A0A077Z1M0_TRITR Loading...

TEP1-F

Binds covalently through a thioester bond to the pathogen surface resulting in pathogen clearance.

AlphaFold DB , UniProt , Accession A0A077Z1M0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low36.8Very low215 Ų215117.5 Ų117.5100%1.05963%0.633SS**  0-32.20-153.9-179.1-72.500112.3
2I38.8Very low36.5Very low147 Ų147117.8 Ų117.875%0.75463%0.633SS**Hα-helixtrans-68.4-37.2-178.5-62.6169.6000112.8S4 F5 A6I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 3.26Å; I2-F5 PolarHBondContact O-N 2.97Å; I2-A6 PolarHBondContact O-N 3.49Å
3D34.6Very low36.1Very low144 Ų144116.4 Ų116.477%0.7763%0.625SS**Hα-helixtrans-72.8-24.1-178.4-59.7-34.5000114.3F5D3-F5 VanDerWaalsContact C-N 3.3Å
4S36.7Very low36Very low79 Ų79118.7 Ų118.755%0.55263%0.627SS**Hα-helixtrans-73.6-24.4173.8176.90000112.3I2I2-S4 VanDerWaalsContact C-N 3.34Å; I2-S4 PolarHBondContact O-N 3.26Å
5F36.5Very low35.7Very low145 Ų145117.8 Ų117.864%0.63662%0.622SS**Hα-helixtrans-83.7-38-175.3-152.2-102.3000112.3I2 D3 S7 K8 I9I2-F5 PolarHBondContact O-N 2.97Å; D3-F5 VanDerWaalsContact C-N 3.3Å; F5-S7 VanDerWaalsContact C-N 3.33Å; F5-S7 PolarHBondContact O-N 3.01Å; F5-K8 PolarHBondContact O-N 3.02Å; F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.79Å; F5-I9 PolarHBondContact O-N 2.79Å
6A36.8Very low35.5Very low66 Ų66117.3 Ų117.355%0.54562%0.619SS.*Hα-helixtrans-63.8-36.7176.500000112.6I2 S10I2-A6 PolarHBondContact O-N 3.49Å; A6-S10 PolarHBondContact O-N 3.19Å
7S37.6Very low35.3Very low65 Ų65113.9 Ų113.946%0.45561%0.612SS.*Hα-helixtrans-65.5-39.1177.8-179.20000112.7F5 S10 Q11F5-S7 VanDerWaalsContact C-N 3.33Å; F5-S7 PolarHBondContact O-N 3.01Å; S7-S10 PolarHBondContact O-N 2.78Å; S7-Q11 PolarHBondContact O-N 3Å
8K35.4Very low35Very low143 Ų143115.7 Ų115.762%0.62261%0.61SS**Hα-helixtrans-70.5-34.3179.4-79.8179.8175.3179.50113.4F5 L12F5-K8 PolarHBondContact O-N 3.02Å; K8-L12 PolarHBondContact O-N 2.78Å; K8-L12 VanDerWaalsContact O-N 3.12Å
9I38.7Very low34.7Very low88 Ų88117.4 Ų117.445%0.45161%0.612SS.*Hα-helixtrans-70.1-38.5177.1-66171.5000111.1F5 L12 N13F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.79Å; F5-I9 PolarHBondContact O-N 2.79Å; I9-L12 PolarHBondContact O-N 2.81Å; I9-N13 PolarHBondContact O-N 2.82Å; I9-N13 VanDerWaalsContact O-N 3.08Å
10S36.4Very low34.3Very low79 Ų79116.4 Ų116.455%0.55261%0.606SS**Hα-helixtrans-60.8-45.3174.6146.50000111.9A6 S7 F14A6-S10 PolarHBondContact O-N 3.19Å; S7-S10 PolarHBondContact O-N 2.78Å; S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 2.96Å
11Q35.6Very low33.9Very low121 Ų121121.2 Ų121.257%0.56562%0.617SS**Hα-helixtrans-67.6-37.9179-71.7-177.4-8.500113S7 F14 L15S7-Q11 PolarHBondContact O-N 3Å; Q11-F14 PolarHBondContact O-N 2.82Å; Q11-L15 WeakPolarHBondContact O-CB 3.18Å; Q11-L15 PolarHBondContact O-N 3.06Å
12L33.5Very low33.3Very low122 Ų122115.5 Ų115.564%0.63959%0.594SS**Hα-helixtrans-68.4-41.7179.3-155.578.8000111.5K8 I9 L15 L16K8-L12 PolarHBondContact O-N 2.78Å; K8-L12 VanDerWaalsContact O-N 3.12Å; I9-L12 PolarHBondContact O-N 2.81Å; L12-L15 PolarHBondContact O-N 2.99Å; L12-L16 WeakPolarHBondContact O-CB 2.81Å; L12-L16 PolarHBondContact O-N 2.94Å
13N31.7Very low32.8Very low99 Ų99113.6 Ų113.653%0.52959%0.589SS.*Hα-helixtrans-67-36.6175.6-77.4-19.2000112.1I9 A17I9-N13 PolarHBondContact O-N 2.82Å; I9-N13 VanDerWaalsContact O-N 3.08Å; N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å
14F34.4Very low32.3Very low149 Ų149113.3 Ų113.365%0.65459%0.587SS**Hα-helixtrans-66.8-42.2175.6-170.1-97000112S10 Q11 Y18S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 2.96Å; Q11-F14 PolarHBondContact O-N 2.82Å; F14-Y18 WeakPolarHBondContact O-CB 3.47Å; F14-Y18 PolarHBondContact O-N 3.45Å
15L31.6Very low31.6Very low105 Ų105120.9 Ų120.955%0.5560%0.604SS.*Hα-helixtrans-67.6-39176.7-87.1159.7000112.7Q11 L12 K19Q11-L15 WeakPolarHBondContact O-CB 3.18Å; Q11-L15 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 2.99Å; L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 PolarHBondContact O-N 2.7Å
16L32.2Very low31.2Very low110 Ų110120 Ų12058%0.57661%0.609SS**Hα-helixtrans-67.5-45.5177.4-146.782.5000110.7L12 Y18 K19 L20L12-L16 WeakPolarHBondContact O-CB 2.81Å; L12-L16 PolarHBondContact O-N 2.94Å; L16-Y18 PolarHBondContact O-N 3.45Å; L16-K19 PolarHBondContact O-N 2.82Å; L16-L20 HydrophobicContact CD2-CD1 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.16Å; L16-L20 PolarHBondContact O-N 2.84Å
17A32Very low30.7Very low60 Ų60126.1 Ų126.150%0.49663%0.627SS.*Hα-helixtrans-64.8-38.7176.400000112.2N13 R21N13-A17 WeakPolarHBondContact O-CB 3.48Å; N13-A17 PolarHBondContact O-N 3.38Å; A17-R21 VanDerWaalsContact O-CB 3.26Å; A17-R21 WeakPolarHBondContact O-CB 3.12Å; A17-R21 PolarHBondContact O-N 2.7Å
18Y29.8Very low30.3Very low146 Ų146125 Ų12557%0.57363%0.625SS**Hα-helixtrans-68.9-38.1178.5-170-96.2000112.7F14 L16 T22F14-Y18 WeakPolarHBondContact O-CB 3.47Å; F14-Y18 PolarHBondContact O-N 3.45Å; L16-Y18 PolarHBondContact O-N 3.45Å; Y18-T22 HydrophobicContact CE1-CG2 4.41Å; Y18-T22 PolarHBondContact O-N 2.65Å; Y18-T22 PolarHBondContact O-OG1 3.48Å
19K28.7Very low30Very low148 Ų148120.5 Ų120.564%0.64362%0.62SS**Hα-helixtrans-73.1-36.4175.1-91-177.8172.9-179.70113.1L15 L16 T22 T23L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 PolarHBondContact O-N 2.7Å; L16-K19 PolarHBondContact O-N 2.82Å; K19-T22 PolarHBondContact O-OG1 3.38Å; K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.8Å
20L28.3Very low29.6Very low96 Ų96120.2 Ų120.250%0.50363%0.631SS.*Hα-helixtrans-67.7-35.6174.3-86.5152.9000111.7L16 T23 L24L16-L20 HydrophobicContact CD2-CD1 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.16Å; L16-L20 PolarHBondContact O-N 2.84Å; L20-T23 PolarHBondContact O-OG1 2.93Å; L20-L24 HydrophobicContact CD2-CD1 4.41Å
21R25.9Very low29.2Very low219 Ų219121.7 Ų121.783%0.82663%0.631SS**Hα-helixtrans-74.5-24.6179.6-157175.6-148.4-1645.5114.2A17A17-R21 VanDerWaalsContact O-CB 3.26Å; A17-R21 WeakPolarHBondContact O-CB 3.12Å; A17-R21 PolarHBondContact O-N 2.7Å
22T25.1Very low29Very low95 Ų95120.1 Ų120.158%0.58363%0.626SS**Hα-helixtrans-88-18.917942.60000113.8Y18 K19Y18-T22 HydrophobicContact CE1-CG2 4.41Å; Y18-T22 PolarHBondContact O-N 2.65Å; Y18-T22 PolarHBondContact O-OG1 3.48Å; K19-T22 PolarHBondContact O-OG1 3.38Å
23T27.5Very low28.9Very low107 Ų107119.9 Ų119.966%0.65662%0.621SS**Hα-helixtrans-94.4-17.8-179.137.80000114.4K19 L20K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.8Å; L20-T23 PolarHBondContact O-OG1 2.93Å
24L23.9Very low28.8Very low137 Ų137121.4 Ų121.472%0.71763%0.629SS**  trans-106.581-177.9-76159.6000111.5L20L20-L24 HydrophobicContact CD2-CD1 4.41Å
25R22.5Very low28.7Very low239 Ų239118.6 Ų118.690%0.90262%0.619SS**  trans-138.168.8159.6-159.6-176.5-166.3-169.23.7109.6
26V28.2Very low28.7Very low125 Ų125119.1 Ų119.176%0.75862%0.619SS**  trans-142.7118.9167.3-174.20000108.9
27E26.2Very low28.7Very low195 Ų195116.1 Ų116.191%0.91161%0.61SS**  trans-70126.4176.1-65175.4160.900110
28G28.8Very low28.8Very low41 Ų41117.3 Ų117.342%0.42361%0.612SS.*  trans146.768.6174.800000114A30G28-A30 PolarHBondContact O-N 3.49Å
29G29.4Very low29Very low49 Ų49115.4 Ų115.451%0.50561%0.606SS.*Hα-helixtrans-73.6-19.1-163.300000118.4H33G29-H33 PolarHBondContact O-CD2 2.99Å
30A29.7Very low29.4Very low83 Ų83112.5 Ų112.569%0.68660%0.597SS**Hα-helixtrans-82.1-42-166.900000114.9G28G28-A30 PolarHBondContact O-N 3.49Å
31I29.1Very low29.8Very low109 Ų109113.1 Ų113.156%0.55960%0.6SS**Hα-helixtrans-82.7-31.4-171.5-62.2173.9000111.8H33 L34 I35I31-H33 VanDerWaalsContact C-N 3.33Å; I31-H33 PolarHBondContact O-N 3.08Å; I31-L34 PolarHBondContact O-N 3.16Å; I31-I35 HydrophobicContact CG2-CD1 4.3Å; I31-I35 PolarHBondContact O-N 3.43Å
32I31.5Very low30.3Very low88 Ų88105.3 Ų105.345%0.45158%0.58SS.*Hα-helixtrans-63.3-41.2179.3-61.4174.8000110.6L34 I35 E36I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.49Å; I32-I35 PolarHBondContact O-N 3.01Å; I32-E36 PolarHBondContact O-N 2.67Å; I32-E36 VanDerWaalsContact O-N 3.08Å
33H29.8Very low30.8Very low117 Ų117107.4 Ų107.454%0.54258%0.578SS.*Hα-helixtrans-65.5-32.5179.4-72-49.3000113.1G29 I31 A37G29-H33 PolarHBondContact O-CD2 2.99Å; I31-H33 VanDerWaalsContact C-N 3.33Å; I31-H33 PolarHBondContact O-N 3.08Å; H33-A37 WeakPolarHBondContact O-CB 3.25Å; H33-A37 PolarHBondContact O-N 2.87Å
34L30.4Very low31Very low131 Ų131105.8 Ų105.869%0.68657%0.565SS**Hα-helixtrans-69.5-39.8177.7-138.489.3000111.6I31 I32 A37 T38I31-L34 PolarHBondContact O-N 3.16Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.49Å; L34-A37 PolarHBondContact O-N 2.96Å; L34-T38 PolarHBondContact O-N 2.89Å; L34-T38 PolarHBondContact O-OG1 3.23Å
35I31.3Very low31.4Very low90 Ų90108.5 Ų108.546%0.46257%0.565SS.*Hα-helixtrans-66-44177.8-64171.8000110.2I31 I32 T38 K39I31-I35 HydrophobicContact CG2-CD1 4.3Å; I31-I35 PolarHBondContact O-N 3.43Å; I32-I35 PolarHBondContact O-N 3.01Å; I35-T38 WeakPolarHBondContact CA-OG1 3.4Å; I35-T38 PolarHBondContact O-N 3.21Å; I35-T38 PolarHBondContact O-OG1 3.12Å; I35-K39 PolarHBondContact O-N 3.23Å; I35-K39 VanDerWaalsContact O-N 3.08Å
36E33.6Very low32Very low117 Ų117104 Ų10455%0.54756%0.558SS.*Hα-helixtrans-62.7-42.5175.1-76.6-172.615800112.1I32 T38 K39 L40I32-E36 PolarHBondContact O-N 2.67Å; I32-E36 VanDerWaalsContact O-N 3.08Å; E36-T38 PolarHBondContact O-N 2.96Å; E36-K39 PolarHBondContact O-N 2.97Å; E36-L40 WeakPolarHBondContact O-CB 3.02Å; E36-L40 PolarHBondContact O-N 2.79Å
37A32.1Very low32.2Very low47 Ų47105.4 Ų105.439%0.38856%0.559SS.*Hα-helixtrans-62.6-41.3177.200000112.4H33 L34 K39 L40 L41H33-A37 WeakPolarHBondContact O-CB 3.25Å; H33-A37 PolarHBondContact O-N 2.87Å; L34-A37 PolarHBondContact O-N 2.96Å; A37-K39 PolarHBondContact O-N 2.94Å; A37-L40 PolarHBondContact O-N 2.89Å; A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 PolarHBondContact O-N 2.83Å
38T34.1Very low32.3Very low85 Ų85102.5 Ų102.552%0.52155%0.549SS..Hα-helixtrans-64.4-37.1174.239.60000113.2L34 I35 E36 S42L34-T38 PolarHBondContact O-N 2.89Å; L34-T38 PolarHBondContact O-OG1 3.23Å; I35-T38 WeakPolarHBondContact CA-OG1 3.4Å; I35-T38 PolarHBondContact O-N 3.21Å; I35-T38 PolarHBondContact O-OG1 3.12Å; E36-T38 PolarHBondContact O-N 2.96Å; T38-S42 PolarHBondContact O-N 3.35Å
39K33.2Very low32.2Very low105 Ų105104.1 Ų104.146%0.45757%0.565SS.*Hα-helixtrans-67.9-40.5173.5-74.8-179.1-179.61770111.5I35 E36 A37 S42 Y43I35-K39 PolarHBondContact O-N 3.23Å; I35-K39 VanDerWaalsContact O-N 3.08Å; E36-K39 PolarHBondContact O-N 2.97Å; A37-K39 PolarHBondContact O-N 2.94Å; K39-S42 WeakPolarHBondContact CA-OG 3.4Å; K39-S42 PolarHBondContact O-N 3.21Å; K39-S42 PolarHBondContact O-OG 3.46Å; K39-Y43 PolarHBondContact O-N 2.69Å
40L38Very low31.9Very low88 Ų88105.9 Ų105.946%0.46158%0.575SS.*Hα-helixtrans-65.4-40.1176.9-135.5104.4000111.9E36 A37 S42 Y43 L44 L139E36-L40 WeakPolarHBondContact O-CB 3.02Å; E36-L40 PolarHBondContact O-N 2.79Å; A37-L40 PolarHBondContact O-N 2.89Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-Y43 WeakPolarHBondContact O-CB 3.3Å; L40-Y43 PolarHBondContact O-N 3.26Å; L40-L44 HydrophobicContact CD2-CD1 4.47Å; L40-L44 PolarHBondContact O-N 2.85Å; L40-L139 HydrophobicContact CD2-CD2 3.65Å
41L35.2Very low31.6Very low108 Ų108107.5 Ų107.557%0.56558%0.581SS**Hα-helixtrans-64.9-35.3172.7-88.6155000112.2A37 Y43 L44 R45A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 PolarHBondContact O-N 2.83Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.33Å; L41-R45 WeakPolarHBondContact O-CG 3.29Å; L41-R45 PolarHBondContact O-N 3.22Å
42S37.4Very low31.3Very low56 Ų56108.7 Ų108.739%0.39259%0.593SS.*Hα-helixtrans-66.5-35.3172.975.90000112.4T38 K39 L40 R45 L46T38-S42 PolarHBondContact O-N 3.35Å; K39-S42 WeakPolarHBondContact CA-OG 3.4Å; K39-S42 PolarHBondContact O-N 3.21Å; K39-S42 PolarHBondContact O-OG 3.46Å; L40-S42 VanDerWaalsContact C-N 3.34Å; S42-R45 WeakPolarHBondContact O-CB 3.34Å; S42-R45 PolarHBondContact O-N 3.38Å; S42-L46 PolarHBondContact O-N 2.8Å; S42-L46 VanDerWaalsContact O-N 3.1Å
43Y35.6Very low30.7Very low138 Ų138115.9 Ų115.954%0.54162%0.615SS.*Hα-helixtrans-70.5-42.3173.8-100.4-89.9000112.4K39 L40 L41 R45 L46 M47K39-Y43 PolarHBondContact O-N 2.69Å; L40-Y43 WeakPolarHBondContact O-CB 3.3Å; L40-Y43 PolarHBondContact O-N 3.26Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 2.84Å; Y43-L46 WeakPolarHBondContact O-CB 3.13Å; Y43-L46 PolarHBondContact O-N 3.23Å; Y43-M47 WeakPolarHBondContact O-CG 3.14Å; Y43-M47 PolarHBondContact O-N 2.84Å
44L32Very low30.3Very low73 Ų73114 Ų11438%0.38263%0.627SS.*Hα-helixtrans-64.9-33.4172.4-88.2152.9000112L40 L41 M47 L48L40-L44 HydrophobicContact CD2-CD1 4.47Å; L40-L44 PolarHBondContact O-N 2.85Å; L41-L44 PolarHBondContact O-N 2.97Å; L44-M47 PolarHBondContact O-N 2.93Å; L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-L48 VanDerWaalsContact O-N 3.1Å
45R30.5Very low29.8Very low195 Ų195114.6 Ų114.674%0.73664%0.635SS**Hα-helixtrans-63.3-39.4172.1-94.8-179.6175.8177.8-0.3112.9L41 S42 Y43 M47L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.33Å; L41-R45 WeakPolarHBondContact O-CG 3.29Å; L41-R45 PolarHBondContact O-N 3.22Å; S42-R45 WeakPolarHBondContact O-CB 3.34Å; S42-R45 PolarHBondContact O-N 3.38Å; Y43-R45 VanDerWaalsContact C-N 3.3Å; Y43-R45 PolarHBondContact O-N 2.84Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 2.85Å
46L36.2Very low29.4Very low143 Ų143115 Ų11575%0.74965%0.653SS**Hα-helixtrans-64.3-33173.8-96.3152.3000112S42 Y43S42-L46 PolarHBondContact O-N 2.8Å; S42-L46 VanDerWaalsContact O-N 3.1Å; Y43-L46 WeakPolarHBondContact O-CB 3.13Å; Y43-L46 PolarHBondContact O-N 3.23Å
47M31.8Very low28.9Very low156 Ų156115.2 Ų115.277%0.76867%0.667SS**Hα-helixtrans-81.1-27.6-178.4-67.2-74.3-93.600114.1Y43 L44 R45Y43-M47 WeakPolarHBondContact O-CG 3.14Å; Y43-M47 PolarHBondContact O-N 2.84Å; L44-M47 PolarHBondContact O-N 2.93Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 2.85Å
48L29.5Very low28.4Very low134 Ų134116.8 Ų116.870%0.70269%0.687SS**Hα-helixtrans-108.77.8-170.5-74.1167.7000115.7L44 A50L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 PolarHBondContact O-N 3.34Å; L44-L48 VanDerWaalsContact O-N 3.1Å; L48-A50 PolarHBondContact O-N 2.84Å
49G26.4Very low27.8Very low75 Ų75116.6 Ų116.677%0.77370%0.703SS**  trans59.818.9160.100000117.6
50A23.7Very low27.1Very low85 Ų85114.9 Ų114.970%0.70272%0.715SS**  trans-96112.9-17800000112L48L48-A50 PolarHBondContact O-N 2.84Å
51S22Very low26.3Very low118 Ų118118.8 Ų118.883%0.82574%0.735SS**  trans-74.5115.5173.8171.20000111.3
52V22.3Very low25.6Very low133 Ų133120.9 Ų120.981%0.80675%0.746SS**  trans-140.8127.5159.1-175.40000109.8
53R19.8Very low24.7Very low240 Ų240122.2 Ų122.291%0.90676%0.761SS**  trans-60.4140.7179.3-83.9178.2174.4-172.2-2.1112.1
54G21.1Very low23.9Very low77 Ų77123 Ų12379%0.79477%0.773SS**  trans-71.5153.2-174.600000115.2
55V20.1Very low23.5Very low143 Ų143129 Ų12987%0.86779%0.792SS**  trans-121.2116.4159.3176.60000106.1
56A21.8Very low23Very low100 Ų100125.5 Ų125.583%0.82679%0.794SS**  trans-83117.6170.900000108.3
57S23.7Very low22.3Very low120 Ų120125.6 Ų125.684%0.83980%0.796SS**  trans-103.677.2163.358.70000108.8
58G21.3Very low21.8Very low80 Ų80127.4 Ų127.483%0.82579%0.794SS**  trans-82.3121.915600000108
59G21.4Very low21.7Very low82 Ų82130.9 Ų130.985%0.84580%0.799SS**  trans-137.782.9176.600000109.7
60G20.4Very low21.5Very low69 Ų69135.1 Ų135.171%0.71180%0.804SS**  trans-114.2130.4158.800000108.4
61L20.3Very low21.5Very low170 Ų170136.7 Ų136.789%0.8981%0.808SS**  trans-169.2110.9161.1-132.279.8000108.6
62L19.6Very low21.6Very low151 Ų151137.5 Ų137.579%0.79181%0.811SS**  69.2105.7102.4-156.383.8000115I64L62-I64 HydrophobicContact CD2-CD1 4.5Å
63A20.2Very low21.7Very low84 Ų84135.1 Ų135.169%0.69480%0.799SS**  trans-116.5132.3169.100000110.4
64I18.5Very low21.8Very low155 Ų155133.1 Ų133.180%0.79580%0.8SS**  trans-108.1133.1-179.4-64.9172.7000108.8L62L62-I64 HydrophobicContact CD2-CD1 4.5Å
65Y22.2Very low22.1Very low199 Ų199135.5 Ų135.578%0.7879%0.789SS**  trans-89.6152.5-179.4-57.5-94.1000111
66P20.6Very low22.4Very low121 Ų121131.5 Ų131.579%0.78677%0.768SS**  -159.916696.937.4-16.2000118.8
67N22.1Very low22.8Very low146 Ų146131 Ų13178%0.78175%0.754SS**  trans80.8108.1145.1-96-11.5000124.8
68R21.7Very low22.9Very low193 Ų193126.7 Ų126.773%0.72872%0.721SS**  59.5117.4113.8-149.3-178.9-130.7-157.23.7120.1
69Y26.8Very low23.3Very low207 Ų207128.6 Ų128.681%0.81271%0.713SS**  179.8129.5107.6-94.5-75.9000110.2
70D21.8Very low23.5Very low165 Ų165127 Ų12788%0.88270%0.696SS**  trans-78.4135.4178.6-82.7-49.5000112.6
71C24.2Very low23.6Very low117 Ų117135.4 Ų135.479%0.79171%0.706SS**  trans-144.3140.7149.2-88.50000109.7C73C71-C73 PolarHBondContact O-N 2.97Å
72P23Very low23.7Very low135 Ų135134 Ų13488%0.87770%0.704SS**  trans-90103.7-170.634.3-29.5000111.1
73C24.4Very low23.9Very low84 Ų84134.5 Ų134.557%0.56871%0.706SS**  trans-110.2119.7162.4-62.50000107.8C71 F75C71-C73 PolarHBondContact O-N 2.97Å; C73-F75 HydrophobicContact CB-CD2 3.99Å; C73-F75 HydrophobicContact CB-CE1 4.43Å; C73-F75 HydrophobicContact CB-CE2 3.4Å; C73-F75 HydrophobicContact CB-CZ 3.66Å; C73-F75 VanDerWaalsContact O-CD2 3.3Å; C73-F75 WeakPolarHBondContact O-CD2 3.34Å; C73-F75 PolarHBondContact O-N 2.97Å; C73-F75 VanDerWaalsContact O-N 3.08Å
74Q23.8Very low24.1Very low198 Ų198135.6 Ų135.693%0.92571%0.709SS**  trans-73.199.8173.1-76.7-174.9-20.900109.1
75F26.5Very low24.3Very low126 Ų126136 Ų13655%0.55371%0.713SS**  trans-91.9134.2171.3-64.8-74000110.1C73 V160C73-F75 HydrophobicContact CB-CD2 3.99Å; C73-F75 HydrophobicContact CB-CE1 4.43Å; C73-F75 HydrophobicContact CB-CE2 3.4Å; C73-F75 HydrophobicContact CB-CZ 3.66Å; C73-F75 VanDerWaalsContact O-CD2 3.3Å; C73-F75 WeakPolarHBondContact O-CD2 3.34Å; C73-F75 PolarHBondContact O-N 2.97Å; C73-F75 VanDerWaalsContact O-N 3.08Å; F75-V160 HydrophobicContact CB-CG1 3.99Å; F75-V160 HydrophobicContact CD1-CG1 3.13Å; F75-V160 HydrophobicContact CE1-CG1 3.68Å; F75-V160 HydrophobicContact CG-CG1 3.71Å
76S26.3Very low24.2Very low60 Ų60137.6 Ų137.642%0.4272%0.717SS.*EExtended strand (participates in β ladder)trans-90.6112.5165.9-60.70000108.3
77V29.9Very low24.4Very low90 Ų90135.9 Ų135.955%0.54571%0.713SS.*EExtended strand (participates in β ladder)trans-78.9120173.7179.40000108D79V77-D79 PolarHBondContact O-N 2.95Å
78L27.1Very low24.4Very low28 Ų28133.9 Ų133.915%0.14771%0.711CS.*SBendtrans-85.8108.3172-77.6151.7000108.5S247 A248L78-S247 WeakPolarHBondContact CD2-O 3.31Å; L78-A248 HydrophobicContact CD1-CB 3.51Å; L78-A248 HydrophobicContact CD2-CB 3.37Å; L78-A248 HydrophobicContact CG-CB 3.85Å
79D28.6Very low24.6Very low121 Ų121133 Ų13365%0.64771%0.714SS**SBendtrans68.887174.8-132.1-4.8000115.7V77 Q246V77-D79 PolarHBondContact O-N 2.95Å; D79-Q246 PolarHBondContact OD2-NE2 2.76Å
80G26Very low24.5Very low48 Ų48134 Ų13450%0.49572%0.716SS.*SBendtrans-179.8105.816900000107V82G80-V82 PolarHBondContact O-N 2.81Å
81R22.3Very low24.6Very low246 Ų246133.4 Ų133.493%0.92871%0.709SS**  trans-33.2126.7-170.9-72.2178.1177.1179.1-0.9114.2I83R81-I83 PolarHBondContact O-N 3.14Å
82V22Very low24.5Very low140 Ų140135 Ų13585%0.84872%0.715SS**  trans-59.7124.9172.7177.90000110.2G80G80-V82 PolarHBondContact O-N 2.81Å
83I24.9Very low24.4Very low162 Ų162138.6 Ų138.683%0.83171%0.711SS**  trans-103115.5161-52.8177.7000106.5R81R81-I83 PolarHBondContact O-N 3.14Å
84S22.5Very low24.2Very low107 Ų107141.9 Ų141.975%0.74872%0.722SS**  trans-69.1129.3175.854.10000110.1
85N22.9Very low24.1Very low163 Ų163139.3 Ų139.387%0.87271%0.714SS**  trans-95106.3175.4-168.3-3.4000108.3
86R21.6Very low23.8Very low233 Ų233139.2 Ų139.288%0.87972%0.719SS**  trans-125.7114.8161.4-177.7177.3-104.2-158-2.2109
87A23.5Very low23.5Very low84 Ų84142.1 Ų142.169%0.69473%0.734SS**  trans64.9114.7152.900000118.2
88S23.8Very low23.3Very low105 Ų105145.5 Ų145.573%0.73474%0.741SS**  137.2117.3111.3-173.90000110.5
89H25.5Very low23.1Very low174 Ų174148.4 Ų148.481%0.80677%0.769SS**SBendtrans3.8121.1157.6-77-83.7000117.6
90R24.9Very low22.9Very low227 Ų227148.6 Ų148.686%0.85777%0.77SS**SBendtrans82121.7163-55.3177.9178.8-174.3-0.4113.8
91E23.2Very low22.8Very low154 Ų154155.1 Ų155.172%0.7279%0.788SS**  trans81.687.9168.3-55174.6-173.200116.1W93E91-W93 PolarHBondContact O-N 2.99Å
92T22.6Very low22.9Very low150 Ų150148.4 Ų148.492%0.9278%0.779SS**  trans-78.2108.3166.4-29.40000109.3
93W20Very low22.9Very low211 Ų211147.4 Ų147.480%0.79978%0.775SS**  trans-79.1114.9171.5-62.885.4000109.7E91 L95E91-W93 PolarHBondContact O-N 2.99Å; W93-L95 PolarHBondContact O-N 2.9Å
94L21.2Very low22.8Very low152 Ų152144.5 Ų144.580%0.79677%0.769SS**  trans-85.392.5164.8-157.487.5000108.2L96L94-L96 PolarHBondContact O-N 2.85Å
95L20.6Very low22.7Very low145 Ų145145.7 Ų145.776%0.75977%0.771SS**  trans-77.7102172.6-158.589.1000108.7W93 V97W93-L95 PolarHBondContact O-N 2.9Å; L95-V97 HydrophobicContact CD2-CG2 3.93Å; L95-V97 PolarHBondContact O-N 2.74Å; L95-V97 VanDerWaalsContact O-N 3.11Å
96L20.1Very low22.8Very low123 Ų123144.4 Ų144.464%0.64476%0.764SS**  trans-71.699.3166.9-73.6168.8000108.5L94 F98L94-L96 PolarHBondContact O-N 2.85Å; L96-F98 HydrophobicContact CB-CD2 4.25Å; L96-F98 HydrophobicContact CB-CE2 3.85Å; L96-F98 HydrophobicContact CD1-CE2 4.28Å; L96-F98 HydrophobicContact CD1-CZ 4.45Å; L96-F98 PolarHBondContact O-N 2.97Å; L96-F98 VanDerWaalsContact O-N 3.08Å
97V21.2Very low22.9Very low122 Ų122138.5 Ų138.574%0.73976%0.759SS**  trans-75.694168.9-178.70000107.7L95 A99L95-V97 HydrophobicContact CD2-CG2 3.93Å; L95-V97 PolarHBondContact O-N 2.74Å; L95-V97 VanDerWaalsContact O-N 3.11Å; V97-A99 PolarHBondContact O-N 3.12Å
98F24.2Very low23Very low160 Ų160139.4 Ų139.470%0.70276%0.755SS**  trans-70.3114.2160.1-69.1-83.2000107.5L96 N100L96-F98 HydrophobicContact CB-CD2 4.25Å; L96-F98 HydrophobicContact CB-CE2 3.85Å; L96-F98 HydrophobicContact CD1-CE2 4.28Å; L96-F98 HydrophobicContact CD1-CZ 4.45Å; L96-F98 PolarHBondContact O-N 2.97Å; L96-F98 VanDerWaalsContact O-N 3.08Å; F98-N100 PolarHBondContact O-N 3Å
99A23.7Very low23.2Very low89 Ų89139.9 Ų139.974%0.73675%0.749SS**SBendtrans-58.5123.1166.800000108.4V97V97-A99 PolarHBondContact O-N 3.12Å
100N25.2Very low23.6Very low125 Ų125141.5 Ų141.567%0.66875%0.748SS**  trans69.181170.5-70.9-14.4000117.8F98F98-N100 PolarHBondContact O-N 3Å
101Q23.3Very low24Very low186 Ų186135.4 Ų135.487%0.86974%0.737SS**  trans-126.9103.9142.4-72.6-164.4-2.200110.3
102S23.1Very low24.5Very low105 Ų105131.4 Ų131.473%0.73472%0.723SS**  trans-132.1110152.258.90000108.2S104S102-S104 PolarHBondContact O-N 3.48Å
103P23.1Very low25.1Very low119 Ų119128.9 Ų128.977%0.77370%0.7SS**  trans-81.8100.1176.329.9-28000108.6V105P103-V105 PolarHBondContact O-N 2.99Å; P103-V105 VanDerWaalsContact O-N 3.16Å
104S22.6Very low26Very low101 Ų101128.4 Ų128.471%0.70670%0.699SS**  trans-77.695.4166.334.60000109.5S102 L106S102-S104 PolarHBondContact O-N 3.48Å; S104-L106 PolarHBondContact O-N 2.98Å
105V21.3Very low26.9Very low131 Ų131123.8 Ų123.879%0.79468%0.682SS**  trans-69.995.2167.8178.90000108.2P103 S107P103-V105 PolarHBondContact O-N 2.99Å; P103-V105 VanDerWaalsContact O-N 3.16Å; V105-S107 PolarHBondContact O-N 3.42Å
106L23.2Very low27.8Very low137 Ų137122.1 Ų122.172%0.71767%0.673SS**  trans-72.8101.3166.5-92.7152.8000108.7S104 V108S104-L106 PolarHBondContact O-N 2.98Å; L106-V108 PolarHBondContact O-N 2.87Å
107S24.6Very low29.1Very low109 Ų109122.5 Ų122.576%0.76267%0.672SS**  trans-69.8109.6168.359.30000109.3V105V105-S107 PolarHBondContact O-N 3.42Å
108V26.1Very low30.3Very low102 Ų102124.3 Ų124.362%0.61867%0.667SS**  trans-81125.7171.5-1780000108.1L106L106-V108 PolarHBondContact O-N 2.87Å
109N26.8Very low31.4Very low115 Ų115121.6 Ų121.662%0.61566%0.659SS**  trans-76.8132.6-176.4-147.8-5.4000109.8T111 T112N109-T111 PolarHBondContact O-N 3.37Å; N109-T112 PolarHBondContact O-N 2.79Å; N109-T112 PolarHBondContact O-OG1 3.06Å
110R33.8Very low32.6Very low208 Ų208120.8 Ų120.879%0.78565%0.645SS**Hα-helixtrans-59.2-19.6-175.2-73.3-173.5-165.6175.64.6114.3
111T33.4Very low34Very low100 Ų100118.6 Ų118.661%0.61364%0.644SS**Hα-helixtrans-72.5-29.2177.549.20000113N109N109-T111 PolarHBondContact O-N 3.37Å
112T34.1Very low35.5Very low70 Ų70115.4 Ų115.443%0.42963%0.633SS.*Hα-helixtrans-76.8-28.2177.454.20000112.5N109 A115 L116N109-T112 PolarHBondContact O-N 2.79Å; N109-T112 PolarHBondContact O-OG1 3.06Å; T112-A115 PolarHBondContact O-N 3.01Å; T112-L116 PolarHBondContact O-N 2.79Å
113E36.2Very low37Very low96 Ų96113.1 Ų113.145%0.44961%0.612SS.*Hα-helixtrans-65.5-48.4179.7-161.7171.1-159.100111.4A115 L116 E117E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.87Å; E113-L116 PolarHBondContact O-N 2.81Å; E113-E117 PolarHBondContact O-N 2.81Å; E113-E117 VanDerWaalsContact O-N 3.17Å
114R38.7Very low39.2Very low202 Ų202113.7 Ų113.776%0.76261%0.608SS**Hα-helixtrans-65.8-32.8177.7-71-174.7175.4-178.3-2.1113.7L116 Y118R114-L116 VanDerWaalsContact C-N 3.29Å; R114-Y118 PolarHBondContact O-N 3.22Å
115A39.6Very low41.4Very low54 Ų54119.5 Ų119.545%0.44662%0.615SS.*Hα-helixtrans-70.1-27.617700000112.3T112 E113 N119T112-A115 PolarHBondContact O-N 3.01Å; E113-A115 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 2.87Å; A115-N119 PolarHBondContact O-ND2 3.23Å
116L40.2Very low43.8Very low110 Ų110120.8 Ų120.858%0.57661%0.612SS**Hα-helixtrans-77.5-42.4175.3-82.9157.7000111.8T112 E113 R114 Y118 N119 V120T112-L116 PolarHBondContact O-N 2.79Å; E113-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact C-N 3.29Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 3.22Å; L116-N119 PolarHBondContact O-N 2.89Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.79Å
117E45.8Very low46.1Very low132 Ų132119.5 Ų119.562%0.61760%0.601SS**Hα-helixtrans-57.8-44.5178.3-73.2179.716400112.6E113 N119 V120 A121E113-E117 PolarHBondContact O-N 2.81Å; E113-E117 VanDerWaalsContact O-N 3.17Å; E117-N119 PolarHBondContact O-N 2.95Å; E117-V120 PolarHBondContact O-N 2.84Å; E117-A121 PolarHBondContact O-N 2.88Å
118Y46.5Very low48.3Very low160 Ų160117.4 Ų117.463%0.62758%0.58SS**Hα-helixtrans-67.1-37-178.1-170.6-98.6000113R114 L116 N122R114-Y118 PolarHBondContact O-N 3.22Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 3.22Å; Y118-N122 PolarHBondContact O-N 3Å
119N46.9Very low50.6Low103 Ų103114.8 Ų114.855%0.55157%0.569SS**Hα-helixtrans-72.8-32.1-179.2-76.5-47.4000112.5A115 L116 E117 M123A115-N119 PolarHBondContact O-ND2 3.23Å; L116-N119 PolarHBondContact O-N 2.89Å; E117-N119 PolarHBondContact O-N 2.95Å; N119-M123 WeakPolarHBondContact O-CG 3.49Å
120V50.9Low53Low72 Ų72115.4 Ų115.444%0.43657%0.569SS.*Hα-helixtrans-73.1-36.3176.6177.20000111.3L116 E117 N122 M123 L128L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.79Å; E117-V120 PolarHBondContact O-N 2.84Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.9Å; V120-M123 PolarHBondContact O-N 3.49Å; V120-L128 HydrophobicContact CG1-CD2 4.18Å
121A54.5Low55Low79 Ų79109.2 Ų109.265%0.65355%0.551SS**Hα-helixtrans-65.2-30.2179.700000113.6E117E117-A121 PolarHBondContact O-N 2.88Å
122N54.9Low57.2Low118 Ų118107.8 Ų107.863%0.63155%0.545SS*.THydrogen-bonded Turntrans-96.16.9-178.8-85-3000114.3Y118 V120Y118-N122 PolarHBondContact O-N 3Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.9Å
123M54.3Low59.3Low57 Ų57113.3 Ų113.328%0.28156%0.558SS.*SBendtrans-81.4135.8175.7-85.4157.460.300111.5N119 V120 R125 F127 L128 L131N119-M123 WeakPolarHBondContact O-CG 3.49Å; V120-M123 PolarHBondContact O-N 3.49Å; M123-R125 PolarHBondContact O-N 3.45Å; M123-F127 HydrophobicContact CB-CD1 4.48Å; M123-F127 HydrophobicContact CE-CD1 3.43Å; M123-F127 VanDerWaalsContact CE-CD1 3.43Å; M123-F127 HydrophobicContact CE-CE1 3.63Å; M123-F127 HydrophobicContact CG-CD1 4.13Å; M123-F127 HydrophobicContact SD-CD1 4.44Å; M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4Å; M123-L128 HydrophobicContact CB-CG 3.95Å; M123-L128 HydrophobicContact CE-CD2 3.61Å; M123-L128 HydrophobicContact CE-CG 4.44Å; M123-L131 HydrophobicContact CE-CD1 3.14Å
124D68.2Low61.4Low132 Ų132112.6 Ų112.671%0.70656%0.56SS**  trans-54.1137.2176.9-109.9-35.9000111.9H126 F127 L128D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 VanDerWaalsContact O-N 3.12Å; D124-F127 HydrophobicContact CB-CB 4.3Å; D124-F127 WeakPolarHBondContact O-CA 3.35Å; D124-F127 WeakPolarHBondContact O-CB 3.41Å; D124-F127 PolarHBondContact O-N 3.39Å; D124-L128 PolarHBondContact O-N 3.36Å
125R69.6Low63.4Low222 Ų222107.9 Ų107.984%0.83855%0.55SS*.Hα-helixtrans-56.1-33.8-178.1-76.4-172.8-177.4-148.91.6112.9M123 A129M123-R125 PolarHBondContact O-N 3.45Å; R125-A129 WeakPolarHBondContact O-CB 3.4Å; R125-A129 PolarHBondContact O-N 2.85Å
126H70.5Confident65.3Low158 Ų158110.3 Ų110.373%0.73156%0.555SS**Hα-helixtrans-66.8-37.9174.7-83.1-72.7000112.6D124 A129 Q130D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 VanDerWaalsContact O-N 3.12Å; H126-A129 PolarHBondContact O-N 3.25Å; H126-Q130 WeakPolarHBondContact O-CG 3.16Å; H126-Q130 PolarHBondContact O-N 2.85Å
127F72.3Confident67.3Low111 Ų111111 Ų11149%0.48756%0.558SS.*Hα-helixtrans-70.9-41.1177.9-166.9-112.3000111.3M123 D124 A129 Q130 L131M123-F127 HydrophobicContact CB-CD1 4.48Å; M123-F127 HydrophobicContact CE-CD1 3.43Å; M123-F127 VanDerWaalsContact CE-CD1 3.43Å; M123-F127 HydrophobicContact CE-CE1 3.63Å; M123-F127 HydrophobicContact CG-CD1 4.13Å; M123-F127 HydrophobicContact SD-CD1 4.44Å; D124-F127 HydrophobicContact CB-CB 4.3Å; D124-F127 WeakPolarHBondContact O-CA 3.35Å; D124-F127 WeakPolarHBondContact O-CB 3.41Å; D124-F127 PolarHBondContact O-N 3.39Å; F127-A129 PolarHBondContact O-N 2.81Å; F127-Q130 PolarHBondContact O-N 3.4Å; F127-L131 HydrophobicContact CD1-CD1 3.61Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CG 4.3Å; F127-L131 HydrophobicContact CG-CD1 4.4Å; F127-L131 HydrophobicContact CZ-CD1 4.08Å; F127-L131 WeakPolarHBondContact O-CB 3.42Å; F127-L131 PolarHBondContact O-N 3.31Å
128L70.9Confident68.8Low64 Ų64109.4 Ų109.434%0.33555%0.553SS.*Hα-helixtrans-61.7-41.6172.9-70.5172.5000112.2V120 M123 D124 L131 S132V120-L128 HydrophobicContact CG1-CD2 4.18Å; M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4Å; M123-L128 HydrophobicContact CB-CG 3.95Å; M123-L128 HydrophobicContact CE-CD2 3.61Å; M123-L128 HydrophobicContact CE-CG 4.44Å; D124-L128 PolarHBondContact O-N 3.36Å; L128-L131 PolarHBondContact O-N 2.83Å; L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.72Å
129A74.6Confident70.3Confident47 Ų47104.4 Ų104.439%0.38854%0.537SS..Hα-helixtrans-63.9-43.1176.500000111.9R125 H126 F127 S132 R133R125-A129 WeakPolarHBondContact O-CB 3.4Å; R125-A129 PolarHBondContact O-N 2.85Å; H126-A129 PolarHBondContact O-N 3.25Å; F127-A129 PolarHBondContact O-N 2.81Å; A129-S132 PolarHBondContact O-N 2.49Å; A129-S132 PolarHBondContact O-OG 2.89Å; A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.22Å; A129-R133 VanDerWaalsContact O-N 3.15Å
130Q76.5Confident71.7Confident128 Ų128103.5 Ų103.560%0.59853%0.531SS*.Hα-helixtrans-64.9-43.7175.6-74.9-174.6-7.600112.1H126 F127 S132 R133 V134H126-Q130 WeakPolarHBondContact O-CG 3.16Å; H126-Q130 PolarHBondContact O-N 2.85Å; F127-Q130 PolarHBondContact O-N 3.4Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; Q130-S132 PolarHBondContact O-N 2.8Å; Q130-R133 PolarHBondContact O-N 3.08Å; Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.38Å
131L76.2Confident72.6Confident78 Ų78101.7 Ų101.741%0.40853%0.527SS..Hα-helixtrans-61.2-42.2175.4-83.6165.4000112.1M123 F127 L128 R133 V134 L135M123-L131 HydrophobicContact CE-CD1 3.14Å; F127-L131 HydrophobicContact CD1-CD1 3.61Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CG 4.3Å; F127-L131 HydrophobicContact CG-CD1 4.4Å; F127-L131 HydrophobicContact CZ-CD1 4.08Å; F127-L131 WeakPolarHBondContact O-CB 3.42Å; F127-L131 PolarHBondContact O-N 3.31Å; L128-L131 PolarHBondContact O-N 2.83Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 2.84Å; L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.6Å
132S79.3Confident73.3Confident71 Ų71102.7 Ų102.750%0.49752%0.521SS..Hα-helixtrans-61.5-38.1176.877.20000112.3L128 A129 Q130 L136L128-S132 WeakPolarHBondContact O-CB 3.38Å; L128-S132 PolarHBondContact O-N 2.72Å; A129-S132 PolarHBondContact O-N 2.49Å; A129-S132 PolarHBondContact O-OG 2.89Å; Q130-S132 VanDerWaalsContact C-N 3.35Å; Q130-S132 PolarHBondContact O-N 2.8Å; S132-L136 VanDerWaalsContact O-CB 3.29Å; S132-L136 WeakPolarHBondContact O-CB 3.34Å; S132-L136 PolarHBondContact O-N 2.96Å
133R79Confident73.8Confident185 Ų185101 Ų10170%0.69852%0.515SS*.Hα-helixtrans-68.2-43.8176.5-73.1178.6177-170-0.8111.6A129 Q130 L131 L136 L137A129-R133 WeakPolarHBondContact O-CG 3.44Å; A129-R133 PolarHBondContact O-N 3.22Å; A129-R133 VanDerWaalsContact O-N 3.15Å; Q130-R133 PolarHBondContact O-N 3.08Å; L131-R133 VanDerWaalsContact C-N 3.29Å; L131-R133 PolarHBondContact O-N 3.3Å; R133-L136 PolarHBondContact O-N 3.15Å; R133-L137 WeakPolarHBondContact O-CB 3.19Å; R133-L137 WeakPolarHBondContact O-CG 3.49Å; R133-L137 PolarHBondContact O-N 2.98Å
134V79.5Confident74Confident82 Ų82104.5 Ų104.550%0.49753%0.531SS..Hα-helixtrans-64.6-41.8176.4174.80000110.7Q130 L131 L137 L138Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 2.84Å; V134-L137 PolarHBondContact O-N 3.32Å; V134-L138 HydrophobicContact CG1-CD1 3.99Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.41Å
135L80.1Confident73.3Confident103 Ų103101 Ų10154%0.53952%0.52SS..Hα-helixtrans-66-40.5177.6-157.488.7000111.7L131 L138 L139L131-L135 VanDerWaalsContact O-CB 3.28Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.6Å; L135-L138 PolarHBondContact O-N 2.74Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.8Å
136L81.2Confident72.6Confident105 Ų10594 Ų9455%0.5551%0.505SS..Hα-helixtrans-65.2-42.5175.8-172.170.9000111.4S132 R133 L139 I140S132-L136 VanDerWaalsContact O-CB 3.29Å; S132-L136 WeakPolarHBondContact O-CB 3.34Å; S132-L136 PolarHBondContact O-N 2.96Å; R133-L136 PolarHBondContact O-N 3.15Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.07Å; L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.17Å; L136-I140 PolarHBondContact O-N 2.98Å
137L80.4Confident71.8Confident123 Ų12392.5 Ų92.564%0.64450%0.502SS*.Hα-helixtrans-63.7-41.2174.7-75167.4000111.9R133 V134 I140 G141R133-L137 WeakPolarHBondContact O-CB 3.19Å; R133-L137 WeakPolarHBondContact O-CG 3.49Å; R133-L137 PolarHBondContact O-N 2.98Å; V134-L137 PolarHBondContact O-N 3.32Å; L137-I140 PolarHBondContact O-N 2.95Å; L137-G141 PolarHBondContact O-N 3.04Å
138L78.7Confident70.7Confident100 Ų10091.1 Ų91.152%0.52451%0.511SS..Hα-helixtrans-63.2-41.4172.9-79.5165.5000111.4V134 L135 G141 N142V134-L138 HydrophobicContact CG1-CD1 3.99Å; V134-L138 WeakPolarHBondContact O-CB 3.4Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.41Å; L135-L138 PolarHBondContact O-N 2.74Å; L138-G141 PolarHBondContact O-N 3.36Å; L138-N142 WeakPolarHBondContact O-CB 3.33Å; L138-N142 PolarHBondContact O-N 2.83Å; L138-N142 PolarHBondContact O-ND2 2.88Å
139L77.8Confident69.6Low55 Ų5591.4 Ų91.429%0.28852%0.522SS..Hα-helixtrans-62.3-47.1175.9-83.9164.2000111.4L40 L135 L136 G141 N142 V143L40-L139 HydrophobicContact CD2-CD2 3.65Å; L135-L139 HydrophobicContact CD2-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.8Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.07Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.26Å; L139-N142 PolarHBondContact O-N 3.11Å; L139-V143 VanDerWaalsContact O-CG2 3.27Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.12Å
140I76.8Confident68.3Low84 Ų8497.3 Ų97.343%0.43154%0.542SS..Hα-helixtrans-62.3-44.3177.4-65.3162.9000110.3L136 L137 N142 V143 Q144L136-I140 HydrophobicContact CG-CD1 4.05Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.17Å; L136-I140 PolarHBondContact O-N 2.98Å; L137-I140 PolarHBondContact O-N 2.95Å; I140-N142 PolarHBondContact O-N 2.91Å; I140-V143 PolarHBondContact O-N 2.92Å; I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 3.43Å
141G70.3Confident67Low33 Ų3394.5 Ų94.534%0.3454%0.536SS..Hα-helixtrans-60.8-41176.300000113L137 L138 L139 Q144 A145L137-G141 PolarHBondContact O-N 3.04Å; L138-G141 PolarHBondContact O-N 3.36Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.26Å; G141-Q144 PolarHBondContact O-N 2.9Å; G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.45Å
142N68.4Low65.9Low100 Ų10097.3 Ų97.354%0.53555%0.552SS.*Hα-helixtrans-70.7-35.2176.4-77.4-64.1000112.7L138 L139 I140 A145 S146L138-N142 WeakPolarHBondContact O-CB 3.33Å; L138-N142 PolarHBondContact O-N 2.83Å; L138-N142 PolarHBondContact O-ND2 2.88Å; L139-N142 PolarHBondContact O-N 3.11Å; I140-N142 PolarHBondContact O-N 2.91Å; N142-A145 PolarHBondContact O-N 2.73Å; N142-S146 WeakPolarHBondContact O-CB 3.16Å; N142-S146 PolarHBondContact O-N 3.31Å
143V65.8Low64.6Low82 Ų8298 Ų9850%0.49754%0.544SS..Hα-helixtrans-67.4-39.9174172.90000110.7L139 I140 S146 L147L139-V143 VanDerWaalsContact O-CG2 3.27Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 3.12Å; I140-V143 PolarHBondContact O-N 2.92Å; V143-S146 PolarHBondContact O-N 3.42Å; V143-S146 PolarHBondContact O-OG 2.67Å; V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.17Å; V143-L147 PolarHBondContact O-N 3.18Å
144Q57.1Low63.8Low131 Ų13192.7 Ų92.761%0.61253%0.533SS*.Hα-helixtrans-66.9-39.3173.5-73.4179-60.600112.1I140 G141 L147 A148I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 3.43Å; G141-Q144 PolarHBondContact O-N 2.9Å; Q144-L147 PolarHBondContact O-N 2.91Å; Q144-A148 WeakPolarHBondContact O-CB 3.4Å; Q144-A148 PolarHBondContact O-N 3.48Å
145A53.9Low63.5Low58 Ų5889.2 Ų89.248%0.47951%0.513SS..Hα-helixtrans-66.3-37176.600000112.5G141 N142 A148 A149G141-A145 WeakPolarHBondContact O-CB 3.26Å; G141-A145 PolarHBondContact O-N 3.45Å; N142-A145 PolarHBondContact O-N 2.73Å; A145-A148 PolarHBondContact O-N 3.33Å; A145-A149 PolarHBondContact O-N 3.08Å
146S55.5Low63.7Low76 Ų7686.8 Ų86.853%0.53151%0.505SS..Hα-helixtrans-73.6-31.6176.778.20000112.9N142 V143 A149N142-S146 WeakPolarHBondContact O-CB 3.16Å; N142-S146 PolarHBondContact O-N 3.31Å; V143-S146 PolarHBondContact O-N 3.42Å; V143-S146 PolarHBondContact O-OG 2.67Å; S146-A149 PolarHBondContact O-N 3.39Å
147L53.4Low64.2Low127 Ų12784.2 Ų84.267%0.66549%0.488SS*.Hα-helixtrans-71.4-34.5171.4-69.4172.8000112.1V143 Q144 A149V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 VanDerWaalsContact O-CG 3.26Å; V143-L147 WeakPolarHBondContact O-CG 3.17Å; V143-L147 PolarHBondContact O-N 3.18Å; Q144-L147 PolarHBondContact O-N 2.91Å; L147-A149 VanDerWaalsContact C-N 3.32Å
148A48.2Very low64.8Low82 Ų8281 Ų8168%0.67847%0.474SS*.Hα-helixtrans-76-19.6175.200000113Q144 A145 E150Q144-A148 WeakPolarHBondContact O-CB 3.4Å; Q144-A148 PolarHBondContact O-N 3.48Å; A145-A148 PolarHBondContact O-N 3.33Å; A148-E150 PolarHBondContact O-N 3.28Å
149A48.4Very low65.5Low69 Ų6976.4 Ų76.457%0.5745%0.449SS*.  trans-74.857.2165.600000110A145 S146 L147 S151A145-A149 PolarHBondContact O-N 3.08Å; S146-A149 PolarHBondContact O-N 3.39Å; L147-A149 VanDerWaalsContact C-N 3.32Å; A149-S151 PolarHBondContact O-N 2.95Å
150E47.9Very low66.4Low171 Ų17175.4 Ų75.480%0.79945%0.445SS*.  trans-57.992.2149.4-76.3-173.7177.100105.6A148 N152A148-E150 PolarHBondContact O-N 3.28Å; E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.11Å
151S49.7Very low67.3Low69 Ų6971.8 Ų71.848%0.48343%0.428SS..  trans-47.4127.416954.80000106.2A149 Y153A149-S151 PolarHBondContact O-N 2.95Å; S151-Y153 PolarHBondContact O-N 2.78Å
152N53.3Low68.5Low138 Ų13872.8 Ų72.874%0.73843%0.429SS*.  trans-62.358.7164.3-88-35.1000109.3E150 T154 R241E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.11Å; N152-T154 PolarHBondContact O-N 2.82Å; N152-R241 PolarHBondContact OD1-NH2 2.92Å
153Y51.7Low69.8Low85 Ų8574.9 Ų74.933%0.33343%0.429SS..  trans-73.288.4175-166.7-105.6000105.8S151 G155 E179S151-Y153 PolarHBondContact O-N 2.78Å; Y153-G155 PolarHBondContact O-N 2.93Å; Y153-E179 HydrophobicContact CE1-CB 3.98Å; Y153-E179 WeakPolarHBondContact CE1-OE2 3.36Å; Y153-E179 PolarHBondContact OH-OE2 3.41Å
154T61.4Low71.1Confident74 Ų7474.3 Ų74.345%0.45442%0.423SS..  trans-72101.8160.452.90000104.3N152 L243N152-T154 PolarHBondContact O-N 2.82Å; T154-L243 WeakPolarHBondContact CB-O 3.27Å; T154-L243 WeakPolarHBondContact CG2-O 3.35Å
155G72.5Confident72.8Confident8 Ų868.1 Ų68.18%0.08239%0.394CS..  trans-48.3158.2-173.200000114.1Y153 Y157 E179Y153-G155 PolarHBondContact O-N 2.93Å; G155-Y157 WeakPolarHBondContact O-CD1 3.45Å; G155-E179 VanDerWaalsContact CA-O 3.23Å; G155-E179 WeakPolarHBondContact CA-O 3.45Å
156S85.9Confident74.6Confident52 Ų5269.1 Ų69.136%0.36439%0.385SS..  trans-77.6133.3178.2-65.20000110.7L178 E179S156-L178 PolarHBondContact O-N 3.2Å; S156-E179 PolarHBondContact O-N 3.16Å
157Y90.2Very high76.3Confident51 Ų5165.7 Ų65.720%0.236%0.361CS..EExtended strand (participates in β ladder)trans-139.5159.7-177.760.4-91.5000111.7G155 I159 N176 F244 Q246G155-Y157 WeakPolarHBondContact O-CD1 3.45Å; Y157-I159 HydrophobicContact CD2-CD1 3.8Å; Y157-I159 HydrophobicContact CD2-CG1 3.93Å; Y157-I159 HydrophobicContact CE2-CD1 3.8Å; Y157-I159 HydrophobicContact CE2-CG1 4.37Å; Y157-N176 CarbonylContact C-O 3.55Å; Y157-N176 WeakPolarHBondContact CA-O 3.23Å; Y157-F244 HydrophobicContact CD1-CB 4.31Å; Y157-F244 AromaticContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CD1 3.5Å; Y157-F244 VanDerWaalsContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CE1 4.04Å; Y157-F244 HydrophobicContact CD1-CG 4.05Å; Y157-F244 HydrophobicContact CD2-CD1 4.16Å; Y157-F244 HydrophobicContact CD2-CE1 4.16Å; Y157-F244 HydrophobicContact CD2-CG 4.4Å; Y157-F244 HydrophobicContact CD2-CZ 4.45Å; Y157-F244 HydrophobicContact CE1-CB 3.45Å; Y157-F244 VanDerWaalsContact CE1-CB 3.45Å; Y157-F244 AromaticContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CE1 4.41Å; Y157-F244 AromaticContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE2-CB 4.36Å; Y157-F244 HydrophobicContact CE2-CD1 4.16Å; Y157-F244 HydrophobicContact CE2-CD2 4.1Å; Y157-F244 HydrophobicContact CE2-CE1 4.49Å; Y157-F244 HydrophobicContact CE2-CE2 4.49Å; Y157-F244 AromaticContact CE2-CG 3.95Å; Y157-F244 HydrophobicContact CE2-CG 3.95Å; Y157-F244 AromaticContact CG-CD1 3.84Å; Y157-F244 HydrophobicContact CG-CD1 3.84Å; Y157-F244 AromaticContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CG 4.45Å; Y157-F244 VanDerWaalsContact CZ-CB 3.47Å; Y157-F244 AromaticContact CZ-CD1 3.86Å; Y157-F244 AromaticContact CZ-CG 3.52Å; Y157-F244 WeakPolarHBondContact OH-CB 3.48Å; Y157-Q246 HydrophobicContact CE2-CG 4.08Å; Y157-Q246 WeakPolarHBondContact OH-CG 3.34Å; Y157-Q246 PolarHBondContact OH-NE2 3.41Å
158V93Very high78Confident57 Ų5762 Ų6235%0.34534%0.342SS..EExtended strand (participates in β ladder)trans-130.9128.3172.2-178.20000108V160 V175 N176 L178V158-V160 HydrophobicContact CG1-CG2 4.06Å; V158-V175 WeakPolarHBondContact O-CA 3.43Å; V158-N176 PolarHBondContact N-O 2.88Å; V158-N176 PolarHBondContact O-N 2.82Å; V158-L178 HydrophobicContact CG2-CD1 4.18Å; V158-L178 HydrophobicContact CG2-CG 4.43Å
159I94.6Very high80Confident2 Ų259.7 Ų59.71%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-120.3126.5176.7-58.4163.4000107.7Y157 V173 V174 V175 V233 F244 Q246Y157-I159 HydrophobicContact CD2-CD1 3.8Å; Y157-I159 HydrophobicContact CD2-CG1 3.93Å; Y157-I159 HydrophobicContact CE2-CD1 3.8Å; Y157-I159 HydrophobicContact CE2-CG1 4.37Å; I159-V173 HydrophobicContact CG2-CG1 3.73Å; I159-V174 WeakPolarHBondContact CA-O 3.38Å; I159-V175 HydrophobicContact CG1-CG1 4.11Å; I159-V175 HydrophobicContact CG2-CG1 4.35Å; I159-V233 HydrophobicContact CD1-CB 4.29Å; I159-V233 HydrophobicContact CD1-CG1 4.11Å; I159-V233 HydrophobicContact CG2-CG2 4.38Å; I159-F244 HydrophobicContact CD1-CD2 4.11Å; I159-F244 HydrophobicContact CD1-CE2 3.4Å; I159-F244 HydrophobicContact CD1-CZ 3.72Å; I159-F244 HydrophobicContact CG1-CZ 4.48Å; I159-Q246 HydrophobicContact CD1-CB 4.44Å
160V96Very high82.2Confident34 Ų3459.9 Ų59.921%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-125.8127.3178-178.60000108.3F75 V158 V174F75-V160 HydrophobicContact CB-CG1 3.99Å; F75-V160 HydrophobicContact CD1-CG1 3.13Å; F75-V160 HydrophobicContact CE1-CG1 3.68Å; F75-V160 HydrophobicContact CG-CG1 3.71Å; V158-V160 HydrophobicContact CG1-CG2 4.06Å; V160-V174 HydrophobicContact CB-CB 4.44Å; V160-V174 PolarHBondContact N-O 2.81Å; V160-V174 PolarHBondContact O-N 2.82Å
161A96.3Very high84.4Confident8 Ų852.1 Ų52.17%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-146.9152.4175.300000110.5Y171 V173 L231A161-Y171 HydrophobicContact CB-CE1 4.29Å; A161-Y171 VanDerWaalsContact CB-OH 3.31Å; A161-Y171 WeakPolarHBondContact CB-OH 3.4Å; A161-V173 HydrophobicContact CB-CG1 4.37Å; A161-V173 HydrophobicContact CB-CG2 4.1Å; A161-L231 HydrophobicContact CB-CD2 3.64Å
162P95.6Very high86.6Confident54 Ų5450.6 Ų50.635%0.35127%0.265SS..  trans-63.5141.1174.2-20.332.6000111.7L164 Y171 V172P162-L164 VanDerWaalsContact C-N 3.27Å; P162-L164 PolarHBondContact O-N 2.78Å; P162-Y171 HydrophobicContact CB-CE2 4.09Å; P162-Y171 HydrophobicContact CG-CE2 4.24Å; P162-Y171 WeakPolarHBondContact O-CE2 3.36Å; P162-Y171 PolarHBondContact O-OH 2.8Å; P162-V172 VanDerWaalsContact CD-O 3.3Å; P162-V172 WeakPolarHBondContact CD-O 3.49Å
163R94.6Very high88.7Confident144 Ų14444 Ų4454%0.54323%0.229SC..SBendtrans-68.9-28.2173.4174.7175.9160.2163.5-3.2112.9L250 E251R163-L250 WeakPolarHBondContact O-CA 3.32Å; R163-E251 HydrophobicContact CG-CB 4.38Å; R163-E251 IonicContact CZ-OE2 3.92Å; R163-E251 IonicContact NE-OE2 2.8Å; R163-E251 PolarHBondContact NE-OE2 3.1Å; R163-E251 IonicContact NH2-OE2 3.21Å; R163-E251 PolarHBondContact NH2-OE2 3.23Å; R163-E251 PolarHBondContact O-N 2.83Å
164L93.3Very high90.8Very high70 Ų7041.6 Ų41.637%0.36622%0.223SC..EExtended strand (participates in β ladder)trans-94.3133.8-172.6-59.9167.9000110.8P162 E251 V253P162-L164 VanDerWaalsContact C-N 3.27Å; P162-L164 PolarHBondContact O-N 2.78Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; L164-E251 HydrophobicContact CD2-CB 3.86Å; L164-E251 HydrophobicContact CD2-CG 3.86Å; L164-V253 HydrophobicContact CD2-CG2 3.67Å
165I93.8Very high92.4Very high2 Ų238.1 Ų38.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-113.7144.516658170.5000109.8Y171 V190 L223 Y229 L250 E251 F252 V253I165-Y171 HydrophobicContact CG2-CD2 3.61Å; I165-Y171 HydrophobicContact CG2-CE2 3.59Å; I165-Y171 HydrophobicContact CG2-CG 4.33Å; I165-V190 HydrophobicContact CD1-CG1 4.19Å; I165-L223 HydrophobicContact CD1-CD1 4.27Å; I165-Y229 HydrophobicContact CD1-CD1 4.35Å; I165-Y229 HydrophobicContact CD1-CD2 4.02Å; I165-Y229 HydrophobicContact CD1-CG 3.77Å; I165-L250 HydrophobicContact CD1-CB 4.43Å; I165-L250 HydrophobicContact CD1-CD1 4.39Å; I165-L250 HydrophobicContact CG1-CB 4.41Å; I165-L250 HydrophobicContact CG2-CB 4.41Å; I165-L250 HydrophobicContact CG2-CD1 3.77Å; I165-L250 HydrophobicContact CG2-CD2 4.38Å; I165-L250 HydrophobicContact CG2-CG 4.41Å; I165-E251 PolarHBondContact N-O 2.92Å; I165-F252 HydrophobicContact CD1-CB 4.5Å; I165-F252 HydrophobicContact CD1-CD2 4.27Å; I165-F252 HydrophobicContact CG1-CB 4.23Å; I165-F252 HydrophobicContact CG1-CD2 4.13Å; I165-V253 PolarHBondContact O-N 2.87Å
166R91.9Very high93.4Very high79 Ų7939.7 Ų39.730%0.29821%0.209SC..  trans-130.9144.7178.1-74.5176.2177.9122.9-0.9109.1L169 I219 V253 K255 P283R166-L169 HydrophobicContact CB-CB 4.46Å; R166-L169 HydrophobicContact CB-CD1 3.83Å; R166-L169 HydrophobicContact CB-CG 4.36Å; R166-L169 HydrophobicContact CG-CD1 4.48Å; R166-I219 WeakPolarHBondContact O-CB 3.07Å; R166-V253 WeakPolarHBondContact CA-O 2.78Å; R166-V253 HydrophobicContact CG-CB 3.91Å; R166-V253 HydrophobicContact CG-CG1 4.31Å; R166-V253 WeakPolarHBondContact CG-O 3.38Å; R166-K255 VanDerWaalsContact CD-O 3.28Å; R166-K255 WeakPolarHBondContact CD-O 3.44Å; R166-K255 PolarHBondContact NE-O 2.64Å; R166-P283 VanDerWaalsContact CZ-CB 3.5Å
167P90.6Very high93.6Very high3 Ų337.4 Ų37.42%0.01919%0.192CC..THydrogen-bonded Turntrans-63.4151.8177.326.2-30.5000110.7L169 F252 V253 H254 S256P167-L169 PolarHBondContact O-N 3.06Å; P167-F252 HydrophobicContact CB-CE2 4.39Å; P167-F252 HydrophobicContact CG-CE2 4.23Å; P167-F252 HydrophobicContact CG-CZ 4.14Å; P167-V253 WeakPolarHBondContact CD-O 3.5Å; P167-H254 WeakPolarHBondContact CD-O 3.45Å; P167-H254 WeakPolarHBondContact CG-O 3.17Å; P167-S256 WeakPolarHBondContact O-CB 3.28Å
168N89Confident93.5Very high50 Ų5039.4 Ų39.427%0.26721%0.206SC..THydrogen-bonded Turntrans60.23177.1-63.1-48.7000116.8K218 I219N168-K218 WeakPolarHBondContact OD1-CE 3.35Å; N168-K218 PolarHBondContact OD1-NZ 2.95Å; N168-K218 VanDerWaalsContact OD1-NZ 3.12Å; N168-I219 WeakPolarHBondContact CA-O 3.48Å; N168-I219 PolarHBondContact N-O 3.03Å
169L90.5Very high93Very high34 Ų3441.8 Ų41.818%0.17821%0.213CC..SBendtrans-102.2152.2176.5-66.7-177.1000111.3R166 P167 I219 P283R166-L169 HydrophobicContact CB-CB 4.46Å; R166-L169 HydrophobicContact CB-CD1 3.83Å; R166-L169 HydrophobicContact CB-CG 4.36Å; R166-L169 HydrophobicContact CG-CD1 4.48Å; P167-L169 PolarHBondContact O-N 3.06Å; L169-I219 WeakPolarHBondContact O-CG1 3.37Å; L169-I219 PolarHBondContact O-N 3.21Å; L169-P283 HydrophobicContact CD1-CG 3.72Å
170P93.6Very high92.5Very high72 Ų7243.4 Ų43.447%0.46823%0.225SC..  trans-69.3149.9170.229.4-34.3000110.4W215 I216 D217P170-W215 HydrophobicContact CB-CE3 4.12Å; P170-W215 HydrophobicContact CB-CZ3 4.18Å; P170-W215 HydrophobicContact CG-CZ3 4.35Å; P170-I216 WeakPolarHBondContact CA-O 3.29Å; P170-D217 WeakPolarHBondContact CA-O 3.27Å; P170-D217 WeakPolarHBondContact CB-O 3.32Å
171Y95.5Very high91.8Very high8 Ų852.2 Ų52.23%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-125123.5175.1-177-92.7000110A161 P162 I165 V173 I216 L231 L250A161-Y171 HydrophobicContact CB-CE1 4.29Å; A161-Y171 VanDerWaalsContact CB-OH 3.31Å; A161-Y171 WeakPolarHBondContact CB-OH 3.4Å; P162-Y171 HydrophobicContact CB-CE2 4.09Å; P162-Y171 HydrophobicContact CG-CE2 4.24Å; P162-Y171 WeakPolarHBondContact O-CE2 3.36Å; P162-Y171 PolarHBondContact O-OH 2.8Å; I165-Y171 HydrophobicContact CG2-CD2 3.61Å; I165-Y171 HydrophobicContact CG2-CE2 3.59Å; I165-Y171 HydrophobicContact CG2-CG 4.33Å; Y171-V173 HydrophobicContact CD1-CG2 4.11Å; Y171-V173 HydrophobicContact CE1-CG2 3.66Å; Y171-I216 HydrophobicContact CD1-CD1 4.05Å; Y171-I216 PolarHBondContact N-O 2.61Å; Y171-I216 WeakPolarHBondContact O-CB 3.46Å; Y171-I216 PolarHBondContact O-N 2.8Å; Y171-L231 HydrophobicContact CE1-CD1 3.89Å; Y171-L231 HydrophobicContact CE1-CD2 4.17Å; Y171-L250 HydrophobicContact CE2-CD2 4.41Å; Y171-L250 VanDerWaalsContact OH-CD2 3.27Å; Y171-L250 WeakPolarHBondContact OH-CD2 3.44Å
172V95.6Very high91.3Very high37 Ų3756 Ų5622%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-109.8131.7-173.963.20000111.1P162 V174 E213 I214 W215P162-V172 VanDerWaalsContact CD-O 3.3Å; P162-V172 WeakPolarHBondContact CD-O 3.49Å; V172-V174 HydrophobicContact CG2-CG2 4.43Å; V172-E213 HydrophobicContact CG2-CB 3.95Å; V172-E213 HydrophobicContact CG2-CG 4.37Å; V172-I214 WeakPolarHBondContact CA-O 3.3Å; V172-W215 HydrophobicContact CB-CD2 4.35Å; V172-W215 HydrophobicContact CB-CE3 4.37Å; V172-W215 HydrophobicContact CB-CZ3 4.5Å; V172-W215 HydrophobicContact CG2-CD2 4.2Å; V172-W215 HydrophobicContact CG2-CZ2 4.25Å
173V96.9Very high91Very high0 Ų055.2 Ų55.20%027%0.266CS..EExtended strand (participates in β ladder)trans-111.9122.3171.6-178.70000108.2I159 A161 Y171 V175 A188 I214 L231 V233I159-V173 HydrophobicContact CG2-CG1 3.73Å; A161-V173 HydrophobicContact CB-CG1 4.37Å; A161-V173 HydrophobicContact CB-CG2 4.1Å; Y171-V173 HydrophobicContact CD1-CG2 4.11Å; Y171-V173 HydrophobicContact CE1-CG2 3.66Å; V173-V175 HydrophobicContact CG1-CG1 4.08Å; V173-A188 HydrophobicContact CG2-CB 4.21Å; V173-I214 HydrophobicContact CB-CB 4.35Å; V173-I214 PolarHBondContact N-O 2.8Å; V173-I214 PolarHBondContact O-N 3.2Å; V173-L231 HydrophobicContact CG2-CD1 4.02Å; V173-L231 HydrophobicContact CG2-CD2 3.9Å; V173-V233 HydrophobicContact CG1-CG2 4.28Å
174V96.4Very high90.9Very high34 Ų3448.4 Ų48.421%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-98.9127.9179-175.70000108.7I159 V160 V172 L211 E213I159-V174 WeakPolarHBondContact CA-O 3.38Å; V160-V174 HydrophobicContact CB-CB 4.44Å; V160-V174 PolarHBondContact N-O 2.81Å; V160-V174 PolarHBondContact O-N 2.82Å; V172-V174 HydrophobicContact CG2-CG2 4.43Å; V174-L211 HydrophobicContact CG1-CD1 3.34Å; V174-L211 HydrophobicContact CG1-CD2 4.18Å; V174-L211 HydrophobicContact CG1-CG 3.76Å; V174-E213 HydrophobicContact CG2-CG 4.31Å
175V94.9Very high91Very high2 Ų246 Ų461%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-125.2138.5179.9-580000110.9V158 I159 V173 F177 V186 I206 S212 I214V158-V175 WeakPolarHBondContact O-CA 3.43Å; I159-V175 HydrophobicContact CG1-CG1 4.11Å; I159-V175 HydrophobicContact CG2-CG1 4.35Å; V173-V175 HydrophobicContact CG1-CG1 4.08Å; V175-F177 HydrophobicContact CG2-CE2 4.29Å; V175-V186 HydrophobicContact CG1-CG1 4.3Å; V175-V186 HydrophobicContact CG2-CG2 4.42Å; V175-I206 HydrophobicContact CG2-CD1 3.86Å; V175-I206 HydrophobicContact CG2-CG2 4.5Å; V175-S212 PolarHBondContact N-O 2.77Å; V175-S212 PolarHBondContact O-N 2.78Å; V175-I214 HydrophobicContact CG1-CD1 4.04Å; V175-I214 HydrophobicContact CG2-CD1 4.13Å
176N93.2Very high91Very high41 Ų4146 Ų4622%0.21923%0.228CC..EExtended strand (participates in β ladder)trans-134.1121.7172.1-173.16.8000109.4Y157 V158 L211Y157-N176 CarbonylContact C-O 3.55Å; Y157-N176 WeakPolarHBondContact CA-O 3.23Å; V158-N176 PolarHBondContact N-O 2.88Å; V158-N176 PolarHBondContact O-N 2.82Å; N176-L211 HydrophobicContact CB-CD1 3.97Å
177F91Very high91.2Very high3 Ų348.1 Ų48.11%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-91.5116.1172.5-69.6-89.4000108.2V175 V184 V186 I206 A208 G209 L243 F244V175-F177 HydrophobicContact CG2-CE2 4.29Å; F177-V184 HydrophobicContact CD1-CG2 4.03Å; F177-V184 HydrophobicContact CE1-CB 3.97Å; F177-V184 HydrophobicContact CE1-CG1 3.72Å; F177-V184 HydrophobicContact CE1-CG2 3.8Å; F177-V184 HydrophobicContact CE2-CB 3.95Å; F177-V184 HydrophobicContact CE2-CG1 4.11Å; F177-V184 HydrophobicContact CE2-CG2 4.41Å; F177-V184 HydrophobicContact CG-CG2 4.41Å; F177-V184 HydrophobicContact CZ-CB 3.66Å; F177-V184 HydrophobicContact CZ-CG1 3.37Å; F177-V184 HydrophobicContact CZ-CG2 4.02Å; F177-V186 HydrophobicContact CE2-CG2 3.64Å; F177-V186 HydrophobicContact CZ-CG2 3.51Å; F177-I206 HydrophobicContact CD2-CB 4.36Å; F177-I206 HydrophobicContact CD2-CG2 3.5Å; F177-I206 HydrophobicContact CE2-CB 4.19Å; F177-I206 HydrophobicContact CE2-CG2 3.69Å; F177-A208 HydrophobicContact CB-CB 4.47Å; F177-A208 CarbonylContact O-C 3.59Å; F177-A208 WeakPolarHBondContact O-CA 3.34Å; F177-G209 PolarHBondContact O-N 3.07Å; F177-L243 HydrophobicContact CE1-CD1 4.49Å; F177-F244 HydrophobicContact CE1-CD1 4.37Å; F177-F244 AromaticContact CE1-CE1 3.6Å; F177-F244 HydrophobicContact CE1-CE1 3.6Å; F177-F244 AromaticContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CZ 4.26Å
178L88.3Confident91.5Very high94 Ų9448 Ų4849%0.49224%0.235SC..SBendtrans-75.4-38.3178.1-55.8179000110.2S156 V158S156-L178 PolarHBondContact O-N 3.2Å; V158-L178 HydrophobicContact CG2-CD1 4.18Å; V158-L178 HydrophobicContact CG2-CG 4.43Å
179E82.6Confident91.9Very high107 Ų10749.1 Ų49.150%0.524%0.236SC..SBendtrans-141.9121.1178.4-65.9-173.5-161.400110.8Y153 G155 S156Y153-E179 HydrophobicContact CE1-CB 3.98Å; Y153-E179 WeakPolarHBondContact CE1-OE2 3.36Å; Y153-E179 PolarHBondContact OH-OE2 3.41Å; G155-E179 VanDerWaalsContact CA-O 3.23Å; G155-E179 WeakPolarHBondContact CA-O 3.45Å; S156-E179 PolarHBondContact O-N 3.16Å
180S82.7Confident92.2Very high35 Ų3547.5 Ų47.525%0.24523%0.227CC..  trans-150.7138.5170.9-170.50000110.2E182S180-E182 PolarHBondContact OG-O 3.22Å
181R81.5Confident92.3Very high220 Ų22044.7 Ų44.783%0.8321%0.208SC*.SBendtrans-85.3-26.2176.9-64-177.8-177.2168.91.4112.6
182E86.1Confident92.2Very high86 Ų8644.6 Ų44.640%0.40221%0.208SC..SBendtrans-123154.9-178.6-68.1179.8-168.600109.8S180 T237 S239S180-E182 PolarHBondContact OG-O 3.22Å; E182-T237 HydrophobicContact CB-CG2 4.39Å; E182-T237 WeakPolarHBondContact OE2-CB 3.25Å; E182-S239 PolarHBondContact OE2-OG 3.41Å
183P89.6Confident92Very high39 Ų3945.6 Ų45.625%0.25322%0.221SC..  trans-58.2143.5167-20.232000111.4D205 V238P183-D205 WeakPolarHBondContact CB-OD1 3.3Å; P183-D205 WeakPolarHBondContact CG-OD1 3.39Å; P183-V238 HydrophobicContact CB-CG2 4.02Å; P183-V238 HydrophobicContact CG-CG2 4.49Å; P183-V238 PolarHBondContact O-N 2.86Å
184V92.4Very high91.7Very high0 Ų050.9 Ų50.90%025%0.245CC..EExtended strand (participates in β ladder)trans-112136.1-178.3-169.50000109.7F177 V186 I206 E236 L243F177-V184 HydrophobicContact CD1-CG2 4.03Å; F177-V184 HydrophobicContact CE1-CB 3.97Å; F177-V184 HydrophobicContact CE1-CG1 3.72Å; F177-V184 HydrophobicContact CE1-CG2 3.8Å; F177-V184 HydrophobicContact CE2-CB 3.95Å; F177-V184 HydrophobicContact CE2-CG1 4.11Å; F177-V184 HydrophobicContact CE2-CG2 4.41Å; F177-V184 HydrophobicContact CG-CG2 4.41Å; F177-V184 HydrophobicContact CZ-CB 3.66Å; F177-V184 HydrophobicContact CZ-CG1 3.37Å; F177-V184 HydrophobicContact CZ-CG2 4.02Å; V184-V186 HydrophobicContact CG1-CG2 4.11Å; V184-I206 PolarHBondContact N-O 2.94Å; V184-I206 WeakPolarHBondContact O-CB 3.19Å; V184-I206 PolarHBondContact O-N 2.72Å; V184-E236 CarbonylContact C-O 3.54Å; V184-E236 WeakPolarHBondContact CA-O 3.46Å; V184-E236 WeakPolarHBondContact CG1-O 3.34Å; V184-L243 HydrophobicContact CB-CD1 4.34Å; V184-L243 HydrophobicContact CG1-CD1 3.86Å; V184-L243 HydrophobicContact CG2-CD1 3.48Å; V184-L243 VanDerWaalsContact CG2-CD1 3.48Å
185V94.2Very high91.5Very high21 Ų2153.9 Ų53.913%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-95.2124.8166.5179.70000107.4G203 G235 E236V185-G203 CarbonylContact C-O 3.59Å; V185-G203 WeakPolarHBondContact CA-O 3.41Å; V185-G235 CarbonylContact O-C 3.59Å; V185-G235 WeakPolarHBondContact O-CA 3.5Å; V185-E236 PolarHBondContact N-O 2.97Å; V185-E236 PolarHBondContact O-N 2.98Å
186V95.6Very high91.4Very high0 Ų061 Ų610%029%0.286CS..EExtended strand (participates in β ladder)trans-113.3126.4178.1-179.80000109.5V175 F177 V184 W202 G203 I206 I214 V233 Q234V175-V186 HydrophobicContact CG1-CG1 4.3Å; V175-V186 HydrophobicContact CG2-CG2 4.42Å; F177-V186 HydrophobicContact CE2-CG2 3.64Å; F177-V186 HydrophobicContact CZ-CG2 3.51Å; V184-V186 HydrophobicContact CG1-CG2 4.11Å; V186-W202 CarbonylContact O-C 3.58Å; V186-W202 WeakPolarHBondContact O-CA 3.33Å; V186-W202 WeakPolarHBondContact O-CB 3.25Å; V186-G203 PolarHBondContact N-O 3.07Å; V186-G203 PolarHBondContact O-N 3.19Å; V186-I206 HydrophobicContact CB-CD1 4Å; V186-I206 HydrophobicContact CG2-CD1 3.78Å; V186-I214 HydrophobicContact CB-CD1 3.49Å; V186-I214 VanDerWaalsContact CB-CD1 3.49Å; V186-I214 HydrophobicContact CG1-CD1 3.25Å; V186-V233 HydrophobicContact CG1-CG1 3.45Å; V186-V233 VanDerWaalsContact CG1-CG1 3.45Å; V186-Q234 CarbonylContact C-O 3.57Å; V186-Q234 WeakPolarHBondContact CA-O 2.88Å
187R95.8Very high91.4Very high124 Ų12461.2 Ų61.247%0.46829%0.292SS..EExtended strand (participates in β ladder)trans-106.5122.1175.8-57.3-179.7-169.2-123.13.5109.1W202 V233 Q234 E236R187-W202 HydrophobicContact CG-CB 4.41Å; R187-V233 CarbonylContact O-C 3.5Å; R187-V233 WeakPolarHBondContact O-CA 3.12Å; R187-Q234 PolarHBondContact N-O 3.44Å; R187-Q234 PolarHBondContact O-N 2.84Å; R187-E236 IonicContact CZ-OE2 3.07Å; R187-E236 IonicContact NE-OE2 3.91Å; R187-E236 PolarHBondContact NE-OE2 2.88Å; R187-E236 IonicContact NH2-OE2 2.8Å; R187-E236 PolarHBondContact NH2-OE2 2.91Å; R187-E236 VanDerWaalsContact NH2-OE2 3.09Å
188A97.3Very high91.5Very high0 Ų063 Ų630%030%0.303CS..EExtended strand (participates in β ladder)trans-111.7131.9175.400000109.7V173 Q200 S201 I214 F232V173-A188 HydrophobicContact CG2-CB 4.21Å; A188-Q200 CarbonylContact O-C 3.55Å; A188-Q200 VanDerWaalsContact O-CA 3.3Å; A188-Q200 WeakPolarHBondContact O-CA 3.47Å; A188-S201 PolarHBondContact N-O 3.24Å; A188-S201 PolarHBondContact O-N 2.9Å; A188-S201 VanDerWaalsContact O-O 3.09Å; A188-I214 HydrophobicContact CB-CG2 4.05Å; A188-F232 CarbonylContact C-O 3.57Å; A188-F232 WeakPolarHBondContact CA-O 3.33Å
189R96.8Very high91.9Very high74 Ų7459.1 Ų59.128%0.27928%0.284SS..EExtended strand (participates in β ladder)trans-134.6134.6-179.9-63.7-174.6-71.4170.8-1.4110.3M191 A199 Q200 L231 F232R189-M191 HydrophobicContact CB-CG 4.25Å; R189-A199 CarbonylContact C-O 3.54Å; R189-A199 WeakPolarHBondContact CA-O 3.22Å; R189-Q200 HydrophobicContact CG-CB 3.86Å; R189-L231 CarbonylContact O-C 3.44Å; R189-F232 HydrophobicContact CB-CB 4.48Å; R189-F232 PolarHBondContact N-O 3.29Å; R189-F232 PolarHBondContact O-N 2.83Å
190V96.9Very high92.5Very high0 Ų059.9 Ų59.90%029%0.287CS..EExtended strand (participates in β ladder)trans-91.7119.8163.5179.10000106.9I165 V198 A199 I216 I219 Y229 K230 L250I165-V190 HydrophobicContact CD1-CG1 4.19Å; V190-V198 PolarHBondContact O-N 3.02Å; V190-A199 HydrophobicContact CB-CB 4.31Å; V190-A199 PolarHBondContact N-O 2.5Å; V190-A199 PolarHBondContact O-N 3.11Å; V190-I216 HydrophobicContact CG2-CD1 3.88Å; V190-I219 HydrophobicContact CG2-CD1 4.09Å; V190-Y229 HydrophobicContact CG1-CD1 4.33Å; V190-K230 CarbonylContact C-O 3.58Å; V190-K230 WeakPolarHBondContact CA-O 3.22Å; V190-L250 HydrophobicContact CG1-CD1 4.05Å; V190-L250 HydrophobicContact CG2-CD1 4.19Å
191M95.3Very high93.2Very high13 Ų1359.4 Ų59.46%0.06428%0.284CS..EExtended strand (participates in β ladder)trans-112.6147.6-178.4-55.917272.200110.4R189 N195 R196 Y229 K230 F232R189-M191 HydrophobicContact CB-CG 4.25Å; M191-N195 HydrophobicContact CE-CB 3.6Å; M191-N195 WeakPolarHBondContact CE-O 3.12Å; M191-R196 CarbonylContact C-O 3.47Å; M191-R196 WeakPolarHBondContact CA-O 3.35Å; M191-Y229 CarbonylContact O-C 3.5Å; M191-Y229 WeakPolarHBondContact O-CA 3.28Å; M191-K230 HydrophobicContact CB-CD 4.45Å; M191-K230 HydrophobicContact CB-CG 3.78Å; M191-K230 PolarHBondContact N-O 3.42Å; M191-K230 PolarHBondContact O-N 3.34Å; M191-F232 HydrophobicContact CG-CB 4.31Å; M191-F232 HydrophobicContact SD-CB 3.5Å; M191-F232 WeakPolarHBondContact SD-CB 3.42Å; M191-F232 HydrophobicContact SD-CD2 4.35Å; M191-F232 HydrophobicContact SD-CG 3.9Å
192D93.6Very high93.8Very high6 Ų655.9 Ų55.93%0.03227%0.271CS..  trans-82.9180169.968.410.7000112.1Q194 N195 R196 V198 Q228 Y229D192-Q194 VanDerWaalsContact CG-OE1 3.28Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 VanDerWaalsContact OD1-C 3.24Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.11Å; D192-Q194 PolarHBondContact OD1-N 2.8Å; D192-Q194 PolarHBondContact OD2-OE1 2.87Å; D192-N195 PolarHBondContact O-N 2.8Å; D192-N195 PolarHBondContact OD1-N 3.33Å; D192-R196 PolarHBondContact N-O 2.88Å; D192-R196 WeakPolarHBondContact OD1-CB 3.44Å; D192-R196 PolarHBondContact OD1-N 3.35Å; D192-R196 IonicContact OD1-NE 3.32Å; D192-R196 IonicContact OD2-CZ 3.44Å; D192-R196 IonicContact OD2-NE 3.89Å; D192-R196 PolarHBondContact OD2-NE 2.92Å; D192-R196 IonicContact OD2-NH2 2.95Å; D192-R196 PolarHBondContact OD2-NH2 2.77Å; D192-V198 HydrophobicContact CB-CG2 4.07Å; D192-Q228 CarbonylContact C-O 3.44Å; D192-Y229 HydrophobicContact CB-CD1 4.47Å; D192-Y229 HydrophobicContact CB-CE1 4.23Å
193A90.9Very high94.2Very high59 Ų5952.5 Ų52.549%0.48826%0.259SS..THydrogen-bonded Turntrans-60.5-23.4176.900000113.4N195 Q228A193-N195 VanDerWaalsContact C-N 3.32Å; A193-Q228 PolarHBondContact N-O 3.4Å; A193-Q228 VanDerWaalsContact N-O 3.11Å
194Q90.9Very high94.3Very high111 Ų11156.3 Ų56.352%0.51927%0.273SS..THydrogen-bonded Turntrans-9213176.2-59.880.223.200113D192 R196D192-Q194 VanDerWaalsContact CG-OE1 3.28Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 VanDerWaalsContact OD1-C 3.24Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.11Å; D192-Q194 PolarHBondContact OD1-N 2.8Å; D192-Q194 PolarHBondContact OD2-OE1 2.87Å; Q194-R196 HydrophobicContact CB-CG 4.29Å; Q194-R196 PolarHBondContact O-N 2.87Å
195N92.2Very high94.1Very high97 Ų9760.3 Ų60.352%0.51930%0.295SS..  trans61.620.8-177.5-63.9-35.3000115.1M191 D192 A193 K230M191-N195 HydrophobicContact CE-CB 3.6Å; M191-N195 WeakPolarHBondContact CE-O 3.12Å; D192-N195 PolarHBondContact O-N 2.8Å; D192-N195 PolarHBondContact OD1-N 3.33Å; A193-N195 VanDerWaalsContact C-N 3.32Å; N195-K230 WeakPolarHBondContact OD1-CE 3.42Å; N195-K230 PolarHBondContact OD1-NZ 2.8Å
196R93Very high94Very high150 Ų15059.5 Ų59.557%0.56629%0.29SS*.  trans-84.8136.9174.4-56.6179.2-63179.90.7109.1M191 D192 Q194 V198M191-R196 CarbonylContact C-O 3.47Å; M191-R196 WeakPolarHBondContact CA-O 3.35Å; D192-R196 PolarHBondContact N-O 2.88Å; D192-R196 WeakPolarHBondContact OD1-CB 3.44Å; D192-R196 PolarHBondContact OD1-N 3.35Å; D192-R196 IonicContact OD1-NE 3.32Å; D192-R196 IonicContact OD2-CZ 3.44Å; D192-R196 IonicContact OD2-NE 3.89Å; D192-R196 PolarHBondContact OD2-NE 2.92Å; D192-R196 IonicContact OD2-NH2 2.95Å; D192-R196 PolarHBondContact OD2-NH2 2.77Å; Q194-R196 HydrophobicContact CB-CG 4.29Å; Q194-R196 PolarHBondContact O-N 2.87Å; R196-V198 PolarHBondContact O-N 3.21Å
197S93.3Very high93.7Very high47 Ų4766.7 Ų66.733%0.32932%0.317SS..EExtended strand (participates in β ladder)trans-74.9116.3176.5-167.10000109.5A199S197-A199 PolarHBondContact OG-O 3Å
198V93.5Very high93.4Very high41 Ų4162.9 Ų62.925%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-89.2-38.9178.4171.80000110.7V190 D192 R196 P220 L223 Y229V190-V198 PolarHBondContact O-N 3.02Å; D192-V198 HydrophobicContact CB-CG2 4.07Å; R196-V198 PolarHBondContact O-N 3.21Å; V198-P220 HydrophobicContact CG1-CB 4.46Å; V198-P220 HydrophobicContact CG1-CG 3.72Å; V198-P220 WeakPolarHBondContact O-CG 3.35Å; V198-L223 HydrophobicContact CG1-CD2 3.38Å; V198-Y229 HydrophobicContact CG2-CE1 4.27Å
199A95.2Very high92.9Very high11 Ų1166 Ų669%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-144.6148.6174.600000109.2R189 V190 S197 I216 I219R189-A199 CarbonylContact C-O 3.54Å; R189-A199 WeakPolarHBondContact CA-O 3.22Å; V190-A199 HydrophobicContact CB-CB 4.31Å; V190-A199 PolarHBondContact N-O 2.5Å; V190-A199 PolarHBondContact O-N 3.11Å; S197-A199 PolarHBondContact OG-O 3Å; A199-I216 HydrophobicContact CB-CG2 3.56Å; A199-I219 HydrophobicContact CB-CD1 4.16Å
200Q95.9Very high92.6Very high123 Ų12368.6 Ų68.658%0.57536%0.357SS*.EExtended strand (participates in β ladder)trans-150.5151.4-178.465.4-171.3-57.300111.5A188 R189A188-Q200 CarbonylContact O-C 3.55Å; A188-Q200 VanDerWaalsContact O-CA 3.3Å; A188-Q200 WeakPolarHBondContact O-CA 3.47Å; R189-Q200 HydrophobicContact CG-CB 3.86Å
201S97Very high92.3Very high26 Ų2673.8 Ų73.818%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-154.6168.9171.9-172.80000109.9A188 W215A188-S201 PolarHBondContact N-O 3.24Å; A188-S201 PolarHBondContact O-N 2.9Å; A188-S201 VanDerWaalsContact O-O 3.09Å; S201-W215 WeakPolarHBondContact CB-O 2.95Å; S201-W215 PolarHBondContact OG-O 3.33Å
202W94.8Very high92.3Very high146 Ų14674 Ų7455%0.55339%0.387SS*.EExtended strand (participates in β ladder)trans-145.5149.2177.860.175.9000111.9V186 R187 H204V186-W202 CarbonylContact O-C 3.58Å; V186-W202 WeakPolarHBondContact O-CA 3.33Å; V186-W202 WeakPolarHBondContact O-CB 3.25Å; R187-W202 HydrophobicContact CG-CB 4.41Å; W202-H204 AromaticContact CD1-CD2 3.39Å; W202-H204 AromaticContact CD1-CE1 3.51Å; W202-H204 AromaticContact CD1-NE2 2.94Å; W202-H204 AromaticContact NE1-CD2 3.54Å; W202-H204 AromaticContact NE1-CE1 3.88Å; W202-H204 AromaticContact NE1-NE2 2.96Å; W202-H204 PolarHBondContact NE1-NE2 3.43Å
203G93.5Very high92.4Very high14 Ų1478.9 Ų78.914%0.14441%0.41CS..EExtended strand (participates in β ladder)trans-111.2140.3168.500000110.6V185 V186V185-G203 CarbonylContact C-O 3.59Å; V185-G203 WeakPolarHBondContact CA-O 3.41Å; V186-G203 PolarHBondContact N-O 3.07Å; V186-G203 PolarHBondContact O-N 3.19Å
204H91.4Very high92.6Very high120 Ų12076.2 Ų76.256%0.55639%0.387SS*.EExtended strand (participates in β ladder)trans-112.9157.8179.5-68.4-60.6000111.6W202 I206W202-H204 AromaticContact CD1-CD2 3.39Å; W202-H204 AromaticContact CD1-CE1 3.51Å; W202-H204 AromaticContact CD1-NE2 2.94Å; W202-H204 AromaticContact NE1-CD2 3.54Å; W202-H204 AromaticContact NE1-CE1 3.88Å; W202-H204 AromaticContact NE1-NE2 2.96Å; W202-H204 PolarHBondContact NE1-NE2 3.43Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.96Å
205D90Very high92.9Very high84 Ų8476.7 Ų76.745%0.44938%0.384SS..EExtended strand (participates in β ladder)trans48.742.7176.2-167.528.9000113.8P183 R207P183-D205 WeakPolarHBondContact CB-OD1 3.3Å; P183-D205 WeakPolarHBondContact CG-OD1 3.39Å; D205-R207 PolarHBondContact O-N 2.65Å; D205-R207 IonicContact OD1-NE 2.72Å; D205-R207 PolarHBondContact OD1-NE 2.79Å; D205-R207 IonicContact OD1-NH2 2.74Å; D205-R207 IonicContact OD2-NE 2.85Å; D205-R207 IonicContact OD2-NH2 3.41Å
206I91.3Very high93.1Very high4 Ų472.3 Ų72.32%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-80.6118.9178-56.8170000108.6V175 F177 V184 V186 H204V175-I206 HydrophobicContact CG2-CD1 3.86Å; V175-I206 HydrophobicContact CG2-CG2 4.5Å; F177-I206 HydrophobicContact CD2-CB 4.36Å; F177-I206 HydrophobicContact CD2-CG2 3.5Å; F177-I206 HydrophobicContact CE2-CB 4.19Å; F177-I206 HydrophobicContact CE2-CG2 3.69Å; V184-I206 PolarHBondContact N-O 2.94Å; V184-I206 WeakPolarHBondContact O-CB 3.19Å; V184-I206 PolarHBondContact O-N 2.72Å; V186-I206 HydrophobicContact CB-CD1 4Å; V186-I206 HydrophobicContact CG2-CD1 3.78Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.96Å
207R90.2Very high93Very high151 Ų15171.6 Ų71.657%0.5737%0.368SS*.PPolyproline II helixtrans-101.6155.9-178.7-61.9-174.6-173.1-1751.7111.5D205 K210D205-R207 PolarHBondContact O-N 2.65Å; D205-R207 IonicContact OD1-NE 2.72Å; D205-R207 PolarHBondContact OD1-NE 2.79Å; D205-R207 IonicContact OD1-NH2 2.74Å; D205-R207 IonicContact OD2-NE 2.85Å; D205-R207 IonicContact OD2-NH2 3.41Å; R207-K210 PolarHBondContact O-N 2.79Å
208A88.5Confident93Very high43 Ų4375.1 Ų75.136%0.35538%0.377SS..THydrogen-bonded Turntrans-60.3143.6175.700000111.9F177 K210F177-A208 HydrophobicContact CB-CB 4.47Å; F177-A208 CarbonylContact O-C 3.59Å; F177-A208 WeakPolarHBondContact O-CA 3.34Å; A208-K210 PolarHBondContact O-N 3.01Å
209G87.6Confident93Very high65 Ų6573.3 Ų73.367%0.6737%0.366SS*.THydrogen-bonded Turntrans77-7.9-177.900000115.2F177F177-G209 PolarHBondContact O-N 3.07Å
210K88.8Confident92.8Very high130 Ų13074.7 Ų74.757%0.56537%0.374SS*.  trans-97.5123.3175.7-174.9179.4175.6-174.10110.3R207 A208 S212R207-K210 PolarHBondContact O-N 2.79Å; A208-K210 PolarHBondContact O-N 3.01Å; K210-S212 PolarHBondContact O-N 3.27Å
211L92.2Very high92.4Very high108 Ų10870.9 Ų70.957%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-70.8125.2168.4-167.169.4000109.2V174 N176V174-L211 HydrophobicContact CG1-CD1 3.34Å; V174-L211 HydrophobicContact CG1-CD2 4.18Å; V174-L211 HydrophobicContact CG1-CG 3.76Å; N176-L211 HydrophobicContact CB-CD1 3.97Å
212S94.1Very high91.8Very high18 Ų1876.1 Ų76.113%0.12639%0.386CS..EExtended strand (participates in β ladder)trans-126139.2179.7-70.10000110.6V175 K210V175-S212 PolarHBondContact N-O 2.77Å; V175-S212 PolarHBondContact O-N 2.78Å; K210-S212 PolarHBondContact O-N 3.27Å
213E95.4Very high91.4Very high109 Ų10970 Ų7051%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-107.4132.4177.4-60.4-180173.900109.7V172 V174 W215V172-E213 HydrophobicContact CG2-CB 3.95Å; V172-E213 HydrophobicContact CG2-CG 4.37Å; V174-E213 HydrophobicContact CG2-CG 4.31Å; E213-W215 WeakPolarHBondContact OE2-CZ2 3.32Å; E213-W215 PolarHBondContact OE2-NE1 3.46Å
214I96.2Very high91.1Very high3 Ų371.9 Ų71.92%0.01537%0.373CS..EExtended strand (participates in β ladder)trans-111.1108.4176.9-54.5170.7000106.8V172 V173 V175 V186 A188V172-I214 WeakPolarHBondContact CA-O 3.3Å; V173-I214 HydrophobicContact CB-CB 4.35Å; V173-I214 PolarHBondContact N-O 2.8Å; V173-I214 PolarHBondContact O-N 3.2Å; V175-I214 HydrophobicContact CG1-CD1 4.04Å; V175-I214 HydrophobicContact CG2-CD1 4.13Å; V186-I214 HydrophobicContact CB-CD1 3.49Å; V186-I214 VanDerWaalsContact CB-CD1 3.49Å; V186-I214 HydrophobicContact CG1-CD1 3.25Å; A188-I214 HydrophobicContact CB-CG2 4.05Å
215W96.3Very high90.7Very high121 Ų12169.8 Ų69.846%0.45837%0.37SS..EExtended strand (participates in β ladder)trans-90.9119.2-177.4-70.380.7000109.9P170 V172 S201 E213P170-W215 HydrophobicContact CB-CE3 4.12Å; P170-W215 HydrophobicContact CB-CZ3 4.18Å; P170-W215 HydrophobicContact CG-CZ3 4.35Å; V172-W215 HydrophobicContact CB-CD2 4.35Å; V172-W215 HydrophobicContact CB-CE3 4.37Å; V172-W215 HydrophobicContact CB-CZ3 4.5Å; V172-W215 HydrophobicContact CG2-CD2 4.2Å; V172-W215 HydrophobicContact CG2-CZ2 4.25Å; S201-W215 WeakPolarHBondContact CB-O 2.95Å; S201-W215 PolarHBondContact OG-O 3.33Å; E213-W215 WeakPolarHBondContact OE2-CZ2 3.32Å; E213-W215 PolarHBondContact OE2-NE1 3.46Å
216I96.4Very high90.5Very high4 Ų473.5 Ų73.52%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-90.1104.4161.4-58.3-179000105.7P170 Y171 V190 A199 K218 I219P170-I216 WeakPolarHBondContact CA-O 3.29Å; Y171-I216 HydrophobicContact CD1-CD1 4.05Å; Y171-I216 PolarHBondContact N-O 2.61Å; Y171-I216 WeakPolarHBondContact O-CB 3.46Å; Y171-I216 PolarHBondContact O-N 2.8Å; V190-I216 HydrophobicContact CG2-CD1 3.88Å; A199-I216 HydrophobicContact CB-CG2 3.56Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.07Å; I216-I219 HydrophobicContact CG2-CD1 4.15Å
217D92.3Very high90.3Very high136 Ų13675.7 Ų75.773%0.72740%0.396SS*.  trans-54.8-40.7-166.8-63.2-27.2000113.7P170P170-D217 WeakPolarHBondContact CA-O 3.27Å; P170-D217 WeakPolarHBondContact CB-O 3.32Å
218K91.5Very high90.4Very high121 Ų12175.5 Ų75.553%0.52640%0.401SS..  trans-151.6123-177-167.7173.8-176.9-178.50111.6N168 I216N168-K218 WeakPolarHBondContact OD1-CE 3.35Å; N168-K218 PolarHBondContact OD1-NZ 2.95Å; N168-K218 VanDerWaalsContact OD1-NZ 3.12Å; I216-K218 VanDerWaalsContact C-N 3.27Å; I216-K218 PolarHBondContact O-N 3.07Å
219I93.9Very high90.7Very high2 Ų273.8 Ų73.81%0.0139%0.385CS..  trans-72.6129.7164.1-59.8-57.4000108.7R166 N168 L169 V190 A199 I216 L223R166-I219 WeakPolarHBondContact O-CB 3.07Å; N168-I219 WeakPolarHBondContact CA-O 3.48Å; N168-I219 PolarHBondContact N-O 3.03Å; L169-I219 WeakPolarHBondContact O-CG1 3.37Å; L169-I219 PolarHBondContact O-N 3.21Å; V190-I219 HydrophobicContact CG2-CD1 4.09Å; A199-I219 HydrophobicContact CB-CD1 4.16Å; I216-I219 HydrophobicContact CG2-CD1 4.15Å; I219-L223 HydrophobicContact CG2-CD1 3.45Å; I219-L223 VanDerWaalsContact CG2-CD1 3.45Å; I219-L223 HydrophobicContact CG2-CG 4.46Å
220P92Very high91.2Very high40 Ų4073.2 Ų73.226%0.2636%0.364SS..  trans-55.4146.4178.9-27.636.1000112.5V198 L223V198-P220 HydrophobicContact CG1-CB 4.46Å; V198-P220 HydrophobicContact CG1-CG 3.72Å; V198-P220 WeakPolarHBondContact O-CG 3.35Å; P220-L223 HydrophobicContact CB-CD2 4.26Å; P220-L223 WeakPolarHBondContact O-CG 3.11Å
221P86.6Confident91.6Very high43 Ų4367.1 Ų67.128%0.27934%0.338SS..SBendtrans-69.5-39.817724.2-31.1000112.7L223P221-L223 PolarHBondContact O-N 2.86Å
222N84.8Confident91.8Very high137 Ų13763.4 Ų63.473%0.73332%0.318SS*.  trans-82.352.1-169.9-59.2-0.6000112.5
223L86.7Confident91.9Very high17 Ų1762.6 Ų62.69%0.08931%0.312CS..  trans-90.6141.7172.9-62.8-167.8000110.1I165 V198 I219 P220 P221 P225 Y229 F252I165-L223 HydrophobicContact CD1-CD1 4.27Å; V198-L223 HydrophobicContact CG1-CD2 3.38Å; I219-L223 HydrophobicContact CG2-CD1 3.45Å; I219-L223 VanDerWaalsContact CG2-CD1 3.45Å; I219-L223 HydrophobicContact CG2-CG 4.46Å; P220-L223 HydrophobicContact CB-CD2 4.26Å; P220-L223 WeakPolarHBondContact O-CG 3.11Å; P221-L223 PolarHBondContact O-N 2.86Å; L223-P225 WeakPolarHBondContact O-CD 3.26Å; L223-Y229 WeakPolarHBondContact CA-OH 3.33Å; L223-Y229 HydrophobicContact CB-CE2 4.33Å; L223-Y229 VanDerWaalsContact CB-OH 3.28Å; L223-Y229 WeakPolarHBondContact CB-OH 3.14Å; L223-Y229 HydrophobicContact CD1-CE1 4.22Å; L223-Y229 HydrophobicContact CD1-CE2 4.5Å; L223-Y229 HydrophobicContact CD2-CE1 4.02Å; L223-F252 HydrophobicContact CB-CD2 3.99Å; L223-F252 HydrophobicContact CB-CE2 3.48Å; L223-F252 VanDerWaalsContact CB-CE2 3.48Å; L223-F252 HydrophobicContact CB-CZ 3.77Å; L223-F252 HydrophobicContact CD1-CD2 3.82Å; L223-F252 HydrophobicContact CD1-CE2 3.71Å; L223-F252 HydrophobicContact CG-CE2 4.09Å
224T87.4Confident91.9Very high53 Ų5358.5 Ų58.533%0.32529%0.293SS..  trans-87.7120.8-178.5-570000108.7E226 M227 Y229T224-E226 WeakPolarHBondContact CG2-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.87Å; T224-M227 HydrophobicContact CG2-CE 4.32Å; T224-M227 HydrophobicContact CG2-CG 4.03Å; T224-M227 PolarHBondContact O-N 3.03Å; T224-M227 WeakPolarHBondContact OG1-CE 3.47Å; T224-Y229 PolarHBondContact N-OH 3.08Å
225P83.5Confident91.7Very high76 Ų7658.4 Ų58.449%0.49429%0.292SS..THydrogen-bonded Turntrans-60.4-29.8-176-23.132.6000114.3L223 M227 F252L223-P225 WeakPolarHBondContact O-CD 3.26Å; P225-M227 VanDerWaalsContact C-N 3.3Å; P225-F252 HydrophobicContact CB-CD1 4.25Å; P225-F252 HydrophobicContact CB-CE1 4.23Å; P225-F252 HydrophobicContact CG-CE1 4.09Å
226E85Confident91.5Very high162 Ų16254.1 Ų54.176%0.75728%0.277SS*.THydrogen-bonded Turntrans-80.6-10179.5-49.986.5-171.300113.5T224T224-E226 WeakPolarHBondContact CG2-OE2 3.3Å; T224-E226 PolarHBondContact O-N 2.87Å
227M87.8Confident91.1Very high51 Ų5154.4 Ų54.425%0.25128%0.279SS..SBendtrans-81.5140.5-180-75.8-156-81.600111.9T224 P225 Y229T224-M227 HydrophobicContact CG2-CE 4.32Å; T224-M227 HydrophobicContact CG2-CG 4.03Å; T224-M227 PolarHBondContact O-N 3.03Å; T224-M227 WeakPolarHBondContact OG1-CE 3.47Å; P225-M227 VanDerWaalsContact C-N 3.3Å; M227-Y229 HydrophobicContact CB-CE2 4.1Å; M227-Y229 WeakPolarHBondContact O-CD2 3.35Å; M227-Y229 WeakPolarHBondContact O-CE2 3.29Å
228Q91.8Very high90.7Very high147 Ų14752.9 Ų52.969%0.68728%0.275SS*.  trans-81.5132.5170.3-66.4-174.6-1.600110.1D192 A193D192-Q228 CarbonylContact C-O 3.44Å; A193-Q228 PolarHBondContact N-O 3.4Å; A193-Q228 VanDerWaalsContact N-O 3.11Å
229Y95.6Very high90.4Very high6 Ų651.2 Ų51.22%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-110.5152.6175.9-66.2-80.7000110.3I165 V190 M191 D192 V198 L223 T224 M227 L250 F252I165-Y229 HydrophobicContact CD1-CD1 4.35Å; I165-Y229 HydrophobicContact CD1-CD2 4.02Å; I165-Y229 HydrophobicContact CD1-CG 3.77Å; V190-Y229 HydrophobicContact CG1-CD1 4.33Å; M191-Y229 CarbonylContact O-C 3.5Å; M191-Y229 WeakPolarHBondContact O-CA 3.28Å; D192-Y229 HydrophobicContact CB-CD1 4.47Å; D192-Y229 HydrophobicContact CB-CE1 4.23Å; V198-Y229 HydrophobicContact CG2-CE1 4.27Å; L223-Y229 WeakPolarHBondContact CA-OH 3.33Å; L223-Y229 HydrophobicContact CB-CE2 4.33Å; L223-Y229 VanDerWaalsContact CB-OH 3.28Å; L223-Y229 WeakPolarHBondContact CB-OH 3.14Å; L223-Y229 HydrophobicContact CD1-CE1 4.22Å; L223-Y229 HydrophobicContact CD1-CE2 4.5Å; L223-Y229 HydrophobicContact CD2-CE1 4.02Å; T224-Y229 PolarHBondContact N-OH 3.08Å; M227-Y229 HydrophobicContact CB-CE2 4.1Å; M227-Y229 WeakPolarHBondContact O-CD2 3.35Å; M227-Y229 WeakPolarHBondContact O-CE2 3.29Å; Y229-L250 PolarHBondContact O-N 3.26Å; Y229-F252 HydrophobicContact CD2-CB 3.82Å; Y229-F252 HydrophobicContact CD2-CG 4.48Å; Y229-F252 HydrophobicContact CE2-CB 3.99Å; Y229-F252 HydrophobicContact CE2-CD2 4.42Å; Y229-F252 HydrophobicContact CE2-CG 4.21Å
230K96.1Very high89.9Confident53 Ų5353.5 Ų53.523%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-137.4142.2174.665.5-178.7-178.81750111.9V190 M191 N195 A248V190-K230 CarbonylContact C-O 3.58Å; V190-K230 WeakPolarHBondContact CA-O 3.22Å; M191-K230 HydrophobicContact CB-CD 4.45Å; M191-K230 HydrophobicContact CB-CG 3.78Å; M191-K230 PolarHBondContact N-O 3.42Å; M191-K230 PolarHBondContact O-N 3.34Å; N195-K230 WeakPolarHBondContact OD1-CE 3.42Å; N195-K230 PolarHBondContact OD1-NZ 2.8Å; K230-A248 CarbonylContact C-O 3.58Å; K230-A248 WeakPolarHBondContact CA-O 3.09Å; K230-A248 WeakPolarHBondContact CB-O 3.39Å
231L97.6Very high89.6Confident2 Ų256.4 Ų56.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-83.4130.4166.1-177.364.4000107.9A161 Y171 V173 R189 V233 S247 A248 L250A161-L231 HydrophobicContact CB-CD2 3.64Å; Y171-L231 HydrophobicContact CE1-CD1 3.89Å; Y171-L231 HydrophobicContact CE1-CD2 4.17Å; V173-L231 HydrophobicContact CG2-CD1 4.02Å; V173-L231 HydrophobicContact CG2-CD2 3.9Å; R189-L231 CarbonylContact O-C 3.44Å; L231-V233 HydrophobicContact CD1-CG2 4.22Å; L231-V233 HydrophobicContact CD2-CG2 3.82Å; L231-V233 HydrophobicContact CG-CG2 3.75Å; L231-S247 CarbonylContact O-C 3.52Å; L231-S247 WeakPolarHBondContact O-CA 3.4Å; L231-S247 WeakPolarHBondContact O-CB 3.48Å; L231-A248 PolarHBondContact N-O 3.11Å; L231-A248 PolarHBondContact O-N 3.3Å; L231-L250 HydrophobicContact CB-CD1 3.89Å; L231-L250 HydrophobicContact CB-CD2 4.09Å; L231-L250 HydrophobicContact CB-CG 4.04Å
232F96.8Very high89.7Confident31 Ų3157.2 Ų57.214%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-120121.6170.8-179.5-88.2000108.9A188 R189 M191 Q234 Q245 Q246A188-F232 CarbonylContact C-O 3.57Å; A188-F232 WeakPolarHBondContact CA-O 3.33Å; R189-F232 HydrophobicContact CB-CB 4.48Å; R189-F232 PolarHBondContact N-O 3.29Å; R189-F232 PolarHBondContact O-N 2.83Å; M191-F232 HydrophobicContact CG-CB 4.31Å; M191-F232 HydrophobicContact SD-CB 3.5Å; M191-F232 WeakPolarHBondContact SD-CB 3.42Å; M191-F232 HydrophobicContact SD-CD2 4.35Å; M191-F232 HydrophobicContact SD-CG 3.9Å; F232-Q234 HydrophobicContact CE1-CB 3.75Å; F232-Q234 HydrophobicContact CZ-CB 4.37Å; F232-Q245 HydrophobicContact CE2-CB 4.32Å; F232-Q245 HydrophobicContact CZ-CB 4.09Å; F232-Q245 HydrophobicContact CZ-CG 4.04Å; F232-Q246 WeakPolarHBondContact CA-O 3.39Å
233V96.6Very high89.9Confident1 Ų151.4 Ų51.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-122.1128.8-179.9-168.90000109.3I159 V173 V186 R187 L231 F244 Q246I159-V233 HydrophobicContact CD1-CB 4.29Å; I159-V233 HydrophobicContact CD1-CG1 4.11Å; I159-V233 HydrophobicContact CG2-CG2 4.38Å; V173-V233 HydrophobicContact CG1-CG2 4.28Å; V186-V233 HydrophobicContact CG1-CG1 3.45Å; V186-V233 VanDerWaalsContact CG1-CG1 3.45Å; R187-V233 CarbonylContact O-C 3.5Å; R187-V233 WeakPolarHBondContact O-CA 3.12Å; L231-V233 HydrophobicContact CD1-CG2 4.22Å; L231-V233 HydrophobicContact CD2-CG2 3.82Å; L231-V233 HydrophobicContact CG-CG2 3.75Å; V233-F244 HydrophobicContact CB-CE2 4.42Å; V233-F244 HydrophobicContact CG1-CE2 3.98Å; V233-F244 HydrophobicContact CG1-CZ 4.39Å; V233-Q246 PolarHBondContact N-O 2.64Å; V233-Q246 PolarHBondContact O-N 2.68Å
234Q94.1Very high90Very high23 Ų2351.1 Ų51.111%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-128.4125-179.7171.5170.3-1.500110.1V186 R187 F232 E236 V242 F244 Q245V186-Q234 CarbonylContact C-O 3.57Å; V186-Q234 WeakPolarHBondContact CA-O 2.88Å; R187-Q234 PolarHBondContact N-O 3.44Å; R187-Q234 PolarHBondContact O-N 2.84Å; F232-Q234 HydrophobicContact CE1-CB 3.75Å; F232-Q234 HydrophobicContact CZ-CB 4.37Å; Q234-E236 HydrophobicContact CG-CG 3.99Å; Q234-E236 PolarHBondContact NE2-OE1 2.82Å; Q234-V242 HydrophobicContact CG-CG1 4.39Å; Q234-F244 WeakPolarHBondContact CA-O 3.48Å; Q234-Q245 HydrophobicContact CB-CG 4.19Å; Q234-Q245 HydrophobicContact CG-CG 3.93Å
235G93.3Very high90.3Very high0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-101.4127173.400000110.9V185 L243 F244V185-G235 CarbonylContact O-C 3.59Å; V185-G235 WeakPolarHBondContact O-CA 3.5Å; G235-L243 PolarHBondContact O-N 3.28Å; G235-F244 PolarHBondContact N-O 3.45Å; G235-F244 VanDerWaalsContact N-O 3.07Å; G235-F244 PolarHBondContact O-N 2.93Å
236E91.5Very high90.7Very high31 Ų3151.8 Ų51.815%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-125.1136.4178.7-58.6179.3153.500109.2V184 V185 R187 Q234 R241 V242V184-E236 CarbonylContact C-O 3.54Å; V184-E236 WeakPolarHBondContact CA-O 3.46Å; V184-E236 WeakPolarHBondContact CG1-O 3.34Å; V185-E236 PolarHBondContact N-O 2.97Å; V185-E236 PolarHBondContact O-N 2.98Å; R187-E236 IonicContact CZ-OE2 3.07Å; R187-E236 IonicContact NE-OE2 3.91Å; R187-E236 PolarHBondContact NE-OE2 2.88Å; R187-E236 IonicContact NH2-OE2 2.8Å; R187-E236 PolarHBondContact NH2-OE2 2.91Å; R187-E236 VanDerWaalsContact NH2-OE2 3.09Å; Q234-E236 HydrophobicContact CG-CG 3.99Å; Q234-E236 PolarHBondContact NE2-OE1 2.82Å; E236-R241 WeakPolarHBondContact CA-O 3.31Å; E236-V242 HydrophobicContact CG-CG2 4.32Å
237T88.2Confident91.2Very high10 Ų1047.1 Ų47.16%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-64.8160.7165.252.90000110.6E182 S239 G240 R241 L243E182-T237 HydrophobicContact CB-CG2 4.39Å; E182-T237 WeakPolarHBondContact OE2-CB 3.25Å; T237-S239 WeakPolarHBondContact CB-OG 3.46Å; T237-S239 PolarHBondContact O-N 2.95Å; T237-S239 PolarHBondContact OG1-OG 3.19Å; T237-G240 PolarHBondContact O-N 3.03Å; T237-R241 PolarHBondContact N-O 2.85Å; T237-R241 WeakPolarHBondContact OG1-CA 3.17Å; T237-R241 VanDerWaalsContact OG1-CB 3.29Å; T237-R241 WeakPolarHBondContact OG1-CB 3.3Å; T237-R241 PolarHBondContact OG1-N 3.09Å; T237-R241 PolarHBondContact OG1-O 3.41Å; T237-L243 HydrophobicContact CG2-CD1 3.95Å; T237-L243 HydrophobicContact CG2-CD2 3.74Å; T237-L243 HydrophobicContact CG2-CG 3.85Å
238V84.6Confident91.6Very high105 Ų10545.7 Ų45.764%0.63625%0.253SS*.THydrogen-bonded Turntrans-58.6-28.5172-173.10000111.6P183 G240P183-V238 HydrophobicContact CB-CG2 4.02Å; P183-V238 HydrophobicContact CG-CG2 4.49Å; P183-V238 PolarHBondContact O-N 2.86Å; V238-G240 PolarHBondContact O-N 2.95Å
239S84.1Confident91.7Very high85 Ų8544.8 Ų44.859%0.59425%0.253SS*.THydrogen-bonded Turntrans-73.9-2174.853.50000114.2E182 T237E182-S239 PolarHBondContact OE2-OG 3.41Å; T237-S239 WeakPolarHBondContact CB-OG 3.46Å; T237-S239 PolarHBondContact O-N 2.95Å; T237-S239 PolarHBondContact OG1-OG 3.19Å
240G84Confident91.7Very high51 Ų5145.2 Ų45.253%0.52626%0.256SS..SBendtrans86.51.3177.300000114.6T237 V238 V242T237-G240 PolarHBondContact O-N 3.03Å; V238-G240 PolarHBondContact O-N 2.95Å; G240-V242 PolarHBondContact O-N 2.99Å
241R86.4Confident91.6Very high100 Ų10046.7 Ų46.738%0.37726%0.264SS..  trans-73.5123.7173.4180-178.9178.3-129.20.4110.1N152 E236 T237 L243N152-R241 PolarHBondContact OD1-NH2 2.92Å; E236-R241 WeakPolarHBondContact CA-O 3.31Å; T237-R241 PolarHBondContact N-O 2.85Å; T237-R241 WeakPolarHBondContact OG1-CA 3.17Å; T237-R241 VanDerWaalsContact OG1-CB 3.29Å; T237-R241 WeakPolarHBondContact OG1-CB 3.3Å; T237-R241 PolarHBondContact OG1-N 3.09Å; T237-R241 PolarHBondContact OG1-O 3.41Å; R241-L243 PolarHBondContact O-N 2.95Å
242V88.7Confident91.3Very high60 Ų6048 Ų4836%0.36427%0.269SS..EExtended strand (participates in β ladder)trans-71.3119.8173.9-177.50000109.3Q234 E236 G240 Q245Q234-V242 HydrophobicContact CG-CG1 4.39Å; E236-V242 HydrophobicContact CG-CG2 4.32Å; G240-V242 PolarHBondContact O-N 2.99Å; V242-Q245 HydrophobicContact CG1-CG 3.83Å
243L87.9Confident91Very high15 Ų1548.2 Ų48.28%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-84.8-39.6176.1-64.7-179.6000111.6T154 F177 V184 G235 T237 R241T154-L243 WeakPolarHBondContact CB-O 3.27Å; T154-L243 WeakPolarHBondContact CG2-O 3.35Å; F177-L243 HydrophobicContact CE1-CD1 4.49Å; V184-L243 HydrophobicContact CB-CD1 4.34Å; V184-L243 HydrophobicContact CG1-CD1 3.86Å; V184-L243 HydrophobicContact CG2-CD1 3.48Å; V184-L243 VanDerWaalsContact CG2-CD1 3.48Å; G235-L243 PolarHBondContact O-N 3.28Å; T237-L243 HydrophobicContact CG2-CD1 3.95Å; T237-L243 HydrophobicContact CG2-CD2 3.74Å; T237-L243 HydrophobicContact CG2-CG 3.85Å; R241-L243 PolarHBondContact O-N 2.95Å
244F89.6Confident90.6Very high12 Ų1251.8 Ų51.85%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-158.8159.4177.166.9-97.3000112Y157 I159 F177 V233 Q234 G235 Q246Y157-F244 HydrophobicContact CD1-CB 4.31Å; Y157-F244 AromaticContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CD1 3.5Å; Y157-F244 VanDerWaalsContact CD1-CD1 3.5Å; Y157-F244 HydrophobicContact CD1-CE1 4.04Å; Y157-F244 HydrophobicContact CD1-CG 4.05Å; Y157-F244 HydrophobicContact CD2-CD1 4.16Å; Y157-F244 HydrophobicContact CD2-CE1 4.16Å; Y157-F244 HydrophobicContact CD2-CG 4.4Å; Y157-F244 HydrophobicContact CD2-CZ 4.45Å; Y157-F244 HydrophobicContact CE1-CB 3.45Å; Y157-F244 VanDerWaalsContact CE1-CB 3.45Å; Y157-F244 AromaticContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CD1 3.53Å; Y157-F244 HydrophobicContact CE1-CE1 4.41Å; Y157-F244 AromaticContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE1-CG 3.59Å; Y157-F244 HydrophobicContact CE2-CB 4.36Å; Y157-F244 HydrophobicContact CE2-CD1 4.16Å; Y157-F244 HydrophobicContact CE2-CD2 4.1Å; Y157-F244 HydrophobicContact CE2-CE1 4.49Å; Y157-F244 HydrophobicContact CE2-CE2 4.49Å; Y157-F244 AromaticContact CE2-CG 3.95Å; Y157-F244 HydrophobicContact CE2-CG 3.95Å; Y157-F244 AromaticContact CG-CD1 3.84Å; Y157-F244 HydrophobicContact CG-CD1 3.84Å; Y157-F244 AromaticContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CE1 3.93Å; Y157-F244 HydrophobicContact CG-CG 4.45Å; Y157-F244 VanDerWaalsContact CZ-CB 3.47Å; Y157-F244 AromaticContact CZ-CD1 3.86Å; Y157-F244 AromaticContact CZ-CG 3.52Å; Y157-F244 WeakPolarHBondContact OH-CB 3.48Å; I159-F244 HydrophobicContact CD1-CD2 4.11Å; I159-F244 HydrophobicContact CD1-CE2 3.4Å; I159-F244 HydrophobicContact CD1-CZ 3.72Å; I159-F244 HydrophobicContact CG1-CZ 4.48Å; F177-F244 HydrophobicContact CE1-CD1 4.37Å; F177-F244 AromaticContact CE1-CE1 3.6Å; F177-F244 HydrophobicContact CE1-CE1 3.6Å; F177-F244 AromaticContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CE1 3.72Å; F177-F244 HydrophobicContact CZ-CZ 4.26Å; V233-F244 HydrophobicContact CB-CE2 4.42Å; V233-F244 HydrophobicContact CG1-CE2 3.98Å; V233-F244 HydrophobicContact CG1-CZ 4.39Å; Q234-F244 WeakPolarHBondContact CA-O 3.48Å; G235-F244 PolarHBondContact N-O 3.45Å; G235-F244 VanDerWaalsContact N-O 3.07Å; G235-F244 PolarHBondContact O-N 2.93Å; F244-Q246 HydrophobicContact CD2-CG 4.14Å
245Q93Very high90.3Very high105 Ų10555.4 Ų55.449%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-136.6122.4165.8-70178.6-9.700107.5F232 Q234 V242F232-Q245 HydrophobicContact CE2-CB 4.32Å; F232-Q245 HydrophobicContact CZ-CB 4.09Å; F232-Q245 HydrophobicContact CZ-CG 4.04Å; Q234-Q245 HydrophobicContact CB-CG 4.19Å; Q234-Q245 HydrophobicContact CG-CG 3.93Å; V242-Q245 HydrophobicContact CG1-CG 3.83Å
246Q92.9Very high90Very high37 Ų3755.7 Ų55.717%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-129.8148.6-178.1-72.2-66.1-13.200109.9D79 Y157 I159 F232 V233 F244D79-Q246 PolarHBondContact OD2-NE2 2.76Å; Y157-Q246 HydrophobicContact CE2-CG 4.08Å; Y157-Q246 WeakPolarHBondContact OH-CG 3.34Å; Y157-Q246 PolarHBondContact OH-NE2 3.41Å; I159-Q246 HydrophobicContact CD1-CB 4.44Å; F232-Q246 WeakPolarHBondContact CA-O 3.39Å; V233-Q246 PolarHBondContact N-O 2.64Å; V233-Q246 PolarHBondContact O-N 2.68Å; F244-Q246 HydrophobicContact CD2-CG 4.14Å
247S95Very high90Very high65 Ų6554.8 Ų54.846%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-142.9144.917663.70000113L78 L231L78-S247 WeakPolarHBondContact CD2-O 3.31Å; L231-S247 CarbonylContact O-C 3.52Å; L231-S247 WeakPolarHBondContact O-CA 3.4Å; L231-S247 WeakPolarHBondContact O-CB 3.48Å
248A95.3Very high90.3Very high20 Ų2055.8 Ų55.817%0.16531%0.31CS..EExtended strand (participates in β ladder)trans-134.6146.6179.200000110.9L78 K230 L231L78-A248 HydrophobicContact CD1-CB 3.51Å; L78-A248 HydrophobicContact CD2-CB 3.37Å; L78-A248 HydrophobicContact CG-CB 3.85Å; K230-A248 CarbonylContact C-O 3.58Å; K230-A248 WeakPolarHBondContact CA-O 3.09Å; K230-A248 WeakPolarHBondContact CB-O 3.39Å; L231-A248 PolarHBondContact N-O 3.11Å; L231-A248 PolarHBondContact O-N 3.3Å
249N95.3Very high90.8Very high128 Ų12851.7 Ų51.768%0.68429%0.285SS*.EExtended strand (participates in β ladder)trans-72137.2170.3-64.2-21000110
250L95.6Very high91.4Very high15 Ų1552.6 Ų52.68%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-109.3151.9174-63.4172.1000109.4R163 I165 Y171 V190 Y229 L231R163-L250 WeakPolarHBondContact O-CA 3.32Å; I165-L250 HydrophobicContact CD1-CB 4.43Å; I165-L250 HydrophobicContact CD1-CD1 4.39Å; I165-L250 HydrophobicContact CG1-CB 4.41Å; I165-L250 HydrophobicContact CG2-CB 4.41Å; I165-L250 HydrophobicContact CG2-CD1 3.77Å; I165-L250 HydrophobicContact CG2-CD2 4.38Å; I165-L250 HydrophobicContact CG2-CG 4.41Å; Y171-L250 HydrophobicContact CE2-CD2 4.41Å; Y171-L250 VanDerWaalsContact OH-CD2 3.27Å; Y171-L250 WeakPolarHBondContact OH-CD2 3.44Å; V190-L250 HydrophobicContact CG1-CD1 4.05Å; V190-L250 HydrophobicContact CG2-CD1 4.19Å; Y229-L250 PolarHBondContact O-N 3.26Å; L231-L250 HydrophobicContact CB-CD1 3.89Å; L231-L250 HydrophobicContact CB-CD2 4.09Å; L231-L250 HydrophobicContact CB-CG 4.04Å
251E92.5Very high91.9Very high85 Ų8550.7 Ų50.740%0.39726%0.256SS..EExtended strand (participates in β ladder)trans-111.8121.7176.4-179.7172.8166.500109R163 L164 I165R163-E251 HydrophobicContact CG-CB 4.38Å; R163-E251 IonicContact CZ-OE2 3.92Å; R163-E251 IonicContact NE-OE2 2.8Å; R163-E251 PolarHBondContact NE-OE2 3.1Å; R163-E251 IonicContact NH2-OE2 3.21Å; R163-E251 PolarHBondContact NH2-OE2 3.23Å; R163-E251 PolarHBondContact O-N 2.83Å; L164-E251 WeakPolarHBondContact CA-O 3.42Å; L164-E251 HydrophobicContact CD2-CB 3.86Å; L164-E251 HydrophobicContact CD2-CG 3.86Å; I165-E251 PolarHBondContact N-O 2.92Å
252F92.2Very high92.4Very high28 Ų2850.7 Ų50.712%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-84.7126.2-179.8176.4-99.8000110.4I165 P167 L223 P225 Y229 H254I165-F252 HydrophobicContact CD1-CB 4.5Å; I165-F252 HydrophobicContact CD1-CD2 4.27Å; I165-F252 HydrophobicContact CG1-CB 4.23Å; I165-F252 HydrophobicContact CG1-CD2 4.13Å; P167-F252 HydrophobicContact CB-CE2 4.39Å; P167-F252 HydrophobicContact CG-CE2 4.23Å; P167-F252 HydrophobicContact CG-CZ 4.14Å; L223-F252 HydrophobicContact CB-CD2 3.99Å; L223-F252 HydrophobicContact CB-CE2 3.48Å; L223-F252 VanDerWaalsContact CB-CE2 3.48Å; L223-F252 HydrophobicContact CB-CZ 3.77Å; L223-F252 HydrophobicContact CD1-CD2 3.82Å; L223-F252 HydrophobicContact CD1-CE2 3.71Å; L223-F252 HydrophobicContact CG-CE2 4.09Å; P225-F252 HydrophobicContact CB-CD1 4.25Å; P225-F252 HydrophobicContact CB-CE1 4.23Å; P225-F252 HydrophobicContact CG-CE1 4.09Å; Y229-F252 HydrophobicContact CD2-CB 3.82Å; Y229-F252 HydrophobicContact CD2-CG 4.48Å; Y229-F252 HydrophobicContact CE2-CB 3.99Å; Y229-F252 HydrophobicContact CE2-CD2 4.42Å; Y229-F252 HydrophobicContact CE2-CG 4.21Å; F252-H254 HydrophobicContact CE1-CB 4.01Å; F252-H254 HydrophobicContact CZ-CB 4.46Å
253V90.5Very high92.7Very high37 Ų3749.5 Ų49.522%0.22425%0.253CS..  trans-115113.8173.1178.50000107.6L164 I165 R166 P167 K255L164-V253 HydrophobicContact CD2-CG2 3.67Å; I165-V253 PolarHBondContact O-N 2.87Å; R166-V253 WeakPolarHBondContact CA-O 2.78Å; R166-V253 HydrophobicContact CG-CB 3.91Å; R166-V253 HydrophobicContact CG-CG1 4.31Å; R166-V253 WeakPolarHBondContact CG-O 3.38Å; P167-V253 WeakPolarHBondContact CD-O 3.5Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 HydrophobicContact CG1-CB 4.27Å; V253-K255 PolarHBondContact O-N 3.02Å
254H87.5Confident93Very high76 Ų7652.4 Ų52.435%0.35227%0.268SS..  trans-58.5-41.4179.9-173.5-86.1000112.2P167 F252 S256 E344 E345P167-H254 WeakPolarHBondContact CD-O 3.45Å; P167-H254 WeakPolarHBondContact CG-O 3.17Å; F252-H254 HydrophobicContact CE1-CB 4.01Å; F252-H254 HydrophobicContact CZ-CB 4.46Å; H254-S256 PolarHBondContact O-N 3.43Å; H254-E344 IonicContact NE2-OE2 3.09Å; H254-E345 IonicContact CE1-OE1 3.5Å; H254-E345 PolarHBondContact CE1-OE1 3.21Å; H254-E345 IonicContact CG-OE1 2.77Å; H254-E345 IonicContact ND1-OE1 3.78Å; H254-E345 PolarHBondContact ND1-OE1 3.12Å
255K87.5Confident93.1Very high99 Ų9958.6 Ų58.643%0.4329%0.291SS..  trans-65103-176.9-169171.5-176.6179.30112.5R166 V253 H257 S258 E345R166-K255 VanDerWaalsContact CD-O 3.28Å; R166-K255 WeakPolarHBondContact CD-O 3.44Å; R166-K255 PolarHBondContact NE-O 2.64Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 HydrophobicContact CG1-CB 4.27Å; V253-K255 PolarHBondContact O-N 3.02Å; K255-H257 WeakPolarHBondContact CE-O 3.41Å; K255-H257 WeakPolarHBondContact CG-O 3.43Å; K255-S258 VanDerWaalsContact CE-OG 3.25Å; K255-S258 WeakPolarHBondContact CE-OG 3.2Å; K255-S258 PolarHBondContact NZ-OG 2.85Å; K255-E345 VanDerWaalsContact CA-OE1 3.29Å; K255-E345 WeakPolarHBondContact CA-OE1 3.46Å
256S88Confident93Very high6 Ų656.3 Ų56.34%0.04230%0.295CS..  trans-86.8-26.5176.956.60000113.1P167 H254 P283P167-S256 WeakPolarHBondContact O-CB 3.28Å; H254-S256 PolarHBondContact O-N 3.43Å; S256-P283 WeakPolarHBondContact O-CD 3.45Å; S256-P283 VanDerWaalsContact O-CG 3.32Å; S256-P283 WeakPolarHBondContact O-CG 3.48Å
257H90.6Very high93.1Very high12 Ų1259 Ų596%0.05631%0.31CS..  trans-141.9161.2-178.6-54.790.1000110.8K255 V280 V281 Y288K255-H257 WeakPolarHBondContact CE-O 3.41Å; K255-H257 WeakPolarHBondContact CG-O 3.43Å; H257-V280 HydrophobicContact CB-CG1 4.14Å; H257-V281 CarbonylContact C-O 3.57Å; H257-V281 VanDerWaalsContact CA-O 3.3Å; H257-V281 WeakPolarHBondContact CA-O 3.1Å; H257-V281 WeakPolarHBondContact CB-O 3.11Å; H257-Y288 AromaticContact CD2-CD2 3.22Å; H257-Y288 WeakPolarHBondContact CD2-CD2 3.35Å; H257-Y288 AromaticContact CD2-CE2 3.75Å; H257-Y288 AromaticContact CD2-CG 3.69Å; H257-Y288 AromaticContact CE1-CD2 3.78Å; H257-Y288 AromaticContact CE1-CE2 3.47Å; H257-Y288 VanDerWaalsContact CE1-CE2 3.47Å; H257-Y288 WeakPolarHBondContact CE1-CE2 3.34Å; H257-Y288 AromaticContact CG-CD2 3.96Å; H257-Y288 AromaticContact NE2-CD2 3.12Å; H257-Y288 WeakPolarHBondContact NE2-CD2 3.07Å; H257-Y288 AromaticContact NE2-CE2 3.26Å; H257-Y288 VanDerWaalsContact NE2-CE2 3.26Å; H257-Y288 WeakPolarHBondContact NE2-CE2 3.48Å
258S94.2Very high93.1Very high30 Ų3056 Ų5621%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-115.6131.4173.2-640000110.4K255 V280 V281K255-S258 VanDerWaalsContact CE-OG 3.25Å; K255-S258 WeakPolarHBondContact CE-OG 3.2Å; K255-S258 PolarHBondContact NZ-OG 2.85Å; S258-V280 WeakPolarHBondContact O-CA 3.5Å; S258-V281 PolarHBondContact N-O 3.44Å; S258-V281 PolarHBondContact O-N 3.29Å
259I95.9Very high93Very high20 Ų2060.6 Ų60.610%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-106.6123.4177.6-53165.4000107.6I261 V278 I279 V280 V340 V342 E345 A347I259-I261 HydrophobicContact CG2-CG1 4.1Å; I259-V278 HydrophobicContact CG2-CG1 3.97Å; I259-I279 CarbonylContact C-O 3.56Å; I259-I279 WeakPolarHBondContact CA-O 3.48Å; I259-V280 HydrophobicContact CG1-CG1 4.24Å; I259-V280 HydrophobicContact CG1-CG2 4.31Å; I259-V280 HydrophobicContact CG2-CG2 4.38Å; I259-V340 HydrophobicContact CG2-CB 4.05Å; I259-V340 HydrophobicContact CG2-CG1 3.9Å; I259-V342 HydrophobicContact CD1-CB 3.94Å; I259-V342 HydrophobicContact CD1-CG2 3.76Å; I259-V342 HydrophobicContact CG1-CB 4.45Å; I259-V342 HydrophobicContact CG1-CG2 4.11Å; I259-E345 HydrophobicContact CD1-CB 4.37Å; I259-A347 HydrophobicContact CB-CB 3.71Å; I259-A347 HydrophobicContact CD1-CB 4.19Å; I259-A347 HydrophobicContact CG2-CB 3.95Å
260F95.9Very high93Very high103 Ų10356.4 Ų56.445%0.45229%0.285SS..EExtended strand (participates in β ladder)trans-111.6122.2173.9-59.5-82.3000108.6V278 I279 V281F260-V278 CarbonylContact O-C 3.57Å; F260-V278 WeakPolarHBondContact O-CA 3.23Å; F260-I279 HydrophobicContact CB-CB 4.34Å; F260-I279 PolarHBondContact N-O 3.28Å; F260-I279 PolarHBondContact O-N 3.43Å; F260-V281 HydrophobicContact CD2-CG2 4.4Å; F260-V281 HydrophobicContact CE2-CG2 3.68Å
261I96.2Very high92.9Very high12 Ų1257.8 Ų57.86%0.06230%0.303CS..EExtended strand (participates in β ladder)trans-111.6131.8178.8-53.6164.9000106.8I259 I276 R277 V278 I338 V340 A347 E349I259-I261 HydrophobicContact CG2-CG1 4.1Å; I261-I276 HydrophobicContact CG2-CG2 4.2Å; I261-R277 CarbonylContact C-O 3.52Å; I261-R277 WeakPolarHBondContact CA-O 3.21Å; I261-V278 HydrophobicContact CG1-CG2 4.35Å; I261-V278 HydrophobicContact CG2-CG2 4.36Å; I261-I338 HydrophobicContact CG2-CB 4.17Å; I261-I338 HydrophobicContact CG2-CD1 4.28Å; I261-I338 HydrophobicContact CG2-CG2 3.85Å; I261-V340 HydrophobicContact CD1-CB 3.94Å; I261-V340 HydrophobicContact CD1-CG2 3.56Å; I261-V340 HydrophobicContact CG1-CB 4.34Å; I261-V340 HydrophobicContact CG1-CG2 3.78Å; I261-A347 HydrophobicContact CD1-CB 4.07Å; I261-A347 WeakPolarHBondContact CD1-O 2.98Å; I261-E349 HydrophobicContact CB-CB 3.7Å; I261-E349 HydrophobicContact CB-CG 4.45Å; I261-E349 HydrophobicContact CD1-CB 4.32Å; I261-E349 HydrophobicContact CG2-CB 3.7Å; I261-E349 HydrophobicContact CG2-CG 4.42Å
262Q95.4Very high93Very high100 Ų10054.4 Ų54.447%0.46729%0.288SS..EExtended strand (participates in β ladder)trans-139.3147.3-179.1-64.9-178.3-32.200109.7I276 R277Q262-I276 CarbonylContact O-C 3.57Å; Q262-I276 WeakPolarHBondContact O-CA 3.45Å; Q262-R277 HydrophobicContact CB-CB 4.46Å; Q262-R277 PolarHBondContact N-O 3.22Å; Q262-R277 PolarHBondContact O-N 3.46Å
263T95.4Very high93.1Very high34 Ų3455.7 Ų55.721%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-113.5155.5170.353.60000109.5R265 Y268 V274 H275 I276 I338 F351T263-R265 WeakPolarHBondContact CB-O 3.33Å; T263-R265 PolarHBondContact O-N 2.97Å; T263-R265 PolarHBondContact OG1-O 2.86Å; T263-Y268 WeakPolarHBondContact CB-OH 3.47Å; T263-V274 HydrophobicContact CG2-CG1 4.18Å; T263-H275 WeakPolarHBondContact CA-O 3.33Å; T263-I276 HydrophobicContact CG2-CG1 4.36Å; T263-I338 HydrophobicContact CG2-CD1 3.64Å; T263-F351 HydrophobicContact CG2-CB 4.2Å; T263-F351 HydrophobicContact CG2-CD1 4.16Å; T263-F351 HydrophobicContact CG2-CG 4.36Å
264D94.1Very high93.4Very high76 Ų7654 Ų5441%0.40629%0.286SS..SBendtrans-64.7-20.3177.768.5-67000113.2Y268 H275D264-Y268 VanDerWaalsContact CG-OH 3.27Å; D264-Y268 PolarHBondContact N-OH 3.49Å; D264-Y268 VanDerWaalsContact N-OH 3.16Å; D264-Y268 WeakPolarHBondContact OD1-CE1 3.37Å; D264-Y268 PolarHBondContact OD1-OH 3.49Å; D264-H275 HydrophobicContact CB-CB 4.25Å; D264-H275 PolarHBondContact N-O 3.2Å; D264-H275 VanDerWaalsContact N-O 3.08Å; D264-H275 PolarHBondContact OD1-N 3.49Å; D264-H275 IonicContact OD1-ND1 3.56Å
265R92.5Very high93.8Very high143 Ų14353.7 Ų53.754%0.5429%0.285SS..  trans-144154.8178.4-53.9171.2-159.4-153.8-4110.4T263 Y268T263-R265 WeakPolarHBondContact CB-O 3.33Å; T263-R265 PolarHBondContact O-N 2.97Å; T263-R265 PolarHBondContact OG1-O 2.86Å; R265-Y268 HydrophobicContact CB-CE1 4Å; R265-Y268 HydrophobicContact CB-CE2 4.02Å; R265-Y268 HydrophobicContact CG-CE1 4.16Å; R265-Y268 PolarHBondContact N-OH 3.2Å; R265-Y268 WeakPolarHBondContact O-CE2 3.35Å; R265-Y268 PolarHBondContact O-OH 3.46Å
266G91Very high94.1Very high56 Ų5649.8 Ų49.858%0.57727%0.269SS*.SBendtrans-78.6-2817200000114G352G266-G352 PolarHBondContact O-N 3.15Å
267I93.4Very high94.4Very high93 Ų9356.7 Ų56.748%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-135.9135.1-178.3-55.1175000109.7G352 D354I267-G352 CarbonylContact C-O 3.57Å; I267-G352 VanDerWaalsContact CA-O 3.29Å; I267-G352 WeakPolarHBondContact CA-O 3.32Å; I267-D354 HydrophobicContact CG2-CB 4.11Å
268Y95Very high94.7Very high2 Ų256.2 Ų56.21%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-119149.7178.7-64.9-95.1000111.5T263 D264 R265 V274 F351 G352 V353 D354T263-Y268 WeakPolarHBondContact CB-OH 3.47Å; D264-Y268 VanDerWaalsContact CG-OH 3.27Å; D264-Y268 PolarHBondContact N-OH 3.49Å; D264-Y268 VanDerWaalsContact N-OH 3.16Å; D264-Y268 WeakPolarHBondContact OD1-CE1 3.37Å; D264-Y268 PolarHBondContact OD1-OH 3.49Å; R265-Y268 HydrophobicContact CB-CE1 4Å; R265-Y268 HydrophobicContact CB-CE2 4.02Å; R265-Y268 HydrophobicContact CG-CE1 4.16Å; R265-Y268 PolarHBondContact N-OH 3.2Å; R265-Y268 WeakPolarHBondContact O-CE2 3.35Å; R265-Y268 PolarHBondContact O-OH 3.46Å; Y268-V274 HydrophobicContact CD1-CB 4.47Å; Y268-V274 HydrophobicContact CD1-CG2 3.73Å; Y268-V274 HydrophobicContact CD2-CG2 3.88Å; Y268-V274 HydrophobicContact CE1-CB 4.12Å; Y268-V274 HydrophobicContact CE1-CG1 4.33Å; Y268-V274 HydrophobicContact CE1-CG2 3.86Å; Y268-V274 HydrophobicContact CE2-CB 4.41Å; Y268-V274 HydrophobicContact CE2-CG1 3.92Å; Y268-V274 HydrophobicContact CE2-CG2 4Å; Y268-V274 HydrophobicContact CG-CG2 3.74Å; Y268-F351 AromaticContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CE2 4.31Å; Y268-F351 HydrophobicContact CD2-CG 4.44Å; Y268-F351 HydrophobicContact CE2-CB 4.32Å; Y268-F351 AromaticContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CG 4.35Å; Y268-G352 PolarHBondContact N-O 3.3Å; Y268-V353 WeakPolarHBondContact O-CA 3.14Å; Y268-D354 PolarHBondContact O-N 2.85Å
269K93.8Very high94.7Very high118 Ų11857.1 Ų57.151%0.51329%0.293SS..  trans-91.8155.8170.863.2177.9-1781800111.2G271 S272 D354K269-G271 PolarHBondContact O-N 3Å; K269-S272 WeakPolarHBondContact CG-OG 3.48Å; K269-S272 PolarHBondContact N-OG 3.08Å; K269-S272 WeakPolarHBondContact O-CB 3.38Å; K269-S272 PolarHBondContact O-N 3.38Å; K269-S272 PolarHBondContact O-OG 3.38Å; K269-D354 WeakPolarHBondContact CA-O 3.34Å
270P95.2Very high94.7Very high39 Ų3956.1 Ų56.125%0.25329%0.288SS..THydrogen-bonded Turntrans-45.1137.4166.5-31.237000113S272 T329 P331 L333 D354P270-S272 VanDerWaalsContact C-N 3.3Å; P270-S272 PolarHBondContact O-N 2.95Å; P270-T329 VanDerWaalsContact CB-O 3.3Å; P270-T329 WeakPolarHBondContact CB-O 3.24Å; P270-P331 HydrophobicContact CB-CG 4.01Å; P270-P331 HydrophobicContact CG-CG 4.09Å; P270-L333 HydrophobicContact CG-CD2 4.24Å; P270-D354 WeakPolarHBondContact CD-O 3.13Å
271G94Very high94.7Very high44 Ų4452 Ų5245%0.45427%0.272SS..THydrogen-bonded Turntrans76.75.5-176.200000115.7K269 L327 T328K269-G271 PolarHBondContact O-N 3Å; G271-L327 WeakPolarHBondContact CA-O 3.3Å; G271-T328 PolarHBondContact N-O 3.39Å
272S93.6Very high94.5Very high14 Ų1452.4 Ų52.410%0.09827%0.274CS..  trans-82.2154.4176.8-55.50000112.9K269 P270 L327K269-S272 WeakPolarHBondContact CG-OG 3.48Å; K269-S272 PolarHBondContact N-OG 3.08Å; K269-S272 WeakPolarHBondContact O-CB 3.38Å; K269-S272 PolarHBondContact O-N 3.38Å; K269-S272 PolarHBondContact O-OG 3.38Å; P270-S272 VanDerWaalsContact C-N 3.3Å; P270-S272 PolarHBondContact O-N 2.95Å; S272-L327 WeakPolarHBondContact O-CB 3.48Å; S272-L327 WeakPolarHBondContact O-CG 3.48Å; S272-L327 PolarHBondContact O-N 3.42Å
273D95.6Very high94.3Very high56 Ų5649.9 Ų49.930%0.29927%0.267SS..EExtended strand (participates in β ladder)trans-92.6121.7168.2-73.6-33.1000110.5H275 K324 T326D273-H275 PolarHBondContact O-ND1 2.77Å; D273-K324 WeakPolarHBondContact OD1-CE 3.41Å; D273-K324 IonicContact OD1-NZ 2.7Å; D273-K324 WeakPolarHBondContact OD2-CE 3.35Å; D273-K324 IonicContact OD2-NZ 3.02Å; D273-K324 PolarHBondContact OD2-NZ 3.44Å; D273-T326 WeakPolarHBondContact OD1-CA 3.4Å; D273-T326 VanDerWaalsContact OD1-CB 3.31Å; D273-T326 WeakPolarHBondContact OD1-CB 3.39Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.22Å; D273-T326 PolarHBondContact OD1-OG1 2.89Å
274V95.8Very high94Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-92.6115.8175.3179.90000108.4T263 Y268 I276 K324 L325 L327 F351T263-V274 HydrophobicContact CG2-CG1 4.18Å; Y268-V274 HydrophobicContact CD1-CB 4.47Å; Y268-V274 HydrophobicContact CD1-CG2 3.73Å; Y268-V274 HydrophobicContact CD2-CG2 3.88Å; Y268-V274 HydrophobicContact CE1-CB 4.12Å; Y268-V274 HydrophobicContact CE1-CG1 4.33Å; Y268-V274 HydrophobicContact CE1-CG2 3.86Å; Y268-V274 HydrophobicContact CE2-CB 4.41Å; Y268-V274 HydrophobicContact CE2-CG1 3.92Å; Y268-V274 HydrophobicContact CE2-CG2 4Å; Y268-V274 HydrophobicContact CG-CG2 3.74Å; V274-I276 HydrophobicContact CG1-CD1 4.41Å; V274-I276 HydrophobicContact CG1-CG1 3.92Å; V274-K324 WeakPolarHBondContact O-CA 3.37Å; V274-L325 HydrophobicContact CB-CB 4.22Å; V274-L325 PolarHBondContact N-O 2.9Å; V274-L325 PolarHBondContact O-N 3.25Å; V274-L327 HydrophobicContact CG2-CD1 3.95Å; V274-L327 HydrophobicContact CG2-CD2 4.43Å; V274-L327 HydrophobicContact CG2-CG 4.02Å; V274-F351 HydrophobicContact CG1-CE1 4.32Å; V274-F351 HydrophobicContact CG1-CE2 4.25Å; V274-F351 HydrophobicContact CG1-CZ 4.14Å; V274-F351 HydrophobicContact CG2-CD2 4.42Å; V274-F351 HydrophobicContact CG2-CE2 3.8Å; V274-F351 HydrophobicContact CG2-CZ 4.18Å
275H95.6Very high93.9Very high71 Ų7155.1 Ų55.133%0.32929%0.293SS..EExtended strand (participates in β ladder)trans-98124.2174.9-60.480.2000109T263 D264 D273T263-H275 WeakPolarHBondContact CA-O 3.33Å; D264-H275 HydrophobicContact CB-CB 4.25Å; D264-H275 PolarHBondContact N-O 3.2Å; D264-H275 VanDerWaalsContact N-O 3.08Å; D264-H275 PolarHBondContact OD1-N 3.49Å; D264-H275 IonicContact OD1-ND1 3.56Å; D273-H275 PolarHBondContact O-ND1 2.77Å
276I95.5Very high93.9Very high17 Ų1754.4 Ų54.49%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-112.8134.9-174.4-52.2166.7000108.5I261 Q262 T263 V274 V278 I296 L323 I338I261-I276 HydrophobicContact CG2-CG2 4.2Å; Q262-I276 CarbonylContact O-C 3.57Å; Q262-I276 WeakPolarHBondContact O-CA 3.45Å; T263-I276 HydrophobicContact CG2-CG1 4.36Å; V274-I276 HydrophobicContact CG1-CD1 4.41Å; V274-I276 HydrophobicContact CG1-CG1 3.92Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; I276-I296 HydrophobicContact CD1-CD1 3.45Å; I276-I296 VanDerWaalsContact CD1-CD1 3.45Å; I276-I296 HydrophobicContact CD1-CG1 4.25Å; I276-L323 HydrophobicContact CB-CB 4.26Å; I276-L323 HydrophobicContact CB-CD2 3.68Å; I276-L323 HydrophobicContact CB-CG 3.99Å; I276-L323 HydrophobicContact CG2-CD2 3.49Å; I276-L323 VanDerWaalsContact CG2-CD2 3.49Å; I276-L323 HydrophobicContact CG2-CG 4.31Å; I276-L323 PolarHBondContact N-O 3.43Å; I276-I338 HydrophobicContact CD1-CD1 3.71Å; I276-I338 HydrophobicContact CD1-CG1 4.18Å; I276-I338 HydrophobicContact CG1-CD1 3.86Å; I276-I338 HydrophobicContact CG2-CD1 3.92Å; I276-I338 HydrophobicContact CG2-CG2 4.37Å
277R94.5Very high94.1Very high151 Ų15155.4 Ų55.457%0.5729%0.29SS*.EExtended strand (participates in β ladder)trans-117.3128.9171.5-177.6-177.7-67.5175.2-3.3109I261 Q262 I279I261-R277 CarbonylContact C-O 3.52Å; I261-R277 WeakPolarHBondContact CA-O 3.21Å; Q262-R277 HydrophobicContact CB-CB 4.46Å; Q262-R277 PolarHBondContact N-O 3.22Å; Q262-R277 PolarHBondContact O-N 3.46Å; R277-I279 HydrophobicContact CG-CD1 4.35Å; R277-I279 HydrophobicContact CG-CG1 3.97Å
278V95.8Very high94.1Very high1 Ų152.5 Ų52.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-121.5119.3174.8175.60000108.2I259 F260 I261 I276 V280 C317 L323 V340I259-V278 HydrophobicContact CG2-CG1 3.97Å; F260-V278 CarbonylContact O-C 3.57Å; F260-V278 WeakPolarHBondContact O-CA 3.23Å; I261-V278 HydrophobicContact CG1-CG2 4.35Å; I261-V278 HydrophobicContact CG2-CG2 4.36Å; I276-V278 HydrophobicContact CG2-CG2 4.2Å; V278-V280 HydrophobicContact CG1-CG2 4.29Å; V278-C317 HydrophobicContact CB-CB 3.67Å; V278-C317 HydrophobicContact CG1-CB 3.82Å; V278-C317 PolarHBondContact O-N 3.33Å; V278-L323 HydrophobicContact CB-CD2 4.4Å; V278-L323 HydrophobicContact CG2-CD2 3.54Å; V278-V340 HydrophobicContact CG1-CB 4.47Å; V278-V340 HydrophobicContact CG1-CG1 3.85Å; V278-V340 HydrophobicContact CG1-CG2 4.07Å; V278-V340 HydrophobicContact CG2-CG2 3.76Å
279I95.2Very high94Very high49 Ų4956.3 Ų56.325%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-114.6129.4179.7-52.9175.2000108.5I259 F260 R277 V281 G315I259-I279 CarbonylContact C-O 3.56Å; I259-I279 WeakPolarHBondContact CA-O 3.48Å; F260-I279 HydrophobicContact CB-CB 4.34Å; F260-I279 PolarHBondContact N-O 3.28Å; F260-I279 PolarHBondContact O-N 3.43Å; R277-I279 HydrophobicContact CG-CD1 4.35Å; R277-I279 HydrophobicContact CG-CG1 3.97Å; I279-V281 HydrophobicContact CG2-CG1 4.02Å; I279-G315 CarbonylContact C-O 3.6Å; I279-G315 VanDerWaalsContact CA-O 3.26Å; I279-G315 WeakPolarHBondContact CA-O 3.36Å
280V95.8Very high94Very high0 Ų051.9 Ų51.90%029%0.288CS..EExtended strand (participates in β ladder)trans-121.2124.3178.2-167.20000109.4H257 S258 I259 V278 Y288 I312 G315 V342H257-V280 HydrophobicContact CB-CG1 4.14Å; S258-V280 WeakPolarHBondContact O-CA 3.5Å; I259-V280 HydrophobicContact CG1-CG1 4.24Å; I259-V280 HydrophobicContact CG1-CG2 4.31Å; I259-V280 HydrophobicContact CG2-CG2 4.38Å; V278-V280 HydrophobicContact CG1-CG2 4.29Å; V280-Y288 HydrophobicContact CB-CD1 4.25Å; V280-Y288 HydrophobicContact CG1-CD1 3.64Å; V280-Y288 HydrophobicContact CG1-CG 3.99Å; V280-Y288 WeakPolarHBondContact O-CB 3.43Å; V280-Y288 PolarHBondContact O-N 2.89Å; V280-I312 HydrophobicContact CB-CD1 4.29Å; V280-I312 HydrophobicContact CB-CG2 4.28Å; V280-I312 HydrophobicContact CG2-CD1 3.92Å; V280-I312 HydrophobicContact CG2-CG2 4.4Å; V280-G315 PolarHBondContact N-O 3.45Å; V280-G315 VanDerWaalsContact O-CA 3.29Å; V280-G315 WeakPolarHBondContact O-CA 3.18Å; V280-V342 HydrophobicContact CG1-CG1 4.42Å; V280-V342 HydrophobicContact CG2-CG2 4.11Å
281V95.3Very high93.9Very high17 Ų1754.3 Ų54.310%0.10330%0.298CS..EExtended strand (participates in β ladder)trans-129149-178.4-590000111.8H257 S258 F260 I279 L285 K286H257-V281 CarbonylContact C-O 3.57Å; H257-V281 VanDerWaalsContact CA-O 3.3Å; H257-V281 WeakPolarHBondContact CA-O 3.1Å; H257-V281 WeakPolarHBondContact CB-O 3.11Å; S258-V281 PolarHBondContact N-O 3.44Å; S258-V281 PolarHBondContact O-N 3.29Å; F260-V281 HydrophobicContact CD2-CG2 4.4Å; F260-V281 HydrophobicContact CE2-CG2 3.68Å; I279-V281 HydrophobicContact CG2-CG1 4.02Å; V281-L285 HydrophobicContact CG2-CD2 4.23Å; V281-K286 CarbonylContact C-O 3.55Å; V281-K286 VanDerWaalsContact CA-O 3.23Å; V281-K286 WeakPolarHBondContact CA-O 3.44Å; V281-K286 WeakPolarHBondContact CB-O 3.45Å
282T92.2Very high94Very high19 Ų1952.2 Ų52.212%0.11728%0.277CS..  trans-72.2168.9166.451.70000110.5D284 L285 K286 Y288T282-D284 WeakPolarHBondContact CB-OD1 3.33Å; T282-D284 PolarHBondContact O-N 2.87Å; T282-D284 PolarHBondContact OG1-OD1 2.96Å; T282-L285 WeakPolarHBondContact O-CA 3.18Å; T282-L285 PolarHBondContact O-N 3.18Å; T282-K286 PolarHBondContact N-O 3.48Å; T282-K286 WeakPolarHBondContact OG1-CA 3.32Å; T282-K286 WeakPolarHBondContact OG1-CB 3.36Å; T282-K286 PolarHBondContact OG1-N 3.07Å; T282-K286 PolarHBondContact OG1-O 2.91Å; T282-Y288 HydrophobicContact CG2-CD2 4.44Å
283P90.2Very high94.1Very high47 Ų4754.1 Ų54.131%0.30529%0.286SS..THydrogen-bonded Turntrans-68.8-18.1-175.4-20.935.4000114.4R166 L169 S256 L285R166-P283 VanDerWaalsContact CZ-CB 3.5Å; L169-P283 HydrophobicContact CD1-CG 3.72Å; S256-P283 WeakPolarHBondContact O-CD 3.45Å; S256-P283 VanDerWaalsContact O-CG 3.32Å; S256-P283 WeakPolarHBondContact O-CG 3.48Å; P283-L285 PolarHBondContact O-N 3.43Å
284D89.6Confident94.1Very high85 Ų8551.5 Ų51.546%0.45527%0.272SS..THydrogen-bonded Turntrans-85.914.816965.1-25.1000112.6T282 K286T282-D284 WeakPolarHBondContact CB-OD1 3.33Å; T282-D284 PolarHBondContact O-N 2.87Å; T282-D284 PolarHBondContact OG1-OD1 2.96Å; D284-K286 PolarHBondContact O-N 3.48Å; D284-K286 WeakPolarHBondContact OD2-CD 3.45Å; D284-K286 WeakPolarHBondContact OD2-CE 3.48Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å; D284-K286 IonicContact OD2-NZ 2.74Å; D284-K286 PolarHBondContact OD2-NZ 2.99Å
285L92.1Very high94.2Very high136 Ų13652.7 Ų52.771%0.71228%0.279SS*.SBendtrans60.423179.4-54.6175.7000113.8V281 T282 P283V281-L285 HydrophobicContact CG2-CD2 4.23Å; T282-L285 WeakPolarHBondContact O-CA 3.18Å; T282-L285 PolarHBondContact O-N 3.18Å; P283-L285 PolarHBondContact O-N 3.43Å
286K93.6Very high94.2Very high128 Ų12849.4 Ų49.456%0.55726%0.264SS*.PPolyproline II helixtrans-84.1151.6172.1-67.7-174.7-170.7134.70110.7V281 T282 D284 Y288V281-K286 CarbonylContact C-O 3.55Å; V281-K286 VanDerWaalsContact CA-O 3.23Å; V281-K286 WeakPolarHBondContact CA-O 3.44Å; V281-K286 WeakPolarHBondContact CB-O 3.45Å; T282-K286 PolarHBondContact N-O 3.48Å; T282-K286 WeakPolarHBondContact OG1-CA 3.32Å; T282-K286 WeakPolarHBondContact OG1-CB 3.36Å; T282-K286 PolarHBondContact OG1-N 3.07Å; T282-K286 PolarHBondContact OG1-O 2.91Å; D284-K286 PolarHBondContact O-N 3.48Å; D284-K286 WeakPolarHBondContact OD2-CD 3.45Å; D284-K286 WeakPolarHBondContact OD2-CE 3.48Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å; D284-K286 IonicContact OD2-NZ 2.74Å; D284-K286 PolarHBondContact OD2-NZ 2.99Å; K286-Y288 PolarHBondContact O-N 3.1Å
287P94.8Very high94.3Very high76 Ų7649.6 Ų49.649%0.49427%0.267SS..BIsolated β-bridgetrans-62.2126.1178.223-32.8000111.5S314 G315P287-S314 VanDerWaalsContact CB-O 3.32Å; P287-S314 WeakPolarHBondContact CB-O 3.49Å; P287-G315 VanDerWaalsContact CB-N 3.35Å
288Y93.2Very high94.5Very high32 Ų3243 Ų4313%0.12524%0.243CC..PPolyproline II helixtrans-77.1150.1171-179.1-113.4000110.8H257 V280 T282 K286 I312 G315 V342 D343H257-Y288 AromaticContact CD2-CD2 3.22Å; H257-Y288 WeakPolarHBondContact CD2-CD2 3.35Å; H257-Y288 AromaticContact CD2-CE2 3.75Å; H257-Y288 AromaticContact CD2-CG 3.69Å; H257-Y288 AromaticContact CE1-CD2 3.78Å; H257-Y288 AromaticContact CE1-CE2 3.47Å; H257-Y288 VanDerWaalsContact CE1-CE2 3.47Å; H257-Y288 WeakPolarHBondContact CE1-CE2 3.34Å; H257-Y288 AromaticContact CG-CD2 3.96Å; H257-Y288 AromaticContact NE2-CD2 3.12Å; H257-Y288 WeakPolarHBondContact NE2-CD2 3.07Å; H257-Y288 AromaticContact NE2-CE2 3.26Å; H257-Y288 VanDerWaalsContact NE2-CE2 3.26Å; H257-Y288 WeakPolarHBondContact NE2-CE2 3.48Å; V280-Y288 HydrophobicContact CB-CD1 4.25Å; V280-Y288 HydrophobicContact CG1-CD1 3.64Å; V280-Y288 HydrophobicContact CG1-CG 3.99Å; V280-Y288 WeakPolarHBondContact O-CB 3.43Å; V280-Y288 PolarHBondContact O-N 2.89Å; T282-Y288 HydrophobicContact CG2-CD2 4.44Å; K286-Y288 PolarHBondContact O-N 3.1Å; Y288-I312 HydrophobicContact CD1-CD1 3.78Å; Y288-I312 HydrophobicContact CE1-CD1 3.97Å; Y288-I312 WeakPolarHBondContact O-CG2 3.35Å; Y288-G315 VanDerWaalsContact O-CA 3.27Å; Y288-G315 WeakPolarHBondContact O-CA 3.26Å; Y288-G315 PolarHBondContact O-N 3.2Å; Y288-V342 HydrophobicContact CD1-CG1 4.01Å; Y288-V342 HydrophobicContact CE1-CG1 3.45Å; Y288-V342 VanDerWaalsContact CE1-CG1 3.45Å; Y288-D343 PolarHBondContact OH-OD2 3.37Å
289S92.8Very high94.5Very high82 Ų8245.4 Ų45.457%0.57326%0.259SS*.  trans-129.5128.1173.8-60.40000109.1I312S289-I312 WeakPolarHBondContact CA-O 3.46Å
290G92.8Very high94.6Very high25 Ų2547.6 Ų47.626%0.25828%0.278SS..EExtended strand (participates in β ladder)trans173.8-153.1-171.900000111.9I312G290-I312 PolarHBondContact N-O 3.26Å; G290-I312 PolarHBondContact O-N 3.42Å
291L94.4Very high94.5Very high90 Ų9050.1 Ų50.147%0.47130%0.304SS..EExtended strand (participates in β ladder)trans-121.3141.4178.6-61.4175.7000110.3N309 M310L291-N309 HydrophobicContact CD1-CB 4.31Å; L291-M310 CarbonylContact C-O 3.48Å; L291-M310 WeakPolarHBondContact CA-O 3.47Å
292A95.1Very high94.7Very high0 Ų053.7 Ų53.70%032%0.323CS..EExtended strand (participates in β ladder)trans-123.2147.8175.300000111.7N309 M310 I312 C317 V340 S341 V342A292-N309 PolarHBondContact O-N 3.49Å; A292-M310 PolarHBondContact N-O 3.45Å; A292-M310 WeakPolarHBondContact O-CB 3.4Å; A292-M310 PolarHBondContact O-N 2.9Å; A292-I312 HydrophobicContact CB-CD1 3.98Å; A292-I312 HydrophobicContact CB-CG1 3.95Å; A292-C317 VanDerWaalsContact CB-SG 3.56Å; A292-V340 HydrophobicContact CB-CG1 4.32Å; A292-S341 CarbonylContact C-O 3.58Å; A292-S341 WeakPolarHBondContact CA-O 3.44Å; A292-V342 HydrophobicContact CB-CG2 3.83Å
293N95.9Very high94.9Very high55 Ų5556.7 Ų56.729%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-109124.9166.5-63.2-43.5000108.7H307 K308 N309 V340 S341N293-H307 CarbonylContact C-O 3.57Å; N293-H307 WeakPolarHBondContact CA-O 3.5Å; N293-K308 VanDerWaalsContact OD1-CA 3.25Å; N293-K308 WeakPolarHBondContact OD1-CA 3.5Å; N293-N309 PolarHBondContact OD1-N 3.29Å; N293-V340 CarbonylContact O-C 3.56Å; N293-V340 VanDerWaalsContact O-CA 3.3Å; N293-V340 WeakPolarHBondContact O-CA 3.47Å; N293-S341 PolarHBondContact N-O 3.29Å; N293-S341 PolarHBondContact O-N 3.48Å
294V96.1Very high95.2Very high0 Ų058.5 Ų58.50%035%0.347CS..EExtended strand (participates in β ladder)trans-115.6125.4179-174.40000109Q306 H307 L323 I338 A339 V340V294-Q306 CarbonylContact O-C 3.58Å; V294-Q306 WeakPolarHBondContact O-CA 3.48Å; V294-H307 HydrophobicContact CB-CB 4.38Å; V294-H307 PolarHBondContact N-O 3.44Å; V294-H307 PolarHBondContact O-N 2.92Å; V294-L323 HydrophobicContact CB-CD1 4.2Å; V294-L323 HydrophobicContact CG1-CD1 4.12Å; V294-L323 HydrophobicContact CG1-CD2 4.29Å; V294-L323 HydrophobicContact CG2-CD1 4.06Å; V294-L323 HydrophobicContact CG2-CD2 4.49Å; V294-I338 HydrophobicContact CG1-CG2 4.13Å; V294-A339 CarbonylContact C-O 3.54Å; V294-A339 WeakPolarHBondContact CA-O 3.28Å; V294-V340 HydrophobicContact CG1-CG2 4.16Å; V294-V340 HydrophobicContact CG2-CG1 4.41Å; V294-V340 HydrophobicContact CG2-CG2 4.1Å
295T96.8Very high95.4Very high26 Ų2657.8 Ų57.816%0.1634%0.34CS..EExtended strand (participates in β ladder)trans-124130.9177.9-54.90000109.1V303 Q306 A339T295-V303 HydrophobicContact CG2-CB 4.32Å; T295-V303 HydrophobicContact CG2-CG1 3.6Å; T295-V303 HydrophobicContact CG2-CG2 3.8Å; T295-Q306 PolarHBondContact OG1-NE2 3.23Å; T295-A339 PolarHBondContact N-O 3.42Å; T295-A339 PolarHBondContact O-N 3.23Å
296I97.1Very high95.6Very high1 Ų156 Ų561%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-115124.6177.4-53.6176.5000107.7I276 I304 K305 L325 W336 K337I276-I296 HydrophobicContact CD1-CD1 3.45Å; I276-I296 VanDerWaalsContact CD1-CD1 3.45Å; I276-I296 HydrophobicContact CD1-CG1 4.25Å; I296-I304 PolarHBondContact O-N 3.49Å; I296-K305 HydrophobicContact CB-CB 4.28Å; I296-K305 HydrophobicContact CD1-CB 4.21Å; I296-K305 HydrophobicContact CG1-CB 4.49Å; I296-K305 PolarHBondContact N-O 3.46Å; I296-K305 PolarHBondContact O-N 3.02Å; I296-L325 HydrophobicContact CD1-CB 4.12Å; I296-L325 HydrophobicContact CD1-CD1 4.48Å; I296-L325 HydrophobicContact CG2-CD2 3.92Å; I296-W336 HydrophobicContact CG2-CE3 4.21Å; I296-K337 WeakPolarHBondContact CA-O 3.44Å
297S97.9Very high95.6Very high22 Ų2251.9 Ų51.915%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-120.2146.6179.6-58.20000112N302 W336 K337S297-N302 CarbonylContact C-O 3.56Å; S297-N302 WeakPolarHBondContact CA-O 3.37Å; S297-N302 WeakPolarHBondContact CB-O 3.33Å; S297-W336 WeakPolarHBondContact O-CA 3.48Å; S297-K337 PolarHBondContact N-O 2.88Å; S297-K337 PolarHBondContact O-N 2.82Å
298D96.8Very high95.5Very high12 Ų1255 Ų556%0.06432%0.316CS..  trans-73.9174.2172.379.11.2000111.5S300 G301 N302 I304 P332 W336D298-S300 PolarHBondContact O-N 3.38Å; D298-S300 VanDerWaalsContact O-N 3.14Å; D298-S300 WeakPolarHBondContact OD1-CA 3.47Å; D298-S300 WeakPolarHBondContact OD1-CB 3.4Å; D298-S300 PolarHBondContact OD1-N 2.8Å; D298-G301 PolarHBondContact O-N 3.39Å; D298-G301 PolarHBondContact OD1-N 3.38Å; D298-N302 PolarHBondContact N-O 2.96Å; D298-N302 WeakPolarHBondContact OD1-CB 3.3Å; D298-N302 PolarHBondContact OD1-N 3.17Å; D298-N302 PolarHBondContact OD1-ND2 3.45Å; D298-N302 PolarHBondContact OD2-ND2 3.17Å; D298-I304 HydrophobicContact CB-CD1 4.12Å; D298-I304 HydrophobicContact CB-CG1 3.88Å; D298-P332 HydrophobicContact CB-CG 4.47Å; D298-W336 HydrophobicContact CB-CD2 4.41Å; D298-W336 HydrophobicContact CB-CE3 4.33Å; D298-W336 HydrophobicContact CB-CH2 4.05Å; D298-W336 HydrophobicContact CB-CZ2 4.1Å; D298-W336 HydrophobicContact CB-CZ3 4.17Å
299P96.9Very high95.6Very high52 Ų5258.6 Ų58.634%0.33834%0.338SS..THydrogen-bonded Turntrans-62.7-17.7178.7-21.633.1000114.6G301 P332 N335P299-G301 VanDerWaalsContact C-N 3.32Å; P299-P332 HydrophobicContact CG-CB 4.37Å; P299-N335 VanDerWaalsContact CA-O 3.26Å; P299-N335 WeakPolarHBondContact CA-O 3.29Å; P299-N335 WeakPolarHBondContact CB-O 3.42Å; P299-N335 WeakPolarHBondContact CG-O 3.47Å
300S96.5Very high95.5Very high95 Ų9555.5 Ų55.566%0.66432%0.315SS*.THydrogen-bonded Turntrans-89.50.7175.2-62.50000112.7D298 N302D298-S300 PolarHBondContact O-N 3.38Å; D298-S300 VanDerWaalsContact O-N 3.14Å; D298-S300 WeakPolarHBondContact OD1-CA 3.47Å; D298-S300 WeakPolarHBondContact OD1-CB 3.4Å; D298-S300 PolarHBondContact OD1-N 2.8Å; S300-N302 VanDerWaalsContact C-N 3.35Å
301G95.3Very high95.6Very high52 Ų5257.2 Ų57.254%0.53632%0.321SS..  trans82.86.7-178.800000114.4D298 P299D298-G301 PolarHBondContact O-N 3.39Å; D298-G301 PolarHBondContact OD1-N 3.38Å; P299-G301 VanDerWaalsContact C-N 3.32Å
302N97.5Very high95.6Very high92 Ų9253.2 Ų53.249%0.49230%0.3SS..  trans-73.8130.2176.8-55-57.2000109.8S297 D298 S300 I304S297-N302 CarbonylContact C-O 3.56Å; S297-N302 WeakPolarHBondContact CA-O 3.37Å; S297-N302 WeakPolarHBondContact CB-O 3.33Å; D298-N302 PolarHBondContact N-O 2.96Å; D298-N302 WeakPolarHBondContact OD1-CB 3.3Å; D298-N302 PolarHBondContact OD1-N 3.17Å; D298-N302 PolarHBondContact OD1-ND2 3.45Å; D298-N302 PolarHBondContact OD2-ND2 3.17Å; S300-N302 VanDerWaalsContact C-N 3.35Å; N302-I304 HydrophobicContact CB-CD1 4.28Å; N302-I304 PolarHBondContact O-N 2.96Å
303V97.2Very high95.4Very high83 Ų8357.5 Ų57.550%0.50332%0.32SS..EExtended strand (participates in β ladder)trans-73.6111.9175.9177.40000109.6T295 Q306T295-V303 HydrophobicContact CG2-CB 4.32Å; T295-V303 HydrophobicContact CG2-CG1 3.6Å; T295-V303 HydrophobicContact CG2-CG2 3.8Å; V303-Q306 HydrophobicContact CG1-CB 4.18Å
304I95.7Very high95.2Very high85 Ų8559.5 Ų59.544%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-90.7-35.7-178.8-56.7-52.8000111.3I296 D298 N302 L325 W336I296-I304 PolarHBondContact O-N 3.49Å; D298-I304 HydrophobicContact CB-CD1 4.12Å; D298-I304 HydrophobicContact CB-CG1 3.88Å; N302-I304 HydrophobicContact CB-CD1 4.28Å; N302-I304 PolarHBondContact O-N 2.96Å; I304-L325 HydrophobicContact CG2-CD1 4.15Å; I304-W336 HydrophobicContact CB-CZ3 4.04Å; I304-W336 HydrophobicContact CG1-CH2 3.97Å; I304-W336 HydrophobicContact CG1-CZ3 3.61Å; I304-W336 HydrophobicContact CG2-CH2 4.5Å; I304-W336 HydrophobicContact CG2-CZ3 4.14Å
305K94.9Very high95.1Very high70 Ų7059.5 Ų59.530%0.30434%0.339SS..EExtended strand (participates in β ladder)trans-146.3138.4178.9-160.8173.1-170.8-171.90110.8I296 H307 K324 L325I296-K305 HydrophobicContact CB-CB 4.28Å; I296-K305 HydrophobicContact CD1-CB 4.21Å; I296-K305 HydrophobicContact CG1-CB 4.49Å; I296-K305 PolarHBondContact N-O 3.46Å; I296-K305 PolarHBondContact O-N 3.02Å; K305-H307 WeakPolarHBondContact CE-NE2 3.48Å; K305-K324 PolarHBondContact NZ-O 2.88Å; K305-L325 HydrophobicContact CB-CD1 4.29Å; K305-L325 HydrophobicContact CD-CD1 4.34Å
306Q95.2Very high94.9Very high98 Ų9862.5 Ų62.546%0.45835%0.353SS..EExtended strand (participates in β ladder)trans-137.8130.6177-171.4172.857.600110.5V294 T295 V303 K308V294-Q306 CarbonylContact O-C 3.58Å; V294-Q306 WeakPolarHBondContact O-CA 3.48Å; T295-Q306 PolarHBondContact OG1-NE2 3.23Å; V303-Q306 HydrophobicContact CG1-CB 4.18Å; Q306-K308 HydrophobicContact CG-CG 4.27Å
307H94.3Very high94.7Very high41 Ų4162.7 Ų62.719%0.1935%0.354CS..EExtended strand (participates in β ladder)trans-115.6124.5171.4-63.3-97.2000108.4N293 V294 K305 M310 S322N293-H307 CarbonylContact C-O 3.57Å; N293-H307 WeakPolarHBondContact CA-O 3.5Å; V294-H307 HydrophobicContact CB-CB 4.38Å; V294-H307 PolarHBondContact N-O 3.44Å; V294-H307 PolarHBondContact O-N 2.92Å; K305-H307 WeakPolarHBondContact CE-NE2 3.48Å; H307-M310 HydrophobicContact CB-CE 3.37Å; H307-M310 VanDerWaalsContact CG-CE 3.44Å; H307-M310 WeakPolarHBondContact ND1-CE 3.45Å; H307-S322 PolarHBondContact CE1-O 3.02Å
308K94.1Very high94.1Very high142 Ų14262.2 Ų62.262%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-108145178.3-62.9-174.9-178.9-178.90110.5N293 Q306 M310N293-K308 VanDerWaalsContact OD1-CA 3.25Å; N293-K308 WeakPolarHBondContact OD1-CA 3.5Å; Q306-K308 HydrophobicContact CG-CG 4.27Å; K308-M310 PolarHBondContact O-N 2.91Å
309N93.4Very high93.2Very high108 Ų10868.2 Ų68.258%0.57838%0.378SS*.EExtended strand (participates in β ladder)trans50.543.3175.7-59-31.5000113.1L291 A292 N293L291-N309 HydrophobicContact CD1-CB 4.31Å; A292-N309 PolarHBondContact O-N 3.49Å; N293-N309 PolarHBondContact OD1-N 3.29Å
310M92.6Very high91.9Very high17 Ų1769.5 Ų69.58%0.08440%0.401CS..EExtended strand (participates in β ladder)trans-71.7128.9175.9-169.4173.9-57.500109.3L291 A292 H307 K308 I312 C317 G318 L323L291-M310 CarbonylContact C-O 3.48Å; L291-M310 WeakPolarHBondContact CA-O 3.47Å; A292-M310 PolarHBondContact N-O 3.45Å; A292-M310 WeakPolarHBondContact O-CB 3.4Å; A292-M310 PolarHBondContact O-N 2.9Å; H307-M310 HydrophobicContact CB-CE 3.37Å; H307-M310 VanDerWaalsContact CG-CE 3.44Å; H307-M310 WeakPolarHBondContact ND1-CE 3.45Å; K308-M310 PolarHBondContact O-N 2.91Å; M310-I312 PolarHBondContact O-N 2.91Å; M310-C317 PolarHBondContact SD-SG 3.5Å; M310-G318 WeakPolarHBondContact SD-CA 3.27Å; M310-L323 HydrophobicContact CE-CD1 3.5Å; M310-L323 HydrophobicContact SD-CD1 3.97Å
311P94.1Very high90.5Very high61 Ų6171 Ų7140%0.39640%0.402SS..EExtended strand (participates in β ladder)trans-67134.117727.5-33.9000110.9G318P311-G318 PolarHBondContact O-N 3.27Å
312I94.2Very high89.6Confident5 Ų570.5 Ų70.53%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-96.8109.8168-51.7165.2000106.6V280 Y288 S289 G290 A292 M310 I316 V342V280-I312 HydrophobicContact CB-CD1 4.29Å; V280-I312 HydrophobicContact CB-CG2 4.28Å; V280-I312 HydrophobicContact CG2-CD1 3.92Å; V280-I312 HydrophobicContact CG2-CG2 4.4Å; Y288-I312 HydrophobicContact CD1-CD1 3.78Å; Y288-I312 HydrophobicContact CE1-CD1 3.97Å; Y288-I312 WeakPolarHBondContact O-CG2 3.35Å; S289-I312 WeakPolarHBondContact CA-O 3.46Å; G290-I312 PolarHBondContact N-O 3.26Å; G290-I312 PolarHBondContact O-N 3.42Å; A292-I312 HydrophobicContact CB-CD1 3.98Å; A292-I312 HydrophobicContact CB-CG1 3.95Å; M310-I312 PolarHBondContact O-N 2.91Å; I312-I316 WeakPolarHBondContact CA-O 3.5Å; I312-V342 HydrophobicContact CD1-CG1 3.81Å; I312-V342 HydrophobicContact CD1-CG2 3.96Å
313E91.7Very high89.3Confident90 Ų9066.6 Ų66.642%0.42137%0.369SS..EExtended strand (participates in β ladder)trans-112.8129.6177.7-69.6-175.1-151.500109.3G315 I316 K319E313-G315 PolarHBondContact O-N 2.82Å; E313-G315 VanDerWaalsContact O-N 3.12Å; E313-I316 PolarHBondContact N-O 3.21Å; E313-I316 PolarHBondContact O-N 2.75Å; E313-K319 WeakPolarHBondContact OE1-CE 3.33Å; E313-K319 IonicContact OE1-NZ 3.7Å; E313-K319 PolarHBondContact OE1-NZ 2.95Å; E313-K319 WeakPolarHBondContact OE2-CE 3.26Å; E313-K319 IonicContact OE2-NZ 3.41Å; E313-K319 PolarHBondContact OE2-NZ 2.89Å
314S91.7Very high89.1Confident97 Ų9765.7 Ų65.768%0.67836%0.358SS*.THydrogen-bonded Turntrans51.635.8-177.2-57.60000113.2P287 I316P287-S314 VanDerWaalsContact CB-O 3.32Å; P287-S314 WeakPolarHBondContact CB-O 3.49Å; S314-I316 PolarHBondContact O-N 3.42Å
315G92.6Very high89Confident1 Ų162.1 Ų62.11%0.0134%0.34CS..THydrogen-bonded Turntrans77.41.6179.400000114.6I279 V280 P287 Y288 E313I279-G315 CarbonylContact C-O 3.6Å; I279-G315 VanDerWaalsContact CA-O 3.26Å; I279-G315 WeakPolarHBondContact CA-O 3.36Å; V280-G315 PolarHBondContact N-O 3.45Å; V280-G315 VanDerWaalsContact O-CA 3.29Å; V280-G315 WeakPolarHBondContact O-CA 3.18Å; P287-G315 VanDerWaalsContact CB-N 3.35Å; Y288-G315 VanDerWaalsContact O-CA 3.27Å; Y288-G315 WeakPolarHBondContact O-CA 3.26Å; Y288-G315 PolarHBondContact O-N 3.2Å; E313-G315 PolarHBondContact O-N 2.82Å; E313-G315 VanDerWaalsContact O-N 3.12Å
316I93.6Very high89Confident88 Ų8863 Ų6345%0.45135%0.351SS..EExtended strand (participates in β ladder)trans-107.3128.8178.5-57.9175.2000108.9I312 E313 S314 G318I312-I316 WeakPolarHBondContact CA-O 3.5Å; E313-I316 PolarHBondContact N-O 3.21Å; E313-I316 PolarHBondContact O-N 2.75Å; S314-I316 PolarHBondContact O-N 3.42Å; I316-G318 PolarHBondContact O-N 3.47Å
317C93Very high89Confident6 Ų658.6 Ų58.64%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-76.8121176-168.70000110.5V278 A292 M310V278-C317 HydrophobicContact CB-CB 3.67Å; V278-C317 HydrophobicContact CG1-CB 3.82Å; V278-C317 PolarHBondContact O-N 3.33Å; A292-C317 VanDerWaalsContact CB-SG 3.56Å; M310-C317 PolarHBondContact SD-SG 3.5Å
318G84.5Confident89.1Confident11 Ų1160.9 Ų60.911%0.11335%0.348CS..SBendtrans77.6172.5179.400000114.2M310 P311 I316 S322M310-G318 WeakPolarHBondContact SD-CA 3.27Å; P311-G318 PolarHBondContact O-N 3.27Å; I316-G318 PolarHBondContact O-N 3.47Å; G318-S322 WeakPolarHBondContact CA-OG 3.47Å
319K77.6Confident89Confident138 Ų13860 Ų6060%0.635%0.354SS*.SBendtrans-118.8133.5179.7-76-173.2175.71680110.4E313 S322E313-K319 WeakPolarHBondContact OE1-CE 3.33Å; E313-K319 IonicContact OE1-NZ 3.7Å; E313-K319 PolarHBondContact OE1-NZ 2.95Å; E313-K319 WeakPolarHBondContact OE2-CE 3.26Å; E313-K319 IonicContact OE2-NZ 3.41Å; E313-K319 PolarHBondContact OE2-NZ 2.89Å; K319-S322 PolarHBondContact N-OG 3.43Å; K319-S322 WeakPolarHBondContact O-CB 3.35Å; K319-S322 PolarHBondContact O-N 2.99Å; K319-S322 PolarHBondContact O-OG 2.88Å
320G69.5Low89Confident80 Ų8063.1 Ų63.183%0.82537%0.366SS*.THydrogen-bonded Turntrans60.5-133.6177.100000112S322G320-S322 PolarHBondContact O-N 3.43Å
321D68Low89.1Confident127 Ų12762.8 Ų62.868%0.67936%0.364SS*.THydrogen-bonded Turntrans-85.426.5-178.7-69.4-26.3000113.7L323D321-L323 PolarHBondContact O-N 2.95Å; D321-L323 VanDerWaalsContact O-N 3.12Å
322S76.7Confident89.1Confident41 Ų4162.6 Ų62.629%0.28736%0.363SS..  trans-60.8-25.5-177.656.50000113.2H307 G318 K319 G320H307-S322 PolarHBondContact CE1-O 3.02Å; G318-S322 WeakPolarHBondContact CA-OG 3.47Å; K319-S322 PolarHBondContact N-OG 3.43Å; K319-S322 WeakPolarHBondContact O-CB 3.35Å; K319-S322 PolarHBondContact O-N 2.99Å; K319-S322 PolarHBondContact O-OG 2.88Å; G320-S322 PolarHBondContact O-N 3.43Å
323L90Very high89.2Confident10 Ų1066 Ų665%0.05238%0.381CS..SBendtrans-108.662.2-177-137.875.4000111.9I276 V278 V294 M310 D321I276-L323 HydrophobicContact CB-CB 4.26Å; I276-L323 HydrophobicContact CB-CD2 3.68Å; I276-L323 HydrophobicContact CB-CG 3.99Å; I276-L323 HydrophobicContact CG2-CD2 3.49Å; I276-L323 VanDerWaalsContact CG2-CD2 3.49Å; I276-L323 HydrophobicContact CG2-CG 4.31Å; I276-L323 PolarHBondContact N-O 3.43Å; V278-L323 HydrophobicContact CB-CD2 4.4Å; V278-L323 HydrophobicContact CG2-CD2 3.54Å; V294-L323 HydrophobicContact CB-CD1 4.2Å; V294-L323 HydrophobicContact CG1-CD1 4.12Å; V294-L323 HydrophobicContact CG1-CD2 4.29Å; V294-L323 HydrophobicContact CG2-CD1 4.06Å; V294-L323 HydrophobicContact CG2-CD2 4.49Å; M310-L323 HydrophobicContact CE-CD1 3.5Å; M310-L323 HydrophobicContact SD-CD1 3.97Å; D321-L323 PolarHBondContact O-N 2.95Å; D321-L323 VanDerWaalsContact O-N 3.12Å
324K93.3Very high89.4Confident63 Ų6363.1 Ų63.127%0.27438%0.376SS..EExtended strand (participates in β ladder)trans-113.8136.5175.7178.7179.9174.4169.60111.3D273 V274 K305D273-K324 WeakPolarHBondContact OD1-CE 3.41Å; D273-K324 IonicContact OD1-NZ 2.7Å; D273-K324 WeakPolarHBondContact OD2-CE 3.35Å; D273-K324 IonicContact OD2-NZ 3.02Å; D273-K324 PolarHBondContact OD2-NZ 3.44Å; V274-K324 WeakPolarHBondContact O-CA 3.37Å; K305-K324 PolarHBondContact NZ-O 2.88Å
325L94.4Very high89.7Confident11 Ų1163.1 Ų63.16%0.05837%0.368CS..EExtended strand (participates in β ladder)trans-119.7118.9169175.880.1000109.4V274 I296 I304 K305 L327 W336 F351V274-L325 HydrophobicContact CB-CB 4.22Å; V274-L325 PolarHBondContact N-O 2.9Å; V274-L325 PolarHBondContact O-N 3.25Å; I296-L325 HydrophobicContact CD1-CB 4.12Å; I296-L325 HydrophobicContact CD1-CD1 4.48Å; I296-L325 HydrophobicContact CG2-CD2 3.92Å; I304-L325 HydrophobicContact CG2-CD1 4.15Å; K305-L325 HydrophobicContact CB-CD1 4.29Å; K305-L325 HydrophobicContact CD-CD1 4.34Å; L325-L327 HydrophobicContact CD2-CD2 3.84Å; L325-L327 HydrophobicContact CG-CD2 4.44Å; L325-W336 HydrophobicContact CD2-CE3 4.06Å; L325-W336 HydrophobicContact CD2-CZ3 3.95Å; L325-F351 HydrophobicContact CD2-CZ 3.96Å
326T95.1Very high89.9Confident88 Ų8863.6 Ų63.654%0.5437%0.369SS..EExtended strand (participates in β ladder)trans-89.5114.7172.3-61.70000108.8D273D273-T326 WeakPolarHBondContact OD1-CA 3.4Å; D273-T326 VanDerWaalsContact OD1-CB 3.31Å; D273-T326 WeakPolarHBondContact OD1-CB 3.39Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.22Å; D273-T326 PolarHBondContact OD1-OG1 2.89Å
327L95.6Very high90.1Very high6 Ų663.5 Ų63.53%0.03137%0.366CS..  trans-71.4142.4174.9-61.4174000109.7G271 S272 V274 L325 P331 W336 V353G271-L327 WeakPolarHBondContact CA-O 3.3Å; S272-L327 WeakPolarHBondContact O-CB 3.48Å; S272-L327 WeakPolarHBondContact O-CG 3.48Å; S272-L327 PolarHBondContact O-N 3.42Å; V274-L327 HydrophobicContact CG2-CD1 3.95Å; V274-L327 HydrophobicContact CG2-CD2 4.43Å; V274-L327 HydrophobicContact CG2-CG 4.02Å; L325-L327 HydrophobicContact CD2-CD2 3.84Å; L325-L327 HydrophobicContact CG-CD2 4.44Å; L327-P331 HydrophobicContact CB-CB 4.47Å; L327-P331 HydrophobicContact CB-CG 4.37Å; L327-W336 HydrophobicContact CD2-CH2 4.07Å; L327-W336 HydrophobicContact CD2-CZ2 4.08Å; L327-W336 HydrophobicContact CD2-CZ3 4.33Å; L327-V353 HydrophobicContact CD1-CG1 4.02Å; L327-V353 HydrophobicContact CD1-CG2 3.72Å; L327-V353 HydrophobicContact CD2-CG2 4.26Å
328T94.5Very high90.3Very high89 Ų8963.2 Ų63.255%0.54636%0.364SS..  trans-67169.9172.6560000110.9G271 E330 P331G271-T328 PolarHBondContact N-O 3.39Å; T328-E330 PolarHBondContact O-N 2.88Å; T328-E330 PolarHBondContact OG1-O 2.96Å; T328-P331 VanDerWaalsContact O-CD 3.25Å; T328-P331 WeakPolarHBondContact O-CD 3.47Å; T328-P331 WeakPolarHBondContact OG1-CA 3.44Å
329T93Very high90.9Very high122 Ų12264.3 Ų64.375%0.74837%0.372SS*.SBendtrans-67.7-21.7175.349.70000113.2P270P270-T329 VanDerWaalsContact CB-O 3.3Å; P270-T329 WeakPolarHBondContact CB-O 3.24Å
330E93.4Very high91.9Very high175 Ų17557.9 Ų57.982%0.81834%0.344SS*.SBendtrans-134.468.7176.4-64.6-177.5175.200109.7T328T328-E330 PolarHBondContact O-N 2.88Å; T328-E330 PolarHBondContact OG1-O 2.96Å
331P94.2Very high93.1Very high9 Ų955.2 Ų55.26%0.05831%0.313CS..PPolyproline II helixtrans-79.6154.8177.434.4-29.8000109.9P270 L327 T328 L333 W336 V353P270-P331 HydrophobicContact CB-CG 4.01Å; P270-P331 HydrophobicContact CG-CG 4.09Å; L327-P331 HydrophobicContact CB-CB 4.47Å; L327-P331 HydrophobicContact CB-CG 4.37Å; T328-P331 VanDerWaalsContact O-CD 3.25Å; T328-P331 WeakPolarHBondContact O-CD 3.47Å; T328-P331 WeakPolarHBondContact OG1-CA 3.44Å; P331-L333 PolarHBondContact O-N 3.39Å; P331-W336 HydrophobicContact CB-CZ2 4.11Å; P331-V353 HydrophobicContact CB-CG1 4.49Å; P331-V353 HydrophobicContact CG-CG1 3.81Å
332P95.5Very high94.3Very high58 Ų5849.3 Ų49.338%0.37728%0.281SS..PPolyproline II helixtrans-51.7124.2165.2-27.935.4000111.4D298 P299 W336D298-P332 HydrophobicContact CB-CG 4.47Å; P299-P332 HydrophobicContact CG-CB 4.37Å; P332-W336 PolarHBondContact O-NE1 2.88Å
333L95.3Very high94.8Very high77 Ų7751.4 Ų51.440%0.40329%0.289SS..PPolyproline II helixtrans-80.6146.5176-55-179.3000110.1P270 P331 V353 K355P270-L333 HydrophobicContact CG-CD2 4.24Å; P331-L333 PolarHBondContact O-N 3.39Å; L333-V353 WeakPolarHBondContact CA-O 3.42Å; L333-V353 HydrophobicContact CD2-CG1 4.23Å; L333-K355 HydrophobicContact CD1-CD 4.44Å; L333-K355 HydrophobicContact CD1-CG 4.01Å
334G95.8Very high94.4Very high29 Ų2956.3 Ų56.330%0.29931%0.312SS..EExtended strand (participates in β ladder)trans126.7-162.1-17900000112.9V353G334-V353 PolarHBondContact N-O 3.33Å; G334-V353 PolarHBondContact O-N 3.01Å
335N97.2Very high94.2Very high97 Ų9754.8 Ų54.852%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-85121.7-178.1-66.9-3.3000110.7P299 E350P299-N335 VanDerWaalsContact CA-O 3.26Å; P299-N335 WeakPolarHBondContact CA-O 3.29Å; P299-N335 WeakPolarHBondContact CB-O 3.42Å; P299-N335 WeakPolarHBondContact CG-O 3.47Å; N335-E350 PolarHBondContact ND2-OE2 2.76Å
336W97.5Very high94.1Very high10 Ų1061.5 Ų61.54%0.03834%0.337CS..EExtended strand (participates in β ladder)trans-94.5145.9171.9-72.960.5000109.2I296 S297 D298 I304 L325 L327 P331 P332 E350 F351 V353I296-W336 HydrophobicContact CG2-CE3 4.21Å; S297-W336 WeakPolarHBondContact O-CA 3.48Å; D298-W336 HydrophobicContact CB-CD2 4.41Å; D298-W336 HydrophobicContact CB-CE3 4.33Å; D298-W336 HydrophobicContact CB-CH2 4.05Å; D298-W336 HydrophobicContact CB-CZ2 4.1Å; D298-W336 HydrophobicContact CB-CZ3 4.17Å; I304-W336 HydrophobicContact CB-CZ3 4.04Å; I304-W336 HydrophobicContact CG1-CH2 3.97Å; I304-W336 HydrophobicContact CG1-CZ3 3.61Å; I304-W336 HydrophobicContact CG2-CH2 4.5Å; I304-W336 HydrophobicContact CG2-CZ3 4.14Å; L325-W336 HydrophobicContact CD2-CE3 4.06Å; L325-W336 HydrophobicContact CD2-CZ3 3.95Å; L327-W336 HydrophobicContact CD2-CH2 4.07Å; L327-W336 HydrophobicContact CD2-CZ2 4.08Å; L327-W336 HydrophobicContact CD2-CZ3 4.33Å; P331-W336 HydrophobicContact CB-CZ2 4.11Å; P332-W336 PolarHBondContact O-NE1 2.88Å; W336-E350 CarbonylContact O-C 3.53Å; W336-E350 WeakPolarHBondContact O-CA 3.29Å; W336-F351 HydrophobicContact CB-CD1 3.96Å; W336-F351 HydrophobicContact CB-CD2 4.03Å; W336-F351 HydrophobicContact CB-CE1 3.5Å; W336-F351 VanDerWaalsContact CB-CE1 3.5Å; W336-F351 HydrophobicContact CB-CE2 3.58Å; W336-F351 HydrophobicContact CB-CG 4.22Å; W336-F351 HydrophobicContact CB-CZ 3.29Å; W336-F351 HydrophobicContact CD2-CE2 4.29Å; W336-F351 HydrophobicContact CD2-CZ 4.06Å; W336-F351 HydrophobicContact CE3-CZ 4.09Å; W336-F351 HydrophobicContact CG-CE1 4.44Å; W336-F351 AromaticContact CG-CE2 3.8Å; W336-F351 HydrophobicContact CG-CE2 3.8Å; W336-F351 AromaticContact CG-CZ 3.77Å; W336-F351 HydrophobicContact CG-CZ 3.77Å; W336-F351 PolarHBondContact N-O 3.39Å; W336-F351 PolarHBondContact O-N 3.22Å; W336-V353 HydrophobicContact CD2-CG2 4.39Å; W336-V353 HydrophobicContact CG-CG2 4.02Å
337K98Very high94.2Very high87 Ų8758.4 Ų58.438%0.37832%0.32SS..EExtended strand (participates in β ladder)trans-114.1130.9-175.8-173175.2-178.2175.90111I296 S297 F348I296-K337 WeakPolarHBondContact CA-O 3.44Å; S297-K337 PolarHBondContact N-O 2.88Å; S297-K337 PolarHBondContact O-N 2.82Å; K337-F348 VanDerWaalsContact CE-CB 3.49Å; K337-F348 HydrophobicContact CG-CB 4.45Å
338I97.5Very high94.3Very high0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-108116.5170.4-55.6164.6000106.9I261 T263 I276 V294 V340 F348 E349 F351I261-I338 HydrophobicContact CG2-CB 4.17Å; I261-I338 HydrophobicContact CG2-CD1 4.28Å; I261-I338 HydrophobicContact CG2-CG2 3.85Å; T263-I338 HydrophobicContact CG2-CD1 3.64Å; I276-I338 HydrophobicContact CD1-CD1 3.71Å; I276-I338 HydrophobicContact CD1-CG1 4.18Å; I276-I338 HydrophobicContact CG1-CD1 3.86Å; I276-I338 HydrophobicContact CG2-CD1 3.92Å; I276-I338 HydrophobicContact CG2-CG2 4.37Å; V294-I338 HydrophobicContact CG1-CG2 4.13Å; I338-V340 HydrophobicContact CG2-CG2 4.34Å; I338-F348 CarbonylContact O-C 3.57Å; I338-F348 WeakPolarHBondContact O-CA 3.44Å; I338-E349 PolarHBondContact N-O 3.25Å; I338-E349 PolarHBondContact O-N 3.46Å; I338-F351 HydrophobicContact CD1-CD1 3.64Å; I338-F351 HydrophobicContact CD1-CE1 3.78Å; I338-F351 HydrophobicContact CG1-CD1 3.93Å; I338-F351 HydrophobicContact CG1-CE1 3.74Å
339A97.6Very high94.4Very high34 Ų3464.4 Ų64.428%0.28134%0.34SS..EExtended strand (participates in β ladder)trans-109.3129.4174.500000109.7V294 T295V294-A339 CarbonylContact C-O 3.54Å; V294-A339 WeakPolarHBondContact CA-O 3.28Å; T295-A339 PolarHBondContact N-O 3.42Å; T295-A339 PolarHBondContact O-N 3.23Å
340V96.9Very high94.6Very high2 Ų263.1 Ų63.11%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-121.4126.6176.3-178.80000108.9I259 I261 V278 A292 N293 V294 I338 V342 E346 A347I259-V340 HydrophobicContact CG2-CB 4.05Å; I259-V340 HydrophobicContact CG2-CG1 3.9Å; I261-V340 HydrophobicContact CD1-CB 3.94Å; I261-V340 HydrophobicContact CD1-CG2 3.56Å; I261-V340 HydrophobicContact CG1-CB 4.34Å; I261-V340 HydrophobicContact CG1-CG2 3.78Å; V278-V340 HydrophobicContact CG1-CB 4.47Å; V278-V340 HydrophobicContact CG1-CG1 3.85Å; V278-V340 HydrophobicContact CG1-CG2 4.07Å; V278-V340 HydrophobicContact CG2-CG2 3.76Å; A292-V340 HydrophobicContact CB-CG1 4.32Å; N293-V340 CarbonylContact O-C 3.56Å; N293-V340 VanDerWaalsContact O-CA 3.3Å; N293-V340 WeakPolarHBondContact O-CA 3.47Å; V294-V340 HydrophobicContact CG1-CG2 4.16Å; V294-V340 HydrophobicContact CG2-CG1 4.41Å; V294-V340 HydrophobicContact CG2-CG2 4.1Å; I338-V340 HydrophobicContact CG2-CG2 4.34Å; V340-V342 HydrophobicContact CG1-CG2 4.09Å; V340-E346 WeakPolarHBondContact O-CA 3.37Å; V340-A347 PolarHBondContact N-O 3.48Å; V340-A347 PolarHBondContact O-N 2.88Å
341S95.2Very high94.8Very high24 Ų2454.9 Ų54.917%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-113.2128.8174.3170.20000109.5A292 N293 E345A292-S341 CarbonylContact C-O 3.58Å; A292-S341 WeakPolarHBondContact CA-O 3.44Å; N293-S341 PolarHBondContact N-O 3.29Å; N293-S341 PolarHBondContact O-N 3.48Å; S341-E345 WeakPolarHBondContact CA-O 3.41Å
342V93.5Very high94.8Very high3 Ų355.1 Ų55.12%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-133.1118.2174.9-177.30000107.4I259 V280 Y288 A292 I312 V340 E344 E345I259-V342 HydrophobicContact CD1-CB 3.94Å; I259-V342 HydrophobicContact CD1-CG2 3.76Å; I259-V342 HydrophobicContact CG1-CB 4.45Å; I259-V342 HydrophobicContact CG1-CG2 4.11Å; V280-V342 HydrophobicContact CG1-CG1 4.42Å; V280-V342 HydrophobicContact CG2-CG2 4.11Å; Y288-V342 HydrophobicContact CD1-CG1 4.01Å; Y288-V342 HydrophobicContact CE1-CG1 3.45Å; Y288-V342 VanDerWaalsContact CE1-CG1 3.45Å; A292-V342 HydrophobicContact CB-CG2 3.83Å; I312-V342 HydrophobicContact CD1-CG1 3.81Å; I312-V342 HydrophobicContact CD1-CG2 3.96Å; V340-V342 HydrophobicContact CG1-CG2 4.09Å; V342-E344 PolarHBondContact O-N 3.37Å; V342-E344 VanDerWaalsContact O-N 3.15Å; V342-E345 PolarHBondContact N-O 3.08Å; V342-E345 PolarHBondContact O-N 3.44Å
343D87Confident94.9Very high86 Ų8652.4 Ų52.446%0.4627%0.274SS..THydrogen-bonded Turntrans52.9-114.5-170.8-53.5-47.2000111.7Y288Y288-D343 PolarHBondContact OH-OD2 3.37Å
344E82.4Confident94.7Very high112 Ų11253 Ų5352%0.52328%0.277SS..THydrogen-bonded Turntrans-102.82.8178.4-64.5176.4175.800112.7H254 V342H254-E344 IonicContact NE2-OE2 3.09Å; V342-E344 PolarHBondContact O-N 3.37Å; V342-E344 VanDerWaalsContact O-N 3.15Å
345E88.3Confident94.3Very high31 Ų3158.8 Ų58.815%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-101.9134.9-178.2-65.7-70.1149.500110.7H254 K255 I259 S341 V342H254-E345 IonicContact CE1-OE1 3.5Å; H254-E345 PolarHBondContact CE1-OE1 3.21Å; H254-E345 IonicContact CG-OE1 2.77Å; H254-E345 IonicContact ND1-OE1 3.78Å; H254-E345 PolarHBondContact ND1-OE1 3.12Å; K255-E345 VanDerWaalsContact CA-OE1 3.29Å; K255-E345 WeakPolarHBondContact CA-OE1 3.46Å; I259-E345 HydrophobicContact CD1-CB 4.37Å; S341-E345 WeakPolarHBondContact CA-O 3.41Å; V342-E345 PolarHBondContact N-O 3.08Å; V342-E345 PolarHBondContact O-N 3.44Å
346E93.5Very high93.2Very high153 Ų15360.4 Ų60.472%0.71529%0.294SS*.EExtended strand (participates in β ladder)trans-121.9137.7174.4-61.8-165.7158.300110.6V340V340-E346 WeakPolarHBondContact O-CA 3.37Å
347A96.2Very high91.9Very high23 Ų2364.6 Ų64.619%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-128.2151.4170.400000109.6I259 I261 V340I259-A347 HydrophobicContact CB-CB 3.71Å; I259-A347 HydrophobicContact CD1-CB 4.19Å; I259-A347 HydrophobicContact CG2-CB 3.95Å; I261-A347 HydrophobicContact CD1-CB 4.07Å; I261-A347 WeakPolarHBondContact CD1-O 2.98Å; V340-A347 PolarHBondContact N-O 3.48Å; V340-A347 PolarHBondContact O-N 2.88Å
348F96.9Very high90.9Very high129 Ų12966.2 Ų66.257%0.56633%0.332SS*.EExtended strand (participates in β ladder)trans-134.9151.217565.7-88.2000110.8K337 I338K337-F348 VanDerWaalsContact CE-CB 3.49Å; K337-F348 HydrophobicContact CG-CB 4.45Å; I338-F348 CarbonylContact O-C 3.57Å; I338-F348 WeakPolarHBondContact O-CA 3.44Å
349E97.3Very high89.6Confident92 Ų9270.2 Ų70.243%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-139.8150.7172.5-169.966.3-164.900108.4I261 I338I261-E349 HydrophobicContact CB-CB 3.7Å; I261-E349 HydrophobicContact CB-CG 4.45Å; I261-E349 HydrophobicContact CD1-CB 4.32Å; I261-E349 HydrophobicContact CG2-CB 3.7Å; I261-E349 HydrophobicContact CG2-CG 4.42Å; I338-E349 PolarHBondContact N-O 3.25Å; I338-E349 PolarHBondContact O-N 3.46Å
350E97.3Very high88.8Confident94 Ų9471.8 Ų71.844%0.43937%0.365SS..EExtended strand (participates in β ladder)trans-116.4146.8179.4-65.7-175-177.600111.3N335 W336N335-E350 PolarHBondContact ND2-OE2 2.76Å; W336-E350 CarbonylContact O-C 3.53Å; W336-E350 WeakPolarHBondContact O-CA 3.29Å
351F96.7Very high88.3Confident3 Ų378.3 Ų78.31%0.01339%0.393CS..EExtended strand (participates in β ladder)trans-133146.2170.667.6-89.6000110.6T263 Y268 V274 L325 W336 I338 V353T263-F351 HydrophobicContact CG2-CB 4.2Å; T263-F351 HydrophobicContact CG2-CD1 4.16Å; T263-F351 HydrophobicContact CG2-CG 4.36Å; Y268-F351 AromaticContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CD2 3.69Å; Y268-F351 HydrophobicContact CD2-CE2 4.31Å; Y268-F351 HydrophobicContact CD2-CG 4.44Å; Y268-F351 HydrophobicContact CE2-CB 4.32Å; Y268-F351 AromaticContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CD2 3.99Å; Y268-F351 HydrophobicContact CE2-CG 4.35Å; V274-F351 HydrophobicContact CG1-CE1 4.32Å; V274-F351 HydrophobicContact CG1-CE2 4.25Å; V274-F351 HydrophobicContact CG1-CZ 4.14Å; V274-F351 HydrophobicContact CG2-CD2 4.42Å; V274-F351 HydrophobicContact CG2-CE2 3.8Å; V274-F351 HydrophobicContact CG2-CZ 4.18Å; L325-F351 HydrophobicContact CD2-CZ 3.96Å; W336-F351 HydrophobicContact CB-CD1 3.96Å; W336-F351 HydrophobicContact CB-CD2 4.03Å; W336-F351 HydrophobicContact CB-CE1 3.5Å; W336-F351 VanDerWaalsContact CB-CE1 3.5Å; W336-F351 HydrophobicContact CB-CE2 3.58Å; W336-F351 HydrophobicContact CB-CG 4.22Å; W336-F351 HydrophobicContact CB-CZ 3.29Å; W336-F351 HydrophobicContact CD2-CE2 4.29Å; W336-F351 HydrophobicContact CD2-CZ 4.06Å; W336-F351 HydrophobicContact CE3-CZ 4.09Å; W336-F351 HydrophobicContact CG-CE1 4.44Å; W336-F351 AromaticContact CG-CE2 3.8Å; W336-F351 HydrophobicContact CG-CE2 3.8Å; W336-F351 AromaticContact CG-CZ 3.77Å; W336-F351 HydrophobicContact CG-CZ 3.77Å; W336-F351 PolarHBondContact N-O 3.39Å; W336-F351 PolarHBondContact O-N 3.22Å; I338-F351 HydrophobicContact CD1-CD1 3.64Å; I338-F351 HydrophobicContact CD1-CE1 3.78Å; I338-F351 HydrophobicContact CG1-CD1 3.93Å; I338-F351 HydrophobicContact CG1-CE1 3.74Å; F351-V353 HydrophobicContact CD2-CG2 4.05Å; F351-V353 HydrophobicContact CE2-CG2 3.68Å
352G95.5Very high88Confident13 Ų1382.3 Ų82.313%0.13441%0.409CS..EExtended strand (participates in β ladder)trans-84.5141.1-18000000112G266 I267 Y268G266-G352 PolarHBondContact O-N 3.15Å; I267-G352 CarbonylContact C-O 3.57Å; I267-G352 VanDerWaalsContact CA-O 3.29Å; I267-G352 WeakPolarHBondContact CA-O 3.32Å; Y268-G352 PolarHBondContact N-O 3.3Å
353V96.2Very high88Confident2 Ų285.9 Ų85.91%0.01243%0.431CS..EExtended strand (participates in β ladder)trans-119.4118163.3-179.10000108.3Y268 L327 P331 L333 G334 W336 F351Y268-V353 WeakPolarHBondContact O-CA 3.14Å; L327-V353 HydrophobicContact CD1-CG1 4.02Å; L327-V353 HydrophobicContact CD1-CG2 3.72Å; L327-V353 HydrophobicContact CD2-CG2 4.26Å; P331-V353 HydrophobicContact CB-CG1 4.49Å; P331-V353 HydrophobicContact CG-CG1 3.81Å; L333-V353 WeakPolarHBondContact CA-O 3.42Å; L333-V353 HydrophobicContact CD2-CG1 4.23Å; G334-V353 PolarHBondContact N-O 3.33Å; G334-V353 PolarHBondContact O-N 3.01Å; W336-V353 HydrophobicContact CD2-CG2 4.39Å; W336-V353 HydrophobicContact CG-CG2 4.02Å; F351-V353 HydrophobicContact CD2-CG2 4.05Å; F351-V353 HydrophobicContact CE2-CG2 3.68Å
354D92.5Very high88.3Confident89 Ų8985.3 Ų85.348%0.47643%0.425SS..  trans-141.3162.2-177.5-159.2-1.4000110.9I267 Y268 K269 P270 Y356I267-D354 HydrophobicContact CG2-CB 4.11Å; Y268-D354 PolarHBondContact O-N 2.85Å; K269-D354 WeakPolarHBondContact CA-O 3.34Å; P270-D354 WeakPolarHBondContact CD-O 3.13Å; D354-Y356 PolarHBondContact O-N 3.05Å
355K87.7Confident88.8Confident151 Ų15184 Ų8466%0.65742%0.424SS*.  trans-68.983.7166.9-65.9-176.2-176-179.10108.2L333 V357L333-K355 HydrophobicContact CD1-CD 4.44Å; L333-K355 HydrophobicContact CD1-CG 4.01Å; K355-V357 PolarHBondContact O-N 3.49Å
356Y72.8Confident89Confident131 Ų13187.4 Ų87.451%0.51444%0.439SS..  trans-67.3103.9178.2-166.1-90.3000110D354 L358D354-Y356 PolarHBondContact O-N 3.05Å; Y356-L358 HydrophobicContact CE1-CB 4.47Å; Y356-L358 HydrophobicContact CE1-CD1 4.33Å
357V71Confident88.8Confident97 Ų9784.4 Ų84.459%0.58843%0.433SS*.  trans-89.4123.8164.6-177.90000106.3K355 P359K355-V357 PolarHBondContact O-N 3.49Å; V357-P359 WeakPolarHBondContact O-CD 3.42Å; V357-P359 VanDerWaalsContact O-N 3.15Å
358L77Confident88.5Confident121 Ų12185.9 Ų85.963%0.63444%0.441SS*.  trans-65.3113.9172.9178.768000107.3Y356 T360Y356-L358 HydrophobicContact CE1-CB 4.47Å; Y356-L358 HydrophobicContact CE1-CD1 4.33Å; L358-T360 PolarHBondContact O-N 3.48Å
359P69.9Low88.2Confident84 Ų8485.4 Ų85.455%0.54545%0.453SS..  trans-65.9108177.925.1-31.2000108.1V357V357-P359 WeakPolarHBondContact O-CD 3.42Å; V357-P359 VanDerWaalsContact O-N 3.15Å
360T81Confident87.8Confident68 Ų6889.1 Ų89.142%0.41747%0.468SS..  trans-86.6126.5172.451.20000108.3L358 Q386L358-T360 PolarHBondContact O-N 3.48Å; T360-Q386 PolarHBondContact O-N 3.45Å; T360-Q386 PolarHBondContact OG1-OE1 3.37Å
361F86.1Confident87.2Confident138 Ų13887.6 Ų87.661%0.60547%0.472SS*.EExtended strand (participates in β ladder)trans-123146.3170.968-90000109.8V363 K384 F385F361-V363 HydrophobicContact CD2-CG2 3.83Å; F361-V363 HydrophobicContact CE2-CG2 4Å; F361-K384 CarbonylContact C-O 3.58Å; F361-K384 WeakPolarHBondContact CA-O 3.43Å; F361-K384 WeakPolarHBondContact CB-O 3.33Å; F361-F385 HydrophobicContact CB-CD1 3.47Å; F361-F385 VanDerWaalsContact CB-CD1 3.47Å; F361-F385 HydrophobicContact CB-CE1 3.72Å; F361-F385 HydrophobicContact CB-CG 4.28Å; F361-F385 HydrophobicContact CG-CD1 4.43Å; F361-F385 HydrophobicContact CG-CE1 4.29Å
362E89.1Confident86.7Confident109 Ų10992.2 Ų92.251%0.50950%0.5SS..EExtended strand (participates in β ladder)trans-117.6127.4175.4-178-175.4-149.400107.5A383 K384E362-A383 CarbonylContact O-C 3.47Å; E362-A383 WeakPolarHBondContact O-CA 3.44Å; E362-K384 HydrophobicContact CB-CB 4.36Å; E362-K384 PolarHBondContact N-O 3.42Å; E362-K384 PolarHBondContact O-N 2.97Å; E362-K384 WeakPolarHBondContact OE2-CD 3.46Å; E362-K384 IonicContact OE2-NZ 3.86Å; E362-K384 PolarHBondContact OE2-NZ 2.89Å
363V92.7Very high86.1Confident78 Ų7898.8 Ų98.847%0.47354%0.538SS..EExtended strand (participates in β ladder)trans-110.7116.8171.8-175.70000108.2F361 V365 V381 T382 A383F361-V363 HydrophobicContact CD2-CG2 3.83Å; F361-V363 HydrophobicContact CE2-CG2 4Å; V363-V365 HydrophobicContact CG1-CG2 4.21Å; V363-V381 HydrophobicContact CG1-CG1 3.75Å; V363-T382 CarbonylContact C-O 3.6Å; V363-T382 WeakPolarHBondContact CA-O 3.45Å; V363-A383 HydrophobicContact CG2-CB 4.42Å
364E93.3Very high85.7Confident73 Ų73106.5 Ų106.534%0.34158%0.579SS.*EExtended strand (participates in β ladder)trans-103.8120.4173.4-169.7-176.9178.300108.8K366 T382E364-K366 HydrophobicContact CG-CG 4.35Å; E364-K366 WeakPolarHBondContact OE1-CE 3.4Å; E364-K366 IonicContact OE1-NZ 3.56Å; E364-K366 IonicContact OE2-NZ 3.91Å; E364-T382 PolarHBondContact N-O 3.42Å; E364-T382 PolarHBondContact O-N 3.12Å
365V93.8Very high85.3Confident84 Ų84103.7 Ų103.751%0.50957%0.571SS.*EExtended strand (participates in β ladder)trans-105.1113.5175.7-176.70000108V363 P367 V379 V381V363-V365 HydrophobicContact CG1-CG2 4.21Å; V365-P367 WeakPolarHBondContact O-CD 3.37Å; V365-V379 HydrophobicContact CG1-CG1 3.29Å; V365-V381 HydrophobicContact CG1-CG2 4.43Å; V365-V381 HydrophobicContact CG2-CG1 4.43Å; V365-V381 HydrophobicContact CG2-CG2 4.4Å
366K91.7Very high85.2Confident103 Ų103104.6 Ų104.645%0.44858%0.583SS.*EExtended strand (participates in β ladder)trans-100.698.6176.6-68.8-176.8-178.1176.30109.8E364 F380E364-K366 HydrophobicContact CG-CG 4.35Å; E364-K366 WeakPolarHBondContact OE1-CE 3.4Å; E364-K366 IonicContact OE1-NZ 3.56Å; E364-K366 IonicContact OE2-NZ 3.91Å; K366-F380 HydrophobicContact CB-CB 4.23Å; K366-F380 PolarHBondContact N-O 3.35Å; K366-F380 PolarHBondContact O-N 3.33Å
367P91.3Very high86Confident90 Ų90103.1 Ų103.158%0.58458%0.583SS**  trans-70.3161.4168.231.8-35000110.4V365V365-P367 WeakPolarHBondContact O-CD 3.37Å
368P89.8Confident86.8Confident55 Ų55103.1 Ų103.136%0.35758%0.583SS.*  trans-64.4154.9167.329.2-32.2000110.2F370 I377 T378P368-F370 PolarHBondContact O-N 3.49Å; P368-I377 HydrophobicContact CG-CG2 3.84Å; P368-T378 WeakPolarHBondContact CD-O 3.39Å
369S89.3Confident87.5Confident119 Ų119100.4 Ų100.483%0.83257%0.571SS**SBendtrans-66.2-22.1-178.350.20000113.9
370F88.4Confident88.6Confident169 Ų169103.1 Ų103.174%0.74158%0.575SS**  trans-148.4152.4174.356.5-89.6000110P368P368-F370 PolarHBondContact O-N 3.49Å
371A86Confident89.2Confident62 Ų62104.7 Ų104.751%0.51258%0.584SS.*  trans-139.9141.6175.900000109.8I377A371-I377 HydrophobicContact CB-CD1 3.83Å; A371-I377 HydrophobicContact CB-CG1 3.95Å
372T85.9Confident89.5Confident101 Ų101101 Ų10162%0.6257%0.573SS**  trans-89.4140.917345.90000110.3N374 G375T372-N374 PolarHBondContact O-N 3Å; T372-G375 PolarHBondContact O-N 2.88Å
373V83.8Confident89.6Confident151 Ų15198.1 Ų98.192%0.91557%0.568SS**THydrogen-bonded Turntrans-53-27.9-174.5-178.10000113.9
374N86.1Confident89.4Confident164 Ų16499.2 Ų99.288%0.87757%0.566SS**THydrogen-bonded Turntrans-118.617.5-178.7-64.5-13.5000113.8T372T372-N374 PolarHBondContact O-N 3Å
375G83.8Confident88.9Confident30 Ų30102.4 Ų102.431%0.30958%0.579SS.*SBendtrans-105.2153.9179.300000112.5T372 I377T372-G375 PolarHBondContact O-N 2.88Å; G375-I377 PolarHBondContact O-N 3.17Å
376D87.1Confident87.9Confident169 Ų169105.2 Ų105.290%0.90459%0.587SS**  trans-62.8133.4171.9-67.4-25.6000110.4
377I88Confident86.4Confident100 Ų100113.2 Ų113.251%0.51362%0.616SS.*  trans-105.3109.9178-55.2178.7000108.8P368 A371 G375 V379P368-I377 HydrophobicContact CG-CG2 3.84Å; A371-I377 HydrophobicContact CB-CD1 3.83Å; A371-I377 HydrophobicContact CB-CG1 3.95Å; G375-I377 PolarHBondContact O-N 3.17Å; I377-V379 HydrophobicContact CG2-CG2 3.85Å
378T88.4Confident86.2Confident98 Ų98114.4 Ų114.460%0.60162%0.618SS**  trans-88.3116.2172.2-53.90000109.7P368P368-T378 WeakPolarHBondContact CD-O 3.39Å
379V92.3Very high86Confident63 Ų63117.5 Ų117.538%0.38263%0.631SS.*  trans-108.7134.2178.9-177.50000109.7V365 I377 V381V365-V379 HydrophobicContact CG1-CG1 3.29Å; I377-V379 HydrophobicContact CG2-CG2 3.85Å; V379-V381 HydrophobicContact CG1-CG2 4.43Å
380F92.7Very high85.8Confident142 Ų142117.4 Ų117.462%0.62362%0.62SS**EExtended strand (participates in β ladder)trans-94.2118173.6-64.5-83.2000109.9K366K366-F380 HydrophobicContact CB-CB 4.23Å; K366-F380 PolarHBondContact N-O 3.35Å; K366-F380 PolarHBondContact O-N 3.33Å
381V93.7Very high85.6Confident100 Ų100114.4 Ų114.461%0.60661%0.613SS**EExtended strand (participates in β ladder)trans-103.7120.7174.6-1760000108.3V363 V365 V379V363-V381 HydrophobicContact CG1-CG1 3.75Å; V365-V381 HydrophobicContact CG1-CG2 4.43Å; V365-V381 HydrophobicContact CG2-CG1 4.43Å; V365-V381 HydrophobicContact CG2-CG2 4.4Å; V379-V381 HydrophobicContact CG1-CG2 4.43Å
382T92.7Very high85.6Confident60 Ų60117.7 Ų117.737%0.36862%0.619SS.*EExtended strand (participates in β ladder)trans-112.8123175.1-55.50000108.4V363 E364V363-T382 CarbonylContact C-O 3.6Å; V363-T382 WeakPolarHBondContact CA-O 3.45Å; E364-T382 PolarHBondContact N-O 3.42Å; E364-T382 PolarHBondContact O-N 3.12Å
383A91.4Very high85.6Confident49 Ų49118.8 Ų118.841%0.40562%0.619SS.*EExtended strand (participates in β ladder)trans-109.2130.4172.600000109.6E362 V363 F385E362-A383 CarbonylContact O-C 3.47Å; E362-A383 WeakPolarHBondContact O-CA 3.44Å; V363-A383 HydrophobicContact CG2-CB 4.42Å; A383-F385 HydrophobicContact CB-CE2 3.62Å; A383-F385 HydrophobicContact CB-CZ 3.78Å
384K88.2Confident85.7Confident102 Ų102116.5 Ų116.544%0.44360%0.598SS.*EExtended strand (participates in β ladder)trans-113.4141.9172.4-59.5178-162.2149.70108.6F361 E362F361-K384 CarbonylContact C-O 3.58Å; F361-K384 WeakPolarHBondContact CA-O 3.43Å; F361-K384 WeakPolarHBondContact CB-O 3.33Å; E362-K384 HydrophobicContact CB-CB 4.36Å; E362-K384 PolarHBondContact N-O 3.42Å; E362-K384 PolarHBondContact O-N 2.97Å; E362-K384 WeakPolarHBondContact OE2-CD 3.46Å; E362-K384 IonicContact OE2-NZ 3.86Å; E362-K384 PolarHBondContact OE2-NZ 2.89Å
385F83.3Confident85.7Confident139 Ų139112.8 Ų112.861%0.6158%0.577SS**EExtended strand (participates in β ladder)trans-129139.3179.4-55.8-93.6000108.1F361 A383F361-F385 HydrophobicContact CB-CD1 3.47Å; F361-F385 VanDerWaalsContact CB-CD1 3.47Å; F361-F385 HydrophobicContact CB-CE1 3.72Å; F361-F385 HydrophobicContact CB-CG 4.28Å; F361-F385 HydrophobicContact CG-CD1 4.43Å; F361-F385 HydrophobicContact CG-CE1 4.29Å; A383-F385 HydrophobicContact CB-CE2 3.62Å; A383-F385 HydrophobicContact CB-CZ 3.78Å
386Q71.8Confident85.9Confident143 Ų143119.8 Ų119.867%0.66860%0.599SS**  trans-102.7127.4165.9-69.3-178.2-20.900108.3T360T360-Q386 PolarHBondContact O-N 3.45Å; T360-Q386 PolarHBondContact OG1-OE1 3.37Å
387Y60.8Low85.8Confident272 Ų272115.3 Ų115.3100%1.06757%0.571SS**  trans-90.90171.6-86.8-80.3000110.7

Retrieved 387 of 387 residues in 639.9 ms (Link to these results)