A0A096NVJ5_PAPAN Loading...

Isthmin 1

AlphaFold DB (F7AJE9), UniProt , Accession A0A096NVJ5, Species PAPAN (Papio anubis, Olive baboon), Gene ISM1, Length 464 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
1M60.3Low80.5Confident207 Ų207123.4 Ų123.4100%1.0264%0.643SS**  0-43.10-65.9-143.5-74.900113.2R3 L4 A5M1-R3 PolarHBondContact O-N 2.79Å; M1-L4 PolarHBondContact O-N 3Å; M1-A5 PolarHBondContact O-N 3.2Å; M1-A5 VanDerWaalsContact O-N 3.13Å
2V68.1Low81.4Confident126 Ų126121.3 Ų121.376%0.76463%0.632SS**Hα-helixtrans-63.3-38.2-178.1-176.30000114.2A5 A6V2-A5 PolarHBondContact O-N 3Å; V2-A6 PolarHBondContact O-N 3.44Å; V2-A6 VanDerWaalsContact O-N 3.08Å
3R71.4Confident82.2Confident219 Ų219115.1 Ų115.183%0.82662%0.615SS**Hα-helixtrans-67.8-41.3177.7-74.8-173.1176.5174.3-1.5113.6M1 A5 A6 E7M1-R3 PolarHBondContact O-N 2.79Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.83Å; R3-A6 PolarHBondContact O-N 3.15Å; R3-E7 PolarHBondContact O-N 3.05Å
4L78.3Confident82.9Confident118 Ų118113.6 Ų113.662%0.61861%0.607SS**Hα-helixtrans-64.9-36.4175-90.5139.5000112.1M1 L8M1-L4 PolarHBondContact O-N 3Å; L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 PolarHBondContact O-N 3.24Å
5A81.3Confident83.4Confident48 Ų48114 Ų11440%0.39761%0.608SS.*Hα-helixtrans-66.9-39.2175.100000112M1 V2 R3 L9M1-A5 PolarHBondContact O-N 3.2Å; M1-A5 VanDerWaalsContact O-N 3.13Å; V2-A5 PolarHBondContact O-N 3Å; R3-A5 VanDerWaalsContact C-N 3.32Å; R3-A5 PolarHBondContact O-N 2.83Å; A5-L9 WeakPolarHBondContact O-CB 3.39Å; A5-L9 WeakPolarHBondContact O-CG 3.29Å; A5-L9 PolarHBondContact O-N 3.26Å
6A83.7Confident83.7Confident56 Ų56113.1 Ų113.146%0.46360%0.603SS.*Hα-helixtrans-65.8-43176.400000112.1V2 R3 L9 L10V2-A6 PolarHBondContact O-N 3.44Å; V2-A6 VanDerWaalsContact O-N 3.08Å; R3-A6 PolarHBondContact O-N 3.15Å; A6-L9 PolarHBondContact O-N 3.29Å; A6-L10 WeakPolarHBondContact O-CB 3.5Å; A6-L10 PolarHBondContact O-N 3.03Å
7E85.4Confident83.9Confident127 Ų127112.6 Ų112.659%0.59360%0.599SS**Hα-helixtrans-66-39.3176.9-72.8178-178.600112.4R3 L10 L11R3-E7 PolarHBondContact O-N 3.05Å; E7-L10 PolarHBondContact O-N 2.82Å; E7-L11 WeakPolarHBondContact O-CG 3.38Å; E7-L11 PolarHBondContact O-N 2.98Å
8L88.6Confident83.9Confident107 Ų107110.4 Ų110.456%0.5659%0.591SS**Hα-helixtrans-63.9-40.4174.6-88.3159.1000112.6L4 L10 L11 L12L4-L8 WeakPolarHBondContact O-CB 3.32Å; L4-L8 PolarHBondContact O-N 3.24Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 3Å
9L87.9Confident83.9Confident123 Ų123110.1 Ų110.164%0.64459%0.589SS**Hα-helixtrans-66.6-36.4175.9-76.4168000112.1A5 A6 L12 G13A5-L9 WeakPolarHBondContact O-CB 3.39Å; A5-L9 WeakPolarHBondContact O-CG 3.29Å; A5-L9 PolarHBondContact O-N 3.26Å; A6-L9 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-G13 PolarHBondContact O-N 3.39Å
10L89.5Confident83.5Confident118 Ų118111.2 Ų111.262%0.61859%0.59SS**Hα-helixtrans-69.1-40.2178.4-139.7148.9000111.3A6 E7 L8 G13 L14A6-L10 WeakPolarHBondContact O-CB 3.5Å; A6-L10 PolarHBondContact O-N 3.03Å; E7-L10 PolarHBondContact O-N 2.82Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-G13 PolarHBondContact O-N 3.07Å; L10-L14 HydrophobicContact CD2-CD1 4.03Å; L10-L14 PolarHBondContact O-N 2.8Å
11L90.4Very high83.2Confident108 Ų108110 Ų11057%0.56558%0.583SS**Hα-helixtrans-66.5-39.9173.4-72.2171.2000112.5E7 L8 G13 L14 L15E7-L11 WeakPolarHBondContact O-CG 3.38Å; E7-L11 PolarHBondContact O-N 2.98Å; L8-L11 PolarHBondContact O-N 3.45Å; L11-G13 VanDerWaalsContact C-N 3.35Å; L11-L14 PolarHBondContact O-N 3.02Å; L11-L15 PolarHBondContact O-N 3.38Å
12L91.9Very high83.9Confident99 Ų99104.4 Ų104.452%0.51856%0.56SS.*Hα-helixtrans-62.8-41.2173.5-109.6148.5000111.8L8 L9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 PolarHBondContact O-N 3Å; L9-L12 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 3.39Å
13G91.5Very high84Confident40 Ų40102.1 Ų102.141%0.41255%0.546SS..Hα-helixtrans-61.7-44174.900000112.9L9 L10 L11 L16 L17L9-G13 PolarHBondContact O-N 3.39Å; L10-G13 PolarHBondContact O-N 3.07Å; L11-G13 VanDerWaalsContact C-N 3.35Å; G13-L16 PolarHBondContact O-N 2.91Å; G13-L17 WeakPolarHBondContact O-CB 3.31Å; G13-L17 PolarHBondContact O-N 2.92Å
14L91.6Very high83.4Confident95 Ų9598.5 Ų98.550%0.49754%0.543SS..Hα-helixtrans-64.4-39.1175.8-79160.5000112.4L10 L11 L17 T18L10-L14 HydrophobicContact CD2-CD1 4.03Å; L10-L14 PolarHBondContact O-N 2.8Å; L11-L14 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 3.23Å; L14-T18 WeakPolarHBondContact O-CG2 3.25Å; L14-T18 PolarHBondContact O-N 3.45Å; L14-T18 PolarHBondContact O-OG1 3.13Å
15L90.4Very high82.3Confident119 Ų119103.4 Ų103.462%0.62355%0.553SS**Hα-helixtrans-64.6-42.5175.3-99.1160.5000112.6L11 L12 T18 L19L11-L15 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-T18 WeakPolarHBondContact CA-OG1 3.45Å; L15-T18 PolarHBondContact O-N 2.73Å; L15-T18 PolarHBondContact O-OG1 3.42Å; L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.87Å
16L89.3Confident80.7Confident100 Ų100104.1 Ų104.152%0.52457%0.565SS.*Hα-helixtrans-67.6-37.5176.3-69.2171.6000112.1L12 G13 L19 H20L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 3.39Å; G13-L16 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.37Å; L16-H20 PolarHBondContact O-N 3.38Å
17L87.1Confident78.9Confident104 Ų104106.4 Ų106.455%0.54558%0.578SS.*Hα-helixtrans-66.6-42.9177.2-165120.9000111.5G13 L14 H20 I21G13-L17 WeakPolarHBondContact O-CB 3.31Å; G13-L17 PolarHBondContact O-N 2.92Å; L14-L17 PolarHBondContact O-N 3.23Å; L17-H20 PolarHBondContact O-N 2.88Å; L17-I21 HydrophobicContact CD2-CD1 3.69Å; L17-I21 HydrophobicContact CG-CD1 4.28Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 3.29Å
18T82.9Confident77Confident74 Ų74103.6 Ų103.645%0.45458%0.583SS.*Hα-helixtrans-65.2-37.3174.6510000112.4L14 L15 I21 T22L14-T18 WeakPolarHBondContact O-CG2 3.25Å; L14-T18 PolarHBondContact O-N 3.45Å; L14-T18 PolarHBondContact O-OG1 3.13Å; L15-T18 WeakPolarHBondContact CA-OG1 3.45Å; L15-T18 PolarHBondContact O-N 2.73Å; L15-T18 PolarHBondContact O-OG1 3.42Å; T18-I21 PolarHBondContact O-N 2.92Å; T18-T22 WeakPolarHBondContact O-CG2 3.44Å; T18-T22 PolarHBondContact O-N 3.45Å; T18-T22 PolarHBondContact O-OG1 3.23Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å
19L83.6Confident74.8Confident104 Ų104103.3 Ų103.355%0.54560%0.596SS.*Hα-helixtrans-64.9-40.9173.4-164.481.9000111.9L15 L16 T22 V23L15-L19 WeakPolarHBondContact O-CB 3.49Å; L15-L19 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 3.37Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 3.18Å; L19-T22 PolarHBondContact O-OG1 2.95Å; L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.26Å; L19-V23 PolarHBondContact O-N 3.44Å
20H76.2Confident72.3Confident131 Ų131102.7 Ų102.761%0.60661%0.609SS**Hα-helixtrans-66.5-38.7176.1-90.2-34.6000112.8L16 L17 V23 L24L16-H20 PolarHBondContact O-N 3.38Å; L17-H20 PolarHBondContact O-N 2.88Å; H20-V23 PolarHBondContact O-N 3.17Å; H20-L24 WeakPolarHBondContact O-CB 3.44Å; H20-L24 VanDerWaalsContact O-CG 3.29Å; H20-L24 WeakPolarHBondContact O-CG 3.35Å; H20-L24 PolarHBondContact O-N 3.03Å
21I77.9Confident69.9Low88 Ų88105.2 Ų105.245%0.45162%0.623SS.*Hα-helixtrans-66.3-39176.3-67.1164.9000111.1L17 T18 R25L17-I21 HydrophobicContact CD2-CD1 3.69Å; L17-I21 HydrophobicContact CG-CD1 4.28Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 3.29Å; T18-I21 PolarHBondContact O-N 2.92Å; I21-R25 VanDerWaalsContact O-CB 3.29Å; I21-R25 WeakPolarHBondContact O-CB 3.36Å; I21-R25 PolarHBondContact O-N 2.89Å; I21-R25 VanDerWaalsContact O-N 3.08Å
22T73.9Confident67.1Low88 Ų88103 Ų10354%0.5463%0.626SS.*Hα-helixtrans-72.4-35178.1540000112.5T18 L19 R25 G26T18-T22 WeakPolarHBondContact O-CG2 3.44Å; T18-T22 PolarHBondContact O-N 3.45Å; T18-T22 PolarHBondContact O-OG1 3.23Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 3.18Å; L19-T22 PolarHBondContact O-OG1 2.95Å; T22-R25 PolarHBondContact O-N 3.38Å; T22-G26 PolarHBondContact O-N 2.83Å
23V71.9Confident65.4Low78 Ų78103.3 Ų103.347%0.47363%0.634SS.*Hα-helixtrans-68.1-44.6173.51720000111.3L19 H20 R25 G26 S27L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.26Å; L19-V23 PolarHBondContact O-N 3.44Å; H20-V23 PolarHBondContact O-N 3.17Å; V23-R25 PolarHBondContact O-N 2.87Å; V23-G26 PolarHBondContact O-N 2.93Å; V23-G26 VanDerWaalsContact O-N 3.1Å; V23-S27 PolarHBondContact O-N 2.79Å; V23-S27 PolarHBondContact O-OG 3.42Å
24L58.9Low62.5Low143 Ų143108.8 Ų108.875%0.74965%0.654SS**Hα-helixtrans-63.9-29.2176.5-75.6166.6000112.8H20H20-L24 WeakPolarHBondContact O-CB 3.44Å; H20-L24 VanDerWaalsContact O-CG 3.29Å; H20-L24 WeakPolarHBondContact O-CG 3.35Å; H20-L24 PolarHBondContact O-N 3.03Å
25R54.6Low59.6Low221 Ų221108.8 Ų108.883%0.83467%0.668SS**Hα-helixtrans-85.4-16.2176.3-153171.6-175.7151.91113.2I21 T22 V23I21-R25 VanDerWaalsContact O-CB 3.29Å; I21-R25 WeakPolarHBondContact O-CB 3.36Å; I21-R25 PolarHBondContact O-N 2.89Å; I21-R25 VanDerWaalsContact O-N 3.08Å; T22-R25 PolarHBondContact O-N 3.38Å; V23-R25 PolarHBondContact O-N 2.87Å
26G47.9Very low56.9Low63 Ų63108 Ų10865%0.64968%0.678SS**Hα-helixtrans-94.7-9.1-179.200000115.4T22 V23T22-G26 PolarHBondContact O-N 2.83Å; V23-G26 PolarHBondContact O-N 2.93Å; V23-G26 VanDerWaalsContact O-N 3.1Å
27S45.8Very low54.2Low104 Ų104108.4 Ų108.473%0.72770%0.696SS**SBendtrans-98.89.9-178.3-52.90000115V23V23-S27 PolarHBondContact O-N 2.79Å; V23-S27 PolarHBondContact O-OG 3.42Å
28G45.5Very low51.4Low69 Ų69106.6 Ų106.671%0.71170%0.703SS**SBendtrans-119.747.9-17500000114.6
29A41.2Very low48.8Very low101 Ų101111.1 Ų111.184%0.83572%0.724SS**  trans-169.296.2162.200000111
30A36.2Very low46.3Very low110 Ų110110.2 Ų110.291%0.90973%0.732SS**  trans-123.2129.5154.900000107.1
31D39.2Very low44.2Very low170 Ų170109.4 Ų109.491%0.90974%0.741SS**  trans-111.2162.9-155.1-158.86000111.7
32G32.1Very low42Very low61 Ų61117.2 Ų117.263%0.62976%0.764SS**  trans151.5140.9154.500000115.9
33P55.8Low39.8Very low107 Ų107116.9 Ų116.970%0.69577%0.771SS**  cis-135.2179.4-40.637.5-20.5000113.9
34D31.1Very low37.9Very low154 Ų154121.9 Ų121.982%0.82479%0.789SS**  trans89.298.2158.7-56.3-27.5000119.5
35A30.8Very low36.5Very low96 Ų96123.7 Ų123.779%0.79380%0.798SS**  170118.4104.300000113
36A33.4Very low35.4Very low101 Ų101121 Ų12184%0.83580%0.796SS**  trans56.6129.4137.400000122.6
37A32.5Very low34.5Very low109 Ų109124.3 Ų124.390%0.90180%0.798SS**  trans86.592.6148.900000118.2
38G27.6Very low33.6Very low67 Ų67125.6 Ų125.669%0.69180%0.797SS**  trans-124127.2154.100000110.2
39N28.7Very low32.8Very low169 Ų169129 Ų12990%0.90480%0.798SS**  trans170139.5144.6-86.9-10.8000107.7
40A31.3Very low32.1Very low85 Ų85130.5 Ų130.570%0.70279%0.792SS**  cis-166.6150.1-6.700000108.7
41S31.7Very low31.7Very low114 Ų114132 Ų13280%0.79779%0.789SS**  trans0.7136.1145.7-37.30000122.1
42R30.7Very low31.1Very low251 Ų251127.6 Ų127.695%0.94778%0.784SS**  73.1136.8121.3-158.7171.3-175.2147.2-0.2120.3
43A29.5Very low30.8Very low81 Ų81129.4 Ų129.467%0.66979%0.788SS**  trans-69.5152.1-173.900000116.9
44Q30.6Very low29.4Very low184 Ų184131.5 Ų131.586%0.8679%0.793SS**  trans48.2116.7146.1-79.2176.6-46.200120.3
45L29.6Very low29.2Very low180 Ų180128.2 Ų128.294%0.94278%0.782SS**  trans-159.1147.8130.1-107.8146.5000111.2
46Q31.9Very low29.1Very low166 Ų166129.8 Ų129.878%0.77678%0.782SS**  trans-76.8161.3-166.5-111.3161.1-35.200115.5
47N28.5Very low28.8Very low132 Ų132129.8 Ų129.871%0.70678%0.775SS**  trans104119.6144.1-71.6-12.5000121.2
48N28.3Very low28.6Very low131 Ų131133 Ų13370%0.70177%0.772SS**  trans92.6110.8130.9-76.7-21.9000122.2
49L28.5Very low28.5Very low140 Ų140135.3 Ų135.373%0.73377%0.773SS**  85.4134.3122.4-72.3165.3000121.7
50N26.7Very low28.4Very low133 Ų133132.2 Ų132.271%0.71176%0.764SS**  trans86.6108150.7-73.80.9000118.4
51V26.5Very low28Very low140 Ų140137.5 Ų137.585%0.84877%0.772SS**  85.2119.380.3162.60000110.7
52G26.8Very low27.6Very low78 Ų78136.9 Ų136.980%0.80477%0.768SS**  trans170.487.5174.500000110.3
53S27.3Very low27.3Very low100 Ų100132.4 Ų132.470%0.69976%0.762SS**  trans-7916517947.60000113.4
54D25.1Very low27Very low151 Ų151134.4 Ų134.481%0.80777%0.771SS**  trans77.7142.4146.8-78-12.3000119.1
55S28.2Very low26.8Very low85 Ų85133.6 Ų133.659%0.59476%0.764SS**  cis-178.7168.5-3.147.10000110
56T27Very low26.6Very low129 Ų129132.7 Ų132.779%0.79176%0.755SS**  trans78.6141.4153.171.10000118
57S27.3Very low26.2Very low100 Ų100133 Ų13370%0.69976%0.757SS**  cis-161.1133.724.9270000108.7
58E28.2Very low26.6Very low178 Ų178132.2 Ų132.283%0.83276%0.759SS**  58.2142102.6-61.6-161.9165.100115.2
59T26.3Very low26.4Very low115 Ų115129.6 Ų129.671%0.70676%0.762SS**  cis-173.1143.86.913.40000104.2
60S25.8Very low26.3Very low104 Ų104132.2 Ų132.273%0.72777%0.771SS**  160.1136.176.342.60000111.4
61F23.3Very low26.1Very low195 Ų195136.2 Ų136.286%0.85578%0.776SS**  trans45.4114140.9-75.7-89.8000122.6
62S23.8Very low26.1Very low102 Ų102137.7 Ų137.771%0.71378%0.778SS**  91.6143.278.579.20000113
63L23.6Very low26Very low157 Ų157140.4 Ų140.482%0.82277%0.774SS**  cis-174.1144.118.1-178.374.6000107.9
64S23.5Very low26.1Very low122 Ų122145.2 Ų145.285%0.85379%0.785SS**  trans-177.7125.9135.6-76.10000112.2
65K27.1Very low26.2Very low168 Ų168147.3 Ų147.373%0.7379%0.79SS**  trans-60.7166.5171.3-94.7177.7152.3-157.40113
66E24.3Very low26.1Very low160 Ų160147.8 Ų147.875%0.74880%0.799SS**  cis-163.9163.222.1-129.5155.5-179.400111.4
67E24.5Very low26.2Very low174 Ų174146.3 Ų146.381%0.81380%0.8SS**  trans-84.8-164.1-171.1-104.9-155.7161.500116
68P37.1Very low26.3Very low115 Ų115151.1 Ų151.175%0.74781%0.811SS**  cis-136.6172.6-5.620.45.4000116.1
69G24.8Very low26.3Very low75 Ų75151 Ų15177%0.77381%0.81SS**  trans172.191.7159.400000113.7
70E24.8Very low26.5Very low195 Ų195151.3 Ų151.391%0.91182%0.815SS**  trans-64.2147-169.1-77.9171.6112.800116.9
71R23.2Very low26.6Very low218 Ų218156.1 Ų156.182%0.82382%0.823SS**  trans-66.9148.2164.6-101.1172.4156.6171.4-6.8112
72L25.8Very low26.8Very low171 Ų171152.3 Ų152.390%0.89582%0.818SS**  trans-148.5117.3146.4-109.8144.1000110.8
73D25.7Very low27.2Very low134 Ų134159.1 Ų159.172%0.71783%0.828SS**  trans-69.5139.8171-78.8-57.9000111
74H28.1Very low27.5Very low201 Ų201157.3 Ų157.393%0.93183%0.825SS**  trans-92112.5170.8-81.4-53.7000111.2
75Q27Very low27.4Very low195 Ų195163.5 Ų163.591%0.91183%0.83SS**  trans-138.6112.6160.3-132.5171.35.300108.2
76A27.6Very low27.3Very low95 Ų95165.4 Ų165.479%0.78584%0.839SS**  trans-161.7110.8163.600000107.3
77A28.6Very low27.3Very low98 Ų98169.1 Ų169.181%0.8185%0.846SS**  62.3106.366.200000112.5
78H29.9Very low27.3Very low202 Ų202169.6 Ų169.694%0.93585%0.848SS**  trans-64.4128.7178.9-71.7-86000112.3
79Q28.6Very low26.7Very low174 Ų174173.5 Ų173.581%0.81386%0.856SS**  trans-133.1153158.1-109-169.2-23.600110.1
80P28.7Very low26.7Very low122 Ų122178.8 Ų178.879%0.79286%0.863SS**PPolyproline II helixtrans-84.7143.8-168.732.8-32000113.3
81F29.8Very low26.7Very low205 Ų205173 Ų17390%0.89986%0.857SS**PPolyproline II helixtrans-84.3149.5-177.1-80.4-85.7000113.9
82P27.5Very low26.9Very low116 Ų116171.6 Ų171.675%0.75386%0.859SS**PPolyproline II helixtrans-89.6153.2-170.735.4-34000114.6
83R30.3Very low26.9Very low244 Ų244169.6 Ų169.692%0.92186%0.856SS**PPolyproline II helixtrans-68.8144.4170.6-71.3177.8170.2177.7-4.1112
84P29.8Very low27Very low119 Ų119168.4 Ų168.477%0.77386%0.858SS**PPolyproline II helixtrans-85.6135.8166.827.8-21.1000112.2
85R23.4Very low27Very low253 Ų253167.4 Ų167.496%0.95586%0.859SS**PPolyproline II helixtrans-73.5128.1169.3-88.7175.5167165.6-4.2110
86F24.6Very low27.2Very low208 Ų208166.6 Ų166.691%0.91286%0.855SS**PPolyproline II helixtrans-99.7138.3159.5-105.1-89.3000110.8
87R23.1Very low27.3Very low237 Ų237172.7 Ų172.789%0.89486%0.858SS**PPolyproline II helixtrans-88.6134.7-170.7-178.9175.6178.2170.3-2.1109.7
88Q26Very low27.2Very low184 Ų184175.9 Ų175.986%0.8686%0.861SS**PPolyproline II helixtrans-64.5134.2172.2-83.2172.8-29.100111.3
89E22.8Very low27.4Very low197 Ų197168.9 Ų168.992%0.92184%0.844SS**  trans-129.5132.2154.8-111.8177.4-17700109
90M24.6Very low28Very low186 Ų186166.9 Ų166.992%0.91685%0.846SS**  trans-108.7130.1-173.6-173.2-178.7-70.800107.8
91G25Very low28.2Very low75 Ų75172.4 Ų172.477%0.77385%0.851SS**  trans-179.590.117500000113.3
92H27.3Very low28.4Very low188 Ų188167.4 Ų167.487%0.8784%0.841SS**  trans-83.6154.4160.5-72.1-72.8000110
93P27.4Very low28.6Very low128 Ų128171.6 Ų171.683%0.83185%0.848SS**  -133.4153.5106.630.3-15.6000114.1
94S27.6Very low28.7Very low109 Ų109166 Ų16676%0.76284%0.835SS**  trans-70.6135.6-175.352.70000114.9
95L28Very low29Very low180 Ų180166.8 Ų166.894%0.94283%0.833SS**  trans-126.8126.1147.7-92.3166.3000108.9
96Q29.9Very low29.7Very low179 Ų179159.9 Ų159.984%0.83682%0.815SS**  trans-70.2132.1-174.5-91.9168.8-32.300112.6
97R30.9Very low30.6Very low222 Ų222156.2 Ų156.284%0.83880%0.804SS**  67.798.3128.4-156173.9-147.5159.84.6117.7
98D25.9Very low31.6Very low165 Ų165149.6 Ų149.688%0.88279%0.792SS**  -148.5119.5112.6-104.4-27.5000108.9
99G34.3Very low32.4Very low56 Ų56147.7 Ų147.758%0.57779%0.788SS**  trans-71155.3-178.700000111.3R101G99-R101 PolarHBondContact O-N 3.28Å
100P40.8Very low33.1Very low131 Ų131146 Ų14685%0.85178%0.778SS**  trans-65.3111.9168.327.3-28.7000106.4S102P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 2.73Å
101R32.8Very low34Very low239 Ų239143 Ų14390%0.90277%0.772SS**  trans-52.8106162.3-76.1-177.9172.6-178.2-2.2105.8G99 F103G99-R101 PolarHBondContact O-N 3.28Å; R101-F103 PolarHBondContact O-N 3.31Å
102S33.5Very low34.7Very low99 Ų99146.6 Ų146.669%0.69277%0.773SS**  trans-48.8123.8160.840.10000106.1P100 L104P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 2.73Å; S102-L104 PolarHBondContact O-N 2.61Å
103F31.9Very low35.5Very low204 Ų204144.7 Ų144.790%0.89577%0.768SS**  trans-65.487.7155.5-89.5-89.9000105.6R101 L105R101-F103 PolarHBondContact O-N 3.31Å; F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 3.2Å
104L32.8Very low36Very low126 Ų126144 Ų14466%0.6677%0.767SS**  trans-65.4102.3162.5-162.6161.3000104.2S102 D106S102-L104 PolarHBondContact O-N 2.61Å; L104-D106 HydrophobicContact CD2-CB 4.12Å; L104-D106 PolarHBondContact O-N 3.33Å
105L35.7Very low36.6Very low137 Ų137148.4 Ų148.472%0.71777%0.772SS**  trans-63.887.5169.8-103151.8000106.8F103 L107F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 3.2Å; L105-L107 HydrophobicContact CB-CD1 3.68Å; L105-L107 HydrophobicContact CD2-CD1 3.74Å; L105-L107 HydrophobicContact CG-CD1 4.29Å; L105-L107 WeakPolarHBondContact O-CD1 3.42Å; L105-L107 PolarHBondContact O-N 2.87Å
106D38.6Very low37.2Very low107 Ų107143.1 Ų143.157%0.57276%0.755SS**  trans-74.681.8176.9-146.33.6000107.5L104 P108L104-D106 HydrophobicContact CD2-CB 4.12Å; L104-D106 PolarHBondContact O-N 3.33Å; D106-P108 VanDerWaalsContact C-N 3.31Å; D106-P108 VanDerWaalsContact O-CD 3.26Å; D106-P108 WeakPolarHBondContact O-CD 3.22Å; D106-P108 WeakPolarHBondContact OD1-CD 3.35Å
107L43.6Very low37.6Very low131 Ų131141 Ų14169%0.68675%0.75SS**THydrogen-bonded Turntrans-67.86.8178.2-99.881.8000117.4L105L105-L107 HydrophobicContact CB-CD1 3.68Å; L105-L107 HydrophobicContact CD2-CD1 3.74Å; L105-L107 HydrophobicContact CG-CD1 4.29Å; L105-L107 WeakPolarHBondContact O-CD1 3.42Å; L105-L107 PolarHBondContact O-N 2.87Å
108P43.3Very low38.3Very low99 Ų99138.4 Ų138.464%0.64375%0.75SS**THydrogen-bonded Turntrans-84.7-10.5173.1-10.727.4000115.9D106D106-P108 VanDerWaalsContact C-N 3.31Å; D106-P108 VanDerWaalsContact O-CD 3.26Å; D106-P108 WeakPolarHBondContact O-CD 3.22Å; D106-P108 WeakPolarHBondContact OD1-CD 3.35Å
109N43.3Very low39Very low144 Ų144137.3 Ų137.377%0.7774%0.744SS**SBendtrans-114.520.5-171.6-88.2-27.6000115.7P111N109-P111 WeakPolarHBondContact O-CD 3.45Å
110F37.3Very low39.1Very low162 Ų162138 Ų13871%0.71175%0.751SS**  trans-101.3107.8166.1-81.9-83.5000110.6D112F110-D112 PolarHBondContact O-N 3.18Å
111P43.2Very low39Very low123 Ų123140.2 Ų140.280%0.79975%0.75SS**THydrogen-bonded Turntrans-89.379.8177.735.3-28.7000109.1N109N109-P111 WeakPolarHBondContact O-CD 3.45Å
112D40.5Very low39.1Very low150 Ų150135.2 Ų135.280%0.80274%0.741SS**THydrogen-bonded Turntrans-169.312.8149.5-136.7-0.6000116.6F110F110-D112 PolarHBondContact O-N 3.18Å
113L43.8Very low39.4Very low147 Ų147132.3 Ų132.377%0.7772%0.72SS**  trans-122.519.4179.9-65.9176000113.9K115L113-K115 PolarHBondContact O-N 3.35Å
114S38.9Very low39.5Very low115 Ų115127.2 Ų127.280%0.80470%0.702SS**THydrogen-bonded Turntrans-79.312.2178.758.30000114.8
115K40.4Very low39.8Very low200 Ų200128.5 Ų128.587%0.8771%0.709SS**THydrogen-bonded Turntrans-136.19.4179.2-64.8-168.9-178.6179.40115.6L113 D117L113-K115 PolarHBondContact O-N 3.35Å; K115-D117 PolarHBondContact O-N 3.37Å
116A39Very low39.6Very low70 Ų70128.1 Ų128.158%0.57970%0.703SS**  trans-86.1100173.800000109.7I118A116-I118 PolarHBondContact O-N 2.97Å
117D39.1Very low39.2Very low135 Ų135127.4 Ų127.472%0.72270%0.702SS**  trans-72.6118.1175.1-173.510.4000110.3K115 N119K115-D117 PolarHBondContact O-N 3.37Å; D117-N119 PolarHBondContact O-N 3.37Å; D117-N119 WeakPolarHBondContact OD1-CB 3.18Å; D117-N119 PolarHBondContact OD1-N 3.4Å
118I46.4Very low38.8Very low166 Ų166126.8 Ų126.885%0.85170%0.704SS**THydrogen-bonded Turntrans-88.79.6-175.3-36.1179.4000110.8A116A116-I118 PolarHBondContact O-N 2.97Å
119N40.7Very low38.5Very low142 Ų142129.2 Ų129.276%0.75971%0.71SS**THydrogen-bonded Turntrans-103.48.1-178.8-117.19.9000115.1D117 Q121D117-N119 PolarHBondContact O-N 3.37Å; D117-N119 WeakPolarHBondContact OD1-CB 3.18Å; D117-N119 PolarHBondContact OD1-N 3.4Å; N119-Q121 PolarHBondContact O-N 3.18Å; N119-Q121 VanDerWaalsContact O-N 3.08Å
120G34.8Very low38Very low70 Ų70130.7 Ų130.772%0.72271%0.712SS**  trans-76.590.2177.200000113.4N122G120-N122 PolarHBondContact O-N 2.55Å
121Q39.6Very low37.9Very low178 Ų178128.8 Ų128.883%0.83271%0.714SS**  trans-63.1117.4162-88.2169.9-22.700110.1N119 P123N119-Q121 PolarHBondContact O-N 3.18Å; N119-Q121 VanDerWaalsContact O-N 3.08Å; Q121-P123 WeakPolarHBondContact O-CD 3.45Å
122N35.5Very low37.6Very low134 Ų134129 Ų12972%0.71771%0.713SS**  trans-59.7112.9167.8-177.96.5000110.2G120G120-N122 PolarHBondContact O-N 2.55Å
123P39.2Very low37.4Very low38 Ų38129.1 Ų129.125%0.24771%0.713CS.*  trans-105.7117.1-174.727.6-9.9000111.7Q121 T255Q121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-T255 HydrophobicContact CB-CG2 3.73Å; P123-T255 HydrophobicContact CG-CG2 3.3Å
124N34Very low37Very low97 Ų97125.1 Ų125.152%0.51971%0.707SS.*  trans54.393149-78.6-37.2000118.5Q126 S253N124-Q126 PolarHBondContact O-N 3.2Å; N124-S253 PolarHBondContact O-OG 2.9Å
125I38.5Very low37.1Very low154 Ų154125.6 Ų125.679%0.7971%0.708SS**  trans-86.3102.7147.8-67.1170000107.3V127I125-V127 HydrophobicContact CG2-CG2 3.64Å
126Q30.9Very low37Very low129 Ų129124 Ų12460%0.60371%0.709SS**  trans-105.1107.3159.1-78.1-176.8-7.100107.3N124N124-Q126 PolarHBondContact O-N 3.2Å
127V30.8Very low36.7Very low91 Ų91126.4 Ų126.455%0.55272%0.721SS**  trans-101.1110.6168.3-174.90000107.2I125 I129I125-V127 HydrophobicContact CG2-CG2 3.64Å; V127-I129 HydrophobicContact CG1-CG1 4.19Å
128T35.6Very low36.3Very low119 Ų119129 Ų12973%0.7373%0.729SS**  trans-105.6117.3168.443.50000107.7
129I36.1Very low35.8Very low150 Ų150125.8 Ų125.877%0.76973%0.727SS**  trans-95.2107.1172.4-58.7171.5000106.2V127V127-I129 HydrophobicContact CG1-CG1 4.19Å
130E32.8Very low35.3Very low175 Ų175127 Ų12782%0.81873%0.734SS**PPolyproline II helixtrans-88.3122.2168.3-73.9-175.9165.300108.6
131V35.4Very low35.3Very low121 Ų121132.1 Ų132.173%0.73374%0.736SS**PPolyproline II helixtrans-88.7118.1168.7-179.10000106.5
132V37.7Very low34.8Very low129 Ų129129.8 Ų129.878%0.78273%0.729SS**PPolyproline II helixtrans-82.5118.6171.9178.70000107.6G134V132-G134 PolarHBondContact O-N 3.24Å
133D36.3Very low34.5Very low152 Ų152131.4 Ų131.481%0.81373%0.732SS**PPolyproline II helixtrans-63.2120.7169.9-73-48.3000109.4
134G35.5Very low33.9Very low62 Ų62138 Ų13864%0.63976%0.76SS**PPolyproline II helixtrans-73.9152.9174.800000111.7V132V132-G134 PolarHBondContact O-N 3.24Å
135P40.1Very low33.9Very low126 Ų126139.2 Ų139.282%0.81877%0.772SS**PPolyproline II helixtrans-72.3144.1-176.130-32.8000111.9S137P135-S137 PolarHBondContact O-N 2.97Å
136D38.7Very low33.4Very low166 Ų166139.6 Ų139.689%0.88877%0.771SS**  trans-45.5130.7173.2-59.1-58.4000112.1
137S33.7Very low33.1Very low120 Ų120141.4 Ų141.484%0.83979%0.785SS**  trans-124.5119.8160.351.50000109.4P135P135-S137 PolarHBondContact O-N 2.97Å
138E30.5Very low33.1Very low191 Ų191146.6 Ų146.689%0.89380%0.8SS**  trans-61.8148.9-177.8-62.9174.1138.700111.4
139A35.4Very low32.9Very low98 Ų98147 Ų14781%0.8181%0.805SS**  trans-61.2135.4174.100000111.2
140D31.1Very low32.5Very low167 Ų167144.4 Ų144.489%0.89380%0.8SS**  trans-143.5138.5142-131.3-16.8000112
141K33.7Very low32.2Very low178 Ų178148.4 Ų148.477%0.77481%0.808SS**  trans-80.7141-177-72.8178.6166-178.40110
142D29.1Very low31.8Very low128 Ų128148.3 Ų148.368%0.68481%0.812SS**  171.1137.4104.9-96.1-28.5000114.8
143Q29.1Very low31.6Very low169 Ų169148.6 Ų148.679%0.7981%0.814SS**  trans73.1104.1141.5-66.4168.759.400121.6
144H26.5Very low31.5Very low177 Ų177146.9 Ų146.982%0.81981%0.811SS**  trans-64.6158.5151.5-108.2-68.8000111.6
145P33.9Very low31.3Very low121 Ų121149 Ų14979%0.78682%0.816SS**  -140.3142.783.430.6-10.9000116.9
146E28.3Very low31.2Very low163 Ų163148.7 Ų148.776%0.76281%0.814SS**  trans17.5127.3147.3-56.5-169.4145.800121.5
147N25.2Very low31.2Very low166 Ų166146.6 Ų146.689%0.88880%0.803SS**  -159.9117.4120.5-97-31.4000110.7
148K29.9Very low31.5Very low201 Ų201149.1 Ų149.187%0.87479%0.794SS**  trans-84.2152.8161.6-75.8178.7176.4173.20108.9
149P32Very low32Very low128 Ų128148.7 Ų148.783%0.83178%0.784SS**  -126.9144.8112.415.82.3000112.5
150S27.7Very low32.3Very low94 Ų94147.7 Ų147.766%0.65778%0.776SS**  trans-61.1134170.4520000112.5
151W26.7Very low32.6Very low260 Ų260148.5 Ų148.599%0.98577%0.767SS**  trans-138.6118.3141.8-81.4-20.5000110.1
152S27.3Very low32.8Very low119 Ų119147 Ų14783%0.83276%0.757SS**PPolyproline II helixtrans-79.7123.6173.9-34.70000108.6
153V33.6Very low33.3Very low134 Ų134148.2 Ų148.281%0.81276%0.758SS**PPolyproline II helixtrans-97.6131170.3179.20000108.5
154P32.5Very low33.6Very low116 Ų116150.7 Ų150.775%0.75376%0.76SS**PPolyproline II helixtrans-73.7144.5178.7-11.627.2000112.6
155S32.2Very low34.1Very low108 Ų108146.5 Ų146.576%0.75575%0.751SS**PPolyproline II helixtrans-68.1145.2171.1-179.40000111.7D157S155-D157 PolarHBondContact O-N 3.1Å
156P38.5Very low34.1Very low119 Ų119148 Ų14877%0.77375%0.751SS**PPolyproline II helixtrans-68.8126.7177-1630.1000112.4W158P156-W158 PolarHBondContact O-N 2.81Å
157D38.6Very low34.3Very low122 Ų122145 Ų14565%0.65275%0.748SS**  trans-81.7100.8-170.3-146.5-8.9000111.9S155 R159S155-D157 PolarHBondContact O-N 3.1Å; D157-R159 PolarHBondContact O-N 2.66Å; D157-R159 WeakPolarHBondContact OD1-CG 3.24Å
158W40Very low34.4Very low172 Ų172145.7 Ų145.765%0.65275%0.751SS**THydrogen-bonded Turntrans-76.4-1.4179.661.1-80.5000113.9P156 A160 W161 W162P156-W158 PolarHBondContact O-N 2.81Å; W158-A160 PolarHBondContact O-N 2.71Å; W158-A160 VanDerWaalsContact O-N 3.17Å; W158-W161 PolarHBondContact O-N 3.2Å; W158-W162 AromaticContact CE3-CD1 3.18Å; W158-W162 HydrophobicContact CE3-CG 4.36Å; W158-W162 AromaticContact CE3-NE1 3.14Å; W158-W162 AromaticContact CZ3-CD1 3.23Å; W158-W162 AromaticContact CZ3-CE2 3.92Å; W158-W162 HydrophobicContact CZ3-CG 4.11Å; W158-W162 AromaticContact CZ3-NE1 3.1Å
159R41.2Very low34.3Very low182 Ų182141 Ų14169%0.68775%0.75SS**Hα-helixtrans-61.5-20.9179.5-73.2-178.6178.9-116.9-0.3113.8D157 W161D157-R159 PolarHBondContact O-N 2.66Å; D157-R159 WeakPolarHBondContact OD1-CG 3.24Å; R159-W161 PolarHBondContact O-N 2.78Å
160A41.6Very low34.1Very low78 Ų78146.6 Ų146.665%0.64576%0.755SS**Hα-helixtrans-76-16.818000000114.5W158W158-A160 PolarHBondContact O-N 2.71Å; W158-A160 VanDerWaalsContact O-N 3.17Å
161W38.1Very low34.1Very low184 Ų184146.6 Ų146.670%0.69776%0.76SS**Hα-helixtrans-85.4-37.1178.8-168.171.6000112.4W158 R159 Q163 R164W158-W161 PolarHBondContact O-N 3.2Å; R159-W161 PolarHBondContact O-N 2.78Å; W161-Q163 VanDerWaalsContact C-N 3.33Å; W161-Q163 PolarHBondContact O-N 3.17Å; W161-R164 PolarHBondContact O-N 3.35Å
162W37.7Very low34Very low146 Ų146141.8 Ų141.855%0.55375%0.754SS**Hα-helixtrans-75.5-16.9-176.9-70.991.8000114.7W158 R164 S165W158-W162 AromaticContact CE3-CD1 3.18Å; W158-W162 HydrophobicContact CE3-CG 4.36Å; W158-W162 AromaticContact CE3-NE1 3.14Å; W158-W162 AromaticContact CZ3-CD1 3.23Å; W158-W162 AromaticContact CZ3-CE2 3.92Å; W158-W162 HydrophobicContact CZ3-CG 4.11Å; W158-W162 AromaticContact CZ3-NE1 3.1Å; W162-R164 VanDerWaalsContact C-N 3.3Å; W162-S165 PolarHBondContact O-OG 3.4Å
163Q38.4Very low34Very low153 Ų153141.8 Ų141.872%0.71575%0.754SS**THydrogen-bonded Turntrans-82.1-7.2175.5-76.4177-32.300113.5W161W161-Q163 VanDerWaalsContact C-N 3.33Å; W161-Q163 PolarHBondContact O-N 3.17Å
164R35.8Very low33.7Very low222 Ų222138.8 Ų138.884%0.83875%0.75SS**THydrogen-bonded Turntrans-92.53.4-178.6-146.7157.584.9-157.99.5114.8W161 W162W161-R164 PolarHBondContact O-N 3.35Å; W162-R164 VanDerWaalsContact C-N 3.3Å
165S36Very low33.5Very low88 Ų88140.9 Ų140.962%0.61576%0.755SS**SBendtrans-116.73.9178.541.10000114.4W162W162-S165 PolarHBondContact O-OG 3.4Å
166L34.7Very low33.6Very low152 Ų152144.3 Ų144.380%0.79676%0.759SS**SBendtrans-123.853.9176.7-76.6169.1000112.4
167S32.3Very low33.3Very low101 Ų101145.9 Ų145.971%0.70676%0.761SS**  trans-141.159.7169.3-61.30000111.9
168L28.6Very low32.9Very low181 Ų181150.8 Ų150.895%0.94877%0.772SS**  trans-159.996156.2-106.8128.2000110.4
169A27.3Very low32.3Very low103 Ų103151.2 Ų151.285%0.85178%0.778SS**  trans159.892.5133.700000111.2
170R26.4Very low31.5Very low245 Ų245152 Ų15293%0.92578%0.783SS**  trans-143.1108.5145-169.5170.3-75.6177.2-3.1108.4
171A27.6Very low30.9Very low94 Ų94153.3 Ų153.378%0.77778%0.779SS**  trans-72.6132.2170.500000109.8
172N26Very low30.5Very low158 Ų158148.8 Ų148.885%0.84578%0.775SS**  -172.4138.6116.9-127.9-9.3000113.1
173S27.3Very low30.1Very low119 Ų119147.4 Ų147.483%0.83278%0.783SS**  trans64.1116.2146.5174.50000120.6
174G26.8Very low29.7Very low72 Ų72144.6 Ų144.674%0.74278%0.781SS**  trans143117.8144.800000115.2
175D29.4Very low29.5Very low159 Ų159140.9 Ų140.985%0.8578%0.777SS**  trans-42.7143.3174.4-69.7-49.8000116
176Q33.7Very low29.4Very low180 Ų180144 Ų14484%0.84179%0.787SS**  173100.6114.2-92172.615.300112.2
177D31.2Very low29.7Very low152 Ų152142.4 Ų142.481%0.81379%0.788SS**  29.1101.7124.5-14010000119.6
178Y30.4Very low29.9Very low225 Ų225144.8 Ų144.888%0.88279%0.793SS**  trans-154.8133.8131.740.3-94.1000111.8
179K27.6Very low29.8Very low181 Ų181144.9 Ų144.979%0.78779%0.786SS**  trans-101158.7-168.5172.5178.6177.3176.50110.6
180Y25Very low30.1Very low200 Ų200147.9 Ų147.978%0.78479%0.787SS**  trans110.4136.4149-149.5-91.1000115.3
181D28.3Very low30.6Very low105 Ų105142.6 Ų142.656%0.56178%0.777SS**  cis-177.6149.4-28.3-171.6-3.4000104.2
182S29.6Very low30.8Very low88 Ų88143.5 Ų143.562%0.61578%0.775SS**  trans68.7139.7152.4-73.70000118.5
183T28.9Very low31.2Very low118 Ų118142.3 Ų142.372%0.72478%0.776SS**  cis-172149.91624.90000109.5
184S30.3Very low31.5Very low94 Ų94148.4 Ų148.466%0.65778%0.781SS**  trans60.8125.8139.5690000123
185D32Very low31.5Very low143 Ų143148 Ų14877%0.76578%0.777SS**  trans88.196.9133.2-63.5-9000120.7
186D33.9Very low31.6Very low155 Ų155151.4 Ų151.483%0.82978%0.778SS**  13.9113.7122-72.4-30.7000117.9
187S42.2Very low31.4Very low117 Ų117150.4 Ų150.482%0.81878%0.779SS**  trans-150.1108.4139.339.90000111.3
188N35.1Very low31.6Very low152 Ų152150.7 Ų150.781%0.81378%0.775SS**  trans-57.3136.3158.1-67.7-66.5000109.8
189F27.9Very low31.6Very low182 Ų182146.6 Ų146.680%0.79877%0.774SS**  trans-165.3120.6138.7-137.2-105000111.9N191F189-N191 PolarHBondContact O-N 3.24Å; F189-N191 VanDerWaalsContact O-N 3.17Å
190L33.2Very low31.8Very low167 Ų167141.9 Ų141.987%0.87477%0.768SS**  trans-48.9115.1160.9-68.7161.7000109.5
191N36.4Very low32.5Very low133 Ų133138.7 Ų138.771%0.71177%0.772SS**  trans-143.6127.1159.5-92.2-34.6000110.1F189F189-N191 PolarHBondContact O-N 3.24Å; F189-N191 VanDerWaalsContact O-N 3.17Å
192P32.5Very low32.5Very low113 Ų113136.7 Ų136.773%0.73478%0.776SS**  trans-79.2136.7172.731.4-29.4000109.6R194P192-R194 PolarHBondContact O-N 3.12Å
193P34.2Very low32.4Very low133 Ų133141.3 Ų141.386%0.86479%0.788SS**  trans-76.8113.9178.228.9-29.5000109.9
194R32.5Very low32.5Very low247 Ų247146.8 Ų146.893%0.93280%0.795SS**  trans-103.6134.1161.5-164.9-170.9-72.2-101.15.3107.6P192P192-R194 PolarHBondContact O-N 3.12Å
195G28.1Very low32.4Very low65 Ų65148.9 Ų148.967%0.6780%0.804SS**  trans95.597.8160.500000115.4D197G195-D197 PolarHBondContact O-N 2.82Å
196W31.7Very low32.2Very low229 Ų229151.3 Ų151.387%0.86781%0.808SS**  trans-87.491159.4-73.37.8000108.4
197D29.6Very low32.1Very low159 Ų159152.9 Ų152.985%0.8581%0.811SS**  trans-101.798157.9-84.1-34.2000107.5G195G195-D197 PolarHBondContact O-N 2.82Å
198H34.7Very low31.6Very low158 Ų158153.4 Ų153.473%0.73181%0.809SS**  trans-97.6106.8170.7-71.4-53.4000109.6
199T29.5Very low31.5Very low140 Ų140155.9 Ų155.986%0.85981%0.812SS**  trans-85.5116.8154.2-37.50000107.7
200A33.1Very low31.8Very low82 Ų82156.4 Ų156.468%0.67882%0.817SS**  trans-71.1163.5172.500000110.9
201P38.8Very low31.7Very low133 Ų133157.1 Ų157.186%0.86482%0.816SS**  -150.6151.887.233.9-14.5000116.5
202G28.2Very low31.7Very low63 Ų63156.6 Ų156.665%0.64982%0.82SS**  trans138.9100.5139.600000118.2
203H28.7Very low31.9Very low184 Ų184160.4 Ų160.485%0.85283%0.828SS**  trans69.1105.2140.9-75.6-77.9000119.2
204R30.8Very low31.9Very low234 Ų234163.2 Ų163.288%0.88382%0.823SS**  -176.8139.878.1-94-179.6-179.1171.80.5111.3
205T27.8Very low32.3Very low137 Ų137157.3 Ų157.384%0.8481%0.81SS**  trans-63.7131.4178.722.20000113.2
206F28.5Very low32.8Very low194 Ų194157.3 Ų157.385%0.85180%0.8SS**  trans-134.8120.3148.1-154.1-97.9000107.8T208F206-T208 PolarHBondContact O-N 3.31Å
207E31.2Very low33.8Very low189 Ų189151.9 Ų151.988%0.88379%0.792SS**  trans-66.5118.1179.5-68.2173146.400109.3
208T31.8Very low34.7Very low128 Ų128149.8 Ų149.879%0.78578%0.78SS**  trans-118.3117.8167.4-42.20000108.6F206F206-T208 PolarHBondContact O-N 3.31Å
209K31.6Very low35.7Very low203 Ų203144.2 Ų144.288%0.88377%0.766SS**  trans-43.4133.2174-155.3171.7-176.3177.60111.8Q211K209-Q211 PolarHBondContact O-N 3.01Å
210E35.1Very low37Very low193 Ų193142.7 Ų142.790%0.90275%0.749SS**  trans-45.6127.1176.3-61.6173.4158.600112.5
211Q30.8Very low38.6Very low183 Ų183139.9 Ų139.986%0.85573%0.728SS**  trans-124.7143.8156-85.9-170.1-64.100108.9K209K209-Q211 PolarHBondContact O-N 3.01Å
212P36.9Very low40.5Very low121 Ų121141.2 Ų141.279%0.78673%0.728SS**  trans-70.6136.4-170.9-4.621.4000110.3Y214P212-Y214 PolarHBondContact O-N 3.27Å
213E35.6Very low43Very low194 Ų194141.8 Ų141.891%0.90771%0.711SS**  trans-53.6103.9165.9-157.7158-154.200108.9
214Y35.4Very low45.7Very low191 Ų191135.4 Ų135.475%0.74969%0.686SS**  trans-9099.1161.4110-83.6000106P212 S216P212-Y214 PolarHBondContact O-N 3.27Å; Y214-S216 WeakPolarHBondContact CD2-OG 3.49Å; Y214-S216 WeakPolarHBondContact CE2-OG 3.01Å; Y214-S216 PolarHBondContact O-N 3.03Å
215D39.7Very low48.4Very low124 Ų124132 Ų13266%0.66369%0.685SS**  trans-73101.3163.8-176.113.3000107.2T217D215-T217 PolarHBondContact OD1-N 3.3Å; D215-T217 PolarHBondContact OD1-OG1 2.91Å
216S39.4Very low51.3Low65 Ų65128.3 Ų128.346%0.45566%0.656SS.*  trans-109.769.1160.9-80.50000109.7Y214 D218Y214-S216 WeakPolarHBondContact CD2-OG 3.49Å; Y214-S216 WeakPolarHBondContact CE2-OG 3.01Å; Y214-S216 PolarHBondContact O-N 3.03Å; S216-D218 PolarHBondContact O-N 2.8Å; S216-D218 VanDerWaalsContact O-N 3.15Å
217T53.1Low54Low115 Ų115121.5 Ų121.571%0.70663%0.632SS**  trans-66.185.9135.9510000109.1D215D215-T217 PolarHBondContact OD1-N 3.3Å; D215-T217 PolarHBondContact OD1-OG1 2.91Å
218D48.9Very low56.5Low114 Ų114119 Ų11961%0.6163%0.629SS**  trans-113.597.7167.3-109.6-32000109.8S216S216-D218 PolarHBondContact O-N 2.8Å; S216-D218 VanDerWaalsContact O-N 3.15Å
219G55.3Low59.2Low41 Ų41114.3 Ų114.342%0.42360%0.602SS.*  9936.4125.900000120G221 G245G219-G221 PolarHBondContact O-N 3.44Å; G219-G245 PolarHBondContact O-N 2.94Å
220E56.2Low61.6Low109 Ų109108.6 Ų108.651%0.50959%0.587SS.*  trans-79.9100.2150.1-152.785.1-146.400106.7R242 C244E220-R242 IonicContact OE1-CZ 3.23Å; E220-R242 IonicContact OE1-NE 2.65Å; E220-R242 PolarHBondContact OE1-NE 3.27Å; E220-R242 IonicContact OE1-NH2 3.86Å; E220-R242 PolarHBondContact OE1-NH2 3.18Å; E220-C244 VanDerWaalsContact OE1-CB 3.31Å; E220-C244 WeakPolarHBondContact OE1-CB 3.25Å
221G66.1Low63.7Low23 Ų23101.8 Ų101.824%0.23756%0.558CS.*PPolyproline II helixtrans-63.7150.6177.600000111G219 R242 S243G219-G221 PolarHBondContact O-N 3.44Å; G221-R242 WeakPolarHBondContact O-CB 3.1Å; G221-S243 PolarHBondContact N-O 3.36Å
222D78.8Confident66Low160 Ų16099.1 Ų99.186%0.85656%0.555SS**PPolyproline II helixtrans-60.6149.6172.3-76.6-41.2000111.1
223W82.3Confident67.9Low76 Ų7695.4 Ų95.429%0.28853%0.531SS..PPolyproline II helixtrans-63.9136.4173.8-74104.6000111.5R240 T241 R242 A250 E252W223-R240 HydrophobicContact CD2-CG 4.32Å; W223-R240 HydrophobicContact CE3-CG 3.73Å; W223-R240 HydrophobicContact CZ3-CG 4.3Å; W223-T241 VanDerWaalsContact CE3-C 3.45Å; W223-R242 HydrophobicContact CD2-CB 3.83Å; W223-R242 HydrophobicContact CD2-CG 3.86Å; W223-R242 VanDerWaalsContact CE2-CD 3.47Å; W223-R242 HydrophobicContact CE3-CB 3.69Å; W223-R242 HydrophobicContact CE3-CG 3.79Å; W223-R242 HydrophobicContact CG-CB 4.25Å; W223-R242 HydrophobicContact CH2-CG 3.83Å; W223-R242 HydrophobicContact CZ2-CG 3.89Å; W223-R242 HydrophobicContact CZ3-CB 4.12Å; W223-R242 HydrophobicContact CZ3-CG 3.79Å; W223-A250 HydrophobicContact CH2-CB 3.96Å; W223-A250 VanDerWaalsContact CZ3-O 3.29Å; W223-A250 WeakPolarHBondContact CZ3-O 3.33Å; W223-E252 HydrophobicContact CE3-CB 4.35Å; W223-E252 HydrophobicContact CH2-CB 3.67Å; W223-E252 HydrophobicContact CZ2-CB 4.22Å; W223-E252 HydrophobicContact CZ3-CB 3.73Å
224S85Confident69.9Low49 Ų4986.7 Ų86.734%0.34349%0.493SS..PPolyproline II helixtrans-64.3163.716967.40000111.6R240 T241S224-R240 WeakPolarHBondContact O-CB 3.29Å; S224-T241 WeakPolarHBondContact CB-O 3.42Å; S224-T241 PolarHBondContact N-O 3.5Å; S224-T241 PolarHBondContact OG-N 3.16Å; S224-T241 PolarHBondContact OG-O 2.81Å; S224-T241 PolarHBondContact OG-OG1 2.04Å
225L86.9Confident72.1Confident164 Ų16483.3 Ų83.386%0.85949%0.488SS*.PPolyproline II helixtrans-63.5147.6173.6-67.1171000110.2S227L225-S227 PolarHBondContact O-N 3.41Å
226W87.6Confident74Confident59 Ų5977.4 Ų77.422%0.22346%0.457CS..PPolyproline II helixtrans-61.1135.2174.9-70.7101000111.3Q238 R240 E252 R254W226-Q238 HydrophobicContact CE3-CB 4.37Å; W226-Q238 VanDerWaalsContact CZ3-O 3.29Å; W226-Q238 WeakPolarHBondContact CZ3-O 3.19Å; W226-R240 HydrophobicContact CD2-CB 4.1Å; W226-R240 HydrophobicContact CD2-CG 3.96Å; W226-R240 VanDerWaalsContact CE2-CD 3.41Å; W226-R240 HydrophobicContact CE3-CB 3.95Å; W226-R240 HydrophobicContact CE3-CG 3.85Å; W226-R240 HydrophobicContact CH2-CG 3.8Å; W226-R240 HydrophobicContact CZ2-CG 3.9Å; W226-R240 VanDerWaalsContact CZ2-NE 3.3Å; W226-R240 HydrophobicContact CZ3-CB 4.28Å; W226-R240 HydrophobicContact CZ3-CG 3.76Å; W226-E252 HydrophobicContact CH2-CB 4.16Å; W226-E252 HydrophobicContact CH2-CG 3.85Å; W226-E252 WeakPolarHBondContact CZ3-O 3.46Å; W226-R254 VanDerWaalsContact CD1-NH2 3.28Å; W226-R254 HydrophobicContact CD2-CG 4.11Å; W226-R254 VanDerWaalsContact CE2-CD 3.47Å; W226-R254 HydrophobicContact CE3-CG 3.79Å; W226-R254 VanDerWaalsContact CG-NH2 3.3Å; W226-R254 HydrophobicContact CH2-CB 3.73Å; W226-R254 HydrophobicContact CH2-CG 3.69Å; W226-R254 HydrophobicContact CZ2-CB 4.26Å; W226-R254 HydrophobicContact CZ2-CG 4.02Å; W226-R254 HydrophobicContact CZ3-CB 3.97Å; W226-R254 HydrophobicContact CZ3-CG 3.58Å
227S85.7Confident76.2Confident51 Ų5176.4 Ų76.436%0.35745%0.446SS..PPolyproline II helixtrans-61.4159.4169.976.90000110.8L225 Q238 K239L225-S227 PolarHBondContact O-N 3.41Å; S227-Q238 WeakPolarHBondContact O-CB 3.11Å; S227-K239 WeakPolarHBondContact CB-O 3.44Å; S227-K239 PolarHBondContact N-O 3.09Å; S227-K239 PolarHBondContact OG-N 2.86Å; S227-K239 PolarHBondContact OG-O 3.43Å
228V85Confident77.6Confident136 Ų13672.4 Ų72.482%0.82442%0.42SS*.PPolyproline II helixtrans-57.6150165.9-74.50000110.8
229C87.4Confident79.5Confident30 Ų3071.8 Ų71.820%0.20341%0.412CS..PPolyproline II helixtrans-59.2138178.1-171.40000110.5V231 C256C229-V231 PolarHBondContact O-N 2.94Å; C229-V231 VanDerWaalsContact O-N 3.14Å; C229-V231 PolarHBondContact SG-O 3.13Å; C229-V231 VanDerWaalsContact SG-O 3.32Å; C229-C256 WeakPolarHBondContact CA-SG 3.39Å; C229-C256 HydrophobicContact CB-CB 3.8Å; C229-C256 WeakPolarHBondContact CB-SG 3.48Å; C229-C256 WeakPolarHBondContact SG-CB 3.33Å; C229-C256 CovalentContact SG-SG 2.01Å; C229-C256 PolarHBondContact SG-SG 3.34Å
230S83.1Confident81.1Confident83 Ų8372.6 Ų72.658%0.5840%0.402SS*.SBendtrans-63.5-18.4-178.863.70000114.1G236 N237S230-G236 WeakPolarHBondContact OG-CA 3.4Å; S230-N237 WeakPolarHBondContact CB-O 3.05Å; S230-N237 PolarHBondContact N-O 3.25Å; S230-N237 PolarHBondContact OG-N 2.73Å; S230-N237 PolarHBondContact OG-O 3.48Å
231V77.6Confident82.4Confident49 Ų4970.2 Ų70.230%0.29740%0.395SS..  trans-132.8155.7-179.4-52.60000110.6C229 C233C229-V231 PolarHBondContact O-N 2.94Å; C229-V231 VanDerWaalsContact O-N 3.14Å; C229-V231 PolarHBondContact SG-O 3.13Å; C229-V231 VanDerWaalsContact SG-O 3.32Å; V231-C233 VanDerWaalsContact CG2-O 3.23Å; V231-C233 WeakPolarHBondContact CG2-O 3.27Å
232T79.1Confident83.3Confident127 Ų12772.8 Ų72.878%0.77940%0.397SS*.SBendtrans-99.3-11.3176.952.40000113.3H258T232-H258 PolarHBondContact O-CD2 3.16Å; T232-H258 VanDerWaalsContact O-CD2 3.26Å
233C78.6Confident83.4Confident43 Ų4368.1 Ų68.129%0.29138%0.377SS..SBendtrans-146.3148.3173.663.90000110V231 P259 C261V231-C233 VanDerWaalsContact CG2-O 3.23Å; V231-C233 WeakPolarHBondContact CG2-O 3.27Å; C233-P259 CarbonylContact C-O 3.55Å; C233-P259 WeakPolarHBondContact CA-O 3.48Å; C233-P259 WeakPolarHBondContact CB-O 3.43Å; C233-C261 HydrophobicContact CB-CB 3.98Å; C233-C261 WeakPolarHBondContact CB-SG 3.39Å; C233-C261 PolarHBondContact O-SG 2.86Å; C233-C261 WeakPolarHBondContact SG-CB 3.23Å; C233-C261 CovalentContact SG-SG 2.04Å; C233-C261 PolarHBondContact SG-SG 3.13Å
234G77.5Confident83.2Confident11 Ų1166.5 Ų66.511%0.11338%0.377CS..SBendtrans75.1-164.4-175.200000114.5H258 P259G234-H258 PolarHBondContact N-O 3.39Å; G234-H258 WeakPolarHBondContact O-CB 3.39Å; G234-H258 PolarHBondContact O-N 2.99Å; G234-P259 PolarHBondContact N-O 3.09Å
235N79.9Confident82.7Confident120 Ų12065.6 Ų65.664%0.64238%0.376SS*.EExtended strand (participates in β ladder)trans-82.7121.6-179.1-53.779.9000110.6D257N235-D257 PolarHBondContact ND2-OD1 3.26Å
236G79.8Confident81.2Confident0 Ų068.1 Ų68.10%038%0.375CS..EExtended strand (participates in β ladder)trans-126.7-172.5173.500000113S230 T255 C256S230-G236 WeakPolarHBondContact OG-CA 3.4Å; G236-T255 CarbonylContact O-C 3.59Å; G236-T255 VanDerWaalsContact O-CA 3.31Å; G236-T255 WeakPolarHBondContact O-CA 3.41Å; G236-C256 PolarHBondContact N-O 2.95Å; G236-C256 PolarHBondContact O-N 3.42Å; G236-C256 PolarHBondContact O-SG 2.85Å; G236-C256 VanDerWaalsContact O-SG 3.35Å
237N85.4Confident79.8Confident44 Ų4470.2 Ų70.224%0.23541%0.405CS..EExtended strand (participates in β ladder)trans-132.3145.8-176.7-61.362.5000110.7S230 R254 C256S230-N237 WeakPolarHBondContact CB-O 3.05Å; S230-N237 PolarHBondContact N-O 3.25Å; S230-N237 PolarHBondContact OG-N 2.73Å; S230-N237 PolarHBondContact OG-O 3.48Å; N237-R254 WeakPolarHBondContact CA-O 3.21Å; N237-C256 PolarHBondContact N-SG 3.48Å; N237-C256 VanDerWaalsContact N-SG 3.37Å
238Q84.1Confident78.5Confident31 Ų3170.4 Ų70.415%0.14541%0.406CS..EExtended strand (participates in β ladder)trans-127.8145.7173.523.3172.1-20.600108.5W226 S227 S253 R254 C256W226-Q238 HydrophobicContact CE3-CB 4.37Å; W226-Q238 VanDerWaalsContact CZ3-O 3.29Å; W226-Q238 WeakPolarHBondContact CZ3-O 3.19Å; S227-Q238 WeakPolarHBondContact O-CB 3.11Å; Q238-S253 CarbonylContact O-C 3.45Å; Q238-S253 VanDerWaalsContact O-CA 3.32Å; Q238-S253 WeakPolarHBondContact O-CA 3.44Å; Q238-R254 HydrophobicContact CG-CG 3.68Å; Q238-R254 PolarHBondContact N-O 3.09Å; Q238-R254 PolarHBondContact O-N 3.36Å; Q238-R254 VanDerWaalsContact OE1-CZ 3.3Å; Q238-C256 HydrophobicContact CG-CB 4.04Å
239K88.4Confident78.1Confident101 Ų10168.4 Ų68.444%0.43940%0.395SS..EExtended strand (participates in β ladder)trans-124.9148.8-172.1-61-173.9177.9-177.10111.2S227 T251 E252S227-K239 WeakPolarHBondContact CB-O 3.44Å; S227-K239 PolarHBondContact N-O 3.09Å; S227-K239 PolarHBondContact OG-N 2.86Å; S227-K239 PolarHBondContact OG-O 3.43Å; K239-T251 HydrophobicContact CB-CG2 4.5Å; K239-E252 CarbonylContact C-O 3.58Å; K239-E252 VanDerWaalsContact CA-O 3.29Å; K239-E252 WeakPolarHBondContact CA-O 3.15Å
240R87.9Confident77.6Confident59 Ų5968.3 Ų68.322%0.22340%0.396CS..EExtended strand (participates in β ladder)trans-137.5161.1167.966.2177.3-175.6178.6-4.7110.5W223 S224 W226 T251 E252W223-R240 HydrophobicContact CD2-CG 4.32Å; W223-R240 HydrophobicContact CE3-CG 3.73Å; W223-R240 HydrophobicContact CZ3-CG 4.3Å; S224-R240 WeakPolarHBondContact O-CB 3.29Å; W226-R240 HydrophobicContact CD2-CB 4.1Å; W226-R240 HydrophobicContact CD2-CG 3.96Å; W226-R240 VanDerWaalsContact CE2-CD 3.41Å; W226-R240 HydrophobicContact CE3-CB 3.95Å; W226-R240 HydrophobicContact CE3-CG 3.85Å; W226-R240 HydrophobicContact CH2-CG 3.8Å; W226-R240 HydrophobicContact CZ2-CG 3.9Å; W226-R240 VanDerWaalsContact CZ2-NE 3.3Å; W226-R240 HydrophobicContact CZ3-CB 4.28Å; W226-R240 HydrophobicContact CZ3-CG 3.76Å; R240-T251 CarbonylContact O-C 3.58Å; R240-T251 WeakPolarHBondContact O-CA 3.22Å; R240-E252 HydrophobicContact CG-CB 4.01Å; R240-E252 IonicContact CZ-OE2 2.73Å; R240-E252 PolarHBondContact N-O 3.02Å; R240-E252 IonicContact NE-OE2 3.62Å; R240-E252 PolarHBondContact NE-OE2 3.36Å; R240-E252 IonicContact NH2-OE1 2.58Å; R240-E252 IonicContact NH2-OE2 3.09Å; R240-E252 PolarHBondContact NH2-OE2 3.1Å; R240-E252 PolarHBondContact O-N 3.14Å
241T83.3Confident77.6Confident59 Ų5967.2 Ų67.236%0.36239%0.386SS..EExtended strand (participates in β ladder)trans-133.9148.5-172.153.40000111.3W223 S224 T249 A250 T251W223-T241 VanDerWaalsContact CE3-C 3.45Å; S224-T241 WeakPolarHBondContact CB-O 3.42Å; S224-T241 PolarHBondContact N-O 3.5Å; S224-T241 PolarHBondContact OG-N 3.16Å; S224-T241 PolarHBondContact OG-O 2.81Å; S224-T241 PolarHBondContact OG-OG1 2.04Å; T241-T249 HydrophobicContact CG2-CG2 4.3Å; T241-A250 CarbonylContact C-O 3.48Å; T241-A250 VanDerWaalsContact CA-O 3.25Å; T241-A250 WeakPolarHBondContact CA-O 3.26Å; T241-T251 HydrophobicContact CG2-CG2 4.07Å
242R86.1Confident78Confident76 Ų7668.3 Ų68.329%0.28739%0.388SS..EExtended strand (participates in β ladder)trans-137.9152.5169.671.4171.2-172-167.27110.9E220 G221 W223 T249 A250E220-R242 IonicContact OE1-CZ 3.23Å; E220-R242 IonicContact OE1-NE 2.65Å; E220-R242 PolarHBondContact OE1-NE 3.27Å; E220-R242 IonicContact OE1-NH2 3.86Å; E220-R242 PolarHBondContact OE1-NH2 3.18Å; G221-R242 WeakPolarHBondContact O-CB 3.1Å; W223-R242 HydrophobicContact CD2-CB 3.83Å; W223-R242 HydrophobicContact CD2-CG 3.86Å; W223-R242 VanDerWaalsContact CE2-CD 3.47Å; W223-R242 HydrophobicContact CE3-CB 3.69Å; W223-R242 HydrophobicContact CE3-CG 3.79Å; W223-R242 HydrophobicContact CG-CB 4.25Å; W223-R242 HydrophobicContact CH2-CG 3.83Å; W223-R242 HydrophobicContact CZ2-CG 3.89Å; W223-R242 HydrophobicContact CZ3-CB 4.12Å; W223-R242 HydrophobicContact CZ3-CG 3.79Å; R242-T249 CarbonylContact O-C 3.52Å; R242-T249 VanDerWaalsContact O-CA 3.27Å; R242-T249 WeakPolarHBondContact O-CA 3.03Å; R242-A250 HydrophobicContact CG-CB 3.83Å; R242-A250 PolarHBondContact N-O 3Å; R242-A250 PolarHBondContact O-N 3.35Å
243S80.5Confident78.3Confident62 Ų6263.8 Ų63.843%0.43436%0.361SS..EExtended strand (participates in β ladder)trans-78.7134.4168.546.30000110.2G221 C248G221-S243 PolarHBondContact N-O 3.36Å; S243-C248 WeakPolarHBondContact CA-O 3.24Å
244C77.6Confident78.3Confident42 Ų4266.8 Ų66.828%0.28437%0.366SS..  trans-111.226.6176.552.30000113.1E220 C248E220-C244 VanDerWaalsContact OE1-CB 3.31Å; E220-C244 WeakPolarHBondContact OE1-CB 3.25Å; C244-C248 WeakPolarHBondContact CA-SG 3.46Å; C244-C248 WeakPolarHBondContact CB-SG 3.22Å; C244-C248 PolarHBondContact N-O 3.46Å; C244-C248 PolarHBondContact O-SG 3.36Å; C244-C248 WeakPolarHBondContact SG-CB 3.19Å; C244-C248 PolarHBondContact SG-O 2.91Å; C244-C248 VanDerWaalsContact SG-O 3.38Å; C244-C248 CovalentContact SG-SG 2.03Å; C244-C248 PolarHBondContact SG-SG 2.7Å
245G74.3Confident78.4Confident31 Ų3169 Ų6932%0.3238%0.378SS..SBendtrans120.2-163.5179.600000113.7G219 A247G219-G245 PolarHBondContact O-N 2.94Å; G245-A247 PolarHBondContact O-N 3.41Å
246Y56.5Low78.5Confident216 Ų21663.8 Ų63.885%0.84735%0.351SS*.THydrogen-bonded Turntrans-59.5-7.4-164.9-74.6-81.4000117.2
247A58.4Low78.4Confident103 Ų10369.5 Ų69.585%0.85138%0.381SS*.THydrogen-bonded Turntrans-161.523.8177.100000115G245G245-A247 PolarHBondContact O-N 3.41Å
248C57Low78.1Confident55 Ų5571 Ų7137%0.37239%0.387SS..  trans-135.9143.1-177.672.10000113.7S243 C244S243-C248 WeakPolarHBondContact CA-O 3.24Å; C244-C248 WeakPolarHBondContact CA-SG 3.46Å; C244-C248 WeakPolarHBondContact CB-SG 3.22Å; C244-C248 PolarHBondContact N-O 3.46Å; C244-C248 PolarHBondContact O-SG 3.36Å; C244-C248 WeakPolarHBondContact SG-CB 3.19Å; C244-C248 PolarHBondContact SG-O 2.91Å; C244-C248 VanDerWaalsContact SG-O 3.38Å; C244-C248 CovalentContact SG-SG 2.03Å; C244-C248 PolarHBondContact SG-SG 2.7Å
249T78.2Confident77.7Confident95 Ų9574.4 Ų74.458%0.58341%0.411SS*.EExtended strand (participates in β ladder)trans-123113.9176.4-56.40000108.9T241 R242T241-T249 HydrophobicContact CG2-CG2 4.3Å; R242-T249 CarbonylContact O-C 3.52Å; R242-T249 VanDerWaalsContact O-CA 3.27Å; R242-T249 WeakPolarHBondContact O-CA 3.03Å
250A75.3Confident76.9Confident28 Ų2876 Ų7623%0.23143%0.425CS..EExtended strand (participates in β ladder)trans-82.6138.117200000109.7W223 T241 R242W223-A250 HydrophobicContact CH2-CB 3.96Å; W223-A250 VanDerWaalsContact CZ3-O 3.29Å; W223-A250 WeakPolarHBondContact CZ3-O 3.33Å; T241-A250 CarbonylContact C-O 3.48Å; T241-A250 VanDerWaalsContact CA-O 3.25Å; T241-A250 WeakPolarHBondContact CA-O 3.26Å; R242-A250 HydrophobicContact CG-CB 3.83Å; R242-A250 PolarHBondContact N-O 3Å; R242-A250 PolarHBondContact O-N 3.35Å
251T85.2Confident75.9Confident59 Ų5975.1 Ų75.136%0.36243%0.427SS..EExtended strand (participates in β ladder)trans-121.6131179-56.10000109.9K239 R240 T241K239-T251 HydrophobicContact CB-CG2 4.5Å; R240-T251 CarbonylContact O-C 3.58Å; R240-T251 WeakPolarHBondContact O-CA 3.22Å; T241-T251 HydrophobicContact CG2-CG2 4.07Å
252E84.8Confident75.4Confident73 Ų7378.7 Ų78.734%0.34145%0.451SS..EExtended strand (participates in β ladder)trans-114.5139.5175.6-166.3-174.9172.300109.5W223 W226 K239 R240W223-E252 HydrophobicContact CE3-CB 4.35Å; W223-E252 HydrophobicContact CH2-CB 3.67Å; W223-E252 HydrophobicContact CZ2-CB 4.22Å; W223-E252 HydrophobicContact CZ3-CB 3.73Å; W226-E252 HydrophobicContact CH2-CB 4.16Å; W226-E252 HydrophobicContact CH2-CG 3.85Å; W226-E252 WeakPolarHBondContact CZ3-O 3.46Å; K239-E252 CarbonylContact C-O 3.58Å; K239-E252 VanDerWaalsContact CA-O 3.29Å; K239-E252 WeakPolarHBondContact CA-O 3.15Å; R240-E252 HydrophobicContact CG-CB 4.01Å; R240-E252 IonicContact CZ-OE2 2.73Å; R240-E252 PolarHBondContact N-O 3.02Å; R240-E252 IonicContact NE-OE2 3.62Å; R240-E252 PolarHBondContact NE-OE2 3.36Å; R240-E252 IonicContact NH2-OE1 2.58Å; R240-E252 IonicContact NH2-OE2 3.09Å; R240-E252 PolarHBondContact NH2-OE2 3.1Å; R240-E252 PolarHBondContact O-N 3.14Å
253S84.8Confident74.2Confident32 Ų3278.9 Ų78.922%0.22448%0.477CS..EExtended strand (participates in β ladder)trans-125.8138.617561.60000111.6N124 Q238N124-S253 PolarHBondContact O-OG 2.9Å; Q238-S253 CarbonylContact O-C 3.45Å; Q238-S253 VanDerWaalsContact O-CA 3.32Å; Q238-S253 WeakPolarHBondContact O-CA 3.44Å
254R78.3Confident73Confident105 Ų10580.5 Ų80.540%0.39648%0.48SS..EExtended strand (participates in β ladder)trans-125.2152.4173.872.4-177.6175.6171.94110.7W226 N237 Q238W226-R254 VanDerWaalsContact CD1-NH2 3.28Å; W226-R254 HydrophobicContact CD2-CG 4.11Å; W226-R254 VanDerWaalsContact CE2-CD 3.47Å; W226-R254 HydrophobicContact CE3-CG 3.79Å; W226-R254 VanDerWaalsContact CG-NH2 3.3Å; W226-R254 HydrophobicContact CH2-CB 3.73Å; W226-R254 HydrophobicContact CH2-CG 3.69Å; W226-R254 HydrophobicContact CZ2-CB 4.26Å; W226-R254 HydrophobicContact CZ2-CG 4.02Å; W226-R254 HydrophobicContact CZ3-CB 3.97Å; W226-R254 HydrophobicContact CZ3-CG 3.58Å; N237-R254 WeakPolarHBondContact CA-O 3.21Å; Q238-R254 HydrophobicContact CG-CG 3.68Å; Q238-R254 PolarHBondContact N-O 3.09Å; Q238-R254 PolarHBondContact O-N 3.36Å; Q238-R254 VanDerWaalsContact OE1-CZ 3.3Å
255T81.2Confident72Confident59 Ų5985.2 Ų85.236%0.36250%0.497SS..EExtended strand (participates in β ladder)trans-71.4149.6169.4340000111.7P123 G236P123-T255 HydrophobicContact CB-CG2 3.73Å; P123-T255 HydrophobicContact CG-CG2 3.3Å; G236-T255 CarbonylContact O-C 3.59Å; G236-T255 VanDerWaalsContact O-CA 3.31Å; G236-T255 WeakPolarHBondContact O-CA 3.41Å
256C82Confident71.1Confident10 Ų1089.9 Ų89.97%0.06852%0.515CS..EExtended strand (participates in β ladder)trans-124.2126.5165.832.40000107.8C229 G236 N237 Q238C229-C256 WeakPolarHBondContact CA-SG 3.39Å; C229-C256 HydrophobicContact CB-CB 3.8Å; C229-C256 WeakPolarHBondContact CB-SG 3.48Å; C229-C256 WeakPolarHBondContact SG-CB 3.33Å; C229-C256 CovalentContact SG-SG 2.01Å; C229-C256 PolarHBondContact SG-SG 3.34Å; G236-C256 PolarHBondContact N-O 2.95Å; G236-C256 PolarHBondContact O-N 3.42Å; G236-C256 PolarHBondContact O-SG 2.85Å; G236-C256 VanDerWaalsContact O-SG 3.35Å; N237-C256 PolarHBondContact N-SG 3.48Å; N237-C256 VanDerWaalsContact N-SG 3.37Å; Q238-C256 HydrophobicContact CG-CB 4.04Å
257D78.1Confident70.9Confident120 Ų12084.4 Ų84.464%0.64250%0.504SS*.EExtended strand (participates in β ladder)trans-97.4118.8176.9-58.2-44.9000109.4N235N235-D257 PolarHBondContact ND2-OD1 3.26Å
258H77.3Confident70.3Confident76 Ų7687.5 Ų87.535%0.35250%0.499SS..  trans-107.8159.9169.3-85.777.1000110.2T232 G234T232-H258 PolarHBondContact O-CD2 3.16Å; T232-H258 VanDerWaalsContact O-CD2 3.26Å; G234-H258 PolarHBondContact N-O 3.39Å; G234-H258 WeakPolarHBondContact O-CB 3.39Å; G234-H258 PolarHBondContact O-N 2.99Å
259P76.9Confident69.9Low101 Ų10192.4 Ų92.466%0.65651%0.509SS*.PPolyproline II helixtrans-53.2143.2175.221.1-33.6000111.8C233 G234 C261C233-P259 CarbonylContact C-O 3.55Å; C233-P259 WeakPolarHBondContact CA-O 3.48Å; C233-P259 WeakPolarHBondContact CB-O 3.43Å; G234-P259 PolarHBondContact N-O 3.09Å; P259-C261 PolarHBondContact O-N 3.24Å
260N70.6Confident68.5Low135 Ų13592.2 Ų92.272%0.72251%0.508SS*.PPolyproline II helixtrans-51.9134.6-177.8-73.76.5000111.5
261C68.2Low66.9Low41 Ų4194.2 Ų94.228%0.27753%0.525SS..PPolyproline II helixtrans-64.9128.3175.4-58.90000109.8C233 P259 G263 I264C233-C261 HydrophobicContact CB-CB 3.98Å; C233-C261 WeakPolarHBondContact CB-SG 3.39Å; C233-C261 PolarHBondContact O-SG 2.86Å; C233-C261 WeakPolarHBondContact SG-CB 3.23Å; C233-C261 CovalentContact SG-SG 2.04Å; C233-C261 PolarHBondContact SG-SG 3.13Å; P259-C261 PolarHBondContact O-N 3.24Å; C261-G263 PolarHBondContact O-N 2.99Å; C261-I264 HydrophobicContact CB-CD1 4.4Å; C261-I264 WeakPolarHBondContact O-CG1 3.48Å
262P71.4Confident64.9Low134 Ų13494.5 Ų94.587%0.8753%0.533SS*.THydrogen-bonded Turntrans-66.3122.4173.924.6-30.3000109.9
263G61.6Low63.1Low79 Ų7994.7 Ų94.781%0.81454%0.539SS*.THydrogen-bonded Turntrans128.24172.800000117.9C261C261-G263 PolarHBondContact O-N 2.99Å
264I55.1Low61.1Low97 Ų9799.8 Ų99.850%0.49756%0.559SS.*  trans-104.32.3-177.721.7164.5000114.5C261 D266C261-I264 HydrophobicContact CB-CD1 4.4Å; C261-I264 WeakPolarHBondContact O-CG1 3.48Å; I264-D266 PolarHBondContact O-N 3.39Å
265E56.7Low59.6Low140 Ų140100.2 Ų100.265%0.65457%0.574SS**Hα-helixtrans-80.9-13.7-171.5-148.4165.1169.500114.1R269E265-R269 IonicContact OE1-NH2 2.98Å
266D55.7Low57.6Low130 Ų130101.3 Ų101.370%0.69558%0.584SS**Hα-helixtrans-94.2-18.9-175.7-73.1-26.5000114.7I264 T270I264-D266 PolarHBondContact O-N 3.39Å; D266-T270 PolarHBondContact O-OG1 3.45Å
267T53Low55.6Low101 Ų101107.3 Ų107.362%0.6261%0.614SS**Hα-helixtrans-87.4-32.9-179.246.60000113
268F44.5Very low54Low167 Ų167109.2 Ų109.273%0.73262%0.624SS**Hα-helixtrans-79.8-29.2176.3-80.1-86.6000113.2
269R48.7Very low52.5Low159 Ų159110 Ų11060%0.664%0.643SS**Hα-helixtrans-71.5-39.5177.6-159174.9-73.9-1105111.3E265 A271 A272 T273E265-R269 IonicContact OE1-NH2 2.98Å; R269-A271 VanDerWaalsContact C-N 3.34Å; R269-A271 PolarHBondContact O-N 3.2Å; R269-A272 PolarHBondContact O-N 3.17Å; R269-A272 VanDerWaalsContact O-N 3.14Å; R269-T273 PolarHBondContact O-N 3.49Å; R269-T273 PolarHBondContact O-OG1 3.31Å
270T49Very low50.7Low90 Ų90108.6 Ų108.655%0.55265%0.648SS**Hα-helixtrans-64-33.6179.3-54.10000113.4D266 A272D266-T270 PolarHBondContact O-OG1 3.45Å; T270-A272 VanDerWaalsContact C-N 3.32Å; T270-A272 PolarHBondContact O-N 3.27Å
271A41.6Very low49.2Very low70 Ų70107 Ų10758%0.57965%0.647SS**Hα-helixtrans-71.5-25.217600000113.4R269R269-A271 VanDerWaalsContact C-N 3.34Å; R269-A271 PolarHBondContact O-N 3.2Å
272A42.6Very low48.2Very low65 Ų65114.8 Ų114.854%0.53768%0.679SS.*Hα-helixtrans-84.2-26177.900000112.8R269 T270R269-A272 PolarHBondContact O-N 3.17Å; R269-A272 VanDerWaalsContact O-N 3.14Å; T270-A272 VanDerWaalsContact C-N 3.32Å; T270-A272 PolarHBondContact O-N 3.27Å
273T48.4Very low47.1Very low77 Ų77117.4 Ų117.447%0.47268%0.68SS.*Hα-helixtrans-82-26.4-178.2-11.10000114.1R269 V275 S276R269-T273 PolarHBondContact O-N 3.49Å; R269-T273 PolarHBondContact O-OG1 3.31Å; T273-V275 PolarHBondContact O-N 3.04Å; T273-S276 PolarHBondContact O-N 3.33Å
274E42.9Very low46.1Very low139 Ų139121 Ų12165%0.6567%0.673SS**THydrogen-bonded Turntrans-67.6-22.6177.1-79.2-85.3137.400113S276E274-S276 VanDerWaalsContact C-N 3.32Å
275V45.6Very low45.1Very low115 Ų115122.6 Ų122.670%0.69768%0.683SS**THydrogen-bonded Turntrans-79.3-17.7173.3-178.70000111.9T273T273-V275 PolarHBondContact O-N 3.04Å
276S40.8Very low44.3Very low82 Ų82119.7 Ų119.757%0.57368%0.683SS**THydrogen-bonded Turntrans-91.4-15.3-178.5-61.10000114T273 E274T273-S276 PolarHBondContact O-N 3.33Å; E274-S276 VanDerWaalsContact C-N 3.32Å
277L38.9Very low43.7Very low135 Ų135119.5 Ų119.571%0.70769%0.687SS**THydrogen-bonded Turntrans-85.4-8.5-179.3-77168.6000114.6
278L45.5Very low43.2Very low160 Ų160120.5 Ų120.584%0.83868%0.682SS**THydrogen-bonded Turntrans-87.7-4172-67.3174.5000113.6
279A43.9Very low43Very low93 Ų93119.1 Ų119.177%0.76968%0.682SS**SBendtrans-103.222.1-17700000113.6
280G39.9Very low42.6Very low72 Ų72119.6 Ų119.674%0.74269%0.688SS**  trans-116.718.8-169.100000116.7
281S38.4Very low42.2Very low102 Ų102121.9 Ų121.971%0.71369%0.693SS**SBendtrans-123116.3169.364.60000110.8E283S281-E283 VanDerWaalsContact C-N 3.34Å; S281-E283 PolarHBondContact O-N 3.28Å
282E48.8Very low42.6Very low203 Ų203124 Ų12495%0.94970%0.698SS**SBendtrans-61.983.5179.2-61.1-170.5156.300112.1
283E48.5Very low42.9Very low190 Ų190128.1 Ų128.189%0.88871%0.712SS**  trans-161.720.1153.2-127.2176.9-167.200113.4S281S281-E283 VanDerWaalsContact C-N 3.34Å; S281-E283 PolarHBondContact O-N 3.28Å
284F39.7Very low43.3Very low154 Ų154129.8 Ų129.868%0.67572%0.722SS**  trans-104.4102.7179.3-140.5-96.3000110.5A286 K288F284-A286 PolarHBondContact O-N 3.07Å; F284-K288 HydrophobicContact CE1-CB 4.31Å; F284-K288 HydrophobicContact CE1-CD 4.24Å; F284-K288 HydrophobicContact CZ-CD 4.34Å
285N33.8Very low44.9Very low131 Ų131125.2 Ų125.270%0.70170%0.702SS**  trans-51.8110.3174.4-85.3-42.8000110.7T287 K288N285-T287 PolarHBondContact O-N 3.26Å; N285-K288 WeakPolarHBondContact O-CB 3.48Å; N285-K288 PolarHBondContact O-N 2.84Å
286A39.8Very low46.7Very low79 Ų79123.6 Ų123.665%0.65370%0.696SS**G310 helixtrans-66.41.2-178.800000114.4F284 K288F284-A286 PolarHBondContact O-N 3.07Å; A286-K288 PolarHBondContact O-N 3.4Å
287T43Very low48.8Very low126 Ų126119.7 Ų119.777%0.77367%0.668SS**G310 helixtrans-72.7-10.6165.32.70000113.1N285N285-T287 PolarHBondContact O-N 3.26Å
288K42.3Very low51Low121 Ų121118.7 Ų118.753%0.52666%0.66SS.*G310 helixtrans-94.8-7.7177.1-150.8172.7-174.3177.10114.2F284 N285 A286F284-K288 HydrophobicContact CE1-CB 4.31Å; F284-K288 HydrophobicContact CE1-CD 4.24Å; F284-K288 HydrophobicContact CZ-CD 4.34Å; N285-K288 WeakPolarHBondContact O-CB 3.48Å; N285-K288 PolarHBondContact O-N 2.84Å; A286-K288 PolarHBondContact O-N 3.4Å
289L41.5Very low53Low138 Ų138120.3 Ų120.372%0.72366%0.655SS**THydrogen-bonded Turntrans-87.9-8.1-179.6-145.987.3000113.3
290F39.2Very low55Low169 Ų169118.4 Ų118.474%0.74163%0.628SS**THydrogen-bonded Turntrans-121.346.3167.8-61.7-78.7000110.1V292F290-V292 HydrophobicContact CB-CG2 4.39Å; F290-V292 PolarHBondContact O-N 3.06Å
291E41.3Very low57.2Low138 Ų138117.4 Ų117.465%0.64561%0.605SS**  trans-64.478.5147.2-81.2179.6-178.800107.1
292V50.6Low59.3Low114 Ų114115.9 Ų115.969%0.69159%0.594SS**  trans-54.3129.9160.1177.20000106.2F290F290-V292 HydrophobicContact CB-CG2 4.39Å; F290-V292 PolarHBondContact O-N 3.06Å
293D48.3Very low60.9Low153 Ų153109.5 Ų109.582%0.81857%0.571SS**  trans92.547.7-176-58.6-22.1000117.8D295D293-D295 PolarHBondContact O-N 3.5Å
294T57.5Low62.4Low111 Ų111109.8 Ų109.868%0.68157%0.569SS**  trans-75.3109.6143.821.10000108.1S296T294-S296 PolarHBondContact O-N 3.33Å
295D76.6Confident64.6Low43 Ų43104.7 Ų104.723%0.2355%0.553CS.*  trans-58.9127.1-179.2172.525.8000110.9D293 C297 E298 R299 R432D293-D295 PolarHBondContact O-N 3.5Å; D295-C297 PolarHBondContact O-N 2.85Å; D295-C297 VanDerWaalsContact O-N 3.13Å; D295-C297 PolarHBondContact OD1-N 3.16Å; D295-C297 WeakPolarHBondContact OD2-CB 3.39Å; D295-E298 HydrophobicContact CB-CB 4.26Å; D295-E298 WeakPolarHBondContact O-CB 3.22Å; D295-E298 PolarHBondContact O-N 2.88Å; D295-R299 PolarHBondContact O-N 2.82Å; D295-R299 VanDerWaalsContact O-N 3.09Å; D295-R432 IonicContact OD2-CZ 2.71Å; D295-R432 IonicContact OD2-NH1 3.88Å; D295-R432 PolarHBondContact OD2-NH1 2.77Å; D295-R432 IonicContact OD2-NH2 3.76Å; D295-R432 PolarHBondContact OD2-NH2 2.69Å
296S82.2Confident66.9Low82 Ų82104 Ų10457%0.57355%0.545SS*.Hα-helixtrans-58-30-177.6-66.60000111.9T294 W300 I425T294-S296 PolarHBondContact O-N 3.33Å; S296-W300 PolarHBondContact O-N 2.9Å; S296-W300 VanDerWaalsContact O-N 3.09Å; S296-I425 WeakPolarHBondContact O-CG2 3.49Å
297C85.1Confident69.2Low0 Ų0107.5 Ų107.50%055%0.546CS..Hα-helixtrans-68.3-41.4173.8177.20000112.1D295 R299 W300 M301 I425 C426D295-C297 PolarHBondContact O-N 2.85Å; D295-C297 VanDerWaalsContact O-N 3.13Å; D295-C297 PolarHBondContact OD1-N 3.16Å; D295-C297 WeakPolarHBondContact OD2-CB 3.39Å; C297-R299 VanDerWaalsContact C-N 3.3Å; C297-R299 PolarHBondContact O-N 3.33Å; C297-W300 PolarHBondContact O-N 2.69Å; C297-W300 VanDerWaalsContact O-N 3.13Å; C297-M301 VanDerWaalsContact O-CG 3.29Å; C297-M301 WeakPolarHBondContact O-CG 3.27Å; C297-M301 PolarHBondContact O-N 3.33Å; C297-I425 HydrophobicContact CB-CG2 4.21Å; C297-C426 HydrophobicContact CB-CB 3.81Å; C297-C426 WeakPolarHBondContact CB-SG 3.29Å; C297-C426 VanDerWaalsContact SG-CA 3.55Å; C297-C426 WeakPolarHBondContact SG-CB 3.29Å; C297-C426 CovalentContact SG-SG 2.04Å; C297-C426 PolarHBondContact SG-SG 2.88Å
298E85.9Confident71.1Confident114 Ų114103.6 Ų103.653%0.53352%0.52SS..Hα-helixtrans-64.5-38.8177.6-167.2172.7-175.700111.1D295 W300 M301 S302D295-E298 HydrophobicContact CB-CB 4.26Å; D295-E298 WeakPolarHBondContact O-CB 3.22Å; D295-E298 PolarHBondContact O-N 2.88Å; E298-W300 VanDerWaalsContact C-N 3.33Å; E298-W300 PolarHBondContact O-N 3.33Å; E298-M301 PolarHBondContact O-N 3.47Å; E298-S302 VanDerWaalsContact O-CB 3.26Å; E298-S302 WeakPolarHBondContact O-CB 3.46Å; E298-S302 PolarHBondContact O-N 3.25Å; E298-S302 PolarHBondContact O-OG 2.05Å
299R86.1Confident73Confident194 Ų194104.6 Ų104.673%0.73253%0.525SS*.Hα-helixtrans-63.1-38.4173.4-167.6177.2-177.7129.9-0.1112.5D295 C297 S302D295-R299 PolarHBondContact O-N 2.82Å; D295-R299 VanDerWaalsContact O-N 3.09Å; C297-R299 VanDerWaalsContact C-N 3.3Å; C297-R299 PolarHBondContact O-N 3.33Å; R299-S302 WeakPolarHBondContact CA-OG 3.2Å; R299-S302 PolarHBondContact O-OG 3.13Å
300W86.9Confident75.2Confident53 Ų53105.5 Ų105.520%0.20152%0.523CS..Hα-helixtrans-68.2-47.5174.7168.577.6000112S296 C297 E298 S302 C303 P422 Y433 A436 R437S296-W300 PolarHBondContact O-N 2.9Å; S296-W300 VanDerWaalsContact O-N 3.09Å; C297-W300 PolarHBondContact O-N 2.69Å; C297-W300 VanDerWaalsContact O-N 3.13Å; E298-W300 VanDerWaalsContact C-N 3.33Å; E298-W300 PolarHBondContact O-N 3.33Å; W300-S302 VanDerWaalsContact C-N 3.26Å; W300-S302 PolarHBondContact O-N 3.13Å; W300-C303 WeakPolarHBondContact O-CB 3.46Å; W300-C303 PolarHBondContact O-N 2.86Å; W300-C303 VanDerWaalsContact O-N 3.13Å; W300-P422 HydrophobicContact CD2-CB 3.71Å; W300-P422 HydrophobicContact CE3-CB 4.2Å; W300-P422 HydrophobicContact CG-CB 4.21Å; W300-P422 HydrophobicContact CH2-CB 3.94Å; W300-P422 HydrophobicContact CZ2-CB 3.42Å; W300-P422 VanDerWaalsContact CZ2-CB 3.42Å; W300-P422 HydrophobicContact CZ2-CG 4.05Å; W300-P422 HydrophobicContact CZ3-CB 4.31Å; W300-Y433 AromaticContact CH2-CD2 3.71Å; W300-Y433 HydrophobicContact CH2-CD2 3.71Å; W300-Y433 HydrophobicContact CH2-CE2 4.12Å; W300-Y433 HydrophobicContact CH2-CG 4.44Å; W300-Y433 HydrophobicContact CZ2-CD2 4.48Å; W300-Y433 HydrophobicContact CZ3-CD2 4.18Å; W300-A436 HydrophobicContact CH2-CB 3.44Å; W300-A436 VanDerWaalsContact CH2-CB 3.44Å; W300-A436 HydrophobicContact CZ2-CB 4.15Å; W300-A436 HydrophobicContact CZ3-CB 3.63Å; W300-R437 HydrophobicContact CH2-CG 4.12Å; W300-R437 HydrophobicContact CZ2-CG 4.21Å
301M86.6Confident77.4Confident51 Ų5199.5 Ų99.525%0.25150%0.495SS..Hα-helixtrans-61.2-36.1178.7-68.6175.974.200112.2C297 E298 C303 R432 E435 A436C297-M301 VanDerWaalsContact O-CG 3.29Å; C297-M301 WeakPolarHBondContact O-CG 3.27Å; C297-M301 PolarHBondContact O-N 3.33Å; E298-M301 PolarHBondContact O-N 3.47Å; M301-C303 PolarHBondContact O-N 3.34Å; M301-R432 HydrophobicContact CE-CB 4.06Å; M301-R432 HydrophobicContact CE-CG 4.39Å; M301-R432 WeakPolarHBondContact CE-O 3.37Å; M301-R432 HydrophobicContact SD-CB 3.66Å; M301-R432 HydrophobicContact SD-CG 4.14Å; M301-E435 HydrophobicContact CE-CB 4.04Å; M301-E435 HydrophobicContact CE-CG 4.26Å; M301-E435 WeakPolarHBondContact CE-OE2 3.27Å; M301-A436 HydrophobicContact CG-CB 4.41Å
302S82.1Confident79.6Confident69 Ų6995.4 Ų95.448%0.48348%0.477SS..THydrogen-bonded Turntrans-82.510.3179.360.90000114.2E298 R299 W300 K304E298-S302 VanDerWaalsContact O-CB 3.26Å; E298-S302 WeakPolarHBondContact O-CB 3.46Å; E298-S302 PolarHBondContact O-N 3.25Å; E298-S302 PolarHBondContact O-OG 2.05Å; R299-S302 WeakPolarHBondContact CA-OG 3.2Å; R299-S302 PolarHBondContact O-OG 3.13Å; W300-S302 VanDerWaalsContact C-N 3.26Å; W300-S302 PolarHBondContact O-N 3.13Å; S302-K304 WeakPolarHBondContact O-CG 3.46Å; S302-K304 PolarHBondContact O-N 3.24Å; S302-K304 VanDerWaalsContact O-N 3.13Å
303C82Confident81.4Confident70 Ų7095.4 Ų95.447%0.47347%0.469SS..  trans-63.8111.9178.4-173.40000112.1W300 M301 S305W300-C303 WeakPolarHBondContact O-CB 3.46Å; W300-C303 PolarHBondContact O-N 2.86Å; W300-C303 VanDerWaalsContact O-N 3.13Å; M301-C303 PolarHBondContact O-N 3.34Å; C303-S305 PolarHBondContact O-N 2.84Å
304K80Confident83.3Confident195 Ų19592.4 Ų92.485%0.84845%0.449SS*.  trans-99.645.4-178.5-65178.8-174.9175.50113.5S302 E306S302-K304 WeakPolarHBondContact O-CG 3.46Å; S302-K304 PolarHBondContact O-N 3.24Å; S302-K304 VanDerWaalsContact O-N 3.13Å; K304-E306 PolarHBondContact O-N 2.04Å
305S85.2Confident84.9Confident48 Ų4887.3 Ų87.334%0.33642%0.418SS..  trans-77.3118.2177.3172.10000111.3C303 F307 L308 K309C303-S305 PolarHBondContact O-N 2.84Å; S305-F307 VanDerWaalsContact C-N 3.26Å; S305-F307 PolarHBondContact O-N 3.44Å; S305-L308 PolarHBondContact O-N 3.45Å; S305-L308 VanDerWaalsContact O-N 3.17Å; S305-L308 PolarHBondContact OG-N 3.2Å; S305-K309 WeakPolarHBondContact O-CB 3.5Å; S305-K309 PolarHBondContact O-N 3.18Å
306E83.5Confident85.5Confident116 Ų11691 Ų9154%0.54244%0.435SS..Hα-helixtrans-62.7-33.7175.9-71.6-58.2128.400112.4K304 K310K304-E306 PolarHBondContact O-N 2.04Å; E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.44Å; E306-K310 VanDerWaalsContact O-N 3.07Å
307F87.1Confident85.8Confident153 Ų15390.9 Ų90.967%0.67143%0.428SS*.Hα-helixtrans-62.4-50.3172170-95.7000110.8S305 K309 K310 Y311S305-F307 VanDerWaalsContact C-N 3.26Å; S305-F307 PolarHBondContact O-N 3.44Å; F307-K309 VanDerWaalsContact C-N 3.31Å; F307-K309 PolarHBondContact O-N 3.05Å; F307-K310 PolarHBondContact O-N 3.22Å; F307-Y311 WeakPolarHBondContact O-CB 3.15Å; F307-Y311 PolarHBondContact O-N 3.31Å
308L83.1Confident86Confident44 Ų4492.9 Ų92.923%0.2344%0.438CS..Hα-helixtrans-62.1-41.7-178.8-177.162.3000111.1S305 Y311 M312 L405S305-L308 PolarHBondContact O-N 3.45Å; S305-L308 VanDerWaalsContact O-N 3.17Å; S305-L308 PolarHBondContact OG-N 3.2Å; L308-Y311 PolarHBondContact O-N 3.44Å; L308-M312 HydrophobicContact CD1-CG 4.28Å; L308-M312 HydrophobicContact CD1-SD 4.44Å; L308-M312 HydrophobicContact CG-CG 4.35Å; L308-M312 HydrophobicContact CG-SD 4.07Å; L308-M312 WeakPolarHBondContact O-CB 3.37Å; L308-M312 VanDerWaalsContact O-CG 3.28Å; L308-M312 WeakPolarHBondContact O-CG 3.13Å; L308-M312 PolarHBondContact O-N 2.71Å; L308-L405 HydrophobicContact CD1-CD1 4Å
309K83.3Confident86.4Confident142 Ų14288 Ų8862%0.61742%0.416SS*.Hα-helixtrans-59.8-47.2176.4-174.2179178.3-177.40112S305 F307 Y311 M312 H313S305-K309 WeakPolarHBondContact O-CB 3.5Å; S305-K309 PolarHBondContact O-N 3.18Å; F307-K309 VanDerWaalsContact C-N 3.31Å; F307-K309 PolarHBondContact O-N 3.05Å; K309-Y311 VanDerWaalsContact C-N 3.34Å; K309-M312 PolarHBondContact O-N 3.5Å; K309-H313 PolarHBondContact O-N 3Å; K309-H313 VanDerWaalsContact O-N 3.07Å
310K85.8Confident86.8Confident156 Ų15678.9 Ų78.968%0.67838%0.382SS*.Hα-helixtrans-62.5-42.2175.2-72.9175.1-175.5178.60111.6E306 F307 H313 K314E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.44Å; E306-K310 VanDerWaalsContact O-N 3.07Å; F307-K310 PolarHBondContact O-N 3.22Å; K310-H313 PolarHBondContact O-N 3.3Å; K310-K314 PolarHBondContact O-N 3.44Å; K310-K314 VanDerWaalsContact O-N 3.07Å
311Y86.4Confident87.2Confident43 Ų4376.8 Ų76.817%0.16938%0.376CS..Hα-helixtrans-63.7-47.1177.8-174.7-101.1000111.8F307 L308 K309 H313 K314 V315 T379 L380 L405F307-Y311 WeakPolarHBondContact O-CB 3.15Å; F307-Y311 PolarHBondContact O-N 3.31Å; L308-Y311 PolarHBondContact O-N 3.44Å; K309-Y311 VanDerWaalsContact C-N 3.34Å; Y311-H313 VanDerWaalsContact C-N 3.32Å; Y311-H313 PolarHBondContact O-N 2.82Å; Y311-K314 CarbonylContact O-C 3.53Å; Y311-K314 WeakPolarHBondContact O-CA 3.07Å; Y311-K314 VanDerWaalsContact O-CB 3.25Å; Y311-K314 WeakPolarHBondContact O-CB 3.38Å; Y311-K314 PolarHBondContact O-N 3.31Å; Y311-V315 HydrophobicContact CD1-CG2 3.88Å; Y311-V315 HydrophobicContact CE1-CG2 3.5Å; Y311-V315 HydrophobicContact CE2-CG2 4.49Å; Y311-V315 WeakPolarHBondContact O-CG2 3.2Å; Y311-V315 PolarHBondContact O-N 3.38Å; Y311-T379 HydrophobicContact CE2-CG2 4.14Å; Y311-L380 PolarHBondContact OH-N 3.43Å; Y311-L405 HydrophobicContact CD1-CD1 4.29Å; Y311-L405 HydrophobicContact CD1-CD2 4.36Å; Y311-L405 HydrophobicContact CE1-CB 4.15Å; Y311-L405 HydrophobicContact CE1-CD1 4.22Å; Y311-L405 HydrophobicContact CE1-CD2 4.05Å; Y311-L405 HydrophobicContact CE1-CG 4.38Å; Y311-L405 PolarHBondContact OH-O 2.83Å; Y311-L405 VanDerWaalsContact OH-O 3.05Å
312M87.4Confident87.7Confident53 Ų5374.4 Ų74.426%0.26136%0.364SS..Hα-helixtrans-59.7-41.3177-74.6178.763.500112.3L308 K309 K314 V315 M316 R437L308-M312 HydrophobicContact CD1-CG 4.28Å; L308-M312 HydrophobicContact CD1-SD 4.44Å; L308-M312 HydrophobicContact CG-CG 4.35Å; L308-M312 HydrophobicContact CG-SD 4.07Å; L308-M312 WeakPolarHBondContact O-CB 3.37Å; L308-M312 VanDerWaalsContact O-CG 3.28Å; L308-M312 WeakPolarHBondContact O-CG 3.13Å; L308-M312 PolarHBondContact O-N 2.71Å; K309-M312 PolarHBondContact O-N 3.5Å; M312-K314 VanDerWaalsContact C-N 3.29Å; M312-K314 PolarHBondContact O-N 2.96Å; M312-V315 PolarHBondContact O-N 3.04Å; M312-M316 WeakPolarHBondContact O-CG 3.18Å; M312-M316 PolarHBondContact O-N 3.33Å; M312-R437 PolarHBondContact SD-NH1 3.16Å
313H88.9Confident88.4Confident114 Ų11471.8 Ų71.853%0.52835%0.345SS..Hα-helixtrans-61.2-39.9174.1-172.9-96.9000111.9K309 K310 Y311 N317K309-H313 PolarHBondContact O-N 3Å; K309-H313 VanDerWaalsContact O-N 3.07Å; K310-H313 PolarHBondContact O-N 3.3Å; Y311-H313 VanDerWaalsContact C-N 3.32Å; Y311-H313 PolarHBondContact O-N 2.82Å; H313-N317 PolarHBondContact CE1-ND2 3.34Å; H313-N317 PolarHBondContact ND1-ND2 2.88Å; H313-N317 PolarHBondContact O-N 2.87Å; H313-N317 PolarHBondContact O-ND2 2.68Å
314K88.6Confident89.1Confident89 Ų8970.8 Ų70.839%0.38734%0.339SS..Hα-helixtrans-63.2-45.1173.9-155-176.5-158.5-150.90111.6K310 Y311 M312 M316 N317 D318 T378 T379K310-K314 PolarHBondContact O-N 3.44Å; K310-K314 VanDerWaalsContact O-N 3.07Å; Y311-K314 CarbonylContact O-C 3.53Å; Y311-K314 WeakPolarHBondContact O-CA 3.07Å; Y311-K314 VanDerWaalsContact O-CB 3.25Å; Y311-K314 WeakPolarHBondContact O-CB 3.38Å; Y311-K314 PolarHBondContact O-N 3.31Å; M312-K314 VanDerWaalsContact C-N 3.29Å; M312-K314 PolarHBondContact O-N 2.96Å; K314-M316 PolarHBondContact O-N 3.39Å; K314-N317 CarbonylContact O-C 3.42Å; K314-N317 PolarHBondContact O-N 2.81Å; K314-D318 WeakPolarHBondContact O-CB 3.5Å; K314-D318 PolarHBondContact O-N 3.12Å; K314-T378 WeakPolarHBondContact CE-OG1 3.35Å; K314-T378 PolarHBondContact NZ-O 2.86Å; K314-T378 PolarHBondContact NZ-OG1 3.38Å; K314-T379 HydrophobicContact CB-CG2 4Å; K314-T379 HydrophobicContact CD-CG2 3.69Å; K314-T379 HydrophobicContact CG-CG2 3.76Å
315V90.6Very high89.9Confident5 Ų565.4 Ų65.43%0.0333%0.325CS..Hα-helixtrans-59-47.1178.1169.90000111.6Y311 M312 N317 D318 L319 T379 A381 L405Y311-V315 HydrophobicContact CD1-CG2 3.88Å; Y311-V315 HydrophobicContact CE1-CG2 3.5Å; Y311-V315 HydrophobicContact CE2-CG2 4.49Å; Y311-V315 WeakPolarHBondContact O-CG2 3.2Å; Y311-V315 PolarHBondContact O-N 3.38Å; M312-V315 PolarHBondContact O-N 3.04Å; V315-N317 PolarHBondContact O-N 2.87Å; V315-D318 PolarHBondContact O-N 3.19Å; V315-L319 HydrophobicContact CG1-CD1 3.46Å; V315-L319 VanDerWaalsContact CG1-CD1 3.46Å; V315-L319 HydrophobicContact CG1-CG 3.99Å; V315-L319 WeakPolarHBondContact O-CB 3.42Å; V315-L319 VanDerWaalsContact O-CG 3.28Å; V315-L319 WeakPolarHBondContact O-CG 3.3Å; V315-L319 PolarHBondContact O-N 3.06Å; V315-T379 HydrophobicContact CG2-CG2 3.94Å; V315-A381 HydrophobicContact CB-CB 4.22Å; V315-A381 HydrophobicContact CG1-CB 3.64Å; V315-A381 HydrophobicContact CG2-CB 3.59Å; V315-L405 HydrophobicContact CG1-CD2 4.22Å; V315-L405 HydrophobicContact CG2-CD2 4.12Å
316M88.8Confident90.4Very high120 Ų12063.8 Ų63.859%0.59131%0.312SS*.Hα-helixtrans-63.1-27.4176.4-66.3-174.9-62.900113M312 K314 K342M312-M316 WeakPolarHBondContact O-CG 3.18Å; M312-M316 PolarHBondContact O-N 3.33Å; K314-M316 PolarHBondContact O-N 3.39Å; M316-K342 PolarHBondContact O-NZ 3.26Å
317N88.4Confident91Very high80 Ų8059 Ų5943%0.42829%0.291SS..Hα-helixtrans-85.5-29.2178.1-72.5-32.2000113.7H313 K314 V315 K342H313-N317 PolarHBondContact CE1-ND2 3.34Å; H313-N317 PolarHBondContact ND1-ND2 2.88Å; H313-N317 PolarHBondContact O-N 2.87Å; H313-N317 PolarHBondContact O-ND2 2.68Å; K314-N317 CarbonylContact O-C 3.42Å; K314-N317 PolarHBondContact O-N 2.81Å; V315-N317 PolarHBondContact O-N 2.87Å; N317-K342 VanDerWaalsContact C-NZ 3.29Å; N317-K342 WeakPolarHBondContact O-CE 3.31Å; N317-K342 PolarHBondContact O-NZ 3.36Å
318D89.3Confident91.3Very high41 Ų4155.1 Ų55.122%0.21928%0.28CS..Hα-helixtrans-86.8-33.6-179.4-80.818.4000112.4K314 V315 T378 T379K314-D318 WeakPolarHBondContact O-CB 3.5Å; K314-D318 PolarHBondContact O-N 3.12Å; V315-D318 PolarHBondContact O-N 3.19Å; D318-T378 WeakPolarHBondContact OD2-CA 3.35Å; D318-T378 WeakPolarHBondContact OD2-CB 3.22Å; D318-T378 PolarHBondContact OD2-N 3.46Å; D318-T378 PolarHBondContact OD2-OG1 2.77Å; D318-T379 HydrophobicContact CB-CG2 4.49Å; D318-T379 PolarHBondContact OD2-N 3.37Å; D318-T379 PolarHBondContact OD2-OG1 3.07Å
319L93.4Very high91.8Very high12 Ų1258.3 Ų58.36%0.06329%0.294CS..SBendtrans-77.5145.6-172.6-69.4-174.4000113.4V315 K342 A381 Q383 P403V315-L319 HydrophobicContact CG1-CD1 3.46Å; V315-L319 VanDerWaalsContact CG1-CD1 3.46Å; V315-L319 HydrophobicContact CG1-CG 3.99Å; V315-L319 WeakPolarHBondContact O-CB 3.42Å; V315-L319 VanDerWaalsContact O-CG 3.28Å; V315-L319 WeakPolarHBondContact O-CG 3.3Å; V315-L319 PolarHBondContact O-N 3.06Å; L319-K342 WeakPolarHBondContact O-CE 3.37Å; L319-A381 HydrophobicContact CD1-CB 4.16Å; L319-A381 HydrophobicContact CD2-CB 4.22Å; L319-A381 HydrophobicContact CG-CB 4.39Å; L319-Q383 HydrophobicContact CB-CB 4.35Å; L319-Q383 HydrophobicContact CD1-CB 4.27Å; L319-Q383 HydrophobicContact CD2-CB 4.41Å; L319-P403 HydrophobicContact CD1-CB 3.81Å
320P95.5Very high92.3Very high2 Ų251.7 Ų51.71%0.01327%0.265CS..PPolyproline II helixtrans-70.3160.517130.9-34.8000111.5D339 F346 W348 Q383P320-D339 WeakPolarHBondContact CA-OD2 3.48Å; P320-D339 HydrophobicContact CB-CB 4.38Å; P320-F346 HydrophobicContact CB-CB 4.15Å; P320-F346 HydrophobicContact CB-CD1 3.94Å; P320-F346 HydrophobicContact CB-CD2 3.66Å; P320-F346 HydrophobicContact CB-CE1 4.2Å; P320-F346 HydrophobicContact CB-CE2 3.95Å; P320-F346 HydrophobicContact CB-CG 3.65Å; P320-F346 HydrophobicContact CB-CZ 4.2Å; P320-F346 HydrophobicContact CG-CB 4.06Å; P320-F346 HydrophobicContact CG-CD1 3.73Å; P320-F346 HydrophobicContact CG-CD2 4.32Å; P320-F346 HydrophobicContact CG-CE1 4.21Å; P320-F346 HydrophobicContact CG-CG 3.78Å; P320-W348 HydrophobicContact CB-CZ2 3.86Å; P320-W348 HydrophobicContact CG-CH2 3.95Å; P320-W348 HydrophobicContact CG-CZ2 3.41Å; P320-W348 VanDerWaalsContact CG-CZ2 3.41Å; P320-Q383 HydrophobicContact CG-CB 4.04Å; P320-Q383 WeakPolarHBondContact O-CG 3.31Å
321S95.6Very high92.6Very high10 Ų1046.9 Ų46.97%0.0725%0.254CS..PPolyproline II helixtrans-83.5148171.1-58.10000111.2D339 I341 N440S321-D339 PolarHBondContact N-OD2 2.92Å; S321-I341 WeakPolarHBondContact OG-CD1 3.41Å; S321-N440 VanDerWaalsContact CA-OD1 3.24Å; S321-N440 WeakPolarHBondContact CA-OD1 3.35Å
322C97Very high92.7Very high1 Ų154.8 Ų54.81%0.00729%0.285CS..PPolyproline II helixtrans-64.2131.1179.3-70.70000112C385 L393 N440C322-C385 WeakPolarHBondContact CA-SG 3.4Å; C322-C385 HydrophobicContact CB-CB 3.79Å; C322-C385 WeakPolarHBondContact CB-SG 3.42Å; C322-C385 WeakPolarHBondContact SG-CB 3.19Å; C322-C385 CovalentContact SG-SG 2.03Å; C322-C385 PolarHBondContact SG-SG 2.79Å; C322-L393 HydrophobicContact CB-CD1 3.69Å; C322-L393 HydrophobicContact CB-CD2 3.64Å; C322-L393 HydrophobicContact CB-CG 4.34Å; C322-N440 PolarHBondContact N-OD1 3.36Å
323P96.7Very high92.9Very high14 Ų1455.9 Ų55.99%0.09130%0.298CS..PPolyproline II helixtrans-62.3139.1168-20.731.8000111.1S325 I337 I369 Y387P323-S325 VanDerWaalsContact C-N 3.27Å; P323-S325 PolarHBondContact O-N 3.14Å; P323-I337 HydrophobicContact CG-CD1 4.31Å; P323-I337 HydrophobicContact CG-CG2 4.32Å; P323-I369 HydrophobicContact CG-CD1 4.32Å; P323-Y387 VanDerWaalsContact O-CE1 3.3Å; P323-Y387 WeakPolarHBondContact O-CE1 3.28Å; P323-Y387 PolarHBondContact O-OH 2.84Å
324C96.1Very high93.1Very high49 Ų4953.6 Ų53.633%0.33129%0.292SS..SBendtrans-68.2-24.5-177.8-59.30000114.4L393 C445C324-L393 WeakPolarHBondContact O-CB 3.03Å; C324-L393 PolarHBondContact O-N 2.57Å; C324-C445 WeakPolarHBondContact CA-SG 3.44Å; C324-C445 HydrophobicContact CB-CB 3.74Å; C324-C445 WeakPolarHBondContact CB-SG 3.48Å; C324-C445 VanDerWaalsContact SG-CA 3.58Å; C324-C445 WeakPolarHBondContact SG-CB 3.38Å; C324-C445 CovalentContact SG-SG 2.04Å; C324-C445 PolarHBondContact SG-SG 3.4Å
325S96.6Very high93.5Very high81 Ų8150 Ų5057%0.56628%0.28SS*.BIsolated β-bridgetrans-123.6145.9176.457.10000110.2P323 P327 Y387 M391P323-S325 VanDerWaalsContact C-N 3.27Å; P323-S325 PolarHBondContact O-N 3.14Å; S325-P327 WeakPolarHBondContact O-CD 3.36Å; S325-Y387 VanDerWaalsContact C-CE1 3.47Å; S325-M391 CarbonylContact C-O 3.38Å; S325-M391 WeakPolarHBondContact CA-O 3.25Å
326Y96.9Very high93.7Very high15 Ų1555 Ų556%0.05931%0.306CS..  trans-63.6123.2177.6-179.1-88.5000110.4T328 A331 D350 Y367 I369 Y387 M391Y326-T328 HydrophobicContact CD1-CG2 4.49Å; Y326-T328 PolarHBondContact O-N 3.25Å; Y326-A331 HydrophobicContact CE1-CB 4.26Å; Y326-D350 PolarHBondContact OH-OD1 2.95Å; Y326-Y367 HydrophobicContact CD2-CG 4.46Å; Y326-Y367 HydrophobicContact CE2-CG 4.42Å; Y326-I369 HydrophobicContact CD2-CG2 3.7Å; Y326-I369 HydrophobicContact CE2-CG2 3.28Å; Y326-Y387 AromaticContact CD2-CD2 3.64Å; Y326-Y387 HydrophobicContact CD2-CD2 3.64Å; Y326-Y387 AromaticContact CD2-CE2 3.93Å; Y326-Y387 HydrophobicContact CD2-CE2 3.93Å; Y326-Y387 HydrophobicContact CD2-CG 4.16Å; Y326-Y387 HydrophobicContact CG-CD2 4.39Å; Y326-M391 HydrophobicContact CD1-CE 3.4Å; Y326-M391 HydrophobicContact CE1-CE 4.23Å; Y326-M391 HydrophobicContact CG-CE 4.02Å; Y326-M391 PolarHBondContact N-O 3.47Å
327P95.8Very high94Very high16 Ų1651 Ų5110%0.10429%0.287CS..  trans-73.7106.9175.130-34.2000110.2S325 E329 V330 I337 I369S325-P327 WeakPolarHBondContact O-CD 3.36Å; P327-E329 PolarHBondContact O-N 3.27Å; P327-E329 VanDerWaalsContact O-N 3.15Å; P327-V330 HydrophobicContact CB-CG2 3.97Å; P327-V330 HydrophobicContact CG-CB 4.14Å; P327-V330 HydrophobicContact CG-CG2 3.57Å; P327-V330 WeakPolarHBondContact O-CB 3.29Å; P327-V330 PolarHBondContact O-N 3.32Å; P327-I337 HydrophobicContact CB-CD1 3.62Å; P327-I337 HydrophobicContact CG-CD1 3.45Å; P327-I337 VanDerWaalsContact CG-CD1 3.45Å; P327-I369 HydrophobicContact CG-CD1 3.92Å
328T93.8Very high94.3Very high71 Ų7151.3 Ų51.344%0.43628%0.284SS..G310 helixtrans-63.2-23.5-172.457.80000114.5Y326 V330 A331 M391Y326-T328 HydrophobicContact CD1-CG2 4.49Å; Y326-T328 PolarHBondContact O-N 3.25Å; T328-V330 PolarHBondContact O-N 3.07Å; T328-A331 WeakPolarHBondContact O-CB 3.49Å; T328-A331 PolarHBondContact O-N 3.15Å; T328-M391 HydrophobicContact CG2-CE 3.55Å
329E93Very high94.5Very high111 Ų11149.6 Ų49.652%0.51928%0.275SS..G310 helixtrans-62.4-32.2177.5-57.172.6-156.500111P327 A331 Y332 S333 A335P327-E329 PolarHBondContact O-N 3.27Å; P327-E329 VanDerWaalsContact O-N 3.15Å; E329-A331 PolarHBondContact O-N 2.95Å; E329-Y332 PolarHBondContact O-N 2.88Å; E329-S333 PolarHBondContact O-N 2.82Å; E329-A335 HydrophobicContact CB-CB 4.09Å
330V94.6Very high94.4Very high3 Ų357.5 Ų57.52%0.01830%0.304CS..G310 helixtrans-67.1-22.7-178.3176.20000112.6P327 T328 Y332 S333 A335 I337 W348 D350 I369P327-V330 HydrophobicContact CB-CG2 3.97Å; P327-V330 HydrophobicContact CG-CB 4.14Å; P327-V330 HydrophobicContact CG-CG2 3.57Å; P327-V330 WeakPolarHBondContact O-CB 3.29Å; P327-V330 PolarHBondContact O-N 3.32Å; T328-V330 PolarHBondContact O-N 3.07Å; V330-Y332 VanDerWaalsContact C-N 3.27Å; V330-Y332 PolarHBondContact O-N 3.39Å; V330-S333 CarbonylContact C-O 3.38Å; V330-S333 VanDerWaalsContact CA-O 3.23Å; V330-S333 WeakPolarHBondContact CA-O 3.47Å; V330-S333 VanDerWaalsContact O-O 3.1Å; V330-A335 HydrophobicContact CG2-CB 3.54Å; V330-I337 HydrophobicContact CG2-CD1 4.42Å; V330-W348 HydrophobicContact CG2-CB 4.06Å; V330-D350 HydrophobicContact CG1-CB 4.15Å; V330-D350 WeakPolarHBondContact O-CB 3.07Å; V330-I369 HydrophobicContact CB-CG2 4.42Å; V330-I369 HydrophobicContact CG1-CB 4.37Å; V330-I369 HydrophobicContact CG1-CG2 3.81Å
331A91.1Very high94.2Very high54 Ų5462 Ų6245%0.44633%0.327SS..G310 helixtrans-68.1-26.4178.400000113Y326 T328 E329Y326-A331 HydrophobicContact CE1-CB 4.26Å; T328-A331 WeakPolarHBondContact O-CB 3.49Å; T328-A331 PolarHBondContact O-N 3.15Å; E329-A331 PolarHBondContact O-N 2.95Å
332Y87.8Confident93.9Very high209 Ų20964.8 Ų64.882%0.8234%0.338SS*.THydrogen-bonded Turntrans-105.6-30.5-175.6-57.9-78.1000112.9E329 V330E329-Y332 PolarHBondContact O-N 2.88Å; V330-Y332 VanDerWaalsContact C-N 3.27Å; V330-Y332 PolarHBondContact O-N 3.39Å
333S92.1Very high93.7Very high77 Ų7773.9 Ų73.954%0.53837%0.372SS..SBendtrans-156.3-179.9179.563.70000111.3E329 V330E329-S333 PolarHBondContact O-N 2.82Å; V330-S333 CarbonylContact C-O 3.38Å; V330-S333 VanDerWaalsContact CA-O 3.23Å; V330-S333 WeakPolarHBondContact CA-O 3.47Å; V330-S333 VanDerWaalsContact O-O 3.1Å
334T94.3Very high93.4Very high65 Ų6576.7 Ų76.740%0.39938%0.383SS..  trans-67.3144.3167.858.30000110.5W348 K349 M372T334-W348 CarbonylContact C-O 3.55Å; T334-W348 VanDerWaalsContact CA-O 3.25Å; T334-W348 WeakPolarHBondContact CA-O 3.44Å; T334-K349 HydrophobicContact CG2-CB 4.28Å; T334-M372 HydrophobicContact CG2-CE 4.37Å; T334-M372 HydrophobicContact CG2-SD 3.55Å; T334-M372 VanDerWaalsContact CG2-SD 3.55Å
335A95.3Very high93.3Very high15 Ų1578.6 Ų78.612%0.12439%0.39CS..EExtended strand (participates in β ladder)trans-130.6143.4176.100000112.1E329 V330 W348E329-A335 HydrophobicContact CB-CB 4.09Å; V330-A335 HydrophobicContact CG2-CB 3.54Å; A335-W348 PolarHBondContact N-O 3.13Å; A335-W348 PolarHBondContact O-N 2.66Å
336D95.4Very high93.2Very high110 Ų11076 Ų7659%0.58837%0.368SS*.EExtended strand (participates in β ladder)trans-89.1124172.2-71.8-61.8000110R347D336-R347 WeakPolarHBondContact OD1-CG 3.35Å
337I95.1Very high93.1Very high36 Ų3681 Ų8119%0.18539%0.387CS..EExtended strand (participates in β ladder)trans-124.7124.6-178.3-54.2177.3000109.1P323 P327 V330 D339 F346 W348P323-I337 HydrophobicContact CG-CD1 4.31Å; P323-I337 HydrophobicContact CG-CG2 4.32Å; P327-I337 HydrophobicContact CB-CD1 3.62Å; P327-I337 HydrophobicContact CG-CD1 3.45Å; P327-I337 VanDerWaalsContact CG-CD1 3.45Å; V330-I337 HydrophobicContact CG2-CD1 4.42Å; I337-D339 PolarHBondContact O-N 3.47Å; I337-F346 PolarHBondContact N-O 3.38Å; I337-F346 PolarHBondContact O-N 3.41Å; I337-W348 HydrophobicContact CD1-CB 4.2Å; I337-W348 HydrophobicContact CD1-CG 3.91Å; I337-W348 HydrophobicContact CG1-CG 4.43Å
338F94.4Very high93.1Very high86 Ų8680.4 Ų80.438%0.37738%0.383SS..EExtended strand (participates in β ladder)trans-72.9119.7178.6-173.2-102.3000111.8R340 R343 D345F338-R340 HydrophobicContact CD1-CG 4.29Å; F338-R340 HydrophobicContact CE1-CG 4.39Å; F338-R343 HydrophobicContact CZ-CB 4.39Å; F338-D345 WeakPolarHBondContact CA-OD1 3.36Å; F338-D345 VanDerWaalsContact CB-OD1 3.22Å; F338-D345 WeakPolarHBondContact CB-OD1 3.4Å; F338-D345 WeakPolarHBondContact CD2-OD1 3.38Å; F338-D345 PolarHBondContact N-OD1 3.14Å
339D93.7Very high93.2Very high4 Ų479.2 Ų79.22%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-87.1119.1171.2-172-64000110.6P320 S321 I337 I341 K342 R343 K344 F346P320-D339 WeakPolarHBondContact CA-OD2 3.48Å; P320-D339 HydrophobicContact CB-CB 4.38Å; S321-D339 PolarHBondContact N-OD2 2.92Å; I337-D339 PolarHBondContact O-N 3.47Å; D339-I341 VanDerWaalsContact C-N 3.34Å; D339-I341 PolarHBondContact O-N 3.42Å; D339-I341 WeakPolarHBondContact OD1-CA 3.49Å; D339-I341 WeakPolarHBondContact OD1-CB 3.15Å; D339-I341 PolarHBondContact OD1-N 2.96Å; D339-K342 HydrophobicContact CB-CB 4.2Å; D339-K342 PolarHBondContact OD1-N 2.03Å; D339-R343 VanDerWaalsContact O-CA 3.25Å; D339-R343 WeakPolarHBondContact O-CA 3.45Å; D339-R343 PolarHBondContact O-N 3.29Å; D339-K344 PolarHBondContact N-O 2.8Å; D339-K344 PolarHBondContact O-N 3.08Å; D339-F346 HydrophobicContact CB-CD2 3.84Å; D339-F346 HydrophobicContact CB-CE2 3.85Å
340R91.4Very high93.3Very high179 Ų17976.7 Ų76.768%0.67536%0.361SS*.THydrogen-bonded Turntrans-70.3-27.9-177.6-63.6-177.5-178.3-83.5-2113.8F338 R343F338-R340 HydrophobicContact CD1-CG 4.29Å; F338-R340 HydrophobicContact CE1-CG 4.39Å; R340-R343 WeakPolarHBondContact O-CD 3.3Å; R340-R343 PolarHBondContact O-NE 3.17Å
341I91Very high93.4Very high96 Ų9676.7 Ų76.749%0.49236%0.362SS..THydrogen-bonded Turntrans-81.5-44.6-176.3-63.4165.2000109.3S321 D339 G442 Q443S321-I341 WeakPolarHBondContact OG-CD1 3.41Å; D339-I341 VanDerWaalsContact C-N 3.34Å; D339-I341 PolarHBondContact O-N 3.42Å; D339-I341 WeakPolarHBondContact OD1-CA 3.49Å; D339-I341 WeakPolarHBondContact OD1-CB 3.15Å; D339-I341 PolarHBondContact OD1-N 2.96Å; I341-G442 WeakPolarHBondContact CD1-O 3.36Å; I341-Q443 HydrophobicContact CD1-CG 4.34Å
342K90.3Very high93.6Very high69 Ų6975.6 Ų75.630%0.335%0.351SS..THydrogen-bonded Turntrans-84.6-14.8178.1-58.2-62.5-176.3-178.70113.5M316 N317 L319 D339 K344 F346M316-K342 PolarHBondContact O-NZ 3.26Å; N317-K342 VanDerWaalsContact C-NZ 3.29Å; N317-K342 WeakPolarHBondContact O-CE 3.31Å; N317-K342 PolarHBondContact O-NZ 3.36Å; L319-K342 WeakPolarHBondContact O-CE 3.37Å; D339-K342 HydrophobicContact CB-CB 4.2Å; D339-K342 PolarHBondContact OD1-N 2.03Å; K342-K344 VanDerWaalsContact C-N 3.29Å; K342-K344 PolarHBondContact O-N 3.17Å; K342-F346 HydrophobicContact CB-CE2 3.91Å; K342-F346 HydrophobicContact CB-CZ 4.21Å; K342-F346 HydrophobicContact CG-CE2 4.25Å; K342-F346 HydrophobicContact CG-CZ 4.28Å
343R92.5Very high93.6Very high191 Ų19167.1 Ų67.172%0.72133%0.327SS*.THydrogen-bonded Turntrans55.642.2-177.6-62.7-67.8-174.8154.92.6112.7F338 D339 R340F338-R343 HydrophobicContact CZ-CB 4.39Å; D339-R343 VanDerWaalsContact O-CA 3.25Å; D339-R343 WeakPolarHBondContact O-CA 3.45Å; D339-R343 PolarHBondContact O-N 3.29Å; R340-R343 WeakPolarHBondContact O-CD 3.3Å; R340-R343 PolarHBondContact O-NE 3.17Å
344K91.3Very high93.4Very high74 Ų7469.4 Ų69.432%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-148.2148.5-176.1-178.6176.8-179.6177.50110.4D339 K342 F346 E376D339-K344 PolarHBondContact N-O 2.8Å; D339-K344 PolarHBondContact O-N 3.08Å; K342-K344 VanDerWaalsContact C-N 3.29Å; K342-K344 PolarHBondContact O-N 3.17Å; K344-F346 HydrophobicContact CB-CE2 3.92Å; K344-F346 HydrophobicContact CB-CZ 4.46Å; K344-F346 HydrophobicContact CD-CE2 4.46Å; K344-F346 HydrophobicContact CD-CZ 4.29Å; K344-F346 HydrophobicContact CG-CE2 4.21Å; K344-F346 VanDerWaalsContact O-CD2 3.31Å; K344-F346 WeakPolarHBondContact O-CD2 3.5Å; K344-E376 WeakPolarHBondContact CE-OE2 3.47Å; K344-E376 IonicContact NZ-OE2 2.66Å; K344-E376 PolarHBondContact NZ-OE2 3.26Å
345D92.6Very high93Very high89 Ų8975.9 Ų75.948%0.47636%0.363SS..EExtended strand (participates in β ladder)trans-79.8135.8171.3-62.7-64.2000111.5F338F338-D345 WeakPolarHBondContact CA-OD1 3.36Å; F338-D345 VanDerWaalsContact CB-OD1 3.22Å; F338-D345 WeakPolarHBondContact CB-OD1 3.4Å; F338-D345 WeakPolarHBondContact CD2-OD1 3.38Å; F338-D345 PolarHBondContact N-OD1 3.14Å
346F94.5Very high92.7Very high25 Ų2577 Ų7711%0.1137%0.365CS..EExtended strand (participates in β ladder)trans-121.4139.6175.5-69.5-97.8000109.7P320 I337 D339 K342 K344P320-F346 HydrophobicContact CB-CB 4.15Å; P320-F346 HydrophobicContact CB-CD1 3.94Å; P320-F346 HydrophobicContact CB-CD2 3.66Å; P320-F346 HydrophobicContact CB-CE1 4.2Å; P320-F346 HydrophobicContact CB-CE2 3.95Å; P320-F346 HydrophobicContact CB-CG 3.65Å; P320-F346 HydrophobicContact CB-CZ 4.2Å; P320-F346 HydrophobicContact CG-CB 4.06Å; P320-F346 HydrophobicContact CG-CD1 3.73Å; P320-F346 HydrophobicContact CG-CD2 4.32Å; P320-F346 HydrophobicContact CG-CE1 4.21Å; P320-F346 HydrophobicContact CG-CG 3.78Å; I337-F346 PolarHBondContact N-O 3.38Å; I337-F346 PolarHBondContact O-N 3.41Å; D339-F346 HydrophobicContact CB-CD2 3.84Å; D339-F346 HydrophobicContact CB-CE2 3.85Å; K342-F346 HydrophobicContact CB-CE2 3.91Å; K342-F346 HydrophobicContact CB-CZ 4.21Å; K342-F346 HydrophobicContact CG-CE2 4.25Å; K342-F346 HydrophobicContact CG-CZ 4.28Å; K344-F346 HydrophobicContact CB-CE2 3.92Å; K344-F346 HydrophobicContact CB-CZ 4.46Å; K344-F346 HydrophobicContact CD-CE2 4.46Å; K344-F346 HydrophobicContact CD-CZ 4.29Å; K344-F346 HydrophobicContact CG-CE2 4.21Å; K344-F346 VanDerWaalsContact O-CD2 3.31Å; K344-F346 WeakPolarHBondContact O-CD2 3.5Å
347R94.9Very high92.4Very high122 Ų12277.1 Ų77.146%0.4636%0.36SS..EExtended strand (participates in β ladder)trans-81.3131.5175.4-73.6177.468.1-162-0.7110.3D336 S371 M372D336-R347 WeakPolarHBondContact OD1-CG 3.35Å; R347-S371 CarbonylContact O-C 3.55Å; R347-S371 WeakPolarHBondContact O-CA 3.25Å; R347-M372 HydrophobicContact CB-CB 4Å; R347-M372 HydrophobicContact CB-CG 4.18Å; R347-M372 HydrophobicContact CB-SD 4.13Å; R347-M372 PolarHBondContact O-N 3.38Å
348W96.9Very high92.3Very high3 Ų376.4 Ų76.41%0.01136%0.357CS..EExtended strand (participates in β ladder)trans-123.6151.6178.6-65.285.9000111.1P320 V330 T334 A335 I337 I369 R370 S371 Q383P320-W348 HydrophobicContact CB-CZ2 3.86Å; P320-W348 HydrophobicContact CG-CH2 3.95Å; P320-W348 HydrophobicContact CG-CZ2 3.41Å; P320-W348 VanDerWaalsContact CG-CZ2 3.41Å; V330-W348 HydrophobicContact CG2-CB 4.06Å; T334-W348 CarbonylContact C-O 3.55Å; T334-W348 VanDerWaalsContact CA-O 3.25Å; T334-W348 WeakPolarHBondContact CA-O 3.44Å; A335-W348 PolarHBondContact N-O 3.13Å; A335-W348 PolarHBondContact O-N 2.66Å; I337-W348 HydrophobicContact CD1-CB 4.2Å; I337-W348 HydrophobicContact CD1-CG 3.91Å; I337-W348 HydrophobicContact CG1-CG 4.43Å; W348-I369 HydrophobicContact CD2-CD1 4.06Å; W348-I369 HydrophobicContact CD2-CG1 4.43Å; W348-I369 HydrophobicContact CE3-CB 4.15Å; W348-I369 HydrophobicContact CE3-CD1 3.58Å; W348-I369 HydrophobicContact CE3-CG1 3.5Å; W348-I369 HydrophobicContact CZ3-CD1 3.92Å; W348-I369 HydrophobicContact CZ3-CG1 3.72Å; W348-R370 WeakPolarHBondContact CA-O 3.49Å; W348-S371 VanDerWaalsContact CE3-N 3.27Å; W348-Q383 HydrophobicContact CH2-CB 3.78Å; W348-Q383 HydrophobicContact CH2-CG 3.57Å; W348-Q383 HydrophobicContact CZ3-CB 4.18Å; W348-Q383 HydrophobicContact CZ3-CG 4.16Å
349K95.6Very high92Very high45 Ų4580.7 Ų80.720%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-138.6157.5173.868.7177.5-173.3178.70111T334 I369 R370 M372 E409T334-K349 HydrophobicContact CG2-CB 4.28Å; K349-I369 CarbonylContact O-C 3.52Å; K349-I369 WeakPolarHBondContact O-CA 3.32Å; K349-R370 PolarHBondContact N-O 3.29Å; K349-R370 VanDerWaalsContact NZ-NH2 3.16Å; K349-R370 PolarHBondContact O-N 3.11Å; K349-M372 HydrophobicContact CB-CG 4.46Å; K349-M372 HydrophobicContact CD-CG 4.25Å; K349-M372 HydrophobicContact CG-CG 4.29Å; K349-E409 WeakPolarHBondContact CD-OE1 3.31Å; K349-E409 WeakPolarHBondContact CE-OE1 3.32Å; K349-E409 VanDerWaalsContact NZ-CD 3.34Å; K349-E409 IonicContact NZ-OE1 3.16Å; K349-E409 PolarHBondContact NZ-OE1 3.17Å
350D95.5Very high91.8Very high58 Ų5885.3 Ų85.331%0.3140%0.402SS..EExtended strand (participates in β ladder)trans-68.4139.4177-173.974.1000111.2Y326 V330 S352Y326-D350 PolarHBondContact OH-OD1 2.95Å; V330-D350 HydrophobicContact CG1-CB 4.15Å; V330-D350 WeakPolarHBondContact O-CB 3.07Å; D350-S352 WeakPolarHBondContact OD1-CB 3.47Å; D350-S352 PolarHBondContact OD1-OG 3.28Å; D350-S352 WeakPolarHBondContact OD2-CA 3.23Å; D350-S352 WeakPolarHBondContact OD2-CB 3.36Å; D350-S352 PolarHBondContact OD2-N 3.47Å; D350-S352 PolarHBondContact OD2-OG 3.05Å
351A95.6Very high91.8Very high3 Ų378.7 Ų78.73%0.02538%0.377CS..  trans-129.935.4176.600000109.9E356 C368 R370A351-E356 HydrophobicContact CB-CG 4.37Å; A351-E356 WeakPolarHBondContact O-CG 3.33Å; A351-C368 CarbonylContact C-O 3.45Å; A351-C368 WeakPolarHBondContact CA-O 3.24Å; A351-C368 HydrophobicContact CB-CB 4.3Å; A351-C368 PolarHBondContact N-O 3.23Å; A351-R370 HydrophobicContact CB-CB 4.07Å
352S94.8Very high91.9Very high32 Ų3274.8 Ų74.822%0.22436%0.357CS..  trans-97.8-0.3179.7-46.50000112.9D350 Y367 C368D350-S352 WeakPolarHBondContact OD1-CB 3.47Å; D350-S352 PolarHBondContact OD1-OG 3.28Å; D350-S352 WeakPolarHBondContact OD2-CA 3.23Å; D350-S352 WeakPolarHBondContact OD2-CB 3.36Å; D350-S352 PolarHBondContact OD2-N 3.47Å; D350-S352 PolarHBondContact OD2-OG 3.05Å; S352-Y367 VanDerWaalsContact OG-CA 3.27Å; S352-Y367 WeakPolarHBondContact OG-CA 3.28Å; S352-C368 PolarHBondContact OG-N 2.81Å; S352-C368 PolarHBondContact OG-O 3.17Å
353G89.3Confident92Very high30 Ų3074.7 Ų74.731%0.30936%0.363SS..SBendtrans-72.1164.6-175.800000114.7K355 E356G353-K355 PolarHBondContact O-N 3.05Å; G353-E356 PolarHBondContact O-N 2.98Å
354P87.6Confident92.1Very high125 Ų12568.1 Ų68.181%0.81234%0.344SS*.G310 helixtrans-63-19.7-175.225.5-35.4000114.2E356 K357P354-E356 PolarHBondContact O-N 3.48Å; P354-K357 PolarHBondContact O-N 3.38Å
355K85.4Confident92.3Very high202 Ų20265.2 Ų65.288%0.87833%0.334SS*.G310 helixtrans-63.7-27.3176.3-65.3-175.3179.61800112.8G353 K357G353-K355 PolarHBondContact O-N 3.05Å; K355-K357 VanDerWaalsContact C-N 3.33Å
356E88.5Confident92.4Very high37 Ų3768 Ų6817%0.17334%0.338CS..G310 helixtrans-84.3-12-177.1-59.9-74.2164.500111.9A351 G353 P354 L358 R370 H384A351-E356 HydrophobicContact CB-CG 4.37Å; A351-E356 WeakPolarHBondContact O-CG 3.33Å; G353-E356 PolarHBondContact O-N 2.98Å; P354-E356 PolarHBondContact O-N 3.48Å; E356-L358 VanDerWaalsContact C-N 3.28Å; E356-L358 HydrophobicContact CB-CD2 3.88Å; E356-L358 HydrophobicContact CB-CG 4.28Å; E356-L358 PolarHBondContact O-N 2.81Å; E356-R370 IonicContact OE1-NH2 3.62Å; E356-H384 IonicContact OE2-CE1 2.88Å
357K90.3Very high92.6Very high113 Ų11370.5 Ų70.549%0.49135%0.347SS..  trans46.849.5178.2-58.7-177.3-178.7-179.90112.6P354 K355 E359 I360 Y361P354-K357 PolarHBondContact O-N 3.38Å; K355-K357 VanDerWaalsContact C-N 3.33Å; K357-E359 PolarHBondContact O-N 2.87Å; K357-I360 HydrophobicContact CB-CD1 4.39Å; K357-I360 HydrophobicContact CD-CD1 4.32Å; K357-I360 PolarHBondContact O-N 3.25Å; K357-Y361 HydrophobicContact CB-CD2 3.9Å; K357-Y361 HydrophobicContact CB-CE2 3.86Å; K357-Y361 HydrophobicContact CD-CE2 4.09Å; K357-Y361 PolarHBondContact O-N 2.94Å; K357-Y361 VanDerWaalsContact O-N 3.12Å
358L91.9Very high92.7Very high21 Ų2164.7 Ų64.711%0.1133%0.325CS..Hα-helixtrans-55.6-36.7-175-61.7-173.1000112.6E356 I360 Y361 K362 P363E356-L358 VanDerWaalsContact C-N 3.28Å; E356-L358 HydrophobicContact CB-CD2 3.88Å; E356-L358 HydrophobicContact CB-CG 4.28Å; E356-L358 PolarHBondContact O-N 2.81Å; L358-I360 PolarHBondContact O-N 2.79Å; L358-Y361 PolarHBondContact O-N 2.79Å; L358-K362 HydrophobicContact CD2-CB 4.16Å; L358-K362 HydrophobicContact CD2-CG 4.33Å; L358-K362 CarbonylContact O-C 3.49Å; L358-K362 VanDerWaalsContact O-CA 3.23Å; L358-K362 WeakPolarHBondContact O-CA 3.39Å; L358-K362 PolarHBondContact O-N 2.84Å; L358-K362 VanDerWaalsContact O-O 3.04Å; L358-P363 VanDerWaalsContact O-N 3.16Å
359E88.6Confident92.7Very high177 Ų17764.6 Ų64.683%0.82733%0.325SS*.Hα-helixtrans-56.6-24.3176.6-63.6177.6-177.100113.9K357K357-E359 PolarHBondContact O-N 2.87Å
360I89.6Confident92.8Very high101 Ų10162.8 Ų62.852%0.51832%0.317SS..Hα-helixtrans-97.3-54.9179.1-59.9174.2000110.1K357 L358K357-I360 HydrophobicContact CB-CD1 4.39Å; K357-I360 HydrophobicContact CD-CD1 4.32Å; K357-I360 PolarHBondContact O-N 3.25Å; L358-I360 PolarHBondContact O-N 2.79Å
361Y90.3Very high92.8Very high39 Ų3960.2 Ų60.215%0.15330%0.303CS..Hα-helixtrans-89.7-19-168.6-58.5-57.2000114.2K357 L358 V420 W423 I424K357-Y361 HydrophobicContact CB-CD2 3.9Å; K357-Y361 HydrophobicContact CB-CE2 3.86Å; K357-Y361 HydrophobicContact CD-CE2 4.09Å; K357-Y361 PolarHBondContact O-N 2.94Å; K357-Y361 VanDerWaalsContact O-N 3.12Å; L358-Y361 PolarHBondContact O-N 2.79Å; Y361-V420 HydrophobicContact CD1-CG1 4.3Å; Y361-V420 HydrophobicContact CE1-CG1 3.66Å; Y361-V420 HydrophobicContact CE2-CG1 4.03Å; Y361-W423 HydrophobicContact CD1-CG 4.49Å; Y361-I424 HydrophobicContact CE1-CD1 4.49Å; Y361-I424 HydrophobicContact CE1-CG1 4.28Å
362K95Very high92.6Very high15 Ų1561.8 Ų61.87%0.06531%0.31CS..SBendtrans-146.557.9-176.5-60.5-69.4164.2-109.90111L358 T364 A365 A400L358-K362 HydrophobicContact CD2-CB 4.16Å; L358-K362 HydrophobicContact CD2-CG 4.33Å; L358-K362 CarbonylContact O-C 3.49Å; L358-K362 VanDerWaalsContact O-CA 3.23Å; L358-K362 WeakPolarHBondContact O-CA 3.39Å; L358-K362 PolarHBondContact O-N 2.84Å; L358-K362 VanDerWaalsContact O-O 3.04Å; K362-T364 PolarHBondContact O-N 2.86Å; K362-A365 HydrophobicContact CB-CB 3.88Å; K362-A365 WeakPolarHBondContact O-CB 3Å; K362-A365 PolarHBondContact O-N 3.26Å; K362-A400 WeakPolarHBondContact CD-O 3.19Å; K362-A400 WeakPolarHBondContact CE-O 3.33Å; K362-A400 PolarHBondContact NZ-O 3.41Å
363P91.6Very high92.4Very high66 Ų6662.6 Ų62.643%0.42931%0.312SS..THydrogen-bonded Turntrans-63.5-19.2-164.322.9-34.6000115.6L358 K398L358-P363 VanDerWaalsContact O-N 3.16Å; P363-K398 HydrophobicContact CG-CB 4.45Å; P363-K398 HydrophobicContact CG-CD 4.07Å; P363-K398 HydrophobicContact CG-CG 4.03Å
364T93.5Very high92Very high53 Ų5363.8 Ų63.833%0.32532%0.316SS..THydrogen-bonded Turntrans-99.20.2176.2650000113.3K362 I394 K398 G399K362-T364 PolarHBondContact O-N 2.86Å; T364-I394 WeakPolarHBondContact O-CD1 3.39Å; T364-K398 HydrophobicContact CG2-CD 4.24Å; T364-K398 HydrophobicContact CG2-CG 3.78Å; T364-G399 WeakPolarHBondContact OG1-CA 3.05Å; T364-G399 PolarHBondContact OG1-N 3.4Å
365A96.7Very high91.4Very high13 Ų1366.7 Ų66.711%0.10732%0.323CS..  trans-90.6135.6175.800000110.2K362 C386 I394K362-A365 HydrophobicContact CB-CB 3.88Å; K362-A365 WeakPolarHBondContact O-CB 3Å; K362-A365 PolarHBondContact O-N 3.26Å; A365-C386 HydrophobicContact CB-CB 3.71Å; A365-I394 HydrophobicContact CB-CD1 3.94Å
366R95.4Very high90.8Very high147 Ų14763.8 Ų63.856%0.55531%0.313SS*.SBendtrans-99.6-36.9174.1-17066-174.1146.2-1112.2Y387R366-Y387 PolarHBondContact N-O 3.05Å
367Y96.8Very high90.1Very high79 Ų7964 Ų6431%0.3132%0.318SS..EExtended strand (participates in β ladder)trans-129.7143.5-179.9-48.4-79.3000109.5Y326 S352 C386 Y387 M391Y326-Y367 HydrophobicContact CD2-CG 4.46Å; Y326-Y367 HydrophobicContact CE2-CG 4.42Å; S352-Y367 VanDerWaalsContact OG-CA 3.27Å; S352-Y367 WeakPolarHBondContact OG-CA 3.28Å; Y367-C386 CarbonylContact O-C 3.59Å; Y367-C386 WeakPolarHBondContact O-CA 3.38Å; Y367-Y387 PolarHBondContact N-O 3.44Å; Y367-Y387 PolarHBondContact O-N 3.4Å; Y367-M391 HydrophobicContact CD2-CG 4.47Å; Y367-M391 HydrophobicContact CE2-CG 4.21Å
368C97.6Very high89.5Confident0 Ų062.2 Ų62.20%032%0.317CS..EExtended strand (participates in β ladder)trans-135.6151.7168.7-56.80000109.7A351 S352 H384 C385 C386A351-C368 CarbonylContact C-O 3.45Å; A351-C368 WeakPolarHBondContact CA-O 3.24Å; A351-C368 HydrophobicContact CB-CB 4.3Å; A351-C368 PolarHBondContact N-O 3.23Å; S352-C368 PolarHBondContact OG-N 2.81Å; S352-C368 PolarHBondContact OG-O 3.17Å; C368-H384 WeakPolarHBondContact CB-NE2 3.35Å; C368-C385 CarbonylContact C-O 3.13Å; C368-C385 WeakPolarHBondContact CA-O 3.12Å; C368-C385 WeakPolarHBondContact CB-O 3.38Å; C368-C386 HydrophobicContact CB-CB 4.15Å; C368-C386 WeakPolarHBondContact CB-SG 3.49Å; C368-C386 WeakPolarHBondContact SG-CB 3.48Å; C368-C386 CovalentContact SG-SG 2.05Å; C368-C386 PolarHBondContact SG-SG 3.21Å
369I97.5Very high89.3Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-126156.8173.468.7-176.8000109.1P323 Y326 P327 V330 W348 K349 H384 C385 Y387P323-I369 HydrophobicContact CG-CD1 4.32Å; Y326-I369 HydrophobicContact CD2-CG2 3.7Å; Y326-I369 HydrophobicContact CE2-CG2 3.28Å; P327-I369 HydrophobicContact CG-CD1 3.92Å; V330-I369 HydrophobicContact CB-CG2 4.42Å; V330-I369 HydrophobicContact CG1-CB 4.37Å; V330-I369 HydrophobicContact CG1-CG2 3.81Å; W348-I369 HydrophobicContact CD2-CD1 4.06Å; W348-I369 HydrophobicContact CD2-CG1 4.43Å; W348-I369 HydrophobicContact CE3-CB 4.15Å; W348-I369 HydrophobicContact CE3-CD1 3.58Å; W348-I369 HydrophobicContact CE3-CG1 3.5Å; W348-I369 HydrophobicContact CZ3-CD1 3.92Å; W348-I369 HydrophobicContact CZ3-CG1 3.72Å; K349-I369 CarbonylContact O-C 3.52Å; K349-I369 WeakPolarHBondContact O-CA 3.32Å; I369-H384 WeakPolarHBondContact O-CA 3.22Å; I369-C385 HydrophobicContact CD1-CB 4.47Å; I369-C385 HydrophobicContact CG1-CB 3.96Å; I369-C385 PolarHBondContact N-O 2.77Å; I369-C385 PolarHBondContact O-N 2.71Å; I369-Y387 HydrophobicContact CD1-CE2 3.93Å; I369-Y387 WeakPolarHBondContact CD1-OH 3.34Å; I369-Y387 HydrophobicContact CG1-CE2 3.88Å; I369-Y387 HydrophobicContact CG2-CE2 4.3Å
370R96.8Very high89.3Confident8 Ų856.2 Ų56.23%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-134.7137.5177.5-178165.949.2118.7-8.3111.6W348 K349 A351 E356 A382 Q383 S407 T408W348-R370 WeakPolarHBondContact CA-O 3.49Å; K349-R370 PolarHBondContact N-O 3.29Å; K349-R370 VanDerWaalsContact NZ-NH2 3.16Å; K349-R370 PolarHBondContact O-N 3.11Å; A351-R370 HydrophobicContact CB-CB 4.07Å; E356-R370 IonicContact OE1-NH2 3.62Å; R370-A382 HydrophobicContact CG-CB 3.76Å; R370-Q383 CarbonylContact C-O 3.45Å; R370-Q383 VanDerWaalsContact CA-O 3.23Å; R370-Q383 WeakPolarHBondContact CA-O 3.45Å; R370-S407 PolarHBondContact NH1-OG 2.65Å; R370-T408 VanDerWaalsContact NH1-N 3.18Å; R370-T408 PolarHBondContact NH1-OG1 2.73Å; R370-T408 PolarHBondContact NH2-OG1 3.4Å
371S95.9Very high89.4Confident3 Ų351.6 Ų51.62%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-71.2138.517372.10000109.8R347 W348 A382 Q383R347-S371 CarbonylContact O-C 3.55Å; R347-S371 WeakPolarHBondContact O-CA 3.25Å; W348-S371 VanDerWaalsContact CE3-N 3.27Å; S371-A382 WeakPolarHBondContact O-CB 3.48Å; S371-Q383 PolarHBondContact N-O 3.46Å; S371-Q383 PolarHBondContact OG-N 3.03Å
372M92.6Very high89.7Confident37 Ų3749.7 Ų49.718%0.18226%0.26CS..PPolyproline II helixtrans-79156.2174.2-59.7-171.876.200110.8T334 R347 K349 E409T334-M372 HydrophobicContact CG2-CE 4.37Å; T334-M372 HydrophobicContact CG2-SD 3.55Å; T334-M372 VanDerWaalsContact CG2-SD 3.55Å; R347-M372 HydrophobicContact CB-CB 4Å; R347-M372 HydrophobicContact CB-CG 4.18Å; R347-M372 HydrophobicContact CB-SD 4.13Å; R347-M372 PolarHBondContact O-N 3.38Å; K349-M372 HydrophobicContact CB-CG 4.46Å; K349-M372 HydrophobicContact CD-CG 4.25Å; K349-M372 HydrophobicContact CG-CG 4.29Å; M372-E409 WeakPolarHBondContact CE-OE1 3.31Å
373L89.7Confident89.8Confident49 Ų4949.1 Ų49.126%0.25726%0.257SS..PPolyproline II helixtrans-71139.5171.7-65.1177.3000110.4A381 E409 F410L373-A381 WeakPolarHBondContact CD2-O 3.23Å; L373-E409 PolarHBondContact N-OE2 2.77Å; L373-F410 HydrophobicContact CD1-CB 3.94Å
374S81.3Confident90Very high55 Ų5546.4 Ų46.439%0.38524%0.239SC..  trans-110151.1170.1179.50000110E376 S377S374-E376 PolarHBondContact O-N 2.92Å; S374-E376 PolarHBondContact OG-N 2.99Å; S374-S377 PolarHBondContact N-OG 3.24Å; S374-S377 VanDerWaalsContact O-CB 3.24Å; S374-S377 WeakPolarHBondContact O-CB 3.1Å; S374-S377 PolarHBondContact O-N 3.29Å; S374-S377 PolarHBondContact O-OG 2.98Å
375L74.3Confident90.2Very high186 Ų18643.9 Ų43.997%0.97422%0.224SC*.THydrogen-bonded Turntrans-62.7-24.2174.1-67.7168.1000112.2S377L375-S377 VanDerWaalsContact C-N 3.34Å
376E72.6Confident90.3Very high141 Ų14143.3 Ų43.366%0.65922%0.219SC*.THydrogen-bonded Turntrans-84.1-12176.5-61.2176.1178.900112.7K344 S374 T378K344-E376 WeakPolarHBondContact CE-OE2 3.47Å; K344-E376 IonicContact NZ-OE2 2.66Å; K344-E376 PolarHBondContact NZ-OE2 3.26Å; S374-E376 PolarHBondContact O-N 2.92Å; S374-E376 PolarHBondContact OG-N 2.99Å; E376-T378 PolarHBondContact O-N 3.24Å
377S73.5Confident90.4Very high40 Ų4036.3 Ų36.328%0.2819%0.192SC..  trans-70.4129.8179.3-650000109.6S374 L375 T379S374-S377 PolarHBondContact N-OG 3.24Å; S374-S377 VanDerWaalsContact O-CB 3.24Å; S374-S377 WeakPolarHBondContact O-CB 3.1Å; S374-S377 PolarHBondContact O-N 3.29Å; S374-S377 PolarHBondContact O-OG 2.98Å; L375-S377 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.44Å
378T78.6Confident90.4Very high76 Ų7633 Ų3347%0.46618%0.182SC..SBendtrans-90.54.6-178.878.80000112.4K314 D318 E376K314-T378 WeakPolarHBondContact CE-OG1 3.35Å; K314-T378 PolarHBondContact NZ-O 2.86Å; K314-T378 PolarHBondContact NZ-OG1 3.38Å; D318-T378 WeakPolarHBondContact OD2-CA 3.35Å; D318-T378 WeakPolarHBondContact OD2-CB 3.22Å; D318-T378 PolarHBondContact OD2-N 3.46Å; D318-T378 PolarHBondContact OD2-OG1 2.77Å; E376-T378 PolarHBondContact O-N 3.24Å
379T86.7Confident90.2Very high8 Ų839.2 Ų39.25%0.04922%0.216CC..SBendtrans-131.6155.8-179.7580000110.1Y311 K314 V315 D318 S377Y311-T379 HydrophobicContact CE2-CG2 4.14Å; K314-T379 HydrophobicContact CB-CG2 4Å; K314-T379 HydrophobicContact CD-CG2 3.69Å; K314-T379 HydrophobicContact CG-CG2 3.76Å; V315-T379 HydrophobicContact CG2-CG2 3.94Å; D318-T379 HydrophobicContact CB-CG2 4.49Å; D318-T379 PolarHBondContact OD2-N 3.37Å; D318-T379 PolarHBondContact OD2-OG1 3.07Å; S377-T379 PolarHBondContact O-N 3.44Å
380L89.5Confident90.1Very high65 Ų6544.2 Ų44.234%0.3424%0.242SC..SBendtrans-89.38.5172.8-60.4176.2000112Y311 L405 I406 S407 F410Y311-L380 PolarHBondContact OH-N 3.43Å; L380-L405 CarbonylContact C-O 3.57Å; L380-I406 HydrophobicContact CB-CD1 4.11Å; L380-I406 HydrophobicContact CD1-CD1 4.28Å; L380-I406 CarbonylContact O-C 3.58Å; L380-I406 WeakPolarHBondContact O-CA 3.33Å; L380-S407 PolarHBondContact O-N 2.72Å; L380-F410 HydrophobicContact CD1-CD1 3.97Å; L380-F410 HydrophobicContact CD1-CD2 4.43Å; L380-F410 HydrophobicContact CD1-CE1 3.72Å; L380-F410 HydrophobicContact CD1-CE2 4.21Å; L380-F410 HydrophobicContact CD1-CG 4.32Å; L380-F410 HydrophobicContact CD1-CZ 3.85Å; L380-F410 HydrophobicContact CD2-CD2 3.96Å; L380-F410 HydrophobicContact CD2-CE2 4.15Å; L380-F410 HydrophobicContact CD2-CG 4.25Å
381A92.8Very high90Very high3 Ų346.8 Ų46.83%0.02526%0.255CS..  trans-77.7154.4-175.700000111V315 L319 L373 N404 L405V315-A381 HydrophobicContact CB-CB 4.22Å; V315-A381 HydrophobicContact CG1-CB 3.64Å; V315-A381 HydrophobicContact CG2-CB 3.59Å; L319-A381 HydrophobicContact CD1-CB 4.16Å; L319-A381 HydrophobicContact CD2-CB 4.22Å; L319-A381 HydrophobicContact CG-CB 4.39Å; L373-A381 WeakPolarHBondContact CD2-O 3.23Å; A381-N404 CarbonylContact C-O 3.6Å; A381-N404 WeakPolarHBondContact CA-O 3.39Å; A381-N404 WeakPolarHBondContact CB-O 3.22Å; A381-L405 VanDerWaalsContact CA-O 3.31Å; A381-L405 WeakPolarHBondContact CA-O 3.2Å; A381-L405 PolarHBondContact N-O 3.22Å
382A95.4Very high90.1Very high0 Ų049.5 Ų49.50%027%0.268CS..BIsolated β-bridgetrans-131.6136.9172.800000109.6R370 S371 N404R370-A382 HydrophobicContact CG-CB 3.76Å; S371-A382 WeakPolarHBondContact O-CB 3.48Å; A382-N404 PolarHBondContact N-O 3.24Å; A382-N404 PolarHBondContact O-N 2.66Å
383Q96.8Very high90.3Very high2 Ų247.9 Ų47.91%0.00926%0.26CS..  trans-72.5132.5171-174.257.348.600108.6L319 P320 W348 R370 S371 N440L319-Q383 HydrophobicContact CB-CB 4.35Å; L319-Q383 HydrophobicContact CD1-CB 4.27Å; L319-Q383 HydrophobicContact CD2-CB 4.41Å; P320-Q383 HydrophobicContact CG-CB 4.04Å; P320-Q383 WeakPolarHBondContact O-CG 3.31Å; W348-Q383 HydrophobicContact CH2-CB 3.78Å; W348-Q383 HydrophobicContact CH2-CG 3.57Å; W348-Q383 HydrophobicContact CZ3-CB 4.18Å; W348-Q383 HydrophobicContact CZ3-CG 4.16Å; R370-Q383 CarbonylContact C-O 3.45Å; R370-Q383 VanDerWaalsContact CA-O 3.23Å; R370-Q383 WeakPolarHBondContact CA-O 3.45Å; S371-Q383 PolarHBondContact N-O 3.46Å; S371-Q383 PolarHBondContact OG-N 3.03Å; Q383-N440 VanDerWaalsContact NE2-CB 3.28Å
384H97.2Very high90.7Very high9 Ų946 Ų464%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-121.3126.2175.5-168116.7000108E356 C368 I369 C386 G401 T402E356-H384 IonicContact OE2-CE1 2.88Å; C368-H384 WeakPolarHBondContact CB-NE2 3.35Å; I369-H384 WeakPolarHBondContact O-CA 3.22Å; H384-C386 VanDerWaalsContact CD2-SG 3.54Å; H384-C386 PolarHBondContact NE2-SG 3.07Å; H384-G401 CarbonylContact O-C 3.48Å; H384-T402 WeakPolarHBondContact CB-O 3.43Å
385C97.8Very high91.4Very high1 Ų144 Ų441%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-128.2135.7-177.3-53.30000108.6C322 C368 I369 Y387 L393C322-C385 WeakPolarHBondContact CA-SG 3.4Å; C322-C385 HydrophobicContact CB-CB 3.79Å; C322-C385 WeakPolarHBondContact CB-SG 3.42Å; C322-C385 WeakPolarHBondContact SG-CB 3.19Å; C322-C385 CovalentContact SG-SG 2.03Å; C322-C385 PolarHBondContact SG-SG 2.79Å; C368-C385 CarbonylContact C-O 3.13Å; C368-C385 WeakPolarHBondContact CA-O 3.12Å; C368-C385 WeakPolarHBondContact CB-O 3.38Å; I369-C385 HydrophobicContact CD1-CB 4.47Å; I369-C385 HydrophobicContact CG1-CB 3.96Å; I369-C385 PolarHBondContact N-O 2.77Å; I369-C385 PolarHBondContact O-N 2.71Å; C385-Y387 HydrophobicContact CB-CE2 4.02Å; C385-L393 HydrophobicContact CB-CD1 4.05Å
386C98Very high92.4Very high0 Ų037.1 Ų37.10%020%0.196CC..EExtended strand (participates in β ladder)trans-123.6148.2-178.1-72.30000111.1A365 Y367 C368 H384 I394 G399A365-C386 HydrophobicContact CB-CB 3.71Å; Y367-C386 CarbonylContact O-C 3.59Å; Y367-C386 WeakPolarHBondContact O-CA 3.38Å; C368-C386 HydrophobicContact CB-CB 4.15Å; C368-C386 WeakPolarHBondContact CB-SG 3.49Å; C368-C386 WeakPolarHBondContact SG-CB 3.48Å; C368-C386 CovalentContact SG-SG 2.05Å; C368-C386 PolarHBondContact SG-SG 3.21Å; H384-C386 VanDerWaalsContact CD2-SG 3.54Å; H384-C386 PolarHBondContact NE2-SG 3.07Å; C386-I394 PolarHBondContact O-N 3.06Å; C386-G399 VanDerWaalsContact CB-O 3.24Å; C386-G399 WeakPolarHBondContact CB-O 3.45Å
387Y97.8Very high93.5Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-130.7144.5-169.1-56.8-95.9000110.1P323 S325 Y326 R366 Y367 I369 C385 M391 Q392 L393P323-Y387 VanDerWaalsContact O-CE1 3.3Å; P323-Y387 WeakPolarHBondContact O-CE1 3.28Å; P323-Y387 PolarHBondContact O-OH 2.84Å; S325-Y387 VanDerWaalsContact C-CE1 3.47Å; Y326-Y387 AromaticContact CD2-CD2 3.64Å; Y326-Y387 HydrophobicContact CD2-CD2 3.64Å; Y326-Y387 AromaticContact CD2-CE2 3.93Å; Y326-Y387 HydrophobicContact CD2-CE2 3.93Å; Y326-Y387 HydrophobicContact CD2-CG 4.16Å; Y326-Y387 HydrophobicContact CG-CD2 4.39Å; R366-Y387 PolarHBondContact N-O 3.05Å; Y367-Y387 PolarHBondContact N-O 3.44Å; Y367-Y387 PolarHBondContact O-N 3.4Å; I369-Y387 HydrophobicContact CD1-CE2 3.93Å; I369-Y387 WeakPolarHBondContact CD1-OH 3.34Å; I369-Y387 HydrophobicContact CG1-CE2 3.88Å; I369-Y387 HydrophobicContact CG2-CE2 4.3Å; C385-Y387 HydrophobicContact CB-CE2 4.02Å; Y387-M391 WeakPolarHBondContact CD1-O 3.43Å; Y387-Q392 VanDerWaalsContact CA-O 3.22Å; Y387-Q392 WeakPolarHBondContact CA-O 3.32Å; Y387-L393 HydrophobicContact CD1-CB 4.24Å; Y387-L393 HydrophobicContact CE1-CB 4.01Å; Y387-L393 HydrophobicContact CE1-CD1 4.12Å
388G95.8Very high94.4Very high10 Ų1031.1 Ų31.110%0.10316%0.163CC..  trans-76.8-173.6175.100000112.6N390 M391 Q392G388-N390 PolarHBondContact O-N 2.77Å; G388-M391 PolarHBondContact O-N 3.44Å; G388-Q392 PolarHBondContact N-O 3.4Å
389D94.1Very high95.2Very high131 Ų13127.5 Ų27.570%0.70114%0.141SC*.THydrogen-bonded Turntrans-61-29.9179.5-62.9-49.4000113.3M391D389-M391 PolarHBondContact O-N 3.45Å
390N94.5Very high95.7Very high104 Ų10427.1 Ų27.156%0.55614%0.139SC*.THydrogen-bonded Turntrans-8310176.869.2-12.9000113.6G388 Q392G388-N390 PolarHBondContact O-N 2.77Å; N390-Q392 PolarHBondContact ND2-OE1 3.49Å; N390-Q392 PolarHBondContact O-N 3.29Å; N390-Q392 VanDerWaalsContact O-N 3.14Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.43Å; N390-Q392 PolarHBondContact OD1-N 2.87Å; N390-Q392 VanDerWaalsContact OD1-N 3.1Å
391M96Very high96Very high63 Ų6324.2 Ų24.231%0.3112%0.124SC..SBendtrans62.118.2-178.9-52.4-178.579.900113.8S325 Y326 T328 Y367 Y387 G388 D389S325-M391 CarbonylContact C-O 3.38Å; S325-M391 WeakPolarHBondContact CA-O 3.25Å; Y326-M391 HydrophobicContact CD1-CE 3.4Å; Y326-M391 HydrophobicContact CE1-CE 4.23Å; Y326-M391 HydrophobicContact CG-CE 4.02Å; Y326-M391 PolarHBondContact N-O 3.47Å; T328-M391 HydrophobicContact CG2-CE 3.55Å; Y367-M391 HydrophobicContact CD2-CG 4.47Å; Y367-M391 HydrophobicContact CE2-CG 4.21Å; Y387-M391 WeakPolarHBondContact CD1-O 3.43Å; G388-M391 PolarHBondContact O-N 3.44Å; D389-M391 PolarHBondContact O-N 3.45Å
392Q96.8Very high96.1Very high60 Ų6024.2 Ų24.228%0.2812%0.124SC..BIsolated β-bridgetrans-92.1142.1175.7-168.6177.816.200110.6Y387 G388 N390 I394Y387-Q392 VanDerWaalsContact CA-O 3.22Å; Y387-Q392 WeakPolarHBondContact CA-O 3.32Å; G388-Q392 PolarHBondContact N-O 3.4Å; N390-Q392 PolarHBondContact ND2-OE1 3.49Å; N390-Q392 PolarHBondContact O-N 3.29Å; N390-Q392 VanDerWaalsContact O-N 3.14Å; N390-Q392 WeakPolarHBondContact OD1-CB 3.43Å; N390-Q392 PolarHBondContact OD1-N 2.87Å; N390-Q392 VanDerWaalsContact OD1-N 3.1Å; Q392-I394 PolarHBondContact O-N 2.96Å
393L97.9Very high96.1Very high3 Ų325.4 Ų25.42%0.01613%0.132CC..BIsolated β-bridgetrans-58.1129.5178.4-179.568.3000110.8C322 C324 C385 Y387 T395 C445C322-L393 HydrophobicContact CB-CD1 3.69Å; C322-L393 HydrophobicContact CB-CD2 3.64Å; C322-L393 HydrophobicContact CB-CG 4.34Å; C324-L393 WeakPolarHBondContact O-CB 3.03Å; C324-L393 PolarHBondContact O-N 2.57Å; C385-L393 HydrophobicContact CB-CD1 4.05Å; Y387-L393 HydrophobicContact CD1-CB 4.24Å; Y387-L393 HydrophobicContact CE1-CB 4.01Å; Y387-L393 HydrophobicContact CE1-CD1 4.12Å; L393-T395 HydrophobicContact CD2-CG2 4.02Å; L393-T395 HydrophobicContact CG-CG2 4.14Å; L393-T395 PolarHBondContact O-N 2.84Å; L393-C445 HydrophobicContact CD2-CB 4.2Å
394I97.6Very high96Very high8 Ų825.8 Ų25.84%0.04113%0.134CC..  trans-84.6104.5169.4-57.5169.9000107.1T364 A365 C386 Q392 R396 A400T364-I394 WeakPolarHBondContact O-CD1 3.39Å; A365-I394 HydrophobicContact CB-CD1 3.94Å; C386-I394 PolarHBondContact O-N 3.06Å; Q392-I394 PolarHBondContact O-N 2.96Å; I394-R396 WeakPolarHBondContact CG2-O 3.34Å; I394-A400 HydrophobicContact CG2-CB 4Å
395T96.8Very high95.8Very high13 Ų1325.8 Ų25.88%0.0813%0.134CC..  trans-85.2-19.3-172.961.20000112.8L393 N441 C445 E447 S448L393-T395 HydrophobicContact CD2-CG2 4.02Å; L393-T395 HydrophobicContact CG-CG2 4.14Å; L393-T395 PolarHBondContact O-N 2.84Å; T395-N441 HydrophobicContact CG2-CB 4.25Å; T395-C445 HydrophobicContact CG2-CB 4.2Å; T395-E447 WeakPolarHBondContact OG1-CA 3.35Å; T395-S448 PolarHBondContact N-O 2.97Å; T395-S448 PolarHBondContact OG1-N 3.47Å; T395-S448 PolarHBondContact OG1-O 2.96Å
396R95.4Very high95.4Very high43 Ų4326.8 Ų26.816%0.16214%0.139CC..SBendtrans-154.9171.5-178.462.6-172.9179.2173.28.6111.3I394 E447 S448 P449 S450 D451 Y454I394-R396 WeakPolarHBondContact CG2-O 3.34Å; R396-E447 IonicContact CZ-OE2 2.73Å; R396-E447 VanDerWaalsContact CZ-OE2 3.23Å; R396-E447 IonicContact NE-OE2 3.09Å; R396-E447 IonicContact NH1-OE2 3.69Å; R396-E447 PolarHBondContact NH1-OE2 3.42Å; R396-E447 IonicContact NH2-OE2 3.83Å; R396-S448 PolarHBondContact N-O 2.99Å; R396-S448 VanDerWaalsContact N-O 3.16Å; R396-P449 PolarHBondContact NE-O 3.37Å; R396-P449 VanDerWaalsContact NE-O 3.1Å; R396-P449 PolarHBondContact NH2-O 3.12Å; R396-P449 WeakPolarHBondContact O-CD 3.24Å; R396-S450 PolarHBondContact NH2-O 3.49Å; R396-D451 IonicContact CZ-OD1 3.05Å; R396-D451 IonicContact NH1-OD1 3.99Å; R396-D451 PolarHBondContact NH1-OD1 2.99Å; R396-D451 VanDerWaalsContact NH2-N 3.14Å; R396-D451 IonicContact NH2-OD1 2.71Å; R396-D451 PolarHBondContact NH2-OD1 3.35Å; R396-Y454 HydrophobicContact CB-CD2 4.11Å; R396-Y454 HydrophobicContact CB-CE2 3.94Å; R396-Y454 HydrophobicContact CG-CD2 3.73Å; R396-Y454 HydrophobicContact CG-CE2 4.07Å; R396-Y454 HydrophobicContact CG-CG 4.44Å
397G94.5Very high94.9Very high1 Ų126.8 Ų26.81%0.0114%0.139CC..SBendtrans87-171.3178.500000114.3G399 A400 N434G397-G399 VanDerWaalsContact C-N 3.34Å; G397-G399 PolarHBondContact O-N 3.36Å; G397-A400 WeakPolarHBondContact O-CB 3.21Å; G397-A400 PolarHBondContact O-N 3.42Å; G397-N434 PolarHBondContact O-ND2 3.07Å
398K93.6Very high94.4Very high54 Ų5428.5 Ų28.524%0.23515%0.15CC..THydrogen-bonded Turntrans-69.7-23.5-169.564.6-170.1174.9-170.60115.4P363 T364 W430 Q457 E460P363-K398 HydrophobicContact CG-CB 4.45Å; P363-K398 HydrophobicContact CG-CD 4.07Å; P363-K398 HydrophobicContact CG-CG 4.03Å; T364-K398 HydrophobicContact CG2-CD 4.24Å; T364-K398 HydrophobicContact CG2-CG 3.78Å; K398-W430 HydrophobicContact CB-CB 4.41Å; K398-W430 VanDerWaalsContact CB-CD1 3.46Å; K398-W430 HydrophobicContact CB-CD2 4.02Å; K398-W430 HydrophobicContact CB-CG 3.7Å; K398-Q457 HydrophobicContact CD-CG 4.3Å; K398-E460 IonicContact NZ-OE2 2.78Å; K398-E460 PolarHBondContact NZ-OE2 3.43Å
399G95.1Very high94Very high0 Ų031.3 Ų31.30%016%0.16CC..THydrogen-bonded Turntrans-95.71.2175.400000115T364 C386 G397 G401T364-G399 WeakPolarHBondContact OG1-CA 3.05Å; T364-G399 PolarHBondContact OG1-N 3.4Å; C386-G399 VanDerWaalsContact CB-O 3.24Å; C386-G399 WeakPolarHBondContact CB-O 3.45Å; G397-G399 VanDerWaalsContact C-N 3.34Å; G397-G399 PolarHBondContact O-N 3.36Å; G399-G401 PolarHBondContact O-N 2.89Å
400A96.6Very high93.6Very high0 Ų030.4 Ų30.40%015%0.15CC..  trans-68.3134.6-178.600000111.2K362 I394 G397 P439K362-A400 WeakPolarHBondContact CD-O 3.19Å; K362-A400 WeakPolarHBondContact CE-O 3.33Å; K362-A400 PolarHBondContact NZ-O 3.41Å; I394-A400 HydrophobicContact CG2-CB 4Å; G397-A400 WeakPolarHBondContact O-CB 3.21Å; G397-A400 PolarHBondContact O-N 3.42Å; A400-P439 HydrophobicContact CB-CB 3.81Å; A400-P439 HydrophobicContact CB-CG 3.49Å; A400-P439 VanDerWaalsContact CB-CG 3.49Å
401G95.9Very high93.2Very high3 Ų326.9 Ų26.93%0.03113%0.134CC..  trans-73.8136.2175.300000111.1H384 G399 P439H384-G401 CarbonylContact O-C 3.48Å; G399-G401 PolarHBondContact O-N 2.89Å; G401-P439 WeakPolarHBondContact O-CA 2.87Å; G401-P439 WeakPolarHBondContact O-CB 3.31Å
402T95.5Very high92.6Very high4 Ų427 Ų273%0.02514%0.144CC..  trans-118141.3179.553.10000110.3H384 N404 Y433 R437 P439H384-T402 WeakPolarHBondContact CB-O 3.43Å; T402-N404 PolarHBondContact O-N 3.07Å; T402-Y433 HydrophobicContact CG2-CE1 3.93Å; T402-R437 WeakPolarHBondContact CG2-O 3.49Å; T402-P439 HydrophobicContact CG2-CG 4.22Å
403P95.3Very high92.1Very high25 Ų2529 Ų2916%0.16215%0.154CC..  trans-55135.7178.8-20.429.5000112L319 P438L319-P403 HydrophobicContact CD1-CB 3.81Å; P403-P438 WeakPolarHBondContact CD-O 3.29Å
404N94.8Very high91.5Very high9 Ų932.3 Ų32.35%0.04817%0.171CC..BIsolated β-bridgetrans-88.6126.6173.3-55.7136.9000108.8A381 A382 T402 I406 H415 D419A381-N404 CarbonylContact C-O 3.6Å; A381-N404 WeakPolarHBondContact CA-O 3.39Å; A381-N404 WeakPolarHBondContact CB-O 3.22Å; A382-N404 PolarHBondContact N-O 3.24Å; A382-N404 PolarHBondContact O-N 2.66Å; T402-N404 PolarHBondContact O-N 3.07Å; N404-I406 PolarHBondContact O-N 3.45Å; N404-H415 PolarHBondContact ND2-CE1 3.45Å; N404-D419 WeakPolarHBondContact CB-OD2 2.96Å
405L91.7Very high90.9Very high9 Ų932.8 Ų32.85%0.04717%0.173CC..SBendtrans-68.9-27.9173.4-67.7-160.6000111.8L308 Y311 V315 L380 A381 V418 D419L308-L405 HydrophobicContact CD1-CD1 4Å; Y311-L405 HydrophobicContact CD1-CD1 4.29Å; Y311-L405 HydrophobicContact CD1-CD2 4.36Å; Y311-L405 HydrophobicContact CE1-CB 4.15Å; Y311-L405 HydrophobicContact CE1-CD1 4.22Å; Y311-L405 HydrophobicContact CE1-CD2 4.05Å; Y311-L405 HydrophobicContact CE1-CG 4.38Å; Y311-L405 PolarHBondContact OH-O 2.83Å; Y311-L405 VanDerWaalsContact OH-O 3.05Å; V315-L405 HydrophobicContact CG1-CD2 4.22Å; V315-L405 HydrophobicContact CG2-CD2 4.12Å; L380-L405 CarbonylContact C-O 3.57Å; A381-L405 VanDerWaalsContact CA-O 3.31Å; A381-L405 WeakPolarHBondContact CA-O 3.2Å; A381-L405 PolarHBondContact N-O 3.22Å; L405-V418 HydrophobicContact CB-CG1 3.86Å; L405-V418 HydrophobicContact CD1-CG1 3.98Å; L405-V418 HydrophobicContact CG-CG1 4.33Å; L405-D419 PolarHBondContact N-OD1 3.35Å; L405-D419 PolarHBondContact N-OD2 3.21Å
406I89.3Confident90.5Very high22 Ų2237.3 Ų37.311%0.11319%0.189CC..SBendtrans-126.7119.1175-54.5-66.1000109L380 N404 F410 L414 H415 V418 D419L380-I406 HydrophobicContact CB-CD1 4.11Å; L380-I406 HydrophobicContact CD1-CD1 4.28Å; L380-I406 CarbonylContact O-C 3.58Å; L380-I406 WeakPolarHBondContact O-CA 3.33Å; N404-I406 PolarHBondContact O-N 3.45Å; I406-F410 HydrophobicContact CG2-CD1 3.94Å; I406-L414 HydrophobicContact CG1-CB 4.45Å; I406-L414 HydrophobicContact CG2-CB 3.93Å; I406-H415 WeakPolarHBondContact O-CB 3.22Å; I406-H415 PolarHBondContact O-ND1 3.25Å; I406-H415 VanDerWaalsContact O-ND1 3.14Å; I406-V418 HydrophobicContact CG1-CB 4.39Å; I406-V418 HydrophobicContact CG1-CG2 4.38Å; I406-D419 PolarHBondContact N-OD2 3.06Å; I406-D419 VanDerWaalsContact N-OD2 3.12Å
407S88.5Confident90.1Very high0 Ų040.3 Ų40.30%020%0.204CC..  trans-63.9136.1173.1-176.30000110.4R370 L380 E409 F410 S411R370-S407 PolarHBondContact NH1-OG 2.65Å; L380-S407 PolarHBondContact O-N 2.72Å; S407-E409 PolarHBondContact O-N 2.96Å; S407-E409 VanDerWaalsContact O-N 3.11Å; S407-E409 PolarHBondContact OG-N 2.91Å; S407-F410 WeakPolarHBondContact O-CB 3.4Å; S407-F410 PolarHBondContact O-N 2.98Å; S407-S411 PolarHBondContact O-N 2.84Å; S407-S411 VanDerWaalsContact O-N 3.17Å
408T87.9Confident89.8Confident36 Ų3642.8 Ų42.822%0.22122%0.218CC..THydrogen-bonded Turntrans-65.6-11.4172.367.90000113.6R370 F410 H415R370-T408 VanDerWaalsContact NH1-N 3.18Å; R370-T408 PolarHBondContact NH1-OG1 2.73Å; R370-T408 PolarHBondContact NH2-OG1 3.4Å; T408-F410 VanDerWaalsContact C-N 3.31Å; T408-H415 HydrophobicContact CG2-CB 3.72Å; T408-H415 WeakPolarHBondContact CG2-CD2 3.25Å
409E85.6Confident89.7Confident70 Ų7040.3 Ų40.333%0.32721%0.208SC..THydrogen-bonded Turntrans-69.7-31.9169.3-67-179.1164.500112.1K349 M372 L373 S407K349-E409 WeakPolarHBondContact CD-OE1 3.31Å; K349-E409 WeakPolarHBondContact CE-OE1 3.32Å; K349-E409 VanDerWaalsContact NZ-CD 3.34Å; K349-E409 IonicContact NZ-OE1 3.16Å; K349-E409 PolarHBondContact NZ-OE1 3.17Å; M372-E409 WeakPolarHBondContact CE-OE1 3.31Å; L373-E409 PolarHBondContact N-OE2 2.77Å; S407-E409 PolarHBondContact O-N 2.96Å; S407-E409 VanDerWaalsContact O-N 3.11Å; S407-E409 PolarHBondContact OG-N 2.91Å
410F86.6Confident89.5Confident112 Ų11241.2 Ų41.249%0.49121%0.213SC..THydrogen-bonded Turntrans-81.1-53.4176.4178-100.1000110.6L373 L380 I406 S407 T408 L414L373-F410 HydrophobicContact CD1-CB 3.94Å; L380-F410 HydrophobicContact CD1-CD1 3.97Å; L380-F410 HydrophobicContact CD1-CD2 4.43Å; L380-F410 HydrophobicContact CD1-CE1 3.72Å; L380-F410 HydrophobicContact CD1-CE2 4.21Å; L380-F410 HydrophobicContact CD1-CG 4.32Å; L380-F410 HydrophobicContact CD1-CZ 3.85Å; L380-F410 HydrophobicContact CD2-CD2 3.96Å; L380-F410 HydrophobicContact CD2-CE2 4.15Å; L380-F410 HydrophobicContact CD2-CG 4.25Å; I406-F410 HydrophobicContact CG2-CD1 3.94Å; S407-F410 WeakPolarHBondContact O-CB 3.4Å; S407-F410 PolarHBondContact O-N 2.98Å; T408-F410 VanDerWaalsContact C-N 3.31Å; F410-L414 HydrophobicContact CD1-CD1 4.44Å; F410-L414 HydrophobicContact CE1-CD1 3.94Å
411S85.1Confident89.1Confident30 Ų3043.9 Ų43.921%0.2123%0.227CC..  trans-159.8117.1176.9174.80000111.3S407 E413 L414 H415S407-S411 PolarHBondContact O-N 2.84Å; S407-S411 VanDerWaalsContact O-N 3.17Å; S411-E413 VanDerWaalsContact C-N 3.31Å; S411-E413 PolarHBondContact O-N 2.9Å; S411-L414 PolarHBondContact OG-N 3.46Å; S411-L414 VanDerWaalsContact OG-N 3.17Å; S411-H415 VanDerWaalsContact O-CB 3.3Å; S411-H415 WeakPolarHBondContact O-CB 3.24Å; S411-H415 PolarHBondContact O-N 3.5Å
412A85.1Confident88.8Confident64 Ų6444 Ų4453%0.52923%0.227SC..Hα-helixtrans-65.6-33.9174.300000112.4Y416A412-Y416 WeakPolarHBondContact O-CB 3.47Å; A412-Y416 PolarHBondContact O-N 2.87Å
413E85.8Confident88.4Confident103 Ų10345.8 Ų45.848%0.48123%0.234SC..Hα-helixtrans-70.1-44.9179.6-168.3-169.7154.700111.6S411 Y416 K417S411-E413 VanDerWaalsContact C-N 3.31Å; S411-E413 PolarHBondContact O-N 2.9Å; E413-Y416 WeakPolarHBondContact O-CB 2.87Å; E413-Y416 PolarHBondContact O-N 3.35Å; E413-K417 PolarHBondContact O-N 3.49Å; E413-K417 IonicContact OE1-NZ 2.66Å; E413-K417 PolarHBondContact OE1-NZ 3.29Å
414L84.3Confident88.1Confident73 Ų7347.8 Ų47.838%0.38224%0.242SC..Hα-helixtrans-67.4-40.7176.9-71.6174.3000111.4I406 F410 S411 Y416 K417 V418I406-L414 HydrophobicContact CG1-CB 4.45Å; I406-L414 HydrophobicContact CG2-CB 3.93Å; F410-L414 HydrophobicContact CD1-CD1 4.44Å; F410-L414 HydrophobicContact CE1-CD1 3.94Å; S411-L414 PolarHBondContact OG-N 3.46Å; S411-L414 VanDerWaalsContact OG-N 3.17Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 3.05Å; L414-K417 PolarHBondContact O-N 2.96Å; L414-V418 WeakPolarHBondContact O-CB 3.4Å; L414-V418 WeakPolarHBondContact O-CG2 3.21Å; L414-V418 PolarHBondContact O-N 2.58Å
415H86.8Confident87.7Confident17 Ų1750.4 Ų50.48%0.07926%0.256CS..Hα-helixtrans-55.2-47.7171.4170.970000111.5N404 I406 T408 S411 K417 V418 D419 V420N404-H415 PolarHBondContact ND2-CE1 3.45Å; I406-H415 WeakPolarHBondContact O-CB 3.22Å; I406-H415 PolarHBondContact O-ND1 3.25Å; I406-H415 VanDerWaalsContact O-ND1 3.14Å; T408-H415 HydrophobicContact CG2-CB 3.72Å; T408-H415 WeakPolarHBondContact CG2-CD2 3.25Å; S411-H415 VanDerWaalsContact O-CB 3.3Å; S411-H415 WeakPolarHBondContact O-CB 3.24Å; S411-H415 PolarHBondContact O-N 3.5Å; H415-K417 VanDerWaalsContact C-N 3.33Å; H415-K417 PolarHBondContact O-N 3.49Å; H415-V418 PolarHBondContact O-N 3.02Å; H415-D419 IonicContact CE1-OD2 3.04Å; H415-D419 IonicContact CG-OD2 2.61Å; H415-D419 IonicContact ND1-OD2 2.72Å; H415-D419 PolarHBondContact ND1-OD2 3.29Å; H415-D419 WeakPolarHBondContact O-CA 3.44Å; H415-D419 VanDerWaalsContact O-CB 3.31Å; H415-D419 WeakPolarHBondContact O-CB 3.49Å; H415-D419 PolarHBondContact O-N 3.39Å; H415-V420 PolarHBondContact O-N 3.15Å
416Y86.9Confident87.5Confident108 Ų10850.2 Ų50.242%0.42426%0.255SS..Iπ-helixtrans-57.8-47176.6-179.3-98.8000111.5A412 E413 L414 V418 V420 L421 I424A412-Y416 WeakPolarHBondContact O-CB 3.47Å; A412-Y416 PolarHBondContact O-N 2.87Å; E413-Y416 WeakPolarHBondContact O-CB 2.87Å; E413-Y416 PolarHBondContact O-N 3.35Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 3.05Å; Y416-V418 PolarHBondContact O-N 2.82Å; Y416-V420 HydrophobicContact CD2-CB 3.91Å; Y416-V420 HydrophobicContact CD2-CG1 3.93Å; Y416-V420 HydrophobicContact CD2-CG2 4.37Å; Y416-V420 HydrophobicContact CE2-CB 4.35Å; Y416-V420 HydrophobicContact CE2-CG1 3.93Å; Y416-V420 WeakPolarHBondContact O-CB 3.48Å; Y416-V420 PolarHBondContact O-N 3.27Å; Y416-L421 HydrophobicContact CD1-CD2 4.25Å; Y416-L421 HydrophobicContact CD1-CG 4.15Å; Y416-L421 HydrophobicContact CE1-CD2 3.51Å; Y416-L421 HydrophobicContact CE1-CG 3.92Å; Y416-L421 WeakPolarHBondContact O-CG 3.17Å; Y416-L421 PolarHBondContact O-N 2.88Å; Y416-I424 HydrophobicContact CE2-CD1 4.23Å
417K87.1Confident87.3Confident107 Ų10756.6 Ų56.647%0.46528%0.282SS..Iπ-helixtrans-66.8-36.9-178.7-74.1175.3173.7165.90114.1E413 L414 H415 L421E413-K417 PolarHBondContact O-N 3.49Å; E413-K417 IonicContact OE1-NZ 2.66Å; E413-K417 PolarHBondContact OE1-NZ 3.29Å; L414-K417 PolarHBondContact O-N 2.96Å; H415-K417 VanDerWaalsContact C-N 3.33Å; H415-K417 PolarHBondContact O-N 3.49Å; K417-L421 HydrophobicContact CB-CD1 4.18Å; K417-L421 HydrophobicContact CG-CD1 4.06Å; K417-L421 WeakPolarHBondContact O-CB 3.29Å
418V88.5Confident86.9Confident52 Ų5257.5 Ų57.532%0.31529%0.291SS..Iπ-helixtrans-96.3-36.8-171.5178.60000112.6L405 I406 L414 H415 Y416 P422L405-V418 HydrophobicContact CB-CG1 3.86Å; L405-V418 HydrophobicContact CD1-CG1 3.98Å; L405-V418 HydrophobicContact CG-CG1 4.33Å; I406-V418 HydrophobicContact CG1-CB 4.39Å; I406-V418 HydrophobicContact CG1-CG2 4.38Å; L414-V418 WeakPolarHBondContact O-CB 3.4Å; L414-V418 WeakPolarHBondContact O-CG2 3.21Å; L414-V418 PolarHBondContact O-N 2.58Å; H415-V418 PolarHBondContact O-N 3.02Å; Y416-V418 PolarHBondContact O-N 2.82Å; V418-P422 WeakPolarHBondContact O-CD 2.99Å; V418-P422 VanDerWaalsContact O-CG 3.31Å; V418-P422 WeakPolarHBondContact O-CG 3.04Å
419D91.3Very high86.9Confident3 Ų356.2 Ų56.22%0.01628%0.283CS..Iπ-helixtrans-105.6-34.4-171-60.3-49.9000112.9N404 L405 I406 H415 Y433N404-D419 WeakPolarHBondContact CB-OD2 2.96Å; L405-D419 PolarHBondContact N-OD1 3.35Å; L405-D419 PolarHBondContact N-OD2 3.21Å; I406-D419 PolarHBondContact N-OD2 3.06Å; I406-D419 VanDerWaalsContact N-OD2 3.12Å; H415-D419 IonicContact CE1-OD2 3.04Å; H415-D419 IonicContact CG-OD2 2.61Å; H415-D419 IonicContact ND1-OD2 2.72Å; H415-D419 PolarHBondContact ND1-OD2 3.29Å; H415-D419 WeakPolarHBondContact O-CA 3.44Å; H415-D419 VanDerWaalsContact O-CB 3.31Å; H415-D419 WeakPolarHBondContact O-CB 3.49Å; H415-D419 PolarHBondContact O-N 3.39Å; D419-Y433 PolarHBondContact O-OH 3.14Å
420V90.4Very high87.2Confident19 Ų1953.5 Ų53.512%0.11527%0.27CS..Iπ-helixtrans-95.9-44.8-176.3-1760000112.6Y361 H415 Y416 P422 W423 I424Y361-V420 HydrophobicContact CD1-CG1 4.3Å; Y361-V420 HydrophobicContact CE1-CG1 3.66Å; Y361-V420 HydrophobicContact CE2-CG1 4.03Å; H415-V420 PolarHBondContact O-N 3.15Å; Y416-V420 HydrophobicContact CD2-CB 3.91Å; Y416-V420 HydrophobicContact CD2-CG1 3.93Å; Y416-V420 HydrophobicContact CD2-CG2 4.37Å; Y416-V420 HydrophobicContact CE2-CB 4.35Å; Y416-V420 HydrophobicContact CE2-CG1 3.93Å; Y416-V420 WeakPolarHBondContact O-CB 3.48Å; Y416-V420 PolarHBondContact O-N 3.27Å; V420-P422 VanDerWaalsContact C-CD 3.47Å; V420-P422 VanDerWaalsContact C-N 3.32Å; V420-W423 VanDerWaalsContact O-CB 3.22Å; V420-W423 WeakPolarHBondContact O-CB 3.36Å; V420-W423 PolarHBondContact O-N 3.34Å; V420-I424 HydrophobicContact CG1-CD1 4.08Å; V420-I424 HydrophobicContact CG1-CG1 4.49Å; V420-I424 PolarHBondContact O-N 2.86Å
421L89Confident87.5Confident55 Ų5548.9 Ų48.929%0.28825%0.251SS..Hα-helixtrans-55-40.5-179.8-77.1-175.3000113.4Y416 K417 W423 I424 I425Y416-L421 HydrophobicContact CD1-CD2 4.25Å; Y416-L421 HydrophobicContact CD1-CG 4.15Å; Y416-L421 HydrophobicContact CE1-CD2 3.51Å; Y416-L421 HydrophobicContact CE1-CG 3.92Å; Y416-L421 WeakPolarHBondContact O-CG 3.17Å; Y416-L421 PolarHBondContact O-N 2.88Å; K417-L421 HydrophobicContact CB-CD1 4.18Å; K417-L421 HydrophobicContact CG-CD1 4.06Å; K417-L421 WeakPolarHBondContact O-CB 3.29Å; L421-W423 PolarHBondContact O-N 3.26Å; L421-I424 HydrophobicContact CD2-CD1 4.26Å; L421-I424 CarbonylContact O-C 3.54Å; L421-I424 WeakPolarHBondContact O-CA 3.42Å; L421-I424 WeakPolarHBondContact O-CB 3.05Å; L421-I424 PolarHBondContact O-N 2.83Å; L421-I425 VanDerWaalsContact O-CG1 3.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.36Å; L421-I425 PolarHBondContact O-N 2.84Å
422P89Confident87.8Confident6 Ų650.2 Ų50.24%0.03925%0.252CS..Hα-helixtrans-63.5-31178.4-23.634.6000114.3W300 V418 V420 C426 Y433W300-P422 HydrophobicContact CD2-CB 3.71Å; W300-P422 HydrophobicContact CE3-CB 4.2Å; W300-P422 HydrophobicContact CG-CB 4.21Å; W300-P422 HydrophobicContact CH2-CB 3.94Å; W300-P422 HydrophobicContact CZ2-CB 3.42Å; W300-P422 VanDerWaalsContact CZ2-CB 3.42Å; W300-P422 HydrophobicContact CZ2-CG 4.05Å; W300-P422 HydrophobicContact CZ3-CB 4.31Å; V418-P422 WeakPolarHBondContact O-CD 2.99Å; V418-P422 VanDerWaalsContact O-CG 3.31Å; V418-P422 WeakPolarHBondContact O-CG 3.04Å; V420-P422 VanDerWaalsContact C-CD 3.47Å; V420-P422 VanDerWaalsContact C-N 3.32Å; P422-C426 PolarHBondContact O-N 3.09Å; P422-C426 VanDerWaalsContact O-N 3.16Å; P422-C426 PolarHBondContact O-SG 2.03Å; P422-Y433 HydrophobicContact CB-CD2 4.29Å; P422-Y433 HydrophobicContact CB-CE2 4.09Å
423W88.5Confident88.1Confident41 Ų4147.5 Ų47.516%0.15523%0.228CC..Hα-helixtrans-58.2-54.6169-167.7130.4000108.8Y361 V420 L421 I425 C426 K427 G428 Y433Y361-W423 HydrophobicContact CD1-CG 4.49Å; V420-W423 VanDerWaalsContact O-CB 3.22Å; V420-W423 WeakPolarHBondContact O-CB 3.36Å; V420-W423 PolarHBondContact O-N 3.34Å; L421-W423 PolarHBondContact O-N 3.26Å; W423-I425 VanDerWaalsContact C-N 3.28Å; W423-I425 PolarHBondContact O-N 2.91Å; W423-C426 CarbonylContact O-C 3.58Å; W423-C426 WeakPolarHBondContact O-CA 2.98Å; W423-C426 WeakPolarHBondContact O-CB 3.25Å; W423-C426 PolarHBondContact O-N 3.38Å; W423-K427 PolarHBondContact O-N 3.41Å; W423-G428 VanDerWaalsContact CH2-O 3.22Å; W423-G428 WeakPolarHBondContact CH2-O 3.36Å; W423-G428 WeakPolarHBondContact CZ2-O 3.5Å; W423-Y433 HydrophobicContact CB-CD2 4.07Å; W423-Y433 HydrophobicContact CB-CE2 4.11Å
424I88.3Confident88.4Confident67 Ų6743.4 Ų43.434%0.34421%0.209SC..Hα-helixtrans-59.8-38.9-176.6-59.8172.8000111.3Y361 Y416 V420 L421 C426 K427Y361-I424 HydrophobicContact CE1-CD1 4.49Å; Y361-I424 HydrophobicContact CE1-CG1 4.28Å; Y416-I424 HydrophobicContact CE2-CD1 4.23Å; V420-I424 HydrophobicContact CG1-CD1 4.08Å; V420-I424 HydrophobicContact CG1-CG1 4.49Å; V420-I424 PolarHBondContact O-N 2.86Å; L421-I424 HydrophobicContact CD2-CD1 4.26Å; L421-I424 CarbonylContact O-C 3.54Å; L421-I424 WeakPolarHBondContact O-CA 3.42Å; L421-I424 WeakPolarHBondContact O-CB 3.05Å; L421-I424 PolarHBondContact O-N 2.83Å; I424-C426 PolarHBondContact O-N 2.8Å; I424-K427 WeakPolarHBondContact O-CA 3.38Å; I424-K427 PolarHBondContact O-N 2.85Å
425I87.1Confident88.8Confident65 Ų6547 Ų4733%0.33322%0.224SC..Hα-helixtrans-61.8-34.6175.8-70.4166.8000111S296 C297 L421 W423 K427S296-I425 WeakPolarHBondContact O-CG2 3.49Å; C297-I425 HydrophobicContact CB-CG2 4.21Å; L421-I425 VanDerWaalsContact O-CG1 3.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.36Å; L421-I425 PolarHBondContact O-N 2.84Å; W423-I425 VanDerWaalsContact C-N 3.28Å; W423-I425 PolarHBondContact O-N 2.91Å; I425-K427 PolarHBondContact O-N 2.91Å
426C86.3Confident89Confident4 Ų447.6 Ų47.63%0.02723%0.232CC..THydrogen-bonded Turntrans-7912.6171.5-59.90000113.7C297 P422 W423 I424 G428 D429C297-C426 HydrophobicContact CB-CB 3.81Å; C297-C426 WeakPolarHBondContact CB-SG 3.29Å; C297-C426 VanDerWaalsContact SG-CA 3.55Å; C297-C426 WeakPolarHBondContact SG-CB 3.29Å; C297-C426 CovalentContact SG-SG 2.04Å; C297-C426 PolarHBondContact SG-SG 2.88Å; P422-C426 PolarHBondContact O-N 3.09Å; P422-C426 VanDerWaalsContact O-N 3.16Å; P422-C426 PolarHBondContact O-SG 2.03Å; W423-C426 CarbonylContact O-C 3.58Å; W423-C426 WeakPolarHBondContact O-CA 2.98Å; W423-C426 WeakPolarHBondContact O-CB 3.25Å; W423-C426 PolarHBondContact O-N 3.38Å; I424-C426 PolarHBondContact O-N 2.8Å; C426-G428 PolarHBondContact O-N 3.37Å; C426-D429 WeakPolarHBondContact O-CB 3.27Å; C426-D429 PolarHBondContact O-N 3.32Å
427K85.2Confident89.2Confident156 Ų15643.3 Ų43.368%0.67822%0.215SC*.THydrogen-bonded Turntrans57.6-8.1172.4-63.3-177.2-179.4174.90117.6W423 I424 I425W423-K427 PolarHBondContact O-N 3.41Å; I424-K427 WeakPolarHBondContact O-CA 3.38Å; I424-K427 PolarHBondContact O-N 2.85Å; I425-K427 PolarHBondContact O-N 2.91Å
428G80.1Confident89.5Confident19 Ų1941.7 Ų41.720%0.19622%0.215CC..THydrogen-bonded Turntrans154.9-41.2-155.300000113W423 C426 W430W423-G428 VanDerWaalsContact CH2-O 3.22Å; W423-G428 WeakPolarHBondContact CH2-O 3.36Å; W423-G428 WeakPolarHBondContact CZ2-O 3.5Å; C426-G428 PolarHBondContact O-N 3.37Å; G428-W430 VanDerWaalsContact C-N 3.31Å; G428-W430 PolarHBondContact O-N 2.01Å
429D89.2Confident89.8Confident9 Ų940.7 Ų40.75%0.04821%0.21CC..  trans-81.484.2-159.8-168.1-10.4000110.4C426 S431 R432 Y433C426-D429 WeakPolarHBondContact O-CB 3.27Å; C426-D429 PolarHBondContact O-N 3.32Å; D429-S431 PolarHBondContact O-N 2.04Å; D429-S431 WeakPolarHBondContact OD1-CA 3.48Å; D429-S431 VanDerWaalsContact OD1-CB 3.24Å; D429-S431 WeakPolarHBondContact OD1-CB 3.23Å; D429-S431 PolarHBondContact OD1-N 2.99Å; D429-S431 PolarHBondContact OD1-OG 3.23Å; D429-R432 HydrophobicContact CB-CB 4.47Å; D429-R432 PolarHBondContact O-N 2.78Å; D429-R432 PolarHBondContact OD1-N 3.01Å; D429-R432 WeakPolarHBondContact OD2-CD 3.05Å; D429-R432 VanDerWaalsContact OD2-CG 3.25Å; D429-R432 WeakPolarHBondContact OD2-CG 3.09Å; D429-Y433 PolarHBondContact O-N 2.87Å
430W90.9Very high90Very high13 Ų1342.2 Ų42.25%0.04922%0.218CC..Hα-helixtrans-57.5-25.1173.667-94.3000112K398 G428 N434 Y454 Q457 F458K398-W430 HydrophobicContact CB-CB 4.41Å; K398-W430 VanDerWaalsContact CB-CD1 3.46Å; K398-W430 HydrophobicContact CB-CD2 4.02Å; K398-W430 HydrophobicContact CB-CG 3.7Å; G428-W430 VanDerWaalsContact C-N 3.31Å; G428-W430 PolarHBondContact O-N 2.01Å; W430-N434 VanDerWaalsContact O-CB 3.22Å; W430-N434 WeakPolarHBondContact O-CB 3.37Å; W430-N434 PolarHBondContact O-N 3.32Å; W430-Y454 HydrophobicContact CH2-CD2 4.07Å; W430-Y454 AromaticContact CH2-CE2 3.47Å; W430-Y454 HydrophobicContact CH2-CE2 3.47Å; W430-Y454 VanDerWaalsContact CH2-CE2 3.47Å; W430-Y454 AromaticContact CZ3-CE2 3.84Å; W430-Y454 HydrophobicContact CZ3-CE2 3.84Å; W430-Q457 HydrophobicContact CZ2-CB 3.8Å; W430-Q457 PolarHBondContact NE1-O 3.42Å; W430-F458 HydrophobicContact CH2-CB 4.27Å; W430-F458 HydrophobicContact CH2-CD2 4.24Å; W430-F458 HydrophobicContact CZ2-CB 4.21Å
431S92.6Very high90.2Very high15 Ų1543.5 Ų43.511%0.10522%0.224CC..Hα-helixtrans-69.7-44.5-175.880.30000111.1D429 N434 E435 F458D429-S431 PolarHBondContact O-N 2.04Å; D429-S431 WeakPolarHBondContact OD1-CA 3.48Å; D429-S431 VanDerWaalsContact OD1-CB 3.24Å; D429-S431 WeakPolarHBondContact OD1-CB 3.23Å; D429-S431 PolarHBondContact OD1-N 2.99Å; D429-S431 PolarHBondContact OD1-OG 3.23Å; S431-N434 PolarHBondContact O-N 2.93Å; S431-E435 PolarHBondContact O-N 3.3Å; S431-E435 VanDerWaalsContact O-N 3.09Å; S431-F458 VanDerWaalsContact CB-CE2 3.49Å
432R91.3Very high90.3Very high59 Ų5942.5 Ų42.522%0.22323%0.228CC..Hα-helixtrans-68.9-40.6174.5-73.3179.170-165.42.2112.4D295 M301 D429 N434 E435 A436D295-R432 IonicContact OD2-CZ 2.71Å; D295-R432 IonicContact OD2-NH1 3.88Å; D295-R432 PolarHBondContact OD2-NH1 2.77Å; D295-R432 IonicContact OD2-NH2 3.76Å; D295-R432 PolarHBondContact OD2-NH2 2.69Å; M301-R432 HydrophobicContact CE-CB 4.06Å; M301-R432 HydrophobicContact CE-CG 4.39Å; M301-R432 WeakPolarHBondContact CE-O 3.37Å; M301-R432 HydrophobicContact SD-CB 3.66Å; M301-R432 HydrophobicContact SD-CG 4.14Å; D429-R432 HydrophobicContact CB-CB 4.47Å; D429-R432 PolarHBondContact O-N 2.78Å; D429-R432 PolarHBondContact OD1-N 3.01Å; D429-R432 WeakPolarHBondContact OD2-CD 3.05Å; D429-R432 VanDerWaalsContact OD2-CG 3.25Å; D429-R432 WeakPolarHBondContact OD2-CG 3.09Å; R432-N434 PolarHBondContact O-N 3.08Å; R432-E435 PolarHBondContact O-N 2.87Å; R432-A436 PolarHBondContact O-N 3.47Å
433Y91.3Very high90.5Very high6 Ų645.2 Ų45.22%0.02424%0.239CC..Hα-helixtrans-59.3-47.7173.3178.9-91.7000111.5W300 T402 D419 P422 W423 D429 E435 A436 R437W300-Y433 AromaticContact CH2-CD2 3.71Å; W300-Y433 HydrophobicContact CH2-CD2 3.71Å; W300-Y433 HydrophobicContact CH2-CE2 4.12Å; W300-Y433 HydrophobicContact CH2-CG 4.44Å; W300-Y433 HydrophobicContact CZ2-CD2 4.48Å; W300-Y433 HydrophobicContact CZ3-CD2 4.18Å; T402-Y433 HydrophobicContact CG2-CE1 3.93Å; D419-Y433 PolarHBondContact O-OH 3.14Å; P422-Y433 HydrophobicContact CB-CD2 4.29Å; P422-Y433 HydrophobicContact CB-CE2 4.09Å; W423-Y433 HydrophobicContact CB-CD2 4.07Å; W423-Y433 HydrophobicContact CB-CE2 4.11Å; D429-Y433 PolarHBondContact O-N 2.87Å; Y433-E435 VanDerWaalsContact C-N 3.29Å; Y433-E435 PolarHBondContact O-N 2.8Å; Y433-A436 PolarHBondContact O-N 2.88Å; Y433-R437 HydrophobicContact CD1-CB 4.24Å; Y433-R437 HydrophobicContact CE1-CB 3.83Å; Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 HydrophobicContact CE2-CG 4.3Å; Y433-R437 WeakPolarHBondContact O-CB 3.33Å; Y433-R437 PolarHBondContact O-N 3.46Å
434N93.6Very high90.8Very high17 Ų1752.2 Ų52.29%0.09127%0.271CS..Hα-helixtrans-68.2-25.8-178.5-76.3-2000113.1G397 W430 S431 R432 A436 R437 P438G397-N434 PolarHBondContact O-ND2 3.07Å; W430-N434 VanDerWaalsContact O-CB 3.22Å; W430-N434 WeakPolarHBondContact O-CB 3.37Å; W430-N434 PolarHBondContact O-N 3.32Å; S431-N434 PolarHBondContact O-N 2.93Å; R432-N434 PolarHBondContact O-N 3.08Å; N434-A436 VanDerWaalsContact C-N 3.34Å; N434-R437 WeakPolarHBondContact CA-O 3.47Å; N434-R437 CarbonylContact O-C 2.82Å; N434-R437 PolarHBondContact O-N 3.45Å; N434-P438 WeakPolarHBondContact O-CA 3.39Å; N434-P438 VanDerWaalsContact O-N 3.09Å
435E91.7Very high91.1Very high150 Ų15049.7 Ų49.770%0.70126%0.259SS*.Hα-helixtrans-62.6-42.4172.1-173.7179.4174.200111.4M301 S431 R432 Y433M301-E435 HydrophobicContact CE-CB 4.04Å; M301-E435 HydrophobicContact CE-CG 4.26Å; M301-E435 WeakPolarHBondContact CE-OE2 3.27Å; S431-E435 PolarHBondContact O-N 3.3Å; S431-E435 VanDerWaalsContact O-N 3.09Å; R432-E435 PolarHBondContact O-N 2.87Å; Y433-E435 VanDerWaalsContact C-N 3.29Å; Y433-E435 PolarHBondContact O-N 2.8Å
436A90.2Very high91.5Very high28 Ų2851.4 Ų51.423%0.23127%0.273CS..Hα-helixtrans-81.5-26.7175.600000113.2W300 M301 R432 Y433 N434W300-A436 HydrophobicContact CH2-CB 3.44Å; W300-A436 VanDerWaalsContact CH2-CB 3.44Å; W300-A436 HydrophobicContact CZ2-CB 4.15Å; W300-A436 HydrophobicContact CZ3-CB 3.63Å; M301-A436 HydrophobicContact CG-CB 4.41Å; R432-A436 PolarHBondContact O-N 3.47Å; Y433-A436 PolarHBondContact O-N 2.88Å; N434-A436 VanDerWaalsContact C-N 3.34Å
437R91Very high91.9Very high19 Ų1956.8 Ų56.87%0.07230%0.298CS..SBendtrans-130.478.2-178.3-67.9-66.4-172.1-135.9-12.1110.8W300 M312 T402 Y433 N434W300-R437 HydrophobicContact CH2-CG 4.12Å; W300-R437 HydrophobicContact CZ2-CG 4.21Å; M312-R437 PolarHBondContact SD-NH1 3.16Å; T402-R437 WeakPolarHBondContact CG2-O 3.49Å; Y433-R437 HydrophobicContact CD1-CB 4.24Å; Y433-R437 HydrophobicContact CE1-CB 3.83Å; Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 HydrophobicContact CE2-CG 4.3Å; Y433-R437 WeakPolarHBondContact O-CB 3.33Å; Y433-R437 PolarHBondContact O-N 3.46Å; N434-R437 WeakPolarHBondContact CA-O 3.47Å; N434-R437 CarbonylContact O-C 2.82Å; N434-R437 PolarHBondContact O-N 3.45Å
438P93.8Very high92.4Very high73 Ų7350.6 Ų50.647%0.47427%0.274SS..  trans-66.2138.9-175.724.7-33.6000111.9P403 N434P403-P438 WeakPolarHBondContact CD-O 3.29Å; N434-P438 WeakPolarHBondContact O-CA 3.39Å; N434-P438 VanDerWaalsContact O-N 3.09Å
439P95.6Very high93.1Very high30 Ų3050.6 Ų50.620%0.19527%0.27CS..  trans-58152.2166.9-24.234.3000112.1A400 G401 T402A400-P439 HydrophobicContact CB-CB 3.81Å; A400-P439 HydrophobicContact CB-CG 3.49Å; A400-P439 VanDerWaalsContact CB-CG 3.49Å; G401-P439 WeakPolarHBondContact O-CA 2.87Å; G401-P439 WeakPolarHBondContact O-CB 3.31Å; T402-P439 HydrophobicContact CG2-CG 4.22Å
440N94.9Very high93.4Very high35 Ų3552.6 Ų52.619%0.18729%0.285CS..  trans-90.2112179.7-176.8-68.4000110.9S321 C322 Q383 G442S321-N440 VanDerWaalsContact CA-OD1 3.24Å; S321-N440 WeakPolarHBondContact CA-OD1 3.35Å; C322-N440 PolarHBondContact N-OD1 3.36Å; Q383-N440 VanDerWaalsContact NE2-CB 3.28Å; N440-G442 PolarHBondContact OD1-N 2.99Å; N440-G442 VanDerWaalsContact OD1-N 3.17Å
441N94.5Very high93.6Very high46 Ų4656.8 Ų56.825%0.24631%0.309CS..  trans-119.243.4166.4-167.317.8000111.2T395 Q443 K444 C445T395-N441 HydrophobicContact CG2-CB 4.25Å; N441-Q443 PolarHBondContact O-N 3.3Å; N441-K444 PolarHBondContact O-N 3.1Å; N441-C445 PolarHBondContact ND2-O 3.49Å; N441-C445 WeakPolarHBondContact OD1-CB 3.29Å; N441-C445 PolarHBondContact OD1-N 3Å
442G91.6Very high93.8Very high35 Ų3563.9 Ų63.936%0.36134%0.34SS..THydrogen-bonded Turntrans-60.9-29.7-175.300000113.6I341 N440 K444I341-G442 WeakPolarHBondContact CD1-O 3.36Å; N440-G442 PolarHBondContact OD1-N 2.99Å; N440-G442 VanDerWaalsContact OD1-N 3.17Å; G442-K444 VanDerWaalsContact C-N 3.28Å; G442-K444 PolarHBondContact O-N 3.32Å
443Q92.8Very high93.9Very high62 Ų6265.1 Ų65.129%0.2935%0.351SS..THydrogen-bonded Turntrans-82.32177.8-57.8-160.218.300114.2I341 N441 C445I341-Q443 HydrophobicContact CD1-CG 4.34Å; N441-Q443 PolarHBondContact O-N 3.3Å; Q443-C445 VanDerWaalsContact C-N 3.33Å; Q443-C445 PolarHBondContact O-N 2.95Å
444K94.5Very high94.1Very high189 Ų18968 Ų6882%0.82236%0.362SS*.  trans54.946.8-178.3-54.9-179.7179.7-1780112.6N441 G442N441-K444 PolarHBondContact O-N 3.1Å; G442-K444 VanDerWaalsContact C-N 3.28Å; G442-K444 PolarHBondContact O-N 3.32Å
445C94.9Very high94.1Very high13 Ų1371.4 Ų71.49%0.08838%0.38CS..PPolyproline II helixtrans-64.7158172.7-50.60000110.3C324 L393 T395 N441 Q443 E447C324-C445 WeakPolarHBondContact CA-SG 3.44Å; C324-C445 HydrophobicContact CB-CB 3.74Å; C324-C445 WeakPolarHBondContact CB-SG 3.48Å; C324-C445 VanDerWaalsContact SG-CA 3.58Å; C324-C445 WeakPolarHBondContact SG-CB 3.38Å; C324-C445 CovalentContact SG-SG 2.04Å; C324-C445 PolarHBondContact SG-SG 3.4Å; L393-C445 HydrophobicContact CD2-CB 4.2Å; T395-C445 HydrophobicContact CG2-CB 4.2Å; N441-C445 PolarHBondContact ND2-O 3.49Å; N441-C445 WeakPolarHBondContact OD1-CB 3.29Å; N441-C445 PolarHBondContact OD1-N 3Å; Q443-C445 VanDerWaalsContact C-N 3.33Å; Q443-C445 PolarHBondContact O-N 2.95Å; C445-E447 PolarHBondContact O-N 3.02Å
446T95.7Very high94.2Very high102 Ų10270.2 Ų70.263%0.62637%0.372SS*.PPolyproline II helixtrans-52.6132.9173.4-50.60000110.6S448T446-S448 PolarHBondContact O-N 2.92Å
447E94.9Very high94.4Very high117 Ų11770 Ų7055%0.54737%0.366SS..PPolyproline II helixtrans-65.8126.9-178.8-61.5-168.5178.300111.1T395 R396 C445T395-E447 WeakPolarHBondContact OG1-CA 3.35Å; R396-E447 IonicContact CZ-OE2 2.73Å; R396-E447 VanDerWaalsContact CZ-OE2 3.23Å; R396-E447 IonicContact NE-OE2 3.09Å; R396-E447 IonicContact NH1-OE2 3.69Å; R396-E447 PolarHBondContact NH1-OE2 3.42Å; R396-E447 IonicContact NH2-OE2 3.83Å; C445-E447 PolarHBondContact O-N 3.02Å
448S94.8Very high94.4Very high25 Ų2572.3 Ų72.318%0.17538%0.377CS..SBendtrans-140.5130.1178.7-179.70000109.5T395 R396 T446T395-S448 PolarHBondContact N-O 2.97Å; T395-S448 PolarHBondContact OG1-N 3.47Å; T395-S448 PolarHBondContact OG1-O 2.96Å; R396-S448 PolarHBondContact N-O 2.99Å; R396-S448 VanDerWaalsContact N-O 3.16Å; T446-S448 PolarHBondContact O-N 2.92Å
449P95.2Very high94.2Very high19 Ų1974.3 Ų74.312%0.12338%0.38CS..SBendcis-76.1178.43.134.7-39.2000113.6R396 D453R396-P449 PolarHBondContact NE-O 3.37Å; R396-P449 VanDerWaalsContact NE-O 3.1Å; R396-P449 PolarHBondContact NH2-O 3.12Å; R396-P449 WeakPolarHBondContact O-CD 3.24Å; P449-D453 HydrophobicContact CB-CB 3.92Å; P449-D453 HydrophobicContact CG-CB 4.43Å
450S95.3Very high93.9Very high51 Ų5176.2 Ų76.236%0.35739%0.386SS..  trans-57.6161.2176.476.10000112.3R396 E452 D453 Y454R396-S450 PolarHBondContact NH2-O 3.49Å; S450-E452 VanDerWaalsContact C-N 3.28Å; S450-E452 PolarHBondContact O-N 3.43Å; S450-D453 PolarHBondContact O-N 2.89Å; S450-D453 WeakPolarHBondContact OG-CB 3.45Å; S450-D453 PolarHBondContact OG-N 2.98Å; S450-D453 PolarHBondContact OG-OD2 3.03Å; S450-Y454 VanDerWaalsContact O-CB 3.25Å; S450-Y454 WeakPolarHBondContact O-CB 3.4Å; S450-Y454 PolarHBondContact O-N 3.32Å
451D95.7Very high93.4Very high102 Ų10274.8 Ų74.855%0.54538%0.38SS..Hα-helixtrans-60-40.6-179.9-73.2-26.5000111.8R396 Y454 I455R396-D451 IonicContact CZ-OD1 3.05Å; R396-D451 IonicContact NH1-OD1 3.99Å; R396-D451 PolarHBondContact NH1-OD1 2.99Å; R396-D451 VanDerWaalsContact NH2-N 3.14Å; R396-D451 IonicContact NH2-OD1 2.71Å; R396-D451 PolarHBondContact NH2-OD1 3.35Å; D451-Y454 PolarHBondContact O-N 2.92Å; D451-I455 WeakPolarHBondContact O-CB 3.45Å; D451-I455 WeakPolarHBondContact O-CD1 3.42Å; D451-I455 WeakPolarHBondContact O-CG1 3.35Å; D451-I455 PolarHBondContact O-N 3.4Å
452E95.8Very high92.4Very high164 Ų16481 Ų8177%0.76640%0.4SS*.Hα-helixtrans-63.2-48.7178.6-63.6-179.6-17800111.5S450 Y454 I455 K456S450-E452 VanDerWaalsContact C-N 3.28Å; S450-E452 PolarHBondContact O-N 3.43Å; E452-Y454 VanDerWaalsContact C-N 3.34Å; E452-Y454 PolarHBondContact O-N 2.99Å; E452-I455 PolarHBondContact O-N 2.98Å; E452-K456 PolarHBondContact O-N 3.39Å
453D94.7Very high91.3Very high84 Ų8487.1 Ų87.145%0.44942%0.419SS..Hα-helixtrans-65.5-38.8178.2-68.6-44.4000111.8P449 S450 K456 Q457P449-D453 HydrophobicContact CB-CB 3.92Å; P449-D453 HydrophobicContact CG-CB 4.43Å; S450-D453 PolarHBondContact O-N 2.89Å; S450-D453 WeakPolarHBondContact OG-CB 3.45Å; S450-D453 PolarHBondContact OG-N 2.98Å; S450-D453 PolarHBondContact OG-OD2 3.03Å; D453-K456 PolarHBondContact O-N 3.38Å; D453-Q457 WeakPolarHBondContact O-CB 3.45Å; D453-Q457 VanDerWaalsContact O-CG 3.26Å; D453-Q457 WeakPolarHBondContact O-CG 3.38Å; D453-Q457 PolarHBondContact O-N 3.03Å
454Y95.1Very high89.6Confident67 Ų6794.1 Ų94.126%0.26344%0.444SS..Hα-helixtrans-62.6-46.6177176.6-99.4000111.3R396 W430 S450 D451 E452 K456 Q457 F458R396-Y454 HydrophobicContact CB-CD2 4.11Å; R396-Y454 HydrophobicContact CB-CE2 3.94Å; R396-Y454 HydrophobicContact CG-CD2 3.73Å; R396-Y454 HydrophobicContact CG-CE2 4.07Å; R396-Y454 HydrophobicContact CG-CG 4.44Å; W430-Y454 HydrophobicContact CH2-CD2 4.07Å; W430-Y454 AromaticContact CH2-CE2 3.47Å; W430-Y454 HydrophobicContact CH2-CE2 3.47Å; W430-Y454 VanDerWaalsContact CH2-CE2 3.47Å; W430-Y454 AromaticContact CZ3-CE2 3.84Å; W430-Y454 HydrophobicContact CZ3-CE2 3.84Å; S450-Y454 VanDerWaalsContact O-CB 3.25Å; S450-Y454 WeakPolarHBondContact O-CB 3.4Å; S450-Y454 PolarHBondContact O-N 3.32Å; D451-Y454 PolarHBondContact O-N 2.92Å; E452-Y454 VanDerWaalsContact C-N 3.34Å; E452-Y454 PolarHBondContact O-N 2.99Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.43Å; Y454-Q457 PolarHBondContact O-N 2.97Å; Y454-F458 VanDerWaalsContact O-CB 3.31Å; Y454-F458 WeakPolarHBondContact O-CB 3.35Å; Y454-F458 PolarHBondContact O-N 3.28Å
455I94.2Very high89.4Confident89 Ų8989.4 Ų89.446%0.45643%0.425SS..Hα-helixtrans-61.7-42.5177.7-69.7164.6000110.4D451 E452 F458 Q459D451-I455 WeakPolarHBondContact O-CB 3.45Å; D451-I455 WeakPolarHBondContact O-CD1 3.42Å; D451-I455 WeakPolarHBondContact O-CG1 3.35Å; D451-I455 PolarHBondContact O-N 3.4Å; E452-I455 PolarHBondContact O-N 2.98Å; I455-F458 PolarHBondContact O-N 3.08Å; I455-Q459 WeakPolarHBondContact O-CG 3.43Å; I455-Q459 PolarHBondContact O-N 3.48Å
456K93.6Very high89.1Confident125 Ų12593.4 Ų93.454%0.54344%0.443SS..Hα-helixtrans-60.2-49.8175.5-176.4-177.4174.8-174.70111.6E452 D453 Y454 F458 Q459 E460E452-K456 PolarHBondContact O-N 3.39Å; D453-K456 PolarHBondContact O-N 3.38Å; Y454-K456 VanDerWaalsContact C-N 3.32Å; Y454-K456 PolarHBondContact O-N 3.43Å; K456-F458 PolarHBondContact O-N 3Å; K456-Q459 PolarHBondContact O-N 3.49Å; K456-E460 VanDerWaalsContact CE-OE1 3.32Å; K456-E460 WeakPolarHBondContact CE-OE1 3.49Å; K456-E460 WeakPolarHBondContact O-CG 3.34Å; K456-E460 PolarHBondContact O-N 3.38Å
457Q92.9Very high88.7Confident22 Ų2292.9 Ų92.910%0.10343%0.433CS..Hα-helixtrans-59.5-35176.5-71.6176.724.500112.3K398 W430 D453 Y454 A461K398-Q457 HydrophobicContact CD-CG 4.3Å; W430-Q457 HydrophobicContact CZ2-CB 3.8Å; W430-Q457 PolarHBondContact NE1-O 3.42Å; D453-Q457 WeakPolarHBondContact O-CB 3.45Å; D453-Q457 VanDerWaalsContact O-CG 3.26Å; D453-Q457 WeakPolarHBondContact O-CG 3.38Å; D453-Q457 PolarHBondContact O-N 3.03Å; Y454-Q457 PolarHBondContact O-N 2.97Å; Q457-A461 PolarHBondContact O-N 3.43Å; Q457-A461 VanDerWaalsContact O-N 3.13Å
458F91.8Very high88.4Confident69 Ų6991.5 Ų91.530%0.30343%0.426SS..Hα-helixtrans-72.7-38.9-179.8-178-92.8000111.7W430 S431 Y454 I455 K456 A461 R462W430-F458 HydrophobicContact CH2-CB 4.27Å; W430-F458 HydrophobicContact CH2-CD2 4.24Å; W430-F458 HydrophobicContact CZ2-CB 4.21Å; S431-F458 VanDerWaalsContact CB-CE2 3.49Å; Y454-F458 VanDerWaalsContact O-CB 3.31Å; Y454-F458 WeakPolarHBondContact O-CB 3.35Å; Y454-F458 PolarHBondContact O-N 3.28Å; I455-F458 PolarHBondContact O-N 3.08Å; K456-F458 PolarHBondContact O-N 3Å; F458-A461 PolarHBondContact O-N 3.42Å; F458-R462 HydrophobicContact CE1-CG 4.48Å; F458-R462 PolarHBondContact O-N 3.13Å
459Q90Very high88Confident115 Ų11595.7 Ų95.754%0.53744%0.442SS..Hα-helixtrans-63.9-47.3172.8-72.1173.5-3.200111I455 K456 A461 R462I455-Q459 WeakPolarHBondContact O-CG 3.43Å; I455-Q459 PolarHBondContact O-N 3.48Å; K456-Q459 PolarHBondContact O-N 3.49Å; Q459-A461 PolarHBondContact O-N 3.04Å; Q459-R462 PolarHBondContact O-N 3.04Å; Q459-R462 VanDerWaalsContact O-N 3.15Å
460E88.8Confident87.5Confident69 Ų69100.8 Ų100.832%0.32246%0.463SS..Hα-helixtrans-54.5-38.7174.9-73171.9-171.800112K398 K456 R462 Y464K398-E460 IonicContact NZ-OE2 2.78Å; K398-E460 PolarHBondContact NZ-OE2 3.43Å; K456-E460 VanDerWaalsContact CE-OE1 3.32Å; K456-E460 WeakPolarHBondContact CE-OE1 3.49Å; K456-E460 WeakPolarHBondContact O-CG 3.34Å; K456-E460 PolarHBondContact O-N 3.38Å; E460-R462 VanDerWaalsContact C-N 3.33Å; E460-R462 PolarHBondContact O-N 3.02Å; E460-Y464 VanDerWaalsContact O-CD2 3.29Å; E460-Y464 WeakPolarHBondContact O-CD2 3.4Å
461A85.6Confident86.9Confident6 Ų6104.4 Ų104.45%0.0547%0.471CS..Hα-helixtrans-67.6-31.2-178.100000113.8Q457 F458 Q459 E463Q457-A461 PolarHBondContact O-N 3.43Å; Q457-A461 VanDerWaalsContact O-N 3.13Å; F458-A461 PolarHBondContact O-N 3.42Å; Q459-A461 PolarHBondContact O-N 3.04Å; A461-E463 VanDerWaalsContact C-N 3.33Å
462R73.1Confident86.3Confident177 Ų177104.5 Ų104.567%0.66847%0.465SS*.THydrogen-bonded Turntrans-83.5-9.3-176.1-70.5-175.563.8178.70.4113.9F458 Q459 E460 Y464F458-R462 HydrophobicContact CE1-CG 4.48Å; F458-R462 PolarHBondContact O-N 3.13Å; Q459-R462 PolarHBondContact O-N 3.04Å; Q459-R462 VanDerWaalsContact O-N 3.15Å; E460-R462 VanDerWaalsContact C-N 3.33Å; E460-R462 PolarHBondContact O-N 3.02Å; R462-Y464 VanDerWaalsContact C-N 3.31Å
463E67.6Low85.5Confident163 Ų16399.6 Ų99.676%0.76244%0.44SS*.THydrogen-bonded Turntrans-84.6-6.9178.6-68.3179.2173.400112.7A461A461-E463 VanDerWaalsContact C-N 3.33Å
464Y58.3Low84.6Confident209 Ų209101 Ų10182%0.8244%0.439SS*.  trans-109.60176.2-67-86.3000111.6E460 R462E460-Y464 VanDerWaalsContact O-CD2 3.29Å; E460-Y464 WeakPolarHBondContact O-CD2 3.4Å; R462-Y464 VanDerWaalsContact C-N 3.31Å

Retrieved 464 of 464 residues in 833.5 ms (Link to these results)