129.285%0.85377%0.768SS**  trans-87.9175.8-174.9-75.9174.6000114.1
162K38Very low40.8Very low152 Ų152130 Ų13066%0.66178%0.777SS**  trans-87.1134.7-151.9-178.6-173.5176.5-172.50114.4E164K162-E164 WeakPolarHBondContact CE-OE1 3.39Å; K162-E164 WeakPolarHBondContact CE-OE2 3.31Å; K162-E164 IonicContact NZ-OE1 3.78Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; K162-E164 IonicContact NZ-OE2 3.83Å; K162-E164 PolarHBondContact NZ-OE2 2.95Å
163G39.8Very low40.7Very low77 Ų77129.8 Ų129.879%0.79477%0.772SS**  trans-123.8154.1148.200000108.7
164E34.2Very low40.7Very low148 Ų148125.3 Ų125.369%0.69276%0.764SS**  trans-130.9129.5-165.3-164.8155-121.100114.5K162K162-E164 WeakPolarHBondContact CE-OE1 3.39Å; K162-E164 WeakPolarHBondContact CE-OE2 3.31Å; K162-E164 IonicContact NZ-OE1 3.78Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; K162-E164 IonicContact NZ-OE2 3.83Å; K162-E164 PolarHBondContact NZ-OE2 2.95Å
165R36.7Very low40.9Very low191 Ų191125.4 Ų125.472%0.72177%0.765SS**  trans51.6113.8159.4-179.7173.6-83.9169.7-14.4119.3D167R165-D167 VanDerWaalsContact CD-OD2 3.26Å; R165-D167 WeakPolarHBondContact CD-OD2 3.36Å; R165-D167 IonicContact CZ-OD1 2.77Å; R165-D167 IonicContact CZ-OD2 2.91Å; R165-D167 VanDerWaalsContact CZ-OD2 3.31Å; R165-D167 IonicContact NE-OD1 2.79Å; R165-D167 PolarHBondContact NE-OD1 3.42Å; R165-D167 IonicContact NE-OD2 3.08Å; R165-D167 PolarHBondContact NE-OD2 3.32Å; R165-D167 IonicContact NH2-OD1 2.69Å; R165-D167 PolarHBondContact NH2-OD1 3.49Å; R165-D167 VanDerWaalsContact NH2-OD1 3.08Å; R165-D167 IonicContact NH2-OD2 3.33Å
166G39.5Very low40.9Very low75 Ų75126 Ų12677%0.77376%0.761SS**  -112.3136.6115.800000107.9Q168G166-Q168 PolarHBondContact O-N 3.43Å
167D38.3Very low41.1Very low120 Ų120122.8 Ų122.864%0.64276%0.759SS**PPolyproline II helixtrans-76.6119.6-178.2-73.8-46.4000110.7R165R165-D167 VanDerWaalsContact CD-OD2 3.26Å; R165-D167 WeakPolarHBondContact CD-OD2 3.36Å; R165-D167 IonicContact CZ-OD1 2.77Å; R165-D167 IonicContact CZ-OD2 2.91Å; R165-D167 VanDerWaalsContact CZ-OD2 3.31Å; R165-D167 IonicContact NE-OD1 2.79Å; R165-D167 PolarHBondContact NE-OD1 3.42Å; R165-D167 IonicContact NE-OD2 3.08Å; R165-D167 PolarHBondContact NE-OD2 3.32Å; R165-D167 IonicContact NH2-OD1 2.69Å; R165-D167 PolarHBondContact NH2-OD1 3.49Å; R165-D167 VanDerWaalsContact NH2-OD1 3.08Å; R165-D167 IonicContact NH2-OD2 3.33Å
168Q42.7Very low41.1Very low188 Ų188122.7 Ų122.788%0.87976%0.758SS**PPolyproline II helixtrans-73.8126.7179.7-178176.9-14.700110.4G166G166-Q168 PolarHBondContact O-N 3.43Å
169G46.7Very low41.3Very low64 Ų64122.4 Ų122.466%0.6675%0.753SS**PPolyproline II helixtrans-55142.517700000112.6G171G169-G171 PolarHBondContact O-N 2.77Å
170A40.8Very low41.6Very low106 Ų106120.4 Ų120.488%0.87676%0.757SS**PPolyproline II helixtrans-56.2123.2-174.300000111.6G172A170-G172 PolarHBondContact O-N 3.02Å
171G43.5Very low41.8Very low72 Ų72119.6 Ų119.674%0.74275%0.749SS**PPolyproline II helixtrans-61.9129.2177.600000111G169 V173G169-G171 PolarHBondContact O-N 2.77Å; G171-V173 PolarHBondContact O-N 3.43Å
172G44.5Very low42.2Very low73 Ų73120.8 Ų120.875%0.75375%0.75SS**PPolyproline II helixtrans-54.7138.3178.600000111.8A170A170-G172 PolarHBondContact O-N 3.02Å
173V40.6Very low42.5Very low128 Ų128122 Ų12278%0.77676%0.758SS**PPolyproline II helixtrans-57.1127.9-175.4-172.40000109.8G171 G175G171-V173 PolarHBondContact O-N 3.43Å; V173-G175 PolarHBondContact O-N 3.32Å
174P47.4Very low42.6Very low114 Ų114120.2 Ų120.274%0.7474%0.74SS**PPolyproline II helixtrans-55.8127.6174.5-26.135000110.7Y176P174-Y176 PolarHBondContact O-N 3.23Å
175G46.8Very low42.9Very low70 Ų70116.2 Ų116.272%0.72274%0.739SS**PPolyproline II helixtrans-55.8135.9177.600000111V173V173-G175 PolarHBondContact O-N 3.32Å
176Y39.9Very low43.2Very low216 Ų216115.1 Ų115.185%0.84775%0.746SS**PPolyproline II helixtrans-52137.2-176.5-68.5-80.8000111.6P174 G178P174-Y176 PolarHBondContact O-N 3.23Å; Y176-G178 PolarHBondContact O-N 3.07Å
177P47.3Very low43.2Very low119 Ų119113.1 Ų113.177%0.77373%0.726SS**PPolyproline II helixtrans-52.1135.2170.4-26.134.8000110.7K179P177-K179 PolarHBondContact O-N 3.5Å
178G44Very low43.4Very low61 Ų61112.7 Ų112.763%0.62973%0.729SS**PPolyproline II helixtrans-54.2138.117400000110.2Y176Y176-G178 PolarHBondContact O-N 3.07Å
179K42.9Very low43.5Very low197 Ų197113.4 Ų113.486%0.85773%0.73SS**PPolyproline II helixtrans-53.2134.8179.6-65.5-177.4-179.1179.50109.3P177 G181P177-K179 PolarHBondContact O-N 3.5Å; K179-G181 PolarHBondContact O-N 3.37Å
180P46Very low43.2Very low126 Ų126112.3 Ų112.382%0.81872%0.719SS**PPolyproline II helixtrans-51.6131171.1-2634.8000109.9
181G43.1Very low43.1Very low51 Ų51114.6 Ų114.653%0.52672%0.716SS.*PPolyproline II helixtrans-58.4141.2177.200000110.4K179 Q183K179-G181 PolarHBondContact O-N 3.37Å; G181-Q183 PolarHBondContact O-N 3.24Å
182E43Very low43.1Very low188 Ų188120.2 Ų120.288%0.87972%0.72SS**PPolyproline II helixtrans-58134.4-175.3-65.4-165.3144.300111.2G184E182-G184 PolarHBondContact O-N 2.94Å; E182-G184 VanDerWaalsContact O-N 3.14Å
183Q43.9Very low42.9Very low177 Ų177118.5 Ų118.583%0.82770%0.702SS**PPolyproline II helixtrans-64.4117.7178.7-176.8-178-55.600108.8G181 G185G181-Q183 PolarHBondContact O-N 3.24Å; Q183-G185 PolarHBondContact O-N 2.84Å
184G42.9Very low42.8Very low40 Ų40119.6 Ų119.641%0.41270%0.704SS.*PPolyproline II helixtrans-48.1129.517800000111.5E182E182-G184 PolarHBondContact O-N 2.94Å; E182-G184 VanDerWaalsContact O-N 3.14Å
185G39.7Very low42.5Very low65 Ų65121.8 Ų121.867%0.6771%0.708SS**PPolyproline II helixtrans-56.3146.6-17200000112.7Q183 G187Q183-G185 PolarHBondContact O-N 2.84Å; G185-G187 PolarHBondContact O-N 2.81Å
186L42.9Very low42.1Very low167 Ų167119.9 Ų119.987%0.87469%0.688SS**PPolyproline II helixtrans-57.6125.1172.6-92.7111.4000109.7
187G39.9Very low42.1Very low33 Ų33115.4 Ų115.434%0.3469%0.686SS.*PPolyproline II helixtrans-55.6149.3173.300000111.3G185 K189G185-G187 PolarHBondContact O-N 2.81Å; G187-K189 PolarHBondContact O-N 3.01Å
188P42.8Very low41.9Very low111 Ų111114.6 Ų114.672%0.72169%0.689SS**PPolyproline II helixtrans-56.9134-175.123.3-33.6000111.1G190P188-G190 PolarHBondContact O-N 2.81Å; P188-G190 VanDerWaalsContact O-N 3.15Å
189K45Very low41.7Very low204 Ų204113.8 Ų113.889%0.88768%0.68SS**  trans-62.4115.5178.7-177.6176-175.3169.70109.2G187G187-K189 PolarHBondContact O-N 3.01Å
190G40.6Very low41.5Very low41 Ų41110.3 Ų110.342%0.42368%0.676SS.*  trans-51.2145.6-176.800000113.6P188P188-G190 PolarHBondContact O-N 2.81Å; P188-G190 VanDerWaalsContact O-N 3.15Å
191D39.3Very low41.4Very low154 Ų154114 Ų11482%0.82468%0.679SS**  trans-62.1144.4-169.1-83.6-55.2000113.7G193D191-G193 PolarHBondContact O-N 3.14Å; D191-G193 VanDerWaalsContact O-N 3.16Å
192K43.7Very low41.4Very low189 Ų189113.4 Ų113.482%0.82267%0.673SS**  trans-75.2108.7-179.6-176-176.9177.4-175.20109.4
193G39.8Very low41.1Very low37 Ų37113.3 Ų113.338%0.38167%0.672SS.*  trans-42.4137.7179.200000114.3D191D191-G193 PolarHBondContact O-N 3.14Å; D191-G193 VanDerWaalsContact O-N 3.16Å
194N38Very low41.1Very low152 Ų152114.6 Ų114.681%0.81368%0.675SS**PPolyproline II helixtrans-58140.2-172-74.3-46000112.6G196N194-G196 PolarHBondContact O-N 3.09Å
195I41.3Very low41.2Very low159 Ų159114.8 Ų114.882%0.81568%0.677SS**PPolyproline II helixtrans-69.2125.1174-56.7178.1000107.9
196G37.8Very low41.3Very low31 Ų31117.2 Ų117.232%0.3268%0.684SS.*PPolyproline II helixtrans-57.5152.2177.700000112.6N194N194-G196 PolarHBondContact O-N 3.09Å
197P40.3Very low41.4Very low122 Ų122117.8 Ų117.879%0.79268%0.679SS**PPolyproline II helixtrans-58.4142.3-177.624.8-34.3000111.4G199P197-G199 PolarHBondContact O-N 3.33Å
198A43.5Very low41.8Very low101 Ų101118.7 Ų118.784%0.83569%0.689SS**PPolyproline II helixtrans-61.8132.7179.600000110.9
199G39.3Very low41.7Very low44 Ų44120.8 Ų120.845%0.45469%0.694SS.*PPolyproline II helixtrans-54.8144.5-179.500000112.6P197 K201P197-G199 PolarHBondContact O-N 3.33Å; G199-K201 PolarHBondContact O-N 3.07Å
200T39.5Very low41.9Very low125 Ų125118.9 Ų118.977%0.76769%0.693SS**PPolyproline II helixtrans-61.3134.7-178.144.80000110.8G202T200-G202 PolarHBondContact O-N 2.77Å
201K43.8Very low41.8Very low204 Ų204122.2 Ų122.289%0.88771%0.708SS**PPolyproline II helixtrans-66.3120.9178.2-174.9-174.4177-170.30109G199G199-K201 PolarHBondContact O-N 3.07Å
202G41.4Very low42Very low37 Ų37118.7 Ų118.738%0.38171%0.708SS.*PPolyproline II helixtrans-50.7145.9179.100000113.1T200T200-G202 PolarHBondContact O-N 2.77Å
203Q38.8Very low42.1Very low187 Ų187117 Ų11787%0.87471%0.708SS**PPolyproline II helixtrans-61.8144.9-178.8-67.9-169.53.300110.9G205Q203-G205 PolarHBondContact O-N 3.03Å
204K43.3Very low42.3Very low203 Ų203119.3 Ų119.388%0.88373%0.732SS**PPolyproline II helixtrans-77.5119.3172.4-176-170.8175-167.60107.7
205G44.4Very low42.4Very low44 Ų44118.6 Ų118.645%0.45473%0.733SS.*PPolyproline II helixtrans-50.7145.9176.100000112.7Q203Q203-G205 PolarHBondContact O-N 3.03Å
206S42.2Very low42.5Very low117 Ų117120.7 Ų120.782%0.81874%0.736SS**PPolyproline II helixtrans-59.4149.4177.9410000111.4G208S206-G208 PolarHBondContact O-N 2.74Å
207K44.5Very low43Very low179 Ų179122 Ų12278%0.77875%0.75SS**PPolyproline II helixtrans-80118.2171-175.9-170.6174.7-164.80107
208G48.5Very low43.2Very low52 Ų52125.1 Ų125.154%0.53675%0.754SS.*PPolyproline II helixtrans-61.3146.1175.700000112.2S206S206-G208 PolarHBondContact O-N 2.74Å
209D40.6Very low43.2Very low154 Ų154129.6 Ų129.682%0.82475%0.754SS**PPolyproline II helixtrans-73.2155.3-177.8-68-60.3000113C211D209-C211 PolarHBondContact O-N 3.2Å
210L48.6Very low43.3Very low165 Ų165129.5 Ų129.586%0.86475%0.753SS**  trans-89.984.2-170.9-72.6168.5000111.8
211C39.6Very low43.3Very low110 Ų110130.2 Ų130.274%0.74375%0.752SS**  trans-124156.8163.951.30000111.6D209 N213D209-C211 PolarHBondContact O-N 3.2Å; C211-N213 VanDerWaalsContact C-N 3.35Å; C211-N213 PolarHBondContact O-N 3.36Å
212G43.7Very low43.2Very low81 Ų81126.2 Ų126.284%0.83575%0.747SS**SBendtrans-77.357.7-155.600000117.8
213N46.1Very low43.1Very low153 Ų153126.5 Ų126.582%0.81875%0.75SS**SBendtrans-164.2111.5149.5-105.3-20.9000109.9C211 T215C211-N213 VanDerWaalsContact C-N 3.35Å; C211-N213 PolarHBondContact O-N 3.36Å; N213-T215 PolarHBondContact O-N 3.43Å
214G43.3Very low43.2Very low85 Ų85121.6 Ų121.688%0.87674%0.741SS**  trans-76.987.7-164.300000115.2
215T39.4Very low43.2Very low137 Ų137117.9 Ų117.984%0.8474%0.741SS**  trans-73.4130.1160.848.40000110.2N213 G217N213-T215 PolarHBondContact O-N 3.43Å; T215-G217 PolarHBondContact O-N 3.47Å; T215-G217 VanDerWaalsContact O-N 3.17Å
216K44.8Very low42.9Very low204 Ų204118 Ų11889%0.88774%0.743SS**  trans-73.3107178.9177.8-178.1175.9-177.80109.1
217G48.2Very low42.8Very low58 Ų58116.8 Ų116.860%0.59874%0.739SS**  trans-48.5139.9-18000000113.3T215T215-G217 PolarHBondContact O-N 3.47Å; T215-G217 VanDerWaalsContact O-N 3.17Å
218E44.5Very low42.7Very low187 Ų187117.2 Ų117.287%0.87474%0.744SS**  trans-66.7150.2-165-62-168127.900113.7G220E218-G220 PolarHBondContact O-N 3.08Å; E218-G220 VanDerWaalsContact O-N 3.16Å
219K42.3Very low42.2Very low196 Ų196116.4 Ų116.485%0.85274%0.735SS**  trans-8197.8-179.9179.8-164.6169.5-165.10108.9
220G42.6Very low42.1Very low41 Ų41118.2 Ų118.242%0.42374%0.736SS.*PPolyproline II helixtrans-49.2149.1178.100000114.6E218E218-G220 PolarHBondContact O-N 3.08Å; E218-G220 VanDerWaalsContact O-N 3.16Å
221D39.3Very low41.8Very low141 Ų141118.4 Ų118.475%0.75474%0.736SS**PPolyproline II helixtrans-64.1154-159.5-63.4-69.2000116G223D221-G223 PolarHBondContact O-N 3.06Å
222P42.3Very low41.7Very low119 Ų119115 Ų11577%0.77372%0.719SS**PPolyproline II helixtrans-57129.1164.7-19.932.7000111
223G39.2Very low41.6Very low44 Ų44119.4 Ų119.445%0.45472%0.718SS.*PPolyproline II helixtrans-61.6143.9173.600000111.6D221D221-G223 PolarHBondContact O-N 3.06Å
224A40.3Very low41.5Very low83 Ų83118.1 Ų118.169%0.68672%0.719SS**PPolyproline II helixtrans-57.6140.2-175.800000112.8G226A224-G226 PolarHBondContact O-N 2.69Å
225S42.3Very low41.3Very low125 Ų125116.4 Ų116.487%0.87470%0.701SS**PPolyproline II helixtrans-59.7131.8174.2-67.50000111
226G38.3Very low41.3Very low48 Ų48115.8 Ų115.850%0.49570%0.697SS.*PPolyproline II helixtrans-62146.6177.500000112.4A224A224-G226 PolarHBondContact O-N 2.69Å
227A40.4Very low41.2Very low90 Ų90116 Ų11674%0.74470%0.697SS**PPolyproline II helixtrans-59148.5179.700000112.2
228H42.7Very low40.8Very low189 Ų189115.2 Ų115.288%0.87569%0.69SS**PPolyproline II helixtrans-67.7137.1177.9-13781.1000110.4
229G37.6Very low40.7Very low34 Ų34115.2 Ų115.235%0.35169%0.69SS.*PPolyproline II helixtrans-68.2144.5178.400000112
230F38.8Very low40.7Very low192 Ų192115.8 Ų115.884%0.84269%0.692SS**PPolyproline II helixtrans-62.6147177.1-63.5-79.3000111.9
231I41.9Very low40.5Very low169 Ų169115.8 Ų115.887%0.86769%0.692SS**PPolyproline II helixtrans-73.4129.6175-61.8171.7000108.1
232G38.7Very low40.6Very low38 Ų38115.9 Ų115.939%0.39270%0.697SS.*PPolyproline II helixtrans-69149.8176.800000112.3
233E40.4Very low40.6Very low174 Ų174117 Ų11781%0.81370%0.702SS**PPolyproline II helixtrans-67.4152.2-174.5-61-170.9140.600113G235E233-G235 PolarHBondContact O-N 3.39Å
234P44.3Very low40.7Very low127 Ų127117.4 Ų117.483%0.82571%0.706SS**PPolyproline II helixtrans-61.4130.9174.2-21.633.8000112
235G38.6Very low40.9Very low49 Ų49122.8 Ų122.851%0.50572%0.717SS.*PPolyproline II helixtrans-62.214517700000112.8E233E233-G235 PolarHBondContact O-N 3.39Å
236V39.8Very low40.9Very low123 Ų123126.4 Ų126.475%0.74572%0.717SS**PPolyproline II helixtrans-59.9142.6-179.6-71.60000112.5G238V236-G238 PolarHBondContact O-N 2.86Å
237K43.2Very low41.1Very low208 Ų208127.2 Ų127.290%0.90473%0.725SS**PPolyproline II helixtrans-69.1124.3-179.9-174.8-179.5179.7-1780110
238G39.8Very low41.2Very low42 Ų42130.8 Ų130.843%0.43373%0.732SS.*PPolyproline II helixtrans-59.6152.6179.600000113.7V236V236-G238 PolarHBondContact O-N 2.86Å
239E41.6Very low41.1Very low187 Ų187133.2 Ų133.287%0.87473%0.733SS**PPolyproline II helixtrans-68.4157.7-176.9-60.9-170.4139.800112.8
240K42.6Very low41.4Very low209 Ų209134.7 Ų134.791%0.90975%0.748SS**PPolyproline II helixtrans-81.9120.9-177.3-171.7-178.8178.7-173.70109.9
241G38.9Very low41.5Very low41 Ų41133 Ų13342%0.42375%0.748SS.*PPolyproline II helixtrans-54.8146.9179.700000113.9
242V40.3Very low41.6Very low142 Ų142130.9 Ų130.986%0.86175%0.745SS**PPolyproline II helixtrans-67.3148.2-178.3-122.50000111.6G244V242-G244 PolarHBondContact O-N 2.9Å
243V42.9Very low41.8Very low143 Ų143132.6 Ų132.687%0.86776%0.763SS**PPolyproline II helixtrans-75124.5175.6-178.90000109
244G40.8Very low41.8Very low52 Ų52134 Ų13454%0.53677%0.769SS.*PPolyproline II helixtrans-65.1150179.700000113.2V242V242-G244 PolarHBondContact O-N 2.9Å
245E45.2Very low41.6Very low196 Ų196139.4 Ų139.492%0.91677%0.773SS**PPolyproline II helixtrans-64.6150.1-177.4-66.5-167.7120.100113.4G247E245-G247 PolarHBondContact O-N 2.88Å
246K42.7Very low41.8Very low202 Ų202140.3 Ų140.388%0.87878%0.783SS**PPolyproline II helixtrans-78.4116.9-178.5-171.6177.7-175.4177.90109.8
247G41.7Very low41.8Very low65 Ų65143.9 Ų143.967%0.6779%0.791SS**PPolyproline II helixtrans-54.2140.6-178.900000113.7E245E245-G247 PolarHBondContact O-N 2.88Å
248N42.7Very low41.5Very low165 Ų165143.6 Ų143.688%0.88279%0.79SS**PPolyproline II helixtrans-62146.1-178.5-71.6-25.2000112.1
249R41.2Very low41.6Very low240 Ų240144.8 Ų144.891%0.90680%0.802SS**PPolyproline II helixtrans-72.7125.5175.2-176.5178.8-175.6165.61.3109
250G43.3Very low41.3Very low64 Ų64145.5 Ų145.566%0.6681%0.806SS**PPolyproline II helixtrans-63.3150.9175.800000112.9
251D41.4Very low41.2Very low156 Ų156145 Ų14583%0.83480%0.804SS**PPolyproline II helixtrans-65.8152.6-173.4-60-71.1000113.5G253D251-G253 PolarHBondContact O-N 3.08Å
252P44.3Very low41.2Very low126 Ų126146 Ų14682%0.81881%0.814SS**PPolyproline II helixtrans-64.6132.3173.8-1831.9000111.5
253G42.6Very low40.9Very low74 Ų74148.9 Ų148.976%0.76382%0.818SS**PPolyproline II helixtrans-63.2153174.500000113D251D251-G253 PolarHBondContact O-N 3.08Å
254E40.8Very low40.7Very low202 Ų202147.2 Ų147.294%0.94482%0.819SS**PPolyproline II helixtrans-62.2151.2-176.3-64.5-170.4126.400113.3G256E254-G256 PolarHBondContact O-N 2.8Å
255R39.8Very low40.6Very low242 Ų242148.1 Ų148.191%0.91383%0.828SS**  trans-79.6113.9-178.8-177.6-176.1-63.3175.61.4109.9
256G43.3Very low40Very low68 Ų68147.8 Ų147.870%0.70183%0.829SS**  trans-56.6154173.900000113.5E254E254-G256 PolarHBondContact O-N 2.8Å
257E38.3Very low39.8Very low198 Ų198146.5 Ų146.593%0.92583%0.826SS**  trans-66159.7-173.4-65.9-164119.700114.1G259E257-G259 PolarHBondContact O-N 3.07Å
258K37.1Very low39.7Very low201 Ų201146.7 Ų146.787%0.87483%0.828SS**  trans-84.4111.2-170.5-178.8-173.8175.9-170.60110.9
259G42.6Very low39.3Very low67 Ų67147 Ų14769%0.69182%0.824SS**PPolyproline II helixtrans-59.7148.3171.200000113.2E257E257-G259 PolarHBondContact O-N 3.07Å
260E35.9Very low39.2Very low203 Ų203145 Ų14595%0.94982%0.822SS**PPolyproline II helixtrans-74.9168.5178.6-65.6-158.5116.100113.3
261K39.6Very low39Very low199 Ų199145 Ų14587%0.86582%0.822SS**PPolyproline II helixtrans-93.9122.1-156.8179.6-174.2175-162.50113.3
262G38.3Very low38.8Very low62 Ų62143.4 Ų143.464%0.63982%0.823SS**PPolyproline II helixtrans-85.6164.3157.200000112.9
263E34.7Very low38.7Very low202 Ų202147.5 Ų147.594%0.94482%0.822SS**  trans-86.5-177.8-168.6-60.6-173.2120.900114.6
264A39.3Very low38.7Very low107 Ų107147.4 Ų147.488%0.88482%0.821SS**  trans-132.8152.5-160.200000115.3
265G37.2Very low38.2Very low71 Ų71143.9 Ų143.973%0.73281%0.809SS**  trans142143.3174.200000111.2
266M32.5Very low38.2Very low190 Ų190137.5 Ų137.594%0.93681%0.808SS**  cis-146.8-162.9-2.9-104.6-171.675.200111
267E39Very low37.9Very low175 Ų175138 Ų13882%0.81881%0.812SS**  trans-100.9167.4-152.6179.6170.5-146.200116.8
268G39.6Very low37.6Very low69 Ų69133.4 Ų133.471%0.71181%0.809SS**  trans143.787.9165.900000113.7
269E35.2Very low37.8Very low170 Ų170131.4 Ų131.479%0.79480%0.803SS**  100.290.972.2-87-92.481.900114.6
270K37.7Very low37.5Very low200 Ų200131.9 Ų131.987%0.8781%0.808SS**  trans17.2136.7138-159-179.3-168.21770122.5
271G40.3Very low37.4Very low63 Ų63130.7 Ų130.765%0.64980%0.799SS**  trans174.791.6154.900000111.8
272S36.4Very low37.3Very low123 Ų123125.2 Ų125.286%0.8680%0.8SS**  98.4127.375.261.80000112.7
273R43.3Very low37.2Very low211 Ų211125.7 Ų125.780%0.79680%0.804SS**  trans-84.9148.2-177.3168.7-178.8172.8159.52.4111.9D275R273-D275 IonicContact CZ-OD1 2.69Å; R273-D275 VanDerWaalsContact CZ-OD1 3.25Å; R273-D275 IonicContact CZ-OD2 3.09Å; R273-D275 IonicContact NE-OD1 2.82Å; R273-D275 PolarHBondContact NE-OD1 3.01Å; R273-D275 IonicContact NE-OD2 3.25Å; R273-D275 PolarHBondContact NE-OD2 3.19Å; R273-D275 VanDerWaalsContact NE-OD2 3.09Å; R273-D275 IonicContact NH2-OD1 2.89Å; R273-D275 PolarHBondContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 2.96Å
274G41.9Very low37Very low72 Ų72124.7 Ų124.774%0.74280%0.804SS**  trans-132.6148161.800000110.2
275D31.1Very low36.9Very low128 Ų128127.8 Ų127.868%0.68481%0.806SS**  trans-107.4-173.3-172.4-72.6-74.8000112.9R273R273-D275 IonicContact CZ-OD1 2.69Å; R273-D275 VanDerWaalsContact CZ-OD1 3.25Å; R273-D275 IonicContact CZ-OD2 3.09Å; R273-D275 IonicContact NE-OD1 2.82Å; R273-D275 PolarHBondContact NE-OD1 3.01Å; R273-D275 IonicContact NE-OD2 3.25Å; R273-D275 PolarHBondContact NE-OD2 3.19Å; R273-D275 VanDerWaalsContact NE-OD2 3.09Å; R273-D275 IonicContact NH2-OD1 2.89Å; R273-D275 PolarHBondContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 2.96Å
276A38.4Very low37Very low108 Ų108127.6 Ų127.689%0.89380%0.804SS**  trans-81.5163.9-159.800000117.1
277G37.6Very low36.9Very low78 Ų78126.8 Ų126.880%0.80480%0.803SS**  trans-148.4156.6166.100000110.3
278A32.9Very low36.8Very low103 Ų103124.3 Ų124.385%0.85180%0.802SS**  trans-136160.1-16000000116.4
279E39.5Very low36.9Very low159 Ų159124.6 Ų124.674%0.74380%0.804SS**  trans48.1127.4156.9-160.1177.4162.800121K281E279-K281 WeakPolarHBondContact OE1-CE 3.4Å; E279-K281 IonicContact OE1-NZ 3.14Å; E279-K281 PolarHBondContact OE1-NZ 3.33Å
280G36.9Very low37Very low77 Ų77122.7 Ų122.779%0.79481%0.807SS**  trans-159.8143.9163.700000110.8
281K33.5Very low37Very low177 Ų177124.6 Ų124.677%0.7781%0.809SS**  trans-115.2126.5-164.4-69.4176179.8151.80115E279E279-K281 WeakPolarHBondContact OE1-CE 3.4Å; E279-K281 IonicContact OE1-NZ 3.14Å; E279-K281 PolarHBondContact OE1-NZ 3.33Å
282G38Very low37Very low85 Ų85125.1 Ų125.188%0.87681%0.814SS**  trans73.6138.5133.900000120.3
283G36.5Very low36.9Very low71 Ų71126.5 Ų126.573%0.73281%0.812SS**  trans157.8107.4159.600000117.4
284L30.3Very low37Very low181 Ų181122.2 Ų122.295%0.94881%0.811SS**  trans71.1150.9151.4-53.1177.6000120.6
285D37.9Very low37Very low172 Ų172122 Ų12292%0.9281%0.809SS**  trans-89.4156.3179.2-65.4-70.9000113.6
286G38.5Very low37.3Very low67 Ų67122.2 Ų122.269%0.69182%0.818SS**  trans135.7106.2140.900000118.8
287L29.9Very low37.5Very low174 Ų174126.7 Ų126.791%0.91182%0.817SS**  trans67.6163.7155.8-48.1173.1000117.7
288P37.3Very low37.8Very low122 Ų122126.4 Ų126.479%0.79281%0.814SS**  cis-110.2172.1-27.714.78.2000111.9
289G41.1Very low37.9Very low75 Ų75130.5 Ų130.577%0.77382%0.816SS**PPolyproline II helixtrans-65.4139.1-174.400000114.9
290P38.8Very low38.1Very low130 Ų130132.3 Ų132.384%0.84482%0.821SS**PPolyproline II helixtrans-76.8158.3-17631-35.9000114.3
291R36.9Very low38.5Very low240 Ų240131.9 Ų131.991%0.90682%0.817SS**PPolyproline II helixtrans-64.4130.9170.9178-179-177.4167.80.2110.2
292G40.3Very low38.7Very low75 Ų75131 Ų13177%0.77382%0.821SS**PPolyproline II helixtrans-61.7141-174.200000114.9
293D35.3Very low38.9Very low152 Ų152133.3 Ų133.381%0.81382%0.818SS**PPolyproline II helixtrans-76.9161-176.3-73.3-62.3000114.4
294P44.7Very low39.3Very low120 Ų120132.6 Ų132.678%0.77981%0.811SS**PPolyproline II helixtrans-58.2143.7173.3-23.935000113.5
295G41.9Very low39.7Very low68 Ų68129.5 Ų129.570%0.70180%0.801SS**PPolyproline II helixtrans-59.5146.7-176.100000114.1
296P37.5Very low40.1Very low132 Ų132127.2 Ų127.286%0.85780%0.796SS**PPolyproline II helixtrans-65.3142.6-172.226.1-34.8000112.8G298P296-G298 PolarHBondContact O-N 3.39Å
297K42Very low40.4Very low202 Ų202127.4 Ų127.488%0.87880%0.797SS**PPolyproline II helixtrans-59.1122.1170178178.4179.3178.40109.4E299K297-E299 PolarHBondContact O-N 2.97Å
298G44Very low40.8Very low72 Ų72129 Ų12974%0.74280%0.797SS**PPolyproline II helixtrans-50.1132.8-175.700000113.2P296P296-G298 PolarHBondContact O-N 3.39Å
299E36Very low41Very low189 Ų189129.8 Ų129.888%0.88380%0.8SS**PPolyproline II helixtrans-68.2148-171.5-64.1-176.6127.500112.3K297 G301K297-E299 PolarHBondContact O-N 2.97Å; E299-G301 PolarHBondContact O-N 3.34Å; E299-G301 VanDerWaalsContact O-N 3.09Å
300K43.4Very low41.1Very low197 Ų197128.8 Ų128.886%0.85779%0.79SS**  trans-71.6104172.8178-169.4174.6-170.80107.8D302K300-D302 PolarHBondContact O-N 3.04Å
301G44Very low41.3Very low69 Ų69128.9 Ų128.971%0.71179%0.79SS**  trans-45.9133.4-17800000113.2E299E299-G301 PolarHBondContact O-N 3.34Å; E299-G301 VanDerWaalsContact O-N 3.09Å
302D37.9Very low41.6Very low158 Ų158121 Ų12185%0.84579%0.785SS**  trans-57.9148.8-168.5-75.3-58.2000114K300 G304K300-D302 PolarHBondContact O-N 3.04Å; D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 VanDerWaalsContact O-N 3.14Å
303T42.6Very low41.6Very low134 Ų134120.1 Ų120.182%0.82278%0.775SS**  trans-68.5111.7164.6-56.60000107.6
304G43.9Very low42Very low56 Ų56119 Ų11958%0.57778%0.776SS**PPolyproline II helixtrans-50.9143.9-179.700000112D302D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 VanDerWaalsContact O-N 3.14Å
305P40.7Very low42Very low115 Ų115123 Ų12375%0.74778%0.782SS**PPolyproline II helixtrans-58.5145.8-169.823.3-34.3000111.7G307P305-G307 PolarHBondContact O-N 3.42Å
306P46.3Very low42.1Very low125 Ų125122.4 Ų122.481%0.81278%0.775SS**PPolyproline II helixtrans-51.3127.5173.8-26.434.8000110.7F308P306-F308 PolarHBondContact O-N 2.9Å
307G43.1Very low42.3Very low70 Ų70125.3 Ų125.372%0.72278%0.777SS**PPolyproline II helixtrans-56.9131.1-17800000111P305 T309P305-G307 PolarHBondContact O-N 3.42Å; G307-T309 PolarHBondContact O-N 3.05Å
308F38.8Very low42.2Very low208 Ų208123.9 Ų123.991%0.91278%0.778SS**PPolyproline II helixtrans-53.2125.6-178.7-69-84.8000111.1P306 G310P306-F308 PolarHBondContact O-N 2.9Å; F308-G310 PolarHBondContact O-N 3.38Å; F308-G310 VanDerWaalsContact O-N 3.16Å
309T42.7Very low42.2Very low139 Ų139122.7 Ų122.785%0.85377%0.765SS**PPolyproline II helixtrans-54.2121.4167.5-50.90000108.3G307G307-T309 PolarHBondContact O-N 3.05Å
310G42.4Very low42.4Very low54 Ų54119.1 Ų119.156%0.55776%0.761SS**PPolyproline II helixtrans-55.8148.817900000111.5F308 G312F308-G310 PolarHBondContact O-N 3.38Å; F308-G310 VanDerWaalsContact O-N 3.16Å; G310-G312 PolarHBondContact O-N 3.03Å
311P43.4Very low42.4Very low131 Ų131119.6 Ų119.685%0.85176%0.763SS**PPolyproline II helixtrans-55.8135.3178.824.8-34.1000109.8G313P311-G313 PolarHBondContact O-N 3.45Å
312G41.8Very low42.3Very low76 Ų76118.7 Ų118.778%0.78475%0.754SS**PPolyproline II helixtrans-54.2131.8178.100000110.3G310G310-G312 PolarHBondContact O-N 3.03Å
313G41.9Very low42.4Very low56 Ų56115.9 Ų115.958%0.57775%0.752SS**PPolyproline II helixtrans-53.3148.7-177.700000111.8P311 K315P311-G313 PolarHBondContact O-N 3.45Å; G313-K315 PolarHBondContact O-N 2.88Å
314P43.8Very low42.4Very low129 Ų129120.3 Ų120.384%0.83875%0.754SS**PPolyproline II helixtrans-54.3130.8-175.523.3-33.8000110.2G316P314-G316 PolarHBondContact O-N 2.65Å
315K44.1Very low42.2Very low204 Ų204119.8 Ų119.889%0.88775%0.748SS**PPolyproline II helixtrans-54.1117.9177.6178.4-178.6176.2-177.10108.5G313G313-K315 PolarHBondContact O-N 2.88Å
316G43.6Very low42.3Very low54 Ų54120.3 Ų120.356%0.55775%0.752SS**PPolyproline II helixtrans-50.1141.7-178.100000112P314P314-G316 PolarHBondContact O-N 2.65Å
317E41.4Very low42.2Very low194 Ų194120 Ų12091%0.90775%0.748SS**PPolyproline II helixtrans-56.8141.8-172.9-62.1-167.6148.500111.5G319E317-G319 PolarHBondContact O-N 2.94Å
318L41.4Very low42.1Very low172 Ų172119.4 Ų119.490%0.90174%0.741SS**  trans-68.4105.2178.9-178.565.8000108.8S320L318-S320 PolarHBondContact O-N 2.75Å
319G42.5Very low42.2Very low46 Ų46119.6 Ų119.647%0.47474%0.742SS.*  trans-42.8131.5-179.300000112.3E317 K321E317-G319 PolarHBondContact O-N 2.94Å; G319-K321 PolarHBondContact O-N 2.94Å
320S41Very low42.3Very low114 Ų114122.7 Ų122.780%0.79774%0.744SS**  trans-56.7136-167.260.10000111.3L318 G322L318-S320 PolarHBondContact O-N 2.75Å; S320-G322 PolarHBondContact O-N 2.84Å
321K43.2Very low42.3Very low208 Ų208122.6 Ų122.690%0.90474%0.743SS**  trans-64.4100.9-176.4-177.1176.4-179.3176.40109.2G319G319-K321 PolarHBondContact O-N 2.94Å
322G41.4Very low42.3Very low49 Ų49122 Ų12251%0.50574%0.741SS.*  trans-42.6136.8-174.100000113.3S320S320-G322 PolarHBondContact O-N 2.84Å
323A39.7Very low42.7Very low99 Ų99130.1 Ų130.182%0.81875%0.748SS**  trans-52.1140.3-170.500000111.7G325A323-G325 PolarHBondContact O-N 2.7Å
324R42.5Very low42.9Very low228 Ų228129.8 Ų129.886%0.8675%0.745SS**  trans-62.6106.3175.8178.4179.3176.4165.9-0.3108.4
325G40.9Very low43.1Very low44 Ų44130.5 Ų130.545%0.45475%0.746SS.*  trans-49146.9177.100000112A323 T327A323-G325 PolarHBondContact O-N 2.7Å; G325-T327 PolarHBondContact O-N 2.88Å
326P42.9Very low43.5Very low127 Ų127130.2 Ų130.283%0.82575%0.745SS**  trans-56.1136-168.322.4-33.9000111.3G328P326-G328 PolarHBondContact O-N 2.92Å
327T43.6Very low43.8Very low119 Ų119130.3 Ų130.373%0.7375%0.746SS**  trans-53.1115.2178.3-59.70000109.5G325 K329G325-T327 PolarHBondContact O-N 2.88Å; T327-K329 PolarHBondContact O-N 2.83Å
328G41.3Very low44.2Very low56 Ų56126.5 Ų126.558%0.57774%0.741SS**PPolyproline II helixtrans-50.5132.7-173.900000111.7P326 K330P326-G328 PolarHBondContact O-N 2.92Å; G328-K330 PolarHBondContact O-N 2.86Å; G328-K330 VanDerWaalsContact O-N 3.12Å
329K40.9Very low44.7Very low213 Ų213128.1 Ų128.193%0.92674%0.741SS**PPolyproline II helixtrans-52122.1-179.3-69.7179.3-179.9175.30108.6T327 G331T327-K329 PolarHBondContact O-N 2.83Å; K329-G331 PolarHBondContact O-N 2.84Å
330K44Very low45Very low204 Ų204128.6 Ų128.689%0.88775%0.746SS**PPolyproline II helixtrans-52.2118.7179.8-178.4175.9-177.5173.90108.7G328 S332G328-K330 PolarHBondContact O-N 2.86Å; G328-K330 VanDerWaalsContact O-N 3.12Å; K330-S332 PolarHBondContact O-N 2.87Å
331G43.1Very low45.5Very low52 Ų52131.9 Ų131.954%0.53675%0.749SS.*PPolyproline II helixtrans-48.5138.9-175.500000111.5K329 R333K329-G331 PolarHBondContact O-N 2.84Å; G331-R333 PolarHBondContact O-N 2.89Å
332S43.8Very low45.8Very low118 Ų118126 Ų12683%0.82574%0.738SS**PPolyproline II helixtrans-52.6140.4178.347.40000109.6K330 G334K330-S332 PolarHBondContact O-N 2.87Å; S332-G334 PolarHBondContact O-N 2.88Å
333R49.9Very low46.6Very low247 Ų247129.6 Ų129.693%0.93275%0.751SS**  trans-58.9111.4177.4-179.9179-176.5166.81.4107.3G331 V335G331-R333 PolarHBondContact O-N 2.89Å; R333-V335 PolarHBondContact O-N 2.86Å
334G45.5Very low47.7Very low49 Ų49133.7 Ų133.751%0.50575%0.753SS.*  trans-47.9137.7-17800000110.8S332 K336S332-G334 PolarHBondContact O-N 2.88Å; G334-K336 PolarHBondContact O-N 2.85Å
335V47.8Very low49.2Very low143 Ų143127.6 Ų127.687%0.86774%0.741SS**  trans-47.7128.7-175.7-174.30000108.5R333 G337R333-V335 PolarHBondContact O-N 2.86Å; V335-G337 PolarHBondContact O-N 3Å
336K53.5Low51.2Low198 Ų198128.3 Ų128.386%0.86174%0.738SS**  trans-55.1114.5176179.4-174.9175.7-173.10106.5G334 S338G334-K336 PolarHBondContact O-N 2.85Å; K336-S338 PolarHBondContact O-N 2.86Å
337G50.3Low53.4Low56 Ų56127.8 Ų127.858%0.57772%0.724SS**  trans-49142.2-178.900000110.2V335 K339V335-G337 PolarHBondContact O-N 3Å; G337-K339 PolarHBondContact O-N 2.79Å
338S49.1Very low55.9Low114 Ų114122.3 Ų122.380%0.79769%0.691SS**  trans-46.2135.9175.535.30000109.2K336 G340K336-S338 PolarHBondContact O-N 2.86Å; S338-G340 PolarHBondContact O-N 2.53Å
339K51.1Low58.6Low206 Ų206121.1 Ų121.190%0.89668%0.675SS**  trans-55.8115.3170.1-179.5-171.4177.1-169.70105.2G337 E341G337-K339 PolarHBondContact O-N 2.79Å; K339-E341 PolarHBondContact O-N 2.98Å
340G50.2Low61.3Low57 Ų57111.2 Ų111.259%0.58863%0.633SS**  trans-50.8128.4-176.500000109.1S338 A342S338-G340 PolarHBondContact O-N 2.53Å; G340-A342 PolarHBondContact O-N 2.86Å
341E51.6Low63.9Low183 Ų183102.7 Ų102.786%0.85560%0.599SS**  trans-64.5103.4174.1-171.7169.6-178.400106.4K339 T343K339-E341 PolarHBondContact O-N 2.98Å; E341-T343 VanDerWaalsContact C-N 3.34Å; E341-T343 PolarHBondContact O-N 2.92Å
342A49.3Very low66.5Low83 Ų83100.2 Ų100.269%0.68657%0.573SS**  trans-68.8101173.100000105.8G340 Q344G340-A342 PolarHBondContact O-N 2.86Å; A342-Q344 PolarHBondContact O-N 2.88Å
343T57.8Low69.1Low126 Ų12695.6 Ų95.677%0.77354%0.539SS*.  trans-45.7111.3171.1-50.40000107.1E341 V345E341-T343 VanDerWaalsContact C-N 3.34Å; E341-T343 PolarHBondContact O-N 2.92Å; T343-V345 VanDerWaalsContact C-N 3.29Å; T343-V345 PolarHBondContact O-N 3.12Å
344Q63.1Low71.4Confident184 Ų18484 Ų8486%0.8650%0.496SS*.  trans-69.694.4-176-72.5-174.5-20.700107.5A342 P346A342-Q344 PolarHBondContact O-N 2.88Å; Q344-P346 VanDerWaalsContact O-CD 3.31Å; Q344-P346 WeakPolarHBondContact O-CD 3.33Å
345V73.8Confident73.8Confident101 Ų10183.6 Ų83.661%0.61249%0.485SS*.  trans-54.1120.7169.7-179.90000106.1T343 Q347T343-V345 VanDerWaalsContact C-N 3.29Å; T343-V345 PolarHBondContact O-N 3.12Å; V345-Q347 PolarHBondContact O-N 2.91Å
346P83.1Confident76Confident58 Ų5883.9 Ų83.938%0.37748%0.475SS..  trans-57.4117.3177.1-24.834.5000109.1Q344 A389 L471 P474Q344-P346 VanDerWaalsContact O-CD 3.31Å; Q344-P346 WeakPolarHBondContact O-CD 3.33Å; P346-A389 HydrophobicContact CB-CB 3.91Å; P346-L471 HydrophobicContact CB-CD2 3.99Å; P346-P474 HydrophobicContact CB-CB 4.09Å; P346-P474 HydrophobicContact CG-CB 3.84Å; P346-P474 HydrophobicContact CG-CG 4.46Å
347Q89.6Confident78Confident117 Ų11776.8 Ų76.855%0.54745%0.449SS..  trans-105.2140.3169.7-68.5-179.9-1200107V345 Q375V345-Q347 PolarHBondContact O-N 2.91Å; Q347-Q375 WeakPolarHBondContact O-CG 3.25Å
348S95.4Very high80.1Confident3 Ų378.4 Ų78.42%0.02144%0.44CS..  trans-162.1100.3-178.6173.30000105.8D377 Y393 F470 L471S348-D377 WeakPolarHBondContact CA-OD2 3.24Å; S348-D377 WeakPolarHBondContact CB-OD2 3.27Å; S348-D377 PolarHBondContact OG-OD2 3.03Å; S348-Y393 WeakPolarHBondContact CB-OH 3.46Å; S348-Y393 WeakPolarHBondContact OG-CE1 3.42Å; S348-Y393 PolarHBondContact OG-OH 3.09Å; S348-F470 CarbonylContact O-C 3.15Å; S348-F470 WeakPolarHBondContact O-CA 3.31Å; S348-L471 PolarHBondContact O-N 3.38Å
349A96.9Very high82.3Confident31 Ų3173.9 Ų73.926%0.25641%0.408SS..EExtended strand (participates in β ladder)trans-149.7147.4-17400000112.2Q375 G469 F470A349-Q375 PolarHBondContact O-OE1 3.41Å; A349-G469 CarbonylContact C-O 3.59Å; A349-G469 WeakPolarHBondContact CA-O 3.19Å; A349-F470 HydrophobicContact CB-CB 3.83Å
350F98.3Very high84.5Confident6 Ų666.7 Ų66.73%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-146.4156.8170.476.2-76.9000111.6S372 N373 Y378 F385 F395 F467 S468 G469F350-S372 CarbonylContact C-O 3.57Å; F350-S372 VanDerWaalsContact CA-O 3.26Å; F350-S372 WeakPolarHBondContact CA-O 3.38Å; F350-N373 HydrophobicContact CB-CB 4.44Å; F350-Y378 HydrophobicContact CB-CG 4.25Å; F350-Y378 HydrophobicContact CD2-CD1 4.14Å; F350-Y378 AromaticContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CE2 4.4Å; F350-Y378 AromaticContact CD2-CG 3.56Å; F350-Y378 HydrophobicContact CD2-CG 3.56Å; F350-Y378 AromaticContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CE2 4.18Å; F350-Y378 HydrophobicContact CE2-CG 4.08Å; F350-Y378 VanDerWaalsContact CG-CB 3.48Å; F350-Y378 HydrophobicContact CG-CD2 4.25Å; F350-Y378 AromaticContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CZ-CD2 4.24Å; F350-F385 HydrophobicContact CD1-CB 4.35Å; F350-F385 AromaticContact CD1-CD2 3.34Å; F350-F385 HydrophobicContact CD1-CD2 3.34Å; F350-F385 AromaticContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CG 4.09Å; F350-F385 HydrophobicContact CE1-CB 3.77Å; F350-F385 AromaticContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CD2 3.45Å; F350-F385 VanDerWaalsContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CE2 4.23Å; F350-F385 AromaticContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CG-CD2 4.36Å; F350-F385 HydrophobicContact CZ-CB 4.13Å; F350-F395 HydrophobicContact CE1-CD1 4.22Å; F350-F395 AromaticContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CZ-CD1 4.29Å; F350-F395 HydrophobicContact CZ-CE1 4.31Å; F350-F467 AromaticContact CE2-CD1 3.69Å; F350-F467 HydrophobicContact CE2-CD1 3.69Å; F350-F467 AromaticContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CG 4.18Å; F350-F467 HydrophobicContact CE2-CZ 4.44Å; F350-F467 AromaticContact CZ-CD1 3.92Å; F350-F467 HydrophobicContact CZ-CD1 3.92Å; F350-F467 AromaticContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE2 4.34Å; F350-F467 HydrophobicContact CZ-CG 4.42Å; F350-F467 AromaticContact CZ-CZ 3.83Å; F350-F467 HydrophobicContact CZ-CZ 3.83Å; F350-S468 WeakPolarHBondContact O-CA 3.44Å; F350-G469 WeakPolarHBondContact CD1-O 3.26Å; F350-G469 PolarHBondContact N-O 3.34Å; F350-G469 PolarHBondContact O-N 3.22Å
351S98.4Very high86.7Confident25 Ų2566.2 Ų66.218%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-147.8122.7171.4176.70000107.5L371 S372 S468S351-L371 WeakPolarHBondContact O-CB 3.45Å; S351-L371 PolarHBondContact O-N 3.16Å; S351-S372 PolarHBondContact N-O 2.82Å; S351-S372 PolarHBondContact O-N 2.85Å; S351-S372 VanDerWaalsContact O-N 3.16Å; S351-S468 PolarHBondContact OG-OG 3.16Å
352A98.3Very high88.7Confident0 Ų061.8 Ų61.80%036%0.356CS..EExtended strand (participates in β ladder)trans-141.7137.5-173.700000112.1F367 K369 I370 Y378 I466 F467A352-F367 HydrophobicContact CB-CB 3.55Å; A352-F367 WeakPolarHBondContact O-CD1 3.36Å; A352-K369 WeakPolarHBondContact CA-O 3.1Å; A352-I370 HydrophobicContact CB-CD1 3.89Å; A352-Y378 HydrophobicContact CB-CD1 4.35Å; A352-Y378 HydrophobicContact CB-CE1 3.86Å; A352-I466 WeakPolarHBondContact O-CA 3.23Å; A352-F467 PolarHBondContact N-O 2.69Å; A352-F467 PolarHBondContact O-N 3.31Å
353L98.1Very high91Very high21 Ų2161.7 Ų61.711%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-98.1152.2176-72.1167.6000111.3F367 D368 K369 L371 D464 S465 I466L353-F367 CarbonylContact O-C 3.59Å; L353-F367 WeakPolarHBondContact O-CA 3.36Å; L353-D368 PolarHBondContact O-N 2.9Å; L353-K369 HydrophobicContact CB-CB 3.68Å; L353-K369 HydrophobicContact CB-CD 3.83Å; L353-K369 HydrophobicContact CB-CG 4.46Å; L353-K369 HydrophobicContact CD1-CD 4.48Å; L353-K369 PolarHBondContact N-O 2.87Å; L353-K369 WeakPolarHBondContact O-CB 3.39Å; L353-K369 PolarHBondContact O-N 3.43Å; L353-L371 HydrophobicContact CD1-CD1 3.86Å; L353-L371 HydrophobicContact CD1-CD2 3.92Å; L353-L371 HydrophobicContact CD1-CG 4.01Å; L353-L371 HydrophobicContact CG-CD1 3.87Å; L353-L371 HydrophobicContact CG-CG 4.19Å; L353-D464 HydrophobicContact CD2-CB 3.98Å; L353-S465 WeakPolarHBondContact CA-O 3.46Å; L353-I466 HydrophobicContact CD2-CB 3.66Å; L353-I466 HydrophobicContact CD2-CD1 4.29Å; L353-I466 HydrophobicContact CD2-CG1 3.96Å; L353-I466 HydrophobicContact CG-CG1 4.41Å
354L97.8Very high92.9Very high4 Ų457.1 Ų57.12%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-79.2134.5173-173.565.9000110K356 I365 F367 L457 V459 S465L354-K356 WeakPolarHBondContact CD2-O 3.48Å; L354-K356 VanDerWaalsContact CG-O 3.26Å; L354-K356 WeakPolarHBondContact CG-O 3.38Å; L354-I365 HydrophobicContact CD1-CG2 3.95Å; L354-F367 HydrophobicContact CB-CD1 3.98Å; L354-F367 HydrophobicContact CB-CE1 4.19Å; L354-L457 HydrophobicContact CD2-CD2 3.95Å; L354-L457 HydrophobicContact CD2-CG 4.4Å; L354-V459 HydrophobicContact CB-CG1 4.26Å; L354-V459 HydrophobicContact CD2-CG1 3.95Å; L354-V459 HydrophobicContact CG-CG1 3.92Å; L354-V459 WeakPolarHBondContact O-CG2 3.42Å; L354-S465 PolarHBondContact N-O 2.77Å
355S95.6Very high94.5Very high40 Ų4048.4 Ų48.428%0.2828%0.275SS..SBendtrans-88-24.9173.471.50000114.8D368S355-D368 WeakPolarHBondContact CB-OD1 3.32Å; S355-D368 VanDerWaalsContact CB-OD2 3.28Å; S355-D368 WeakPolarHBondContact CB-OD2 3.36Å; S355-D368 PolarHBondContact N-OD1 2.87Å; S355-D368 PolarHBondContact OG-OD1 2.92Å; S355-D368 PolarHBondContact OG-OD2 2.68Å
356K95.3Very high95.7Very high149 Ų14948.5 Ų48.565%0.64827%0.267SS*.SBendtrans-136.3133.3-169.6-71.6164.6-172.21710111.9L354L354-K356 WeakPolarHBondContact CD2-O 3.48Å; L354-K356 VanDerWaalsContact CG-O 3.26Å; L354-K356 WeakPolarHBondContact CG-O 3.38Å
357P95.3Very high96.4Very high49 Ų4945.8 Ų45.832%0.31825%0.249SC..SBendtrans-66.9162.6176.530.3-36.2000111.2Y458 V459P357-Y458 HydrophobicContact CB-CD2 3.54Å; P357-Y458 HydrophobicContact CB-CE2 3.9Å; P357-Y458 HydrophobicContact CB-CG 4.26Å; P357-Y458 HydrophobicContact CG-CD2 4.39Å; P357-Y458 HydrophobicContact CG-CE2 4.26Å; P357-V459 HydrophobicContact CB-CG1 4.48Å
358F94.4Very high96.7Very high90 Ų9043.6 Ų43.640%0.39524%0.241SC..SBendtrans55.356173.9-46.4-46.2000114N455 L457 Y458F358-N455 WeakPolarHBondContact CD1-O 3.27Å; F358-L457 VanDerWaalsContact CD1-O 3.31Å; F358-L457 WeakPolarHBondContact CD1-O 3.47Å; F358-L457 PolarHBondContact N-O 3.48Å; F358-Y458 HydrophobicContact CE1-CD2 4.14Å; F358-Y458 HydrophobicContact CE2-CD2 4.42Å; F358-Y458 AromaticContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CE2 4.26Å
359P95.9Very high96.8Very high18 Ų1847.7 Ų47.712%0.11726%0.258CS..PPolyproline II helixtrans-59.1157.1-178.828.1-35.8000111.9I365 V450 N455 L457P359-I365 HydrophobicContact CB-CG1 4.4Å; P359-I365 HydrophobicContact CB-CG2 4.01Å; P359-I365 HydrophobicContact CG-CD1 4.5Å; P359-I365 HydrophobicContact CG-CG1 4.04Å; P359-I365 HydrophobicContact CG-CG2 3.88Å; P359-V450 HydrophobicContact CG-CG1 4.22Å; P359-N455 PolarHBondContact O-ND2 3.37Å; P359-L457 HydrophobicContact CG-CB 4.37Å; P359-L457 HydrophobicContact CG-CD2 3.83Å
360A96.2Very high96.8Very high55 Ų5549.4 Ų49.446%0.45526%0.263SS..PPolyproline II helixtrans-56.4126.3-178.100000111.4I363A360-I363 HydrophobicContact CB-CD1 3.7Å; A360-I363 HydrophobicContact CB-CG1 3.91Å; A360-I363 WeakPolarHBondContact O-CG1 3.37Å
361P95.7Very high96.8Very high48 Ų4854.1 Ų54.131%0.31229%0.287SS..THydrogen-bonded Turntrans-80.1160.5-172.631.2-35.5000113.4I363 V450 K452P361-I363 PolarHBondContact O-N 3.44Å; P361-I363 VanDerWaalsContact O-N 3.08Å; P361-V450 CarbonylContact C-O 3.6Å; P361-V450 WeakPolarHBondContact CA-O 3.19Å; P361-V450 HydrophobicContact CB-CG1 4.35Å; P361-V450 WeakPolarHBondContact CB-O 3.36Å; P361-K452 HydrophobicContact CB-CB 4.1Å; P361-K452 HydrophobicContact CG-CB 4.22Å; P361-K452 HydrophobicContact CG-CG 4.22Å
362N94.9Very high96.7Very high90 Ų9054.9 Ų54.948%0.48129%0.292SS..THydrogen-bonded Turntrans56.616.5179.6-57-11.7000114.5V450 K452N362-V450 PolarHBondContact N-O 3.41Å; N362-K452 PolarHBondContact OD1-N 2.97Å
363I96.6Very high96.6Very high81 Ų8156.3 Ų56.342%0.41530%0.3SS..SBendtrans-129.6167.5169.571.4167.7000109.2A360 P361 I365A360-I363 HydrophobicContact CB-CD1 3.7Å; A360-I363 HydrophobicContact CB-CG1 3.91Å; A360-I363 WeakPolarHBondContact O-CG1 3.37Å; P361-I363 PolarHBondContact O-N 3.44Å; P361-I363 VanDerWaalsContact O-N 3.08Å; I363-I365 PolarHBondContact O-N 3.42Å
364P97.9Very high96.5Very high30 Ų3061.6 Ų61.620%0.19533%0.328CS..BIsolated β-bridgetrans-59.4131177.3-22.832.7000112.7K366 T382 K384 W447 L448P364-K366 PolarHBondContact O-N 2.84Å; P364-T382 VanDerWaalsContact CB-O 3.3Å; P364-T382 WeakPolarHBondContact CB-O 3.18Å; P364-K384 HydrophobicContact CB-CG 4.26Å; P364-K384 HydrophobicContact CG-CG 4.19Å; P364-W447 HydrophobicContact CB-CB 4.12Å; P364-W447 HydrophobicContact CB-CG 3.91Å; P364-W447 HydrophobicContact CG-CD2 4.38Å; P364-W447 HydrophobicContact CG-CG 4.03Å; P364-L448 WeakPolarHBondContact CA-O 3.34Å
365I98Very high96.3Very high1 Ų164.9 Ų64.91%0.00534%0.344CS..  trans-71.4127.2175.3-61.7163.6000108.8L354 P359 I363 F367 G383 L448 V450 L457L354-I365 HydrophobicContact CD1-CG2 3.95Å; P359-I365 HydrophobicContact CB-CG1 4.4Å; P359-I365 HydrophobicContact CB-CG2 4.01Å; P359-I365 HydrophobicContact CG-CD1 4.5Å; P359-I365 HydrophobicContact CG-CG1 4.04Å; P359-I365 HydrophobicContact CG-CG2 3.88Å; I363-I365 PolarHBondContact O-N 3.42Å; I365-F367 HydrophobicContact CB-CD2 4.39Å; I365-F367 HydrophobicContact CB-CE2 3.78Å; I365-F367 HydrophobicContact CB-CZ 4.44Å; I365-F367 HydrophobicContact CG2-CD2 3.93Å; I365-F367 HydrophobicContact CG2-CE2 3.43Å; I365-F367 VanDerWaalsContact CG2-CE2 3.43Å; I365-F367 HydrophobicContact CG2-CZ 3.76Å; I365-F367 PolarHBondContact O-N 2.93Å; I365-G383 VanDerWaalsContact O-CA 3.25Å; I365-G383 WeakPolarHBondContact O-CA 3.33Å; I365-L448 HydrophobicContact CD1-CB 3.9Å; I365-L448 WeakPolarHBondContact CG1-O 3.38Å; I365-L448 PolarHBondContact N-O 3.27Å; I365-V450 HydrophobicContact CD1-CB 4.07Å; I365-V450 HydrophobicContact CD1-CG1 4.42Å; I365-V450 HydrophobicContact CG1-CG1 4.44Å; I365-L457 HydrophobicContact CD1-CD2 3.93Å; I365-L457 HydrophobicContact CG2-CD2 4.26Å
366K97.9Very high96.3Very high103 Ų10365.4 Ų65.445%0.44836%0.355SS..  trans-92.494.8-178.9-56.8-170.7-173.4-164.20110.2P364 D368 I381P364-K366 PolarHBondContact O-N 2.84Å; K366-D368 PolarHBondContact O-N 3.34Å; K366-I381 WeakPolarHBondContact CD-O 3.26Å; K366-I381 WeakPolarHBondContact CE-O 3.49Å; K366-I381 PolarHBondContact NZ-O 3.5Å
367F97.9Very high96.3Very high1 Ų159 Ų590%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-78.1110.4163.3-57.4-99.1000107A352 L353 L354 I365 Y378 L448 F467A352-F367 HydrophobicContact CB-CB 3.55Å; A352-F367 WeakPolarHBondContact O-CD1 3.36Å; L353-F367 CarbonylContact O-C 3.59Å; L353-F367 WeakPolarHBondContact O-CA 3.36Å; L354-F367 HydrophobicContact CB-CD1 3.98Å; L354-F367 HydrophobicContact CB-CE1 4.19Å; I365-F367 HydrophobicContact CB-CD2 4.39Å; I365-F367 HydrophobicContact CB-CE2 3.78Å; I365-F367 HydrophobicContact CB-CZ 4.44Å; I365-F367 HydrophobicContact CG2-CD2 3.93Å; I365-F367 HydrophobicContact CG2-CE2 3.43Å; I365-F367 VanDerWaalsContact CG2-CE2 3.43Å; I365-F367 HydrophobicContact CG2-CZ 3.76Å; I365-F367 PolarHBondContact O-N 2.93Å; F367-Y378 WeakPolarHBondContact CB-OH 3.05Å; F367-Y378 PolarHBondContact N-OH 2.8Å; F367-Y378 VanDerWaalsContact N-OH 3.12Å; F367-Y378 WeakPolarHBondContact O-CE1 3.31Å; F367-Y378 PolarHBondContact O-OH 3.02Å; F367-L448 HydrophobicContact CE2-CB 4.38Å; F367-L448 HydrophobicContact CE2-CD1 3.99Å; F367-L448 HydrophobicContact CE2-CG 4.5Å; F367-L448 HydrophobicContact CZ-CD1 3.9Å; F367-F467 HydrophobicContact CD1-CB 3.94Å; F367-F467 HydrophobicContact CD2-CB 3.76Å; F367-F467 HydrophobicContact CD2-CD1 4.04Å; F367-F467 HydrophobicContact CD2-CG 4.35Å; F367-F467 HydrophobicContact CE1-CB 3.78Å; F367-F467 HydrophobicContact CE2-CB 3.58Å; F367-F467 HydrophobicContact CE2-CD1 4.07Å; F367-F467 HydrophobicContact CE2-CG 4.13Å; F367-F467 HydrophobicContact CG-CB 3.96Å; F367-F467 HydrophobicContact CZ-CB 3.62Å
368D96.7Very high96.5Very high70 Ų7056.8 Ų56.837%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-115.2-20.8-165.757.7-27.1000113.7L353 S355 K366 I370 P380L353-D368 PolarHBondContact O-N 2.9Å; S355-D368 WeakPolarHBondContact CB-OD1 3.32Å; S355-D368 VanDerWaalsContact CB-OD2 3.28Å; S355-D368 WeakPolarHBondContact CB-OD2 3.36Å; S355-D368 PolarHBondContact N-OD1 2.87Å; S355-D368 PolarHBondContact OG-OD1 2.92Å; S355-D368 PolarHBondContact OG-OD2 2.68Å; K366-D368 PolarHBondContact O-N 3.34Å; D368-I370 PolarHBondContact O-N 2.75Å; D368-P380 HydrophobicContact CB-CB 4.4Å
369K96.8Very high96.6Very high90 Ų9054 Ų5439%0.39131%0.305SS..EExtended strand (participates in β ladder)trans-77.590.2165.6-72.6172.1176.5173.30109.1A352 L353 D464A352-K369 WeakPolarHBondContact CA-O 3.1Å; L353-K369 HydrophobicContact CB-CB 3.68Å; L353-K369 HydrophobicContact CB-CD 3.83Å; L353-K369 HydrophobicContact CB-CG 4.46Å; L353-K369 HydrophobicContact CD1-CD 4.48Å; L353-K369 PolarHBondContact N-O 2.87Å; L353-K369 WeakPolarHBondContact O-CB 3.39Å; L353-K369 PolarHBondContact O-N 3.43Å; K369-D464 IonicContact NZ-OD1 2.67Å
370I97.9Very high96.7Very high67 Ų6755 Ų5534%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-69.4131.5177.2-57.6-56.4000111A352 D368 N373 Y378 P380A352-I370 HydrophobicContact CB-CD1 3.89Å; D368-I370 PolarHBondContact O-N 2.75Å; I370-N373 HydrophobicContact CG2-CB 3.62Å; I370-Y378 HydrophobicContact CD1-CD1 3.72Å; I370-Y378 HydrophobicContact CD1-CE1 3.71Å; I370-P380 HydrophobicContact CD1-CB 4.05Å; I370-P380 HydrophobicContact CD1-CG 4.11Å; I370-P380 HydrophobicContact CG1-CG 4.31Å
371L97.2Very high96.7Very high105 Ų10558.8 Ų58.855%0.5532%0.323SS..EExtended strand (participates in β ladder)trans-99.4-39.5169-65.9176.3000111.9S351 L353 I466S351-L371 WeakPolarHBondContact O-CB 3.45Å; S351-L371 PolarHBondContact O-N 3.16Å; L353-L371 HydrophobicContact CD1-CD1 3.86Å; L353-L371 HydrophobicContact CD1-CD2 3.92Å; L353-L371 HydrophobicContact CD1-CG 4.01Å; L353-L371 HydrophobicContact CG-CD1 3.87Å; L353-L371 HydrophobicContact CG-CG 4.19Å; L371-I466 HydrophobicContact CD1-CD1 3.79Å
372S97.1Very high96.7Very high40 Ų4059.5 Ų59.528%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-153145.1168.5169.40000108.8F350 S351 D374F350-S372 CarbonylContact C-O 3.57Å; F350-S372 VanDerWaalsContact CA-O 3.26Å; F350-S372 WeakPolarHBondContact CA-O 3.38Å; S351-S372 PolarHBondContact N-O 2.82Å; S351-S372 PolarHBondContact O-N 2.85Å; S351-S372 VanDerWaalsContact O-N 3.16Å; S372-D374 PolarHBondContact OG-OD1 3.16Å
373N96.3Very high96.8Very high31 Ų3155.2 Ų55.217%0.16630%0.304CS..  trans-168.347178.4-174.430.6000108.8F350 I370 Q375 G376 D377 Y378F350-N373 HydrophobicContact CB-CB 4.44Å; I370-N373 HydrophobicContact CG2-CB 3.62Å; N373-Q375 PolarHBondContact O-N 2.67Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; N373-G376 PolarHBondContact O-N 3.13Å; N373-D377 PolarHBondContact OD1-N 3.42Å; N373-Y378 PolarHBondContact ND2-O 2.91Å; N373-Y378 PolarHBondContact OD1-N 3.02Å; N373-Y378 VanDerWaalsContact OD1-N 3.08Å
374D94.1Very high96.9Very high131 Ų13153.1 Ų53.170%0.70129%0.291SS*.THydrogen-bonded Turntrans-68.2-19.4-157.1-5610.7000112.7S372S372-D374 PolarHBondContact OG-OD1 3.16Å
375Q94.3Very high96.9Very high74 Ų7451.7 Ų51.735%0.34628%0.282SS..THydrogen-bonded Turntrans-95.8-10173.7-59.884.728.300114Q347 A349 N373 D377Q347-Q375 WeakPolarHBondContact O-CG 3.25Å; A349-Q375 PolarHBondContact O-OE1 3.41Å; N373-Q375 PolarHBondContact O-N 2.67Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-D377 VanDerWaalsContact C-N 3.27Å; Q375-D377 PolarHBondContact O-N 2.86Å
376G95.3Very high96.9Very high50 Ų5054.1 Ų54.152%0.51530%0.295SS..  trans75.86.9-177.700000115.4N373 Y378N373-G376 PolarHBondContact O-N 3.13Å; G376-Y378 PolarHBondContact O-N 2.86Å
377D96.4Very high96.8Very high16 Ų1649.4 Ų49.49%0.08628%0.275CS..  trans-59.7-32.9-176.6-69.8-31000113.2S348 N373 Q375 F385 N386 S388S348-D377 WeakPolarHBondContact CA-OD2 3.24Å; S348-D377 WeakPolarHBondContact CB-OD2 3.27Å; S348-D377 PolarHBondContact OG-OD2 3.03Å; N373-D377 PolarHBondContact OD1-N 3.42Å; Q375-D377 VanDerWaalsContact C-N 3.27Å; Q375-D377 PolarHBondContact O-N 2.86Å; D377-F385 HydrophobicContact CB-CD2 3.89Å; D377-F385 HydrophobicContact CB-CE2 3.43Å; D377-F385 VanDerWaalsContact CB-CE2 3.43Å; D377-F385 HydrophobicContact CB-CZ 4.23Å; D377-N386 WeakPolarHBondContact CB-O 3.42Å; D377-N386 PolarHBondContact O-N 2.82Å; D377-N386 PolarHBondContact O-ND2 3.23Å; D377-S388 WeakPolarHBondContact OD1-CB 3.34Å; D377-S388 PolarHBondContact OD1-OG 3.47Å; D377-S388 PolarHBondContact OD2-OG 2.95Å
378Y98.3Very high96.5Very high2 Ų252.4 Ų52.41%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-91.6132.3174.4175.4-94.6000112F350 A352 F367 I370 N373 G376 P380 F385F350-Y378 HydrophobicContact CB-CG 4.25Å; F350-Y378 HydrophobicContact CD2-CD1 4.14Å; F350-Y378 AromaticContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CE2 4.4Å; F350-Y378 AromaticContact CD2-CG 3.56Å; F350-Y378 HydrophobicContact CD2-CG 3.56Å; F350-Y378 AromaticContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CE2 4.18Å; F350-Y378 HydrophobicContact CE2-CG 4.08Å; F350-Y378 VanDerWaalsContact CG-CB 3.48Å; F350-Y378 HydrophobicContact CG-CD2 4.25Å; F350-Y378 AromaticContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CZ-CD2 4.24Å; A352-Y378 HydrophobicContact CB-CD1 4.35Å; A352-Y378 HydrophobicContact CB-CE1 3.86Å; F367-Y378 WeakPolarHBondContact CB-OH 3.05Å; F367-Y378 PolarHBondContact N-OH 2.8Å; F367-Y378 VanDerWaalsContact N-OH 3.12Å; F367-Y378 WeakPolarHBondContact O-CE1 3.31Å; F367-Y378 PolarHBondContact O-OH 3.02Å; I370-Y378 HydrophobicContact CD1-CD1 3.72Å; I370-Y378 HydrophobicContact CD1-CE1 3.71Å; N373-Y378 PolarHBondContact ND2-O 2.91Å; N373-Y378 PolarHBondContact OD1-N 3.02Å; N373-Y378 VanDerWaalsContact OD1-N 3.08Å; G376-Y378 PolarHBondContact O-N 2.86Å; Y378-P380 HydrophobicContact CE1-CB 4.08Å; Y378-P380 WeakPolarHBondContact O-CD 3.45Å; Y378-F385 HydrophobicContact CD2-CB 4.27Å
379S97.8Very high96.3Very high32 Ų3249.8 Ų49.822%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-108.8103.9-179.1169.50000110.7I381 T382 G383 K384S379-I381 PolarHBondContact O-N 2.9Å; S379-T382 WeakPolarHBondContact CB-OG1 3.28Å; S379-T382 PolarHBondContact O-N 3.2Å; S379-T382 VanDerWaalsContact O-N 3.12Å; S379-T382 PolarHBondContact O-OG1 3.19Å; S379-T382 PolarHBondContact OG-N 2.92Å; S379-T382 PolarHBondContact OG-OG1 2.95Å; S379-G383 PolarHBondContact O-N 3.2Å; S379-K384 PolarHBondContact N-O 3.34Å; S379-K384 PolarHBondContact O-N 3.08Å
380P96.7Very high96.2Very high39 Ų3947.3 Ų47.325%0.25328%0.277SS..THydrogen-bonded Turntrans-63.7-27.5178.223.5-32.5000112.7D368 I370 Y378 T382D368-P380 HydrophobicContact CB-CB 4.4Å; I370-P380 HydrophobicContact CD1-CB 4.05Å; I370-P380 HydrophobicContact CD1-CG 4.11Å; I370-P380 HydrophobicContact CG1-CG 4.31Å; Y378-P380 HydrophobicContact CE1-CB 4.08Å; Y378-P380 WeakPolarHBondContact O-CD 3.45Å; P380-T382 VanDerWaalsContact C-N 3.26Å; P380-T382 PolarHBondContact O-N 2.97Å
381I96.3Very high96.1Very high134 Ų13444.2 Ų44.269%0.68726%0.262SS*.THydrogen-bonded Turntrans-64.6-32.9176.7-58.4174.6000111K366 S379K366-I381 WeakPolarHBondContact CD-O 3.26Å; K366-I381 WeakPolarHBondContact CE-O 3.49Å; K366-I381 PolarHBondContact NZ-O 3.5Å; S379-I381 PolarHBondContact O-N 2.9Å
382T96.9Very high96.1Very high63 Ų6341 Ų4139%0.38725%0.247SC..THydrogen-bonded Turntrans-109.4-11.8-17760.80000114.5P364 S379 P380 K384P364-T382 VanDerWaalsContact CB-O 3.3Å; P364-T382 WeakPolarHBondContact CB-O 3.18Å; S379-T382 WeakPolarHBondContact CB-OG1 3.28Å; S379-T382 PolarHBondContact O-N 3.2Å; S379-T382 VanDerWaalsContact O-N 3.12Å; S379-T382 PolarHBondContact O-OG1 3.19Å; S379-T382 PolarHBondContact OG-N 2.92Å; S379-T382 PolarHBondContact OG-OG1 2.95Å; P380-T382 VanDerWaalsContact C-N 3.26Å; P380-T382 PolarHBondContact O-N 2.97Å; T382-K384 VanDerWaalsContact C-N 3.29Å; T382-K384 PolarHBondContact O-N 3.16Å
383G97.2Very high96.1Very high0 Ų039.1 Ų39.10%023%0.234CC..THydrogen-bonded Turntrans70.122.3-174.800000114.1I365 S379 W447I365-G383 VanDerWaalsContact O-CA 3.25Å; I365-G383 WeakPolarHBondContact O-CA 3.33Å; S379-G383 PolarHBondContact O-N 3.2Å; G383-W447 WeakPolarHBondContact O-CB 3.32Å
384K98Very high96.2Very high36 Ų3638.1 Ų38.116%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-124.8134.5-171.4-69.6-171163.3-167.10112.2P364 S379 T382 W447P364-K384 HydrophobicContact CB-CG 4.26Å; P364-K384 HydrophobicContact CG-CG 4.19Å; S379-K384 PolarHBondContact N-O 3.34Å; S379-K384 PolarHBondContact O-N 3.08Å; T382-K384 VanDerWaalsContact C-N 3.29Å; T382-K384 PolarHBondContact O-N 3.16Å; K384-W447 HydrophobicContact CD-CD2 4.41Å; K384-W447 HydrophobicContact CD-CE3 3.98Å; K384-W447 HydrophobicContact CD-CZ3 4.34Å; K384-W447 VanDerWaalsContact CE-CE3 3.49Å; K384-W447 HydrophobicContact CG-CB 4.07Å; K384-W447 HydrophobicContact CG-CD2 4.18Å; K384-W447 HydrophobicContact CG-CE3 4.02Å; K384-W447 HydrophobicContact CG-CG 4.24Å
385F98.3Very high96.4Very high0 Ų031.9 Ų31.90%020%0.195CC..EExtended strand (participates in β ladder)trans-84.1138.8160.7174.3-97.3000109.9F350 D377 Y378 C387 Y393 F395 L440 Q445 V446F350-F385 HydrophobicContact CD1-CB 4.35Å; F350-F385 AromaticContact CD1-CD2 3.34Å; F350-F385 HydrophobicContact CD1-CD2 3.34Å; F350-F385 AromaticContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CG 4.09Å; F350-F385 HydrophobicContact CE1-CB 3.77Å; F350-F385 AromaticContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CD2 3.45Å; F350-F385 VanDerWaalsContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CE2 4.23Å; F350-F385 AromaticContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CG-CD2 4.36Å; F350-F385 HydrophobicContact CZ-CB 4.13Å; D377-F385 HydrophobicContact CB-CD2 3.89Å; D377-F385 HydrophobicContact CB-CE2 3.43Å; D377-F385 VanDerWaalsContact CB-CE2 3.43Å; D377-F385 HydrophobicContact CB-CZ 4.23Å; Y378-F385 HydrophobicContact CD2-CB 4.27Å; F385-C387 HydrophobicContact CE1-CB 4.13Å; F385-Y393 HydrophobicContact CE1-CD1 4.18Å; F385-Y393 AromaticContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE2-CE1 4.31Å; F385-Y393 HydrophobicContact CZ-CD1 4.01Å; F385-Y393 AromaticContact CZ-CE1 3.34Å; F385-Y393 HydrophobicContact CZ-CE1 3.34Å; F385-Y393 AromaticContact CZ-CZ 3.79Å; F385-F395 HydrophobicContact CB-CE1 4.39Å; F385-F395 AromaticContact CD1-CE1 3.82Å; F385-F395 HydrophobicContact CD1-CE1 3.82Å; F385-F395 AromaticContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CE1-CE1 4.36Å; F385-F395 AromaticContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CG-CE1 4.1Å; F385-F395 HydrophobicContact CG-CZ 4.45Å; F385-L440 HydrophobicContact CE1-CD1 4.13Å; F385-Q445 VanDerWaalsContact O-CA 3.31Å; F385-Q445 WeakPolarHBondContact O-CA 3.43Å; F385-V446 HydrophobicContact CB-CB 4.48Å; F385-V446 HydrophobicContact CD1-CB 4.31Å; F385-V446 HydrophobicContact CD1-CG2 4.4Å; F385-V446 PolarHBondContact N-O 3.46Å; F385-V446 PolarHBondContact O-N 3.48Å
386N97.2Very high96.6Very high52 Ų5229.3 Ų29.328%0.27819%0.186SC..EExtended strand (participates in β ladder)trans-116.7124.7173.8-50.1-86.6000108.7D377 S388 Q445D377-N386 WeakPolarHBondContact CB-O 3.42Å; D377-N386 PolarHBondContact O-N 2.82Å; D377-N386 PolarHBondContact O-ND2 3.23Å; N386-S388 PolarHBondContact O-N 3.49Å; N386-Q445 PolarHBondContact OD1-NE2 3.42Å
387C95.6Very high96.7Very high4 Ų427 Ų273%0.02716%0.161CC..  trans-70.9110.8177.3178.10000110.6F385 A389 Y393 L440 S441 A442 G443 D444F385-C387 HydrophobicContact CE1-CB 4.13Å; C387-A389 PolarHBondContact SG-O 3.23Å; C387-Y393 VanDerWaalsContact SG-CE2 3.55Å; C387-L440 HydrophobicContact CB-CB 4.1Å; C387-L440 HydrophobicContact CB-CD1 4.12Å; C387-S441 WeakPolarHBondContact CB-O 3.24Å; C387-S441 PolarHBondContact SG-O 3.44Å; C387-S441 VanDerWaalsContact SG-O 3.33Å; C387-A442 CarbonylContact O-C 3.48Å; C387-A442 WeakPolarHBondContact O-CA 3.45Å; C387-G443 PolarHBondContact O-N 3.29Å; C387-D444 HydrophobicContact CB-CB 4.13Å; C387-D444 WeakPolarHBondContact CB-O 3.47Å; C387-D444 PolarHBondContact N-O 3.15Å
388S92.5Very high96.7Very high64 Ų6430.8 Ų30.845%0.44818%0.178SC..SBendtrans-86.2-36.4176.149.70000113.1D377 N386D377-S388 WeakPolarHBondContact OD1-CB 3.34Å; D377-S388 PolarHBondContact OD1-OG 3.47Å; D377-S388 PolarHBondContact OD2-OG 2.95Å; N386-S388 PolarHBondContact O-N 3.49Å
389A92.8Very high96.6Very high15 Ų1530.7 Ų30.712%0.12418%0.178CC..SBendtrans-117.9128.9177.900000110.9P346 C387 Y393 L471P346-A389 HydrophobicContact CB-CB 3.91Å; C387-A389 PolarHBondContact SG-O 3.23Å; A389-Y393 WeakPolarHBondContact O-CE2 3.46Å; A389-Y393 PolarHBondContact O-OH 3.22Å; A389-Y393 VanDerWaalsContact O-OH 3.14Å; A389-L471 HydrophobicContact CB-CD2 4.03Å
390P94.9Very high96.5Very high38 Ų3829.2 Ų29.225%0.24717%0.168CC..  trans-64.4144.4176.730.1-34.7000110.4L440 E475P390-L440 WeakPolarHBondContact CA-O 3.49Å; P390-E475 HydrophobicContact CB-CB 4.31Å; P390-E475 HydrophobicContact CG-CB 4.45Å; P390-E475 WeakPolarHBondContact O-CB 2.89Å; P390-E475 PolarHBondContact O-N 3.09Å
391G95.3Very high96.3Very high2 Ų227.4 Ų27.42%0.02116%0.156CC..EExtended strand (participates in β ladder)trans158.1-171.2-178.300000115K439 L440 Y473G391-K439 WeakPolarHBondContact O-CA 3.36Å; G391-L440 PolarHBondContact N-O 2.85Å; G391-L440 PolarHBondContact O-N 3.36Å; G391-Y473 CarbonylContact C-O 3.57Å; G391-Y473 VanDerWaalsContact CA-O 3.24Å; G391-Y473 WeakPolarHBondContact CA-O 3.37Å
392T96.9Very high96.1Very high38 Ų3825.6 Ų25.623%0.23314%0.14CC..EExtended strand (participates in β ladder)trans-93.6116.1177-59.90000109.7I437 L472 Y473T392-I437 HydrophobicContact CG2-CG2 3.43Å; T392-I437 VanDerWaalsContact CG2-CG2 3.43Å; T392-L472 WeakPolarHBondContact O-CB 2.94Å; T392-L472 PolarHBondContact O-N 3.27Å; T392-Y473 HydrophobicContact CG2-CD2 4.32Å; T392-Y473 PolarHBondContact N-O 3.3Å; T392-Y473 PolarHBondContact O-N 3.14Å; T392-Y473 VanDerWaalsContact O-N 3.13Å
393Y97.7Very high95.6Very high0 Ų025.5 Ų25.50%015%0.152CC..EExtended strand (participates in β ladder)trans-104147.4178-78.1-97.6000111.5S348 F385 C387 A389 F395 I437 L438 L440 F470 L471S348-Y393 WeakPolarHBondContact CB-OH 3.46Å; S348-Y393 WeakPolarHBondContact OG-CE1 3.42Å; S348-Y393 PolarHBondContact OG-OH 3.09Å; F385-Y393 HydrophobicContact CE1-CD1 4.18Å; F385-Y393 AromaticContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE2-CE1 4.31Å; F385-Y393 HydrophobicContact CZ-CD1 4.01Å; F385-Y393 AromaticContact CZ-CE1 3.34Å; F385-Y393 HydrophobicContact CZ-CE1 3.34Å; F385-Y393 AromaticContact CZ-CZ 3.79Å; C387-Y393 VanDerWaalsContact SG-CE2 3.55Å; A389-Y393 WeakPolarHBondContact O-CE2 3.46Å; A389-Y393 PolarHBondContact O-OH 3.22Å; A389-Y393 VanDerWaalsContact O-OH 3.14Å; Y393-F395 VanDerWaalsContact CB-CE2 3.49Å; Y393-F395 HydrophobicContact CD1-CZ 4.36Å; Y393-F395 HydrophobicContact CG-CE2 4.25Å; Y393-F395 HydrophobicContact CG-CZ 4.38Å; Y393-I437 CarbonylContact O-C 3.52Å; Y393-I437 WeakPolarHBondContact O-CA 3.33Å; Y393-L438 PolarHBondContact N-O 3.37Å; Y393-L438 PolarHBondContact O-N 3.23Å; Y393-L440 HydrophobicContact CD2-CB 3.89Å; Y393-L440 HydrophobicContact CD2-CD1 3.74Å; Y393-L440 HydrophobicContact CD2-CG 3.96Å; Y393-L440 HydrophobicContact CE2-CB 4.15Å; Y393-L440 HydrophobicContact CE2-CD1 4.21Å; Y393-L440 HydrophobicContact CG-CD1 3.99Å; Y393-F470 WeakPolarHBondContact CA-O 3.38Å; Y393-F470 VanDerWaalsContact CD1-C 3.47Å; Y393-L471 HydrophobicContact CD1-CB 4.08Å; Y393-L471 HydrophobicContact CD2-CD1 3.95Å; Y393-L471 HydrophobicContact CE1-CB 3.66Å; Y393-L471 HydrophobicContact CE1-CD1 4.35Å; Y393-L471 HydrophobicContact CE2-CD1 3.7Å; Y393-L471 HydrophobicContact CG-CD1 4.41Å
394V98.1Very high95.3Very high10 Ų1030.5 Ų30.56%0.06117%0.171CC..EExtended strand (participates in β ladder)trans-103.7132.8164.2-179.10000107.8L435 I437 G469 F470 L472V394-L435 HydrophobicContact CG1-CD1 4.08Å; V394-L435 HydrophobicContact CG1-CD2 4Å; V394-L435 HydrophobicContact CG1-CG 3.86Å; V394-I437 HydrophobicContact CG2-CG1 4.29Å; V394-G469 CarbonylContact O-C 3.56Å; V394-G469 WeakPolarHBondContact O-CA 3.28Å; V394-F470 HydrophobicContact CB-CD1 4.27Å; V394-F470 HydrophobicContact CB-CE1 3.77Å; V394-F470 HydrophobicContact CB-CE2 4.08Å; V394-F470 HydrophobicContact CB-CZ 3.66Å; V394-F470 HydrophobicContact CG1-CE1 3.89Å; V394-F470 HydrophobicContact CG1-CZ 3.98Å; V394-F470 HydrophobicContact CG2-CE1 4.5Å; V394-F470 HydrophobicContact CG2-CE2 4.06Å; V394-F470 HydrophobicContact CG2-CZ 3.89Å; V394-F470 PolarHBondContact N-O 3.38Å; V394-F470 PolarHBondContact O-N 2.79Å; V394-L472 HydrophobicContact CG2-CB 4.02Å; V394-L472 HydrophobicContact CG2-CD2 3.89Å; V394-L472 HydrophobicContact CG2-CG 4.46Å
395F98.2Very high95Very high0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-119.1140.8169-66.5-89.4000109.3F350 F385 Y393 L410 L435 L436 L438 L440 V446 F467 S468F350-F395 HydrophobicContact CE1-CD1 4.22Å; F350-F395 AromaticContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CZ-CD1 4.29Å; F350-F395 HydrophobicContact CZ-CE1 4.31Å; F385-F395 HydrophobicContact CB-CE1 4.39Å; F385-F395 AromaticContact CD1-CE1 3.82Å; F385-F395 HydrophobicContact CD1-CE1 3.82Å; F385-F395 AromaticContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CE1-CE1 4.36Å; F385-F395 AromaticContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CG-CE1 4.1Å; F385-F395 HydrophobicContact CG-CZ 4.45Å; Y393-F395 VanDerWaalsContact CB-CE2 3.49Å; Y393-F395 HydrophobicContact CD1-CZ 4.36Å; Y393-F395 HydrophobicContact CG-CE2 4.25Å; Y393-F395 HydrophobicContact CG-CZ 4.38Å; F395-L410 HydrophobicContact CB-CD1 4.03Å; F395-L435 CarbonylContact O-C 3.57Å; F395-L435 WeakPolarHBondContact O-CA 3.46Å; F395-L436 PolarHBondContact N-O 3.44Å; F395-L436 PolarHBondContact O-N 3.41Å; F395-L438 HydrophobicContact CD2-CB 4.47Å; F395-L438 HydrophobicContact CD2-CD1 4.05Å; F395-L438 HydrophobicContact CD2-CG 4.47Å; F395-L438 HydrophobicContact CE2-CB 4.39Å; F395-L438 HydrophobicContact CE2-CD1 4.21Å; F395-L440 HydrophobicContact CE2-CD1 3.81Å; F395-L440 HydrophobicContact CZ-CD1 3.77Å; F395-V446 HydrophobicContact CD1-CG1 3.99Å; F395-V446 HydrophobicContact CD2-CG1 4.43Å; F395-V446 HydrophobicContact CE1-CB 3.86Å; F395-V446 HydrophobicContact CE1-CG1 3.76Å; F395-V446 HydrophobicContact CE1-CG2 4.23Å; F395-V446 HydrophobicContact CE2-CB 4.46Å; F395-V446 HydrophobicContact CE2-CG1 4.23Å; F395-V446 HydrophobicContact CE2-CG2 4.04Å; F395-V446 HydrophobicContact CG-CG1 4.32Å; F395-V446 HydrophobicContact CZ-CB 3.81Å; F395-V446 HydrophobicContact CZ-CG1 3.91Å; F395-V446 HydrophobicContact CZ-CG2 3.64Å; F395-F467 HydrophobicContact CB-CE2 4.39Å; F395-F467 HydrophobicContact CD1-CE2 4.12Å; F395-F467 AromaticContact CD1-CZ 3.99Å; F395-F467 HydrophobicContact CD1-CZ 3.99Å; F395-S468 WeakPolarHBondContact CA-O 3.35Å
396S97.8Very high94.8Very high21 Ų2130.7 Ų30.715%0.14718%0.176CC..EExtended strand (participates in β ladder)trans-141.4154.1172.4610000112L434 F467 S468S396-L434 CarbonylContact C-O 3.48Å; S396-L434 WeakPolarHBondContact CA-O 3.23Å; S396-L434 VanDerWaalsContact CB-O 3.23Å; S396-L434 WeakPolarHBondContact CB-O 3.46Å; S396-F467 WeakPolarHBondContact O-CD2 3.31Å; S396-S468 PolarHBondContact N-O 3.23Å; S396-S468 PolarHBondContact O-N 2.79Å; S396-S468 VanDerWaalsContact O-O 3.12Å
397Y97.4Very high94.7Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-138.4151.3166.768.5-110.2000110.3V399 I408 S420 A432 S433 L434 L448 I466Y397-V399 HydrophobicContact CD2-CB 4.5Å; Y397-V399 HydrophobicContact CD2-CG1 4.09Å; Y397-V399 HydrophobicContact CD2-CG2 3.74Å; Y397-V399 HydrophobicContact CE2-CG2 3.89Å; Y397-I408 HydrophobicContact CE1-CG2 4.08Å; Y397-I408 HydrophobicContact CE2-CD1 4.24Å; Y397-S420 WeakPolarHBondContact OH-CB 3.5Å; Y397-A432 HydrophobicContact CE2-CB 4.38Å; Y397-S433 WeakPolarHBondContact O-CA 3.45Å; Y397-L434 HydrophobicContact CD1-CB 3.86Å; Y397-L434 HydrophobicContact CD1-CD2 4.23Å; Y397-L434 HydrophobicContact CD2-CB 4.44Å; Y397-L434 HydrophobicContact CE1-CB 3.47Å; Y397-L434 VanDerWaalsContact CE1-CB 3.47Å; Y397-L434 HydrophobicContact CE1-CD2 3.57Å; Y397-L434 HydrophobicContact CE1-CG 4.16Å; Y397-L434 HydrophobicContact CE2-CB 4.07Å; Y397-L434 HydrophobicContact CG-CB 4.33Å; Y397-L434 PolarHBondContact N-O 2.9Å; Y397-L434 PolarHBondContact O-N 3.22Å; Y397-L448 HydrophobicContact CD1-CD1 3.66Å; Y397-L448 HydrophobicContact CD1-CD2 3.79Å; Y397-L448 HydrophobicContact CD1-CG 4.4Å; Y397-L448 HydrophobicContact CE1-CD1 4.44Å; Y397-L448 HydrophobicContact CE1-CD2 4.12Å; Y397-L448 HydrophobicContact CG-CD1 3.94Å; Y397-I466 VanDerWaalsContact CA-O 3.27Å; Y397-I466 WeakPolarHBondContact CA-O 3.37Å; Y397-I466 VanDerWaalsContact CB-O 3.31Å; Y397-I466 WeakPolarHBondContact CB-O 3.49Å
398H96.4Very high94.7Very high96 Ų9633.8 Ų33.844%0.44418%0.183SC..EExtended strand (participates in β ladder)trans-134.6118.3167.4-56.4-82.2000106.2S433 I466H398-S433 WeakPolarHBondContact ND1-CB 3.44Å; H398-S433 PolarHBondContact ND1-OG 3.49Å; H398-I466 HydrophobicContact CB-CG2 3.87Å; H398-I466 PolarHBondContact N-O 3.18Å; H398-I466 VanDerWaalsContact N-O 3.12Å; H398-I466 WeakPolarHBondContact O-CG2 3.12Å; H398-I466 PolarHBondContact O-N 3.42Å
399V96Very high94.9Very high1 Ų131 Ų311%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-139.4131.3-168.9-63.50000112.5Y397 I408 Q431 A432 L457 S465Y397-V399 HydrophobicContact CD2-CB 4.5Å; Y397-V399 HydrophobicContact CD2-CG1 4.09Å; Y397-V399 HydrophobicContact CD2-CG2 3.74Å; Y397-V399 HydrophobicContact CE2-CG2 3.89Å; V399-I408 HydrophobicContact CG2-CD1 3.45Å; V399-I408 VanDerWaalsContact CG2-CD1 3.45Å; V399-Q431 PolarHBondContact O-OE1 3.17Å; V399-A432 HydrophobicContact CG2-CB 3.96Å; V399-A432 WeakPolarHBondContact CG2-O 3.28Å; V399-A432 PolarHBondContact N-O 3.16Å; V399-A432 PolarHBondContact O-N 3.42Å; V399-L457 HydrophobicContact CB-CD1 3.65Å; V399-L457 HydrophobicContact CB-CG 4.48Å; V399-L457 HydrophobicContact CG1-CD1 4.16Å; V399-L457 HydrophobicContact CG2-CD1 3.53Å; V399-S465 WeakPolarHBondContact CA-OG 3.46Å; V399-S465 WeakPolarHBondContact CB-OG 3.16Å
400T95.6Very high95.1Very high1 Ų130.3 Ų30.31%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-70.2131175.8-56.90000109.7V429 Q431 Y458 D463 D464 S465T400-V429 HydrophobicContact CG2-CG1 3.46Å; T400-V429 VanDerWaalsContact CG2-CG1 3.46Å; T400-Q431 PolarHBondContact OG1-NE2 3.43Å; T400-Y458 HydrophobicContact CG2-CD1 4.26Å; T400-Y458 PolarHBondContact O-N 3.47Å; T400-D463 HydrophobicContact CG2-CB 3.98Å; T400-D464 PolarHBondContact N-O 2.91Å; T400-D464 PolarHBondContact OG1-O 3.08Å; T400-S465 PolarHBondContact N-OG 3.34Å
401V94.2Very high95.2Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-115.5123.3174.7-1780000108.5A406 E422 L424 D430 A432 G456V401-A406 HydrophobicContact CB-CB 4.41Å; V401-A406 HydrophobicContact CG1-CB 3.65Å; V401-A406 HydrophobicContact CG2-CB 3.8Å; V401-E422 HydrophobicContact CB-CG 4.19Å; V401-E422 HydrophobicContact CG1-CB 4.3Å; V401-E422 HydrophobicContact CG1-CG 4.26Å; V401-E422 HydrophobicContact CG2-CB 4.08Å; V401-E422 HydrophobicContact CG2-CG 3.99Å; V401-L424 HydrophobicContact CB-CD2 4.3Å; V401-L424 HydrophobicContact CG1-CD1 4.11Å; V401-L424 HydrophobicContact CG1-CD2 3.93Å; V401-L424 HydrophobicContact CG1-CG 3.95Å; V401-D430 PolarHBondContact N-O 3.42Å; V401-D430 PolarHBondContact O-N 3.01Å; V401-A432 HydrophobicContact CG2-CB 4.04Å; V401-G456 WeakPolarHBondContact CA-O 3.44Å
402R91.3Very high95.3Very high96 Ų9628.7 Ų28.736%0.36215%0.147SC..EExtended strand (participates in β ladder)trans-144.4141.3-172-166.1168.4-172.2149.54.4113R404 L424 V429 G456 Y458 D463R402-R404 PolarHBondContact O-N 3.46Å; R402-L424 VanDerWaalsContact C-CD1 3.44Å; R402-V429 HydrophobicContact CG-CG2 4Å; R402-G456 PolarHBondContact N-O 3.25Å; R402-Y458 HydrophobicContact CB-CD1 4.05Å; R402-Y458 HydrophobicContact CB-CD2 4.11Å; R402-Y458 HydrophobicContact CB-CG 3.68Å; R402-Y458 HydrophobicContact CG-CD1 4.45Å; R402-Y458 HydrophobicContact CG-CG 4.39Å; R402-D463 IonicContact CZ-OD2 3.31Å; R402-D463 IonicContact NH1-OD2 3.5Å; R402-D463 PolarHBondContact NH1-OD2 3.38Å
403G86.9Confident95.1Very high62 Ų6232.3 Ų32.364%0.63916%0.157SC*.EExtended strand (participates in β ladder)trans72.5-27.2171.400000116.9
404R89.3Confident94.9Very high105 Ų10538.5 Ų38.540%0.39619%0.19SC..EExtended strand (participates in β ladder)trans-149.6159.7170.563.2-171.5176.3-172.4-0.6110.9R402 L424 N455 G456R402-R404 PolarHBondContact O-N 3.46Å; R404-L424 VanDerWaalsContact O-CD1 3.31Å; R404-L424 WeakPolarHBondContact O-CD1 3.24Å; R404-N455 VanDerWaalsContact NE-C 3.32Å; R404-N455 PolarHBondContact NE-O 3.39Å; R404-N455 PolarHBondContact NH2-O 3.41Å; R404-G456 WeakPolarHBondContact O-CA 3.5Å
405P92.1Very high94.8Very high40 Ų4045.2 Ų45.226%0.2622%0.218SC..EExtended strand (participates in β ladder)trans-60.3154.3176.5-25.236.2000113.9E422 W454 N455 G456P405-E422 WeakPolarHBondContact CA-O 3.36Å; P405-E422 WeakPolarHBondContact CB-O 3.08Å; P405-W454 HydrophobicContact CB-CD2 3.79Å; P405-W454 HydrophobicContact CB-CE3 3.32Å; P405-W454 HydrophobicContact CB-CH2 3.71Å; P405-W454 HydrophobicContact CB-CZ2 4.2Å; P405-W454 HydrophobicContact CB-CZ3 3.27Å; P405-W454 HydrophobicContact CG-CE3 4.47Å; P405-W454 HydrophobicContact CG-CH2 4.12Å; P405-W454 HydrophobicContact CG-CZ2 4.45Å; P405-W454 HydrophobicContact CG-CZ3 4.17Å; P405-W454 CarbonylContact O-C 3.49Å; P405-W454 WeakPolarHBondContact O-CA 3.33Å; P405-N455 PolarHBondContact O-N 3.45Å; P405-G456 PolarHBondContact O-N 3.5Å
406A93.8Very high94.6Very high0 Ų049.5 Ų49.50%024%0.237CC..EExtended strand (participates in β ladder)trans-119.2143.2178.100000111.9V401 I408 R421 E422 W454V401-A406 HydrophobicContact CB-CB 4.41Å; V401-A406 HydrophobicContact CG1-CB 3.65Å; V401-A406 HydrophobicContact CG2-CB 3.8Å; A406-I408 HydrophobicContact CB-CG1 4.33Å; A406-R421 CarbonylContact O-C 3.58Å; A406-R421 WeakPolarHBondContact O-CA 3.47Å; A406-E422 HydrophobicContact CB-CB 4.37Å; A406-E422 PolarHBondContact N-O 2.86Å; A406-E422 VanDerWaalsContact N-O 3.07Å; A406-E422 PolarHBondContact O-N 2.99Å; A406-W454 CarbonylContact C-O 3.5Å; A406-W454 WeakPolarHBondContact CA-O 3.36Å
407R95.3Very high94.3Very high118 Ų11852.5 Ų52.545%0.44525%0.249SC..EExtended strand (participates in β ladder)trans-131.7104.3171.6-167.6-176.5-163.71788109.3S420 R421 V450 S451 W454R407-S420 CarbonylContact C-O 3.39Å; R407-S420 WeakPolarHBondContact CA-O 3.5Å; R407-S420 WeakPolarHBondContact CG-O 3.37Å; R407-R421 HydrophobicContact CG-CB 4.48Å; R407-V450 WeakPolarHBondContact O-CA 3.37Å; R407-S451 PolarHBondContact O-N 3.42Å; R407-W454 HydrophobicContact CB-CB 3.55Å; R407-W454 HydrophobicContact CB-CE3 4.44Å; R407-W454 HydrophobicContact CB-CG 4.23Å; R407-W454 PolarHBondContact N-O 2.91Å
408I95.6Very high94.2Very high2 Ų256 Ų561%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-107.2130-167.3-52178.4000108.2Y397 V399 A406 K419 S420 A432 E449 L457Y397-I408 HydrophobicContact CE1-CG2 4.08Å; Y397-I408 HydrophobicContact CE2-CD1 4.24Å; V399-I408 HydrophobicContact CG2-CD1 3.45Å; V399-I408 VanDerWaalsContact CG2-CD1 3.45Å; A406-I408 HydrophobicContact CB-CG1 4.33Å; I408-K419 CarbonylContact O-C 3.52Å; I408-K419 WeakPolarHBondContact O-CA 3.35Å; I408-S420 PolarHBondContact N-O 3.03Å; I408-S420 PolarHBondContact O-N 3.21Å; I408-A432 HydrophobicContact CD1-CB 4.44Å; I408-E449 CarbonylContact C-O 3.56Å; I408-E449 WeakPolarHBondContact CA-O 3.4Å; I408-L457 HydrophobicContact CD1-CD1 3.5Å; I408-L457 VanDerWaalsContact CD1-CD1 3.5Å; I408-L457 HydrophobicContact CG1-CD1 4.29Å
409S96.4Very high94Very high7 Ų757.3 Ų57.35%0.04927%0.268CS..EExtended strand (participates in β ladder)trans-114.1127.3176.5-51.70000110K416 F418 L448 E449S409-K416 PolarHBondContact OG-NZ 3.48Å; S409-F418 CarbonylContact C-O 3.58Å; S409-F418 VanDerWaalsContact CA-O 3.28Å; S409-F418 WeakPolarHBondContact CA-O 3.5Å; S409-L448 CarbonylContact O-C 3.59Å; S409-L448 WeakPolarHBondContact O-CA 3.31Å; S409-E449 PolarHBondContact N-O 3.14Å; S409-E449 PolarHBondContact O-N 3.32Å
410L97.6Very high93.8Very high0 Ų058.4 Ų58.40%028%0.276CS..EExtended strand (participates in β ladder)trans-86.4122.6163.8-168.8157.3000107.9F395 K416 Q417 F418 L434 L436 L438 V446 L448F395-L410 HydrophobicContact CB-CD1 4.03Å; L410-K416 CarbonylContact O-C 3.56Å; L410-Q417 HydrophobicContact CD2-CB 4.34Å; L410-Q417 HydrophobicContact CD2-CG 4.47Å; L410-Q417 PolarHBondContact O-N 3.17Å; L410-F418 HydrophobicContact CB-CB 4.28Å; L410-F418 PolarHBondContact N-O 3.17Å; L410-F418 PolarHBondContact O-N 3.35Å; L410-L434 HydrophobicContact CB-CD2 4.47Å; L410-L434 HydrophobicContact CD1-CD2 4.22Å; L410-L436 HydrophobicContact CD1-CD2 4.13Å; L410-L436 HydrophobicContact CD2-CD2 4.05Å; L410-L438 HydrophobicContact CD2-CD1 3.87Å; L410-V446 HydrophobicContact CD2-CG1 3.85Å; L410-V446 HydrophobicContact CG-CG1 4.4Å; L410-L448 HydrophobicContact CB-CD2 3.81Å; L410-L448 HydrophobicContact CD1-CD2 4.13Å; L410-L448 HydrophobicContact CG-CD2 3.87Å
411V97.6Very high93.5Very high3 Ų365.6 Ų65.62%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-115.7127.4-174.3-167.80000108.8K415 K416 V446 W447 E449V411-K415 WeakPolarHBondContact CA-O 3.44Å; V411-K415 WeakPolarHBondContact CG1-O 3.46Å; V411-K416 HydrophobicContact CG2-CG 4.03Å; V411-V446 CarbonylContact O-C 3.56Å; V411-V446 VanDerWaalsContact O-CA 3.27Å; V411-V446 WeakPolarHBondContact O-CA 3.32Å; V411-W447 HydrophobicContact CB-CD2 4.06Å; V411-W447 HydrophobicContact CB-CG 4.39Å; V411-W447 HydrophobicContact CB-CZ2 3.98Å; V411-W447 HydrophobicContact CG1-CD2 4.4Å; V411-W447 HydrophobicContact CG1-CH2 3.9Å; V411-W447 HydrophobicContact CG1-CZ2 3.46Å; V411-W447 VanDerWaalsContact CG1-CZ2 3.46Å; V411-W447 PolarHBondContact N-O 3.36Å; V411-W447 PolarHBondContact O-N 3.42Å; V411-E449 HydrophobicContact CG2-CB 4.42Å; V411-E449 HydrophobicContact CG2-CG 3.83Å
412A96.7Very high93.3Very high2 Ų267.5 Ų67.52%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-134.6141.9172.500000109.2N414 K415 Q417 L438 Q445 V446A412-N414 VanDerWaalsContact C-N 3.25Å; A412-N414 PolarHBondContact O-N 3.46Å; A412-K415 PolarHBondContact N-O 3.37Å; A412-K415 PolarHBondContact O-N 3.06Å; A412-Q417 HydrophobicContact CB-CG 3.63Å; A412-Q417 PolarHBondContact O-NE2 3.36Å; A412-L438 HydrophobicContact CB-CD1 4Å; A412-Q445 VanDerWaalsContact CA-O 3.31Å; A412-Q445 WeakPolarHBondContact CA-O 3.21Å; A412-V446 HydrophobicContact CB-CG1 4.43Å; A412-V446 HydrophobicContact CB-CG2 3.83Å
413R93.9Very high93Very high114 Ų11465.5 Ų65.543%0.4331%0.31SS..THydrogen-bonded Turntrans55.736.2-178-48.8-169.5171.41172113.9K415 K439 D444 Q445R413-K415 PolarHBondContact O-N 3.31Å; R413-K415 VanDerWaalsContact O-N 3.14Å; R413-K439 PolarHBondContact NH2-O 3.31Å; R413-D444 WeakPolarHBondContact CD-OD1 3.36Å; R413-D444 VanDerWaalsContact CG-OD1 3.3Å; R413-D444 WeakPolarHBondContact CG-OD1 3.15Å; R413-D444 IonicContact CZ-OD2 2.65Å; R413-D444 IonicContact NE-OD1 3.64Å; R413-D444 PolarHBondContact NE-OD1 3.16Å; R413-D444 IonicContact NE-OD2 3.04Å; R413-D444 PolarHBondContact NE-OD2 3.45Å; R413-D444 IonicContact NH2-OD2 2.94Å; R413-D444 PolarHBondContact NH2-OD2 3.38Å; R413-Q445 PolarHBondContact N-O 3.21Å; R413-Q445 VanDerWaalsContact N-O 3.1Å
414N92.7Very high92.6Very high130 Ų13063.6 Ų63.670%0.69529%0.286SS*.THydrogen-bonded Turntrans58.914.8-171.1-51.1-60.7000115.1A412 W447A412-N414 VanDerWaalsContact C-N 3.25Å; A412-N414 PolarHBondContact O-N 3.46Å; N414-W447 WeakPolarHBondContact OD1-CH2 3.41Å
415K94.9Very high91.6Very high151 Ų15167.2 Ų67.266%0.65730%0.301SS*.EExtended strand (participates in β ladder)trans-118.1138176.9-65.1-174.8-178.8-176.90110.8V411 A412 R413 Q417V411-K415 WeakPolarHBondContact CA-O 3.44Å; V411-K415 WeakPolarHBondContact CG1-O 3.46Å; A412-K415 PolarHBondContact N-O 3.37Å; A412-K415 PolarHBondContact O-N 3.06Å; R413-K415 PolarHBondContact O-N 3.31Å; R413-K415 VanDerWaalsContact O-N 3.14Å; K415-Q417 PolarHBondContact O-N 3.04Å; K415-Q417 VanDerWaalsContact O-N 3.15Å; K415-Q417 PolarHBondContact O-NE2 3.12Å
416K94.1Very high90.5Very high90 Ų9068.5 Ų68.539%0.39132%0.321SS..EExtended strand (participates in β ladder)trans-76.7100.4179.4-55.5-161.6166-152.80109.3S409 L410 V411 E449S409-K416 PolarHBondContact OG-NZ 3.48Å; L410-K416 CarbonylContact O-C 3.56Å; V411-K416 HydrophobicContact CG2-CG 4.03Å; K416-E449 WeakPolarHBondContact CE-OE2 3.35Å; K416-E449 IonicContact NZ-OE2 2.69Å; K416-E449 PolarHBondContact NZ-OE2 3.37Å
417Q93.3Very high89.2Confident84 Ų8477.5 Ų77.539%0.39336%0.363SS..EExtended strand (participates in β ladder)trans-75.1-37.3-177-52.9-58.4-30.900111.5L410 A412 K415 L436 L438L410-Q417 HydrophobicContact CD2-CB 4.34Å; L410-Q417 HydrophobicContact CD2-CG 4.47Å; L410-Q417 PolarHBondContact O-N 3.17Å; A412-Q417 HydrophobicContact CB-CG 3.63Å; A412-Q417 PolarHBondContact O-NE2 3.36Å; K415-Q417 PolarHBondContact O-N 3.04Å; K415-Q417 VanDerWaalsContact O-N 3.15Å; K415-Q417 PolarHBondContact O-NE2 3.12Å; Q417-L436 HydrophobicContact CB-CD2 4.27Å; Q417-L438 HydrophobicContact CG-CD1 4.48Å; Q417-L438 HydrophobicContact CG-CD2 4.39Å
418F93.5Very high88.5Confident73 Ų7377.2 Ų77.232%0.3237%0.367SS..EExtended strand (participates in β ladder)trans-137.5154.1177.4-167.8-97.3000111.1S409 L410 L434 L436S409-F418 CarbonylContact C-O 3.58Å; S409-F418 VanDerWaalsContact CA-O 3.28Å; S409-F418 WeakPolarHBondContact CA-O 3.5Å; L410-F418 HydrophobicContact CB-CB 4.28Å; L410-F418 PolarHBondContact N-O 3.17Å; L410-F418 PolarHBondContact O-N 3.35Å; F418-L434 HydrophobicContact CB-CD2 4.14Å; F418-L434 HydrophobicContact CD1-CD1 3.87Å; F418-L434 HydrophobicContact CD1-CD2 3.44Å; F418-L434 VanDerWaalsContact CD1-CD2 3.44Å; F418-L434 HydrophobicContact CD1-CG 4.27Å; F418-L434 HydrophobicContact CD2-CD1 4.4Å; F418-L434 HydrophobicContact CE1-CD1 3.69Å; F418-L434 HydrophobicContact CE1-CD2 4.03Å; F418-L434 HydrophobicContact CE1-CG 4.42Å; F418-L434 HydrophobicContact CE2-CD1 4.25Å; F418-L434 HydrophobicContact CG-CD1 4.21Å; F418-L434 HydrophobicContact CG-CD2 3.88Å; F418-L434 HydrophobicContact CZ-CD1 3.9Å; F418-L436 HydrophobicContact CB-CD2 4.23Å
419K93.1Very high87.8Confident125 Ų12579.9 Ų79.954%0.54338%0.383SS..EExtended strand (participates in β ladder)trans-140.999.5178.4-63.9170.3-170159.70109.8I408I408-K419 CarbonylContact O-C 3.52Å; I408-K419 WeakPolarHBondContact O-CA 3.35Å
420S91.3Very high87.5Confident23 Ų2381.3 Ų81.316%0.16139%0.39CS..EExtended strand (participates in β ladder)trans-79.3154.3166.8-168.50000111.2Y397 R407 I408Y397-S420 WeakPolarHBondContact OH-CB 3.5Å; R407-S420 CarbonylContact C-O 3.39Å; R407-S420 WeakPolarHBondContact CA-O 3.5Å; R407-S420 WeakPolarHBondContact CG-O 3.37Å; I408-S420 PolarHBondContact N-O 3.03Å; I408-S420 PolarHBondContact O-N 3.21Å
421R90.8Very high87.2Confident152 Ų15285.9 Ų85.957%0.57441%0.411SS*.EExtended strand (participates in β ladder)trans-138.7107.3172.7-179.3-166-173.4-166.41.1107.7A406 R407 W454A406-R421 CarbonylContact O-C 3.58Å; A406-R421 WeakPolarHBondContact O-CA 3.47Å; R407-R421 HydrophobicContact CG-CB 4.48Å; R421-W454 HydrophobicContact CG-CE3 3.68Å; R421-W454 HydrophobicContact CG-CH2 4.32Å; R421-W454 HydrophobicContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact NH2-CZ2 3.27Å
422E89.4Confident86.9Confident40 Ų4085.8 Ų85.819%0.18741%0.411CS..EExtended strand (participates in β ladder)trans-99135.4179.1-159.955-94.100111.7V401 P405 A406 D430 A432V401-E422 HydrophobicContact CB-CG 4.19Å; V401-E422 HydrophobicContact CG1-CB 4.3Å; V401-E422 HydrophobicContact CG1-CG 4.26Å; V401-E422 HydrophobicContact CG2-CB 4.08Å; V401-E422 HydrophobicContact CG2-CG 3.99Å; P405-E422 WeakPolarHBondContact CA-O 3.36Å; P405-E422 WeakPolarHBondContact CB-O 3.08Å; A406-E422 HydrophobicContact CB-CB 4.37Å; A406-E422 PolarHBondContact N-O 2.86Å; A406-E422 VanDerWaalsContact N-O 3.07Å; A406-E422 PolarHBondContact O-N 2.99Å; E422-D430 HydrophobicContact CG-CB 4.49Å; E422-A432 HydrophobicContact CB-CB 4.21Å; E422-A432 HydrophobicContact CG-CB 4.12Å
423T84.1Confident86.8Confident54 Ų5488.9 Ų88.933%0.33143%0.432SS..  trans-123.1102.7-170.248.30000112.6W454T423-W454 HydrophobicContact CG2-CH2 3.85Å; T423-W454 HydrophobicContact CG2-CZ3 3.73Å
424L79.6Confident86.9Confident23 Ų2384.5 Ų84.512%0.1242%0.418CS..  trans-76140173.8-56.8-176.2000112.2V401 R402 R404 D430V401-L424 HydrophobicContact CB-CD2 4.3Å; V401-L424 HydrophobicContact CG1-CD1 4.11Å; V401-L424 HydrophobicContact CG1-CD2 3.93Å; V401-L424 HydrophobicContact CG1-CG 3.95Å; R402-L424 VanDerWaalsContact C-CD1 3.44Å; R404-L424 VanDerWaalsContact O-CD1 3.31Å; R404-L424 WeakPolarHBondContact O-CD1 3.24Å; L424-D430 HydrophobicContact CD2-CB 3.51Å
425Y68.4Low87.1Confident181 Ų18183.8 Ų83.871%0.7141%0.413SS*.  trans-107.1113.5167.3-72.6-92.9000109.6Q428Y425-Q428 WeakPolarHBondContact O-CG 3.46Å
426G67.8Low87.1Confident67 Ų6778.6 Ų78.669%0.69139%0.392SS*.THydrogen-bonded Turntrans67.4-144.9-177.100000113.4Q428G426-Q428 VanDerWaalsContact C-N 3.26Å; G426-Q428 PolarHBondContact O-N 3.11Å
427Q67.3Low87.3Confident189 Ų18978.9 Ų78.988%0.88340%0.397SS*.THydrogen-bonded Turntrans-86.218-179.2-66.1-172.6-1300114.1
428Q79.5Confident87.4Confident111 Ų11176.1 Ų76.152%0.51939%0.385SS..  trans-69.7158.2-177-67.7-177.7-1100112.5Y425 G426Y425-Q428 WeakPolarHBondContact O-CG 3.46Å; G426-Q428 VanDerWaalsContact C-N 3.26Å; G426-Q428 PolarHBondContact O-N 3.11Å
429V82.8Confident87.6Confident58 Ų5877.9 Ų77.935%0.35239%0.392SS..EExtended strand (participates in β ladder)trans-102.4136.7169.7-175.10000107.2T400 R402T400-V429 HydrophobicContact CG2-CG1 3.46Å; T400-V429 VanDerWaalsContact CG2-CG1 3.46Å; R402-V429 HydrophobicContact CG-CG2 4Å
430D89.6Confident87.8Confident38 Ų3872 Ų7220%0.20337%0.367CS..EExtended strand (participates in β ladder)trans-133.1166.7175.8-145-31.4000111.2V401 E422 L424V401-D430 PolarHBondContact N-O 3.42Å; V401-D430 PolarHBondContact O-N 3.01Å; E422-D430 HydrophobicContact CG-CB 4.49Å; L424-D430 HydrophobicContact CD2-CB 3.51Å
431Q91Very high88Confident95 Ų9573.9 Ų73.944%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-128.195.5-170.5-71.6-64.4-22.300111.9V399 T400V399-Q431 PolarHBondContact O-OE1 3.17Å; T400-Q431 PolarHBondContact OG1-NE2 3.43Å
432A91.6Very high88.1Confident1 Ų169.7 Ų69.71%0.00838%0.378CS..EExtended strand (participates in β ladder)trans-77.9129176.200000110.4Y397 V399 V401 I408 E422Y397-A432 HydrophobicContact CE2-CB 4.38Å; V399-A432 HydrophobicContact CG2-CB 3.96Å; V399-A432 WeakPolarHBondContact CG2-O 3.28Å; V399-A432 PolarHBondContact N-O 3.16Å; V399-A432 PolarHBondContact O-N 3.42Å; V401-A432 HydrophobicContact CG2-CB 4.04Å; I408-A432 HydrophobicContact CD1-CB 4.44Å; E422-A432 HydrophobicContact CB-CB 4.21Å; E422-A432 HydrophobicContact CG-CB 4.12Å
433S94.3Very high88.3Confident67 Ų6770.8 Ų70.847%0.46940%0.4SS..EExtended strand (participates in β ladder)trans-129.5149.3178.9-63.20000112.2Y397 H398Y397-S433 WeakPolarHBondContact O-CA 3.45Å; H398-S433 WeakPolarHBondContact ND1-CB 3.44Å; H398-S433 PolarHBondContact ND1-OG 3.49Å
434L95.4Very high88.9Confident23 Ų2369.5 Ų69.512%0.1239%0.391CS..EExtended strand (participates in β ladder)trans-146.6145.4172.3-179.765.2000110.5S396 Y397 L410 F418 L436S396-L434 CarbonylContact C-O 3.48Å; S396-L434 WeakPolarHBondContact CA-O 3.23Å; S396-L434 VanDerWaalsContact CB-O 3.23Å; S396-L434 WeakPolarHBondContact CB-O 3.46Å; Y397-L434 HydrophobicContact CD1-CB 3.86Å; Y397-L434 HydrophobicContact CD1-CD2 4.23Å; Y397-L434 HydrophobicContact CD2-CB 4.44Å; Y397-L434 HydrophobicContact CE1-CB 3.47Å; Y397-L434 VanDerWaalsContact CE1-CB 3.47Å; Y397-L434 HydrophobicContact CE1-CD2 3.57Å; Y397-L434 HydrophobicContact CE1-CG 4.16Å; Y397-L434 HydrophobicContact CE2-CB 4.07Å; Y397-L434 HydrophobicContact CG-CB 4.33Å; Y397-L434 PolarHBondContact N-O 2.9Å; Y397-L434 PolarHBondContact O-N 3.22Å; L410-L434 HydrophobicContact CB-CD2 4.47Å; L410-L434 HydrophobicContact CD1-CD2 4.22Å; F418-L434 HydrophobicContact CB-CD2 4.14Å; F418-L434 HydrophobicContact CD1-CD1 3.87Å; F418-L434 HydrophobicContact CD1-CD2 3.44Å; F418-L434 VanDerWaalsContact CD1-CD2 3.44Å; F418-L434 HydrophobicContact CD1-CG 4.27Å; F418-L434 HydrophobicContact CD2-CD1 4.4Å; F418-L434 HydrophobicContact CE1-CD1 3.69Å; F418-L434 HydrophobicContact CE1-CD2 4.03Å; F418-L434 HydrophobicContact CE1-CG 4.42Å; F418-L434 HydrophobicContact CE2-CD1 4.25Å; F418-L434 HydrophobicContact CG-CD1 4.21Å; F418-L434 HydrophobicContact CG-CD2 3.88Å; F418-L434 HydrophobicContact CZ-CD1 3.9Å; L434-L436 HydrophobicContact CD2-CB 4.42Å; L434-L436 HydrophobicContact CG-CB 4.45Å
435L96.6Very high89.8Confident114 Ų11471.3 Ų71.360%0.59740%0.399SS*.EExtended strand (participates in β ladder)trans-127.5132.4157.7-174.3152.8000108.2V394 F395 I437V394-L435 HydrophobicContact CG1-CD1 4.08Å; V394-L435 HydrophobicContact CG1-CD2 4Å; V394-L435 HydrophobicContact CG1-CG 3.86Å; F395-L435 CarbonylContact O-C 3.57Å; F395-L435 WeakPolarHBondContact O-CA 3.46Å; L435-I437 HydrophobicContact CD2-CG1 4.26Å
436L96.1Very high91.2Very high42 Ų4262.7 Ų62.722%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-139.4136.9-178.9-174.966.7000110.4F395 L410 Q417 F418 L434 L438F395-L436 PolarHBondContact N-O 3.44Å; F395-L436 PolarHBondContact O-N 3.41Å; L410-L436 HydrophobicContact CD1-CD2 4.13Å; L410-L436 HydrophobicContact CD2-CD2 4.05Å; Q417-L436 HydrophobicContact CB-CD2 4.27Å; F418-L436 HydrophobicContact CB-CD2 4.23Å; L434-L436 HydrophobicContact CD2-CB 4.42Å; L434-L436 HydrophobicContact CG-CB 4.45Å; L436-L438 HydrophobicContact CD2-CD1 4.23Å; L436-L438 HydrophobicContact CD2-CD2 4Å; L436-L438 HydrophobicContact CD2-CG 4.11Å; L436-L438 HydrophobicContact CG-CD2 4.21Å; L436-L438 HydrophobicContact CG-CG 4.19Å
437I97.5Very high92.7Very high97 Ų9760 Ų6050%0.49733%0.334SS..EExtended strand (participates in β ladder)trans-103.3129.6176.5-51.5-173.8000108.7T392 Y393 V394 L435T392-I437 HydrophobicContact CG2-CG2 3.43Å; T392-I437 VanDerWaalsContact CG2-CG2 3.43Å; Y393-I437 CarbonylContact O-C 3.52Å; Y393-I437 WeakPolarHBondContact O-CA 3.33Å; V394-I437 HydrophobicContact CG2-CG1 4.29Å; L435-I437 HydrophobicContact CD2-CG1 4.26Å
438L96.7Very high94.2Very high25 Ų2551.1 Ų51.113%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-133.9130.7-178.3-66.7177.6000110.9Y393 F395 L410 A412 Q417 L436 L440Y393-L438 PolarHBondContact N-O 3.37Å; Y393-L438 PolarHBondContact O-N 3.23Å; F395-L438 HydrophobicContact CD2-CB 4.47Å; F395-L438 HydrophobicContact CD2-CD1 4.05Å; F395-L438 HydrophobicContact CD2-CG 4.47Å; F395-L438 HydrophobicContact CE2-CB 4.39Å; F395-L438 HydrophobicContact CE2-CD1 4.21Å; L410-L438 HydrophobicContact CD2-CD1 3.87Å; A412-L438 HydrophobicContact CB-CD1 4Å; Q417-L438 HydrophobicContact CG-CD1 4.48Å; Q417-L438 HydrophobicContact CG-CD2 4.39Å; L436-L438 HydrophobicContact CD2-CD1 4.23Å; L436-L438 HydrophobicContact CD2-CD2 4Å; L436-L438 HydrophobicContact CD2-CG 4.11Å; L436-L438 HydrophobicContact CG-CD2 4.21Å; L436-L438 HydrophobicContact CG-CG 4.19Å; L438-L440 HydrophobicContact CB-CD2 4.2Å; L438-L440 HydrophobicContact CB-CG 4.44Å
439K96.7Very high95Very high111 Ų11146.9 Ų46.948%0.48327%0.273SS..EExtended strand (participates in β ladder)trans-82.5118.9165.8-175.4172.8179.3175.50110.1G391 R413 E475G391-K439 WeakPolarHBondContact O-CA 3.36Å; R413-K439 PolarHBondContact NH2-O 3.31Å; K439-E475 WeakPolarHBondContact CE-OE2 2.89Å; K439-E475 IonicContact NZ-OE1 3.8Å; K439-E475 PolarHBondContact NZ-OE1 3.41Å; K439-E475 IonicContact NZ-OE2 2.64Å; K439-E475 PolarHBondContact NZ-OE2 3.41Å
440L96.6Very high95.6Very high2 Ų244.1 Ų44.11%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-114.1151.1-178.5-58.8-176000111.7F385 C387 P390 G391 Y393 F395 L438 D444 V446F385-L440 HydrophobicContact CE1-CD1 4.13Å; C387-L440 HydrophobicContact CB-CB 4.1Å; C387-L440 HydrophobicContact CB-CD1 4.12Å; P390-L440 WeakPolarHBondContact CA-O 3.49Å; G391-L440 PolarHBondContact N-O 2.85Å; G391-L440 PolarHBondContact O-N 3.36Å; Y393-L440 HydrophobicContact CD2-CB 3.89Å; Y393-L440 HydrophobicContact CD2-CD1 3.74Å; Y393-L440 HydrophobicContact CD2-CG 3.96Å; Y393-L440 HydrophobicContact CE2-CB 4.15Å; Y393-L440 HydrophobicContact CE2-CD1 4.21Å; Y393-L440 HydrophobicContact CG-CD1 3.99Å; F395-L440 HydrophobicContact CE2-CD1 3.81Å; F395-L440 HydrophobicContact CZ-CD1 3.77Å; L438-L440 HydrophobicContact CB-CD2 4.2Å; L438-L440 HydrophobicContact CB-CG 4.44Å; L440-D444 WeakPolarHBondContact CA-OD2 3.42Å; L440-D444 HydrophobicContact CB-CB 4.25Å; L440-D444 HydrophobicContact CD2-CB 4.13Å; L440-V446 HydrophobicContact CD1-CG2 3.69Å; L440-V446 HydrophobicContact CD2-CG2 4.09Å
441S95.8Very high95.9Very high62 Ų6243.5 Ų43.543%0.43425%0.254SS..  trans-106.3152.5170.3-61.70000109.2C387 G443 D444C387-S441 WeakPolarHBondContact CB-O 3.24Å; C387-S441 PolarHBondContact SG-O 3.44Å; C387-S441 VanDerWaalsContact SG-O 3.33Å; S441-G443 PolarHBondContact O-N 3.2Å; S441-D444 PolarHBondContact N-OD2 2.96Å; S441-D444 VanDerWaalsContact O-CB 3.24Å; S441-D444 WeakPolarHBondContact O-CB 3.38Å; S441-D444 PolarHBondContact O-N 3.35Å
442A93.5Very high95.9Very high64 Ų6445.6 Ų45.653%0.52926%0.262SS..THydrogen-bonded Turntrans-53.7131.5176.300000111.4C387C387-A442 CarbonylContact O-C 3.48Å; C387-A442 WeakPolarHBondContact O-CA 3.45Å
443G93.9Very high95.8Very high63 Ų6351.4 Ų51.465%0.64929%0.293SS*.THydrogen-bonded Turntrans89.9-10.2-17300000115.6C387 S441C387-G443 PolarHBondContact O-N 3.29Å; S441-G443 PolarHBondContact O-N 3.2Å
444D97.4Very high95.7Very high26 Ų2651.4 Ų51.414%0.13928%0.283CS..  trans-63.4137.2172.2-80.1-33.5000111.2C387 R413 L440 S441C387-D444 HydrophobicContact CB-CB 4.13Å; C387-D444 WeakPolarHBondContact CB-O 3.47Å; C387-D444 PolarHBondContact N-O 3.15Å; R413-D444 WeakPolarHBondContact CD-OD1 3.36Å; R413-D444 VanDerWaalsContact CG-OD1 3.3Å; R413-D444 WeakPolarHBondContact CG-OD1 3.15Å; R413-D444 IonicContact CZ-OD2 2.65Å; R413-D444 IonicContact NE-OD1 3.64Å; R413-D444 PolarHBondContact NE-OD1 3.16Å; R413-D444 IonicContact NE-OD2 3.04Å; R413-D444 PolarHBondContact NE-OD2 3.45Å; R413-D444 IonicContact NH2-OD2 2.94Å; R413-D444 PolarHBondContact NH2-OD2 3.38Å; L440-D444 WeakPolarHBondContact CA-OD2 3.42Å; L440-D444 HydrophobicContact CB-CB 4.25Å; L440-D444 HydrophobicContact CD2-CB 4.13Å; S441-D444 PolarHBondContact N-OD2 2.96Å; S441-D444 VanDerWaalsContact O-CB 3.24Å; S441-D444 WeakPolarHBondContact O-CB 3.38Å; S441-D444 PolarHBondContact O-N 3.35Å
445Q97.8Very high95.6Very high61 Ų6150.7 Ų50.729%0.28528%0.279SS..EExtended strand (participates in β ladder)trans-106.6141.8175.5-69.5-170.9-27.900112.1F385 N386 A412 R413 W447F385-Q445 VanDerWaalsContact O-CA 3.31Å; F385-Q445 WeakPolarHBondContact O-CA 3.43Å; N386-Q445 PolarHBondContact OD1-NE2 3.42Å; A412-Q445 VanDerWaalsContact CA-O 3.31Å; A412-Q445 WeakPolarHBondContact CA-O 3.21Å; R413-Q445 PolarHBondContact N-O 3.21Å; R413-Q445 VanDerWaalsContact N-O 3.1Å; Q445-W447 HydrophobicContact CB-CE3 4.11Å; Q445-W447 HydrophobicContact CB-CZ3 3.73Å
446V98.3Very high95.5Very high0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-131.4138.5175.9-172.10000111.2F385 F395 L410 V411 A412 L440F385-V446 HydrophobicContact CB-CB 4.48Å; F385-V446 HydrophobicContact CD1-CB 4.31Å; F385-V446 HydrophobicContact CD1-CG2 4.4Å; F385-V446 PolarHBondContact N-O 3.46Å; F385-V446 PolarHBondContact O-N 3.48Å; F395-V446 HydrophobicContact CD1-CG1 3.99Å; F395-V446 HydrophobicContact CD2-CG1 4.43Å; F395-V446 HydrophobicContact CE1-CB 3.86Å; F395-V446 HydrophobicContact CE1-CG1 3.76Å; F395-V446 HydrophobicContact CE1-CG2 4.23Å; F395-V446 HydrophobicContact CE2-CB 4.46Å; F395-V446 HydrophobicContact CE2-CG1 4.23Å; F395-V446 HydrophobicContact CE2-CG2 4.04Å; F395-V446 HydrophobicContact CG-CG1 4.32Å; F395-V446 HydrophobicContact CZ-CB 3.81Å; F395-V446 HydrophobicContact CZ-CG1 3.91Å; F395-V446 HydrophobicContact CZ-CG2 3.64Å; L410-V446 HydrophobicContact CD2-CG1 3.85Å; L410-V446 HydrophobicContact CG-CG1 4.4Å; V411-V446 CarbonylContact O-C 3.56Å; V411-V446 VanDerWaalsContact O-CA 3.27Å; V411-V446 WeakPolarHBondContact O-CA 3.32Å; A412-V446 HydrophobicContact CB-CG1 4.43Å; A412-V446 HydrophobicContact CB-CG2 3.83Å; L440-V446 HydrophobicContact CD1-CG2 3.69Å; L440-V446 HydrophobicContact CD2-CG2 4.09Å
447W98.3Very high95.4Very high11 Ų1143.3 Ų43.34%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-157171.6175.562.696.7000112.7P364 G383 K384 V411 N414 Q445 E449P364-W447 HydrophobicContact CB-CB 4.12Å; P364-W447 HydrophobicContact CB-CG 3.91Å; P364-W447 HydrophobicContact CG-CD2 4.38Å; P364-W447 HydrophobicContact CG-CG 4.03Å; G383-W447 WeakPolarHBondContact O-CB 3.32Å; K384-W447 HydrophobicContact CD-CD2 4.41Å; K384-W447 HydrophobicContact CD-CE3 3.98Å; K384-W447 HydrophobicContact CD-CZ3 4.34Å; K384-W447 VanDerWaalsContact CE-CE3 3.49Å; K384-W447 HydrophobicContact CG-CB 4.07Å; K384-W447 HydrophobicContact CG-CD2 4.18Å; K384-W447 HydrophobicContact CG-CE3 4.02Å; K384-W447 HydrophobicContact CG-CG 4.24Å; V411-W447 HydrophobicContact CB-CD2 4.06Å; V411-W447 HydrophobicContact CB-CG 4.39Å; V411-W447 HydrophobicContact CB-CZ2 3.98Å; V411-W447 HydrophobicContact CG1-CD2 4.4Å; V411-W447 HydrophobicContact CG1-CH2 3.9Å; V411-W447 HydrophobicContact CG1-CZ2 3.46Å; V411-W447 VanDerWaalsContact CG1-CZ2 3.46Å; V411-W447 PolarHBondContact N-O 3.36Å; V411-W447 PolarHBondContact O-N 3.42Å; N414-W447 WeakPolarHBondContact OD1-CH2 3.41Å; Q445-W447 HydrophobicContact CB-CE3 4.11Å; Q445-W447 HydrophobicContact CB-CZ3 3.73Å; W447-E449 VanDerWaalsContact NE1-CG 3.33Å; W447-E449 PolarHBondContact NE1-OE1 3.43Å
448L98.1Very high95.3Very high2 Ų241.3 Ų41.31%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-103.1143.5167.7-57.8-176.9000111.1P364 I365 F367 Y397 S409 L410 F467P364-L448 WeakPolarHBondContact CA-O 3.34Å; I365-L448 HydrophobicContact CD1-CB 3.9Å; I365-L448 WeakPolarHBondContact CG1-O 3.38Å; I365-L448 PolarHBondContact N-O 3.27Å; F367-L448 HydrophobicContact CE2-CB 4.38Å; F367-L448 HydrophobicContact CE2-CD1 3.99Å; F367-L448 HydrophobicContact CE2-CG 4.5Å; F367-L448 HydrophobicContact CZ-CD1 3.9Å; Y397-L448 HydrophobicContact CD1-CD1 3.66Å; Y397-L448 HydrophobicContact CD1-CD2 3.79Å; Y397-L448 HydrophobicContact CD1-CG 4.4Å; Y397-L448 HydrophobicContact CE1-CD1 4.44Å; Y397-L448 HydrophobicContact CE1-CD2 4.12Å; Y397-L448 HydrophobicContact CG-CD1 3.94Å; S409-L448 CarbonylContact O-C 3.59Å; S409-L448 WeakPolarHBondContact O-CA 3.31Å; L410-L448 HydrophobicContact CB-CD2 3.81Å; L410-L448 HydrophobicContact CD1-CD2 4.13Å; L410-L448 HydrophobicContact CG-CD2 3.87Å; L448-F467 HydrophobicContact CD1-CB 3.96Å; L448-F467 HydrophobicContact CD1-CD1 4.3Å; L448-F467 HydrophobicContact CD1-CD2 3.63Å; L448-F467 HydrophobicContact CD1-CE2 4.17Å; L448-F467 HydrophobicContact CD1-CG 3.71Å; L448-F467 HydrophobicContact CD2-CD2 4.27Å; L448-F467 HydrophobicContact CD2-CE2 3.98Å; L448-F467 HydrophobicContact CD2-CZ 4.31Å; L448-F467 HydrophobicContact CG-CD1 4.14Å; L448-F467 HydrophobicContact CG-CD2 3.83Å; L448-F467 HydrophobicContact CG-CE1 4.17Å; L448-F467 HydrophobicContact CG-CE2 3.87Å; L448-F467 HydrophobicContact CG-CG 3.98Å; L448-F467 HydrophobicContact CG-CZ 4.05Å
449E96.9Very high95.3Very high23 Ų2340.5 Ų40.511%0.10722%0.223CC..EExtended strand (participates in β ladder)trans-124.7152.9169.8-63.3179.1-176.800110.5I408 S409 V411 K416 W447I408-E449 CarbonylContact C-O 3.56Å; I408-E449 WeakPolarHBondContact CA-O 3.4Å; S409-E449 PolarHBondContact N-O 3.14Å; S409-E449 PolarHBondContact O-N 3.32Å; V411-E449 HydrophobicContact CG2-CB 4.42Å; V411-E449 HydrophobicContact CG2-CG 3.83Å; K416-E449 WeakPolarHBondContact CE-OE2 3.35Å; K416-E449 IonicContact NZ-OE2 2.69Å; K416-E449 PolarHBondContact NZ-OE2 3.37Å; W447-E449 VanDerWaalsContact NE1-CG 3.33Å; W447-E449 PolarHBondContact NE1-OE1 3.43Å
450V96.2Very high95Very high0 Ų036.3 Ų36.30%021%0.211CC..EExtended strand (participates in β ladder)trans-117.9139170.969.60000110.9P359 P361 N362 I365 R407 W454 N455P359-V450 HydrophobicContact CG-CG1 4.22Å; P361-V450 CarbonylContact C-O 3.6Å; P361-V450 WeakPolarHBondContact CA-O 3.19Å; P361-V450 HydrophobicContact CB-CG1 4.35Å; P361-V450 WeakPolarHBondContact CB-O 3.36Å; N362-V450 PolarHBondContact N-O 3.41Å; I365-V450 HydrophobicContact CD1-CB 4.07Å; I365-V450 HydrophobicContact CD1-CG1 4.42Å; I365-V450 HydrophobicContact CG1-CG1 4.44Å; R407-V450 WeakPolarHBondContact O-CA 3.37Å; V450-W454 WeakPolarHBondContact CG2-O 3.31Å; V450-N455 HydrophobicContact CG1-CB 4.38Å; V450-N455 WeakPolarHBondContact CG1-OD1 3.41Å; V450-N455 HydrophobicContact CG2-CB 3.99Å
451S94.5Very high94.7Very high24 Ų2442.2 Ų42.217%0.16825%0.25CS..EExtended strand (participates in β ladder)trans-71138.2-178.7-1590000111.5R407 D453 W454R407-S451 PolarHBondContact O-N 3.42Å; S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.48Å; S451-D453 VanDerWaalsContact O-N 3.15Å; S451-W454 CarbonylContact O-C 3.25Å; S451-W454 VanDerWaalsContact O-C 3.25Å; S451-W454 PolarHBondContact O-N 3.07Å; S451-W454 VanDerWaalsContact O-N 3.09Å
452K91.9Very high94.4Very high139 Ų13947.9 Ų47.960%0.60427%0.27SS*.EExtended strand (participates in β ladder)trans-45.2-48.5178.9-175-174.7176.6-171.50113.9P361 N362P361-K452 HydrophobicContact CB-CB 4.1Å; P361-K452 HydrophobicContact CG-CB 4.22Å; P361-K452 HydrophobicContact CG-CG 4.22Å; N362-K452 PolarHBondContact OD1-N 2.97Å
453D89.4Confident94.4Very high123 Ų12346.2 Ų46.266%0.65825%0.252SS*.EExtended strand (participates in β ladder)trans-86.4-13.7-169.8-31.5-75000112.1S451S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.48Å; S451-D453 VanDerWaalsContact O-N 3.15Å
454W91.5Very high94.5Very high67 Ų6747 Ų4725%0.25424%0.241SC..EExtended strand (participates in β ladder)trans-134.772.4-173.6-79.254.6000108.8P405 A406 R407 R421 T423 V450 S451P405-W454 HydrophobicContact CB-CD2 3.79Å; P405-W454 HydrophobicContact CB-CE3 3.32Å; P405-W454 HydrophobicContact CB-CH2 3.71Å; P405-W454 HydrophobicContact CB-CZ2 4.2Å; P405-W454 HydrophobicContact CB-CZ3 3.27Å; P405-W454 HydrophobicContact CG-CE3 4.47Å; P405-W454 HydrophobicContact CG-CH2 4.12Å; P405-W454 HydrophobicContact CG-CZ2 4.45Å; P405-W454 HydrophobicContact CG-CZ3 4.17Å; P405-W454 CarbonylContact O-C 3.49Å; P405-W454 WeakPolarHBondContact O-CA 3.33Å; A406-W454 CarbonylContact C-O 3.5Å; A406-W454 WeakPolarHBondContact CA-O 3.36Å; R407-W454 HydrophobicContact CB-CB 3.55Å; R407-W454 HydrophobicContact CB-CE3 4.44Å; R407-W454 HydrophobicContact CB-CG 4.23Å; R407-W454 PolarHBondContact N-O 2.91Å; R421-W454 HydrophobicContact CG-CE3 3.68Å; R421-W454 HydrophobicContact CG-CH2 4.32Å; R421-W454 HydrophobicContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact NH2-CZ2 3.27Å; T423-W454 HydrophobicContact CG2-CH2 3.85Å; T423-W454 HydrophobicContact CG2-CZ3 3.73Å; V450-W454 WeakPolarHBondContact CG2-O 3.31Å; S451-W454 CarbonylContact O-C 3.25Å; S451-W454 VanDerWaalsContact O-C 3.25Å; S451-W454 PolarHBondContact O-N 3.07Å; S451-W454 VanDerWaalsContact O-N 3.09Å
455N93.9Very high94.5Very high8 Ų845.7 Ų45.74%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-119.852.8-172.9-172.43000113.2F358 P359 R404 P405 V450 L457F358-N455 WeakPolarHBondContact CD1-O 3.27Å; P359-N455 PolarHBondContact O-ND2 3.37Å; R404-N455 VanDerWaalsContact NE-C 3.32Å; R404-N455 PolarHBondContact NE-O 3.39Å; R404-N455 PolarHBondContact NH2-O 3.41Å; P405-N455 PolarHBondContact O-N 3.45Å; V450-N455 HydrophobicContact CG1-CB 4.38Å; V450-N455 WeakPolarHBondContact CG1-OD1 3.41Å; V450-N455 HydrophobicContact CG2-CB 3.99Å; N455-L457 PolarHBondContact O-N 3.23Å
456G93.9Very high94.5Very high0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-71.31.4177.900000117V401 R402 R404 P405 Y458V401-G456 WeakPolarHBondContact CA-O 3.44Å; R402-G456 PolarHBondContact N-O 3.25Å; R404-G456 WeakPolarHBondContact O-CA 3.5Å; P405-G456 PolarHBondContact O-N 3.5Å; G456-Y458 PolarHBondContact O-N 3.46Å
457L95.1Very high94.5Very high1 Ų144.7 Ų44.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-63.7128.6-171.5-149.678.8000111.3L354 F358 P359 I365 V399 I408 N455L354-L457 HydrophobicContact CD2-CD2 3.95Å; L354-L457 HydrophobicContact CD2-CG 4.4Å; F358-L457 VanDerWaalsContact CD1-O 3.31Å; F358-L457 WeakPolarHBondContact CD1-O 3.47Å; F358-L457 PolarHBondContact N-O 3.48Å; P359-L457 HydrophobicContact CG-CB 4.37Å; P359-L457 HydrophobicContact CG-CD2 3.83Å; I365-L457 HydrophobicContact CD1-CD2 3.93Å; I365-L457 HydrophobicContact CG2-CD2 4.26Å; V399-L457 HydrophobicContact CB-CD1 3.65Å; V399-L457 HydrophobicContact CB-CG 4.48Å; V399-L457 HydrophobicContact CG1-CD1 4.16Å; V399-L457 HydrophobicContact CG2-CD1 3.53Å; I408-L457 HydrophobicContact CD1-CD1 3.5Å; I408-L457 VanDerWaalsContact CD1-CD1 3.5Å; I408-L457 HydrophobicContact CG1-CD1 4.29Å; N455-L457 PolarHBondContact O-N 3.23Å
458Y95.1Very high94.5Very high55 Ų5545 Ų4522%0.21624%0.235CC..EExtended strand (participates in β ladder)trans-132.4155.7-168.6-165.8-102.6000113P357 F358 T400 R402 G456 D463 S465P357-Y458 HydrophobicContact CB-CD2 3.54Å; P357-Y458 HydrophobicContact CB-CE2 3.9Å; P357-Y458 HydrophobicContact CB-CG 4.26Å; P357-Y458 HydrophobicContact CG-CD2 4.39Å; P357-Y458 HydrophobicContact CG-CE2 4.26Å; F358-Y458 HydrophobicContact CE1-CD2 4.14Å; F358-Y458 HydrophobicContact CE2-CD2 4.42Å; F358-Y458 AromaticContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CE2 4.26Å; T400-Y458 HydrophobicContact CG2-CD1 4.26Å; T400-Y458 PolarHBondContact O-N 3.47Å; R402-Y458 HydrophobicContact CB-CD1 4.05Å; R402-Y458 HydrophobicContact CB-CD2 4.11Å; R402-Y458 HydrophobicContact CB-CG 3.68Å; R402-Y458 HydrophobicContact CG-CD1 4.45Å; R402-Y458 HydrophobicContact CG-CG 4.39Å; G456-Y458 PolarHBondContact O-N 3.46Å; Y458-D463 HydrophobicContact CD1-CB 3.94Å; Y458-D463 WeakPolarHBondContact CD1-OD2 3.45Å; Y458-D463 HydrophobicContact CE1-CB 4.14Å; Y458-D463 VanDerWaalsContact CE1-OD2 3.28Å; Y458-D463 WeakPolarHBondContact CE1-OD2 3.38Å; Y458-S465 WeakPolarHBondContact O-CB 3.41Å; Y458-S465 PolarHBondContact O-OG 3.48Å
459V95.8Very high94.5Very high8 Ų845 Ų455%0.04824%0.235CC..  trans-152.9143.9166.651.90000107.8L354 P357 D463L354-V459 HydrophobicContact CB-CG1 4.26Å; L354-V459 HydrophobicContact CD2-CG1 3.95Å; L354-V459 HydrophobicContact CG-CG1 3.92Å; L354-V459 WeakPolarHBondContact O-CG2 3.42Å; P357-V459 HydrophobicContact CB-CG1 4.48Å; V459-D463 CarbonylContact C-O 3.58Å; V459-D463 VanDerWaalsContact CA-O 3.24Å; V459-D463 WeakPolarHBondContact CA-O 3.26Å; V459-D463 WeakPolarHBondContact CG2-O 3.46Å
460G92.3Very high94.5Very high23 Ų2348.2 Ų48.224%0.23725%0.248CC..  trans-148.9-158.9-179.100000111.3D463G460-D463 PolarHBondContact N-O 3.25Å
461P89.6Confident94.6Very high127 Ų12749.2 Ų49.283%0.82525%0.254SS*.SBendtrans-70.3-36.3176.3-2033.7000113.6
462E90Very high94.6Very high181 Ų18151.2 Ų51.285%0.84626%0.262SS*.SBendtrans-111.6-8.8-176.3-49-63.2139.200113
463D92.4Very high94.7Very high28 Ų2851.7 Ų51.715%0.1526%0.261CS..  trans-114.3114-173.5-75-33.2000108.7T400 R402 Y458 V459 G460T400-D463 HydrophobicContact CG2-CB 3.98Å; R402-D463 IonicContact CZ-OD2 3.31Å; R402-D463 IonicContact NH1-OD2 3.5Å; R402-D463 PolarHBondContact NH1-OD2 3.38Å; Y458-D463 HydrophobicContact CD1-CB 3.94Å; Y458-D463 WeakPolarHBondContact CD1-OD2 3.45Å; Y458-D463 HydrophobicContact CE1-CB 4.14Å; Y458-D463 VanDerWaalsContact CE1-OD2 3.28Å; Y458-D463 WeakPolarHBondContact CE1-OD2 3.38Å; V459-D463 CarbonylContact C-O 3.58Å; V459-D463 VanDerWaalsContact CA-O 3.24Å; V459-D463 WeakPolarHBondContact CA-O 3.26Å; V459-D463 WeakPolarHBondContact CG2-O 3.46Å; G460-D463 PolarHBondContact N-O 3.25Å
464D95.6Very high94.8Very high79 Ų7948.2 Ų48.242%0.42225%0.245SC..  trans-106.1165.1176.7-105.7-35.2000112.9L353 K369 T400L353-D464 HydrophobicContact CD2-CB 3.98Å; K369-D464 IonicContact NZ-OD1 2.67Å; T400-D464 PolarHBondContact N-O 2.91Å; T400-D464 PolarHBondContact OG1-O 3.08Å
465S97.4Very high94.7Very high0 Ų049.3 Ų49.30%025%0.253CS..EExtended strand (participates in β ladder)trans-142.9115.9172.8-84.90000109.8L353 L354 V399 T400 Y458L353-S465 WeakPolarHBondContact CA-O 3.46Å; L354-S465 PolarHBondContact N-O 2.77Å; V399-S465 WeakPolarHBondContact CA-OG 3.46Å; V399-S465 WeakPolarHBondContact CB-OG 3.16Å; T400-S465 PolarHBondContact N-OG 3.34Å; Y458-S465 WeakPolarHBondContact O-CB 3.41Å; Y458-S465 PolarHBondContact O-OG 3.48Å
466I98.2Very high94Very high38 Ų3857.2 Ų57.220%0.19529%0.29CS..EExtended strand (participates in β ladder)trans-119.3141.5-170.9-164172.4000112.1A352 L353 L371 Y397 H398A352-I466 WeakPolarHBondContact O-CA 3.23Å; L353-I466 HydrophobicContact CD2-CB 3.66Å; L353-I466 HydrophobicContact CD2-CD1 4.29Å; L353-I466 HydrophobicContact CD2-CG1 3.96Å; L353-I466 HydrophobicContact CG-CG1 4.41Å; L371-I466 HydrophobicContact CD1-CD1 3.79Å; Y397-I466 VanDerWaalsContact CA-O 3.27Å; Y397-I466 WeakPolarHBondContact CA-O 3.37Å; Y397-I466 VanDerWaalsContact CB-O 3.31Å; Y397-I466 WeakPolarHBondContact CB-O 3.49Å; H398-I466 HydrophobicContact CB-CG2 3.87Å; H398-I466 PolarHBondContact N-O 3.18Å; H398-I466 VanDerWaalsContact N-O 3.12Å; H398-I466 WeakPolarHBondContact O-CG2 3.12Å; H398-I466 PolarHBondContact O-N 3.42Å
467F98.4Very high92.5Very high1 Ų162.3 Ų62.30%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-129.5131.5168.2176.2-134000109.7F350 A352 F367 F395 S396 L448F350-F467 AromaticContact CE2-CD1 3.69Å; F350-F467 HydrophobicContact CE2-CD1 3.69Å; F350-F467 AromaticContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CG 4.18Å; F350-F467 HydrophobicContact CE2-CZ 4.44Å; F350-F467 AromaticContact CZ-CD1 3.92Å; F350-F467 HydrophobicContact CZ-CD1 3.92Å; F350-F467 AromaticContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE2 4.34Å; F350-F467 HydrophobicContact CZ-CG 4.42Å; F350-F467 AromaticContact CZ-CZ 3.83Å; F350-F467 HydrophobicContact CZ-CZ 3.83Å; A352-F467 PolarHBondContact N-O 2.69Å; A352-F467 PolarHBondContact O-N 3.31Å; F367-F467 HydrophobicContact CD1-CB 3.94Å; F367-F467 HydrophobicContact CD2-CB 3.76Å; F367-F467 HydrophobicContact CD2-CD1 4.04Å; F367-F467 HydrophobicContact CD2-CG 4.35Å; F367-F467 HydrophobicContact CE1-CB 3.78Å; F367-F467 HydrophobicContact CE2-CB 3.58Å; F367-F467 HydrophobicContact CE2-CD1 4.07Å; F367-F467 HydrophobicContact CE2-CG 4.13Å; F367-F467 HydrophobicContact CG-CB 3.96Å; F367-F467 HydrophobicContact CZ-CB 3.62Å; F395-F467 HydrophobicContact CB-CE2 4.39Å; F395-F467 HydrophobicContact CD1-CE2 4.12Å; F395-F467 AromaticContact CD1-CZ 3.99Å; F395-F467 HydrophobicContact CD1-CZ 3.99Å; S396-F467 WeakPolarHBondContact O-CD2 3.31Å; L448-F467 HydrophobicContact CD1-CB 3.96Å; L448-F467 HydrophobicContact CD1-CD1 4.3Å; L448-F467 HydrophobicContact CD1-CD2 3.63Å; L448-F467 HydrophobicContact CD1-CE2 4.17Å; L448-F467 HydrophobicContact CD1-CG 3.71Å; L448-F467 HydrophobicContact CD2-CD2 4.27Å; L448-F467 HydrophobicContact CD2-CE2 3.98Å; L448-F467 HydrophobicContact CD2-CZ 4.31Å; L448-F467 HydrophobicContact CG-CD1 4.14Å; L448-F467 HydrophobicContact CG-CD2 3.83Å; L448-F467 HydrophobicContact CG-CE1 4.17Å; L448-F467 HydrophobicContact CG-CE2 3.87Å; L448-F467 HydrophobicContact CG-CG 3.98Å; L448-F467 HydrophobicContact CG-CZ 4.05Å
468S98.5Very high90.3Very high19 Ų1970 Ų7013%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-137.1154.5-173.3-57.30000111F350 S351 F395 S396F350-S468 WeakPolarHBondContact O-CA 3.44Å; S351-S468 PolarHBondContact OG-OG 3.16Å; F395-S468 WeakPolarHBondContact CA-O 3.35Å; S396-S468 PolarHBondContact N-O 3.23Å; S396-S468 PolarHBondContact O-N 2.79Å; S396-S468 VanDerWaalsContact O-O 3.12Å
469G98Very high88.1Confident1 Ų178.1 Ų78.11%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-162.1147169.400000112.3A349 F350 V394A349-G469 CarbonylContact C-O 3.59Å; A349-G469 WeakPolarHBondContact CA-O 3.19Å; F350-G469 WeakPolarHBondContact CD1-O 3.26Å; F350-G469 PolarHBondContact N-O 3.34Å; F350-G469 PolarHBondContact O-N 3.22Å; V394-G469 CarbonylContact O-C 3.56Å; V394-G469 WeakPolarHBondContact O-CA 3.28Å
470F97.3Very high85.5Confident91 Ų9187.3 Ų87.340%0.39943%0.431SS..EExtended strand (participates in β ladder)trans-148.4148.7-178.764-88.1000112.4S348 A349 Y393 V394 L472S348-F470 CarbonylContact O-C 3.15Å; S348-F470 WeakPolarHBondContact O-CA 3.31Å; A349-F470 HydrophobicContact CB-CB 3.83Å; Y393-F470 WeakPolarHBondContact CA-O 3.38Å; Y393-F470 VanDerWaalsContact CD1-C 3.47Å; V394-F470 HydrophobicContact CB-CD1 4.27Å; V394-F470 HydrophobicContact CB-CE1 3.77Å; V394-F470 HydrophobicContact CB-CE2 4.08Å; V394-F470 HydrophobicContact CB-CZ 3.66Å; V394-F470 HydrophobicContact CG1-CE1 3.89Å; V394-F470 HydrophobicContact CG1-CZ 3.98Å; V394-F470 HydrophobicContact CG2-CE1 4.5Å; V394-F470 HydrophobicContact CG2-CE2 4.06Å; V394-F470 HydrophobicContact CG2-CZ 3.89Å; V394-F470 PolarHBondContact N-O 3.38Å; V394-F470 PolarHBondContact O-N 2.79Å; F470-L472 HydrophobicContact CE2-CB 4.34Å; F470-L472 HydrophobicContact CE2-CD1 4.22Å; F470-L472 PolarHBondContact O-N 3.4Å
471L96.8Very high82.8Confident21 Ų2191.2 Ų91.211%0.1145%0.454CS..EExtended strand (participates in β ladder)trans-71.2118.4171.6-17957000109.7P346 S348 A389 Y393 Y473 P474P346-L471 HydrophobicContact CB-CD2 3.99Å; S348-L471 PolarHBondContact O-N 3.38Å; A389-L471 HydrophobicContact CB-CD2 4.03Å; Y393-L471 HydrophobicContact CD1-CB 4.08Å; Y393-L471 HydrophobicContact CD2-CD1 3.95Å; Y393-L471 HydrophobicContact CE1-CB 3.66Å; Y393-L471 HydrophobicContact CE1-CD1 4.35Å; Y393-L471 HydrophobicContact CE2-CD1 3.7Å; Y393-L471 HydrophobicContact CG-CD1 4.41Å; L471-Y473 WeakPolarHBondContact CD1-O 3.1Å; L471-P474 HydrophobicContact CD2-CB 4.15Å
472L95.5Very high80.9Confident66 Ų6694.7 Ų94.735%0.34648%0.477SS..EExtended strand (participates in β ladder)trans-92.4-44.1178177.967.6000111.2T392 V394 F470T392-L472 WeakPolarHBondContact O-CB 2.94Å; T392-L472 PolarHBondContact O-N 3.27Å; V394-L472 HydrophobicContact CG2-CB 4.02Å; V394-L472 HydrophobicContact CG2-CD2 3.89Å; V394-L472 HydrophobicContact CG2-CG 4.46Å; F470-L472 HydrophobicContact CE2-CB 4.34Å; F470-L472 HydrophobicContact CE2-CD1 4.22Å; F470-L472 PolarHBondContact O-N 3.4Å
473Y94Very high80.4Confident149 Ų14990.4 Ų90.458%0.58446%0.459SS*.EExtended strand (participates in β ladder)trans-134.5109.5176.9-56-59.2000110.4G391 T392 L471G391-Y473 CarbonylContact C-O 3.57Å; G391-Y473 VanDerWaalsContact CA-O 3.24Å; G391-Y473 WeakPolarHBondContact CA-O 3.37Å; T392-Y473 HydrophobicContact CG2-CD2 4.32Å; T392-Y473 PolarHBondContact N-O 3.3Å; T392-Y473 PolarHBondContact O-N 3.14Å; T392-Y473 VanDerWaalsContact O-N 3.13Å; L471-Y473 WeakPolarHBondContact CD1-O 3.1Å
474P92.3Very high79.8Confident50 Ų5093.6 Ų93.633%0.32548%0.475SS..EExtended strand (participates in β ladder)trans-61.5139.216826.9-33.7000110P346 L471 E476P346-P474 HydrophobicContact CB-CB 4.09Å; P346-P474 HydrophobicContact CG-CB 3.84Å; P346-P474 HydrophobicContact CG-CG 4.46Å; L471-P474 HydrophobicContact CD2-CB 4.15Å; P474-E476 PolarHBondContact O-N 3.09Å
475E89.5Confident78.9Confident89 Ų8994.4 Ų94.442%0.41648%0.478SS..  trans-76119.2170.1-176145.6-141.500108.8P390 K439 T477P390-E475 HydrophobicContact CB-CB 4.31Å; P390-E475 HydrophobicContact CG-CB 4.45Å; P390-E475 WeakPolarHBondContact O-CB 2.89Å; P390-E475 PolarHBondContact O-N 3.09Å; K439-E475 WeakPolarHBondContact CE-OE2 2.89Å; K439-E475 IonicContact NZ-OE1 3.8Å; K439-E475 PolarHBondContact NZ-OE1 3.41Å; K439-E475 IonicContact NZ-OE2 2.64Å; K439-E475 PolarHBondContact NZ-OE2 3.41Å; E475-T477 PolarHBondContact O-N 2.96Å
476E79.1Confident77.8Confident174 Ų174100 Ų10081%0.81351%0.506SS*.  trans-62.1104.9-178.6-71.7-165.3161.200110.2P474 L478P474-E476 PolarHBondContact O-N 3.09Å; E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 2.69Å
477T60.9Low76.5Confident108 Ų108103.9 Ų103.966%0.66353%0.525SS*.  trans-66.397.5165.747.20000108E475 R479E475-T477 PolarHBondContact O-N 2.96Å; T477-R479 PolarHBondContact O-N 3.42Å
478L49.9Very low75.1Confident161 Ų161110.7 Ų110.784%0.84356%0.56SS**  trans-57.584.2166.9-93.7167.7000108.9E476 K480E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 2.69Å; L478-K480 PolarHBondContact O-N 3.3Å
479R48.4Very low73.4Confident227 Ų227117.3 Ų117.386%0.85759%0.591SS**  trans-60.994.2163.8-72.4-173.9178.5-172.51106.2T477 S481T477-R479 PolarHBondContact O-N 3.42Å; R479-S481 PolarHBondContact O-N 2.89Å
480K41.9Very low71.5Confident200 Ų200126.2 Ų126.287%0.8764%0.635SS**  trans-52.3109158.6-73-176174.8-177.60106L478L478-K480 PolarHBondContact O-N 3.3Å
481S35Very low69.3Low105 Ų105129.2 Ų129.273%0.73466%0.655SS**  trans-57.9133.9170.348.80000108.2R479R479-S481 PolarHBondContact O-N 2.89Å
482P48.7Very low66.8Low200 Ų200139 Ų139100%1.29970%0.704SS**  trans-64.80172.631.1-35.7000111.5

Retrieved 482 of 482 residues in 320.4 ms (Link to these results)