A0A087Y7K4_POEFO Loading...

Synaptotagmin XV

AlphaFold DB , UniProt , Accession A0A087Y7K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1C58.7Low74.7Confident145 Ų145101.2 Ų101.298%0.9861%0.613SS**  0-52.50-59.50000112.9D3C1-D3 VanDerWaalsContact C-N 3.35Å; C1-D3 PolarHBondContact O-N 3.11Å
2A58.9Low76Confident76 Ų76103.7 Ų103.763%0.62862%0.619SS**Hα-helixtrans-55.1-44.6-176.100000113.8Q4 A5 L6A2-Q4 PolarHBondContact O-N 3.14Å; A2-A5 WeakPolarHBondContact O-CB 3.31Å; A2-A5 PolarHBondContact O-N 3.34Å; A2-A5 VanDerWaalsContact O-N 3.1Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å
3D64.1Low77.1Confident122 Ų122100.4 Ų100.465%0.65261%0.605SS**Hα-helixtrans-66.8-35.7-171-43.1-78.4000113C1 A5 L6 L7C1-D3 VanDerWaalsContact C-N 3.35Å; C1-D3 PolarHBondContact O-N 3.11Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.34Å; D3-L6 PolarHBondContact O-N 3.19Å; D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 2.94Å
4Q69.4Low78.3Confident145 Ų14598.6 Ų98.668%0.67859%0.594SS**Hα-helixtrans-65.9-36.1174.3-75.4178.3-66.400112A2 L8A2-Q4 PolarHBondContact O-N 3.14Å; Q4-L8 WeakPolarHBondContact O-CB 3.27Å; Q4-L8 VanDerWaalsContact O-CG 3.27Å; Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.16Å
5A73.8Confident79.2Confident64 Ų6494.3 Ų94.353%0.52958%0.578SS.*Hα-helixtrans-67.8-40.217600000111.4A2 D3 A9A2-A5 WeakPolarHBondContact O-CB 3.31Å; A2-A5 PolarHBondContact O-N 3.34Å; A2-A5 VanDerWaalsContact O-N 3.1Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.34Å; A5-A9 WeakPolarHBondContact O-CB 3.16Å; A5-A9 PolarHBondContact O-N 3.13Å
6L77.8Confident80.2Confident119 Ų11995.9 Ų95.962%0.62358%0.581SS**Hα-helixtrans-63.3-45.4174.9-174.666.4000111.7A2 D3 A9 V10A2-L6 PolarHBondContact O-N 3.44Å; A2-L6 VanDerWaalsContact O-N 3.11Å; D3-L6 PolarHBondContact O-N 3.19Å; L6-A9 PolarHBondContact O-N 3.07Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.2Å
7L79.4Confident81Confident120 Ų12097.4 Ų97.463%0.62858%0.584SS**Hα-helixtrans-66-40.2-178.3-145.1157.7000111.4D3 V10 C11D3-L7 WeakPolarHBondContact O-CB 3.46Å; D3-L7 PolarHBondContact O-N 2.94Å; L7-V10 PolarHBondContact O-N 3.49Å; L7-C11 PolarHBondContact O-N 3.38Å; L7-C11 PolarHBondContact O-SG 3.5Å; L7-C11 VanDerWaalsContact O-SG 3.38Å
8L82.8Confident81.7Confident115 Ų11597.9 Ų97.960%0.60258%0.583SS**Hα-helixtrans-62.9-41.6171.5-72.4170.3000112.4Q4 V10 C11 L12Q4-L8 WeakPolarHBondContact O-CB 3.27Å; Q4-L8 VanDerWaalsContact O-CG 3.27Å; Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.16Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.99Å; L8-C11 PolarHBondContact O-N 3.17Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 2.95Å
9A83.1Confident82.4Confident54 Ų5498.1 Ų98.145%0.44658%0.58SS.*Hα-helixtrans-63.5-37.617700000112.7A5 L6 S13A5-A9 WeakPolarHBondContact O-CB 3.16Å; A5-A9 PolarHBondContact O-N 3.13Å; L6-A9 PolarHBondContact O-N 3.07Å; A9-S13 PolarHBondContact O-N 2.85Å; A9-S13 PolarHBondContact O-OG 3.19Å
10V87Confident83.1Confident76 Ų7696.7 Ų96.746%0.46157%0.572SS.*Hα-helixtrans-68.8-43.4174.2173.90000111.4L6 L7 L8 L12 S13 V14L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.2Å; L7-V10 PolarHBondContact O-N 3.49Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.99Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.1Å; V10-S13 PolarHBondContact O-N 2.78Å; V10-S13 PolarHBondContact O-OG 3.12Å; V10-S13 VanDerWaalsContact O-OG 3.07Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.07Å; V10-V14 PolarHBondContact O-N 2.72Å
11C86.5Confident83.6Confident77 Ų7796.8 Ų96.852%0.5257%0.569SS.*Hα-helixtrans-61.2-39.2175.3-71.60000112.4L7 L8 G15L7-C11 PolarHBondContact O-N 3.38Å; L7-C11 PolarHBondContact O-SG 3.5Å; L7-C11 VanDerWaalsContact O-SG 3.38Å; L8-C11 PolarHBondContact O-N 3.17Å; C11-G15 PolarHBondContact O-N 3.12Å
12L91.1Very high85.3Confident131 Ų13195 Ų9569%0.68655%0.55SS*.Hα-helixtrans-67.3-41.6176.4-73.1168.3000112.6L8 V10 G15 L16L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 2.95Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 2.98Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.9Å
13S90.2Very high87Confident61 Ų6196.1 Ų96.143%0.42755%0.545SS..Hα-helixtrans-70.1-39.1179.767.10000112.7A9 V10 L16 L17A9-S13 PolarHBondContact O-N 2.85Å; A9-S13 PolarHBondContact O-OG 3.19Å; V10-S13 PolarHBondContact O-N 2.78Å; V10-S13 PolarHBondContact O-OG 3.12Å; V10-S13 VanDerWaalsContact O-OG 3.07Å; S13-L16 PolarHBondContact O-N 2.88Å; S13-L17 PolarHBondContact O-N 2.71Å
14V92.9Very high88.5Confident75 Ų7595 Ų9546%0.45554%0.538SS..Hα-helixtrans-65.5-42172.8173.70000111.2V10 L16 L17 L18V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.07Å; V10-V14 PolarHBondContact O-N 2.72Å; V14-L16 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 2.69Å; V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.82Å
15G92.9Very high89.6Confident34 Ų3492.6 Ų92.635%0.35153%0.529SS..Hα-helixtrans-60.9-42.9174.900000112.9C11 L12 L18 L19C11-G15 PolarHBondContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 2.98Å; G15-L18 PolarHBondContact O-N 2.79Å; G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 2.98Å
16L94.7Very high90.5Very high120 Ų12093 Ų9363%0.62853%0.525SS*.Hα-helixtrans-63.4-43.1176-165.176000111.7L12 S13 V14 L19 V20L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.9Å; S13-L16 PolarHBondContact O-N 2.88Å; V14-L16 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 3.07Å; L16-V20 WeakPolarHBondContact O-CG2 3.23Å; L16-V20 PolarHBondContact O-N 3.44Å
17L94.3Very high91.2Very high121 Ų12192.3 Ų92.363%0.63452%0.52SS*.Hα-helixtrans-59.6-45.9176.2-99.9163.1000112.4S13 V14 L19 V20 L21S13-L17 PolarHBondContact O-N 2.71Å; V14-L17 PolarHBondContact O-N 2.69Å; L17-L19 PolarHBondContact O-N 3.39Å; L17-V20 PolarHBondContact O-N 2.87Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å
18L93.6Very high91.7Very high107 Ų10789.6 Ų89.656%0.5651%0.51SS*.Hα-helixtrans-62.2-41.9176.4-74.9166.6000111.9V14 G15 L21 L22V14-L18 HydrophobicContact CG1-CD1 4.19Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.82Å; G15-L18 PolarHBondContact O-N 2.79Å; L18-L21 PolarHBondContact O-N 2.97Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.11Å
19L95Very high91.7Very high101 Ų10188.1 Ų88.153%0.52951%0.509SS..Hα-helixtrans-66.1-43.2179.2-159.3159.7000111.4G15 L16 L17 L21 L22 L23G15-L19 WeakPolarHBondContact O-CB 3.43Å; G15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.07Å; L17-L19 PolarHBondContact O-N 3.39Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 3.25Å; L19-L23 HydrophobicContact CD2-CD1 3.69Å; L19-L23 HydrophobicContact CD2-CG 4.15Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.17Å
20V95.2Very high91.9Very high70 Ų7090.6 Ų90.642%0.42451%0.514SS..Hα-helixtrans-60.9-41.8172.8169.90000111.5L16 L17 L22 L23 I24L16-V20 WeakPolarHBondContact O-CG2 3.23Å; L16-V20 PolarHBondContact O-N 3.44Å; L17-V20 PolarHBondContact O-N 2.87Å; V20-L22 PolarHBondContact O-N 3.13Å; V20-L23 PolarHBondContact O-N 2.88Å; V20-I24 HydrophobicContact CG1-CD1 3.93Å; V20-I24 WeakPolarHBondContact O-CG1 3.41Å; V20-I24 PolarHBondContact O-N 2.66Å
21L94.3Very high91.6Very high99 Ų9995.9 Ų95.952%0.51853%0.525SS..Hα-helixtrans-66.8-36.6179.7-161.2149000112L17 L18 L19 I24 L25L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 2.97Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 2.8Å; L21-I24 PolarHBondContact O-N 2.77Å; L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CD2-CG 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.64Å
22L94.4Very high91.2Very high109 Ų109101.6 Ų101.657%0.57154%0.536SS*.Hα-helixtrans-66.4-37.3171-71.2169.3000112.8L18 L19 V20 L25 T26L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.25Å; V20-L22 PolarHBondContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 2.85Å; L22-T26 WeakPolarHBondContact O-CB 3.41Å; L22-T26 WeakPolarHBondContact O-CG2 3.36Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.16Å
23L95.2Very high90.6Very high99 Ų99102.2 Ų102.252%0.51853%0.533SS..Hα-helixtrans-65.9-38.5173.1-72.4172.7000111.8L19 V20 T26 M27L19-L23 HydrophobicContact CD2-CD1 3.69Å; L19-L23 HydrophobicContact CD2-CG 4.15Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 2.88Å; L23-T26 WeakPolarHBondContact CA-OG1 3.39Å; L23-T26 PolarHBondContact O-OG1 3.21Å; L23-T26 VanDerWaalsContact O-OG1 3.08Å; L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.37Å; L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.8Å
24I94.3Very high89.9Confident98 Ų98107.3 Ų107.350%0.50355%0.548SS..Hα-helixtrans-65-48173.9-68.2165.7000110.5V20 L21 T26 M27 C28V20-I24 HydrophobicContact CG1-CD1 3.93Å; V20-I24 WeakPolarHBondContact O-CG1 3.41Å; V20-I24 PolarHBondContact O-N 2.66Å; L21-I24 PolarHBondContact O-N 2.77Å; I24-T26 PolarHBondContact O-N 2.85Å; I24-M27 PolarHBondContact O-N 3.25Å; I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.02Å; I24-C28 PolarHBondContact O-SG 3.04Å
25L93.8Very high88.6Confident94 Ų94109.8 Ų109.849%0.49256%0.558SS.*Hα-helixtrans-60.4-45.2178.1-75.8172.8000112.4L21 L22 C28 C29L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CD2-CG 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.64Å; L22-L25 PolarHBondContact O-N 2.85Å; L25-C28 PolarHBondContact O-N 3.44Å; L25-C29 WeakPolarHBondContact O-CB 3.22Å; L25-C29 PolarHBondContact O-N 2.88Å; L25-C29 PolarHBondContact O-SG 2.9Å; L25-C29 VanDerWaalsContact O-SG 3.38Å
26T91.8Very high87.2Confident74 Ų74115.5 Ų115.545%0.45457%0.574SS.*Hα-helixtrans-65.3-41177.449.60000111.8L22 L23 I24 C28 C29 L30L22-T26 WeakPolarHBondContact O-CB 3.41Å; L22-T26 WeakPolarHBondContact O-CG2 3.36Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.16Å; L23-T26 WeakPolarHBondContact CA-OG1 3.39Å; L23-T26 PolarHBondContact O-OG1 3.21Å; L23-T26 VanDerWaalsContact O-OG1 3.08Å; I24-T26 PolarHBondContact O-N 2.85Å; T26-C28 PolarHBondContact O-N 3.01Å; T26-C29 PolarHBondContact O-N 2.92Å; T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 3.11Å
27M92.9Very high85.5Confident103 Ų103115.4 Ų115.451%0.50757%0.57SS.*Hα-helixtrans-65.1-36.5173.2-74.8-66.2-78.900113.1L23 I24 L30 R31L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.37Å; L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.42Å; L23-M27 PolarHBondContact O-N 2.8Å; I24-M27 PolarHBondContact O-N 3.25Å; M27-L30 PolarHBondContact O-N 2.8Å; M27-L30 HydrophobicContact SD-CD1 4.33Å; M27-R31 WeakPolarHBondContact O-CB 3.47Å; M27-R31 VanDerWaalsContact O-CG 3.3Å; M27-R31 WeakPolarHBondContact O-CG 3.5Å; M27-R31 PolarHBondContact O-N 2.82Å
28C90.3Very high83.3Confident64 Ų64111.4 Ų111.443%0.43256%0.558SS.*Hα-helixtrans-65.1-40.6171.6-79.10000112.2I24 L25 T26 R31 R32I24-C28 WeakPolarHBondContact O-CB 3.4Å; I24-C28 PolarHBondContact O-N 3.02Å; I24-C28 PolarHBondContact O-SG 3.04Å; L25-C28 PolarHBondContact O-N 3.44Å; T26-C28 PolarHBondContact O-N 3.01Å; C28-R31 PolarHBondContact O-N 2.96Å; C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 WeakPolarHBondContact O-CG 3.36Å; C28-R32 PolarHBondContact O-N 3.05Å
29C83.4Confident81.1Confident84 Ų84113.3 Ų113.357%0.56856%0.564SS**Hα-helixtrans-65.5-42.1174.2-74.50000112.3L25 T26 R32 K33L25-C29 WeakPolarHBondContact O-CB 3.22Å; L25-C29 PolarHBondContact O-N 2.88Å; L25-C29 PolarHBondContact O-SG 2.9Å; L25-C29 VanDerWaalsContact O-SG 3.38Å; T26-C29 PolarHBondContact O-N 2.92Å; C29-R32 PolarHBondContact O-N 2.85Å; C29-K33 WeakPolarHBondContact O-CB 3.4Å; C29-K33 PolarHBondContact O-N 3.08Å
30L86.1Confident78.5Confident105 Ų105116.8 Ų116.855%0.5557%0.571SS.*Hα-helixtrans-66.1-40.8175.1-71.1172.3000112T26 M27 K33 K34T26-L30 WeakPolarHBondContact O-CB 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 3.11Å; M27-L30 PolarHBondContact O-N 2.8Å; M27-L30 HydrophobicContact SD-CD1 4.33Å; L30-K33 PolarHBondContact O-N 3.16Å; L30-K34 WeakPolarHBondContact O-CB 3.45Å; L30-K34 PolarHBondContact O-N 2.71Å
31R81.4Confident75.7Confident188 Ų188119.5 Ų119.571%0.70958%0.58SS**Hα-helixtrans-61.8-45171.8-76.6178.3176.8-165.4-0.3111.6M27 C28 K33 K34 N35M27-R31 WeakPolarHBondContact O-CB 3.47Å; M27-R31 VanDerWaalsContact O-CG 3.3Å; M27-R31 WeakPolarHBondContact O-CG 3.5Å; M27-R31 PolarHBondContact O-N 2.82Å; C28-R31 PolarHBondContact O-N 2.96Å; R31-K33 PolarHBondContact O-N 3.46Å; R31-K34 PolarHBondContact O-N 3.05Å; R31-N35 WeakPolarHBondContact O-CB 3.38Å; R31-N35 PolarHBondContact O-N 3.15Å
32R77.4Confident73.1Confident197 Ų197123.1 Ų123.174%0.74359%0.594SS**Hα-helixtrans-60.1-41.4173.5-80.8-177.6168.7-168.7-3.1112.1C28 C29 K36C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 WeakPolarHBondContact O-CG 3.36Å; C28-R32 PolarHBondContact O-N 3.05Å; C29-R32 PolarHBondContact O-N 2.85Å; R32-K36 WeakPolarHBondContact O-CG 3.21Å; R32-K36 PolarHBondContact O-N 3.34Å; R32-K36 VanDerWaalsContact O-N 3.11Å
33K78.9Confident70.7Confident144 Ų144124.7 Ų124.763%0.62660%0.602SS**Hα-helixtrans-65.6-46.7176.4-169.9177-179.5-178.80111.8C29 L30 R31 N35 K36 Q37C29-K33 WeakPolarHBondContact O-CB 3.4Å; C29-K33 PolarHBondContact O-N 3.08Å; L30-K33 PolarHBondContact O-N 3.16Å; R31-K33 PolarHBondContact O-N 3.46Å; K33-N35 PolarHBondContact O-N 3.05Å; K33-K36 PolarHBondContact O-N 3.33Å; K33-Q37 PolarHBondContact O-N 3.2Å
34K74.3Confident67.8Low168 Ų168126.2 Ų126.273%0.7361%0.609SS**Hα-helixtrans-64.6-37.9178.3-169172-178.2177.50112.2L30 R31 Q37 G38L30-K34 WeakPolarHBondContact O-CB 3.45Å; L30-K34 PolarHBondContact O-N 2.71Å; R31-K34 PolarHBondContact O-N 3.05Å; K34-Q37 PolarHBondContact O-N 2.57Å; K34-G38 PolarHBondContact O-N 2.82Å
35N65.6Low65.2Low126 Ų126127.1 Ų127.167%0.67462%0.624SS**Hα-helixtrans-65.6-42.7176-159.631.7000111.9R31 K33 Q37 G38R31-N35 WeakPolarHBondContact O-CB 3.38Å; R31-N35 PolarHBondContact O-N 3.15Å; K33-N35 PolarHBondContact O-N 3.05Å; N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.32Å; N35-G38 PolarHBondContact O-N 2.8Å
36K64.7Low62.4Low155 Ų155126.9 Ų126.967%0.67464%0.636SS**Hα-helixtrans-59.8-36.9170.9-75.7-173.2174.9-167.90112.5R32 K33 Y40R32-K36 WeakPolarHBondContact O-CG 3.21Å; R32-K36 PolarHBondContact O-N 3.34Å; R32-K36 VanDerWaalsContact O-N 3.11Å; K33-K36 PolarHBondContact O-N 3.33Å; K36-Y40 WeakPolarHBondContact O-CD2 3.4Å
37Q58.2Low59.5Low117 Ų117129.9 Ų129.955%0.54765%0.654SS.*Hα-helixtrans-73.9-32-179.8-166.1166.8-5.200112.8K33 K34 N35 Q39 Y40 Q41K33-Q37 PolarHBondContact O-N 3.2Å; K34-Q37 PolarHBondContact O-N 2.57Å; N35-Q37 VanDerWaalsContact C-N 3.28Å; N35-Q37 PolarHBondContact O-N 3.32Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 2.71Å; Q37-Y40 PolarHBondContact O-N 3.33Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; Q37-Q41 PolarHBondContact O-N 3.36Å
38G49.6Very low56.7Low38 Ų38130 Ų13039%0.39266%0.663SS.*Hα-helixtrans-56.7-44.3173.200000113K34 N35 Y40 Q41K34-G38 PolarHBondContact O-N 2.82Å; N35-G38 PolarHBondContact O-N 2.8Å; G38-Y40 PolarHBondContact O-N 2.91Å; G38-Y40 VanDerWaalsContact O-N 3.12Å; G38-Q41 PolarHBondContact O-N 3.05Å
39Q46.2Very low54.1Low146 Ų146132.8 Ų132.868%0.68268%0.682SS**Hα-helixtrans-62.1-17.2177-76.2-172.1-50.500114.9Q37Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 2.71Å
40Y40.5Very low51.6Low175 Ų175135 Ų13569%0.68669%0.693SS**Hα-helixtrans-93.3-21.3173.4-81-92.9000113.1K36 Q37 G38K36-Y40 WeakPolarHBondContact O-CD2 3.4Å; Q37-Y40 PolarHBondContact O-N 3.33Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; G38-Y40 PolarHBondContact O-N 2.91Å; G38-Y40 VanDerWaalsContact O-N 3.12Å
41Q37Very low49.1Very low127 Ų127134.8 Ų134.859%0.59370%0.698SS**Hα-helixtrans-78.6-33.5-174.8-155.874.328.900112.5Q37 G38 L43Q37-Q41 PolarHBondContact O-N 3.36Å; G38-Q41 PolarHBondContact O-N 3.05Å; Q41-L43 PolarHBondContact O-N 2.94Å
42E38.5Very low46.8Very low174 Ų174130.5 Ų130.581%0.81370%0.703SS**THydrogen-bonded Turntrans-66.4-17.3177.3-67.5-172.5135.600113.5I44E42-I44 VanDerWaalsContact C-N 3.3Å; E42-I44 PolarHBondContact O-N 2.93Å
43L44.1Very low44.5Very low143 Ų143129 Ų12975%0.74970%0.704SS**THydrogen-bonded Turntrans-81.51.3-177.3-83.5161.2000115Q41Q41-L43 PolarHBondContact O-N 2.94Å
44I35.6Very low42.3Very low131 Ų131127.5 Ų127.567%0.67271%0.711SS**SBendtrans-117.1-17.8-172.3-60.6-179.5000113.1E42 A46E42-I44 VanDerWaalsContact C-N 3.3Å; E42-I44 PolarHBondContact O-N 2.93Å; I44-A46 PolarHBondContact O-N 2.8Å
45S38.3Very low40.2Very low116 Ų116124 Ų12481%0.81171%0.714SS**SBendtrans-99.550.9-169-170.50000115.3
46A34.9Very low38.6Very low90 Ų90123.8 Ų123.874%0.74472%0.719SS**  trans-154.282170.700000113I44I44-A46 PolarHBondContact O-N 2.8Å
47V32.7Very low37Very low136 Ų136122.9 Ų122.982%0.82473%0.726SS**  trans-113.7104.5167.7179.80000109
48P33.9Very low35.6Very low107 Ų107124.6 Ų124.670%0.69574%0.738SS**  trans-72.1135.8166.3-11.227.6000109.8
49S34.5Very low34.8Very low121 Ų121127.9 Ų127.985%0.84675%0.752SS**  trans-72.9136.6168.6420000110.6
50V32.3Very low34.1Very low130 Ų130127.7 Ų127.779%0.78876%0.761SS**  trans-119.4132.4176.6-178.80000108.7
51P32.6Very low33.5Very low102 Ų102124.5 Ų124.566%0.66276%0.764SS**  trans-66.6151.3-179.8-20.933.5000113.5
52A34Very low33.1Very low97 Ų97127.7 Ų127.780%0.80278%0.779SS**  trans-82.4118.6176.300000111.6
53H29.2Very low32.5Very low165 Ų165122.8 Ų122.876%0.76478%0.775SS**  trans-136.3121.2170-75.9-64.4000112.8
54S30.8Very low31.6Very low113 Ų113126.6 Ų126.679%0.7979%0.786SS**  trans38.6105.9141.9-47.70000119.2
55A30.4Very low31.3Very low94 Ų94125.5 Ų125.578%0.77779%0.789SS**PPolyproline II helixtrans-71.4138.4161.700000111.3
56P32.9Very low30.8Very low122 Ų122124.6 Ų124.679%0.79279%0.789SS**PPolyproline II helixtrans-77.4129.6171.231-32.6000110.9
57V30.2Very low30.4Very low136 Ų136131.8 Ų131.882%0.82480%0.797SS**PPolyproline II helixtrans-74.2134170.5176.50000109.2P59V57-P59 VanDerWaalsContact O-CD 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.14Å
58I30.5Very low30.5Very low154 Ų154134.4 Ų134.479%0.7980%0.799SS**  trans-85.9114.8173.2-59.2173000108.6
59P32.2Very low30.4Very low107 Ų107132.6 Ų132.670%0.69580%0.8SS**  trans-79.3129.1170.831.9-32.1000110.3V57V57-P59 VanDerWaalsContact O-CD 3.31Å; V57-P59 WeakPolarHBondContact O-CD 3.14Å
60V30.3Very low30.3Very low141 Ų141135.9 Ų135.986%0.85580%0.802SS**  trans-83.2122.7166177.60000108.2
61S29.6Very low30.3Very low109 Ų109137.2 Ų137.276%0.76280%0.803SS**  trans-112.7132.8174.347.80000111.3
62Q27.4Very low30.4Very low193 Ų193138.5 Ų138.590%0.90281%0.811SS**  trans-83.4144.6175.8-67171.4-40.900109.9
63G26Very low30.5Very low72 Ų72142.2 Ų142.274%0.74281%0.81SS**  trans-76.4-173.2-161.600000117.6
64F24.8Very low30.9Very low222 Ų222139.9 Ų139.997%0.97481%0.812SS**  trans-151177.3135.7-136.7-102.9000111.9
65C29.2Very low30.9Very low109 Ų109141.3 Ų141.374%0.73681%0.81SS**  trans-92.2149.5-159.4-172.10000115.7
66A28Very low30.9Very low97 Ų97142.2 Ų142.280%0.80281%0.808SS**  trans-147.298.7160.300000112.8
67R27.9Very low31.1Very low241 Ų241142.4 Ų142.491%0.90981%0.81SS**  trans27.5116.3157.5-67.9179.9173.6163-1.7120.3
68H33.4Very low31.2Very low190 Ų190147.4 Ų147.488%0.8881%0.814SS**PPolyproline II helixtrans-69.2155.8150.1-89.5-109000111.8
69G31.8Very low31.2Very low69 Ų69146.3 Ų146.371%0.71182%0.818SS**PPolyproline II helixtrans-93.3146.6155.900000110.6
70E32.6Very low31.3Very low191 Ų191147.2 Ų147.289%0.89382%0.822SS**PPolyproline II helixtrans-88.5151.8-173.3-61.3178.7147.200112.8
71I31.9Very low31.2Very low158 Ų158146.3 Ų146.381%0.8182%0.818SS**  trans-120.5123164.8-59.7175.8000106.7
72P35.9Very low31.1Very low128 Ų128150.4 Ų150.483%0.83183%0.825SS**  trans-76.4138.2-176.230.6-34.5000111.6
73F35.6Very low31.2Very low175 Ų175148.4 Ų148.477%0.76882%0.821SS**  trans-127140.2163.869.1-86.3000109.6L75F73-L75 HydrophobicContact CD2-CD2 4.37Å; F73-L75 HydrophobicContact CD2-CG 4.47Å; F73-L75 HydrophobicContact CE2-CD2 4.18Å; F73-L75 HydrophobicContact CE2-CG 4.25Å
74S38.2Very low31.3Very low117 Ų117151 Ų15182%0.81882%0.822SS**  trans-107.1144.4175.9490000110.4
75L29.8Very low31.5Very low142 Ų142144.3 Ų144.374%0.74381%0.809SS**PPolyproline II helixtrans-99.9140.5-179.4-69.8171000111F73F73-L75 HydrophobicContact CD2-CD2 4.37Å; F73-L75 HydrophobicContact CD2-CG 4.47Å; F73-L75 HydrophobicContact CE2-CD2 4.18Å; F73-L75 HydrophobicContact CE2-CG 4.25Å
76P31.4Very low31.4Very low114 Ų114145.1 Ų145.174%0.7481%0.81SS**PPolyproline II helixtrans-64.2152.8170.3-19.732.5000112.3
77P36.5Very low31.5Very low126 Ų126147.2 Ų147.282%0.81881%0.807SS**PPolyproline II helixtrans-67.7147.8177.228.9-34.9000112.2
78R32.3Very low31.5Very low241 Ų241145 Ų14591%0.90980%0.798SS**PPolyproline II helixtrans-70.7133.1175.8-74.4179.8170.4176.9-3.8111.4
79C29.9Very low31.3Very low131 Ų131142.4 Ų142.489%0.88579%0.791SS**PPolyproline II helixtrans-68.6137.9159.9-62.30000110.3
80V34Very low31.2Very low126 Ų126143.8 Ų143.876%0.76480%0.796SS**PPolyproline II helixtrans-98.6130.4174.31780000108.9Q82V80-Q82 PolarHBondContact O-N 2.85Å
81P29.2Very low31.1Very low121 Ų121143 Ų14379%0.78679%0.792SS**  trans-76.8112.8173.130.3-32000110.4
82Q28.3Very low30.9Very low195 Ų195140.6 Ų140.691%0.91179%0.789SS**  trans-81.5152.5157.8-86.7-175.2-18.200110V80V80-Q82 PolarHBondContact O-N 2.85Å
83N28.9Very low30.5Very low151 Ų151142.8 Ų142.881%0.80779%0.788SS**  trans-136.2161.1-168.9-162.78.2000111.1
84T28.3Very low30.2Very low126 Ų126141.8 Ų141.877%0.77379%0.786SS**  trans73.8121173.8-6.90000117
85A27.7Very low29.8Very low83 Ų83146.1 Ų146.169%0.68679%0.79SS**  149.1118.110400000116.5
86V27.5Very low29.7Very low125 Ų125148 Ų14876%0.75880%0.796SS**  84.8116.3121.6170.20000120.9
87L31Very low29.6Very low141 Ų141152.7 Ų152.774%0.73880%0.804SS**  trans74.2147.3160.8-56.1166.5000117.4
88R28.4Very low29.2Very low195 Ų195155.5 Ų155.574%0.73681%0.806SS**  cis-158.1148.5-1.9-124.4-172.9-177.8142.55113.6
89D28.3Very low29Very low135 Ų135147.7 Ų147.772%0.72280%0.801SS**  trans46152.2141.8-52.1-17.1000124.9
90A30Very low28.8Very low98 Ų98144.9 Ų144.981%0.8179%0.787SS**  trans75.7143.7158.300000121.1
91E29.5Very low28.5Very low174 Ų174146 Ų14681%0.81379%0.788SS**  cis-168.3130.4-30-153.5169-153.300111.3
92S27.7Very low28.5Very low109 Ų109148.3 Ų148.376%0.76279%0.786SS**  trans61.5166.5161.9790000118.6
93Q29.1Very low28.6Very low173 Ų173144.4 Ų144.481%0.80878%0.775SS**  cis-147.9177.7-4.2-145.1171.517.700111.7
94E28.7Very low28.5Very low155 Ų155141.9 Ų141.972%0.72476%0.761SS**  trans-85.9162.9-167.6-40.3116.2146.500115.6
95K29.6Very low28.6Very low207 Ų207139.8 Ų139.890%0.976%0.757SS**  -166.1144.2110.9-109.1165.8-174166.70115.5
96E28.1Very low28.7Very low183 Ų183143.8 Ų143.886%0.85576%0.761SS**  trans-88.7162.6177.4-53.8169.6118.900112.7
97K29Very low28.8Very low212 Ų212146 Ų14692%0.92276%0.756SS**  -154.1122.6128.6-119.6-179.6-178-175.10111.6
98E27.5Very low28.8Very low184 Ų184146.5 Ų146.586%0.8676%0.759SS**  trans-89.9156.8179.2-169.6176.2-160.800112.1
99G28.1Very low29.2Very low77 Ų77144.4 Ų144.479%0.79476%0.762SS**  trans-173.769177.500000113.9
100A26.8Very low29.5Very low72 Ų72146.2 Ų146.260%0.59577%0.77SS**  trans-74.4167.5170.400000111.2
101L27.6Very low29.8Very low151 Ų151146.2 Ų146.279%0.79177%0.77SS**  cis-122.8157.221.6-85.468.9000111.9
102K28.7Very low30.3Very low168 Ų168147.4 Ų147.473%0.7378%0.775SS**  cis9215823.4-164.5-174.2-176.6178.20114.6
103V29.4Very low30.7Very low114 Ų114154.4 Ų154.469%0.69179%0.785SS**  trans79114.2174.9-173.20000112.3
104D28Very low30.8Very low97 Ų97150 Ų15052%0.51979%0.786SS.*  cis-153.5-173.6-15.3-129.772.6000104.5R107D104-R107 IonicContact OD1-NH1 3.89Å; D104-R107 PolarHBondContact OD1-NH1 2.82Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NH1 3.93Å; D104-R107 PolarHBondContact OD2-NH1 3.04Å
105A30.4Very low31Very low82 Ų82147.8 Ų147.868%0.67879%0.787SS**  cis-143.215011.900000112.7
106Q29.9Very low31.5Very low167 Ų167146.2 Ų146.278%0.7879%0.788SS**  trans-154.678.9161.1178.561.92.900107.5
107R29Very low32Very low171 Ų171142.8 Ų142.865%0.64578%0.784SS**  trans-140134.1169.4-61.3176.3171.4108.5-12.9104D104D104-R107 IonicContact OD1-NH1 3.89Å; D104-R107 PolarHBondContact OD1-NH1 2.82Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NH1 3.93Å; D104-R107 PolarHBondContact OD2-NH1 3.04Å
108D30.9Very low32.9Very low152 Ų152140.1 Ų140.181%0.81379%0.785SS**  cis-130.9127.432.2-59.2-58.8000114.2
109I36.4Very low33.8Very low152 Ų152135 Ų13578%0.77978%0.781SS**  trans-13868.9160.8-50.3-180000108.7
110L35.7Very low34.1Very low172 Ų172136.3 Ų136.390%0.90178%0.779SS**  trans-154.349.5175.3-126.3168.9000113.6
111A35.6Very low34.9Very low99 Ų99143.2 Ų143.282%0.81879%0.79SS**  trans-133.248.9-179.700000113.5
112H39.6Very low35.5Very low198 Ų198144.8 Ų144.892%0.91779%0.786SS**  trans-107.199.1168.2-82.2-35.4000111.7
113R36.6Very low36.4Very low257 Ų257142.8 Ų142.897%0.9779%0.791SS**  trans-157.8132.1158-128.9-179.4-174.7-161.31111.8
114G30.1Very low37.3Very low79 Ų79144 Ų14481%0.81480%0.798SS**  trans103.669.2160.700000117.6
115S34.2Very low38.2Very low109 Ų109142.5 Ų142.576%0.76281%0.805SS**  -178.1135.7111.6-167.50000110.7
116L40.2Very low39.4Very low175 Ų175143.8 Ų143.892%0.91681%0.809SS**  trans-110.888.1173.1-74.8170.6000109.2
117S39.3Very low40.2Very low110 Ų110140.7 Ų140.777%0.76980%0.801SS**  trans-86123.6163.242.80000109.7G119S117-G119 PolarHBondContact O-N 2.98Å
118V47.2Very low41.3Very low156 Ų156138.1 Ų138.195%0.94580%0.8SS**  trans-71.6122.7176.8177.60000108.8
119G45.6Very low42.3Very low76 Ų76136.1 Ų136.178%0.78479%0.793SS**  trans167.37.2178.100000120.2S117S117-G119 PolarHBondContact O-N 2.98Å
120S35.8Very low43.1Very low105 Ų105131.9 Ų131.973%0.73479%0.787SS**  trans-156.6123.4166.2-167.70000112.2
121W43.5Very low43.5Very low218 Ų218130.2 Ų130.283%0.82678%0.778SS**  trans-98147.4160.7-82.5-8.3000108.8
122Y40Very low44.1Very low183 Ų183134 Ų13472%0.71877%0.773SS**SBendtrans67.497.2-178.5-34.2-65.7000114.1V124Y122-V124 PolarHBondContact O-N 3.44Å; Y122-V124 VanDerWaalsContact O-N 3.11Å
123P46.3Very low44Very low127 Ų127128.6 Ų128.683%0.82576%0.757SS**  trans-65.2112.4160.728.3-31.6000108.5G125P123-G125 PolarHBondContact O-N 2.78Å
124V50.1Low44.3Very low140 Ų140125 Ų12585%0.84875%0.753SS**  trans-56.9130.1164.7175.30000107.5Y122 S126Y122-V124 PolarHBondContact O-N 3.44Å; Y122-V124 VanDerWaalsContact O-N 3.11Å; V124-S126 PolarHBondContact O-N 2.81Å
125G46.1Very low44.6Very low64 Ų64126.1 Ų126.166%0.6675%0.745SS**  trans-52.1120.7-166.500000113P123 V127P123-G125 PolarHBondContact O-N 2.78Å; G125-V127 PolarHBondContact O-N 2.87Å; G125-V127 VanDerWaalsContact O-N 3.14Å
126S55.8Low44.8Very low109 Ų109126 Ų12676%0.76274%0.742SS**  trans-61.9115.3177.853.70000110.1V124 L128V124-S126 PolarHBondContact O-N 2.81Å; S126-L128 PolarHBondContact O-N 2.76Å; S126-L128 VanDerWaalsContact O-N 3.07Å
127V46.9Very low45.1Very low103 Ų103126.3 Ų126.362%0.62474%0.743SS**  trans-60114.5175.4177.90000108.5G125 T129 Y132G125-V127 PolarHBondContact O-N 2.87Å; G125-V127 VanDerWaalsContact O-N 3.14Å; V127-T129 PolarHBondContact O-N 3.04Å; V127-Y132 HydrophobicContact CG1-CD2 3.6Å; V127-Y132 HydrophobicContact CG1-CE2 3.8Å
128L50.6Low45Very low116 Ų116126.1 Ų126.161%0.60774%0.741SS**  trans-67.597.4171.9-76.4168.5000108.4S126 G130 L131S126-L128 PolarHBondContact O-N 2.76Å; S126-L128 VanDerWaalsContact O-N 3.07Å; L128-G130 PolarHBondContact O-N 3.41Å; L128-G130 VanDerWaalsContact O-N 3.1Å; L128-L131 HydrophobicContact CB-CB 4.43Å; L128-L131 HydrophobicContact CB-CD1 3.98Å; L128-L131 HydrophobicContact CB-CG 3.94Å; L128-L131 HydrophobicContact CD1-CD1 3.91Å; L128-L131 HydrophobicContact CD1-CG 4.42Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.06Å
129T53.7Low44.6Very low111 Ų111126 Ų12668%0.68173%0.731SS**G310 helixtrans-58.1-22.1177.128.80000113.1V127 L131 Y132 S133V127-T129 PolarHBondContact O-N 3.04Å; T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 PolarHBondContact O-N 3.15Å; T129-Y132 CarbonylContact O-C 3.25Å; T129-Y132 PolarHBondContact O-N 3.42Å; T129-S133 PolarHBondContact O-N 3.49Å; T129-S133 PolarHBondContact O-OG 2.85Å
130G51.7Low44.7Very low63 Ų63127.9 Ų127.965%0.64973%0.727SS**G310 helixtrans-64.4-27169.100000114.5L128L128-G130 PolarHBondContact O-N 3.41Å; L128-G130 VanDerWaalsContact O-N 3.1Å
131L44.4Very low45.1Very low136 Ų136128.2 Ų128.271%0.71272%0.724SS**G310 helixtrans-84.5-11.4174.5-60.2-179.8000113.2L128 T129L128-L131 HydrophobicContact CB-CB 4.43Å; L128-L131 HydrophobicContact CB-CD1 3.98Å; L128-L131 HydrophobicContact CB-CG 3.94Å; L128-L131 HydrophobicContact CD1-CD1 3.91Å; L128-L131 HydrophobicContact CD1-CG 4.42Å; L128-L131 WeakPolarHBondContact O-CB 3.1Å; L128-L131 PolarHBondContact O-N 3.06Å; T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 PolarHBondContact O-N 3.15Å
132Y48.5Very low45Very low180 Ų180121 Ų12171%0.70671%0.711SS**SBendtrans-118.817.3178-69.3-83.2000112.5V127 T129 M134V127-Y132 HydrophobicContact CG1-CD2 3.6Å; V127-Y132 HydrophobicContact CG1-CE2 3.8Å; T129-Y132 CarbonylContact O-C 3.25Å; T129-Y132 PolarHBondContact O-N 3.42Å; Y132-M134 PolarHBondContact O-N 2.86Å; Y132-M134 VanDerWaalsContact O-N 3.16Å
133S38.6Very low45.4Very low84 Ų84114 Ų11459%0.58769%0.688SS**  trans-72.2106.7173.8-68.70000108.9T129 T135T129-S133 PolarHBondContact O-N 3.49Å; T129-S133 PolarHBondContact O-OG 2.85Å; S133-T135 PolarHBondContact O-N 3.4Å
134M41.9Very low45.6Very low180 Ų180112.2 Ų112.289%0.88768%0.676SS**PPolyproline II helixtrans-60.1120.7168.5-74.5-167.47500109Y132Y132-M134 PolarHBondContact O-N 2.86Å; Y132-M134 VanDerWaalsContact O-N 3.16Å
135T36.4Very low45.2Very low103 Ų103114.5 Ų114.563%0.63268%0.683SS**PPolyproline II helixtrans-53.6131.3171.1-46.50000109.3S133 L137S133-T135 PolarHBondContact O-N 3.4Å; T135-L137 PolarHBondContact O-N 2.81Å
136P38.2Very low45.3Very low108 Ų108115.3 Ų115.370%0.70169%0.691SS**PPolyproline II helixtrans-53.6133.7174.5-27.235.6000111S138P136-S138 PolarHBondContact O-N 3.41Å
137L47.5Very low45.8Very low181 Ų181114.9 Ų114.995%0.94868%0.678SS**THydrogen-bonded Turntrans-75.469-172.7-159.1161000110.4T135T135-L137 PolarHBondContact O-N 2.81Å
138S37.3Very low47.2Very low105 Ų105111.7 Ų111.773%0.73466%0.663SS**THydrogen-bonded Turntrans-155.92.2-174.3-148.30000116P136 V140P136-S138 PolarHBondContact O-N 3.41Å; S138-V140 PolarHBondContact O-N 2.86Å
139E37Very low49Very low153 Ų153106.8 Ų106.872%0.71564%0.637SS**  trans-80.5113.4162.5-72.7-162.7134.200109.6V141E139-V141 HydrophobicContact CB-CG2 4.2Å; E139-V141 PolarHBondContact O-N 2.87Å
140V49.3Very low50.8Low116 Ų116105.7 Ų105.770%0.70362%0.621SS**  trans-78.469.3175.3-172.50000109.1S138 A142S138-V140 PolarHBondContact O-N 2.86Å; V140-A142 PolarHBondContact O-N 2.79Å; V140-A142 VanDerWaalsContact O-N 3.11Å
141V43.3Very low52.9Low113 Ų113102.7 Ų102.769%0.68559%0.59SS**  trans-66.8106.8168.5-177.60000107.2E139E139-V141 HydrophobicContact CB-CG2 4.2Å; E139-V141 PolarHBondContact O-N 2.87Å
142A41.9Very low55.2Low66 Ų6696.5 Ų96.555%0.54556%0.558SS.*PPolyproline II helixtrans-58.6132.8171.200000109V140V140-A142 PolarHBondContact O-N 2.79Å; V140-A142 VanDerWaalsContact O-N 3.11Å
143P48Very low57.4Low37 Ų3788 Ų8824%0.2452%0.524CS..PPolyproline II helixtrans-52.8140178-27.434.3000111.2L145 M147 N173P143-L145 PolarHBondContact O-N 3.05Å; P143-M147 HydrophobicContact CB-CB 4.14Å; P143-N173 HydrophobicContact CB-CB 4.29Å; P143-N173 HydrophobicContact CG-CB 4.03Å; P143-N173 WeakPolarHBondContact CG-OD1 3.45Å
144P49.7Very low60.1Low88 Ų8884.7 Ų84.757%0.57150%0.502SS*.PPolyproline II helixtrans-57.3138.4-176.621-31.2000111.1G146 M147P144-G146 PolarHBondContact O-N 3.28Å; P144-M147 HydrophobicContact CG-CE 4.31Å; P144-M147 HydrophobicContact CG-CG 3.87Å; P144-M147 WeakPolarHBondContact O-CG 3.45Å; P144-M147 PolarHBondContact O-N 2.91Å
145L42.4Very low62.5Low189 Ų18976.3 Ų76.399%0.9946%0.46SS*.THydrogen-bonded Turntrans-49.4111.6-174.9-79.1143.5000111.3P143P143-L145 PolarHBondContact O-N 3.05Å
146G49.2Very low65.1Low80 Ų8074.4 Ų74.483%0.82544%0.444SS*.THydrogen-bonded Turntrans120.7-13.6-177.700000114.9P144 A148P144-G146 PolarHBondContact O-N 3.28Å; G146-A148 PolarHBondContact O-N 2.89Å
147M66.1Low67.7Low100 Ų10070 Ų7049%0.49341%0.414SS..PPolyproline II helixtrans-73.4116.5175.3-67.7-63.4166.300111.8P143 P144P143-M147 HydrophobicContact CB-CB 4.14Å; P144-M147 HydrophobicContact CG-CE 4.31Å; P144-M147 HydrophobicContact CG-CG 3.87Å; P144-M147 WeakPolarHBondContact O-CG 3.45Å; P144-M147 PolarHBondContact O-N 2.91Å
148A76.4Confident69.7Low37 Ų3766.1 Ų66.131%0.30639%0.387SS..PPolyproline II helixtrans-69.9152.4172.500000111.8G146 R150 N173 D265G146-A148 PolarHBondContact O-N 2.89Å; A148-R150 WeakPolarHBondContact O-CG 3.47Å; A148-N173 WeakPolarHBondContact O-CB 3.48Å; A148-N173 PolarHBondContact O-ND2 2.9Å; A148-D265 HydrophobicContact CB-CB 4.16Å
149T88.1Confident72.2Confident12 Ų1266.9 Ų66.97%0.07438%0.378CS..PPolyproline II helixtrans-63.1131.2167-47.50000109.3L171 S172 N173 L174 L266T149-L171 HydrophobicContact CG2-CD1 4.07Å; T149-L171 HydrophobicContact CG2-CD2 3.71Å; T149-L171 HydrophobicContact CG2-CG 3.8Å; T149-S172 CarbonylContact C-O 3.45Å; T149-S172 WeakPolarHBondContact CA-O 3.22Å; T149-N173 PolarHBondContact OG1-O 2.84Å; T149-L174 HydrophobicContact CG2-CD1 4.37Å; T149-L266 HydrophobicContact CG2-CD1 3.59Å; T149-L266 HydrophobicContact CG2-CG 4.19Å; T149-L266 PolarHBondContact O-N 2.84Å
150R91.5Very high74.7Confident88 Ų8865.4 Ų65.433%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-122.1138.2-176.2-57.3-170.6147.81428.8112.2A148 L171 S172 W263 R264 D265A148-R150 WeakPolarHBondContact O-CG 3.47Å; R150-L171 CarbonylContact O-C 3.41Å; R150-L171 WeakPolarHBondContact O-CA 3.43Å; R150-L171 WeakPolarHBondContact O-CD1 3.46Å; R150-S172 PolarHBondContact N-O 2.81Å; R150-S172 PolarHBondContact O-N 3.31Å; R150-W263 HydrophobicContact CB-CE3 3.75Å; R150-W263 HydrophobicContact CB-CZ3 4.05Å; R150-R264 CarbonylContact C-O 3.54Å; R150-R264 WeakPolarHBondContact CA-O 3.46Å; R150-D265 IonicContact CZ-OD1 2.71Å; R150-D265 IonicContact CZ-OD2 3.68Å; R150-D265 VanDerWaalsContact NE-CG 3.31Å; R150-D265 IonicContact NE-OD1 3.93Å; R150-D265 PolarHBondContact NE-OD1 2.14Å; R150-D265 IonicContact NE-OD2 2.7Å; R150-D265 PolarHBondContact NE-OD2 2.52Å; R150-D265 IonicContact NH2-OD1 3.4Å; R150-D265 PolarHBondContact NH2-OD1 3.42Å; R150-D265 IonicContact NH2-OD2 3.5Å; R150-D265 PolarHBondContact NH2-OD2 3.12Å
151L94.4Very high76.7Confident1 Ų161.9 Ų61.91%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-100.7130.3172.3-174.365.4000110.7F153 L171 V185 L230 M232 V247 W263 R264 L266L151-F153 HydrophobicContact CB-CD1 4.46Å; L151-F153 HydrophobicContact CD2-CD1 4.06Å; L151-F153 HydrophobicContact CD2-CE1 4.47Å; L151-F153 HydrophobicContact CG-CD1 3.96Å; L151-L171 HydrophobicContact CB-CD1 4.11Å; L151-L171 HydrophobicContact CD1-CD1 3.83Å; L151-V185 HydrophobicContact CD1-CG2 4.48Å; L151-L230 HydrophobicContact CD2-CB 4.01Å; L151-L230 HydrophobicContact CD2-CD2 4.01Å; L151-M232 HydrophobicContact CD1-SD 4.33Å; L151-V247 HydrophobicContact CB-CG2 4.34Å; L151-V247 HydrophobicContact CD2-CG2 4.27Å; L151-W263 WeakPolarHBondContact O-CA 3.08Å; L151-R264 PolarHBondContact N-O 2.9Å; L151-R264 PolarHBondContact O-N 3.22Å; L151-L266 HydrophobicContact CB-CD2 4.18Å
152C94.1Very high79.1Confident6 Ų659.5 Ų59.54%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-103.3118.3173.6-173.10000109.7L169 R170 V261 L262 W263C152-L169 HydrophobicContact CB-CB 4.3Å; C152-L169 PolarHBondContact O-N 3.17Å; C152-R170 WeakPolarHBondContact CA-O 3.12Å; C152-R170 HydrophobicContact CB-CG 3.81Å; C152-R170 WeakPolarHBondContact CB-O 3.2Å; C152-R170 PolarHBondContact N-O 3.12Å; C152-R170 PolarHBondContact O-N 3.44Å; C152-V261 WeakPolarHBondContact SG-CG1 3.18Å; C152-L262 WeakPolarHBondContact CA-O 3.46Å; C152-W263 HydrophobicContact CB-CD2 3.85Å; C152-W263 HydrophobicContact CB-CE3 3.74Å; C152-W263 HydrophobicContact CB-CH2 3.67Å; C152-W263 HydrophobicContact CB-CZ2 3.71Å; C152-W263 HydrophobicContact CB-CZ3 3.66Å
153F94.9Very high81.5Confident0 Ų058.7 Ų58.70%033%0.332CS..EExtended strand (participates in β ladder)trans-153.5164.8-178.867-76.6000111L151 V155 S167 L168 L230 V247 F249 L262 R264L151-F153 HydrophobicContact CB-CD1 4.46Å; L151-F153 HydrophobicContact CD2-CD1 4.06Å; L151-F153 HydrophobicContact CD2-CE1 4.47Å; L151-F153 HydrophobicContact CG-CD1 3.96Å; F153-V155 HydrophobicContact CD2-CG2 3.83Å; F153-V155 HydrophobicContact CE2-CG2 3.73Å; F153-S167 CarbonylContact C-O 3.6Å; F153-S167 WeakPolarHBondContact CA-O 3.27Å; F153-S167 WeakPolarHBondContact CB-O 3.5Å; F153-L168 HydrophobicContact CB-CD2 3.88Å; F153-L230 HydrophobicContact CD2-CD2 4.19Å; F153-L230 HydrophobicContact CE2-CD1 4.04Å; F153-L230 HydrophobicContact CE2-CD2 4.44Å; F153-L230 HydrophobicContact CG-CD2 4.35Å; F153-L230 HydrophobicContact CZ-CD1 4.05Å; F153-V247 HydrophobicContact CE1-CG1 4.29Å; F153-V247 HydrophobicContact CZ-CG1 4.18Å; F153-F249 HydrophobicContact CE2-CD2 4.29Å; F153-F249 HydrophobicContact CE2-CG 4.36Å; F153-F249 HydrophobicContact CZ-CD2 4.23Å; F153-L262 HydrophobicContact CE2-CD1 4.35Å; F153-L262 PolarHBondContact N-O 3.28Å; F153-L262 WeakPolarHBondContact O-CA 3.19Å; F153-L262 WeakPolarHBondContact O-CB 3.25Å; F153-L262 PolarHBondContact O-N 2.24Å; F153-R264 HydrophobicContact CE1-CB 4.08Å; F153-R264 HydrophobicContact CE1-CG 3.77Å; F153-R264 HydrophobicContact CZ-CG 4.03Å
154S93.6Very high83.6Confident16 Ų1656.9 Ų56.911%0.11232%0.32CS..EExtended strand (participates in β ladder)trans-126.7155.4165.764.40000111V166 S167 R260S154-V166 WeakPolarHBondContact O-CA 3.45Å; S154-S167 PolarHBondContact N-O 3.03Å; S154-S167 PolarHBondContact O-N 3.13Å; S154-R260 WeakPolarHBondContact CB-O 3.49Å
155V93.1Very high85.7Confident3 Ų353 Ų532%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-126.6137.3174.8-174.90000107.8F153 L164 V165 V166 L228 F249 L255 A258 G259F153-V155 HydrophobicContact CD2-CG2 3.83Å; F153-V155 HydrophobicContact CE2-CG2 3.73Å; V155-L164 HydrophobicContact CG1-CD1 3.57Å; V155-L164 HydrophobicContact CG1-CD2 4.5Å; V155-L164 HydrophobicContact CG1-CG 4.07Å; V155-V165 WeakPolarHBondContact CA-O 3.48Å; V155-V166 HydrophobicContact CG2-CG1 4.46Å; V155-V166 HydrophobicContact CG2-CG2 4.5Å; V155-L228 HydrophobicContact CG2-CD2 4.05Å; V155-F249 HydrophobicContact CB-CE1 3.93Å; V155-F249 HydrophobicContact CB-CZ 4.21Å; V155-F249 HydrophobicContact CG1-CE1 3.96Å; V155-F249 HydrophobicContact CG2-CD1 4.05Å; V155-F249 HydrophobicContact CG2-CE1 3.76Å; V155-F249 HydrophobicContact CG2-CZ 4.14Å; V155-L255 HydrophobicContact CG1-CD1 4.17Å; V155-A258 VanDerWaalsContact O-CA 3.27Å; V155-A258 WeakPolarHBondContact O-CA 3.16Å; V155-G259 PolarHBondContact O-N 2.82Å
156E91.6Very high88.2Confident63 Ų6344 Ų4429%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-140.6140-178.2-170.2-154.3137.300108.2R158 L164 V165E156-R158 VanDerWaalsContact OE1-CG 3.23Å; E156-R158 WeakPolarHBondContact OE1-CG 3.46Å; E156-R158 IonicContact OE1-CZ 3.46Å; E156-R158 IonicContact OE1-NE 2.8Å; E156-R158 PolarHBondContact OE1-NE 2.95Å; E156-R158 IonicContact OE1-NH2 3.31Å; E156-R158 PolarHBondContact OE1-NH2 3.07Å; E156-R158 IonicContact OE2-CZ 3.72Å; E156-R158 IonicContact OE2-NE 3.21Å; E156-R158 IonicContact OE2-NH2 2.88Å; E156-R158 PolarHBondContact OE2-NH2 3.45Å; E156-L164 CarbonylContact O-C 3.55Å; E156-L164 WeakPolarHBondContact O-CA 3.43Å; E156-V165 HydrophobicContact CB-CB 4.36Å; E156-V165 PolarHBondContact N-O 2.82Å; E156-V165 PolarHBondContact O-N 2.97Å
157Y91.3Very high90.3Very high15 Ų1541.2 Ų41.26%0.05922%0.216CC..EExtended strand (participates in β ladder)trans-116.8124171.4-175.5-104.7000111.2H159 E162 Q163 L164 I218 N220 I223Y157-H159 AromaticContact CD1-CD2 3.82Å; Y157-H159 AromaticContact CD1-CE1 3.6Å; Y157-H159 AromaticContact CD1-CG 3.78Å; Y157-H159 AromaticContact CD1-ND1 3.66Å; Y157-H159 AromaticContact CD1-NE2 3.72Å; Y157-H159 HydrophobicContact CE1-CB 4.3Å; Y157-H159 AromaticContact CE1-CE1 3.84Å; Y157-H159 AromaticContact CE1-CG 3.8Å; Y157-H159 AromaticContact CE1-ND1 3.49Å; Y157-H159 WeakPolarHBondContact CE1-ND1 3.38Å; Y157-H159 PolarHBondContact O-N 2.93Å; Y157-E162 WeakPolarHBondContact OH-CA 3.41Å; Y157-E162 PolarHBondContact OH-OE1 2.79Å; Y157-Q163 WeakPolarHBondContact CA-O 3.34Å; Y157-Q163 WeakPolarHBondContact CD2-O 3.45Å; Y157-L164 HydrophobicContact CD2-CB 4.23Å; Y157-L164 HydrophobicContact CD2-CD1 4.36Å; Y157-I218 HydrophobicContact CD2-CG1 4.46Å; Y157-I218 HydrophobicContact CE2-CG1 3.96Å; Y157-I218 WeakPolarHBondContact CE2-O 3.15Å; Y157-I218 PolarHBondContact OH-O 3.24Å; Y157-N220 HydrophobicContact CE1-CB 4.12Å; Y157-N220 WeakPolarHBondContact OH-CA 3.34Å; Y157-N220 PolarHBondContact OH-N 3.25Å; Y157-I223 HydrophobicContact CD1-CD1 3.7Å; Y157-I223 HydrophobicContact CD2-CD1 3.89Å; Y157-I223 HydrophobicContact CE1-CD1 3.72Å; Y157-I223 HydrophobicContact CE2-CD1 3.92Å; Y157-I223 HydrophobicContact CG-CD1 3.78Å
158R91.4Very high91.7Very high101 Ų10136.6 Ų36.638%0.38119%0.193SC..EExtended strand (participates in β ladder)trans-96.394.3178.9-65.7-177.7-178.3166.29.3109.2E156 S160 S161 E162 Q163 V165E156-R158 VanDerWaalsContact OE1-CG 3.23Å; E156-R158 WeakPolarHBondContact OE1-CG 3.46Å; E156-R158 IonicContact OE1-CZ 3.46Å; E156-R158 IonicContact OE1-NE 2.8Å; E156-R158 PolarHBondContact OE1-NE 2.95Å; E156-R158 IonicContact OE1-NH2 3.31Å; E156-R158 PolarHBondContact OE1-NH2 3.07Å; E156-R158 IonicContact OE2-CZ 3.72Å; E156-R158 IonicContact OE2-NE 3.21Å; E156-R158 IonicContact OE2-NH2 2.88Å; E156-R158 PolarHBondContact OE2-NH2 3.45Å; R158-S160 PolarHBondContact O-N 2.76Å; R158-S160 VanDerWaalsContact O-N 3.17Å; R158-S161 WeakPolarHBondContact CB-OG 3.36Å; R158-S161 PolarHBondContact O-N 3.31Å; R158-S161 VanDerWaalsContact O-N 3.11Å; R158-E162 PolarHBondContact O-N 3.31Å; R158-Q163 HydrophobicContact CB-CB 4.42Å; R158-Q163 PolarHBondContact N-O 2.85Å; R158-Q163 PolarHBondContact O-N 3.45Å; R158-V165 HydrophobicContact CG-CG2 4.49Å
159H88.8Confident92.5Very high120 Ų12037.5 Ų37.556%0.55619%0.192SC*.THydrogen-bonded Turntrans-55.7-30.6178.1-65.8-89.6000113.2Y157 S161 N220Y157-H159 AromaticContact CD1-CD2 3.82Å; Y157-H159 AromaticContact CD1-CE1 3.6Å; Y157-H159 AromaticContact CD1-CG 3.78Å; Y157-H159 AromaticContact CD1-ND1 3.66Å; Y157-H159 AromaticContact CD1-NE2 3.72Å; Y157-H159 HydrophobicContact CE1-CB 4.3Å; Y157-H159 AromaticContact CE1-CE1 3.84Å; Y157-H159 AromaticContact CE1-CG 3.8Å; Y157-H159 AromaticContact CE1-ND1 3.49Å; Y157-H159 WeakPolarHBondContact CE1-ND1 3.38Å; Y157-H159 PolarHBondContact O-N 2.93Å; H159-S161 VanDerWaalsContact C-N 3.35Å; H159-S161 PolarHBondContact O-N 3.49Å; H159-N220 PolarHBondContact ND1-ND2 3.11Å
160S90.6Very high92.8Very high123 Ų12341.9 Ų41.986%0.8621%0.208SC*.THydrogen-bonded Turntrans-74.1-18.4179.551.70000114.9R158R158-S160 PolarHBondContact O-N 2.76Å; R158-S160 VanDerWaalsContact O-N 3.17Å
161S91.2Very high92.9Very high42 Ų4237.7 Ų37.729%0.29419%0.192SC..THydrogen-bonded Turntrans-127.56.5-179.662.80000114.1R158 H159 Q163 Q217R158-S161 WeakPolarHBondContact CB-OG 3.36Å; R158-S161 PolarHBondContact O-N 3.31Å; R158-S161 VanDerWaalsContact O-N 3.11Å; H159-S161 VanDerWaalsContact C-N 3.35Å; H159-S161 PolarHBondContact O-N 3.49Å; S161-Q163 WeakPolarHBondContact O-CG 3.22Å; S161-Q163 PolarHBondContact O-N 3.26Å; S161-Q163 PolarHBondContact OG-OE1 2.98Å; S161-Q217 PolarHBondContact O-NE2 2.9Å
162E91.8Very high92.7Very high62 Ų6238.6 Ų38.629%0.2920%0.198SC..THydrogen-bonded Turntrans50.748.3-175.9-61.6-131.6111.700113.9Y157 R158 Q217 I218 T219 N220Y157-E162 WeakPolarHBondContact OH-CA 3.41Å; Y157-E162 PolarHBondContact OH-OE1 2.79Å; R158-E162 PolarHBondContact O-N 3.31Å; E162-Q217 PolarHBondContact O-NE2 3.22Å; E162-Q217 VanDerWaalsContact O-NE2 3.08Å; E162-I218 CarbonylContact C-O 3.57Å; E162-I218 PolarHBondContact O-N 3.35Å; E162-T219 VanDerWaalsContact CD-CA 3.48Å; E162-T219 VanDerWaalsContact OE1-CA 3.31Å; E162-T219 WeakPolarHBondContact OE1-CA 3.43Å; E162-T219 WeakPolarHBondContact OE1-CG2 3.44Å; E162-T219 VanDerWaalsContact OE2-CA 3.28Å; E162-T219 WeakPolarHBondContact OE2-CA 3.44Å; E162-T219 VanDerWaalsContact OE2-CB 3.22Å; E162-T219 WeakPolarHBondContact OE2-CB 3.48Å; E162-T219 WeakPolarHBondContact OE2-CG2 3.37Å; E162-T219 PolarHBondContact OE2-OG1 3.34Å; E162-N220 PolarHBondContact OE1-N 2.93Å
163Q92.6Very high92.4Very high49 Ų4939.8 Ų39.823%0.22920%0.204CC..EExtended strand (participates in β ladder)trans-127.2121.8-170.5-81.3165.1-1.800113.1Y157 R158 S161 I215 F216Y157-Q163 WeakPolarHBondContact CA-O 3.34Å; Y157-Q163 WeakPolarHBondContact CD2-O 3.45Å; R158-Q163 HydrophobicContact CB-CB 4.42Å; R158-Q163 PolarHBondContact N-O 2.85Å; R158-Q163 PolarHBondContact O-N 3.45Å; S161-Q163 WeakPolarHBondContact O-CG 3.22Å; S161-Q163 PolarHBondContact O-N 3.26Å; S161-Q163 PolarHBondContact OG-OE1 2.98Å; Q163-I215 HydrophobicContact CB-CG2 3.75Å; Q163-I215 HydrophobicContact CG-CG2 3.6Å; Q163-F216 WeakPolarHBondContact CA-O 3.46Å
164L92.3Very high92.1Very high0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-87109.3165.2-171.781000109.1V155 E156 Y157 V166 L189 I215 F216 I218 L251 L255V155-L164 HydrophobicContact CG1-CD1 3.57Å; V155-L164 HydrophobicContact CG1-CD2 4.5Å; V155-L164 HydrophobicContact CG1-CG 4.07Å; E156-L164 CarbonylContact O-C 3.55Å; E156-L164 WeakPolarHBondContact O-CA 3.43Å; Y157-L164 HydrophobicContact CD2-CB 4.23Å; Y157-L164 HydrophobicContact CD2-CD1 4.36Å; L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.47Å; L164-L189 HydrophobicContact CD2-CD2 3.94Å; L164-I215 CarbonylContact O-C 3.39Å; L164-I215 WeakPolarHBondContact O-CA 3.49Å; L164-F216 HydrophobicContact CB-CB 4.35Å; L164-F216 PolarHBondContact N-O 3.13Å; L164-F216 PolarHBondContact O-N 3.21Å; L164-I218 HydrophobicContact CB-CD1 3.82Å; L164-I218 HydrophobicContact CB-CG1 4.03Å; L164-I218 HydrophobicContact CD1-CD1 4.5Å; L164-I218 HydrophobicContact CD2-CD1 4.12Å; L164-I218 HydrophobicContact CG-CD1 4.38Å; L164-L251 HydrophobicContact CD1-CD1 4.29Å; L164-L251 HydrophobicContact CD1-CD2 4.17Å; L164-L251 HydrophobicContact CD2-CD1 3.74Å; L164-L251 HydrophobicContact CD2-CD2 3.92Å; L164-L255 HydrophobicContact CD1-CD1 3.74Å
165V93.6Very high91.7Very high5 Ų542.2 Ų42.23%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-92.6128.3174.6-173.20000108.6V155 E156 R158 I215V155-V165 WeakPolarHBondContact CA-O 3.48Å; E156-V165 HydrophobicContact CB-CB 4.36Å; E156-V165 PolarHBondContact N-O 2.82Å; E156-V165 PolarHBondContact O-N 2.97Å; R158-V165 HydrophobicContact CG-CG2 4.49Å; V165-I215 HydrophobicContact CG1-CG1 4.38Å; V165-I215 HydrophobicContact CG2-CG1 4.25Å; V165-I215 HydrophobicContact CG2-CG2 4.41Å
166V94.9Very high91.1Very high0 Ų045.9 Ų45.90%024%0.239CC..EExtended strand (participates in β ladder)trans-118.6117.6174.2-175.50000108.4S154 V155 L164 L187 C213 L214 F216 L228 L230S154-V166 WeakPolarHBondContact O-CA 3.45Å; V155-V166 HydrophobicContact CG2-CG1 4.46Å; V155-V166 HydrophobicContact CG2-CG2 4.5Å; L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.47Å; V166-L187 HydrophobicContact CB-CD2 4.19Å; V166-L187 HydrophobicContact CG1-CD2 3.76Å; V166-C213 WeakPolarHBondContact O-CA 3.22Å; V166-L214 PolarHBondContact N-O 3.46Å; V166-L214 PolarHBondContact O-N 2.87Å; V166-F216 HydrophobicContact CG2-CD2 4.27Å; V166-F216 HydrophobicContact CG2-CE2 4.2Å; V166-L228 HydrophobicContact CB-CD2 4.46Å; V166-L228 HydrophobicContact CG1-CD2 4Å; V166-L228 HydrophobicContact CG2-CD1 4.35Å; V166-L228 HydrophobicContact CG2-CD2 3.57Å; V166-L230 HydrophobicContact CG1-CD2 4.27Å
167S94.9Very high90.7Very high23 Ų2350.5 Ų50.516%0.16125%0.254CS..EExtended strand (participates in β ladder)trans-107118-179.8-54.90000109.6F153 S154F153-S167 CarbonylContact C-O 3.6Å; F153-S167 WeakPolarHBondContact CA-O 3.27Å; F153-S167 WeakPolarHBondContact CB-O 3.5Å; S154-S167 PolarHBondContact N-O 3.03Å; S154-S167 PolarHBondContact O-N 3.13Å
168L95.5Very high90.4Very high2 Ų250.3 Ų50.31%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-90.3135.6174.7-63.8178.1000110F153 V185 L187 A199 F210 D212 L214 L230F153-L168 HydrophobicContact CB-CD2 3.88Å; L168-V185 HydrophobicContact CD1-CB 3.82Å; L168-V185 HydrophobicContact CD1-CG1 3.95Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; L168-L187 HydrophobicContact CD1-CD1 4.14Å; L168-A199 HydrophobicContact CD1-CB 3.62Å; L168-F210 HydrophobicContact CB-CB 3.51Å; L168-F210 HydrophobicContact CB-CD1 4.49Å; L168-F210 HydrophobicContact CB-CG 3.99Å; L168-F210 HydrophobicContact CD1-CD1 4.32Å; L168-F210 CarbonylContact O-C 3.51Å; L168-F210 VanDerWaalsContact O-C 3.3Å; L168-F210 VanDerWaalsContact O-O 3.08Å; L168-D212 PolarHBondContact N-O 3.13Å; L168-L214 HydrophobicContact CD1-CD1 3.97Å; L168-L214 HydrophobicContact CG-CD1 4.15Å; L168-L230 HydrophobicContact CD2-CD2 3.81Å
169L93.3Very high90.2Very high56 Ų5647.1 Ų47.129%0.29324%0.243SC..EExtended strand (participates in β ladder)trans-119.8-51.9-170.6-62.3165.4000113C152 F210 V261C152-L169 HydrophobicContact CB-CB 4.3Å; C152-L169 PolarHBondContact O-N 3.17Å; L169-F210 CarbonylContact C-O 3.49Å; L169-F210 VanDerWaalsContact C-O 3.32Å; L169-F210 WeakPolarHBondContact CA-O 3.4Å; L169-F210 CarbonylContact O-C 3.38Å; L169-F210 PolarHBondContact O-N 3.37Å; L169-V261 HydrophobicContact CD1-CB 4.36Å; L169-V261 HydrophobicContact CD1-CG1 3.76Å; L169-V261 HydrophobicContact CD1-CG2 3.83Å
170R93.6Very high90.1Very high105 Ų10545 Ų4540%0.39624%0.241SC..EExtended strand (participates in β ladder)trans-168.9163.3172.659.6-173.2-171.117910.4112.5C152 E209 W263C152-R170 WeakPolarHBondContact CA-O 3.12Å; C152-R170 HydrophobicContact CB-CG 3.81Å; C152-R170 WeakPolarHBondContact CB-O 3.2Å; C152-R170 PolarHBondContact N-O 3.12Å; C152-R170 PolarHBondContact O-N 3.44Å; R170-E209 HydrophobicContact CB-CB 4.44Å; R170-E209 HydrophobicContact CB-CG 4.21Å; R170-W263 HydrophobicContact CG-CH2 3.94Å; R170-W263 HydrophobicContact CG-CZ2 4.47Å
171L93.4Very high90Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-92.9164.7157.8-153.570.6000109.6T149 R150 L151 L174 D207 P208 M232 L266T149-L171 HydrophobicContact CG2-CD1 4.07Å; T149-L171 HydrophobicContact CG2-CD2 3.71Å; T149-L171 HydrophobicContact CG2-CG 3.8Å; R150-L171 CarbonylContact O-C 3.41Å; R150-L171 WeakPolarHBondContact O-CA 3.43Å; R150-L171 WeakPolarHBondContact O-CD1 3.46Å; L151-L171 HydrophobicContact CB-CD1 4.11Å; L151-L171 HydrophobicContact CD1-CD1 3.83Å; L171-L174 HydrophobicContact CD2-CB 4.06Å; L171-L174 HydrophobicContact CD2-CD1 3.8Å; L171-L174 HydrophobicContact CD2-CD2 4.4Å; L171-L174 HydrophobicContact CD2-CG 4.29Å; L171-D207 WeakPolarHBondContact O-CA 3.39Å; L171-P208 HydrophobicContact CB-CG 3.86Å; L171-P208 HydrophobicContact CD2-CG 4.14Å; L171-P208 PolarHBondContact N-O 3.03Å; L171-M232 HydrophobicContact CD1-CE 3.93Å; L171-M232 HydrophobicContact CD1-CG 4.36Å; L171-M232 HydrophobicContact CD1-SD 3.56Å; L171-M232 VanDerWaalsContact CD1-SD 3.56Å; L171-M232 HydrophobicContact CD2-CE 3.82Å; L171-M232 HydrophobicContact CD2-CG 4.49Å; L171-M232 HydrophobicContact CD2-SD 4.3Å; L171-M232 HydrophobicContact CG-CE 4.39Å; L171-L266 HydrophobicContact CD1-CD1 4.37Å
172S90.3Very high90.1Very high20 Ų2041.2 Ų41.214%0.1421%0.207CC..EExtended strand (participates in β ladder)trans-145.3156.5165.8-172.30000111.1T149 R150 L174 D207T149-S172 CarbonylContact C-O 3.45Å; T149-S172 WeakPolarHBondContact CA-O 3.22Å; R150-S172 PolarHBondContact N-O 2.81Å; R150-S172 PolarHBondContact O-N 3.31Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 3.21Å; S172-D207 WeakPolarHBondContact CA-OD1 3.41Å; S172-D207 WeakPolarHBondContact CB-OD1 3.41Å; S172-D207 PolarHBondContact OG-OD1 2.84Å
173N88.1Confident90.2Very high31 Ų3138.4 Ų38.417%0.16619%0.194CC..SBendtrans54.739.2-175-53.9-42.2000114.1P143 A148 T149 L175 P206P143-N173 HydrophobicContact CB-CB 4.29Å; P143-N173 HydrophobicContact CG-CB 4.03Å; P143-N173 WeakPolarHBondContact CG-OD1 3.45Å; A148-N173 WeakPolarHBondContact O-CB 3.48Å; A148-N173 PolarHBondContact O-ND2 2.9Å; T149-N173 PolarHBondContact OG1-O 2.84Å; N173-L175 PolarHBondContact O-N 2.87Å; N173-P206 PolarHBondContact N-O 3.15Å
174L88.1Confident90.3Very high1 Ų136.2 Ų36.21%0.00518%0.184CC..  trans-59.2137.5172.8-174.356.8000110.2T149 L171 S172 F178 H179 G205 P206 P208 V244T149-L174 HydrophobicContact CG2-CD1 4.37Å; L171-L174 HydrophobicContact CD2-CB 4.06Å; L171-L174 HydrophobicContact CD2-CD1 3.8Å; L171-L174 HydrophobicContact CD2-CD2 4.4Å; L171-L174 HydrophobicContact CD2-CG 4.29Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-L174 PolarHBondContact O-N 3.21Å; L174-F178 HydrophobicContact CD1-CB 3.94Å; L174-F178 HydrophobicContact CD1-CD2 3.85Å; L174-F178 HydrophobicContact CD1-CG 4.37Å; L174-F178 HydrophobicContact CD2-CB 3.89Å; L174-F178 HydrophobicContact CG-CB 3.92Å; L174-H179 PolarHBondContact O-NE2 3.16Å; L174-G205 WeakPolarHBondContact CD2-O 3.35Å; L174-P206 WeakPolarHBondContact CB-O 3.34Å; L174-P206 PolarHBondContact N-O 2.96Å; L174-P208 HydrophobicContact CD2-CG 4.08Å; L174-V244 HydrophobicContact CD1-CG1 3.74Å; L174-V244 HydrophobicContact CD1-CG2 4.49Å
175L84.5Confident90.4Very high66 Ų6636.2 Ų36.235%0.34618%0.184SC..  trans-64.8133.2-179.4-68.5157.4000110.9N173 R177 F178N173-L175 PolarHBondContact O-N 2.87Å; L175-R177 HydrophobicContact CB-CG 4.44Å; L175-R177 PolarHBondContact O-N 2.65Å; L175-F178 HydrophobicContact CB-CD2 4.12Å; L175-F178 HydrophobicContact CD1-CE2 4.47Å; L175-F178 PolarHBondContact O-N 3.42Å
176P81.6Confident90.5Very high80 Ų8037.4 Ų37.452%0.51919%0.189SC..G310 helixtrans-50.2-34-172.2-33.236.6000116.4F178 H179P176-F178 PolarHBondContact O-N 3.02Å; P176-H179 PolarHBondContact O-N 2.94Å; P176-H179 VanDerWaalsContact O-N 3.11Å
177R82.5Confident90.5Very high159 Ų15937.4 Ų37.460%0.619%0.189SC*.G310 helixtrans-59.1-13175.970.2173.2-173.5-99.51.7115.1L175L175-R177 HydrophobicContact CB-CG 4.44Å; L175-R177 PolarHBondContact O-N 2.65Å
178F86.5Confident90.3Very high11 Ų1139.3 Ų39.35%0.04819%0.193CC..G310 helixtrans-111.9-4.1-179.5-59.5-48.2000113.3L174 L175 P176 S180 N181 S234 H242 V244L174-F178 HydrophobicContact CD1-CB 3.94Å; L174-F178 HydrophobicContact CD1-CD2 3.85Å; L174-F178 HydrophobicContact CD1-CG 4.37Å; L174-F178 HydrophobicContact CD2-CB 3.89Å; L174-F178 HydrophobicContact CG-CB 3.92Å; L175-F178 HydrophobicContact CB-CD2 4.12Å; L175-F178 HydrophobicContact CD1-CE2 4.47Å; L175-F178 PolarHBondContact O-N 3.42Å; P176-F178 PolarHBondContact O-N 3.02Å; F178-S180 PolarHBondContact O-N 2.93Å; F178-S180 VanDerWaalsContact O-N 3.15Å; F178-N181 WeakPolarHBondContact O-CB 3.3Å; F178-N181 PolarHBondContact O-N 3.11Å; F178-N181 VanDerWaalsContact O-N 3.07Å; F178-S234 VanDerWaalsContact CD1-CB 3.41Å; F178-S234 VanDerWaalsContact CD1-OG 3.27Å; F178-S234 WeakPolarHBondContact CD1-OG 3.41Å; F178-H242 HydrophobicContact CE1-CB 4.14Å; F178-V244 HydrophobicContact CD2-CG1 4.07Å; F178-V244 HydrophobicContact CD2-CG2 3.89Å; F178-V244 HydrophobicContact CE2-CB 4.1Å; F178-V244 HydrophobicContact CE2-CG1 3.89Å; F178-V244 HydrophobicContact CE2-CG2 3.71Å; F178-V244 HydrophobicContact CG-CG2 4.42Å; F178-V244 HydrophobicContact CZ-CG2 4.09Å
179H87.3Confident90.1Very high34 Ų3439.3 Ų39.316%0.15719%0.193CC..THydrogen-bonded Turntrans-62-24.2-176.6-70.3-176.5000113.8L174 P176 T204 G205 P206L174-H179 PolarHBondContact O-NE2 3.16Å; P176-H179 PolarHBondContact O-N 2.94Å; P176-H179 VanDerWaalsContact O-N 3.11Å; H179-T204 CarbonylContact O-C 3.56Å; H179-T204 WeakPolarHBondContact O-CB 3.1Å; H179-G205 PolarHBondContact CD2-O 2.91Å; H179-G205 VanDerWaalsContact CD2-O 3.31Å; H179-G205 PolarHBondContact O-N 3.07Å; H179-P206 WeakPolarHBondContact NE2-CA 3.3Å
180S85.8Confident89.8Confident75 Ų7539 Ų3952%0.52419%0.191SC..THydrogen-bonded Turntrans-84-517856.50000114.9F178F178-S180 PolarHBondContact O-N 2.93Å; F178-S180 VanDerWaalsContact O-N 3.15Å
181N88.8Confident89.1Confident13 Ų1339 Ų397%0.0721%0.205CC..SBendtrans-112.9148-161.7-63.3-9.4000111.8F178 T183 S234 V235F178-N181 WeakPolarHBondContact O-CB 3.3Å; F178-N181 PolarHBondContact O-N 3.11Å; F178-N181 VanDerWaalsContact O-N 3.07Å; N181-T183 PolarHBondContact O-N 3.03Å; N181-T183 PolarHBondContact O-OG1 2.79Å; N181-S234 WeakPolarHBondContact CB-OG 3.49Å; N181-S234 PolarHBondContact ND2-OG 2.88Å; N181-V235 WeakPolarHBondContact CB-O 3.46Å
182M92.6Very high88.2Confident74 Ų7440.5 Ų40.537%0.36521%0.213SC..EExtended strand (participates in β ladder)trans-68.6123.6176.4-179.9-173.963.200108.8K200 V235M182-K200 HydrophobicContact CE-CD 4.49Å; M182-K200 HydrophobicContact SD-CD 3.91Å; M182-K200 HydrophobicContact SD-CG 4.35Å; M182-V235 HydrophobicContact CB-CB 4.37Å; M182-V235 HydrophobicContact CE-CB 3.87Å; M182-V235 HydrophobicContact CE-CG1 3.96Å; M182-V235 HydrophobicContact CE-CG2 4.04Å; M182-V235 PolarHBondContact N-O 3.35Å; M182-V235 WeakPolarHBondContact O-CB 3.3Å; M182-V235 PolarHBondContact O-N 2.2Å
183T93.9Very high86.8Confident2 Ų245.6 Ų45.61%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-94.8136.2-174.1-650000110.7N181 A201 P208 F210 M232N181-T183 PolarHBondContact O-N 3.03Å; N181-T183 PolarHBondContact O-OG1 2.79Å; T183-A201 HydrophobicContact CG2-CB 4.25Å; T183-A201 WeakPolarHBondContact O-CB 3.06Å; T183-A201 PolarHBondContact O-N 3.11Å; T183-P208 HydrophobicContact CG2-CB 4.41Å; T183-P208 HydrophobicContact CG2-CG 3.92Å; T183-F210 HydrophobicContact CG2-CZ 4.11Å; T183-M232 HydrophobicContact CG2-CE 3.15Å
184L95Very high86.3Confident4 Ų451.7 Ų51.72%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-137.4139.8-169.8-176.986.3000110.6E186 Q198 A199 K200 M233 V235L184-E186 HydrophobicContact CD2-CG 4.1Å; L184-Q198 HydrophobicContact CD1-CB 4.36Å; L184-A199 WeakPolarHBondContact CA-O 3.5Å; L184-A199 WeakPolarHBondContact CD1-O 3.35Å; L184-K200 HydrophobicContact CD1-CG 3.58Å; L184-M233 HydrophobicContact CB-CB 4.28Å; L184-M233 HydrophobicContact CD2-CB 4.32Å; L184-M233 PolarHBondContact N-O 2.95Å; L184-M233 PolarHBondContact O-N 2.95Å; L184-V235 HydrophobicContact CB-CG2 4.06Å; L184-V235 HydrophobicContact CD2-CG2 4.28Å
185V95.3Very high85.8Confident0 Ų062.8 Ų62.80%030%0.301CS..EExtended strand (participates in β ladder)trans-111.8130.8168.7-178.80000109.5L151 L168 L187 Q198 A199 F210 L230 R231 M232L151-V185 HydrophobicContact CD1-CG2 4.48Å; L168-V185 HydrophobicContact CD1-CB 3.82Å; L168-V185 HydrophobicContact CD1-CG1 3.95Å; L168-V185 HydrophobicContact CD1-CG2 4.09Å; V185-L187 HydrophobicContact CB-CD1 4.37Å; V185-L187 HydrophobicContact CG1-CD1 3.78Å; V185-L187 HydrophobicContact CG1-CG 4.04Å; V185-Q198 VanDerWaalsContact O-CA 3.3Å; V185-Q198 WeakPolarHBondContact O-CA 3.44Å; V185-A199 PolarHBondContact N-O 2.71Å; V185-A199 PolarHBondContact O-N 2.64Å; V185-F210 HydrophobicContact CB-CE1 4.44Å; V185-F210 HydrophobicContact CG2-CE1 3.75Å; V185-F210 HydrophobicContact CG2-CE2 4.02Å; V185-F210 HydrophobicContact CG2-CZ 3.47Å; V185-F210 VanDerWaalsContact CG2-CZ 3.47Å; V185-L230 HydrophobicContact CG1-CB 4.26Å; V185-R231 CarbonylContact C-O 3.58Å; V185-R231 WeakPolarHBondContact CA-O 3.36Å; V185-M232 HydrophobicContact CG2-CE 3.73Å; V185-M232 HydrophobicContact CG2-SD 3.68Å
186E94.2Very high86Confident29 Ų2961.6 Ų61.614%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-107.9119.9170-48.8-172.5150.600109.5L184 R197 Q198 R231 M233 R241L184-E186 HydrophobicContact CD2-CG 4.1Å; E186-R197 CarbonylContact C-O 3.38Å; E186-R197 WeakPolarHBondContact CA-O 3.41Å; E186-Q198 HydrophobicContact CB-CG 4.48Å; E186-Q198 HydrophobicContact CG-CG 4.19Å; E186-Q198 PolarHBondContact OE1-NE2 2.74Å; E186-R231 HydrophobicContact CB-CB 4.3Å; E186-R231 PolarHBondContact N-O 2.83Å; E186-R231 WeakPolarHBondContact O-CB 3.28Å; E186-R231 PolarHBondContact O-N 2.73Å; E186-R231 IonicContact OE2-NH1 2.14Å; E186-M233 HydrophobicContact CG-CG 4.18Å; E186-R241 IonicContact OE1-CZ 3.73Å; E186-R241 IonicContact OE1-NH1 3.36Å; E186-R241 PolarHBondContact OE1-NH1 3.1Å
187L94.9Very high86.5Confident0 Ų063.1 Ų63.10%029%0.292CS..EExtended strand (participates in β ladder)trans-107.1131.8-177.3-55.183.4000110.3V166 L168 V185 P196 R197 L214 F216 R229 L230V166-L187 HydrophobicContact CB-CD2 4.19Å; V166-L187 HydrophobicContact CG1-CD2 3.76Å; L168-L187 HydrophobicContact CD1-CD1 4.14Å; V185-L187 HydrophobicContact CB-CD1 4.37Å; V185-L187 HydrophobicContact CG1-CD1 3.78Å; V185-L187 HydrophobicContact CG1-CG 4.04Å; L187-P196 CarbonylContact O-C 3.59Å; L187-P196 VanDerWaalsContact O-CA 3.28Å; L187-P196 WeakPolarHBondContact O-CA 3.36Å; L187-R197 PolarHBondContact N-O 2.85Å; L187-R197 PolarHBondContact O-N 2.86Å; L187-L214 HydrophobicContact CD1-CD1 4.08Å; L187-L214 HydrophobicContact CD1-CD2 4.02Å; L187-L214 HydrophobicContact CD2-CD1 4.03Å; L187-F216 HydrophobicContact CB-CE2 4.37Å; L187-F216 HydrophobicContact CB-CZ 3.87Å; L187-F216 HydrophobicContact CD2-CE2 4.47Å; L187-R229 WeakPolarHBondContact CA-O 3.36Å; L187-L230 HydrophobicContact CD2-CD2 4.04Å; L187-L230 HydrophobicContact CG-CD2 4.38Å
188R91.9Very high87.1Confident64 Ų6459.3 Ų59.324%0.24228%0.282CS..EExtended strand (participates in β ladder)trans-140.8138172.5-157.1-165.6-72.7-155.5-11.6110.5D192 D193 P196 R229R188-D192 WeakPolarHBondContact CD-O 3.15Å; R188-D193 IonicContact CZ-OD1 3.32Å; R188-D193 IonicContact NH1-OD1 2.71Å; R188-D193 PolarHBondContact NH1-OD1 3.32Å; R188-P196 HydrophobicContact CB-CB 4.48Å; R188-R229 PolarHBondContact N-O 2.8Å; R188-R229 PolarHBondContact O-N 2.7Å
189L91Very high87.5Confident2 Ų259 Ų591%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-77.4140.9162.9-68.2173.7000108.8L164 D192 F216 I218 F226 K227 L228 L251L164-L189 HydrophobicContact CD2-CD2 3.94Å; L189-D192 HydrophobicContact CB-CB 4.09Å; L189-D192 PolarHBondContact O-N 3.03Å; L189-F216 HydrophobicContact CD1-CB 3.78Å; L189-F216 HydrophobicContact CD1-CD1 3.74Å; L189-F216 HydrophobicContact CD1-CG 3.89Å; L189-F216 HydrophobicContact CG-CD1 3.9Å; L189-F216 HydrophobicContact CG-CE1 4.23Å; L189-F216 HydrophobicContact CG-CG 4.21Å; L189-I218 HydrophobicContact CD1-CG2 3.54Å; L189-F226 HydrophobicContact CB-CD1 4.22Å; L189-K227 CarbonylContact C-O 3.6Å; L189-L228 HydrophobicContact CD2-CB 4.16Å; L189-L228 HydrophobicContact CD2-CD1 4.09Å; L189-L251 HydrophobicContact CD2-CD1 4.07Å
190L85.9Confident87.8Confident50 Ų5063.2 Ų63.226%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-116.2130.9175.2-59.3178.2000107.8F226 K227 R229 L248L190-F226 WeakPolarHBondContact O-CA 3.38Å; L190-F226 WeakPolarHBondContact O-CD1 3.41Å; L190-K227 PolarHBondContact N-O 2.8Å; L190-K227 PolarHBondContact O-N 2.9Å; L190-R229 HydrophobicContact CD1-CB 3.97Å; L190-R229 HydrophobicContact CG-CB 4.27Å; L190-L248 HydrophobicContact CD1-CD2 4.28Å
191P79.3Confident88.2Confident105 Ų10560.3 Ų60.368%0.68228%0.279SS*.SBendcis-891114.635.3-38.1000117D193P191-D193 PolarHBondContact O-N 2.86Å
192D75.8Confident88.3Confident30 Ų3066.9 Ų66.916%0.1630%0.303CS..  trans-61.8117.3-176.3-170.22.3000113.1R188 L189 R194 F226R188-D192 WeakPolarHBondContact CD-O 3.15Å; L189-D192 HydrophobicContact CB-CB 4.09Å; L189-D192 PolarHBondContact O-N 3.03Å; D192-R194 VanDerWaalsContact C-N 3.29Å; D192-R194 PolarHBondContact O-N 2.97Å; D192-R194 WeakPolarHBondContact OD1-CB 3.4Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 PolarHBondContact OD1-N 2.79Å; D192-R194 VanDerWaalsContact OD1-N 3.07Å; D192-R194 IonicContact OD1-NE 3.25Å; D192-R194 VanDerWaalsContact OD2-CD 3.22Å; D192-R194 WeakPolarHBondContact OD2-CD 3.36Å; D192-R194 IonicContact OD2-CZ 2.71Å; D192-R194 IonicContact OD2-NE 2.73Å; D192-R194 IonicContact OD2-NH1 3.05Å; D192-R194 PolarHBondContact OD2-NH1 3.04Å; D192-F226 HydrophobicContact CB-CE1 3.96Å
193D60.8Low88Confident128 Ų12866 Ų6668%0.68431%0.313SS*.  trans-89.715.4178.3-159.240.8000113.7R188 P191R188-D193 IonicContact CZ-OD1 3.32Å; R188-D193 IonicContact NH1-OD1 2.71Å; R188-D193 PolarHBondContact NH1-OD1 3.32Å; P191-D193 PolarHBondContact O-N 2.86Å
194R77.5Confident87.8Confident159 Ų15970.2 Ų70.260%0.634%0.339SS*.SBendtrans-54.2150.7165.2-76.4174.9-160.4145.9-11.8111.5D192D192-R194 VanDerWaalsContact C-N 3.29Å; D192-R194 PolarHBondContact O-N 2.97Å; D192-R194 WeakPolarHBondContact OD1-CB 3.4Å; D192-R194 WeakPolarHBondContact OD1-CG 3.49Å; D192-R194 PolarHBondContact OD1-N 2.79Å; D192-R194 VanDerWaalsContact OD1-N 3.07Å; D192-R194 IonicContact OD1-NE 3.25Å; D192-R194 VanDerWaalsContact OD2-CD 3.22Å; D192-R194 WeakPolarHBondContact OD2-CD 3.36Å; D192-R194 IonicContact OD2-CZ 2.71Å; D192-R194 IonicContact OD2-NE 2.73Å; D192-R194 IonicContact OD2-NH1 3.05Å; D192-R194 PolarHBondContact OD2-NH1 3.04Å
195R77Confident87.5Confident234 Ų23470.6 Ų70.688%0.88334%0.343SS*.PPolyproline II helixtrans-51.6131.8178.5-66.1-174.5178.3-164.40.4110.5
196P88.4Confident87.1Confident40 Ų4072.8 Ų72.826%0.2636%0.358SS..PPolyproline II helixtrans-64.3139.1-179.727.8-34.5000110.5L187 R188L187-P196 CarbonylContact O-C 3.59Å; L187-P196 VanDerWaalsContact O-CA 3.28Å; L187-P196 WeakPolarHBondContact O-CA 3.36Å; R188-P196 HydrophobicContact CB-CB 4.48Å
197R92.3Very high86.9Confident112 Ų11274.8 Ų74.842%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-77.3145.8170.2-57.5-173.9-176.8-110.6-2.6108.4E186 L187 L214 I215 F216E186-R197 CarbonylContact C-O 3.38Å; E186-R197 WeakPolarHBondContact CA-O 3.41Å; L187-R197 PolarHBondContact N-O 2.85Å; L187-R197 PolarHBondContact O-N 2.86Å; R197-L214 HydrophobicContact CB-CD2 3.66Å; R197-I215 PolarHBondContact NE-O 3.27Å; R197-I215 PolarHBondContact NH1-O 2.94Å; R197-I215 PolarHBondContact NH2-O 3.37Å; R197-F216 HydrophobicContact CB-CZ 4.26Å; R197-F216 HydrophobicContact CG-CE1 3.93Å; R197-F216 HydrophobicContact CG-CZ 3.94Å
198Q94.2Very high86.8Confident80 Ų8075 Ų7537%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-130.3139-176.3-52.1-158.3-15.900111L184 V185 E186L184-Q198 HydrophobicContact CD1-CB 4.36Å; V185-Q198 VanDerWaalsContact O-CA 3.3Å; V185-Q198 WeakPolarHBondContact O-CA 3.44Å; E186-Q198 HydrophobicContact CB-CG 4.48Å; E186-Q198 HydrophobicContact CG-CG 4.19Å; E186-Q198 PolarHBondContact OE1-NE2 2.74Å
199A95.2Very high86.9Confident3 Ų376.3 Ų76.33%0.02538%0.38CS..EExtended strand (participates in β ladder)trans-126.7142.1174.500000109.8L168 L184 V185 F210 D212 L214L168-A199 HydrophobicContact CD1-CB 3.62Å; L184-A199 WeakPolarHBondContact CA-O 3.5Å; L184-A199 WeakPolarHBondContact CD1-O 3.35Å; V185-A199 PolarHBondContact N-O 2.71Å; V185-A199 PolarHBondContact O-N 2.64Å; A199-F210 HydrophobicContact CB-CD1 4.34Å; A199-D212 HydrophobicContact CB-CB 3.9Å; A199-L214 HydrophobicContact CB-CD1 4.25Å
200K94.8Very high86.9Confident123 Ų12376.2 Ų76.254%0.53538%0.379SS..EExtended strand (participates in β ladder)trans-108136.4180-71.1176.8177.7-177.60109.4M182 L184M182-K200 HydrophobicContact CE-CD 4.49Å; M182-K200 HydrophobicContact SD-CD 3.91Å; M182-K200 HydrophobicContact SD-CG 4.35Å; L184-K200 HydrophobicContact CD1-CG 3.58Å
201A93.8Very high87Confident15 Ų1578.3 Ų78.312%0.12439%0.39CS..  trans-67.1155.1174.300000111.7T183 P208 E209 F210T183-A201 HydrophobicContact CG2-CB 4.25Å; T183-A201 WeakPolarHBondContact O-CB 3.06Å; T183-A201 PolarHBondContact O-N 3.11Å; A201-P208 HydrophobicContact CB-CB 3.82Å; A201-E209 CarbonylContact C-O 3.56Å; A201-E209 WeakPolarHBondContact CA-O 3.49Å; A201-F210 HydrophobicContact CB-CD1 4.29Å; A201-F210 HydrophobicContact CB-CE1 3.77Å; A201-F210 HydrophobicContact CB-CE2 4.25Å; A201-F210 HydrophobicContact CB-CZ 3.73Å; A201-F210 VanDerWaalsContact N-CE1 3.31Å
202R90.8Very high87.8Confident151 Ų15175.4 Ų75.457%0.5737%0.369SS*.BIsolated β-bridgetrans-97.6122.9170.8-57.2179.4-169.9-129.64.6107.4E209 N211R202-E209 PolarHBondContact N-O 2.69Å; R202-N211 PolarHBondContact NH2-O 3Å
203G86.6Confident88.6Confident55 Ų5578.3 Ų78.357%0.56739%0.391SS*.SBendtrans76.8-175.7-17300000114.3
204T88.9Confident90.2Very high90 Ų9073.2 Ų73.255%0.55236%0.363SS*.  trans-148.3135.6-176.154.40000108.6H179H179-T204 CarbonylContact O-C 3.56Å; H179-T204 WeakPolarHBondContact O-CB 3.1Å
205G88.6Confident90.9Very high12 Ų1268.8 Ų68.812%0.12435%0.351CS..SBendtrans158-158.1-175.200000112.6L174 H179L174-G205 WeakPolarHBondContact CD2-O 3.35Å; H179-G205 PolarHBondContact CD2-O 2.91Å; H179-G205 VanDerWaalsContact CD2-O 3.31Å; H179-G205 PolarHBondContact O-N 3.07Å
206P86.5Confident91.7Very high46 Ų4658.2 Ų58.230%0.29931%0.312SS..SBendtrans-71.9-32.7176.626.9-33.1000114.2N173 L174 H179 P208N173-P206 PolarHBondContact N-O 3.15Å; L174-P206 WeakPolarHBondContact CB-O 3.34Å; L174-P206 PolarHBondContact N-O 2.96Å; H179-P206 WeakPolarHBondContact NE2-CA 3.3Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å
207D90.4Very high91.8Very high71 Ų7161.1 Ų61.138%0.3832%0.322SS..SBendtrans-126.660.5-173.3-54.7-88.6000111.8L171 S172 E209L171-D207 WeakPolarHBondContact O-CA 3.39Å; S172-D207 WeakPolarHBondContact CA-OD1 3.41Å; S172-D207 WeakPolarHBondContact CB-OD1 3.41Å; S172-D207 PolarHBondContact OG-OD1 2.84Å; D207-E209 PolarHBondContact O-N 2.81Å
208P92.6Very high91.7Very high4 Ų456.2 Ų56.23%0.02630%0.304CS..  trans-64.6129.9-177.725.9-34.3000112L171 L174 T183 A201 P206L171-P208 HydrophobicContact CB-CG 3.86Å; L171-P208 HydrophobicContact CD2-CG 4.14Å; L171-P208 PolarHBondContact N-O 3.03Å; L174-P208 HydrophobicContact CD2-CG 4.08Å; T183-P208 HydrophobicContact CG2-CB 4.41Å; T183-P208 HydrophobicContact CG2-CG 3.92Å; A201-P208 HydrophobicContact CB-CB 3.82Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å
209E93.8Very high91.4Very high93 Ų9355.6 Ų55.644%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-90.6151.6-172.7-61.3-161.6142.800113.2R170 A201 R202 D207R170-E209 HydrophobicContact CB-CB 4.44Å; R170-E209 HydrophobicContact CB-CG 4.21Å; A201-E209 CarbonylContact C-O 3.56Å; A201-E209 WeakPolarHBondContact CA-O 3.49Å; R202-E209 PolarHBondContact N-O 2.69Å; D207-E209 PolarHBondContact O-N 2.81Å
210F91.6Very high91Very high0 Ų058.9 Ų58.90%032%0.322CS..EExtended strand (participates in β ladder)trans-123.7146.1172.4-65-86.7000108.7L168 L169 T183 V185 A199 A201 M232L168-F210 HydrophobicContact CB-CB 3.51Å; L168-F210 HydrophobicContact CB-CD1 4.49Å; L168-F210 HydrophobicContact CB-CG 3.99Å; L168-F210 HydrophobicContact CD1-CD1 4.32Å; L168-F210 CarbonylContact O-C 3.51Å; L168-F210 VanDerWaalsContact O-C 3.3Å; L168-F210 VanDerWaalsContact O-O 3.08Å; L169-F210 CarbonylContact C-O 3.49Å; L169-F210 VanDerWaalsContact C-O 3.32Å; L169-F210 WeakPolarHBondContact CA-O 3.4Å; L169-F210 CarbonylContact O-C 3.38Å; L169-F210 PolarHBondContact O-N 3.37Å; T183-F210 HydrophobicContact CG2-CZ 4.11Å; V185-F210 HydrophobicContact CB-CE1 4.44Å; V185-F210 HydrophobicContact CG2-CE1 3.75Å; V185-F210 HydrophobicContact CG2-CE2 4.02Å; V185-F210 HydrophobicContact CG2-CZ 3.47Å; V185-F210 VanDerWaalsContact CG2-CZ 3.47Å; A199-F210 HydrophobicContact CB-CD1 4.34Å; A201-F210 HydrophobicContact CB-CD1 4.29Å; A201-F210 HydrophobicContact CB-CE1 3.77Å; A201-F210 HydrophobicContact CB-CE2 4.25Å; A201-F210 HydrophobicContact CB-CZ 3.73Å; A201-F210 VanDerWaalsContact N-CE1 3.31Å; F210-M232 HydrophobicContact CE2-CE 3.99Å; F210-M232 HydrophobicContact CZ-CE 3.69Å
211N88.9Confident90.7Very high93 Ų9360 Ų6050%0.49733%0.334SS..EExtended strand (participates in β ladder)trans-144.564.1174.8-83.3-81.3000106.8R202R202-N211 PolarHBondContact NH2-O 3Å
212D94.2Very high90.3Very high44 Ų4460.8 Ų60.824%0.23534%0.338CS..EExtended strand (participates in β ladder)trans-140.3118.6-161.4-65.8-99.3000109.7L168 A199 L214L168-D212 PolarHBondContact N-O 3.13Å; A199-D212 HydrophobicContact CB-CB 3.9Å; D212-L214 HydrophobicContact CB-CD1 4.35Å
213C93Very high90.2Very high91 Ų9154.2 Ų54.262%0.61531%0.314SS*.EExtended strand (participates in β ladder)trans-107.8118.2-179.3-61.10000109.8V166V166-C213 WeakPolarHBondContact O-CA 3.22Å
214L94.3Very high90.2Very high21 Ų2153.7 Ų53.711%0.1130%0.301CS..EExtended strand (participates in β ladder)trans-116.2118.5-174-55.4105.8000110.2V166 L168 L187 R197 A199 D212V166-L214 PolarHBondContact N-O 3.46Å; V166-L214 PolarHBondContact O-N 2.87Å; L168-L214 HydrophobicContact CD1-CD1 3.97Å; L168-L214 HydrophobicContact CG-CD1 4.15Å; L187-L214 HydrophobicContact CD1-CD1 4.08Å; L187-L214 HydrophobicContact CD1-CD2 4.02Å; L187-L214 HydrophobicContact CD2-CD1 4.03Å; R197-L214 HydrophobicContact CB-CD2 3.66Å; A199-L214 HydrophobicContact CB-CD1 4.25Å; D212-L214 HydrophobicContact CB-CD1 4.35Å
215I93.5Very high90.1Very high66 Ų6658.1 Ų58.134%0.33831%0.309SS..EExtended strand (participates in β ladder)trans-104119.9-171.7-51.4179.2000110.3Q163 L164 V165 R197Q163-I215 HydrophobicContact CB-CG2 3.75Å; Q163-I215 HydrophobicContact CG-CG2 3.6Å; L164-I215 CarbonylContact O-C 3.39Å; L164-I215 WeakPolarHBondContact O-CA 3.49Å; V165-I215 HydrophobicContact CG1-CG1 4.38Å; V165-I215 HydrophobicContact CG2-CG1 4.25Å; V165-I215 HydrophobicContact CG2-CG2 4.41Å; R197-I215 PolarHBondContact NE-O 3.27Å; R197-I215 PolarHBondContact NH1-O 2.94Å; R197-I215 PolarHBondContact NH2-O 3.37Å
216F92.3Very high90.1Very high13 Ų1359.2 Ų59.26%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-102.2132.4171.5-61.9-99000110.2Q163 L164 V166 L187 L189 R197 L228Q163-F216 WeakPolarHBondContact CA-O 3.46Å; L164-F216 HydrophobicContact CB-CB 4.35Å; L164-F216 PolarHBondContact N-O 3.13Å; L164-F216 PolarHBondContact O-N 3.21Å; V166-F216 HydrophobicContact CG2-CD2 4.27Å; V166-F216 HydrophobicContact CG2-CE2 4.2Å; L187-F216 HydrophobicContact CB-CE2 4.37Å; L187-F216 HydrophobicContact CB-CZ 3.87Å; L187-F216 HydrophobicContact CD2-CE2 4.47Å; L189-F216 HydrophobicContact CD1-CB 3.78Å; L189-F216 HydrophobicContact CD1-CD1 3.74Å; L189-F216 HydrophobicContact CD1-CG 3.89Å; L189-F216 HydrophobicContact CG-CD1 3.9Å; L189-F216 HydrophobicContact CG-CE1 4.23Å; L189-F216 HydrophobicContact CG-CG 4.21Å; R197-F216 HydrophobicContact CB-CZ 4.26Å; R197-F216 HydrophobicContact CG-CE1 3.93Å; R197-F216 HydrophobicContact CG-CZ 3.94Å; F216-L228 HydrophobicContact CE2-CD1 4.2Å; F216-L228 HydrophobicContact CZ-CD1 4.4Å
217Q91.3Very high90.3Very high101 Ų10162.4 Ų62.447%0.47232%0.319SS..EExtended strand (participates in β ladder)trans-86.5110.8175.2-161.372.935.100108.7S161 E162S161-Q217 PolarHBondContact O-NE2 2.9Å; E162-Q217 PolarHBondContact O-NE2 3.22Å; E162-Q217 VanDerWaalsContact O-NE2 3.08Å
218I89.8Confident90.5Very high8 Ų859 Ų594%0.04130%0.301CS..  trans-142.7139.1178.361.4176.9000110.1Y157 E162 L164 L189 I223 F226 L251Y157-I218 HydrophobicContact CD2-CG1 4.46Å; Y157-I218 HydrophobicContact CE2-CG1 3.96Å; Y157-I218 WeakPolarHBondContact CE2-O 3.15Å; Y157-I218 PolarHBondContact OH-O 3.24Å; E162-I218 CarbonylContact C-O 3.57Å; E162-I218 PolarHBondContact O-N 3.35Å; L164-I218 HydrophobicContact CB-CD1 3.82Å; L164-I218 HydrophobicContact CB-CG1 4.03Å; L164-I218 HydrophobicContact CD1-CD1 4.5Å; L164-I218 HydrophobicContact CD2-CD1 4.12Å; L164-I218 HydrophobicContact CG-CD1 4.38Å; L189-I218 HydrophobicContact CD1-CG2 3.54Å; I218-I223 HydrophobicContact CD1-CG1 4.21Å; I218-F226 HydrophobicContact CG2-CD2 4.39Å; I218-F226 HydrophobicContact CG2-CE2 4.26Å; I218-L251 HydrophobicContact CD1-CD1 3.67Å
219T89.6Confident90.5Very high67 Ų6761.9 Ų61.941%0.41131%0.311SS..  trans-78.4145.1179.8-67.20000111.5E162 L221 S222E162-T219 VanDerWaalsContact CD-CA 3.48Å; E162-T219 VanDerWaalsContact OE1-CA 3.31Å; E162-T219 WeakPolarHBondContact OE1-CA 3.43Å; E162-T219 WeakPolarHBondContact OE1-CG2 3.44Å; E162-T219 VanDerWaalsContact OE2-CA 3.28Å; E162-T219 WeakPolarHBondContact OE2-CA 3.44Å; E162-T219 VanDerWaalsContact OE2-CB 3.22Å; E162-T219 WeakPolarHBondContact OE2-CB 3.48Å; E162-T219 WeakPolarHBondContact OE2-CG2 3.37Å; E162-T219 PolarHBondContact OE2-OG1 3.34Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 HydrophobicContact CG2-CB 4.34Å; T219-L221 HydrophobicContact CG2-CG 4.5Å; T219-L221 PolarHBondContact O-N 3.11Å; T219-L221 VanDerWaalsContact O-N 3.17Å; T219-S222 PolarHBondContact N-OG 2.85Å; T219-S222 WeakPolarHBondContact O-CA 3.48Å; T219-S222 WeakPolarHBondContact O-CB 3.3Å; T219-S222 PolarHBondContact O-N 3.22Å; T219-S222 PolarHBondContact O-OG 2.88Å
220N86.3Confident90.5Very high72 Ų7257.5 Ų57.539%0.38529%0.291SS..G310 helixtrans-54.6-41.7-172.7-167.917.4000112.5Y157 H159 E162 S222 I223Y157-N220 HydrophobicContact CE1-CB 4.12Å; Y157-N220 WeakPolarHBondContact OH-CA 3.34Å; Y157-N220 PolarHBondContact OH-N 3.25Å; H159-N220 PolarHBondContact ND1-ND2 3.11Å; E162-N220 PolarHBondContact OE1-N 2.93Å; N220-S222 PolarHBondContact O-N 2.85Å; N220-S222 VanDerWaalsContact O-N 3.13Å; N220-I223 WeakPolarHBondContact O-CB 3.16Å; N220-I223 WeakPolarHBondContact O-CG1 3.3Å; N220-I223 PolarHBondContact O-N 3.24Å; N220-I223 WeakPolarHBondContact OD1-CD1 3.48Å
221L87.7Confident90.6Very high148 Ų14859.9 Ų59.978%0.77530%0.3SS*.G310 helixtrans-60.5-21176.8-59.4175.1000114.2T219T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 HydrophobicContact CG2-CB 4.34Å; T219-L221 HydrophobicContact CG2-CG 4.5Å; T219-L221 PolarHBondContact O-N 3.11Å; T219-L221 VanDerWaalsContact O-N 3.17Å
222S86.3Confident90.8Very high30 Ų3055.5 Ų55.521%0.2128%0.277CS..G310 helixtrans-92.4-15.6-177.272.50000114T219 N220 Y225 F226T219-S222 PolarHBondContact N-OG 2.85Å; T219-S222 WeakPolarHBondContact O-CA 3.48Å; T219-S222 WeakPolarHBondContact O-CB 3.3Å; T219-S222 PolarHBondContact O-N 3.22Å; T219-S222 PolarHBondContact O-OG 2.88Å; N220-S222 PolarHBondContact O-N 2.85Å; N220-S222 VanDerWaalsContact O-N 3.13Å; S222-Y225 PolarHBondContact O-N 2.86Å; S222-Y225 VanDerWaalsContact O-N 3.16Å; S222-F226 VanDerWaalsContact O-CD2 3.27Å; S222-F226 WeakPolarHBondContact O-CD2 3.47Å; S222-F226 WeakPolarHBondContact OG-CE2 3.27Å
223I87.1Confident90.7Very high13 Ų1353.5 Ų53.57%0.06727%0.266CS..G310 helixtrans-48.4-51.9-176.8-67.6-179.8000113.6Y157 I218 N220 Y225 F226 L251 L255Y157-I223 HydrophobicContact CD1-CD1 3.7Å; Y157-I223 HydrophobicContact CD2-CD1 3.89Å; Y157-I223 HydrophobicContact CE1-CD1 3.72Å; Y157-I223 HydrophobicContact CE2-CD1 3.92Å; Y157-I223 HydrophobicContact CG-CD1 3.78Å; I218-I223 HydrophobicContact CD1-CG1 4.21Å; N220-I223 WeakPolarHBondContact O-CB 3.16Å; N220-I223 WeakPolarHBondContact O-CG1 3.3Å; N220-I223 PolarHBondContact O-N 3.24Å; N220-I223 WeakPolarHBondContact OD1-CD1 3.48Å; I223-Y225 PolarHBondContact O-N 2.87Å; I223-Y225 VanDerWaalsContact O-N 3.15Å; I223-F226 PolarHBondContact O-N 2.95Å; I223-L251 HydrophobicContact CG2-CB 3.73Å; I223-L255 HydrophobicContact CD1-CD2 4.48Å
224P87.4Confident90.6Very high45 Ų4549.1 Ų49.129%0.29224%0.237SC..G310 helixtrans-63.5-25.7-174.123.6-34000113.8F226 E252P224-F226 VanDerWaalsContact C-N 3.33Å; P224-E252 HydrophobicContact CB-CB 4.21Å; P224-E252 HydrophobicContact CB-CG 4Å; P224-E252 WeakPolarHBondContact CB-OE1 3.26Å
225Y86.6Confident90.4Very high182 Ų18248.8 Ų48.871%0.71424%0.235SC*.G310 helixtrans-81.1-11.5179.1-52.8-76.7000113.6S222 I223S222-Y225 PolarHBondContact O-N 2.86Å; S222-Y225 VanDerWaalsContact O-N 3.16Å; I223-Y225 PolarHBondContact O-N 2.87Å; I223-Y225 VanDerWaalsContact O-N 3.15Å
226F89.4Confident90.2Very high36 Ų3648.3 Ų48.316%0.15823%0.231CC..  trans-102.3143.5-175.2-79.6-58.4000113.4L189 L190 D192 I218 S222 I223 P224 L251L189-F226 HydrophobicContact CB-CD1 4.22Å; L190-F226 WeakPolarHBondContact O-CA 3.38Å; L190-F226 WeakPolarHBondContact O-CD1 3.41Å; D192-F226 HydrophobicContact CB-CE1 3.96Å; I218-F226 HydrophobicContact CG2-CD2 4.39Å; I218-F226 HydrophobicContact CG2-CE2 4.26Å; S222-F226 VanDerWaalsContact O-CD2 3.27Å; S222-F226 WeakPolarHBondContact O-CD2 3.47Å; S222-F226 WeakPolarHBondContact OG-CE2 3.27Å; I223-F226 PolarHBondContact O-N 2.95Å; P224-F226 VanDerWaalsContact C-N 3.33Å; F226-L251 HydrophobicContact CB-CD1 3.79Å; F226-L251 HydrophobicContact CB-CG 4.41Å; F226-L251 WeakPolarHBondContact O-CB 3.44Å; F226-L251 WeakPolarHBondContact O-CG 3.48Å; F226-L251 PolarHBondContact O-N 2.97Å; F226-L251 VanDerWaalsContact O-N 3.11Å
227K91.4Very high90Very high113 Ų11357.2 Ų57.249%0.49127%0.27SS..EExtended strand (participates in β ladder)trans-127.3128.3172.1-52.8-170.1179.2-177.40109.9L189 L190 P250L189-K227 CarbonylContact C-O 3.6Å; L190-K227 PolarHBondContact N-O 2.8Å; L190-K227 PolarHBondContact O-N 2.9Å; K227-P250 HydrophobicContact CG-CB 4.44Å
228L92.9Very high89.7Confident0 Ų057.9 Ų57.90%028%0.277CS..EExtended strand (participates in β ladder)trans-82.4116.5175.5177.567.5000109.5V155 V166 L189 F216 L230 F249 L251V155-L228 HydrophobicContact CG2-CD2 4.05Å; V166-L228 HydrophobicContact CB-CD2 4.46Å; V166-L228 HydrophobicContact CG1-CD2 4Å; V166-L228 HydrophobicContact CG2-CD1 4.35Å; V166-L228 HydrophobicContact CG2-CD2 3.57Å; L189-L228 HydrophobicContact CD2-CB 4.16Å; L189-L228 HydrophobicContact CD2-CD1 4.09Å; F216-L228 HydrophobicContact CE2-CD1 4.2Å; F216-L228 HydrophobicContact CZ-CD1 4.4Å; L228-L230 HydrophobicContact CD2-CD1 3.94Å; L228-L230 HydrophobicContact CD2-CD2 4.47Å; L228-L230 HydrophobicContact CD2-CG 4.31Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 4.18Å; L228-F249 HydrophobicContact CB-CB 4.32Å; L228-F249 HydrophobicContact CB-CD1 4.34Å; L228-F249 HydrophobicContact CD2-CD1 4.45Å; L228-F249 PolarHBondContact N-O 3Å; L228-F249 PolarHBondContact O-N 2.88Å; L228-L251 HydrophobicContact CB-CD2 4.15Å
229R92.4Very high89.2Confident63 Ų6359.8 Ų59.824%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-96.1122168.8-179.617462.7-172-1.5109.4L187 R188 L190 V247 L248L187-R229 WeakPolarHBondContact CA-O 3.36Å; R188-R229 PolarHBondContact N-O 2.8Å; R188-R229 PolarHBondContact O-N 2.7Å; L190-R229 HydrophobicContact CD1-CB 3.97Å; L190-R229 HydrophobicContact CG-CB 4.27Å; R229-V247 WeakPolarHBondContact CA-O 3.27Å; R229-L248 HydrophobicContact CB-CD2 3.74Å; R229-L248 HydrophobicContact CG-CD2 3.76Å
230L94.5Very high88.9Confident1 Ų161.2 Ų61.21%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-106.9114.8169.1-51.298.2000107.8L151 F153 V166 L168 V185 L187 L228 R246 V247 F249L151-L230 HydrophobicContact CD2-CB 4.01Å; L151-L230 HydrophobicContact CD2-CD2 4.01Å; F153-L230 HydrophobicContact CD2-CD2 4.19Å; F153-L230 HydrophobicContact CE2-CD1 4.04Å; F153-L230 HydrophobicContact CE2-CD2 4.44Å; F153-L230 HydrophobicContact CG-CD2 4.35Å; F153-L230 HydrophobicContact CZ-CD1 4.05Å; V166-L230 HydrophobicContact CG1-CD2 4.27Å; L168-L230 HydrophobicContact CD2-CD2 3.81Å; V185-L230 HydrophobicContact CG1-CB 4.26Å; L187-L230 HydrophobicContact CD2-CD2 4.04Å; L187-L230 HydrophobicContact CG-CD2 4.38Å; L228-L230 HydrophobicContact CD2-CD1 3.94Å; L228-L230 HydrophobicContact CD2-CD2 4.47Å; L228-L230 HydrophobicContact CD2-CG 4.31Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 4.18Å; L230-R246 CarbonylContact O-C 3.34Å; L230-R246 VanDerWaalsContact O-CA 3.3Å; L230-R246 WeakPolarHBondContact O-CA 3.49Å; L230-V247 HydrophobicContact CB-CB 4.41Å; L230-V247 HydrophobicContact CD1-CB 4.13Å; L230-V247 HydrophobicContact CD1-CG1 4.28Å; L230-V247 PolarHBondContact N-O 2.91Å; L230-V247 PolarHBondContact O-N 3.28Å; L230-F249 HydrophobicContact CD1-CB 4.42Å
231R92.8Very high88.9Confident50 Ų5063.3 Ų63.319%0.18930%0.302CS..EExtended strand (participates in β ladder)trans-105.1129.4-177.8-173.8-173.9-163.7-149.7-2110V185 E186 M233 E269V185-R231 CarbonylContact C-O 3.58Å; V185-R231 WeakPolarHBondContact CA-O 3.36Å; E186-R231 HydrophobicContact CB-CB 4.3Å; E186-R231 PolarHBondContact N-O 2.83Å; E186-R231 WeakPolarHBondContact O-CB 3.28Å; E186-R231 PolarHBondContact O-N 2.73Å; E186-R231 IonicContact OE2-NH1 2.14Å; R231-M233 HydrophobicContact CG-CG 4.45Å; R231-M233 HydrophobicContact CG-SD 3.95Å; R231-E269 IonicContact CZ-OE1 2.24Å; R231-E269 IonicContact CZ-OE2 2.91Å; R231-E269 VanDerWaalsContact NE-CD 3.31Å; R231-E269 IonicContact NE-OE1 3.28Å; R231-E269 PolarHBondContact NE-OE1 2.81Å; R231-E269 VanDerWaalsContact NE-OE1 3.1Å; R231-E269 IonicContact NE-OE2 3.97Å; R231-E269 PolarHBondContact NE-OE2 3Å; R231-E269 IonicContact NH2-OE2 2.73Å; R231-E269 PolarHBondContact NH2-OE2 2.82Å
232M93.3Very high88.8Confident1 Ų159.5 Ų59.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-99.6121.7-175.2-159.579.3-146.100110.9L151 L171 T183 V185 F210 V244 G245 L266L151-M232 HydrophobicContact CD1-SD 4.33Å; L171-M232 HydrophobicContact CD1-CE 3.93Å; L171-M232 HydrophobicContact CD1-CG 4.36Å; L171-M232 HydrophobicContact CD1-SD 3.56Å; L171-M232 VanDerWaalsContact CD1-SD 3.56Å; L171-M232 HydrophobicContact CD2-CE 3.82Å; L171-M232 HydrophobicContact CD2-CG 4.49Å; L171-M232 HydrophobicContact CD2-SD 4.3Å; L171-M232 HydrophobicContact CG-CE 4.39Å; T183-M232 HydrophobicContact CG2-CE 3.15Å; V185-M232 HydrophobicContact CG2-CE 3.73Å; V185-M232 HydrophobicContact CG2-SD 3.68Å; F210-M232 HydrophobicContact CE2-CE 3.99Å; F210-M232 HydrophobicContact CZ-CE 3.69Å; M232-V244 HydrophobicContact CB-CB 3.97Å; M232-V244 HydrophobicContact CG-CB 3.83Å; M232-V244 HydrophobicContact CG-CG1 4.23Å; M232-V244 HydrophobicContact CG-CG2 4.27Å; M232-V244 PolarHBondContact O-N 3.03Å; M232-G245 VanDerWaalsContact CB-O 3.3Å; M232-G245 WeakPolarHBondContact CB-O 3.39Å; M232-G245 PolarHBondContact N-O 2.83Å; M232-L266 HydrophobicContact CB-CD1 3.75Å; M232-L266 HydrophobicContact CB-CD2 4.22Å; M232-L266 HydrophobicContact CG-CD1 3.72Å
233M92.6Very high88.8Confident2 Ų258.9 Ų58.91%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-125.6133-176.5-56.9-59-63.200111.9L184 E186 R231 R241 H242 A243L184-M233 HydrophobicContact CB-CB 4.28Å; L184-M233 HydrophobicContact CD2-CB 4.32Å; L184-M233 PolarHBondContact N-O 2.95Å; L184-M233 PolarHBondContact O-N 2.95Å; E186-M233 HydrophobicContact CG-CG 4.18Å; R231-M233 HydrophobicContact CG-CG 4.45Å; R231-M233 HydrophobicContact CG-SD 3.95Å; M233-R241 HydrophobicContact CE-CB 3.7Å; M233-H242 CarbonylContact C-O 3.53Å; M233-H242 WeakPolarHBondContact CA-O 3.44Å; M233-H242 VanDerWaalsContact CE-C 3.46Å; M233-A243 HydrophobicContact CE-CB 4.46Å; M233-A243 HydrophobicContact SD-CB 4.22Å
234S91.4Very high88.9Confident0 Ų059 Ų590%028%0.278CS..EExtended strand (participates in β ladder)trans-92.3129.1165.7155.80000108.7F178 N181 R241 H242F178-S234 VanDerWaalsContact CD1-CB 3.41Å; F178-S234 VanDerWaalsContact CD1-OG 3.27Å; F178-S234 WeakPolarHBondContact CD1-OG 3.41Å; N181-S234 WeakPolarHBondContact CB-OG 3.49Å; N181-S234 PolarHBondContact ND2-OG 2.88Å; S234-R241 WeakPolarHBondContact O-CA 3.38Å; S234-H242 PolarHBondContact N-O 3.24Å; S234-H242 PolarHBondContact O-N 3.08Å
235V90.4Very high89Confident14 Ų1456.9 Ų56.99%0.08526%0.264CS..EExtended strand (participates in β ladder)trans-110.7114.5177.9-169.60000110N181 M182 L184 K240 R241N181-V235 WeakPolarHBondContact CB-O 3.46Å; M182-V235 HydrophobicContact CB-CB 4.37Å; M182-V235 HydrophobicContact CE-CB 3.87Å; M182-V235 HydrophobicContact CE-CG1 3.96Å; M182-V235 HydrophobicContact CE-CG2 4.04Å; M182-V235 PolarHBondContact N-O 3.35Å; M182-V235 WeakPolarHBondContact O-CB 3.3Å; M182-V235 PolarHBondContact O-N 2.2Å; L184-V235 HydrophobicContact CB-CG2 4.06Å; L184-V235 HydrophobicContact CD2-CG2 4.28Å; V235-K240 WeakPolarHBondContact CA-O 3.48Å; V235-R241 HydrophobicContact CG2-CG 4.3Å
236E89.7Confident89.2Confident55 Ų5550.7 Ų50.726%0.25724%0.239SC..  trans-72.5163.9176.7-71.3175.9168.700111.2D238 G239 K240 H242E236-D238 WeakPolarHBondContact CB-OD1 3.3Å; E236-D238 PolarHBondContact O-N 2.84Å; E236-G239 WeakPolarHBondContact O-CA 3.5Å; E236-G239 PolarHBondContact O-N 3.42Å; E236-K240 HydrophobicContact CB-CB 4.35Å; E236-K240 PolarHBondContact N-O 2.91Å; E236-K240 IonicContact OE1-NZ 3.42Å; E236-K240 IonicContact OE2-NZ 3.99Å; E236-K240 PolarHBondContact OE2-NZ 2.94Å; E236-H242 VanDerWaalsContact CD-CD2 3.41Å; E236-H242 IonicContact OE1-CD2 2.69Å; E236-H242 PolarHBondContact OE1-CD2 2.43Å; E236-H242 VanDerWaalsContact OE1-CD2 3.28Å; E236-H242 IonicContact OE1-NE2 3.29Å; E236-H242 PolarHBondContact OE1-NE2 2.83Å; E236-H242 IonicContact OE2-CD2 3.77Å; E236-H242 IonicContact OE2-NE2 3.53Å; E236-H242 PolarHBondContact OE2-NE2 2.82Å
237K86.3Confident89.4Confident201 Ų20149.3 Ų49.387%0.87423%0.233SC*.THydrogen-bonded Turntrans-66.9-17.8-173.9-66.8-179.5179.7176.70114.2G239K237-G239 VanDerWaalsContact C-N 3.31Å
238D84.8Confident89.4Confident115 Ų11547.7 Ų47.762%0.61523%0.23SC*.THydrogen-bonded Turntrans-82.8-5.7171.566.5-15.4000113.1E236 K240E236-D238 WeakPolarHBondContact CB-OD1 3.3Å; E236-D238 PolarHBondContact O-N 2.84Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 WeakPolarHBondContact OD2-CB 3.44Å
239G81.3Confident89.3Confident47 Ų4747.8 Ų47.849%0.48523%0.23SC..SBendtrans91.5-0.3-176.400000114.9E236 K237E236-G239 WeakPolarHBondContact O-CA 3.5Å; E236-G239 PolarHBondContact O-N 3.42Å; K237-G239 VanDerWaalsContact C-N 3.31Å
240K82.6Confident89.3Confident98 Ų9846.9 Ų46.943%0.42623%0.232SC..  trans-68.9136.1179.6-177.9169.2148.2-1180111V235 E236 D238 H242V235-K240 WeakPolarHBondContact CA-O 3.48Å; E236-K240 HydrophobicContact CB-CB 4.35Å; E236-K240 PolarHBondContact N-O 2.91Å; E236-K240 IonicContact OE1-NZ 3.42Å; E236-K240 IonicContact OE2-NZ 3.99Å; E236-K240 PolarHBondContact OE2-NZ 2.94Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.73Å; D238-K240 WeakPolarHBondContact OD2-CB 3.44Å; K240-H242 WeakPolarHBondContact CE-CE1 3.47Å; K240-H242 WeakPolarHBondContact CE-NE2 3.4Å; K240-H242 PolarHBondContact NZ-CE1 3.36Å; K240-H242 VanDerWaalsContact NZ-CE1 3.27Å; K240-H242 PolarHBondContact NZ-NE2 2.98Å
241R87Confident89Confident116 Ų11646.9 Ų46.944%0.43823%0.232SC..EExtended strand (participates in β ladder)trans-108.4124.3-175.5-53.8-170.8-173.9-155.7-4.1110.9E186 M233 S234 V235E186-R241 IonicContact OE1-CZ 3.73Å; E186-R241 IonicContact OE1-NH1 3.36Å; E186-R241 PolarHBondContact OE1-NH1 3.1Å; M233-R241 HydrophobicContact CE-CB 3.7Å; S234-R241 WeakPolarHBondContact O-CA 3.38Å; V235-R241 HydrophobicContact CG2-CG 4.3Å
242H83.8Confident88.7Confident67 Ų6750.7 Ų50.731%0.3125%0.252SS..EExtended strand (participates in β ladder)trans-111.7137.5174-69.8-86.8000111.2F178 M233 S234 E236 K240F178-H242 HydrophobicContact CE1-CB 4.14Å; M233-H242 CarbonylContact C-O 3.53Å; M233-H242 WeakPolarHBondContact CA-O 3.44Å; M233-H242 VanDerWaalsContact CE-C 3.46Å; S234-H242 PolarHBondContact N-O 3.24Å; S234-H242 PolarHBondContact O-N 3.08Å; E236-H242 VanDerWaalsContact CD-CD2 3.41Å; E236-H242 IonicContact OE1-CD2 2.69Å; E236-H242 PolarHBondContact OE1-CD2 2.43Å; E236-H242 VanDerWaalsContact OE1-CD2 3.28Å; E236-H242 IonicContact OE1-NE2 3.29Å; E236-H242 PolarHBondContact OE1-NE2 2.83Å; E236-H242 IonicContact OE2-CD2 3.77Å; E236-H242 IonicContact OE2-NE2 3.53Å; E236-H242 PolarHBondContact OE2-NE2 2.82Å; K240-H242 WeakPolarHBondContact CE-CE1 3.47Å; K240-H242 WeakPolarHBondContact CE-NE2 3.4Å; K240-H242 PolarHBondContact NZ-CE1 3.36Å; K240-H242 VanDerWaalsContact NZ-CE1 3.27Å; K240-H242 PolarHBondContact NZ-NE2 2.98Å
243A86.9Confident87.9Confident17 Ų1753.9 Ų53.914%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-70.8132.5173.200000110.3M233 E269 E271M233-A243 HydrophobicContact CE-CB 4.46Å; M233-A243 HydrophobicContact SD-CB 4.22Å; A243-E269 HydrophobicContact CB-CB 4.49Å; A243-E269 WeakPolarHBondContact CB-OE2 3.01Å; A243-E271 HydrophobicContact CB-CG 4.37Å
244V88.7Confident87.2Confident17 Ų1756.4 Ų56.410%0.10330%0.298CS..EExtended strand (participates in β ladder)trans-97.1-37.4171.5-175.30000109.9L174 F178 M232 L266L174-V244 HydrophobicContact CD1-CG1 3.74Å; L174-V244 HydrophobicContact CD1-CG2 4.49Å; F178-V244 HydrophobicContact CD2-CG1 4.07Å; F178-V244 HydrophobicContact CD2-CG2 3.89Å; F178-V244 HydrophobicContact CE2-CB 4.1Å; F178-V244 HydrophobicContact CE2-CG1 3.89Å; F178-V244 HydrophobicContact CE2-CG2 3.71Å; F178-V244 HydrophobicContact CG-CG2 4.42Å; F178-V244 HydrophobicContact CZ-CG2 4.09Å; M232-V244 HydrophobicContact CB-CB 3.97Å; M232-V244 HydrophobicContact CG-CB 3.83Å; M232-V244 HydrophobicContact CG-CG1 4.23Å; M232-V244 HydrophobicContact CG-CG2 4.27Å; M232-V244 PolarHBondContact O-N 3.03Å; V244-L266 HydrophobicContact CB-CD1 4.44Å; V244-L266 HydrophobicContact CG1-CD1 3.88Å
245G89.6Confident86.5Confident0 Ų057.9 Ų57.90%031%0.305CS..EExtended strand (participates in β ladder)trans162.1-170.3-179.200000111.6M232 D267M232-G245 VanDerWaalsContact CB-O 3.3Å; M232-G245 WeakPolarHBondContact CB-O 3.39Å; M232-G245 PolarHBondContact N-O 2.83Å; G245-D267 CarbonylContact C-O 3.32Å; G245-D267 WeakPolarHBondContact CA-O 3.48Å
246R92.1Very high85.2Confident52 Ų5260.8 Ų60.820%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-144.8162.9177.665.7-178.3-179.1-140.7-1.1112.4L230 D267 E269L230-R246 CarbonylContact O-C 3.34Å; L230-R246 VanDerWaalsContact O-CA 3.3Å; L230-R246 WeakPolarHBondContact O-CA 3.49Å; R246-D267 HydrophobicContact CG-CB 4.05Å; R246-D267 PolarHBondContact N-O 2.89Å; R246-D267 WeakPolarHBondContact O-CB 3.2Å; R246-D267 PolarHBondContact O-N 2.76Å; R246-E269 HydrophobicContact CG-CB 4.34Å
247V92.8Very high84Confident6 Ų662.3 Ų62.34%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-122.5135.2164.6-177.30000107.9L151 F153 R229 L230 R264 L266L151-V247 HydrophobicContact CB-CG2 4.34Å; L151-V247 HydrophobicContact CD2-CG2 4.27Å; F153-V247 HydrophobicContact CE1-CG1 4.29Å; F153-V247 HydrophobicContact CZ-CG1 4.18Å; R229-V247 WeakPolarHBondContact CA-O 3.27Å; L230-V247 HydrophobicContact CB-CB 4.41Å; L230-V247 HydrophobicContact CD1-CB 4.13Å; L230-V247 HydrophobicContact CD1-CG1 4.28Å; L230-V247 PolarHBondContact N-O 2.91Å; L230-V247 PolarHBondContact O-N 3.28Å; V247-R264 HydrophobicContact CG1-CB 3.76Å; V247-R264 HydrophobicContact CG1-CG 3.93Å; V247-R264 HydrophobicContact CG2-CB 4.01Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å
248L92.1Very high82.8Confident80 Ų8054.9 Ų54.942%0.41932%0.322SS..EExtended strand (participates in β ladder)trans-110.6114.3168.4-67.3173.3000108.8L190 R229L190-L248 HydrophobicContact CD1-CD2 4.28Å; R229-L248 HydrophobicContact CB-CD2 3.74Å; R229-L248 HydrophobicContact CG-CD2 3.76Å
249F91.2Very high81.8Confident2 Ų251.9 Ų51.91%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-113.3101.6-178.7-179.4-95.7000109.1F153 V155 L228 L230 L251 E254 L262F153-F249 HydrophobicContact CE2-CD2 4.29Å; F153-F249 HydrophobicContact CE2-CG 4.36Å; F153-F249 HydrophobicContact CZ-CD2 4.23Å; V155-F249 HydrophobicContact CB-CE1 3.93Å; V155-F249 HydrophobicContact CB-CZ 4.21Å; V155-F249 HydrophobicContact CG1-CE1 3.96Å; V155-F249 HydrophobicContact CG2-CD1 4.05Å; V155-F249 HydrophobicContact CG2-CE1 3.76Å; V155-F249 HydrophobicContact CG2-CZ 4.14Å; L228-F249 HydrophobicContact CB-CB 4.32Å; L228-F249 HydrophobicContact CB-CD1 4.34Å; L228-F249 HydrophobicContact CD2-CD1 4.45Å; L228-F249 PolarHBondContact N-O 3Å; L228-F249 PolarHBondContact O-N 2.88Å; L230-F249 HydrophobicContact CD1-CB 4.42Å; F249-L251 HydrophobicContact CD1-CD2 3.79Å; F249-L251 HydrophobicContact CE1-CD2 3.86Å; F249-E254 HydrophobicContact CD2-CB 4.3Å; F249-E254 WeakPolarHBondContact CD2-OE2 3.49Å; F249-E254 HydrophobicContact CE1-CB 4.4Å; F249-E254 HydrophobicContact CE2-CB 3.54Å; F249-E254 HydrophobicContact CE2-CG 4.34Å; F249-E254 WeakPolarHBondContact CE2-OE2 3.39Å; F249-E254 HydrophobicContact CZ-CB 3.6Å; F249-L262 HydrophobicContact CD2-CD1 4.27Å; F249-L262 HydrophobicContact CE2-CD1 3.49Å; F249-L262 VanDerWaalsContact CE2-CD1 3.49Å; F249-L262 HydrophobicContact CZ-CD1 4.02Å
250P91.3Very high81.8Confident43 Ų4358.2 Ų58.228%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-61.5136172.2-17.731.5000110.1K227 E252K227-P250 HydrophobicContact CG-CB 4.44Å; P250-E252 VanDerWaalsContact C-N 3.35Å
251L88.9Confident82Confident1 Ų157.6 Ų57.61%0.00533%0.332CS..SBendtrans-81.1-21174.6-53.9-175.5000112L164 L189 I218 I223 F226 L228 F249 L255L164-L251 HydrophobicContact CD1-CD1 4.29Å; L164-L251 HydrophobicContact CD1-CD2 4.17Å; L164-L251 HydrophobicContact CD2-CD1 3.74Å; L164-L251 HydrophobicContact CD2-CD2 3.92Å; L189-L251 HydrophobicContact CD2-CD1 4.07Å; I218-L251 HydrophobicContact CD1-CD1 3.67Å; I223-L251 HydrophobicContact CG2-CB 3.73Å; F226-L251 HydrophobicContact CB-CD1 3.79Å; F226-L251 HydrophobicContact CB-CG 4.41Å; F226-L251 WeakPolarHBondContact O-CB 3.44Å; F226-L251 WeakPolarHBondContact O-CG 3.48Å; F226-L251 PolarHBondContact O-N 2.97Å; F226-L251 VanDerWaalsContact O-N 3.11Å; L228-L251 HydrophobicContact CB-CD2 4.15Å; F249-L251 HydrophobicContact CD1-CD2 3.79Å; F249-L251 HydrophobicContact CE1-CD2 3.86Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å
252E85.1Confident82.2Confident130 Ų13052.7 Ų52.761%0.60731%0.314SS*.THydrogen-bonded Turntrans-68.1132.5167.8-162.6168.8-138.200111P224 P250 E254P224-E252 HydrophobicContact CB-CB 4.21Å; P224-E252 HydrophobicContact CB-CG 4Å; P224-E252 WeakPolarHBondContact CB-OE1 3.26Å; P250-E252 VanDerWaalsContact C-N 3.35Å; E252-E254 PolarHBondContact O-N 2.94Å
253G76.8Confident82.5Confident69 Ų6954.2 Ų54.271%0.71132%0.317SS*.THydrogen-bonded Turntrans74.5-56.4177.300000114.9L255 G256G253-L255 PolarHBondContact O-N 2.88Å; G253-G256 PolarHBondContact O-N 3.2Å; G253-G256 VanDerWaalsContact O-N 3.13Å
254E77.5Confident82.7Confident54 Ų5457.2 Ų57.225%0.25233%0.325SS..G310 helixtrans-67.5-21.9-173.2-55.8-134.7133.600113.2F249 E252 G256 Q257 R264F249-E254 HydrophobicContact CD2-CB 4.3Å; F249-E254 WeakPolarHBondContact CD2-OE2 3.49Å; F249-E254 HydrophobicContact CE1-CB 4.4Å; F249-E254 HydrophobicContact CE2-CB 3.54Å; F249-E254 HydrophobicContact CE2-CG 4.34Å; F249-E254 WeakPolarHBondContact CE2-OE2 3.39Å; F249-E254 HydrophobicContact CZ-CB 3.6Å; E252-E254 PolarHBondContact O-N 2.94Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.12Å; E254-Q257 WeakPolarHBondContact O-CB 3.29Å; E254-Q257 PolarHBondContact O-N 3.06Å; E254-R264 IonicContact OE1-CZ 2.8Å; E254-R264 IonicContact OE1-NH2 2.72Å; E254-R264 PolarHBondContact OE1-NH2 3.09Å; E254-R264 IonicContact OE2-CZ 3.25Å; E254-R264 IonicContact OE2-NE 3.86Å; E254-R264 IonicContact OE2-NH2 2.69Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å
255L76.9Confident82.8Confident31 Ų3159.7 Ų59.716%0.16234%0.337CS..G310 helixtrans-64-13174.9-153.8101.5000113.4V155 L164 I223 L251 G253 Q257 A258V155-L255 HydrophobicContact CG1-CD1 4.17Å; L164-L255 HydrophobicContact CD1-CD1 3.74Å; I223-L255 HydrophobicContact CD1-CD2 4.48Å; L251-L255 HydrophobicContact CD2-CD1 4.49Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; G253-L255 PolarHBondContact O-N 2.88Å; L255-Q257 PolarHBondContact O-N 3.45Å; L255-Q257 VanDerWaalsContact O-N 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 2.89Å
256G64.3Low82.8Confident76 Ų7660.6 Ų60.678%0.78434%0.342SS*.G310 helixtrans-62.2-13.3166.200000114G253 E254G253-G256 PolarHBondContact O-N 3.2Å; G253-G256 VanDerWaalsContact O-N 3.13Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-G256 VanDerWaalsContact O-N 3.12Å
257Q64.1Low82.5Confident86 Ų8661.9 Ų61.940%0.40235%0.353SS..G310 helixtrans-94.412.5172.1-51.6-1731600112.8E254 L255 R260 L262E254-Q257 WeakPolarHBondContact O-CB 3.29Å; E254-Q257 PolarHBondContact O-N 3.06Å; L255-Q257 PolarHBondContact O-N 3.45Å; L255-Q257 VanDerWaalsContact O-N 3.16Å; Q257-R260 VanDerWaalsContact O-CB 3.27Å; Q257-R260 WeakPolarHBondContact O-CB 3.46Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 2.96Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; Q257-L262 HydrophobicContact CB-CD2 4.13Å; Q257-L262 VanDerWaalsContact OE1-CD2 3.27Å
258A60.7Low81.8Confident46 Ų4666.8 Ų66.838%0.3839%0.385SS..THydrogen-bonded Turntrans-51.1141-174.400000113.9V155 L255 R260V155-A258 VanDerWaalsContact O-CA 3.27Å; V155-A258 WeakPolarHBondContact O-CA 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.27Å; L255-A258 PolarHBondContact O-N 2.89Å; A258-R260 PolarHBondContact O-N 3.09Å
259G65.1Low80.5Confident52 Ų5263.9 Ų63.954%0.53637%0.369SS..THydrogen-bonded Turntrans74.1-7.4-17800000115.1V155V155-G259 PolarHBondContact O-N 2.82Å
260R80.6Confident78.6Confident179 Ų17969.4 Ų69.468%0.67540%0.395SS*.SBendtrans-83.6151.1172-58.6-177.8178.8-87.2-2.5111.1S154 Q257 A258S154-R260 WeakPolarHBondContact CB-O 3.49Å; Q257-R260 VanDerWaalsContact O-CB 3.27Å; Q257-R260 WeakPolarHBondContact O-CB 3.46Å; Q257-R260 WeakPolarHBondContact O-CG 3.48Å; Q257-R260 PolarHBondContact O-N 2.96Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; A258-R260 PolarHBondContact O-N 3.09Å
261V87.7Confident76.5Confident86 Ų8670.4 Ų70.452%0.52140%0.396SS..EExtended strand (participates in β ladder)trans-77.4121.7171.3177.50000109C152 L169C152-V261 WeakPolarHBondContact SG-CG1 3.18Å; L169-V261 HydrophobicContact CD1-CB 4.36Å; L169-V261 HydrophobicContact CD1-CG1 3.76Å; L169-V261 HydrophobicContact CD1-CG2 3.83Å
262L89.7Confident74.3Confident12 Ų1275.1 Ų75.16%0.06343%0.425CS..EExtended strand (participates in β ladder)trans-106.1139.8-179.3-52.8-179.6000110C152 F153 F249 Q257C152-L262 WeakPolarHBondContact CA-O 3.46Å; F153-L262 HydrophobicContact CE2-CD1 4.35Å; F153-L262 PolarHBondContact N-O 3.28Å; F153-L262 WeakPolarHBondContact O-CA 3.19Å; F153-L262 WeakPolarHBondContact O-CB 3.25Å; F153-L262 PolarHBondContact O-N 2.24Å; F249-L262 HydrophobicContact CD2-CD1 4.27Å; F249-L262 HydrophobicContact CE2-CD1 3.49Å; F249-L262 VanDerWaalsContact CE2-CD1 3.49Å; F249-L262 HydrophobicContact CZ-CD1 4.02Å; Q257-L262 HydrophobicContact CB-CD2 4.13Å; Q257-L262 VanDerWaalsContact OE1-CD2 3.27Å
263W90.6Very high72.4Confident99 Ų9974.2 Ų74.238%0.37542%0.421SS..EExtended strand (participates in β ladder)trans-112.5126.6166.6-7491.7000108.9R150 L151 C152 R170R150-W263 HydrophobicContact CB-CE3 3.75Å; R150-W263 HydrophobicContact CB-CZ3 4.05Å; L151-W263 WeakPolarHBondContact O-CA 3.08Å; C152-W263 HydrophobicContact CB-CD2 3.85Å; C152-W263 HydrophobicContact CB-CE3 3.74Å; C152-W263 HydrophobicContact CB-CH2 3.67Å; C152-W263 HydrophobicContact CB-CZ2 3.71Å; C152-W263 HydrophobicContact CB-CZ3 3.66Å; R170-W263 HydrophobicContact CG-CH2 3.94Å; R170-W263 HydrophobicContact CG-CZ2 4.47Å
264R91.1Very high71.1Confident80 Ų8072.9 Ų72.930%0.30240%0.4SS..EExtended strand (participates in β ladder)trans-129.2135.5173.8-63.9-62.4-168.6-168.47.4110.2R150 L151 F153 V247 E254R150-R264 CarbonylContact C-O 3.54Å; R150-R264 WeakPolarHBondContact CA-O 3.46Å; L151-R264 PolarHBondContact N-O 2.9Å; L151-R264 PolarHBondContact O-N 3.22Å; F153-R264 HydrophobicContact CE1-CB 4.08Å; F153-R264 HydrophobicContact CE1-CG 3.77Å; F153-R264 HydrophobicContact CZ-CG 4.03Å; V247-R264 HydrophobicContact CG1-CB 3.76Å; V247-R264 HydrophobicContact CG1-CG 3.93Å; V247-R264 HydrophobicContact CG2-CB 4.01Å; E254-R264 IonicContact OE1-CZ 2.8Å; E254-R264 IonicContact OE1-NH2 2.72Å; E254-R264 PolarHBondContact OE1-NH2 3.09Å; E254-R264 IonicContact OE2-CZ 3.25Å; E254-R264 IonicContact OE2-NE 3.86Å; E254-R264 IonicContact OE2-NH2 2.69Å; E254-R264 PolarHBondContact OE2-NH2 3.22Å
265D90.9Very high70.2Confident69 Ų6971.9 Ų71.937%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-69.8142.9173-61.929.8000108.1A148 R150 D267A148-D265 HydrophobicContact CB-CB 4.16Å; R150-D265 IonicContact CZ-OD1 2.71Å; R150-D265 IonicContact CZ-OD2 3.68Å; R150-D265 VanDerWaalsContact NE-CG 3.31Å; R150-D265 IonicContact NE-OD1 3.93Å; R150-D265 PolarHBondContact NE-OD1 2.14Å; R150-D265 IonicContact NE-OD2 2.7Å; R150-D265 PolarHBondContact NE-OD2 2.52Å; R150-D265 IonicContact NH2-OD1 3.4Å; R150-D265 PolarHBondContact NH2-OD1 3.42Å; R150-D265 IonicContact NH2-OD2 3.5Å; R150-D265 PolarHBondContact NH2-OD2 3.12Å; D265-D267 PolarHBondContact O-N 3.27Å
266L90.2Very high69.6Low20 Ų2076 Ų7611%0.10542%0.417CS..PPolyproline II helixtrans-74.9118175.6-66-173.2000109.5T149 L151 L171 M232 V244 V247T149-L266 HydrophobicContact CG2-CD1 3.59Å; T149-L266 HydrophobicContact CG2-CG 4.19Å; T149-L266 PolarHBondContact O-N 2.84Å; L151-L266 HydrophobicContact CB-CD2 4.18Å; L171-L266 HydrophobicContact CD1-CD1 4.37Å; M232-L266 HydrophobicContact CB-CD1 3.75Å; M232-L266 HydrophobicContact CB-CD2 4.22Å; M232-L266 HydrophobicContact CG-CD1 3.72Å; V244-L266 HydrophobicContact CB-CD1 4.44Å; V244-L266 HydrophobicContact CG1-CD1 3.88Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å
267D86.1Confident70.2Confident78 Ų7874.1 Ų74.142%0.41739%0.389SS..BIsolated β-bridgetrans-56.6135.9161.8-66.9-44.5000108.2G245 R246 D265 E269G245-D267 CarbonylContact C-O 3.32Å; G245-D267 WeakPolarHBondContact CA-O 3.48Å; R246-D267 HydrophobicContact CG-CB 4.05Å; R246-D267 PolarHBondContact N-O 2.89Å; R246-D267 WeakPolarHBondContact O-CB 3.2Å; R246-D267 PolarHBondContact O-N 2.76Å; D265-D267 PolarHBondContact O-N 3.27Å; D267-E269 PolarHBondContact O-N 2.94Å
268P76.4Confident71.2Confident110 Ų11070 Ų7071%0.71437%0.37SS*.PPolyproline II helixtrans-58.9118.3165.826.6-32.5000107.3E270P268-E270 PolarHBondContact O-N 3.12Å
269E65.7Low72.5Confident19 Ų1968 Ų689%0.08935%0.353CS..  trans-70.2110.7176.3-175.7170.3-112.400107.6R231 A243 R246 D267 E271R231-E269 IonicContact CZ-OE1 2.24Å; R231-E269 IonicContact CZ-OE2 2.91Å; R231-E269 VanDerWaalsContact NE-CD 3.31Å; R231-E269 IonicContact NE-OE1 3.28Å; R231-E269 PolarHBondContact NE-OE1 2.81Å; R231-E269 VanDerWaalsContact NE-OE1 3.1Å; R231-E269 IonicContact NE-OE2 3.97Å; R231-E269 PolarHBondContact NE-OE2 3Å; R231-E269 IonicContact NH2-OE2 2.73Å; R231-E269 PolarHBondContact NH2-OE2 2.82Å; A243-E269 HydrophobicContact CB-CB 4.49Å; A243-E269 WeakPolarHBondContact CB-OE2 3.01Å; R246-E269 HydrophobicContact CG-CB 4.34Å; D267-E269 PolarHBondContact O-N 2.94Å; E269-E271 VanDerWaalsContact C-N 3.26Å; E269-E271 PolarHBondContact O-N 2.92Å
270E51.6Low73.8Confident118 Ų11865.6 Ų65.655%0.55133%0.328SS*.  trans-52.399.4160.1-72.4-170.1171.400107.2P268 T272P268-E270 PolarHBondContact O-N 3.12Å; E270-T272 PolarHBondContact O-N 2.92Å; E270-T272 PolarHBondContact O-OG1 3.37Å; E270-T272 VanDerWaalsContact O-OG1 3.04Å
271E46.5Very low74.5Confident64 Ų6459.4 Ų59.430%0.29931%0.307SS..  trans-58.8101.6-170.6-78.9-173.6121.600109A243 E269 Q273 R411A243-E271 HydrophobicContact CB-CG 4.37Å; E269-E271 VanDerWaalsContact C-N 3.26Å; E269-E271 PolarHBondContact O-N 2.92Å; E271-Q273 CarbonylContact O-C 3.54Å; E271-Q273 PolarHBondContact O-N 3.24Å; E271-Q273 VanDerWaalsContact O-N 3.08Å; E271-Q273 VanDerWaalsContact O-O 3.1Å; E271-R411 IonicContact OE2-CZ 3.61Å; E271-R411 IonicContact OE2-NH1 3.34Å; E271-R411 PolarHBondContact OE2-NH1 2.83Å; E271-R411 IonicContact OE2-NH2 2.76Å; E271-R411 PolarHBondContact OE2-NH2 2.96Å
272T42.9Very low74.9Confident99 Ų9955.3 Ų55.361%0.60728%0.282SS*.  trans-76.86.5-178.2-27.40000111.4E270 C274E270-T272 PolarHBondContact O-N 2.92Å; E270-T272 PolarHBondContact O-OG1 3.37Å; E270-T272 VanDerWaalsContact O-OG1 3.04Å; T272-C274 VanDerWaalsContact C-N 3.34Å; T272-C274 PolarHBondContact O-N 2.79Å
273Q45.9Very low75.2Confident111 Ų11155 Ų5552%0.51928%0.28SS..SBendtrans-71.394.3148.7-64.4-17916.400107.7E271 R411E271-Q273 CarbonylContact O-C 3.54Å; E271-Q273 PolarHBondContact O-N 3.24Å; E271-Q273 VanDerWaalsContact O-N 3.08Å; E271-Q273 VanDerWaalsContact O-O 3.1Å; Q273-R411 PolarHBondContact O-NH2 3.49Å
274C49.6Very low75.4Confident42 Ų4250.3 Ų50.328%0.28426%0.263SS..  trans-49.4148.9159.7-60.30000109.3T272 D279T272-C274 VanDerWaalsContact C-N 3.34Å; T272-C274 PolarHBondContact O-N 2.79Å; C274-D279 WeakPolarHBondContact CA-OD1 3.33Å
275S58.6Low75.6Confident32 Ų3247.3 Ų47.322%0.22425%0.254CS..  trans-52.7161.2170.6-142.90000111L277 G278 D279 L412S275-L277 PolarHBondContact O-N 2.91Å; S275-G278 WeakPolarHBondContact CB-O 2.99Å; S275-G278 PolarHBondContact O-N 3.26Å; S275-D279 PolarHBondContact N-OD1 3.39Å; S275-L412 PolarHBondContact OG-O 3.32Å
276E64.3Low75.8Confident118 Ų11844.2 Ų44.255%0.55124%0.237SC*.THydrogen-bonded Turntrans-53.6-21.9175-64.3-175.2147.400113.4Q304 R414E276-Q304 WeakPolarHBondContact O-CG 3.34Å; E276-Q304 PolarHBondContact O-NE2 3.34Å; E276-R414 IonicContact OE1-NH2 3.79Å; E276-R414 IonicContact OE2-CZ 2.74Å; E276-R414 IonicContact OE2-NE 4Å; E276-R414 PolarHBondContact OE2-NE 3.11Å; E276-R414 IonicContact OE2-NH2 3.1Å; E276-R414 PolarHBondContact OE2-NH2 3.1Å
277L76.2Confident76Confident37 Ų3743.7 Ų43.719%0.19424%0.235CC..THydrogen-bonded Turntrans-108.12-179.2-53.9172.3000113S275 L303 L376 L412 G413 R414S275-L277 PolarHBondContact O-N 2.91Å; L277-L303 VanDerWaalsContact O-CD2 3.32Å; L277-L303 WeakPolarHBondContact O-CD2 3.4Å; L277-L376 WeakPolarHBondContact CD1-O 3.48Å; L277-L412 HydrophobicContact CB-CB 3.91Å; L277-G413 WeakPolarHBondContact CD1-O 3.43Å; L277-R414 HydrophobicContact CD1-CB 4.35Å; L277-R414 HydrophobicContact CD1-CG 3.78Å
278G85.2Confident76.2Confident0 Ų042.7 Ų42.70%024%0.235CC..  trans89.8177.9-170.700000114.9S275 R301 G302 L412S275-G278 WeakPolarHBondContact CB-O 2.99Å; S275-G278 PolarHBondContact O-N 3.26Å; G278-R301 VanDerWaalsContact CA-O 3.27Å; G278-R301 WeakPolarHBondContact CA-O 3.41Å; G278-G302 VanDerWaalsContact CA-O 3.29Å; G278-G302 WeakPolarHBondContact CA-O 3.48Å; G278-L412 WeakPolarHBondContact O-CB 3.4Å; G278-L412 PolarHBondContact O-N 2.99Å; G278-L412 VanDerWaalsContact O-N 3.12Å
279D88.8Confident76.9Confident4 Ų442 Ų422%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-117.8153.4175.1-51-26.3000110.6C274 S275 A300 R301 W409 H410 R411C274-D279 WeakPolarHBondContact CA-OD1 3.33Å; S275-D279 PolarHBondContact N-OD1 3.39Å; D279-A300 CarbonylContact O-C 3.59Å; D279-A300 WeakPolarHBondContact O-CA 3.46Å; D279-A300 WeakPolarHBondContact O-CB 3.43Å; D279-R301 HydrophobicContact CB-CG 3.97Å; D279-R301 PolarHBondContact N-O 3.34Å; D279-R301 PolarHBondContact O-N 2.92Å; D279-R301 IonicContact OD2-CZ 3.45Å; D279-R301 VanDerWaalsContact OD2-CZ 3.25Å; D279-R301 IonicContact OD2-NE 2.75Å; D279-R301 PolarHBondContact OD2-NE 3.21Å; D279-R301 IonicContact OD2-NH2 2.81Å; D279-R301 PolarHBondContact OD2-NH2 3.14Å; D279-W409 HydrophobicContact CB-CE3 3.96Å; D279-W409 HydrophobicContact CB-CZ3 4.45Å; D279-H410 CarbonylContact C-O 3.53Å; D279-H410 WeakPolarHBondContact CA-O 3.44Å; D279-R411 WeakPolarHBondContact OD1-CG 3.39Å
280V91.9Very high78.1Confident0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-120.4136173.762.70000111.6I282 V297 F360 L379 H410 L412V280-I282 HydrophobicContact CG1-CD1 3.89Å; V280-I282 HydrophobicContact CG1-CG1 4.09Å; V280-I282 HydrophobicContact CG2-CD1 4.47Å; V280-I282 HydrophobicContact CG2-CG1 3.99Å; V280-V297 HydrophobicContact CG2-CG1 3.89Å; V280-F360 HydrophobicContact CB-CZ 4.16Å; V280-F360 HydrophobicContact CG1-CE1 4.18Å; V280-F360 HydrophobicContact CG1-CE2 4.43Å; V280-F360 HydrophobicContact CG1-CZ 4.05Å; V280-F360 HydrophobicContact CG2-CE2 3.9Å; V280-F360 HydrophobicContact CG2-CZ 3.69Å; V280-L379 HydrophobicContact CG1-CD2 3.96Å; V280-H410 HydrophobicContact CG1-CB 4.24Å; V280-H410 PolarHBondContact N-O 3.35Å; V280-H410 PolarHBondContact O-N 2.87Å; V280-L412 HydrophobicContact CB-CD2 4.35Å; V280-L412 HydrophobicContact CG1-CD2 3.84Å; V280-L412 HydrophobicContact CG1-CG 4.48Å
281Q94.3Very high80.1Confident50 Ų5044 Ų4423%0.23424%0.244CC..EExtended strand (participates in β ladder)trans-93118.8171.6-161.6-178.667.100110.4L298 G299 M408 W409Q281-L298 HydrophobicContact CB-CB 4.33Å; Q281-L298 HydrophobicContact CG-CD1 4.14Å; Q281-L298 PolarHBondContact O-N 2.96Å; Q281-G299 PolarHBondContact N-O 3.12Å; Q281-M408 WeakPolarHBondContact CA-O 3.27Å; Q281-W409 HydrophobicContact CB-CD2 3.81Å; Q281-W409 HydrophobicContact CB-CE3 3.68Å; Q281-W409 HydrophobicContact CB-CH2 3.81Å; Q281-W409 HydrophobicContact CB-CZ2 3.95Å; Q281-W409 HydrophobicContact CB-CZ3 3.67Å; Q281-W409 HydrophobicContact CG-CD2 4.08Å; Q281-W409 HydrophobicContact CG-CE3 4.45Å; Q281-W409 HydrophobicContact CG-CG 4.45Å; Q281-W409 HydrophobicContact CG-CZ2 4.31Å
282I95.9Very high82.4Confident0 Ų046.3 Ų46.30%025%0.25CS..EExtended strand (participates in β ladder)trans-118.8138.6-178.3-60.4178.5000108.8V280 L284 L295 F360 L379 L381 H394 R407 M408V280-I282 HydrophobicContact CG1-CD1 3.89Å; V280-I282 HydrophobicContact CG1-CG1 4.09Å; V280-I282 HydrophobicContact CG2-CD1 4.47Å; V280-I282 HydrophobicContact CG2-CG1 3.99Å; I282-L284 HydrophobicContact CG2-CG 4.39Å; I282-L295 HydrophobicContact CG2-CD1 3.7Å; I282-L295 HydrophobicContact CG2-CD2 4.24Å; I282-L295 HydrophobicContact CG2-CG 3.73Å; I282-F360 HydrophobicContact CD1-CD2 3.8Å; I282-F360 HydrophobicContact CD1-CE2 4.13Å; I282-F360 HydrophobicContact CD1-CG 4.35Å; I282-L379 HydrophobicContact CD1-CD2 3.53Å; I282-L381 HydrophobicContact CD1-CD1 4.01Å; I282-L381 HydrophobicContact CG2-CD1 4.13Å; I282-H394 WeakPolarHBondContact CB-CE1 3.4Å; I282-H394 WeakPolarHBondContact CG2-CE1 3.48Å; I282-H394 PolarHBondContact O-CE1 3.3Å; I282-R407 WeakPolarHBondContact O-CA 3.44Å; I282-M408 PolarHBondContact N-O 3.37Å; I282-M408 PolarHBondContact O-N 3.04Å
283S96.4Very high84.9Confident5 Ų541.6 Ų41.64%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-108135165.1-1690000110.7L295 V296 H394 V406S283-L295 CarbonylContact O-C 3.58Å; S283-L295 VanDerWaalsContact O-CA 3.29Å; S283-L295 WeakPolarHBondContact O-CA 3.21Å; S283-V296 PolarHBondContact N-O 2.99Å; S283-V296 PolarHBondContact O-N 2.91Å; S283-H394 PolarHBondContact N-CE1 3.43Å; S283-V406 CarbonylContact C-O 3.49Å; S283-V406 WeakPolarHBondContact CA-O 3.47Å; S283-V406 PolarHBondContact OG-O 3.21Å
284L95.9Very high87.2Confident0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-122.3142.9176.7-76.5-175.8000110I282 L293 L295 L358 L381 H394 W395 M398 P405 V406I282-L284 HydrophobicContact CG2-CG 4.39Å; L284-L293 HydrophobicContact CD2-CD1 4.42Å; L284-L295 HydrophobicContact CD2-CB 3.96Å; L284-L295 HydrophobicContact CD2-CD1 3.84Å; L284-L295 HydrophobicContact CD2-CG 4.02Å; L284-L358 HydrophobicContact CD2-CD1 3.87Å; L284-L381 HydrophobicContact CD1-CD1 4.07Å; L284-L381 HydrophobicContact CG-CD1 4.5Å; L284-H394 HydrophobicContact CD1-CB 4.48Å; L284-H394 PolarHBondContact N-NE2 3.03Å; L284-H394 VanDerWaalsContact N-NE2 3.11Å; L284-W395 HydrophobicContact CD1-CE3 4.39Å; L284-M398 HydrophobicContact CB-CB 3.99Å; L284-M398 HydrophobicContact CB-CG 3.87Å; L284-M398 HydrophobicContact CB-SD 3.75Å; L284-M398 HydrophobicContact CD1-CB 4.48Å; L284-M398 HydrophobicContact CD1-SD 3.95Å; L284-M398 HydrophobicContact CD2-SD 4.23Å; L284-M398 HydrophobicContact CG-SD 4.21Å; L284-P405 CarbonylContact O-C 3.55Å; L284-P405 WeakPolarHBondContact O-CA 3.07Å; L284-V406 PolarHBondContact N-O 3.02Å; L284-V406 PolarHBondContact O-N 2.9Å
285S95.1Very high89.4Confident17 Ų1735.1 Ų35.112%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-150.3135.5170.2410000109.3S294 E404S285-S294 PolarHBondContact N-O 3.01Å; S285-S294 PolarHBondContact O-N 2.92Å; S285-S294 WeakPolarHBondContact OG-CB 3.49Å; S285-S294 PolarHBondContact OG-O 2.79Å; S285-E404 WeakPolarHBondContact CB-O 3.36Å
286Y95.2Very high91.1Very high4 Ų434.4 Ų34.42%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-113.8139.9172.6-172.8-106.7000111.2S288 R292 L293 L348 P350 L353 Q403Y286-S288 VanDerWaalsContact CE1-CA 3.47Å; Y286-S288 WeakPolarHBondContact CE1-OG 3.32Å; Y286-R292 WeakPolarHBondContact CD2-O 3.25Å; Y286-L293 HydrophobicContact CD2-CB 4.04Å; Y286-L293 HydrophobicContact CE2-CB 4.44Å; Y286-L348 HydrophobicContact CE2-CB 4.31Å; Y286-L348 WeakPolarHBondContact CE2-O 3.47Å; Y286-L348 PolarHBondContact OH-O 2.84Å; Y286-P350 WeakPolarHBondContact OH-CD 3.23Å; Y286-L353 HydrophobicContact CD1-CD1 4.22Å; Y286-L353 HydrophobicContact CD1-CD2 4.34Å; Y286-L353 HydrophobicContact CD2-CD2 4.11Å; Y286-L353 HydrophobicContact CE1-CD1 3.78Å; Y286-L353 HydrophobicContact CE1-CD2 4.24Å; Y286-L353 HydrophobicContact CE1-CG 4.43Å; Y286-L353 HydrophobicContact CE2-CD2 4.02Å; Y286-L353 HydrophobicContact CG-CD2 4.28Å; Y286-Q403 PolarHBondContact O-N 3.33Å
287S93.8Very high92.6Very high9 Ų928.8 Ų28.86%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-125.195.6179.6-170.30000109.1S289 L290 Q291 R292 Q403S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 3Å; S287-L290 CarbonylContact O-C 3.3Å; S287-L290 PolarHBondContact O-N 2.91Å; S287-Q291 WeakPolarHBondContact O-CA 3.5Å; S287-Q291 PolarHBondContact O-N 2.87Å; S287-R292 PolarHBondContact N-O 2.86Å; S287-R292 PolarHBondContact O-N 2.79Å; S287-Q403 VanDerWaalsContact OG-CD 3.3Å; S287-Q403 PolarHBondContact OG-NE2 3.04Å; S287-Q403 VanDerWaalsContact OG-NE2 3.12Å; S287-Q403 PolarHBondContact OG-OE1 3Å
288S90.6Very high93.4Very high58 Ų5828.5 Ų28.541%0.40616%0.155SC..THydrogen-bonded Turntrans-61.4-40-174.9-44.70000112.5Y286 L290 Q291Y286-S288 VanDerWaalsContact CE1-CA 3.47Å; Y286-S288 WeakPolarHBondContact CE1-OG 3.32Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.91Å; S288-Q291 PolarHBondContact O-N 2.96Å
289S90.4Very high93.6Very high95 Ų9528.9 Ų28.966%0.66416%0.16SC*.THydrogen-bonded Turntrans-62.4-37.2176.348.80000113S287 Q403S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 3Å; S289-Q403 PolarHBondContact OG-NE2 3.37Å
290L91.8Very high93.7Very high108 Ų10829 Ų2957%0.56516%0.161SC*.THydrogen-bonded Turntrans-92.6-0.2177.5-59.5-178.9000113.4S287 S288 R292S287-L290 CarbonylContact O-C 3.3Å; S287-L290 PolarHBondContact O-N 2.91Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.91Å; L290-R292 HydrophobicContact CB-CB 3.94Å; L290-R292 PolarHBondContact O-N 2.86Å
291Q93.4Very high93.4Very high71 Ų7131.3 Ų31.333%0.33217%0.17SC..THydrogen-bonded Turntrans46.244.5-171-57.6-176.8-8.400111.9S287 S288 K347 L348S287-Q291 WeakPolarHBondContact O-CA 3.5Å; S287-Q291 PolarHBondContact O-N 2.87Å; S288-Q291 PolarHBondContact O-N 2.96Å; Q291-K347 CarbonylContact O-C 3.45Å; Q291-K347 WeakPolarHBondContact O-CA 3.22Å; Q291-L348 CarbonylContact C-O 3.47Å; Q291-L348 VanDerWaalsContact C-O 3.25Å; Q291-L348 WeakPolarHBondContact CA-O 3.41Å; Q291-L348 PolarHBondContact O-N 3.12Å; Q291-L348 VanDerWaalsContact O-O 3.1Å
292R93.9Very high92.7Very high113 Ų11330 Ų3043%0.42617%0.169SC..EExtended strand (participates in β ladder)trans-127118.5-165.2-169.6178.9-61.4-121.95112.2Y286 S287 L290 F346Y286-R292 WeakPolarHBondContact CD2-O 3.25Å; S287-R292 PolarHBondContact N-O 2.86Å; S287-R292 PolarHBondContact O-N 2.79Å; L290-R292 HydrophobicContact CB-CB 3.94Å; L290-R292 PolarHBondContact O-N 2.86Å; R292-F346 WeakPolarHBondContact CA-O 3.44Å
293L94.9Very high92Very high0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-93122168.8174.756000108.6L284 Y286 L317 T345 F346 L348 L358 W395 M398L284-L293 HydrophobicContact CD2-CD1 4.42Å; Y286-L293 HydrophobicContact CD2-CB 4.04Å; Y286-L293 HydrophobicContact CE2-CB 4.44Å; L293-L317 HydrophobicContact CD2-CD1 4.41Å; L293-T345 CarbonylContact O-C 3.51Å; L293-T345 WeakPolarHBondContact O-CA 3.13Å; L293-F346 HydrophobicContact CB-CB 4.45Å; L293-F346 PolarHBondContact N-O 3.12Å; L293-F346 PolarHBondContact O-N 3.34Å; L293-L348 HydrophobicContact CB-CB 4.23Å; L293-L348 HydrophobicContact CB-CD2 4.39Å; L293-L348 HydrophobicContact CD2-CD2 3.75Å; L293-L358 HydrophobicContact CD2-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD2 4Å; L293-L358 HydrophobicContact CD2-CG 3.99Å; L293-L358 HydrophobicContact CG-CD1 4.31Å; L293-W395 HydrophobicContact CD1-CZ3 4.48Å; L293-W395 HydrophobicContact CD2-CH2 3.79Å; L293-W395 HydrophobicContact CD2-CZ3 3.98Å; L293-M398 HydrophobicContact CD1-CE 4.01Å; L293-M398 HydrophobicContact CD1-SD 3.27Å; L293-M398 WeakPolarHBondContact CD1-SD 3.38Å
294S94.8Very high90.8Very high16 Ų1636.3 Ų36.311%0.11220%0.199CC..EExtended strand (participates in β ladder)trans-119.2121.8-178.7-54.40000110.2S285S285-S294 PolarHBondContact N-O 3.01Å; S285-S294 PolarHBondContact O-N 2.92Å; S285-S294 WeakPolarHBondContact OG-CB 3.49Å; S285-S294 PolarHBondContact OG-O 2.79Å
295L95.7Very high89.6Confident1 Ų138.4 Ų38.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-114141.8176.2-179154.6000109.4I282 S283 L284 V297 V315 M344 L358I282-L295 HydrophobicContact CG2-CD1 3.7Å; I282-L295 HydrophobicContact CG2-CD2 4.24Å; I282-L295 HydrophobicContact CG2-CG 3.73Å; S283-L295 CarbonylContact O-C 3.58Å; S283-L295 VanDerWaalsContact O-CA 3.29Å; S283-L295 WeakPolarHBondContact O-CA 3.21Å; L284-L295 HydrophobicContact CD2-CB 3.96Å; L284-L295 HydrophobicContact CD2-CD1 3.84Å; L284-L295 HydrophobicContact CD2-CG 4.02Å; L295-V297 HydrophobicContact CD2-CG2 3.57Å; L295-V315 HydrophobicContact CD1-CG1 4.5Å; L295-M344 HydrophobicContact CB-CG 3.8Å; L295-M344 HydrophobicContact CB-SD 4.41Å; L295-M344 HydrophobicContact CD2-CE 3.83Å; L295-M344 HydrophobicContact CD2-CG 3.85Å; L295-M344 HydrophobicContact CD2-SD 3.86Å; L295-M344 HydrophobicContact CG-CG 4.42Å; L295-M344 PolarHBondContact N-O 2.84Å; L295-M344 WeakPolarHBondContact O-CG 3.29Å; L295-M344 PolarHBondContact O-N 2.84Å; L295-L358 HydrophobicContact CB-CD1 4.48Å; L295-L358 HydrophobicContact CD1-CD1 3.72Å
296V95.6Very high88Confident16 Ų1644.7 Ų44.710%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-125.7124166.2-170.60000108.6S283 L298 Y342 R343S283-V296 PolarHBondContact N-O 2.99Å; S283-V296 PolarHBondContact O-N 2.91Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; V296-Y342 WeakPolarHBondContact CA-O 3.27Å; V296-R343 HydrophobicContact CG2-CB 4.07Å; V296-R343 HydrophobicContact CG2-CG 4.04Å
297V94.7Very high86.6Confident0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-85.2114167-170.30000106.6V280 L295 V313 F340 N341 Y342 M344 F360V280-V297 HydrophobicContact CG2-CG1 3.89Å; L295-V297 HydrophobicContact CD2-CG2 3.57Å; V297-V313 HydrophobicContact CG1-CG2 4.43Å; V297-V313 HydrophobicContact CG2-CG1 4.07Å; V297-F340 HydrophobicContact CB-CB 4.19Å; V297-F340 HydrophobicContact CG1-CB 4.02Å; V297-F340 HydrophobicContact CG1-CD2 3.72Å; V297-F340 HydrophobicContact CG1-CG 4.06Å; V297-N341 CarbonylContact O-C 3.6Å; V297-N341 WeakPolarHBondContact O-CA 3.45Å; V297-N341 PolarHBondContact O-N 2.99Å; V297-Y342 PolarHBondContact N-O 2.86Å; V297-Y342 PolarHBondContact O-N 2.89Å; V297-M344 HydrophobicContact CG2-CE 4.13Å; V297-F360 HydrophobicContact CG1-CE2 4.08Å; V297-F360 HydrophobicContact CG2-CD2 4.5Å; V297-F360 HydrophobicContact CG2-CE2 4.01Å
298L92.3Very high85.3Confident31 Ų3153.9 Ų53.916%0.16229%0.293CS..EExtended strand (participates in β ladder)trans-84.1-57.1-175.1-66.8169.1000110Q281 V296 F340 N341 R407Q281-L298 HydrophobicContact CB-CB 4.33Å; Q281-L298 HydrophobicContact CG-CD1 4.14Å; Q281-L298 PolarHBondContact O-N 2.96Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 4.42Å; L298-F340 PolarHBondContact O-N 3.19Å; L298-N341 PolarHBondContact O-N 3.49Å; L298-R407 HydrophobicContact CD1-CG 4.38Å
299G90.8Very high84.4Confident9 Ų952.8 Ų52.89%0.09329%0.287CS..EExtended strand (participates in β ladder)trans-165.7174175.100000111.1Q281 P338Q281-G299 PolarHBondContact N-O 3.12Å; G299-P338 CarbonylContact C-O 3.59Å; G299-P338 WeakPolarHBondContact CA-O 3.26Å
300A89.9Confident84Confident6 Ų648.3 Ų48.35%0.0526%0.256CS..EExtended strand (participates in β ladder)trans-116166.8165.300000110.4D279 L303 D337 P338 F340D279-A300 CarbonylContact O-C 3.59Å; D279-A300 WeakPolarHBondContact O-CA 3.46Å; D279-A300 WeakPolarHBondContact O-CB 3.43Å; A300-L303 HydrophobicContact CB-CD1 3.9Å; A300-L303 HydrophobicContact CB-CD2 3.89Å; A300-L303 HydrophobicContact CB-CG 3.91Å; A300-D337 CarbonylContact O-C 3.56Å; A300-D337 VanDerWaalsContact O-CA 3.25Å; A300-D337 WeakPolarHBondContact O-CA 3.35Å; A300-P338 HydrophobicContact CB-CG 4.23Å; A300-P338 PolarHBondContact N-O 3.38Å; A300-F340 HydrophobicContact CB-CE2 4.14Å
301R86.4Confident83.8Confident48 Ų4843.1 Ų43.118%0.18123%0.229CC..EExtended strand (participates in β ladder)trans-140.3146.5175.368.2178.9-174.4-162.41.3112.4G278 D279 L303 D337 W409G278-R301 VanDerWaalsContact CA-O 3.27Å; G278-R301 WeakPolarHBondContact CA-O 3.41Å; D279-R301 HydrophobicContact CB-CG 3.97Å; D279-R301 PolarHBondContact N-O 3.34Å; D279-R301 PolarHBondContact O-N 2.92Å; D279-R301 IonicContact OD2-CZ 3.45Å; D279-R301 VanDerWaalsContact OD2-CZ 3.25Å; D279-R301 IonicContact OD2-NE 2.75Å; D279-R301 PolarHBondContact OD2-NE 3.21Å; D279-R301 IonicContact OD2-NH2 2.81Å; D279-R301 PolarHBondContact OD2-NH2 3.14Å; R301-L303 VanDerWaalsContact C-N 3.27Å; R301-L303 PolarHBondContact O-N 2.85Å; R301-D337 WeakPolarHBondContact CA-OD1 3.26Å; R301-W409 HydrophobicContact CB-CH2 4.13Å; R301-W409 HydrophobicContact CB-CZ3 4.1Å; R301-W409 HydrophobicContact CG-CE3 4.17Å; R301-W409 HydrophobicContact CG-CH2 3.89Å; R301-W409 HydrophobicContact CG-CZ3 3.54Å
302G78.3Confident83.6Confident22 Ų2239.9 Ų39.923%0.22721%0.214CC..SBendtrans59.133.5176.300000114.2G278 Q336 D337G278-G302 VanDerWaalsContact CA-O 3.29Å; G278-G302 WeakPolarHBondContact CA-O 3.48Å; G302-Q336 PolarHBondContact N-O 2.83Å; G302-D337 PolarHBondContact N-OD1 2.86Å
303L81.8Confident83.5Confident4 Ų434.5 Ų34.52%0.02119%0.194CC..  trans-66.6132.6176.3-63.4-178000110.9L277 A300 R301 L305 V311 Q336 P338 L362 L412L277-L303 VanDerWaalsContact O-CD2 3.32Å; L277-L303 WeakPolarHBondContact O-CD2 3.4Å; A300-L303 HydrophobicContact CB-CD1 3.9Å; A300-L303 HydrophobicContact CB-CD2 3.89Å; A300-L303 HydrophobicContact CB-CG 3.91Å; R301-L303 VanDerWaalsContact C-N 3.27Å; R301-L303 PolarHBondContact O-N 2.85Å; L303-L305 HydrophobicContact CB-CD2 3.88Å; L303-L305 HydrophobicContact CB-CG 4.22Å; L303-L305 HydrophobicContact CD1-CD2 4.06Å; L303-L305 PolarHBondContact O-N 2.84Å; L303-L305 VanDerWaalsContact O-N 3.14Å; L303-V311 HydrophobicContact CD1-CG2 4.47Å; L303-Q336 WeakPolarHBondContact CB-O 3.32Å; L303-Q336 WeakPolarHBondContact CG-O 3.38Å; L303-Q336 PolarHBondContact N-O 2.96Å; L303-P338 HydrophobicContact CD1-CG 3.47Å; L303-P338 VanDerWaalsContact CD1-CG 3.47Å; L303-L362 HydrophobicContact CD1-CD2 3.86Å; L303-L362 HydrophobicContact CD2-CD2 3.51Å; L303-L362 HydrophobicContact CG-CD2 4.34Å; L303-L412 HydrophobicContact CD2-CD1 3.64Å
304Q72.4Confident83.5Confident135 Ų13536.7 Ų36.763%0.63120%0.204SC*.  trans-83.582.3168.2-64.1-165.320.400110E276E276-Q304 WeakPolarHBondContact O-CG 3.34Å; E276-Q304 PolarHBondContact O-NE2 3.34Å
305L70.3Confident83.5Confident43 Ų4336 Ų3623%0.22520%0.199CC..  trans-76129.4173.5-58.2-163.9000110.8L303 V311 G334 E335 L376L303-L305 HydrophobicContact CB-CD2 3.88Å; L303-L305 HydrophobicContact CB-CG 4.22Å; L303-L305 HydrophobicContact CD1-CD2 4.06Å; L303-L305 PolarHBondContact O-N 2.84Å; L303-L305 VanDerWaalsContact O-N 3.14Å; L305-V311 HydrophobicContact CD1-CG1 4.24Å; L305-V311 HydrophobicContact CD2-CG1 3.48Å; L305-V311 VanDerWaalsContact CD2-CG1 3.48Å; L305-G334 VanDerWaalsContact CD1-O 3.24Å; L305-G334 WeakPolarHBondContact CD1-O 3.27Å; L305-E335 VanDerWaalsContact CD1-O 3.3Å; L305-E335 WeakPolarHBondContact CD1-O 3.13Å; L305-E335 WeakPolarHBondContact CG-O 3.44Å; L305-L376 HydrophobicContact CD2-CD1 3.77Å
306L61.1Low83.5Confident150 Ų15035.9 Ų35.979%0.78520%0.199SC*.SBendtrans-89.7-12.8177.3-72.8142.8000112.3
307T65.2Low83.5Confident86 Ų8635.2 Ų35.253%0.52819%0.194SC..SBendtrans-157.3143.6-171.7-48.70000111.8A309 H364T307-A309 HydrophobicContact CG2-CB 4.15Å; T307-A309 PolarHBondContact O-N 3.43Å; T307-H364 PolarHBondContact O-CE1 3.43Å
308D67.9Low83.5Confident119 Ų11937 Ų3764%0.63620%0.203SC*.THydrogen-bonded Turntrans-71.222.7173.1-17552000114.2G310 K333D308-G310 PolarHBondContact O-N 3.03Å; D308-K333 PolarHBondContact O-NZ 3.33Å; D308-K333 IonicContact OD2-NZ 3.6Å; D308-K333 PolarHBondContact OD2-NZ 3.34Å
309A71.1Confident83.6Confident35 Ų3536.9 Ų36.929%0.28920%0.202SC..THydrogen-bonded Turntrans-65.7-14.617300000112.3T307 P365T307-A309 HydrophobicContact CG2-CB 4.15Å; T307-A309 PolarHBondContact O-N 3.43Å; A309-P365 HydrophobicContact CB-CG 4.13Å; A309-P365 WeakPolarHBondContact O-CG 3.09Å
310G81.1Confident83.5Confident1 Ų141.8 Ų41.81%0.0122%0.222CC..  trans75.4-172.7-166.800000111.6D308 V332 H364 P365D308-G310 PolarHBondContact O-N 3.03Å; G310-V332 CarbonylContact C-O 3.49Å; G310-V332 VanDerWaalsContact CA-O 3.31Å; G310-V332 WeakPolarHBondContact CA-O 3.46Å; G310-H364 PolarHBondContact O-ND1 2.89Å; G310-P365 WeakPolarHBondContact O-CD 3.2Å
311V88Confident83.3Confident0 Ų047.7 Ų47.70%026%0.258CS..BIsolated β-bridgetrans-136.1150.4-177.8-71.80000111.9L303 L305 V331 V332 P338 F340 L362 L376L303-V311 HydrophobicContact CD1-CG2 4.47Å; L305-V311 HydrophobicContact CD1-CG1 4.24Å; L305-V311 HydrophobicContact CD2-CG1 3.48Å; L305-V311 VanDerWaalsContact CD2-CG1 3.48Å; V311-V331 WeakPolarHBondContact O-CA 3.43Å; V311-V332 PolarHBondContact N-O 3.11Å; V311-V332 PolarHBondContact O-N 3.46Å; V311-P338 HydrophobicContact CG2-CB 4.21Å; V311-P338 HydrophobicContact CG2-CG 3.9Å; V311-F340 HydrophobicContact CG2-CE1 4.04Å; V311-F340 HydrophobicContact CG2-CZ 3.67Å; V311-L362 HydrophobicContact CB-CD1 4.05Å; V311-L362 HydrophobicContact CG2-CD1 4.38Å; V311-L376 HydrophobicContact CG1-CD1 3.48Å; V311-L376 VanDerWaalsContact CG1-CD1 3.48Å
312C89.8Confident83.5Confident3 Ų352.4 Ų52.42%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-129.1154.6169.870.80000110.3V331 Q363C312-V331 HydrophobicContact CB-CG2 4.3Å; C312-Q363 PolarHBondContact N-O 2.94Å; C312-Q363 PolarHBondContact O-N 2.85Å; C312-Q363 VanDerWaalsContact O-O 3.14Å; C312-Q363 PolarHBondContact SG-O 2.99Å
313V92.3Very high84.2Confident0 Ų056.7 Ų56.70%030%0.298CS..EExtended strand (participates in β ladder)trans-111127.4178.3171.60000109.5V297 V315 R328 S329 F340 F360 L362V297-V313 HydrophobicContact CG1-CG2 4.43Å; V297-V313 HydrophobicContact CG2-CG1 4.07Å; V313-V315 HydrophobicContact CG1-CG2 3.93Å; V313-R328 CarbonylContact O-C 3.58Å; V313-R328 VanDerWaalsContact O-CA 3.27Å; V313-R328 WeakPolarHBondContact O-CA 3.44Å; V313-R328 WeakPolarHBondContact O-CG 3.47Å; V313-S329 PolarHBondContact N-OG 2.89Å; V313-S329 PolarHBondContact O-N 2.95Å; V313-F340 HydrophobicContact CG2-CD1 4.16Å; V313-F340 HydrophobicContact CG2-CD2 4.36Å; V313-F340 HydrophobicContact CG2-CE1 3.77Å; V313-F340 HydrophobicContact CG2-CE2 4Å; V313-F340 HydrophobicContact CG2-CG 4.44Å; V313-F340 HydrophobicContact CG2-CZ 3.68Å; V313-F360 HydrophobicContact CB-CE2 4.36Å; V313-F360 HydrophobicContact CB-CZ 4.44Å; V313-F360 HydrophobicContact CG1-CD2 3.75Å; V313-F360 HydrophobicContact CG1-CE2 3.31Å; V313-F360 HydrophobicContact CG1-CZ 3.73Å; V313-F360 HydrophobicContact CG2-CE2 4.08Å; V313-F360 HydrophobicContact CG2-CZ 3.81Å; V313-L362 HydrophobicContact CG2-CD1 3.72Å
314Q93.6Very high84.7Confident46 Ų4660.5 Ų60.522%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-104.1137.6167.4176.8162-9000109.4T326 K327 R328 F360 E361Q314-T326 HydrophobicContact CG-CG2 3.53Å; Q314-K327 CarbonylContact C-O 3.54Å; Q314-K327 WeakPolarHBondContact CA-O 3.46Å; Q314-R328 HydrophobicContact CB-CG 4.23Å; Q314-F360 CarbonylContact O-C 3.56Å; Q314-E361 HydrophobicContact CB-CB 4.31Å; Q314-E361 PolarHBondContact N-O 3.27Å; Q314-E361 PolarHBondContact NE2-OE2 3.38Å; Q314-E361 PolarHBondContact O-N 3.37Å
315V95.3Very high85.7Confident0 Ų059.6 Ų59.60%031%0.314CS..EExtended strand (participates in β ladder)trans-133127.6170.7-176.50000108.7L295 V313 T326 K327 M344 F346 L358 R359 F360L295-V315 HydrophobicContact CD1-CG1 4.5Å; V313-V315 HydrophobicContact CG1-CG2 3.93Å; V315-T326 WeakPolarHBondContact O-CA 3.45Å; V315-K327 PolarHBondContact N-O 2.81Å; V315-K327 PolarHBondContact O-N 3.22Å; V315-M344 HydrophobicContact CB-CE 3.93Å; V315-M344 HydrophobicContact CB-SD 3.51Å; V315-M344 VanDerWaalsContact CB-SD 3.51Å; V315-M344 HydrophobicContact CG1-SD 3.91Å; V315-M344 HydrophobicContact CG2-CE 3.48Å; V315-M344 VanDerWaalsContact CG2-CE 3.48Å; V315-M344 HydrophobicContact CG2-SD 3.67Å; V315-F346 HydrophobicContact CB-CZ 4.42Å; V315-F346 HydrophobicContact CG1-CE2 4.35Å; V315-F346 HydrophobicContact CG1-CZ 4.09Å; V315-L358 HydrophobicContact CG1-CB 4.29Å; V315-L358 HydrophobicContact CG1-CD2 4.2Å; V315-R359 WeakPolarHBondContact CA-O 3.45Å; V315-F360 HydrophobicContact CG2-CB 4.33Å; V315-F360 HydrophobicContact CG2-CD2 3.9Å; V315-F360 HydrophobicContact CG2-CG 4.45Å
316S95.1Very high86.8Confident0 Ų060.2 Ų60.20%032%0.32CS..EExtended strand (participates in β ladder)trans-112.4129.3173.764.10000110.8Q318 K325 T326 L358 R359S316-Q318 PolarHBondContact OG-NE2 3.16Å; S316-K325 WeakPolarHBondContact CA-O 3.39Å; S316-T326 VanDerWaalsContact CB-OG1 3.29Å; S316-T326 WeakPolarHBondContact CB-OG1 3.47Å; S316-L358 WeakPolarHBondContact O-CA 3.39Å; S316-R359 PolarHBondContact N-O 2.89Å; S316-R359 PolarHBondContact O-N 2.92Å
317L96.3Very high88.4Confident2 Ų256 Ų561%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-81.9122.916317564.7000108L293 V324 K325 F346 A356 L358L293-L317 HydrophobicContact CD2-CD1 4.41Å; L317-V324 PolarHBondContact O-N 2.85Å; L317-K325 PolarHBondContact N-O 2.69Å; L317-K325 PolarHBondContact O-N 3.26Å; L317-F346 HydrophobicContact CB-CD1 3.77Å; L317-F346 HydrophobicContact CB-CE1 4.04Å; L317-F346 HydrophobicContact CB-CG 4.21Å; L317-F346 HydrophobicContact CD2-CB 3.83Å; L317-F346 HydrophobicContact CD2-CD1 4.32Å; L317-F346 HydrophobicContact CD2-CG 4.29Å; L317-A356 HydrophobicContact CD1-CB 4.1Å; L317-L358 HydrophobicContact CB-CD2 3.99Å; L317-L358 HydrophobicContact CD1-CD2 3.92Å
318Q94.8Very high89.7Confident37 Ų3758.7 Ų58.717%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-115.2145.1175-50.4-172.4-1.200108.6S316 Q322 A356 C357S316-Q318 PolarHBondContact OG-NE2 3.16Å; Q318-Q322 CarbonylContact C-O 3.53Å; Q318-Q322 VanDerWaalsContact CA-O 3.27Å; Q318-Q322 WeakPolarHBondContact CA-O 3.42Å; Q318-A356 VanDerWaalsContact O-CA 3.26Å; Q318-A356 WeakPolarHBondContact O-CA 3.36Å; Q318-C357 PolarHBondContact N-O 3.22Å; Q318-C357 PolarHBondContact O-N 2.75Å
319I93.8Very high90.7Very high28 Ų2853.6 Ų53.614%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-130.4127.9173.5-59.1-176.2000107.2T321 Q322 V324 L348 H352 D355 A356I319-T321 PolarHBondContact O-N 2.8Å; I319-Q322 PolarHBondContact N-O 3.32Å; I319-Q322 PolarHBondContact O-N 2.83Å; I319-V324 HydrophobicContact CB-CG2 3.91Å; I319-V324 HydrophobicContact CD1-CG2 3.95Å; I319-V324 HydrophobicContact CG1-CG2 3.75Å; I319-L348 HydrophobicContact CD1-CD1 3.8Å; I319-L348 HydrophobicContact CG1-CD1 4.43Å; I319-H352 HydrophobicContact CD1-CB 4.11Å; I319-H352 HydrophobicContact CG2-CB 4.3Å; I319-D355 WeakPolarHBondContact CA-O 3.49Å; I319-D355 HydrophobicContact CG2-CB 4.19Å; I319-A356 HydrophobicContact CG1-CB 4.04Å
320H89.9Confident91.4Very high112 Ų11256 Ų5652%0.51928%0.283SS..THydrogen-bonded Turntrans53.1-104-164.4-68.958.2000110.7D355 Y386H320-D355 IonicContact CE1-OD1 3.07Å; H320-D355 IonicContact CE1-OD2 3.03Å; H320-D355 PolarHBondContact CE1-OD2 2.88Å; H320-D355 PolarHBondContact N-O 3.36Å; H320-Y386 VanDerWaalsContact CA-OH 3.23Å; H320-Y386 WeakPolarHBondContact CA-OH 3.39Å; H320-Y386 PolarHBondContact N-OH 3.34Å; H320-Y386 PolarHBondContact O-OH 3.48Å
321T85.7Confident91.7Very high131 Ų13159.3 Ų59.380%0.80430%0.303SS*.THydrogen-bonded Turntrans-117.1-1.4177.254.40000113.2I319I319-T321 PolarHBondContact O-N 2.8Å
322Q90.7Very high91.5Very high147 Ų14760.6 Ų60.669%0.68731%0.311SS*.EExtended strand (participates in β ladder)trans-98.3131.6-173.7-63.7-170.75.400111.8Q318 I319 V324Q318-Q322 CarbonylContact C-O 3.53Å; Q318-Q322 VanDerWaalsContact CA-O 3.27Å; Q318-Q322 WeakPolarHBondContact CA-O 3.42Å; I319-Q322 PolarHBondContact N-O 3.32Å; I319-Q322 PolarHBondContact O-N 2.83Å; Q322-V324 PolarHBondContact O-N 3.29Å
323M91.9Very high90.9Very high112 Ų11266.9 Ų66.955%0.55234%0.338SS*.EExtended strand (participates in β ladder)trans-79.1100.2175.3-171.8178.6-69.700110.1T326M323-T326 PolarHBondContact SD-OG1 3.43Å
324V92.2Very high89.5Confident83 Ų8368.2 Ų68.250%0.50335%0.352SS..EExtended strand (participates in β ladder)trans-79.5-39.5-172.7178.40000112.2L317 I319 Q322L317-V324 PolarHBondContact O-N 2.85Å; I319-V324 HydrophobicContact CB-CG2 3.91Å; I319-V324 HydrophobicContact CD1-CG2 3.95Å; I319-V324 HydrophobicContact CG1-CG2 3.75Å; Q322-V324 PolarHBondContact O-N 3.29Å
325K93.8Very high88.2Confident116 Ų11674.2 Ų74.250%0.50438%0.38SS..EExtended strand (participates in β ladder)trans-160.2128-179.8-165.5159.8-164.7156.60113.3S316 L317 F346S316-K325 WeakPolarHBondContact CA-O 3.39Å; L317-K325 PolarHBondContact N-O 2.69Å; L317-K325 PolarHBondContact O-N 3.26Å; K325-F346 HydrophobicContact CB-CD1 4.14Å; K325-F346 HydrophobicContact CB-CE1 4.38Å; K325-F346 HydrophobicContact CG-CD1 4.33Å; K325-F346 HydrophobicContact CG-CE1 4.46Å; K325-F346 WeakPolarHBondContact O-CE1 3.3Å
326T94.3Very high87Confident57 Ų5779.7 Ų79.735%0.3541%0.406SS..EExtended strand (participates in β ladder)trans-109.7144.9175.1-56.10000111.1Q314 V315 S316 M323Q314-T326 HydrophobicContact CG-CG2 3.53Å; V315-T326 WeakPolarHBondContact O-CA 3.45Å; S316-T326 VanDerWaalsContact CB-OG1 3.29Å; S316-T326 WeakPolarHBondContact CB-OG1 3.47Å; M323-T326 PolarHBondContact SD-OG1 3.43Å
327K94Very high86.5Confident61 Ų6184.7 Ų84.727%0.26543%0.432SS..EExtended strand (participates in β ladder)trans-136.4140.8175.3-74.1-179.3161.6-72.20109.1Q314 V315 M344 T345 F346Q314-K327 CarbonylContact C-O 3.54Å; Q314-K327 WeakPolarHBondContact CA-O 3.46Å; V315-K327 PolarHBondContact N-O 2.81Å; V315-K327 PolarHBondContact O-N 3.22Å; K327-M344 HydrophobicContact CD-CB 3.72Å; K327-T345 VanDerWaalsContact CE-O 3.25Å; K327-T345 WeakPolarHBondContact CE-O 3.24Å; K327-F346 HydrophobicContact CB-CZ 4.46Å; K327-F346 HydrophobicContact CD-CE1 3.99Å; K327-F346 HydrophobicContact CD-CZ 4.06Å; K327-F346 HydrophobicContact CG-CE1 4.16Å; K327-F346 HydrophobicContact CG-CZ 4.4Å
328R91.4Very high85.9Confident143 Ų14384.8 Ų84.854%0.5443%0.433SS..EExtended strand (participates in β ladder)trans-127.1140.9177.5-161.8172.573.6177.44.4110.4V313 Q314 Y342V313-R328 CarbonylContact O-C 3.58Å; V313-R328 VanDerWaalsContact O-CA 3.27Å; V313-R328 WeakPolarHBondContact O-CA 3.44Å; V313-R328 WeakPolarHBondContact O-CG 3.47Å; Q314-R328 HydrophobicContact CB-CG 4.23Å; R328-Y342 PolarHBondContact O-OH 2.8Å; R328-Y342 VanDerWaalsContact O-OH 3.12Å
329S90Very high85.6Confident11 Ų1188.7 Ų88.78%0.07745%0.454CS..PPolyproline II helixtrans-71.3172.5174.270.10000111.9V313V313-S329 PolarHBondContact N-OG 2.89Å; V313-S329 PolarHBondContact O-N 2.95Å
330C85.8Confident85.3Confident85 Ų8588.2 Ų88.257%0.57445%0.451SS*.PPolyproline II helixtrans-61.9164.8153.949.70000111
331V86.9Confident85.3Confident72 Ų7287.9 Ų87.944%0.43645%0.453SS..PPolyproline II helixtrans-74.5131.8166.8179.80000108.7V311 C312 P365V311-V331 WeakPolarHBondContact O-CA 3.43Å; C312-V331 HydrophobicContact CB-CG2 4.3Å; V331-P365 HydrophobicContact CG1-CG 3.89Å; V331-P365 HydrophobicContact CG2-CB 3.7Å; V331-P365 HydrophobicContact CG2-CG 3.93Å
332V84.2Confident85.7Confident27 Ų2784.5 Ų84.516%0.16443%0.426CS..BIsolated β-bridgetrans-109.1127.5170.5178.50000107.9G310 V311 P338 F340G310-V332 CarbonylContact C-O 3.49Å; G310-V332 VanDerWaalsContact CA-O 3.31Å; G310-V332 WeakPolarHBondContact CA-O 3.46Å; V311-V332 PolarHBondContact N-O 3.11Å; V311-V332 PolarHBondContact O-N 3.46Å; V332-P338 HydrophobicContact CG1-CB 3.98Å; V332-F340 HydrophobicContact CB-CD1 4.19Å; V332-F340 HydrophobicContact CB-CE1 4.06Å; V332-F340 HydrophobicContact CG2-CD1 3.61Å; V332-F340 HydrophobicContact CG2-CE1 3.96Å
333K76.6Confident85.9Confident134 Ų13485.3 Ų85.358%0.58342%0.423SS*.  trans-90.6138.1167.4-71.9-166.5165.8-123.70109.6D308D308-K333 PolarHBondContact O-NZ 3.33Å; D308-K333 IonicContact OD2-NZ 3.6Å; D308-K333 PolarHBondContact OD2-NZ 3.34Å
334G62.5Low86Confident28 Ų2880.2 Ų80.229%0.28940%0.397SS..  trans167.4143.7-178.100000109.8L305L305-G334 VanDerWaalsContact CD1-O 3.24Å; L305-G334 WeakPolarHBondContact CD1-O 3.27Å
335E67.8Low86.1Confident173 Ų17378.6 Ų78.681%0.80839%0.388SS*.SBendtrans-70.6-53.1-162-59.8-179159.600114.4L305L305-E335 VanDerWaalsContact CD1-O 3.3Å; L305-E335 WeakPolarHBondContact CD1-O 3.13Å; L305-E335 WeakPolarHBondContact CG-O 3.44Å
336Q70.5Confident86.2Confident115 Ų11573.3 Ų73.354%0.53737%0.365SS..SBendtrans-140.6-28.6-175.5-60.9-174.113.600113.2G302 L303 P338G302-Q336 PolarHBondContact N-O 2.83Å; L303-Q336 WeakPolarHBondContact CB-O 3.32Å; L303-Q336 WeakPolarHBondContact CG-O 3.38Å; L303-Q336 PolarHBondContact N-O 2.96Å; Q336-P338 VanDerWaalsContact O-CD 3.26Å; Q336-P338 WeakPolarHBondContact O-CD 3.39Å
337D82.6Confident86.2Confident104 Ų10478.3 Ų78.356%0.55638%0.381SS*.SBendtrans-118.860.6-175.8-57.2-27.4000112.8A300 R301 G302A300-D337 CarbonylContact O-C 3.56Å; A300-D337 VanDerWaalsContact O-CA 3.25Å; A300-D337 WeakPolarHBondContact O-CA 3.35Å; R301-D337 WeakPolarHBondContact CA-OD1 3.26Å; G302-D337 PolarHBondContact N-OD1 2.86Å
338P85.6Confident86.2Confident4 Ų475.5 Ų75.53%0.02637%0.369CS..  trans-71.8132.9-174.629.3-34.9000112.6G299 A300 L303 V311 V332 Q336 F340G299-P338 CarbonylContact C-O 3.59Å; G299-P338 WeakPolarHBondContact CA-O 3.26Å; A300-P338 HydrophobicContact CB-CG 4.23Å; A300-P338 PolarHBondContact N-O 3.38Å; L303-P338 HydrophobicContact CD1-CG 3.47Å; L303-P338 VanDerWaalsContact CD1-CG 3.47Å; V311-P338 HydrophobicContact CG2-CB 4.21Å; V311-P338 HydrophobicContact CG2-CG 3.9Å; V332-P338 HydrophobicContact CG1-CB 3.98Å; Q336-P338 VanDerWaalsContact O-CD 3.26Å; Q336-P338 WeakPolarHBondContact O-CD 3.39Å; P338-F340 HydrophobicContact CB-CE2 4.38Å; P338-F340 HydrophobicContact CB-CZ 4.32Å; P338-F340 HydrophobicContact CG-CE2 3.99Å; P338-F340 HydrophobicContact CG-CZ 4.03Å
339I87.6Confident86.3Confident119 Ų11974.7 Ų74.761%0.6137%0.366SS*.EExtended strand (participates in β ladder)trans-91.9120.9175.1-59.7173.3000108.8N341I339-N341 VanDerWaalsContact CG2-ND2 3.3Å; I339-N341 WeakPolarHBondContact CG2-ND2 3.31Å
340F88.3Confident86.3Confident19 Ų1976.9 Ų76.98%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-98.1-42.5-179.1-66-78.6000112.8V297 L298 A300 V311 V313 V332 P338 Y342 L362V297-F340 HydrophobicContact CB-CB 4.19Å; V297-F340 HydrophobicContact CG1-CB 4.02Å; V297-F340 HydrophobicContact CG1-CD2 3.72Å; V297-F340 HydrophobicContact CG1-CG 4.06Å; L298-F340 PolarHBondContact O-N 3.19Å; A300-F340 HydrophobicContact CB-CE2 4.14Å; V311-F340 HydrophobicContact CG2-CE1 4.04Å; V311-F340 HydrophobicContact CG2-CZ 3.67Å; V313-F340 HydrophobicContact CG2-CD1 4.16Å; V313-F340 HydrophobicContact CG2-CD2 4.36Å; V313-F340 HydrophobicContact CG2-CE1 3.77Å; V313-F340 HydrophobicContact CG2-CE2 4Å; V313-F340 HydrophobicContact CG2-CG 4.44Å; V313-F340 HydrophobicContact CG2-CZ 3.68Å; V332-F340 HydrophobicContact CB-CD1 4.19Å; V332-F340 HydrophobicContact CB-CE1 4.06Å; V332-F340 HydrophobicContact CG2-CD1 3.61Å; V332-F340 HydrophobicContact CG2-CE1 3.96Å; P338-F340 HydrophobicContact CB-CE2 4.38Å; P338-F340 HydrophobicContact CB-CZ 4.32Å; P338-F340 HydrophobicContact CG-CE2 3.99Å; P338-F340 HydrophobicContact CG-CZ 4.03Å; F340-Y342 PolarHBondContact O-N 3.35Å; F340-L362 HydrophobicContact CZ-CD1 3.92Å
341N89.9Confident86.6Confident105 Ų10579.8 Ų79.856%0.56139%0.385SS*.EExtended strand (participates in β ladder)trans42.626.9-168.9-74.3-41.3000115V297 L298 I339 R343V297-N341 CarbonylContact O-C 3.6Å; V297-N341 WeakPolarHBondContact O-CA 3.45Å; V297-N341 PolarHBondContact O-N 2.99Å; L298-N341 PolarHBondContact O-N 3.49Å; I339-N341 VanDerWaalsContact CG2-ND2 3.3Å; I339-N341 WeakPolarHBondContact CG2-ND2 3.31Å; N341-R343 PolarHBondContact O-N 3.17Å
342Y93.3Very high86.8Confident60 Ų6079 Ų7924%0.23538%0.377CS..EExtended strand (participates in β ladder)trans-86.1105.7-167.8-176.7-109.9000110.7V296 V297 R328 F340 M344V296-Y342 WeakPolarHBondContact CA-O 3.27Å; V297-Y342 PolarHBondContact N-O 2.86Å; V297-Y342 PolarHBondContact O-N 2.89Å; R328-Y342 PolarHBondContact O-OH 2.8Å; R328-Y342 VanDerWaalsContact O-OH 3.12Å; F340-Y342 PolarHBondContact O-N 3.35Å; Y342-M344 HydrophobicContact CD1-CE 3.57Å; Y342-M344 HydrophobicContact CE1-CB 4.43Å; Y342-M344 HydrophobicContact CE1-CE 3.62Å
343R94.1Very high87.1Confident164 Ų16478.6 Ų78.662%0.61937%0.374SS*.EExtended strand (participates in β ladder)trans-84131.5176.9179.9177.7-65.7-933.9111.3V296 N341V296-R343 HydrophobicContact CG2-CB 4.07Å; V296-R343 HydrophobicContact CG2-CG 4.04Å; N341-R343 PolarHBondContact O-N 3.17Å
344M94.2Very high87.8Confident4 Ų476.9 Ų76.92%0.0237%0.371CS..EExtended strand (participates in β ladder)trans-132.3151.317360.2-178.182.600111.6L295 V297 V315 K327 Y342 F346L295-M344 HydrophobicContact CB-CG 3.8Å; L295-M344 HydrophobicContact CB-SD 4.41Å; L295-M344 HydrophobicContact CD2-CE 3.83Å; L295-M344 HydrophobicContact CD2-CG 3.85Å; L295-M344 HydrophobicContact CD2-SD 3.86Å; L295-M344 HydrophobicContact CG-CG 4.42Å; L295-M344 PolarHBondContact N-O 2.84Å; L295-M344 WeakPolarHBondContact O-CG 3.29Å; L295-M344 PolarHBondContact O-N 2.84Å; V297-M344 HydrophobicContact CG2-CE 4.13Å; V315-M344 HydrophobicContact CB-CE 3.93Å; V315-M344 HydrophobicContact CB-SD 3.51Å; V315-M344 VanDerWaalsContact CB-SD 3.51Å; V315-M344 HydrophobicContact CG1-SD 3.91Å; V315-M344 HydrophobicContact CG2-CE 3.48Å; V315-M344 VanDerWaalsContact CG2-CE 3.48Å; V315-M344 HydrophobicContact CG2-SD 3.67Å; K327-M344 HydrophobicContact CD-CB 3.72Å; Y342-M344 HydrophobicContact CD1-CE 3.57Å; Y342-M344 HydrophobicContact CE1-CB 4.43Å; Y342-M344 HydrophobicContact CE1-CE 3.62Å; M344-F346 HydrophobicContact CB-CE2 4.43Å; M344-F346 HydrophobicContact CG-CE2 3.84Å; M344-F346 HydrophobicContact CG-CZ 4.36Å; M344-F346 HydrophobicContact SD-CE2 3.6Å; M344-F346 HydrophobicContact SD-CZ 3.69Å
345T94.9Very high89.3Confident49 Ų4977.5 Ų77.530%0.30137%0.368SS..EExtended strand (participates in β ladder)trans-133.8141.917659.60000110.9L293 K327L293-T345 CarbonylContact O-C 3.51Å; L293-T345 WeakPolarHBondContact O-CA 3.13Å; K327-T345 VanDerWaalsContact CE-O 3.25Å; K327-T345 WeakPolarHBondContact CE-O 3.24Å
346F95.3Very high90.6Very high5 Ų569.3 Ų69.32%0.02233%0.329CS..EExtended strand (participates in β ladder)trans-125.4147.8177.9-55.8-88.6000109.2R292 L293 V315 L317 K325 K327 M344 L358R292-F346 WeakPolarHBondContact CA-O 3.44Å; L293-F346 HydrophobicContact CB-CB 4.45Å; L293-F346 PolarHBondContact N-O 3.12Å; L293-F346 PolarHBondContact O-N 3.34Å; V315-F346 HydrophobicContact CB-CZ 4.42Å; V315-F346 HydrophobicContact CG1-CE2 4.35Å; V315-F346 HydrophobicContact CG1-CZ 4.09Å; L317-F346 HydrophobicContact CB-CD1 3.77Å; L317-F346 HydrophobicContact CB-CE1 4.04Å; L317-F346 HydrophobicContact CB-CG 4.21Å; L317-F346 HydrophobicContact CD2-CB 3.83Å; L317-F346 HydrophobicContact CD2-CD1 4.32Å; L317-F346 HydrophobicContact CD2-CG 4.29Å; K325-F346 HydrophobicContact CB-CD1 4.14Å; K325-F346 HydrophobicContact CB-CE1 4.38Å; K325-F346 HydrophobicContact CG-CD1 4.33Å; K325-F346 HydrophobicContact CG-CE1 4.46Å; K325-F346 WeakPolarHBondContact O-CE1 3.3Å; K327-F346 HydrophobicContact CB-CZ 4.46Å; K327-F346 HydrophobicContact CD-CE1 3.99Å; K327-F346 HydrophobicContact CD-CZ 4.06Å; K327-F346 HydrophobicContact CG-CE1 4.16Å; K327-F346 HydrophobicContact CG-CZ 4.4Å; M344-F346 HydrophobicContact CB-CE2 4.43Å; M344-F346 HydrophobicContact CG-CE2 3.84Å; M344-F346 HydrophobicContact CG-CZ 4.36Å; M344-F346 HydrophobicContact SD-CE2 3.6Å; M344-F346 HydrophobicContact SD-CZ 3.69Å; F346-L358 HydrophobicContact CD2-CD2 4.05Å; F346-L358 HydrophobicContact CE2-CD2 3.86Å; F346-L358 HydrophobicContact CZ-CD2 4.33Å
347K94.3Very high91.7Very high162 Ų16264 Ų6470%0.70431%0.305SS*.EExtended strand (participates in β ladder)trans-90.5117.3171.5-171.6177.5-176.2177.20107.6Q291Q291-K347 CarbonylContact O-C 3.45Å; Q291-K347 WeakPolarHBondContact O-CA 3.22Å
348L93.9Very high92.4Very high2 Ų259 Ų591%0.0128%0.278CS..  trans-138119.2-178.2-179.262.8000108.5Y286 Q291 L293 I319 H352 L353 A356 W395Y286-L348 HydrophobicContact CE2-CB 4.31Å; Y286-L348 WeakPolarHBondContact CE2-O 3.47Å; Y286-L348 PolarHBondContact OH-O 2.84Å; Q291-L348 CarbonylContact C-O 3.47Å; Q291-L348 VanDerWaalsContact C-O 3.25Å; Q291-L348 WeakPolarHBondContact CA-O 3.41Å; Q291-L348 PolarHBondContact O-N 3.12Å; Q291-L348 VanDerWaalsContact O-O 3.1Å; L293-L348 HydrophobicContact CB-CB 4.23Å; L293-L348 HydrophobicContact CB-CD2 4.39Å; L293-L348 HydrophobicContact CD2-CD2 3.75Å; I319-L348 HydrophobicContact CD1-CD1 3.8Å; I319-L348 HydrophobicContact CG1-CD1 4.43Å; L348-H352 HydrophobicContact CD1-CB 3.77Å; L348-L353 HydrophobicContact CD2-CD2 3.85Å; L348-L353 HydrophobicContact CG-CD2 4.48Å; L348-A356 HydrophobicContact CD1-CB 3.78Å; L348-A356 HydrophobicContact CD2-CB 3.96Å; L348-W395 HydrophobicContact CD2-CH2 4.21Å; L348-W395 HydrophobicContact CD2-CZ2 4.43Å
349R93.5Very high92.8Very high127 Ų12762.7 Ų62.748%0.47929%0.291SS..  trans-72.6148.8176.4-68.3179.3174.9164.7-1.6109.9Q351 H352R349-Q351 HydrophobicContact CB-CB 4.42Å; R349-Q351 PolarHBondContact O-N 3.03Å; R349-H352 PolarHBondContact O-N 2.86Å
350P90.9Very high93.1Very high56 Ų5657.1 Ų57.136%0.36426%0.263SS..G310 helixtrans-54-36.9173.4-27.535.5000113Y286 H352 L353Y286-P350 WeakPolarHBondContact OH-CD 3.23Å; P350-H352 PolarHBondContact O-N 3.07Å; P350-L353 HydrophobicContact CB-CD1 4.36Å; P350-L353 PolarHBondContact O-N 2.94Å
351Q91.8Very high93.3Very high146 Ų14657 Ų5768%0.68226%0.263SS*.G310 helixtrans-56.9-8174.8-66.4172.2-38.800115.8R349R349-Q351 HydrophobicContact CB-CB 4.42Å; R349-Q351 PolarHBondContact O-N 3.03Å
352H91.8Very high93.3Very high57 Ų5752 Ų5226%0.26424%0.236SC..G310 helixtrans-127.312.1179.5-55.4-41.5000112.1I319 L348 R349 P350 D354 D355 A356I319-H352 HydrophobicContact CD1-CB 4.11Å; I319-H352 HydrophobicContact CG2-CB 4.3Å; L348-H352 HydrophobicContact CD1-CB 3.77Å; R349-H352 PolarHBondContact O-N 2.86Å; P350-H352 PolarHBondContact O-N 3.07Å; H352-D354 VanDerWaalsContact C-N 3.29Å; H352-D354 PolarHBondContact O-N 2.86Å; H352-D355 PolarHBondContact O-N 3.3Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 3.09Å; H352-A356 VanDerWaalsContact O-N 3.09Å
353L90.4Very high93.1Very high17 Ų1749.4 Ų49.49%0.08923%0.226CC..SBendtrans-66-32179-79.8168.6000112.8Y286 L348 P350 W395 I399Y286-L353 HydrophobicContact CD1-CD1 4.22Å; Y286-L353 HydrophobicContact CD1-CD2 4.34Å; Y286-L353 HydrophobicContact CD2-CD2 4.11Å; Y286-L353 HydrophobicContact CE1-CD1 3.78Å; Y286-L353 HydrophobicContact CE1-CD2 4.24Å; Y286-L353 HydrophobicContact CE1-CG 4.43Å; Y286-L353 HydrophobicContact CE2-CD2 4.02Å; Y286-L353 HydrophobicContact CG-CD2 4.28Å; L348-L353 HydrophobicContact CD2-CD2 3.85Å; L348-L353 HydrophobicContact CG-CD2 4.48Å; P350-L353 HydrophobicContact CB-CD1 4.36Å; P350-L353 PolarHBondContact O-N 2.94Å; L353-W395 HydrophobicContact CD2-CZ2 4.33Å; L353-W395 WeakPolarHBondContact O-CZ2 3.29Å; L353-W395 PolarHBondContact O-NE1 3.46Å; L353-I399 HydrophobicContact CB-CD1 4.41Å; L353-I399 HydrophobicContact CD2-CD1 4.35Å; L353-I399 HydrophobicContact CD2-CG1 4.45Å
354D91.4Very high92.6Very high98 Ų9842.4 Ų42.452%0.52420%0.2SC..SBendtrans-85.6-17.3179.7-56.5-59.2000112.8H352 P383 M385H352-D354 VanDerWaalsContact C-N 3.29Å; H352-D354 PolarHBondContact O-N 2.86Å; D354-P383 WeakPolarHBondContact O-CG 3.45Å; D354-M385 WeakPolarHBondContact O-CE 3.33Å
355D93.2Very high91.5Very high42 Ų4244.1 Ų44.123%0.22521%0.212CC..SBendtrans-103.2-2.6179.7-56.5-40000113.8I319 H320 H352 Y386I319-D355 WeakPolarHBondContact CA-O 3.49Å; I319-D355 HydrophobicContact CG2-CB 4.19Å; H320-D355 IonicContact CE1-OD1 3.07Å; H320-D355 IonicContact CE1-OD2 3.03Å; H320-D355 PolarHBondContact CE1-OD2 2.88Å; H320-D355 PolarHBondContact N-O 3.36Å; H352-D355 PolarHBondContact O-N 3.3Å; D355-Y386 PolarHBondContact O-OH 3.37Å
356A94.7Very high90.2Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-110.2143.1-17200000112.7L317 Q318 I319 L348 H352 P383 W395L317-A356 HydrophobicContact CD1-CB 4.1Å; Q318-A356 VanDerWaalsContact O-CA 3.26Å; Q318-A356 WeakPolarHBondContact O-CA 3.36Å; I319-A356 HydrophobicContact CG1-CB 4.04Å; L348-A356 HydrophobicContact CD1-CB 3.78Å; L348-A356 HydrophobicContact CD2-CB 3.96Å; H352-A356 WeakPolarHBondContact O-CB 3.27Å; H352-A356 PolarHBondContact O-N 3.09Å; H352-A356 VanDerWaalsContact O-N 3.09Å; A356-P383 WeakPolarHBondContact O-CD 3.49Å; A356-W395 HydrophobicContact CB-CZ2 4.46Å; A356-W395 WeakPolarHBondContact O-CZ2 3.37Å
357C95.1Very high88.3Confident3 Ų352.8 Ų52.82%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-135.6154.2168.269.30000112Q318 V380 L381 Y386Q318-C357 PolarHBondContact N-O 3.22Å; Q318-C357 PolarHBondContact O-N 2.75Å; C357-V380 HydrophobicContact CB-CG1 3.97Å; C357-L381 CarbonylContact C-O 3.57Å; C357-L381 WeakPolarHBondContact CA-O 3.5Å; C357-L381 WeakPolarHBondContact CB-O 3.33Å; C357-Y386 HydrophobicContact CB-CD1 3.87Å; C357-Y386 HydrophobicContact CB-CD2 4.05Å; C357-Y386 HydrophobicContact CB-CE1 4.47Å; C357-Y386 HydrophobicContact CB-CG 3.63Å; C357-Y386 WeakPolarHBondContact SG-CD1 3.48Å
358L95.9Very high86.4Confident1 Ų150 Ų501%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-100.9110.7169-66.9177.7000108.6L284 L293 L295 V315 S316 L317 F346 V380 L381 W395L284-L358 HydrophobicContact CD2-CD1 3.87Å; L293-L358 HydrophobicContact CD2-CD1 3.88Å; L293-L358 HydrophobicContact CD2-CD2 4Å; L293-L358 HydrophobicContact CD2-CG 3.99Å; L293-L358 HydrophobicContact CG-CD1 4.31Å; L295-L358 HydrophobicContact CB-CD1 4.48Å; L295-L358 HydrophobicContact CD1-CD1 3.72Å; V315-L358 HydrophobicContact CG1-CB 4.29Å; V315-L358 HydrophobicContact CG1-CD2 4.2Å; S316-L358 WeakPolarHBondContact O-CA 3.39Å; L317-L358 HydrophobicContact CB-CD2 3.99Å; L317-L358 HydrophobicContact CD1-CD2 3.92Å; F346-L358 HydrophobicContact CD2-CD2 4.05Å; F346-L358 HydrophobicContact CE2-CD2 3.86Å; F346-L358 HydrophobicContact CZ-CD2 4.33Å; L358-V380 WeakPolarHBondContact O-CA 3.38Å; L358-L381 HydrophobicContact CB-CB 4.49Å; L358-L381 PolarHBondContact N-O 3.3Å; L358-L381 PolarHBondContact O-N 3.47Å; L358-W395 HydrophobicContact CD1-CZ3 4.25Å; L358-W395 HydrophobicContact CG-CZ3 4.16Å
359R94.4Very high84.7Confident80 Ų8062 Ų6230%0.30229%0.294SS..EExtended strand (participates in β ladder)trans-91.2109.5169.4177.9179.2172.2115.9-1108.9V315 S316 E361 V378 V380V315-R359 WeakPolarHBondContact CA-O 3.45Å; S316-R359 PolarHBondContact N-O 2.89Å; S316-R359 PolarHBondContact O-N 2.92Å; R359-E361 HydrophobicContact CG-CG 4.25Å; R359-E361 IonicContact CZ-OE1 2.71Å; R359-E361 IonicContact NE-OE1 3.16Å; R359-E361 PolarHBondContact NE-OE1 3.39Å; R359-E361 IonicContact NH2-OE1 2.64Å; R359-E361 PolarHBondContact NH2-OE1 3.47Å; R359-E361 VanDerWaalsContact NH2-OE1 3.07Å; R359-V378 HydrophobicContact CG-CG1 4.33Å; R359-V380 HydrophobicContact CB-CG2 4.42Å; R359-V380 HydrophobicContact CG-CG2 4.33Å
360F94.3Very high82.8Confident3 Ų360.8 Ų60.81%0.01331%0.306CS..EExtended strand (participates in β ladder)trans-91138.9174170.4-69.9000109.6V280 I282 V297 V313 Q314 V315 L362 V378 L379 L412V280-F360 HydrophobicContact CB-CZ 4.16Å; V280-F360 HydrophobicContact CG1-CE1 4.18Å; V280-F360 HydrophobicContact CG1-CE2 4.43Å; V280-F360 HydrophobicContact CG1-CZ 4.05Å; V280-F360 HydrophobicContact CG2-CE2 3.9Å; V280-F360 HydrophobicContact CG2-CZ 3.69Å; I282-F360 HydrophobicContact CD1-CD2 3.8Å; I282-F360 HydrophobicContact CD1-CE2 4.13Å; I282-F360 HydrophobicContact CD1-CG 4.35Å; V297-F360 HydrophobicContact CG1-CE2 4.08Å; V297-F360 HydrophobicContact CG2-CD2 4.5Å; V297-F360 HydrophobicContact CG2-CE2 4.01Å; V313-F360 HydrophobicContact CB-CE2 4.36Å; V313-F360 HydrophobicContact CB-CZ 4.44Å; V313-F360 HydrophobicContact CG1-CD2 3.75Å; V313-F360 HydrophobicContact CG1-CE2 3.31Å; V313-F360 HydrophobicContact CG1-CZ 3.73Å; V313-F360 HydrophobicContact CG2-CE2 4.08Å; V313-F360 HydrophobicContact CG2-CZ 3.81Å; Q314-F360 CarbonylContact O-C 3.56Å; V315-F360 HydrophobicContact CG2-CB 4.33Å; V315-F360 HydrophobicContact CG2-CD2 3.9Å; V315-F360 HydrophobicContact CG2-CG 4.45Å; F360-L362 HydrophobicContact CE1-CB 4.11Å; F360-V378 WeakPolarHBondContact O-CA 3.47Å; F360-L379 HydrophobicContact CB-CB 4.12Å; F360-L379 HydrophobicContact CD1-CB 4.02Å; F360-L379 HydrophobicContact CG-CB 4.37Å; F360-L379 PolarHBondContact N-O 2.92Å; F360-L379 PolarHBondContact O-N 2.85Å; F360-L412 HydrophobicContact CD1-CD2 4.17Å; F360-L412 HydrophobicContact CE1-CD2 3.65Å
361E92.4Very high81.3Confident16 Ų1663.9 Ų63.98%0.07532%0.315CS..EExtended strand (participates in β ladder)trans-140.2119.8-179.2-60.9177.915100109.2Q314 R359 Q363 L375 G377Q314-E361 HydrophobicContact CB-CB 4.31Å; Q314-E361 PolarHBondContact N-O 3.27Å; Q314-E361 PolarHBondContact NE2-OE2 3.38Å; Q314-E361 PolarHBondContact O-N 3.37Å; R359-E361 HydrophobicContact CG-CG 4.25Å; R359-E361 IonicContact CZ-OE1 2.71Å; R359-E361 IonicContact NE-OE1 3.16Å; R359-E361 PolarHBondContact NE-OE1 3.39Å; R359-E361 IonicContact NH2-OE1 2.64Å; R359-E361 PolarHBondContact NH2-OE1 3.47Å; R359-E361 VanDerWaalsContact NH2-OE1 3.07Å; E361-Q363 PolarHBondContact OE2-NE2 3.48Å; E361-L375 HydrophobicContact CB-CD1 4.31Å; E361-L375 HydrophobicContact CB-CD2 4.45Å; E361-L375 HydrophobicContact CB-CG 4.42Å; E361-L375 HydrophobicContact CG-CD1 4.25Å; E361-G377 WeakPolarHBondContact CA-O 3.47Å
362L90.4Very high79.8Confident1 Ų162.2 Ų62.21%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-88.1128.3169.7-174.970.5000108.9L303 V311 V313 F340 F360 L375 L376 G377 L412L303-L362 HydrophobicContact CD1-CD2 3.86Å; L303-L362 HydrophobicContact CD2-CD2 3.51Å; L303-L362 HydrophobicContact CG-CD2 4.34Å; V311-L362 HydrophobicContact CB-CD1 4.05Å; V311-L362 HydrophobicContact CG2-CD1 4.38Å; V313-L362 HydrophobicContact CG2-CD1 3.72Å; F340-L362 HydrophobicContact CZ-CD1 3.92Å; F360-L362 HydrophobicContact CE1-CB 4.11Å; L362-L375 CarbonylContact O-C 3.58Å; L362-L375 WeakPolarHBondContact O-CD2 3.45Å; L362-L376 HydrophobicContact CB-CB 4.32Å; L362-L376 HydrophobicContact CD2-CB 3.91Å; L362-L376 HydrophobicContact CD2-CD1 4.13Å; L362-L376 HydrophobicContact CG-CB 4.05Å; L362-L376 HydrophobicContact CG-CD1 4.18Å; L362-L376 PolarHBondContact O-N 2.98Å; L362-G377 PolarHBondContact N-O 2.85Å; L362-G377 PolarHBondContact O-N 2.86Å; L362-L412 HydrophobicContact CD2-CD1 3.74Å
363Q88.6Confident78.5Confident5 Ų561.8 Ų61.82%0.02332%0.319CS..EExtended strand (participates in β ladder)trans-133.9137-172.5-68.4170.36.100110.7C312 E361 P373 A374 L375C312-Q363 PolarHBondContact N-O 2.94Å; C312-Q363 PolarHBondContact O-N 2.85Å; C312-Q363 VanDerWaalsContact O-O 3.14Å; C312-Q363 PolarHBondContact SG-O 2.99Å; E361-Q363 PolarHBondContact OE2-NE2 3.48Å; Q363-P373 HydrophobicContact CB-CB 4.31Å; Q363-P373 HydrophobicContact CG-CB 4.43Å; Q363-P373 HydrophobicContact CG-CG 4.41Å; Q363-A374 WeakPolarHBondContact CA-O 3.44Å; Q363-L375 HydrophobicContact CG-CG 4.16Å
364H83.1Confident77.8Confident16 Ų1663.8 Ų63.87%0.07434%0.338CS..PPolyproline II helixtrans-68.2141.1159.3-86.8-52.7000109.2T307 G310 N366 A374T307-H364 PolarHBondContact O-CE1 3.43Å; G310-H364 PolarHBondContact O-ND1 2.89Å; H364-N366 PolarHBondContact O-N 3.25Å; H364-A374 HydrophobicContact CB-CB 4.34Å; H364-A374 PolarHBondContact N-O 3.47Å
365P72.2Confident77.5Confident41 Ų4161.9 Ų61.927%0.26633%0.328SS..PPolyproline II helixtrans-69.8117.3171.330.1-31.6000109A309 G310 V331A309-P365 HydrophobicContact CB-CG 4.13Å; A309-P365 WeakPolarHBondContact O-CG 3.09Å; G310-P365 WeakPolarHBondContact O-CD 3.2Å; V331-P365 HydrophobicContact CG1-CG 3.89Å; V331-P365 HydrophobicContact CG2-CB 3.7Å; V331-P365 HydrophobicContact CG2-CG 3.93Å
366N66.1Low77Confident66 Ų6661.1 Ų61.135%0.35332%0.323SS..PPolyproline II helixtrans-89.3124.9169.9-158.1-11.3000108.7H364 N368 E371H364-N366 PolarHBondContact O-N 3.25Å; N366-N368 PolarHBondContact OD1-N 3.46Å; N366-E371 WeakPolarHBondContact ND2-CB 3.45Å; N366-E371 PolarHBondContact ND2-OE2 3.32Å
367D55.1Low76.6Confident169 Ų16961.1 Ų61.190%0.90432%0.323SS*.SBendtrans-75.6-31.7-178.7-140.39.5000110.4R369D367-R369 PolarHBondContact O-N 3.45Å
368N56Low76.4Confident104 Ų10461.9 Ų61.956%0.55633%0.328SS*.  trans-77.8110.2171.7-97.1-17.6000111.3N366 S370 E371N366-N368 PolarHBondContact OD1-N 3.46Å; N368-S370 PolarHBondContact O-N 2.83Å; N368-E371 PolarHBondContact O-N 3.02Å
369R56.5Low76.3Confident254 Ų25462.1 Ų62.196%0.95833%0.329SS*.THydrogen-bonded Turntrans-60.8-9.2175.9-110.6179.3176.1-91.86.3115.7D367D367-R369 PolarHBondContact O-N 3.45Å
370S54.1Low76.3Confident102 Ų10260.4 Ų60.471%0.71333%0.327SS*.THydrogen-bonded Turntrans-90.6-17.8-17551.40000114.5N368N368-S370 PolarHBondContact O-N 2.83Å
371E59.6Low76.3Confident121 Ų12160.3 Ų60.357%0.56533%0.327SS*.SBendtrans-110.4147.6-178.3-75.1-176.116500111.4N366 N368N366-E371 WeakPolarHBondContact ND2-CB 3.45Å; N366-E371 PolarHBondContact ND2-OE2 3.32Å; N368-E371 PolarHBondContact O-N 3.02Å
372P59.8Low76.4Confident110 Ų11059.5 Ų59.571%0.71432%0.323SS*.  trans-61.4141.2172.827.4-34000110.2A374P372-A374 PolarHBondContact O-N 3.44Å
373P65.9Low76.5Confident49 Ų4959.8 Ų59.832%0.31833%0.325SS..  trans-66129.8179.827.2-34000110.7Q363 L375Q363-P373 HydrophobicContact CB-CB 4.31Å; Q363-P373 HydrophobicContact CG-CB 4.43Å; Q363-P373 HydrophobicContact CG-CG 4.41Å; P373-L375 PolarHBondContact O-N 3.32Å; P373-L375 VanDerWaalsContact O-N 3.09Å
374A75.9Confident76.5Confident58 Ų5866.3 Ų66.348%0.47935%0.353SS..  trans-58.2114.2179.500000110.9Q363 H364 P372Q363-A374 WeakPolarHBondContact CA-O 3.44Å; H364-A374 HydrophobicContact CB-CB 4.34Å; H364-A374 PolarHBondContact N-O 3.47Å; P372-A374 PolarHBondContact O-N 3.44Å
375L83.8Confident76.7Confident59 Ų5970.7 Ų70.731%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-93.8113-169.9-154170000109.7E361 L362 Q363 P373 G377 V378E361-L375 HydrophobicContact CB-CD1 4.31Å; E361-L375 HydrophobicContact CB-CD2 4.45Å; E361-L375 HydrophobicContact CB-CG 4.42Å; E361-L375 HydrophobicContact CG-CD1 4.25Å; L362-L375 CarbonylContact O-C 3.58Å; L362-L375 WeakPolarHBondContact O-CD2 3.45Å; Q363-L375 HydrophobicContact CG-CG 4.16Å; P373-L375 PolarHBondContact O-N 3.32Å; P373-L375 VanDerWaalsContact O-N 3.09Å; L375-G377 VanDerWaalsContact CD2-C 3.46Å; L375-G377 WeakPolarHBondContact CD2-O 3.43Å; L375-V378 HydrophobicContact CD1-CG2 4.08Å; L375-V378 HydrophobicContact CD2-CG2 3.53Å; L375-V378 HydrophobicContact CG-CG2 4.49Å
376L82.2Confident77.5Confident26 Ų2672 Ų7214%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-81.2-32.6-175.8-70.9170.4000113.3L277 L305 V311 L362L277-L376 WeakPolarHBondContact CD1-O 3.48Å; L305-L376 HydrophobicContact CD2-CD1 3.77Å; V311-L376 HydrophobicContact CG1-CD1 3.48Å; V311-L376 VanDerWaalsContact CG1-CD1 3.48Å; L362-L376 HydrophobicContact CB-CB 4.32Å; L362-L376 HydrophobicContact CD2-CB 3.91Å; L362-L376 HydrophobicContact CD2-CD1 4.13Å; L362-L376 HydrophobicContact CG-CB 4.05Å; L362-L376 HydrophobicContact CG-CD1 4.18Å; L362-L376 PolarHBondContact O-N 2.98Å
377G87.6Confident78.6Confident0 Ų069.3 Ų69.30%036%0.362CS..EExtended strand (participates in β ladder)trans-170.1143.7176.200000114.1E361 L362 L375 G413E361-G377 WeakPolarHBondContact CA-O 3.47Å; L362-G377 PolarHBondContact N-O 2.85Å; L362-G377 PolarHBondContact O-N 2.86Å; L375-G377 VanDerWaalsContact CD2-C 3.46Å; L375-G377 WeakPolarHBondContact CD2-O 3.43Å; G377-G413 CarbonylContact C-O 3.56Å; G377-G413 WeakPolarHBondContact CA-O 3.44Å
378V91.4Very high80Confident18 Ų1871.2 Ų71.211%0.10936%0.357CS..EExtended strand (participates in β ladder)trans-108.1147.3176.3-173.10000109.7R359 F360 L375 G413 A415R359-V378 HydrophobicContact CG-CG1 4.33Å; F360-V378 WeakPolarHBondContact O-CA 3.47Å; L375-V378 HydrophobicContact CD1-CG2 4.08Å; L375-V378 HydrophobicContact CD2-CG2 3.53Å; L375-V378 HydrophobicContact CG-CG2 4.49Å; V378-G413 PolarHBondContact N-O 3.08Å; V378-G413 PolarHBondContact O-N 3.5Å; V378-A415 HydrophobicContact CG2-CB 3.94Å
379L92.9Very high81.5Confident7 Ų768.8 Ų68.84%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-143.6141.2170.3174.971000109.1V280 I282 F360 L381 Q391 H410V280-L379 HydrophobicContact CG1-CD2 3.96Å; I282-L379 HydrophobicContact CD1-CD2 3.53Å; F360-L379 HydrophobicContact CB-CB 4.12Å; F360-L379 HydrophobicContact CD1-CB 4.02Å; F360-L379 HydrophobicContact CG-CB 4.37Å; F360-L379 PolarHBondContact N-O 2.92Å; F360-L379 PolarHBondContact O-N 2.85Å; L379-L381 HydrophobicContact CD1-CD2 4.39Å; L379-L381 HydrophobicContact CD2-CD2 4.19Å; L379-L381 HydrophobicContact CD2-CG 4.31Å; L379-L381 HydrophobicContact CG-CD2 4.24Å; L379-L381 HydrophobicContact CG-CG 4.38Å; L379-Q391 HydrophobicContact CD1-CG 3.52Å; L379-H410 HydrophobicContact CD1-CB 3.89Å; L379-H410 HydrophobicContact CD2-CB 3.43Å; L379-H410 VanDerWaalsContact CD2-CB 3.43Å; L379-H410 HydrophobicContact CG-CB 4.32Å
380V94.4Very high83Confident43 Ų4361.3 Ų61.326%0.26134%0.335SS..EExtended strand (participates in β ladder)trans-121.4125.3173.3-178.80000108.7C357 L358 R359 Q391C357-V380 HydrophobicContact CB-CG1 3.97Å; L358-V380 WeakPolarHBondContact O-CA 3.38Å; R359-V380 HydrophobicContact CB-CG2 4.42Å; R359-V380 HydrophobicContact CG-CG2 4.33Å; V380-Q391 WeakPolarHBondContact O-CB 3.41Å; V380-Q391 WeakPolarHBondContact O-CG 3.3Å
381L95Very high84.8Confident1 Ų158.7 Ų58.71%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-112.2133.5173.3-57.4177.8000108.5I282 L284 C357 L358 L379 Q391I282-L381 HydrophobicContact CD1-CD1 4.01Å; I282-L381 HydrophobicContact CG2-CD1 4.13Å; L284-L381 HydrophobicContact CD1-CD1 4.07Å; L284-L381 HydrophobicContact CG-CD1 4.5Å; C357-L381 CarbonylContact C-O 3.57Å; C357-L381 WeakPolarHBondContact CA-O 3.5Å; C357-L381 WeakPolarHBondContact CB-O 3.33Å; L358-L381 HydrophobicContact CB-CB 4.49Å; L358-L381 PolarHBondContact N-O 3.3Å; L358-L381 PolarHBondContact O-N 3.47Å; L379-L381 HydrophobicContact CD1-CD2 4.39Å; L379-L381 HydrophobicContact CD2-CD2 4.19Å; L379-L381 HydrophobicContact CD2-CG 4.31Å; L379-L381 HydrophobicContact CG-CD2 4.24Å; L379-L381 HydrophobicContact CG-CG 4.38Å; L381-Q391 HydrophobicContact CD2-CB 3.84Å; L381-Q391 HydrophobicContact CD2-CG 3.8Å
382G93.8Very high86.3Confident0 Ų054.7 Ų54.70%029%0.294CS..  trans173.5-177.2-174.100000113.4W395G382-W395 VanDerWaalsContact C-CD1 3.47Å; G382-W395 VanDerWaalsContact O-CB 3.3Å; G382-W395 WeakPolarHBondContact O-CB 3.39Å
383P92.4Very high87.8Confident6 Ų654 Ų544%0.03928%0.281CS..SBendtrans-73.2177.4174.932-33.3000111D354 A356 M385 Y386 A387D354-P383 WeakPolarHBondContact O-CG 3.45Å; A356-P383 WeakPolarHBondContact O-CD 3.49Å; P383-M385 PolarHBondContact O-N 2.93Å; P383-Y386 HydrophobicContact CG-CD2 3.95Å; P383-Y386 HydrophobicContact CG-CE2 4.42Å; P383-Y386 PolarHBondContact O-N 3.46Å; P383-A387 PolarHBondContact O-N 2.98Å; P383-A387 VanDerWaalsContact O-N 3.09Å
384F88.1Confident89.1Confident142 Ų14251.6 Ų51.662%0.62327%0.266SS*.THydrogen-bonded Turntrans-58.1-21.1-16674-85000115.5L392F384-L392 HydrophobicContact CB-CD1 4.26Å; F384-L392 HydrophobicContact CB-CD2 4.16Å
385M88.8Confident90Very high108 Ų10849 Ų4953%0.53224%0.243SC..THydrogen-bonded Turntrans-72.2-27.9175.1-62.3-160.1-69.200113.1D354 P383D354-M385 WeakPolarHBondContact O-CE 3.33Å; P383-M385 PolarHBondContact O-N 2.93Å
386Y88.5Confident90.4Very high70 Ų7050.9 Ų50.928%0.27525%0.252SS..THydrogen-bonded Turntrans-110.6-26.6-173.7-61.7-84.3000113.8H320 D355 C357 P383H320-Y386 VanDerWaalsContact CA-OH 3.23Å; H320-Y386 WeakPolarHBondContact CA-OH 3.39Å; H320-Y386 PolarHBondContact N-OH 3.34Å; H320-Y386 PolarHBondContact O-OH 3.48Å; D355-Y386 PolarHBondContact O-OH 3.37Å; C357-Y386 HydrophobicContact CB-CD1 3.87Å; C357-Y386 HydrophobicContact CB-CD2 4.05Å; C357-Y386 HydrophobicContact CB-CE1 4.47Å; C357-Y386 HydrophobicContact CB-CG 3.63Å; C357-Y386 WeakPolarHBondContact SG-CD1 3.48Å; P383-Y386 HydrophobicContact CG-CD2 3.95Å; P383-Y386 HydrophobicContact CG-CE2 4.42Å; P383-Y386 PolarHBondContact O-N 3.46Å
387A88.3Confident90.9Very high9 Ų951.4 Ų51.47%0.07426%0.255CS..  trans-138.7158.3-173.600000112.4P383 Q391 L392P383-A387 PolarHBondContact O-N 2.98Å; P383-A387 VanDerWaalsContact O-N 3.09Å; A387-Q391 HydrophobicContact CB-CB 3.81Å; A387-L392 HydrophobicContact CB-CB 4.32Å
388R84.5Confident91.2Very high208 Ų20851.4 Ų51.479%0.78526%0.255SS*.  trans-141.3162.2176.5-62.6-178.9-176.8147.33109.2Q391R388-Q391 PolarHBondContact O-OE1 3.46Å
389G89.2Confident91.2Very high54 Ų5453.2 Ų53.256%0.55726%0.263SS*.THydrogen-bonded Turntrans62.4-139.8179.600000113Q391 L392 Q393G389-Q391 PolarHBondContact O-N 3.29Å; G389-L392 PolarHBondContact O-N 2.96Å; G389-L392 VanDerWaalsContact O-N 3.11Å; G389-Q393 PolarHBondContact O-N 2.91Å
390L87.7Confident91Very high96 Ų9658.5 Ų58.550%0.50329%0.291SS..Hα-helixtrans-56.8-35.3-176.6-67.3172.1000113.2Q393 H394L390-Q393 PolarHBondContact O-N 3.2Å; L390-H394 WeakPolarHBondContact O-CB 3.35Å; L390-H394 PolarHBondContact O-N 2.99Å
391Q90.3Very high90.4Very high48 Ų4861.4 Ų61.422%0.22430%0.301CS..Hα-helixtrans-65.9-38.3179.1-7083.4-6.300112.6L379 V380 L381 A387 R388 G389L379-Q391 HydrophobicContact CD1-CG 3.52Å; V380-Q391 WeakPolarHBondContact O-CB 3.41Å; V380-Q391 WeakPolarHBondContact O-CG 3.3Å; L381-Q391 HydrophobicContact CD2-CB 3.84Å; L381-Q391 HydrophobicContact CD2-CG 3.8Å; A387-Q391 HydrophobicContact CB-CB 3.81Å; R388-Q391 PolarHBondContact O-OE1 3.46Å; G389-Q391 PolarHBondContact O-N 3.29Å
392L91.8Very high89.3Confident36 Ų3663.5 Ų63.519%0.18832%0.318CS..Hα-helixtrans-72.4-43.9172.6175.658.3000110.9F384 A387 G389 H394 W395 M396F384-L392 HydrophobicContact CB-CD1 4.26Å; F384-L392 HydrophobicContact CB-CD2 4.16Å; A387-L392 HydrophobicContact CB-CB 4.32Å; G389-L392 PolarHBondContact O-N 2.96Å; G389-L392 VanDerWaalsContact O-N 3.11Å; L392-H394 VanDerWaalsContact C-N 3.29Å; L392-H394 PolarHBondContact O-N 3.5Å; L392-W395 WeakPolarHBondContact O-CB 3.32Å; L392-W395 PolarHBondContact O-N 3.02Å; L392-W395 VanDerWaalsContact O-N 3.13Å; L392-M396 HydrophobicContact CD1-CG 4.1Å; L392-M396 HydrophobicContact CD1-SD 4.19Å; L392-M396 HydrophobicContact CG-CG 4.42Å; L392-M396 HydrophobicContact CG-SD 4.15Å; L392-M396 WeakPolarHBondContact O-CG 3.39Å; L392-M396 PolarHBondContact O-N 2.94Å
393Q91.4Very high88.4Confident95 Ų9568.7 Ų68.744%0.44434%0.343SS..Hα-helixtrans-58.2-42.2178.3-168.5-170.4-30.700111.3G389 L390 W395 M396 D397 M408G389-Q393 PolarHBondContact O-N 2.91Å; L390-Q393 PolarHBondContact O-N 3.2Å; Q393-W395 VanDerWaalsContact C-N 3.3Å; Q393-W395 PolarHBondContact O-N 3.5Å; Q393-M396 PolarHBondContact O-N 3.43Å; Q393-D397 PolarHBondContact NE2-OD2 2.98Å; Q393-D397 WeakPolarHBondContact O-CB 3.43Å; Q393-D397 PolarHBondContact O-N 3.44Å; Q393-M408 HydrophobicContact CG-CE 4.22Å
394H93.5Very high88.1Confident0 Ų074 Ų740%037%0.367CS..Hα-helixtrans-63.6-35.2178.3-162.3-165.9000112.9I282 S283 L284 L390 L392 M398 V406 R407 M408 H410I282-H394 WeakPolarHBondContact CB-CE1 3.4Å; I282-H394 WeakPolarHBondContact CG2-CE1 3.48Å; I282-H394 PolarHBondContact O-CE1 3.3Å; S283-H394 PolarHBondContact N-CE1 3.43Å; L284-H394 HydrophobicContact CD1-CB 4.48Å; L284-H394 PolarHBondContact N-NE2 3.03Å; L284-H394 VanDerWaalsContact N-NE2 3.11Å; L390-H394 WeakPolarHBondContact O-CB 3.35Å; L390-H394 PolarHBondContact O-N 2.99Å; L392-H394 VanDerWaalsContact C-N 3.29Å; L392-H394 PolarHBondContact O-N 3.5Å; H394-M398 VanDerWaalsContact O-CB 3.26Å; H394-M398 WeakPolarHBondContact O-CB 3.49Å; H394-M398 PolarHBondContact O-N 3.33Å; H394-M398 VanDerWaalsContact O-N 3.12Å; H394-V406 WeakPolarHBondContact NE2-CB 3.31Å; H394-V406 PolarHBondContact NE2-O 3.44Å; H394-R407 PolarHBondContact NE2-N 2.94Å; H394-M408 HydrophobicContact CB-CE 4.18Å; H394-M408 HydrophobicContact CB-CG 4.37Å; H394-M408 HydrophobicContact CB-SD 3.49Å; H394-M408 WeakPolarHBondContact CB-SD 3.41Å; H394-H410 AromaticContact CG-NE2 3.59Å; H394-H410 AromaticContact ND1-CD2 3.89Å; H394-H410 AromaticContact ND1-CE1 3.77Å; H394-H410 AromaticContact ND1-NE2 2.9Å; H394-H410 PolarHBondContact ND1-NE2 3.06Å
395W94.7Very high88.2Confident2 Ų270.8 Ų70.81%0.00836%0.36CS..Hα-helixtrans-70-43.8174.7-168.4-101.3000111.9L284 L293 L348 L353 A356 L358 G382 L392 Q393 M398 I399L284-W395 HydrophobicContact CD1-CE3 4.39Å; L293-W395 HydrophobicContact CD1-CZ3 4.48Å; L293-W395 HydrophobicContact CD2-CH2 3.79Å; L293-W395 HydrophobicContact CD2-CZ3 3.98Å; L348-W395 HydrophobicContact CD2-CH2 4.21Å; L348-W395 HydrophobicContact CD2-CZ2 4.43Å; L353-W395 HydrophobicContact CD2-CZ2 4.33Å; L353-W395 WeakPolarHBondContact O-CZ2 3.29Å; L353-W395 PolarHBondContact O-NE1 3.46Å; A356-W395 HydrophobicContact CB-CZ2 4.46Å; A356-W395 WeakPolarHBondContact O-CZ2 3.37Å; L358-W395 HydrophobicContact CD1-CZ3 4.25Å; L358-W395 HydrophobicContact CG-CZ3 4.16Å; G382-W395 VanDerWaalsContact C-CD1 3.47Å; G382-W395 VanDerWaalsContact O-CB 3.3Å; G382-W395 WeakPolarHBondContact O-CB 3.39Å; L392-W395 WeakPolarHBondContact O-CB 3.32Å; L392-W395 PolarHBondContact O-N 3.02Å; L392-W395 VanDerWaalsContact O-N 3.13Å; Q393-W395 VanDerWaalsContact C-N 3.3Å; Q393-W395 PolarHBondContact O-N 3.5Å; W395-M398 HydrophobicContact CD2-CE 3.67Å; W395-M398 HydrophobicContact CE3-CE 3.61Å; W395-M398 HydrophobicContact CE3-SD 4.41Å; W395-M398 HydrophobicContact CG-CE 4.28Å; W395-M398 HydrophobicContact CH2-CE 4.21Å; W395-M398 HydrophobicContact CZ2-CE 4.24Å; W395-M398 HydrophobicContact CZ3-CE 3.89Å; W395-M398 WeakPolarHBondContact O-CB 3.28Å; W395-M398 PolarHBondContact O-N 3.03Å; W395-I399 HydrophobicContact CG-CD1 4.49Å; W395-I399 WeakPolarHBondContact O-CG1 3.46Å; W395-I399 PolarHBondContact O-N 2.95Å; W395-I399 VanDerWaalsContact O-N 3.13Å
396M93Very high88.5Confident100 Ų10066.5 Ų66.549%0.49334%0.34SS..Hα-helixtrans-66.6-45.5177.4-66.9-17274.700112L392 Q393 M398 I399 N400L392-M396 HydrophobicContact CD1-CG 4.1Å; L392-M396 HydrophobicContact CD1-SD 4.19Å; L392-M396 HydrophobicContact CG-CG 4.42Å; L392-M396 HydrophobicContact CG-SD 4.15Å; L392-M396 WeakPolarHBondContact O-CG 3.39Å; L392-M396 PolarHBondContact O-N 2.94Å; Q393-M396 PolarHBondContact O-N 3.43Å; M396-M398 VanDerWaalsContact C-N 3.29Å; M396-M398 PolarHBondContact O-N 3.38Å; M396-I399 PolarHBondContact O-N 3.4Å; M396-I399 VanDerWaalsContact O-N 3.13Å; M396-N400 WeakPolarHBondContact O-CB 3.37Å; M396-N400 PolarHBondContact O-N 3.33Å; M396-N400 PolarHBondContact O-ND2 2.98Å
397D92Very high88.7Confident36 Ų3671.1 Ų71.119%0.19336%0.357CS..Hα-helixtrans-61.8-36.7176.8-79.4-24.6000111.7Q393 K401 V406 M408Q393-D397 PolarHBondContact NE2-OD2 2.98Å; Q393-D397 WeakPolarHBondContact O-CB 3.43Å; Q393-D397 PolarHBondContact O-N 3.44Å; D397-K401 VanDerWaalsContact O-CB 3.3Å; D397-K401 WeakPolarHBondContact O-CB 3.42Å; D397-K401 PolarHBondContact O-N 3.07Å; D397-V406 HydrophobicContact CB-CG1 4.03Å; D397-V406 HydrophobicContact CB-CG2 4.32Å; D397-M408 HydrophobicContact CB-CE 4.15Å; D397-M408 WeakPolarHBondContact OD2-CE 3.37Å
398M94.2Very high88.8Confident0 Ų072 Ų720%036%0.36CS..Hα-helixtrans-63.3-39173.3173.7-160.869.800112.9L284 L293 H394 W395 M396L284-M398 HydrophobicContact CB-CB 3.99Å; L284-M398 HydrophobicContact CB-CG 3.87Å; L284-M398 HydrophobicContact CB-SD 3.75Å; L284-M398 HydrophobicContact CD1-CB 4.48Å; L284-M398 HydrophobicContact CD1-SD 3.95Å; L284-M398 HydrophobicContact CD2-SD 4.23Å; L284-M398 HydrophobicContact CG-SD 4.21Å; L293-M398 HydrophobicContact CD1-CE 4.01Å; L293-M398 HydrophobicContact CD1-SD 3.27Å; L293-M398 WeakPolarHBondContact CD1-SD 3.38Å; H394-M398 VanDerWaalsContact O-CB 3.26Å; H394-M398 WeakPolarHBondContact O-CB 3.49Å; H394-M398 PolarHBondContact O-N 3.33Å; H394-M398 VanDerWaalsContact O-N 3.12Å; W395-M398 HydrophobicContact CD2-CE 3.67Å; W395-M398 HydrophobicContact CE3-CE 3.61Å; W395-M398 HydrophobicContact CE3-SD 4.41Å; W395-M398 HydrophobicContact CG-CE 4.28Å; W395-M398 HydrophobicContact CH2-CE 4.21Å; W395-M398 HydrophobicContact CZ2-CE 4.24Å; W395-M398 HydrophobicContact CZ3-CE 3.89Å; W395-M398 WeakPolarHBondContact O-CB 3.28Å; W395-M398 PolarHBondContact O-N 3.03Å; M396-M398 VanDerWaalsContact C-N 3.29Å; M396-M398 PolarHBondContact O-N 3.38Å
399I90.6Very high89.1Confident56 Ų5665.6 Ų65.629%0.28734%0.336SS..Hα-helixtrans-73.6-44.6178.5-70.1170.8000110.3L353 W395 M396L353-I399 HydrophobicContact CB-CD1 4.41Å; L353-I399 HydrophobicContact CD2-CD1 4.35Å; L353-I399 HydrophobicContact CD2-CG1 4.45Å; W395-I399 HydrophobicContact CG-CD1 4.49Å; W395-I399 WeakPolarHBondContact O-CG1 3.46Å; W395-I399 PolarHBondContact O-N 2.95Å; W395-I399 VanDerWaalsContact O-N 3.13Å; M396-I399 PolarHBondContact O-N 3.4Å; M396-I399 VanDerWaalsContact O-N 3.13Å
400N88.3Confident89.2Confident118 Ų11863 Ų6363%0.63131%0.309SS*.Hα-helixtrans-67.4-35.8-178.9-67.3-23.9000112.5M396M396-N400 WeakPolarHBondContact O-CB 3.37Å; M396-N400 PolarHBondContact O-N 3.33Å; M396-N400 PolarHBondContact O-ND2 2.98Å
401K82.6Confident89.2Confident104 Ų10463 Ų6345%0.45230%0.302SS..THydrogen-bonded Turntrans-103.757.1178.6-57.1-178.5-177.9177.40111D397 E404 V406D397-K401 VanDerWaalsContact O-CB 3.3Å; D397-K401 WeakPolarHBondContact O-CB 3.42Å; D397-K401 PolarHBondContact O-N 3.07Å; K401-E404 HydrophobicContact CB-CB 4.25Å; K401-E404 PolarHBondContact O-N 3.46Å; K401-V406 HydrophobicContact CB-CG2 4.21Å; K401-V406 HydrophobicContact CD-CG2 4.22Å
402A71.1Confident89.2Confident45 Ų4560.8 Ų60.837%0.37229%0.292SS..THydrogen-bonded Turntrans-52.4142.4-179.200000112.2E404A402-E404 PolarHBondContact O-N 3.38Å; A402-E404 VanDerWaalsContact O-N 3.17Å
403Q75.7Confident88.7Confident110 Ų11060.6 Ų60.651%0.51430%0.299SS..THydrogen-bonded Turntrans67.5-22.6-169-41.1-63.5-14.900116.6Y286 S287 S289Y286-Q403 PolarHBondContact O-N 3.33Å; S287-Q403 VanDerWaalsContact OG-CD 3.3Å; S287-Q403 PolarHBondContact OG-NE2 3.04Å; S287-Q403 VanDerWaalsContact OG-NE2 3.12Å; S287-Q403 PolarHBondContact OG-OE1 3Å; S289-Q403 PolarHBondContact OG-NE2 3.37Å
404E86.9Confident88.1Confident118 Ų11864.3 Ų64.355%0.55131%0.309SS*.SBendtrans-82.8139.3-179.9-66.3-16315300113.2S285 K401 A402 V406S285-E404 WeakPolarHBondContact CB-O 3.36Å; K401-E404 HydrophobicContact CB-CB 4.25Å; K401-E404 PolarHBondContact O-N 3.46Å; A402-E404 PolarHBondContact O-N 3.38Å; A402-E404 VanDerWaalsContact O-N 3.17Å; E404-V406 PolarHBondContact O-N 2.94Å; E404-V406 VanDerWaalsContact O-N 3.16Å
405P90.2Very high86.8Confident73 Ų7367.1 Ų67.147%0.47433%0.332SS..  trans-83.685.5176.833.5-34.3000112.1L284L284-P405 CarbonylContact O-C 3.55Å; L284-P405 WeakPolarHBondContact O-CA 3.07Å
406V93.3Very high84.6Confident19 Ų1978.3 Ų78.312%0.11539%0.39CS..EExtended strand (participates in β ladder)trans-60.8135.6171.3-174.80000109.8S283 L284 H394 D397 K401 E404 M408S283-V406 CarbonylContact C-O 3.49Å; S283-V406 WeakPolarHBondContact CA-O 3.47Å; S283-V406 PolarHBondContact OG-O 3.21Å; L284-V406 PolarHBondContact N-O 3.02Å; L284-V406 PolarHBondContact O-N 2.9Å; H394-V406 WeakPolarHBondContact NE2-CB 3.31Å; H394-V406 PolarHBondContact NE2-O 3.44Å; D397-V406 HydrophobicContact CB-CG1 4.03Å; D397-V406 HydrophobicContact CB-CG2 4.32Å; K401-V406 HydrophobicContact CB-CG2 4.21Å; K401-V406 HydrophobicContact CD-CG2 4.22Å; E404-V406 PolarHBondContact O-N 2.94Å; E404-V406 VanDerWaalsContact O-N 3.16Å; V406-M408 HydrophobicContact CG1-CE 4.05Å
407R93.8Very high84.1Confident167 Ų16777.2 Ų77.263%0.6338%0.384SS*.EExtended strand (participates in β ladder)trans-122.2132.7-179.3-55.1-179-170.41784.6110.1I282 L298 H394I282-R407 WeakPolarHBondContact O-CA 3.44Å; L298-R407 HydrophobicContact CD1-CG 4.38Å; H394-R407 PolarHBondContact NE2-N 2.94Å
408M91.1Very high83.7Confident28 Ų2879.4 Ų79.414%0.13839%0.394CS..EExtended strand (participates in β ladder)trans-143.8152.8176.1-67.1-168.1-17100111.7Q281 I282 Q393 H394 D397 V406Q281-M408 WeakPolarHBondContact CA-O 3.27Å; I282-M408 PolarHBondContact N-O 3.37Å; I282-M408 PolarHBondContact O-N 3.04Å; Q393-M408 HydrophobicContact CG-CE 4.22Å; H394-M408 HydrophobicContact CB-CE 4.18Å; H394-M408 HydrophobicContact CB-CG 4.37Å; H394-M408 HydrophobicContact CB-SD 3.49Å; H394-M408 WeakPolarHBondContact CB-SD 3.41Å; D397-M408 HydrophobicContact CB-CE 4.15Å; D397-M408 WeakPolarHBondContact OD2-CE 3.37Å; V406-M408 HydrophobicContact CG1-CE 4.05Å
409W90.9Very high83.2Confident72 Ų7283.8 Ų83.827%0.27342%0.416SS..EExtended strand (participates in β ladder)trans-86.9138165.1-73.8104.3000110D279 Q281 R301D279-W409 HydrophobicContact CB-CE3 3.96Å; D279-W409 HydrophobicContact CB-CZ3 4.45Å; Q281-W409 HydrophobicContact CB-CD2 3.81Å; Q281-W409 HydrophobicContact CB-CE3 3.68Å; Q281-W409 HydrophobicContact CB-CH2 3.81Å; Q281-W409 HydrophobicContact CB-CZ2 3.95Å; Q281-W409 HydrophobicContact CB-CZ3 3.67Å; Q281-W409 HydrophobicContact CG-CD2 4.08Å; Q281-W409 HydrophobicContact CG-CE3 4.45Å; Q281-W409 HydrophobicContact CG-CG 4.45Å; Q281-W409 HydrophobicContact CG-CZ2 4.31Å; R301-W409 HydrophobicContact CB-CH2 4.13Å; R301-W409 HydrophobicContact CB-CZ3 4.1Å; R301-W409 HydrophobicContact CG-CE3 4.17Å; R301-W409 HydrophobicContact CG-CH2 3.89Å; R301-W409 HydrophobicContact CG-CZ3 3.54Å
410H90.6Very high82.7Confident1 Ų185.4 Ų85.41%0.00542%0.424CS..EExtended strand (participates in β ladder)trans-130136.3178.3-69.3-79.6000110.7D279 V280 L379 H394D279-H410 CarbonylContact C-O 3.53Å; D279-H410 WeakPolarHBondContact CA-O 3.44Å; V280-H410 HydrophobicContact CG1-CB 4.24Å; V280-H410 PolarHBondContact N-O 3.35Å; V280-H410 PolarHBondContact O-N 2.87Å; L379-H410 HydrophobicContact CD1-CB 3.89Å; L379-H410 HydrophobicContact CD2-CB 3.43Å; L379-H410 VanDerWaalsContact CD2-CB 3.43Å; L379-H410 HydrophobicContact CG-CB 4.32Å; H394-H410 AromaticContact CG-NE2 3.59Å; H394-H410 AromaticContact ND1-CD2 3.89Å; H394-H410 AromaticContact ND1-CE1 3.77Å; H394-H410 AromaticContact ND1-NE2 2.9Å; H394-H410 PolarHBondContact ND1-NE2 3.06Å
411R88.3Confident82.4Confident94 Ų9483.4 Ų83.436%0.35541%0.411SS..EExtended strand (participates in β ladder)trans-71.8136.3173-75.1-173.5165.6135.6-0.3110.9E271 Q273 D279E271-R411 IonicContact OE2-CZ 3.61Å; E271-R411 IonicContact OE2-NH1 3.34Å; E271-R411 PolarHBondContact OE2-NH1 2.83Å; E271-R411 IonicContact OE2-NH2 2.76Å; E271-R411 PolarHBondContact OE2-NH2 2.96Å; Q273-R411 PolarHBondContact O-NH2 3.49Å; D279-R411 WeakPolarHBondContact OD1-CG 3.39Å
412L88.8Confident82.4Confident2 Ų282 Ų821%0.0141%0.408CS..PPolyproline II helixtrans-77.2132.4168.7-63.7174.8000109.6S275 L277 G278 V280 L303 F360 L362S275-L412 PolarHBondContact OG-O 3.32Å; L277-L412 HydrophobicContact CB-CB 3.91Å; G278-L412 WeakPolarHBondContact O-CB 3.4Å; G278-L412 PolarHBondContact O-N 2.99Å; G278-L412 VanDerWaalsContact O-N 3.12Å; V280-L412 HydrophobicContact CB-CD2 4.35Å; V280-L412 HydrophobicContact CG1-CD2 3.84Å; V280-L412 HydrophobicContact CG1-CG 4.48Å; L303-L412 HydrophobicContact CD2-CD1 3.64Å; F360-L412 HydrophobicContact CD1-CD2 4.17Å; F360-L412 HydrophobicContact CE1-CD2 3.65Å; L362-L412 HydrophobicContact CD2-CD1 3.74Å
413G82.9Confident83.2Confident33 Ų3384.6 Ų84.634%0.3441%0.411SS..BIsolated β-bridgetrans-101155.3173.700000111.7L277 G377 V378L277-G413 WeakPolarHBondContact CD1-O 3.43Å; G377-G413 CarbonylContact C-O 3.56Å; G377-G413 WeakPolarHBondContact CA-O 3.44Å; V378-G413 PolarHBondContact N-O 3.08Å; V378-G413 PolarHBondContact O-N 3.5Å
414R78.6Confident83.7Confident173 Ų17382.7 Ų82.765%0.65340%0.403SS*.PPolyproline II helixtrans-64147.2172-65.8175.5-177-125.24.4109.3E276 L277E276-R414 IonicContact OE1-NH2 3.79Å; E276-R414 IonicContact OE2-CZ 2.74Å; E276-R414 IonicContact OE2-NE 4Å; E276-R414 PolarHBondContact OE2-NE 3.11Å; E276-R414 IonicContact OE2-NH2 3.1Å; E276-R414 PolarHBondContact OE2-NH2 3.1Å; L277-R414 HydrophobicContact CD1-CB 4.35Å; L277-R414 HydrophobicContact CD1-CG 3.78Å
415A64.8Low83.5Confident58 Ų5879.8 Ų79.848%0.47939%0.391SS..PPolyproline II helixtrans-62.7145.8162.900000109.6V378V378-A415 HydrophobicContact CG2-CB 3.94Å
416I48.5Very low82.9Confident237 Ų23780.4 Ų80.4100%1.21538%0.383SS*.  trans-115.90173-53.2175.6000106.3

Retrieved 416 of 416 residues in 106.7 ms (Link to these results)