A0A096NN57_PAPAN Loading...

Milk fat globule EGF and factor V/VIII domain containing

AlphaFold DB , UniProt , Accession A0A096NN57, Species PAPAN (Papio anubis, Olive baboon), Gene MFGE8, 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
1M27.3Very low34.8Very low245 Ų245151.7 Ų151.7100%1.20787%0.872SS**  0153.10-73.6177.717500108.8
2P47.7Very low34.4Very low118 Ų118145.3 Ų145.377%0.76686%0.864SS**  trans-129.7179.7-139.141.3-27.7000118.1
3R32.8Very low34.4Very low236 Ų236141.2 Ų141.289%0.89186%0.856SS**  trans98.1153.5168.1-66.1-169.7171.5-167.3-1.7116.4
4P46Very low34.4Very low120 Ų120143.7 Ų143.778%0.77986%0.861SS**  cis-99.1-154.41.237.9-26.2000112.4
5C30.8Very low34.6Very low112 Ų112145.3 Ų145.376%0.75786%0.861SS**  cis-154.1-155.210.1-146.40000114.5
6L34.5Very low34.6Very low151 Ų151143.8 Ų143.879%0.79186%0.859SS**  trans-65.3152.6-175.2-84.973.7000117.8
7L32.2Very low34.5Very low180 Ų180140.6 Ų140.694%0.94285%0.852SS**  -162.4164.7110.1-125.1111000113.1
8A33.1Very low34.8Very low93 Ų93138.9 Ų138.977%0.76984%0.844SS**  trans-89.3158.8-16700000115.1
9A32.4Very low35Very low105 Ų105137.3 Ų137.387%0.86884%0.84SS**  trans-115.2134.9170.400000110.7
10L33.6Very low35.1Very low174 Ų174138 Ų13891%0.91184%0.837SS**  trans-130.4149-178.7-98.9163.4000111.1
11C32.8Very low35.5Very low135 Ų135139.3 Ų139.391%0.91284%0.839SS**  trans-41.6149.1-177.8-90.20000117.7
12G29.3Very low36.2Very low75 Ų75133 Ų13377%0.77381%0.814SS**  trans-169.595.3165.900000115.4
13A34.6Very low36.4Very low92 Ų92131.6 Ų131.676%0.7681%0.812SS**  trans44.2109.8155.600000121.1L15A13-L15 PolarHBondContact O-N 3.2Å
14L34.8Very low37.6Very low176 Ų176127.2 Ų127.292%0.92181%0.806SS**  trans-71119.9147.4-97.276.5000109.1
15L36.7Very low38.5Very low167 Ų167125.5 Ų125.587%0.87479%0.79SS**  trans-87.5114.8164-80.5164.8000109.3A13 A17A13-L15 PolarHBondContact O-N 3.2Å; L15-A17 PolarHBondContact O-N 3.07Å
16C34.7Very low40.3Very low121 Ų121122.8 Ų122.882%0.81877%0.767SS**  trans-67.1113.1164.2-72.20000108.7
17A33.9Very low42.2Very low91 Ų91116.9 Ų116.975%0.75274%0.739SS**  trans-67.4125.5162.900000108.1L15 S19L15-A17 PolarHBondContact O-N 3.07Å; A17-S19 PolarHBondContact O-N 3.22Å
18P39.8Very low44.2Very low109 Ų109112.6 Ų112.671%0.70872%0.723SS**  trans-64.8124.2171.627.2-31.9000107.9L20P18-L20 PolarHBondContact O-N 3.3Å
19S38.3Very low46.3Very low109 Ų109117.7 Ų117.776%0.76273%0.728SS**  trans-58107.1169.947.60000108.6A17 L21A17-S19 PolarHBondContact O-N 3.22Å; S19-L21 PolarHBondContact O-N 2.89Å
20L37.5Very low48.4Very low150 Ų150115.8 Ų115.879%0.78570%0.704SS**  trans-58.9104.1166.5-101.276.9000107.2P18 V22P18-L20 PolarHBondContact O-N 3.3Å; L20-V22 PolarHBondContact O-N 3.21Å
21L42.6Very low50.6Low167 Ų167109.3 Ų109.387%0.87467%0.672SS**  trans-61.591151.1-88149.7000105.8S19 A23S19-L21 PolarHBondContact O-N 2.89Å; L21-A23 PolarHBondContact O-N 2.99Å
22V43Very low53Low111 Ų111103.3 Ų103.367%0.67363%0.631SS**  trans-58.7110.3163.6176.60000105.1L20 L24L20-V22 PolarHBondContact O-N 3.21Å; V22-L24 PolarHBondContact O-N 3.12Å
23A52Low55.4Low89 Ų89105 Ų10574%0.73662%0.619SS**  trans-56.3112.2165.400000106.3L21 D25L21-A23 PolarHBondContact O-N 2.99Å; A23-D25 VanDerWaalsContact C-N 3.33Å; A23-D25 PolarHBondContact O-N 2.63Å
24L56.8Low57.5Low144 Ų144104.1 Ų104.175%0.75460%0.602SS**  trans-64.9100.2170.2-87.9145.1000106.2V22 I26V22-L24 PolarHBondContact O-N 3.12Å; L24-I26 WeakPolarHBondContact O-CG1 3.29Å; L24-I26 PolarHBondContact O-N 2.83Å
25D64.8Low59.4Low85 Ų8598.3 Ų98.346%0.45558%0.584SS.*  trans-56.9106.2163.2168.9-3.7000106.6A23 C27 S28 E40A23-D25 VanDerWaalsContact C-N 3.33Å; A23-D25 PolarHBondContact O-N 2.63Å; D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.23Å; D25-C27 PolarHBondContact OD1-N 3.29Å; D25-S28 WeakPolarHBondContact O-CB 3.34Å; D25-S28 PolarHBondContact O-N 2.54Å; D25-S28 PolarHBondContact OD1-N 3.21Å; D25-E40 WeakPolarHBondContact CA-OE1 3.38Å
26I68.3Low61.6Low54 Ų5490.4 Ų90.428%0.27754%0.543SS..G310 helixtrans-73.2-29.8-173.7-60.4176.5000109L24 S28 P31 E40 P51 Y53L24-I26 WeakPolarHBondContact O-CG1 3.29Å; L24-I26 PolarHBondContact O-N 2.83Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.7Å; I26-P31 HydrophobicContact CG2-CG 4.37Å; I26-P31 WeakPolarHBondContact O-CD 3.07Å; I26-E40 PolarHBondContact N-OE1 3.06Å; I26-P51 HydrophobicContact CD1-CB 4.18Å; I26-P51 HydrophobicContact CD1-CG 3.89Å; I26-P51 WeakPolarHBondContact CD1-O 3.48Å; I26-Y53 HydrophobicContact CB-CD1 4.41Å; I26-Y53 HydrophobicContact CD1-CD1 4.46Å; I26-Y53 HydrophobicContact CG2-CD1 3.45Å; I26-Y53 VanDerWaalsContact CG2-CD1 3.45Å; I26-Y53 HydrophobicContact CG2-CE1 3.78Å; I26-Y53 HydrophobicContact CG2-CG 4.02Å
27C74.8Confident63.9Low28 Ų2889.4 Ų89.419%0.18953%0.529CS..G310 helixtrans-77.4-12.2176.4-66.40000113.8D25 K29 N30 C38 E40D25-C27 VanDerWaalsContact C-N 3.26Å; D25-C27 WeakPolarHBondContact OD1-CA 3.23Å; D25-C27 PolarHBondContact OD1-N 3.29Å; C27-K29 PolarHBondContact O-N 3.37Å; C27-K29 VanDerWaalsContact O-N 3.12Å; C27-N30 WeakPolarHBondContact O-CA 3.28Å; C27-N30 PolarHBondContact O-N 3.18Å; C27-C38 WeakPolarHBondContact CA-SG 3.49Å; C27-C38 HydrophobicContact CB-CB 3.64Å; C27-C38 WeakPolarHBondContact CB-SG 3.36Å; C27-C38 WeakPolarHBondContact SG-CB 3.36Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 2.82Å; C27-E40 HydrophobicContact CB-CG 4.26Å; C27-E40 VanDerWaalsContact SG-CG 3.52Å
28S75.5Confident66.3Low89 Ų8986 Ų8662%0.62250%0.499SS*.G310 helixtrans-53.9-33.9-179.1-171.40000114.3D25 I26D25-S28 WeakPolarHBondContact O-CB 3.34Å; D25-S28 PolarHBondContact O-N 2.54Å; D25-S28 PolarHBondContact OD1-N 3.21Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.7Å
29K75.8Confident68.4Low200 Ų20085.8 Ų85.887%0.8749%0.487SS*.G310 helixtrans-100.70.9174.1-74.8-170.8176.2-179.40114.5C27C27-K29 PolarHBondContact O-N 3.37Å; C27-K29 VanDerWaalsContact O-N 3.12Å
30N77.1Confident70.4Confident66 Ų6685 Ų8535%0.35347%0.471SS..  trans44.291.8-168.8-168.27.3000113.9C27 C32 G36 C38C27-N30 WeakPolarHBondContact O-CA 3.28Å; C27-N30 PolarHBondContact O-N 3.18Å; N30-C32 PolarHBondContact O-N 3.28Å; N30-C32 VanDerWaalsContact O-N 3.15Å; N30-C32 VanDerWaalsContact OD1-CB 3.27Å; N30-C32 WeakPolarHBondContact OD1-CB 3.46Å; N30-C32 PolarHBondContact OD1-N 3.02Å; N30-C32 VanDerWaalsContact OD1-N 3.16Å; N30-C32 PolarHBondContact OD1-SG 3.27Å; N30-C32 VanDerWaalsContact OD1-SG 3.35Å; N30-G36 PolarHBondContact ND2-O 2.85Å; N30-C38 WeakPolarHBondContact OD1-CB 3.2Å
31P79.8Confident72Confident37 Ų3781.5 Ų81.524%0.2445%0.452CS..  trans-67.6-8.1177.729.4-37.1000114I26 Y53I26-P31 HydrophobicContact CG2-CG 4.37Å; I26-P31 WeakPolarHBondContact O-CD 3.07Å; P31-Y53 HydrophobicContact CB-CE2 3.75Å; P31-Y53 HydrophobicContact CG-CD2 3.59Å; P31-Y53 HydrophobicContact CG-CE1 4.3Å; P31-Y53 HydrophobicContact CG-CE2 3.21Å; P31-Y53 HydrophobicContact CG-CG 4.27Å
32C82.3Confident72.8Confident9 Ų978.1 Ų78.16%0.06144%0.443CS..  trans-81.1127.8-179.9-45.90000111.2N30 G36 C38 C55 H65N30-C32 PolarHBondContact O-N 3.28Å; N30-C32 VanDerWaalsContact O-N 3.15Å; N30-C32 VanDerWaalsContact OD1-CB 3.27Å; N30-C32 WeakPolarHBondContact OD1-CB 3.46Å; N30-C32 PolarHBondContact OD1-N 3.02Å; N30-C32 VanDerWaalsContact OD1-N 3.16Å; N30-C32 PolarHBondContact OD1-SG 3.27Å; N30-C32 VanDerWaalsContact OD1-SG 3.35Å; C32-G36 WeakPolarHBondContact CB-O 3.42Å; C32-C38 VanDerWaalsContact SG-CA 3.52Å; C32-C55 VanDerWaalsContact CA-SG 3.54Å; C32-C55 HydrophobicContact CB-CB 3.76Å; C32-C55 WeakPolarHBondContact CB-SG 3.48Å; C32-C55 WeakPolarHBondContact SG-CA 3.46Å; C32-C55 WeakPolarHBondContact SG-CB 3.39Å; C32-C55 CovalentContact SG-SG 2.03Å; C32-C55 PolarHBondContact SG-SG 3.41Å; C32-H65 CarbonylContact C-O 3.49Å
33H80Confident73.3Confident110 Ų11079.3 Ų79.351%0.50944%0.441SS..SBendtrans-76.2169.7175.6-66.3-77000112.5G35 G36 H65 C66 E67H33-G35 PolarHBondContact O-N 2.91Å; H33-G36 PolarHBondContact O-N 2.77Å; H33-H65 WeakPolarHBondContact CB-O 3.22Å; H33-H65 PolarHBondContact N-O 2.96Å; H33-C66 WeakPolarHBondContact O-CB 3.22Å; H33-E67 HydrophobicContact CB-CB 4.41Å
34N78.8Confident73.4Confident75 Ų7584 Ų8440%0.40145%0.448SS..THydrogen-bonded Turntrans53.426.5171.7-59-45.6000115.6Y61 C66 E67N34-Y61 HydrophobicContact CB-CD1 3.49Å; N34-Y61 VanDerWaalsContact CB-CD1 3.49Å; N34-Y61 HydrophobicContact CB-CD2 4.26Å; N34-Y61 HydrophobicContact CB-CE1 3.52Å; N34-Y61 HydrophobicContact CB-CE2 4.27Å; N34-Y61 HydrophobicContact CB-CG 3.88Å; N34-Y61 VanDerWaalsContact CG-CE1 3.42Å; N34-Y61 WeakPolarHBondContact ND2-CD1 3.27Å; N34-C66 PolarHBondContact ND2-O 3.07Å; N34-E67 PolarHBondContact ND2-O 3.3Å
35G75.2Confident72.9Confident53 Ų5382.5 Ų82.555%0.54645%0.445SS..THydrogen-bonded Turntrans80.911-17900000114.7H33 L58H33-G35 PolarHBondContact O-N 2.91Å; G35-L58 WeakPolarHBondContact O-CD1 3.3Å
36G81.9Confident71.8Confident1 Ų189.7 Ų89.71%0.0147%0.465CS..PPolyproline II helixtrans-56.9149.5169.900000111.9N30 C32 H33 T56N30-G36 PolarHBondContact ND2-O 2.85Å; C32-G36 WeakPolarHBondContact CB-O 3.42Å; H33-G36 PolarHBondContact O-N 2.77Å; G36-T56 WeakPolarHBondContact CA-O 3.03Å
37L84.3Confident70.7Confident101 Ų10190.2 Ų90.253%0.52948%0.484SS..EExtended strand (participates in β ladder)trans-103.2120.1-177.1-177.6141.5000110.3K39 T56L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CD2-CG 3.83Å; L37-T56 PolarHBondContact N-O 3.42Å; L37-T56 PolarHBondContact O-N 2.84Å; L37-T56 PolarHBondContact O-OG1 2.71Å; L37-T56 VanDerWaalsContact O-OG1 3.13Å
38C84.8Confident69.3Low18 Ų1896.9 Ų96.912%0.12252%0.518CS..EExtended strand (participates in β ladder)trans-74.7137.1177.2-174.90000111.4C27 N30 C32C27-C38 WeakPolarHBondContact CA-SG 3.49Å; C27-C38 HydrophobicContact CB-CB 3.64Å; C27-C38 WeakPolarHBondContact CB-SG 3.36Å; C27-C38 WeakPolarHBondContact SG-CB 3.36Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 2.82Å; N30-C38 WeakPolarHBondContact OD1-CB 3.2Å; C32-C38 VanDerWaalsContact SG-CA 3.52Å
39K83.3Confident68Low106 Ų10697.2 Ų97.246%0.46152%0.516SS..EExtended strand (participates in β ladder)trans-128.7127.5170.5-59.8-176.9-177.7178.90108.9L37 Y53 T54 T56L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CD2-CG 3.83Å; K39-Y53 CarbonylContact O-C 3.58Å; K39-Y53 WeakPolarHBondContact O-CA 3.21Å; K39-T54 HydrophobicContact CB-CG2 4.05Å; K39-T54 PolarHBondContact N-O 2.93Å; K39-T54 PolarHBondContact O-N 3.21Å; K39-T56 HydrophobicContact CD-CG2 4.14Å
40E79.1Confident66.8Low92 Ų9296.4 Ų96.443%0.4351%0.513SS..EExtended strand (participates in β ladder)trans-74.5137172.2-59.8-161.3137.400110.5D25 I26 C27D25-E40 WeakPolarHBondContact CA-OE1 3.38Å; I26-E40 PolarHBondContact N-OE1 3.06Å; C27-E40 HydrophobicContact CB-CG 4.26Å; C27-E40 VanDerWaalsContact SG-CG 3.52Å
41I72.9Confident65.7Low76 Ų7696.6 Ų96.639%0.3952%0.518SS..EExtended strand (participates in β ladder)trans-101.490170.1-55.1173000106.6Q43 S52 T54I41-Q43 PolarHBondContact O-N 3.33Å; I41-Q43 VanDerWaalsContact O-N 3.15Å; I41-S52 WeakPolarHBondContact CA-O 3.28Å; I41-S52 WeakPolarHBondContact CB-O 3.34Å; I41-S52 PolarHBondContact N-O 2.8Å; I41-T54 HydrophobicContact CD1-CG2 3.98Å; I41-T54 HydrophobicContact CG1-CG2 4Å
42S58.3Low65Low97 Ų9797.2 Ų97.268%0.67852%0.523SS*.  trans-71.8100.7170.154.90000109.8E44S42-E44 PolarHBondContact O-N 3.17Å
43Q54.5Low64.8Low135 Ų135100.3 Ų100.363%0.63153%0.534SS*.  trans-74.2106.8163.3-71.3-165.9-1000108.7I41 V45I41-Q43 PolarHBondContact O-N 3.33Å; I41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-V45 PolarHBondContact O-N 2.85Å
44E53.6Low64.7Low188 Ų18898 Ų9888%0.87953%0.528SS*.  trans-72.749.2177.7-65.2-169.1142.300113.2S42S42-E44 PolarHBondContact O-N 3.17Å
45V45.9Very low64.8Low113 Ų11394.9 Ų94.969%0.68551%0.512SS*.SBendtrans-137.9111.5171.2-172.90000110.8Q43Q43-V45 PolarHBondContact O-N 2.85Å
46R41.8Very low65Low235 Ų23595.1 Ų95.189%0.88750%0.502SS*.  trans43.8122.9146.8-151.2176.1-165.5-177.83.2117.2
47G45.8Very low64.7Low66 Ų6697.1 Ų97.168%0.6852%0.516SS*.SBendtrans-39.9149-173.300000117.2
48D44.8Very low64.3Low168 Ų16896.9 Ų96.990%0.89852%0.515SS*.SBendtrans104.49.8-179.8-51.8-14.8000115.8
49V47.5Very low63.4Low95 Ų95103.8 Ų103.858%0.57655%0.545SS*.  trans-112.6126.7169.4-173.40000110.7
50F50.1Low62.6Low183 Ų183100.2 Ų100.280%0.80354%0.538SS*.PPolyproline II helixtrans-65.8141.3175.2-64.9-91.8000110.8S52F50-S52 PolarHBondContact O-N 2.97Å
51P54.8Low62.3Low70 Ų7099.5 Ų99.546%0.45553%0.532SS..PPolyproline II helixtrans-59.7129.2170.920.2-25.5000109.5I26I26-P51 HydrophobicContact CD1-CB 4.18Å; I26-P51 HydrophobicContact CD1-CG 3.89Å; I26-P51 WeakPolarHBondContact CD1-O 3.48Å
52S65.1Low62Low51 Ų5196.1 Ų96.136%0.35752%0.516SS..EExtended strand (participates in β ladder)trans-98.5151174.358.30000108.8I41 F50I41-S52 WeakPolarHBondContact CA-O 3.28Å; I41-S52 WeakPolarHBondContact CB-O 3.34Å; I41-S52 PolarHBondContact N-O 2.8Å; F50-S52 PolarHBondContact O-N 2.97Å
53Y77.4Confident62.3Low73 Ų7391.5 Ų91.529%0.28648%0.484SS..EExtended strand (participates in β ladder)trans-125.7159.5176.769.8-82.9000110.1I26 P31 K39 H65I26-Y53 HydrophobicContact CB-CD1 4.41Å; I26-Y53 HydrophobicContact CD1-CD1 4.46Å; I26-Y53 HydrophobicContact CG2-CD1 3.45Å; I26-Y53 VanDerWaalsContact CG2-CD1 3.45Å; I26-Y53 HydrophobicContact CG2-CE1 3.78Å; I26-Y53 HydrophobicContact CG2-CG 4.02Å; P31-Y53 HydrophobicContact CB-CE2 3.75Å; P31-Y53 HydrophobicContact CG-CD2 3.59Å; P31-Y53 HydrophobicContact CG-CE1 4.3Å; P31-Y53 HydrophobicContact CG-CE2 3.21Å; P31-Y53 HydrophobicContact CG-CG 4.27Å; K39-Y53 CarbonylContact O-C 3.58Å; K39-Y53 WeakPolarHBondContact O-CA 3.21Å; Y53-H65 AromaticContact CE2-CE1 3.78Å; Y53-H65 AromaticContact CE2-ND1 3.63Å; Y53-H65 AromaticContact CZ-CE1 3.64Å; Y53-H65 AromaticContact CZ-ND1 3.9Å; Y53-H65 PolarHBondContact OH-CE1 2.8Å; Y53-H65 PolarHBondContact OH-ND1 2.7Å
54T78.3Confident62.8Low63 Ų6387.6 Ų87.639%0.38747%0.471SS..EExtended strand (participates in β ladder)trans-130.9148171.7-176.40000110.3K39 I41K39-T54 HydrophobicContact CB-CG2 4.05Å; K39-T54 PolarHBondContact N-O 2.93Å; K39-T54 PolarHBondContact O-N 3.21Å; I41-T54 HydrophobicContact CD1-CG2 3.98Å; I41-T54 HydrophobicContact CG1-CG2 4Å
55C80.4Confident63.7Low9 Ų981.6 Ų81.66%0.06144%0.443CS..EExtended strand (participates in β ladder)trans-105125.2177.9-700000109.7C32 S64C32-C55 VanDerWaalsContact CA-SG 3.54Å; C32-C55 HydrophobicContact CB-CB 3.76Å; C32-C55 WeakPolarHBondContact CB-SG 3.48Å; C32-C55 WeakPolarHBondContact SG-CA 3.46Å; C32-C55 WeakPolarHBondContact SG-CB 3.39Å; C32-C55 CovalentContact SG-SG 2.03Å; C32-C55 PolarHBondContact SG-SG 3.41Å; C55-S64 WeakPolarHBondContact CB-O 3.45Å
56T79.4Confident65Low57 Ų5776.2 Ų76.235%0.3541%0.411SS..EExtended strand (participates in β ladder)trans-94.7115.9166.950.10000109.6G36 L37 K39G36-T56 WeakPolarHBondContact CA-O 3.03Å; L37-T56 PolarHBondContact N-O 3.42Å; L37-T56 PolarHBondContact O-N 2.84Å; L37-T56 PolarHBondContact O-OG1 2.71Å; L37-T56 VanDerWaalsContact O-OG1 3.13Å; K39-T56 HydrophobicContact CD-CG2 4.14Å
57C76.4Confident66.4Low44 Ų4468.4 Ų68.430%0.29738%0.384SS..PPolyproline II helixtrans-82.4150.6-172.9-52.90000113.3Y61 C66C57-Y61 WeakPolarHBondContact CB-O 3.48Å; C57-C66 WeakPolarHBondContact CA-SG 3.39Å; C57-C66 HydrophobicContact CB-CB 3.71Å; C57-C66 WeakPolarHBondContact CB-SG 3.12Å; C57-C66 PolarHBondContact N-SG 3.26Å; C57-C66 WeakPolarHBondContact SG-CA 3.39Å; C57-C66 WeakPolarHBondContact SG-CB 3.06Å; C57-C66 CovalentContact SG-SG 2.04Å; C57-C66 PolarHBondContact SG-SG 2.55Å
58L75.8Confident67.3Low96 Ų9668.3 Ų68.350%0.50337%0.367SS..PPolyproline II helixtrans-73.5157.2168.6-67176000110.5G35 G60 Y61G35-L58 WeakPolarHBondContact O-CD1 3.3Å; L58-G60 PolarHBondContact O-N 2.99Å; L58-Y61 HydrophobicContact CB-CD2 4.34Å; L58-Y61 PolarHBondContact O-N 2.86Å
59E66.8Low68.6Low162 Ų16265.2 Ų65.276%0.75735%0.345SS*.THydrogen-bonded Turntrans-54.1136178.8-67.5-177.7162.100112Y61E59-Y61 VanDerWaalsContact C-N 3.32Å
60G66.4Low70.1Confident31 Ų3160.9 Ų60.932%0.3232%0.319SS..THydrogen-bonded Turntrans78.78.3-174.400000115.1L58 K69 C70L58-G60 PolarHBondContact O-N 2.99Å; G60-K69 CarbonylContact O-C 3.44Å; G60-K69 WeakPolarHBondContact O-CA 3.44Å; G60-K69 WeakPolarHBondContact O-CG 3.27Å; G60-C70 PolarHBondContact O-N 3.21Å
61Y72Confident71.8Confident77 Ų7754.9 Ų54.930%0.30230%0.295SS..EExtended strand (participates in β ladder)trans-126152.2170.2-62-85.2000112.3N34 C57 L58 E59 M68 K69N34-Y61 HydrophobicContact CB-CD1 3.49Å; N34-Y61 VanDerWaalsContact CB-CD1 3.49Å; N34-Y61 HydrophobicContact CB-CD2 4.26Å; N34-Y61 HydrophobicContact CB-CE1 3.52Å; N34-Y61 HydrophobicContact CB-CE2 4.27Å; N34-Y61 HydrophobicContact CB-CG 3.88Å; N34-Y61 VanDerWaalsContact CG-CE1 3.42Å; N34-Y61 WeakPolarHBondContact ND2-CD1 3.27Å; C57-Y61 WeakPolarHBondContact CB-O 3.48Å; L58-Y61 HydrophobicContact CB-CD2 4.34Å; L58-Y61 PolarHBondContact O-N 2.86Å; E59-Y61 VanDerWaalsContact C-N 3.32Å; Y61-M68 CarbonylContact C-O 3.48Å; Y61-M68 WeakPolarHBondContact CA-O 3.25Å; Y61-K69 HydrophobicContact CD1-CB 4.27Å; Y61-K69 HydrophobicContact CD1-CG 4.24Å; Y61-K69 HydrophobicContact CE1-CB 4.15Å; Y61-K69 HydrophobicContact CE1-CG 3.89Å
62A66.7Low73.3Confident6 Ų657 Ų575%0.0530%0.299CS..EExtended strand (participates in β ladder)trans-152.5174.9-177.800000111.5C66 E67 M68 C70 C225A62-C66 CarbonylContact O-C 3.48Å; A62-C66 WeakPolarHBondContact O-CA 3.35Å; A62-E67 PolarHBondContact O-N 2.75Å; A62-M68 PolarHBondContact N-O 2.86Å; A62-M68 WeakPolarHBondContact O-CB 3.23Å; A62-M68 PolarHBondContact O-N 3.16Å; A62-C70 HydrophobicContact CB-CB 4.3Å; A62-C225 WeakPolarHBondContact CB-SG 3.04Å
63G63.9Low74.5Confident0 Ų057.4 Ų57.40%030%0.3CS..SBendtrans100.2160.1-175.500000112.1H65 C66 M68 D228G63-H65 PolarHBondContact O-N 3.2Å; G63-C66 PolarHBondContact O-N 2.83Å; G63-M68 VanDerWaalsContact CA-CE 3.49Å; G63-D228 VanDerWaalsContact CA-OD1 3.3Å; G63-D228 WeakPolarHBondContact CA-OD1 3.45Å; G63-D228 PolarHBondContact N-OD1 3.3Å
64S66.6Low75.1Confident53 Ų5355.2 Ų55.237%0.37129%0.293SS..THydrogen-bonded Turntrans-62.5-18.8-172.755.20000114C55C55-S64 WeakPolarHBondContact CB-O 3.45Å
65H71.4Confident75.7Confident62 Ų6252.2 Ų52.229%0.28728%0.275SS..THydrogen-bonded Turntrans-125.320.7173.7-51.7-43.6000112C32 H33 Y53 G63 E67C32-H65 CarbonylContact C-O 3.49Å; H33-H65 WeakPolarHBondContact CB-O 3.22Å; H33-H65 PolarHBondContact N-O 2.96Å; Y53-H65 AromaticContact CE2-CE1 3.78Å; Y53-H65 AromaticContact CE2-ND1 3.63Å; Y53-H65 AromaticContact CZ-CE1 3.64Å; Y53-H65 AromaticContact CZ-ND1 3.9Å; Y53-H65 PolarHBondContact OH-CE1 2.8Å; Y53-H65 PolarHBondContact OH-ND1 2.7Å; G63-H65 PolarHBondContact O-N 3.2Å; H65-E67 VanDerWaalsContact CA-OE2 3.22Å; H65-E67 WeakPolarHBondContact CA-OE2 3.16Å; H65-E67 WeakPolarHBondContact CB-OE2 3.35Å; H65-E67 PolarHBondContact N-OE2 2.78Å; H65-E67 PolarHBondContact O-N 2.95Å
66C73.8Confident76.3Confident0 Ų051.8 Ų51.80%027%0.272CS..SBendtrans57.326-178.9-48.90000114.4H33 N34 C57 A62 G63H33-C66 WeakPolarHBondContact O-CB 3.22Å; N34-C66 PolarHBondContact ND2-O 3.07Å; C57-C66 WeakPolarHBondContact CA-SG 3.39Å; C57-C66 HydrophobicContact CB-CB 3.71Å; C57-C66 WeakPolarHBondContact CB-SG 3.12Å; C57-C66 PolarHBondContact N-SG 3.26Å; C57-C66 WeakPolarHBondContact SG-CA 3.39Å; C57-C66 WeakPolarHBondContact SG-CB 3.06Å; C57-C66 CovalentContact SG-SG 2.04Å; C57-C66 PolarHBondContact SG-SG 2.55Å; A62-C66 CarbonylContact O-C 3.48Å; A62-C66 WeakPolarHBondContact O-CA 3.35Å; G63-C66 PolarHBondContact O-N 2.83Å
67E70Confident76.9Confident70 Ų7053.4 Ų53.433%0.32728%0.276SS..  trans-75.2-24.6-174.169.3-79.1-171.400113.5H33 N34 A62 H65H33-E67 HydrophobicContact CB-CB 4.41Å; N34-E67 PolarHBondContact ND2-O 3.3Å; A62-E67 PolarHBondContact O-N 2.75Å; H65-E67 VanDerWaalsContact CA-OE2 3.22Å; H65-E67 WeakPolarHBondContact CA-OE2 3.16Å; H65-E67 WeakPolarHBondContact CB-OE2 3.35Å; H65-E67 PolarHBondContact N-OE2 2.78Å; H65-E67 PolarHBondContact O-N 2.95Å
68M65.7Low77.2Confident65 Ų6554.7 Ų54.732%0.3228%0.279SS..EExtended strand (participates in β ladder)trans-93139.9-178.8-60.3-173.9-82.600111.3Y61 A62 G63Y61-M68 CarbonylContact C-O 3.48Å; Y61-M68 WeakPolarHBondContact CA-O 3.25Å; A62-M68 PolarHBondContact N-O 2.86Å; A62-M68 WeakPolarHBondContact O-CB 3.23Å; A62-M68 PolarHBondContact O-N 3.16Å; G63-M68 VanDerWaalsContact CA-CE 3.49Å
69K72.1Confident77.6Confident102 Ų10251.1 Ų51.144%0.44327%0.266SS..EExtended strand (participates in β ladder)trans-89.2119.9169-159.7-174.9-179.3-176.60108.7G60 Y61 I71G60-K69 CarbonylContact O-C 3.44Å; G60-K69 WeakPolarHBondContact O-CA 3.44Å; G60-K69 WeakPolarHBondContact O-CG 3.27Å; Y61-K69 HydrophobicContact CD1-CB 4.27Å; Y61-K69 HydrophobicContact CD1-CG 4.24Å; Y61-K69 HydrophobicContact CE1-CB 4.15Å; Y61-K69 HydrophobicContact CE1-CG 3.89Å; K69-I71 HydrophobicContact CD-CD1 3.8Å; K69-I71 HydrophobicContact CD-CG1 3.84Å; K69-I71 VanDerWaalsContact CE-CD1 3.48Å; K69-I71 HydrophobicContact CG-CD1 4.44Å; K69-I71 HydrophobicContact CG-CG1 4Å; K69-I71 PolarHBondContact O-N 2.86Å
70C79.8Confident78.5Confident5 Ų545.1 Ų45.13%0.03424%0.239CC..THydrogen-bonded Turntrans-80.550.9-173.5-163.20000113G60 A62 T139 G224 C225G60-C70 PolarHBondContact O-N 3.21Å; A62-C70 HydrophobicContact CB-CB 4.3Å; C70-T139 HydrophobicContact CB-CG2 4.28Å; C70-T139 WeakPolarHBondContact O-CB 3.3Å; C70-T139 WeakPolarHBondContact O-CG2 3.43Å; C70-T139 PolarHBondContact O-OG1 3Å; C70-T139 VanDerWaalsContact SG-CG2 3.58Å; C70-G224 CarbonylContact C-O 3.52Å; C70-C225 HydrophobicContact CB-CB 3.85Å; C70-C225 WeakPolarHBondContact CB-SG 3.43Å; C70-C225 WeakPolarHBondContact SG-CB 3.07Å; C70-C225 PolarHBondContact SG-N 3.23Å; C70-C225 CovalentContact SG-SG 2.04Å; C70-C225 PolarHBondContact SG-SG 2.96Å
71I85.3Confident79.7Confident56 Ų5644 Ų4429%0.28723%0.225SC..THydrogen-bonded Turntrans-135.221.917564.4166.7000111.8K69 L195K69-I71 HydrophobicContact CD-CD1 3.8Å; K69-I71 HydrophobicContact CD-CG1 3.84Å; K69-I71 VanDerWaalsContact CE-CD1 3.48Å; K69-I71 HydrophobicContact CG-CD1 4.44Å; K69-I71 HydrophobicContact CG-CG1 4Å; K69-I71 PolarHBondContact O-N 2.86Å; I71-L195 HydrophobicContact CG2-CD2 4.43Å
72E85.4Confident80.4Confident115 Ų11542 Ų4254%0.53723%0.226SC..EExtended strand (participates in β ladder)trans-73.8148.6-178.3-66.8-59.1136.500111L74 L223 G224E72-L74 PolarHBondContact O-N 2.91Å; E72-L223 WeakPolarHBondContact O-CA 3.49Å; E72-G224 PolarHBondContact N-O 3.15Å; E72-G224 PolarHBondContact O-N 3.06Å
73P90.5Very high81.6Confident59 Ų5945.8 Ų45.838%0.38325%0.245SC..EExtended strand (participates in β ladder)trans-68.7118.8177.428-33.8000110.8G75 E221P73-G75 PolarHBondContact O-N 3.46Å; P73-E221 HydrophobicContact CB-CG 3.69Å
74L90.7Very high82.8Confident28 Ų2851 Ų5115%0.14728%0.281CS..  trans-68.6-22.5-177.1-61.2-172.5000112.7E72 I81 L132 M136 V138 L222E72-L74 PolarHBondContact O-N 2.91Å; L74-I81 HydrophobicContact CB-CD1 4.21Å; L74-L132 HydrophobicContact CD1-CD1 4.11Å; L74-L132 HydrophobicContact CD1-CD2 4.04Å; L74-M136 HydrophobicContact CD2-CE 3.82Å; L74-V138 HydrophobicContact CD1-CG2 4.33Å; L74-L222 HydrophobicContact CB-CB 4.22Å; L74-L222 HydrophobicContact CD1-CB 3.91Å; L74-L222 HydrophobicContact CG-CB 4.24Å; L74-L222 WeakPolarHBondContact CG-O 3.32Å; L74-L222 PolarHBondContact N-O 3.02Å
75G90.7Very high84.2Confident0 Ų049.4 Ų49.40%027%0.268CS..SBendtrans123.335.5157.400000116P73 N78 G79 N80 I81 E221P73-G75 PolarHBondContact O-N 3.46Å; G75-N78 WeakPolarHBondContact CA-OD1 3.2Å; G75-N78 PolarHBondContact O-OD1 2.95Å; G75-G79 PolarHBondContact O-N 2.92Å; G75-N80 PolarHBondContact O-N 3.15Å; G75-I81 WeakPolarHBondContact O-CB 3.27Å; G75-I81 PolarHBondContact O-N 3.21Å; G75-E221 PolarHBondContact N-OE1 3.15Å
76M93.8Very high85.4Confident0 Ų046.6 Ų46.60%026%0.255CS..THydrogen-bonded Turntrans-62.8-45.6164.4-64.4-67.8-71.100110.8I81 I86 R107 V130 F220 E221M76-I81 HydrophobicContact CG-CD1 4.04Å; M76-I81 HydrophobicContact SD-CB 4.33Å; M76-I81 HydrophobicContact SD-CD1 3.96Å; M76-I81 HydrophobicContact SD-CG2 4Å; M76-I86 HydrophobicContact CE-CD1 3.75Å; M76-I86 HydrophobicContact CE-CG1 4.34Å; M76-I86 HydrophobicContact CE-CG2 4.41Å; M76-I86 HydrophobicContact SD-CD1 3.98Å; M76-I86 HydrophobicContact SD-CG1 4.3Å; M76-R107 VanDerWaalsContact O-CB 3.32Å; M76-R107 WeakPolarHBondContact O-CB 3.46Å; M76-R107 WeakPolarHBondContact O-CD 3.43Å; M76-R107 WeakPolarHBondContact O-CG 3.46Å; M76-R107 PolarHBondContact O-NH1 3.5Å; M76-V130 HydrophobicContact CE-CG2 4.3Å; M76-V130 HydrophobicContact SD-CG1 4.35Å; M76-V130 HydrophobicContact SD-CG2 3.89Å; M76-F220 VanDerWaalsContact CB-O 3.22Å; M76-F220 WeakPolarHBondContact CB-O 3.32Å; M76-F220 HydrophobicContact CE-CD1 4.14Å; M76-F220 HydrophobicContact CE-CD2 4.49Å; M76-F220 HydrophobicContact CE-CE1 3.6Å; M76-F220 HydrophobicContact CE-CE2 4Å; M76-F220 HydrophobicContact CE-CZ 3.54Å; M76-F220 HydrophobicContact CG-CE2 4.46Å; M76-F220 HydrophobicContact SD-CE2 4.47Å; M76-F220 HydrophobicContact SD-CZ 4.41Å; M76-E221 HydrophobicContact CB-CB 4.47Å; M76-E221 WeakPolarHBondContact CB-OE1 3.3Å; M76-E221 WeakPolarHBondContact CG-OE1 3.41Å; M76-E221 VanDerWaalsContact N-CD 3.26Å; M76-E221 PolarHBondContact N-OE1 3.02Å; M76-E221 PolarHBondContact N-OE2 3.43Å
77E91.3Very high86.5Confident91 Ų9149.4 Ų49.443%0.42527%0.272SS..THydrogen-bonded Turntrans-70.6-53.1-177.3-177.2166.1-16600112G79 L108 N109 E221E77-G79 VanDerWaalsContact C-N 3.28Å; E77-G79 PolarHBondContact O-N 2.68Å; E77-L108 HydrophobicContact CB-CB 4.23Å; E77-N109 WeakPolarHBondContact OE1-CB 3.47Å; E77-N109 PolarHBondContact OE1-ND2 3.22Å; E77-E221 PolarHBondContact N-OE2 3.04Å
78N82.7Confident87.7Confident70 Ų7047.2 Ų47.237%0.37427%0.266SS..THydrogen-bonded Turntrans-77.2-7.1-175.262.628.9000114.7G75 N80G75-N78 WeakPolarHBondContact CA-OD1 3.2Å; G75-N78 PolarHBondContact O-OD1 2.95Å; N78-N80 PolarHBondContact ND2-ND2 2.78Å; N78-N80 VanDerWaalsContact OD1-CB 3.31Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.86Å; N78-N80 PolarHBondContact OD1-ND2 3.3Å
79G84.5Confident89.2Confident21 Ų2146.1 Ų46.122%0.21627%0.265CS..THydrogen-bonded Turntrans75.619179.400000114.9G75 E77 I81 K354G75-G79 PolarHBondContact O-N 2.92Å; E77-G79 VanDerWaalsContact C-N 3.28Å; E77-G79 PolarHBondContact O-N 2.68Å; G79-I81 VanDerWaalsContact C-N 3.3Å; G79-K354 PolarHBondContact O-NZ 3.49Å
80N85.7Confident90.3Very high37 Ų3742.4 Ų42.420%0.19825%0.251CS..  trans-67-35.3165.6-68.6-25.7000110.7G75 N78 A82 K355G75-N80 PolarHBondContact O-N 3.15Å; N78-N80 PolarHBondContact ND2-ND2 2.78Å; N78-N80 VanDerWaalsContact OD1-CB 3.31Å; N78-N80 WeakPolarHBondContact OD1-CB 3.31Å; N78-N80 PolarHBondContact OD1-N 2.86Å; N78-N80 PolarHBondContact OD1-ND2 3.3Å; N80-A82 PolarHBondContact O-N 2.92Å; N80-K355 HydrophobicContact CB-CB 4.48Å; N80-K355 PolarHBondContact OD1-N 3.22Å
81I90.2Very high90.9Very high6 Ų644.4 Ų44.43%0.03126%0.264CS..SBendtrans-79.4111.6166.7-61.2176.6000107.9L74 G75 M76 G79 Q85 I86 R107 V130 L132L74-I81 HydrophobicContact CB-CD1 4.21Å; G75-I81 WeakPolarHBondContact O-CB 3.27Å; G75-I81 PolarHBondContact O-N 3.21Å; M76-I81 HydrophobicContact CG-CD1 4.04Å; M76-I81 HydrophobicContact SD-CB 4.33Å; M76-I81 HydrophobicContact SD-CD1 3.96Å; M76-I81 HydrophobicContact SD-CG2 4Å; G79-I81 VanDerWaalsContact C-N 3.3Å; I81-Q85 HydrophobicContact CG2-CB 3.82Å; I81-I86 HydrophobicContact CG2-CD1 4.39Å; I81-I86 HydrophobicContact CG2-CG1 4.03Å; I81-R107 VanDerWaalsContact O-CZ 3.28Å; I81-R107 PolarHBondContact O-NH1 2.81Å; I81-R107 PolarHBondContact O-NH2 2.78Å; I81-V130 HydrophobicContact CD1-CG1 4Å; I81-V130 HydrophobicContact CG2-CG1 3.92Å; I81-L132 HydrophobicContact CD1-CD2 4.1Å
82A88.1Confident91.1Very high37 Ų3744.8 Ų44.831%0.30626%0.261SS..  trans-70158.7-178.900000112.3N80 S84 Q85N80-A82 PolarHBondContact O-N 2.92Å; A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.21Å; A82-Q85 HydrophobicContact CB-CG 4.44Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.5Å
83N91.4Very high91.2Very high84 Ų8442.8 Ų42.845%0.44926%0.257SS..G310 helixtrans-55.8-40.8177.8-77.24000112.7Q85 I86 E104 R107N83-Q85 PolarHBondContact O-N 2.94Å; N83-Q85 VanDerWaalsContact O-N 3.11Å; N83-I86 PolarHBondContact O-N 3.31Å; N83-I86 VanDerWaalsContact O-N 3.12Å; N83-E104 HydrophobicContact CB-CB 4.29Å; N83-E104 HydrophobicContact CB-CG 3.63Å; N83-R107 PolarHBondContact OD1-NH2 3.04Å
84S90.3Very high90.8Very high109 Ų10941 Ų4176%0.76225%0.245SC*.G310 helixtrans-66-8.3177.852.40000115.1A82A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.21Å
85Q94.3Very high90.2Very high20 Ų2046.3 Ų46.39%0.09327%0.267CS..G310 helixtrans-91.3-10.6175.5-69172.6-108.800113I81 A82 N83 V130 N131 L133I81-Q85 HydrophobicContact CG2-CB 3.82Å; A82-Q85 HydrophobicContact CB-CG 4.44Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.5Å; N83-Q85 PolarHBondContact O-N 2.94Å; N83-Q85 VanDerWaalsContact O-N 3.11Å; Q85-V130 WeakPolarHBondContact O-CA 3.4Å; Q85-N131 WeakPolarHBondContact CB-O 3.47Å; Q85-N131 WeakPolarHBondContact CG-O 3.41Å; Q85-N131 PolarHBondContact NE2-O 2.76Å; Q85-N131 PolarHBondContact O-N 3.1Å; Q85-L133 HydrophobicContact CG-CD1 4.04Å; Q85-L133 HydrophobicContact CG-CD2 4.18Å; Q85-L133 HydrophobicContact CG-CG 4.01Å
86I96.9Very high89.6Confident4 Ų454.9 Ų54.92%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-110.6122.3-173.9-42.7169.7000108.5M76 I81 N83 P103 I128 Q129M76-I86 HydrophobicContact CE-CD1 3.75Å; M76-I86 HydrophobicContact CE-CG1 4.34Å; M76-I86 HydrophobicContact CE-CG2 4.41Å; M76-I86 HydrophobicContact SD-CD1 3.98Å; M76-I86 HydrophobicContact SD-CG1 4.3Å; I81-I86 HydrophobicContact CG2-CD1 4.39Å; I81-I86 HydrophobicContact CG2-CG1 4.03Å; N83-I86 PolarHBondContact O-N 3.31Å; N83-I86 VanDerWaalsContact O-N 3.12Å; I86-P103 HydrophobicContact CB-CB 4.46Å; I86-P103 HydrophobicContact CG2-CB 3.81Å; I86-I128 HydrophobicContact CG2-CD1 4.13Å; I86-I128 HydrophobicContact CG2-CG1 4.15Å; I86-Q129 WeakPolarHBondContact CA-O 3.24Å
87T96.6Very high88.8Confident58 Ų5856.7 Ų56.736%0.35633%0.33SS..EExtended strand (participates in β ladder)trans-132.1161.3178.4600000110.5Q129T87-Q129 PolarHBondContact N-O 2.81Å; T87-Q129 PolarHBondContact O-N 2.91Å
88A96.9Very high88.2Confident25 Ų2558.5 Ų58.521%0.20734%0.342CS..EExtended strand (participates in β ladder)trans-143.5160.2177.700000111.6P103 W117 W127 I128A88-P103 HydrophobicContact CB-CB 4.05Å; A88-P103 HydrophobicContact CB-CG 4.11Å; A88-W117 HydrophobicContact CB-CZ2 3.95Å; A88-W127 CarbonylContact C-O 3.59Å; A88-W127 VanDerWaalsContact CA-O 3.28Å; A88-W127 WeakPolarHBondContact CA-O 3.39Å; A88-W127 WeakPolarHBondContact CB-O 3.41Å; A88-I128 HydrophobicContact CB-CB 4.43Å; A88-I128 HydrophobicContact CB-CG1 4.4Å
89S96.1Very high88.3Confident41 Ų4156.6 Ų56.629%0.28733%0.331SS..SBendtrans-57.6-46.9172.157.70000112.4D123 P126 W127S89-D123 VanDerWaalsContact CB-OD2 3.27Å; S89-D123 WeakPolarHBondContact CB-OD2 3.38Å; S89-D123 PolarHBondContact OG-OD2 3.18Å; S89-P126 VanDerWaalsContact OG-CA 3.32Å; S89-P126 WeakPolarHBondContact OG-CA 3.41Å; S89-W127 PolarHBondContact N-O 2.91Å; S89-W127 PolarHBondContact OG-N 3.15Å; S89-W127 PolarHBondContact OG-O 2.76Å
90S94.6Very high88.5Confident24 Ų2459.9 Ų59.917%0.16834%0.341CS..  trans-154167.7-175.970.40000111.6W117 P119 S120 D123S90-W117 PolarHBondContact O-NE1 2.92Å; S90-P119 WeakPolarHBondContact OG-CB 3.47Å; S90-S120 PolarHBondContact OG-N 2.78Å; S90-D123 VanDerWaalsContact CB-OD2 3.24Å; S90-D123 WeakPolarHBondContact CB-OD2 3.45Å; S90-D123 WeakPolarHBondContact OG-CB 3.47Å; S90-D123 PolarHBondContact OG-OD2 3.12Å
91V93.5Very high88.8Confident48 Ų4858.1 Ų58.129%0.29133%0.331SS..  trans-133.5135.4-180170.50000109.2V102V91-V102 HydrophobicContact CG1-CG1 3.93Å; V91-V102 HydrophobicContact CG2-CG1 4.48Å
92R90Very high88.9Confident63 Ų6359.7 Ų59.724%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-79.6120.2170.7-155-178.3179.5110.7-0.6110.4T94 W101 T118 P119R92-T94 HydrophobicContact CG-CG2 4.08Å; R92-W101 HydrophobicContact CB-CB 4.34Å; R92-W101 PolarHBondContact O-N 2.9Å; R92-T118 HydrophobicContact CB-CG2 4.06Å; R92-T118 WeakPolarHBondContact CB-O 3.21Å; R92-T118 PolarHBondContact N-O 2.8Å; R92-P119 WeakPolarHBondContact CB-O 3.43Å
93V87Confident89.3Confident74 Ų7458.5 Ų58.545%0.44833%0.331SS..EExtended strand (participates in β ladder)trans-101.8134.9168.3-174.50000108.7Q99V93-Q99 CarbonylContact C-O 3.56Å; V93-Q99 WeakPolarHBondContact CA-O 3.4Å
94T81.9Confident89.4Confident20 Ų2057.4 Ų57.412%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-138.7169.5-175.148.10000111R92 G97 L98 Q99 W101R92-T94 HydrophobicContact CG-CG2 4.08Å; T94-G97 PolarHBondContact O-N 2.91Å; T94-L98 PolarHBondContact O-N 2.76Å; T94-Q99 PolarHBondContact N-O 3.34Å; T94-Q99 PolarHBondContact O-N 2.86Å; T94-Q99 WeakPolarHBondContact OG1-CB 3.38Å; T94-Q99 PolarHBondContact OG1-O 2.87Å; T94-Q99 VanDerWaalsContact OG1-O 3.1Å; T94-W101 PolarHBondContact OG1-NE1 3.19Å
95F79Confident89.6Confident141 Ų14153.3 Ų53.362%0.61829%0.292SS*.G310 helixtrans50.665.2179.5-163.6-112.6000113.1G97 L98 Q99F95-G97 PolarHBondContact O-N 2.87Å; F95-L98 HydrophobicContact CD1-CB 4.02Å; F95-L98 HydrophobicContact CD1-CD1 3.71Å; F95-L98 HydrophobicContact CD1-CG 4.42Å; F95-L98 HydrophobicContact CE1-CD1 3.8Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 2.94Å; F95-Q99 HydrophobicContact CB-CB 4.39Å; F95-Q99 HydrophobicContact CB-CG 4.13Å
96L77.9Confident89.7Confident179 Ų17952.4 Ų52.494%0.93729%0.288SS*.G310 helixtrans53.228.3177.5-59.7174.9000115.4
97G77.1Confident89.6Confident38 Ų3853.1 Ų53.139%0.39229%0.29SS..G310 helixtrans95.85.4-179.600000115.1T94 F95 H100T94-G97 PolarHBondContact O-N 2.91Å; F95-G97 PolarHBondContact O-N 2.87Å; G97-H100 PolarHBondContact O-CD2 2.83Å; G97-H100 PolarHBondContact O-NE2 2.91Å
98L77.7Confident89.4Confident129 Ų12951 Ų5168%0.67528%0.277SS*.THydrogen-bonded Turntrans-97.9-21.1-174-60.8170.3000114.2T94 F95T94-L98 PolarHBondContact O-N 2.76Å; F95-L98 HydrophobicContact CD1-CB 4.02Å; F95-L98 HydrophobicContact CD1-CD1 3.71Å; F95-L98 HydrophobicContact CD1-CG 4.42Å; F95-L98 HydrophobicContact CE1-CD1 3.8Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 2.94Å
99Q84.4Confident89.1Confident30 Ų3053.6 Ų53.614%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-114.5109.4-179.8-74.8-174.5-800111.3V93 T94 F95 V114V93-Q99 CarbonylContact C-O 3.56Å; V93-Q99 WeakPolarHBondContact CA-O 3.4Å; T94-Q99 PolarHBondContact N-O 3.34Å; T94-Q99 PolarHBondContact O-N 2.86Å; T94-Q99 WeakPolarHBondContact OG1-CB 3.38Å; T94-Q99 PolarHBondContact OG1-O 2.87Å; T94-Q99 VanDerWaalsContact OG1-O 3.1Å; F95-Q99 HydrophobicContact CB-CB 4.39Å; F95-Q99 HydrophobicContact CB-CG 4.13Å; Q99-V114 HydrophobicContact CB-CG2 3.95Å; Q99-V114 HydrophobicContact CG-CG2 3.77Å
100H89.4Confident88.8Confident90 Ų9055.9 Ų55.942%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-111.8113-175.9-64-117.3000111G97 V102 V114G97-H100 PolarHBondContact O-CD2 2.83Å; G97-H100 PolarHBondContact O-NE2 2.91Å; H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 HydrophobicContact CB-CG1 3.8Å; H100-V102 PolarHBondContact O-N 2.87Å; H100-V102 VanDerWaalsContact O-N 3.07Å; H100-V114 WeakPolarHBondContact O-CG1 3.44Å
101W91.1Very high88.5Confident0 Ų058.9 Ų58.90%032%0.316CS..EExtended strand (participates in β ladder)trans-87.761.5-178.2-65.477.9000111.2R92 T94 V114 A116 W117 T118 A146 R148 T217R92-W101 HydrophobicContact CB-CB 4.34Å; R92-W101 PolarHBondContact O-N 2.9Å; T94-W101 PolarHBondContact OG1-NE1 3.19Å; W101-V114 HydrophobicContact CD2-CG1 3.67Å; W101-V114 HydrophobicContact CE3-CG1 4.01Å; W101-V114 HydrophobicContact CG-CG1 3.95Å; W101-V114 HydrophobicContact CH2-CG1 4.44Å; W101-V114 HydrophobicContact CZ2-CG1 4.15Å; W101-V114 HydrophobicContact CZ2-CG2 4.37Å; W101-V114 HydrophobicContact CZ3-CG1 4.38Å; W101-A116 HydrophobicContact CE3-CB 4Å; W101-A116 HydrophobicContact CZ3-CB 3.91Å; W101-W117 WeakPolarHBondContact O-CA 3.16Å; W101-W117 VanDerWaalsContact O-CD1 3.26Å; W101-T118 PolarHBondContact O-N 3.22Å; W101-T118 VanDerWaalsContact O-N 3.14Å; W101-A146 HydrophobicContact CZ3-CB 4.29Å; W101-R148 HydrophobicContact CH2-CB 4.44Å; W101-R148 HydrophobicContact CZ2-CB 4.17Å; W101-R148 HydrophobicContact CZ2-CG 4.07Å; W101-T217 HydrophobicContact CE3-CG2 4.2Å; W101-T217 HydrophobicContact CZ3-CG2 4.09Å
102V93.9Very high88.1Confident40 Ų4059.2 Ų59.224%0.24233%0.329CS..  trans-73.9153.1-170.1-59.20000113.7V91 H100 E104 L105V91-V102 HydrophobicContact CG1-CG1 3.93Å; V91-V102 HydrophobicContact CG2-CG1 4.48Å; H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 HydrophobicContact CB-CG1 3.8Å; H100-V102 PolarHBondContact O-N 2.87Å; H100-V102 VanDerWaalsContact O-N 3.07Å; V102-E104 VanDerWaalsContact C-N 3.25Å; V102-E104 WeakPolarHBondContact CB-OE2 3.38Å; V102-E104 HydrophobicContact CG2-CB 4.43Å; V102-E104 WeakPolarHBondContact CG2-OE2 3.15Å; V102-E104 PolarHBondContact O-N 3.21Å; V102-L105 HydrophobicContact CG2-CD1 4Å; V102-L105 HydrophobicContact CG2-CG 3.69Å; V102-L105 WeakPolarHBondContact O-CB 3.47Å; V102-L105 PolarHBondContact O-N 2.85Å
103P95.4Very high87.8Confident12 Ų1263.6 Ų63.68%0.07835%0.354CS..G310 helixtrans-51.6-35.9-179.715.1-30.3000115.1I86 A88 L105 A106 I128I86-P103 HydrophobicContact CB-CB 4.46Å; I86-P103 HydrophobicContact CG2-CB 3.81Å; A88-P103 HydrophobicContact CB-CB 4.05Å; A88-P103 HydrophobicContact CB-CG 4.11Å; P103-L105 PolarHBondContact O-N 3.21Å; P103-L105 VanDerWaalsContact O-N 3.09Å; P103-A106 WeakPolarHBondContact O-CB 3.46Å; P103-A106 PolarHBondContact O-N 3.37Å; P103-I128 HydrophobicContact CB-CD1 3.9Å; P103-I128 HydrophobicContact CB-CG1 4.35Å
104E93.8Very high87.9Confident60 Ų6061.6 Ų61.628%0.2834%0.342SS..G310 helixtrans-63.2-18.1-179.2-5885.9160.500113.4N83 V102 R107 R110N83-E104 HydrophobicContact CB-CB 4.29Å; N83-E104 HydrophobicContact CB-CG 3.63Å; V102-E104 VanDerWaalsContact C-N 3.25Å; V102-E104 WeakPolarHBondContact CB-OE2 3.38Å; V102-E104 HydrophobicContact CG2-CB 4.43Å; V102-E104 WeakPolarHBondContact CG2-OE2 3.15Å; V102-E104 PolarHBondContact O-N 3.21Å; E104-R107 PolarHBondContact O-NE 2.89Å; E104-R110 PolarHBondContact O-NH1 2.97Å
105L93.9Very high88.3Confident24 Ų2461.4 Ų61.413%0.12634%0.34CS..G310 helixtrans-85.6-10.5175.9-56.3-177.9000112.9V102 P103 R107 V114 N115 A116V102-L105 HydrophobicContact CG2-CD1 4Å; V102-L105 HydrophobicContact CG2-CG 3.69Å; V102-L105 WeakPolarHBondContact O-CB 3.47Å; V102-L105 PolarHBondContact O-N 2.85Å; P103-L105 PolarHBondContact O-N 3.21Å; P103-L105 VanDerWaalsContact O-N 3.09Å; L105-R107 PolarHBondContact O-N 3.01Å; L105-V114 HydrophobicContact CD1-CB 4.37Å; L105-V114 HydrophobicContact CD1-CG1 3.66Å; L105-N115 CarbonylContact O-C 3.54Å; L105-A116 WeakPolarHBondContact O-CA 3.22Å
106A95.7Very high89.1Confident0 Ų054.7 Ų54.70%031%0.31CS..  trans-70.729.2-176.600000115P103 W117 I128 F220P103-A106 WeakPolarHBondContact O-CB 3.46Å; P103-A106 PolarHBondContact O-N 3.37Å; A106-W117 HydrophobicContact CB-CB 3.69Å; A106-I128 HydrophobicContact CB-CD1 3.57Å; A106-F220 HydrophobicContact CB-CD1 3.91Å; A106-F220 HydrophobicContact CB-CE1 3.74Å; A106-F220 WeakPolarHBondContact O-CD1 3.45Å; A106-F220 PolarHBondContact O-N 2.87Å
107R95.4Very high89.9Confident19 Ų1946.1 Ų46.17%0.07227%0.266CS..BIsolated β-bridgetrans-90.7134.3-176.3-57.8-179.6178.9-88.33.2109.9M76 I81 N83 E104 L105 R110 R219M76-R107 VanDerWaalsContact O-CB 3.32Å; M76-R107 WeakPolarHBondContact O-CB 3.46Å; M76-R107 WeakPolarHBondContact O-CD 3.43Å; M76-R107 WeakPolarHBondContact O-CG 3.46Å; M76-R107 PolarHBondContact O-NH1 3.5Å; I81-R107 VanDerWaalsContact O-CZ 3.28Å; I81-R107 PolarHBondContact O-NH1 2.81Å; I81-R107 PolarHBondContact O-NH2 2.78Å; N83-R107 PolarHBondContact OD1-NH2 3.04Å; E104-R107 PolarHBondContact O-NE 2.89Å; L105-R107 PolarHBondContact O-N 3.01Å; R107-R110 HydrophobicContact CB-CB 4.35Å; R107-R110 VanDerWaalsContact O-CB 3.27Å; R107-R110 WeakPolarHBondContact O-CB 3.49Å; R107-R110 PolarHBondContact O-N 2.85Å; R107-R219 WeakPolarHBondContact O-CB 3.48Å; R107-R219 WeakPolarHBondContact O-CG 3.07Å
108L92.8Very high90.7Very high14 Ų1444.4 Ų44.47%0.07325%0.247CC..THydrogen-bonded Turntrans-52.5145.2177.3-163.268.6000111.5E77 R110 V142 Q144 V191 F220 E221E77-L108 HydrophobicContact CB-CB 4.23Å; L108-R110 PolarHBondContact O-N 3.1Å; L108-V142 HydrophobicContact CD1-CG1 4Å; L108-V142 HydrophobicContact CD2-CB 4.36Å; L108-V142 HydrophobicContact CD2-CG1 3.7Å; L108-Q144 HydrophobicContact CD1-CB 3.68Å; L108-V191 HydrophobicContact CD1-CG1 4.4Å; L108-V191 HydrophobicContact CD1-CG2 4.44Å; L108-F220 PolarHBondContact N-O 2.91Å; L108-F220 VanDerWaalsContact N-O 3.12Å; L108-E221 HydrophobicContact CB-CB 4.06Å; L108-E221 HydrophobicContact CD2-CB 3.99Å
109N91.1Very high91.6Very high79 Ų7938.6 Ų38.642%0.42222%0.217SC..THydrogen-bonded Turntrans56.53.2179.5-60.8-41.1000117.1E77 A111 Q144E77-N109 WeakPolarHBondContact OE1-CB 3.47Å; E77-N109 PolarHBondContact OE1-ND2 3.22Å; N109-A111 PolarHBondContact O-N 2.82Å; N109-Q144 PolarHBondContact OD1-NE2 2.95Å
110R89.6Confident92Very high90 Ų9039 Ų3934%0.3422%0.224SC..  trans-56.6130.8178.5-169.7171.2-171.8148.14.1111.1E104 R107 L108 N115 R219E104-R110 PolarHBondContact O-NH1 2.97Å; R107-R110 HydrophobicContact CB-CB 4.35Å; R107-R110 VanDerWaalsContact O-CB 3.27Å; R107-R110 WeakPolarHBondContact O-CB 3.49Å; R107-R110 PolarHBondContact O-N 2.85Å; L108-R110 PolarHBondContact O-N 3.1Å; R110-N115 HydrophobicContact CG-CB 4.47Å; R110-N115 WeakPolarHBondContact O-CB 3.46Å; R110-N115 PolarHBondContact O-ND2 3.07Å; R110-R219 PolarHBondContact O-NH1 3.38Å
111A88.3Confident91.9Very high87 Ų8738.8 Ų38.872%0.71923%0.232SC*.  trans-101.6158.4177.200000111.6N109N109-A111 PolarHBondContact O-N 2.82Å
112G85.8Confident91.8Very high55 Ų5545.1 Ų45.157%0.56727%0.266SS*.SBendtrans142.1173.2179.300000112.5V114G112-V114 VanDerWaalsContact C-N 3.34Å
113M83.6Confident91.7Very high154 Ų15445.2 Ų45.276%0.75927%0.265SS*.SBendtrans-71.9-31.1173.4-173.8-175.1-68.800112.2
114V87.7Confident91.4Very high33 Ų3352.5 Ų52.520%0.230%0.304CS..SBendtrans-128.2115.2169.7-172.80000105.8Q99 H100 W101 L105 G112Q99-V114 HydrophobicContact CB-CG2 3.95Å; Q99-V114 HydrophobicContact CG-CG2 3.77Å; H100-V114 WeakPolarHBondContact O-CG1 3.44Å; W101-V114 HydrophobicContact CD2-CG1 3.67Å; W101-V114 HydrophobicContact CE3-CG1 4.01Å; W101-V114 HydrophobicContact CG-CG1 3.95Å; W101-V114 HydrophobicContact CH2-CG1 4.44Å; W101-V114 HydrophobicContact CZ2-CG1 4.15Å; W101-V114 HydrophobicContact CZ2-CG2 4.37Å; W101-V114 HydrophobicContact CZ3-CG1 4.38Å; L105-V114 HydrophobicContact CD1-CB 4.37Å; L105-V114 HydrophobicContact CD1-CG1 3.66Å; G112-V114 VanDerWaalsContact C-N 3.34Å
115N91.7Very high91.3Very high15 Ų1554.6 Ų54.68%0.0832%0.317CS..  trans-145.214.2-162.971.6-37.2000114.3L105 R110 R219L105-N115 CarbonylContact O-C 3.54Å; R110-N115 HydrophobicContact CG-CB 4.47Å; R110-N115 WeakPolarHBondContact O-CB 3.46Å; R110-N115 PolarHBondContact O-ND2 3.07Å; N115-R219 PolarHBondContact ND2-NH1 2.76Å; N115-R219 WeakPolarHBondContact O-CD 3.09Å; N115-R219 VanDerWaalsContact O-CG 3.3Å; N115-R219 WeakPolarHBondContact O-CG 2.96Å
116A94.1Very high91.4Very high0 Ų054 Ų540%031%0.314CS..SBendtrans-147.5168.7-178.200000110.1W101 L105 A146 T217 R219W101-A116 HydrophobicContact CE3-CB 4Å; W101-A116 HydrophobicContact CZ3-CB 3.91Å; L105-A116 WeakPolarHBondContact O-CA 3.22Å; A116-A146 HydrophobicContact CB-CB 3.92Å; A116-T217 HydrophobicContact CB-CG2 3.53Å; A116-R219 HydrophobicContact CB-CG 3.67Å
117W95.8Very high91.5Very high0 Ų056.7 Ų56.70%033%0.325CS..BIsolated β-bridgetrans-84.9150.7162.9169.568.4000110.5A88 S90 W101 A106 P119 P126 W127 I128 P209 T217 L218A88-W117 HydrophobicContact CB-CZ2 3.95Å; S90-W117 PolarHBondContact O-NE1 2.92Å; W101-W117 WeakPolarHBondContact O-CA 3.16Å; W101-W117 VanDerWaalsContact O-CD1 3.26Å; A106-W117 HydrophobicContact CB-CB 3.69Å; W117-P119 HydrophobicContact CH2-CB 4.26Å; W117-P119 HydrophobicContact CH2-CG 4.26Å; W117-P119 HydrophobicContact CZ2-CB 3.78Å; W117-P119 HydrophobicContact CZ2-CG 4.21Å; W117-P126 HydrophobicContact CH2-CB 4.37Å; W117-W127 WeakPolarHBondContact CZ2-O 3.19Å; W117-I128 HydrophobicContact CB-CD1 3.85Å; W117-I128 HydrophobicContact CD2-CB 4.05Å; W117-I128 HydrophobicContact CD2-CD1 3.69Å; W117-I128 HydrophobicContact CD2-CG1 4.4Å; W117-I128 HydrophobicContact CE3-CB 3.75Å; W117-I128 HydrophobicContact CE3-CD1 3.81Å; W117-I128 HydrophobicContact CE3-CG1 4.39Å; W117-I128 HydrophobicContact CE3-CG2 3.78Å; W117-I128 HydrophobicContact CG-CD1 3.73Å; W117-I128 HydrophobicContact CH2-CB 3.83Å; W117-I128 HydrophobicContact CH2-CG2 4.13Å; W117-I128 HydrophobicContact CZ2-CB 4.12Å; W117-I128 HydrophobicContact CZ3-CB 3.65Å; W117-I128 HydrophobicContact CZ3-CG2 3.54Å; W117-P209 HydrophobicContact CH2-CG 4.22Å; W117-P209 HydrophobicContact CZ3-CG 4.08Å; W117-T217 WeakPolarHBondContact O-CA 3.24Å; W117-L218 HydrophobicContact CE3-CB 4.22Å; W117-L218 HydrophobicContact CE3-CD2 4.49Å; W117-L218 PolarHBondContact N-O 3.13Å; W117-L218 PolarHBondContact O-N 3.42Å
118T94.7Very high91.6Very high1 Ų155.8 Ų55.81%0.00632%0.321CS..  trans-149.3130.6167.6-57.20000107.9R92 W101 A215 T217R92-T118 HydrophobicContact CB-CG2 4.06Å; R92-T118 WeakPolarHBondContact CB-O 3.21Å; R92-T118 PolarHBondContact N-O 2.8Å; W101-T118 PolarHBondContact O-N 3.22Å; W101-T118 VanDerWaalsContact O-N 3.14Å; T118-A215 HydrophobicContact CG2-CB 3.93Å; T118-T217 WeakPolarHBondContact OG1-CB 3.45Å; T118-T217 VanDerWaalsContact OG1-CG2 3.31Å; T118-T217 WeakPolarHBondContact OG1-CG2 3.49Å; T118-T217 PolarHBondContact OG1-OG1 3.24Å
119P94.9Very high91.8Very high7 Ų756.1 Ų56.15%0.04532%0.322CS..  trans-71.8164.317729.8-34.5000112.1S90 R92 W117 P126 C216S90-P119 WeakPolarHBondContact OG-CB 3.47Å; R92-P119 WeakPolarHBondContact CB-O 3.43Å; W117-P119 HydrophobicContact CH2-CB 4.26Å; W117-P119 HydrophobicContact CH2-CG 4.26Å; W117-P119 HydrophobicContact CZ2-CB 3.78Å; W117-P119 HydrophobicContact CZ2-CG 4.21Å; P119-P126 HydrophobicContact CB-CB 3.45Å; P119-P126 VanDerWaalsContact CB-CB 3.45Å; P119-P126 HydrophobicContact CB-CG 4.33Å; P119-P126 HydrophobicContact CG-CB 3.68Å; P119-P126 HydrophobicContact CG-CG 4.09Å; P119-C216 WeakPolarHBondContact CD-O 3.36Å; P119-C216 HydrophobicContact CG-CB 3.8Å
120S92.5Very high92.1Very high40 Ų4052.3 Ų52.328%0.2830%0.302SS..  trans-58.5151171-174.70000111.3S90 N122S90-S120 PolarHBondContact OG-N 2.78Å; S120-N122 PolarHBondContact O-N 2.84Å; S120-N122 PolarHBondContact OG-N 3.19Å
121S87.6Confident92.3Very high84 Ų8449.5 Ų49.559%0.58729%0.294SS*.THydrogen-bonded Turntrans-69.7-11.9173.150.40000113.9
122N89.6Confident92.5Very high134 Ų13445.8 Ų45.872%0.71726%0.262SS*.THydrogen-bonded Turntrans-109.214.7-175-52.18.5000111.4S120S120-N122 PolarHBondContact O-N 2.84Å; S120-N122 PolarHBondContact OG-N 3.19Å
123D91.1Very high92.5Very high41 Ų4146.8 Ų46.822%0.21925%0.253CS..  trans-105.3104178.1-176.8-1.7000108.1S89 S90 N125 P126S89-D123 VanDerWaalsContact CB-OD2 3.27Å; S89-D123 WeakPolarHBondContact CB-OD2 3.38Å; S89-D123 PolarHBondContact OG-OD2 3.18Å; S90-D123 VanDerWaalsContact CB-OD2 3.24Å; S90-D123 WeakPolarHBondContact CB-OD2 3.45Å; S90-D123 WeakPolarHBondContact OG-CB 3.47Å; S90-D123 PolarHBondContact OG-OD2 3.12Å; D123-N125 VanDerWaalsContact C-N 3.29Å; D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact OD1-C 3.31Å; D123-N125 PolarHBondContact OD1-N 3.1Å; D123-P126 WeakPolarHBondContact O-CD 3.31Å; D123-P126 WeakPolarHBondContact OD2-CA 3.21Å
124D89.4Confident92.5Very high165 Ų16541.9 Ų41.988%0.88223%0.227SC*.SBendtrans-75.6-15.6-176.5-63.5-46.7000113.2
125N92.6Very high92.4Very high105 Ų10546.8 Ų46.856%0.56124%0.242SC*.SBendtrans-138.664.6179.6-174.431.2000111.1D123D123-N125 VanDerWaalsContact C-N 3.29Å; D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 VanDerWaalsContact OD1-C 3.31Å; D123-N125 PolarHBondContact OD1-N 3.1Å
126P96.3Very high92.2Very high11 Ų1146.7 Ų46.77%0.07124%0.241CC..  trans-69.1146.7-174.729.7-34.6000111.2S89 W117 P119 D123 P209S89-P126 VanDerWaalsContact OG-CA 3.32Å; S89-P126 WeakPolarHBondContact OG-CA 3.41Å; W117-P126 HydrophobicContact CH2-CB 4.37Å; P119-P126 HydrophobicContact CB-CB 3.45Å; P119-P126 VanDerWaalsContact CB-CB 3.45Å; P119-P126 HydrophobicContact CB-CG 4.33Å; P119-P126 HydrophobicContact CG-CB 3.68Å; P119-P126 HydrophobicContact CG-CG 4.09Å; D123-P126 WeakPolarHBondContact O-CD 3.31Å; D123-P126 WeakPolarHBondContact OD2-CA 3.21Å; P126-P209 HydrophobicContact CG-CB 4.26Å; P126-P209 HydrophobicContact CG-CG 4.36Å; P126-P209 VanDerWaalsContact O-CD 3.29Å; P126-P209 WeakPolarHBondContact O-CD 3.05Å
127W96.7Very high92Very high57 Ų5750.4 Ų50.422%0.21626%0.255CS..  trans-145.6151.517156.9-96.4000111.6A88 S89 W117 Q129 R206 L207 Y208A88-W127 CarbonylContact C-O 3.59Å; A88-W127 VanDerWaalsContact CA-O 3.28Å; A88-W127 WeakPolarHBondContact CA-O 3.39Å; A88-W127 WeakPolarHBondContact CB-O 3.41Å; S89-W127 PolarHBondContact N-O 2.91Å; S89-W127 PolarHBondContact OG-N 3.15Å; S89-W127 PolarHBondContact OG-O 2.76Å; W117-W127 WeakPolarHBondContact CZ2-O 3.19Å; W127-Q129 HydrophobicContact CE3-CB 3.77Å; W127-Q129 HydrophobicContact CZ3-CB 3.54Å; W127-R206 HydrophobicContact CE3-CG 4.37Å; W127-L207 VanDerWaalsContact CA-O 3.3Å; W127-L207 WeakPolarHBondContact CA-O 3.42Å; W127-Y208 HydrophobicContact CB-CD1 3.78Å; W127-Y208 HydrophobicContact CB-CE1 3.68Å; W127-Y208 HydrophobicContact CB-CG 4.27Å; W127-Y208 AromaticContact CD1-CE1 3.94Å; W127-Y208 HydrophobicContact CG-CE1 4.06Å
128I97.6Very high91.9Very high0 Ų050.4 Ų50.40%026%0.255CS..EExtended strand (participates in β ladder)trans-121.1135.2165.4-173160.4000108.9I86 A88 P103 A106 W117 R206 L207 L218 F220I86-I128 HydrophobicContact CG2-CD1 4.13Å; I86-I128 HydrophobicContact CG2-CG1 4.15Å; A88-I128 HydrophobicContact CB-CB 4.43Å; A88-I128 HydrophobicContact CB-CG1 4.4Å; P103-I128 HydrophobicContact CB-CD1 3.9Å; P103-I128 HydrophobicContact CB-CG1 4.35Å; A106-I128 HydrophobicContact CB-CD1 3.57Å; W117-I128 HydrophobicContact CB-CD1 3.85Å; W117-I128 HydrophobicContact CD2-CB 4.05Å; W117-I128 HydrophobicContact CD2-CD1 3.69Å; W117-I128 HydrophobicContact CD2-CG1 4.4Å; W117-I128 HydrophobicContact CE3-CB 3.75Å; W117-I128 HydrophobicContact CE3-CD1 3.81Å; W117-I128 HydrophobicContact CE3-CG1 4.39Å; W117-I128 HydrophobicContact CE3-CG2 3.78Å; W117-I128 HydrophobicContact CG-CD1 3.73Å; W117-I128 HydrophobicContact CH2-CB 3.83Å; W117-I128 HydrophobicContact CH2-CG2 4.13Å; W117-I128 HydrophobicContact CZ2-CB 4.12Å; W117-I128 HydrophobicContact CZ3-CB 3.65Å; W117-I128 HydrophobicContact CZ3-CG2 3.54Å; I128-R206 CarbonylContact O-C 3.38Å; I128-R206 VanDerWaalsContact O-CA 3.29Å; I128-R206 WeakPolarHBondContact O-CA 3.43Å; I128-L207 HydrophobicContact CG2-CB 3.99Å; I128-L207 PolarHBondContact N-O 2.99Å; I128-L207 VanDerWaalsContact N-O 3.09Å; I128-L207 PolarHBondContact O-N 3.46Å; I128-L218 HydrophobicContact CG2-CD2 4.11Å; I128-F220 HydrophobicContact CD1-CE1 3.86Å; I128-F220 HydrophobicContact CG1-CE1 4.22Å; I128-F220 HydrophobicContact CG1-CZ 4.45Å; I128-F220 HydrophobicContact CG2-CE1 4.04Å; I128-F220 HydrophobicContact CG2-CZ 4.3Å
129Q97.1Very high91.7Very high20 Ų2051 Ų519%0.09326%0.258CS..EExtended strand (participates in β ladder)trans-118.9141.7-174.3-175-177.3-79.400110.5I86 T87 W127 V205 R206I86-Q129 WeakPolarHBondContact CA-O 3.24Å; T87-Q129 PolarHBondContact N-O 2.81Å; T87-Q129 PolarHBondContact O-N 2.91Å; W127-Q129 HydrophobicContact CE3-CB 3.77Å; W127-Q129 HydrophobicContact CZ3-CB 3.54Å; Q129-V205 CarbonylContact C-O 3.55Å; Q129-V205 VanDerWaalsContact CA-O 3.25Å; Q129-V205 WeakPolarHBondContact CA-O 3.31Å; Q129-R206 HydrophobicContact CB-CG 3.79Å; Q129-R206 HydrophobicContact CG-CG 3.84Å; Q129-R206 VanDerWaalsContact OE1-CZ 3.26Å
130V97.4Very high91.6Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-119.7127.7168-176.50000108.9M76 I81 Q85 L132 Y204 V205 F220 L222M76-V130 HydrophobicContact CE-CG2 4.3Å; M76-V130 HydrophobicContact SD-CG1 4.35Å; M76-V130 HydrophobicContact SD-CG2 3.89Å; I81-V130 HydrophobicContact CD1-CG1 4Å; I81-V130 HydrophobicContact CG2-CG1 3.92Å; Q85-V130 WeakPolarHBondContact O-CA 3.4Å; V130-L132 HydrophobicContact CG1-CD2 3.9Å; V130-Y204 WeakPolarHBondContact O-CA 3.39Å; V130-V205 PolarHBondContact N-O 2.87Å; V130-V205 PolarHBondContact O-N 2.89Å; V130-F220 HydrophobicContact CG2-CE2 3.8Å; V130-F220 HydrophobicContact CG2-CZ 3.55Å; V130-L222 HydrophobicContact CB-CD1 3.92Å; V130-L222 HydrophobicContact CG1-CD1 4.06Å; V130-L222 HydrophobicContact CG2-CD1 4.03Å
131N94.9Very high91.7Very high30 Ų3048.8 Ų48.816%0.1624%0.243CC..EExtended strand (participates in β ladder)trans-95.9109.5168.2-177.6-1.6000109.2Q85 L133 Q203 Y204Q85-N131 WeakPolarHBondContact CB-O 3.47Å; Q85-N131 WeakPolarHBondContact CG-O 3.41Å; Q85-N131 PolarHBondContact NE2-O 2.76Å; Q85-N131 PolarHBondContact O-N 3.1Å; N131-L133 PolarHBondContact O-N 2.68Å; N131-L133 WeakPolarHBondContact OD1-CA 3.46Å; N131-L133 PolarHBondContact OD1-N 2.84Å; N131-Q203 PolarHBondContact OD1-NE2 2.86Å; N131-Y204 HydrophobicContact CB-CD1 3.81Å; N131-Y204 HydrophobicContact CB-CE1 3.68Å; N131-Y204 VanDerWaalsContact ND2-CE1 3.32Å; N131-Y204 WeakPolarHBondContact ND2-CE1 3.38Å; N131-Y204 PolarHBondContact ND2-OH 3.01Å
132L91.1Very high92.1Very high9 Ų945.2 Ų45.25%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-74-2179.4-57.3173.7000112.8L74 I81 V130 R134 M136 V138 Q203 V205 L222L74-L132 HydrophobicContact CD1-CD1 4.11Å; L74-L132 HydrophobicContact CD1-CD2 4.04Å; I81-L132 HydrophobicContact CD1-CD2 4.1Å; V130-L132 HydrophobicContact CG1-CD2 3.9Å; L132-R134 PolarHBondContact O-N 3.33Å; L132-M136 HydrophobicContact CB-CG 3.85Å; L132-M136 HydrophobicContact CD1-CB 3.79Å; L132-M136 HydrophobicContact CD1-CG 3.74Å; L132-M136 HydrophobicContact CG-CG 4.34Å; L132-V138 HydrophobicContact CD1-CG2 3.83Å; L132-Q203 WeakPolarHBondContact CB-O 3.44Å; L132-Q203 PolarHBondContact N-O 2.77Å; L132-V205 HydrophobicContact CD1-CG2 4.13Å; L132-L222 HydrophobicContact CD2-CD1 4.15Å
133L86.6Confident92.4Very high76 Ų7638.9 Ų38.940%0.39818%0.184SC..EExtended strand (participates in β ladder)trans64.7-15.1-177.4-57.7173.5000115.7Q85 N131Q85-L133 HydrophobicContact CG-CD1 4.04Å; Q85-L133 HydrophobicContact CG-CD2 4.18Å; Q85-L133 HydrophobicContact CG-CG 4.01Å; N131-L133 PolarHBondContact O-N 2.68Å; N131-L133 WeakPolarHBondContact OD1-CA 3.46Å; N131-L133 PolarHBondContact OD1-N 2.84Å
134R82.7Confident92.5Very high51 Ų5137.4 Ų37.419%0.19218%0.176CC..EExtended strand (participates in β ladder)trans-148176.2173.173.4-172.6121.7-75.8-46.6110.3L132 M136 Q203 E226 L357L132-R134 PolarHBondContact O-N 3.33Å; R134-M136 HydrophobicContact CG-CG 4.38Å; R134-M136 HydrophobicContact CG-SD 3.78Å; R134-Q203 WeakPolarHBondContact O-CA 3.5Å; R134-E226 VanDerWaalsContact CD-OE1 3.29Å; R134-E226 WeakPolarHBondContact CD-OE1 3.08Å; R134-E226 IonicContact CZ-OE1 3Å; R134-E226 IonicContact NE-OE1 3.55Å; R134-E226 PolarHBondContact NE-OE1 3.45Å; R134-L357 VanDerWaalsContact CZ-CD1 3.46Å
135R86.9Confident92.6Very high137 Ų13729.5 Ų29.552%0.51713%0.134SC..EExtended strand (participates in β ladder)trans-71.6126.7173.9-60.5166.9176-133.413.1110.4L164 E201 L227R135-L164 HydrophobicContact CG-CD2 4.21Å; R135-E201 HydrophobicContact CB-CG 4.46Å; R135-E201 VanDerWaalsContact CD-OE1 3.28Å; R135-E201 WeakPolarHBondContact CD-OE1 3.3Å; R135-E201 IonicContact CZ-OE1 2.69Å; R135-E201 IonicContact NE-OE1 3.18Å; R135-E201 IonicContact NH1-OE1 2.61Å; R135-E201 PolarHBondContact NH1-OE1 3.1Å; R135-L227 HydrophobicContact CB-CD2 4.29Å
136M87.6Confident92.5Very high13 Ų1324.6 Ų24.66%0.06411%0.108CC..EExtended strand (participates in β ladder)trans-130.6152.1177.9-56.6-66.3-71.700108.6L74 L132 R134 A202 E226L74-M136 HydrophobicContact CD2-CE 3.82Å; L132-M136 HydrophobicContact CB-CG 3.85Å; L132-M136 HydrophobicContact CD1-CB 3.79Å; L132-M136 HydrophobicContact CD1-CG 3.74Å; L132-M136 HydrophobicContact CG-CG 4.34Å; R134-M136 HydrophobicContact CG-CG 4.38Å; R134-M136 HydrophobicContact CG-SD 3.78Å; M136-A202 PolarHBondContact N-O 3.32Å; M136-A202 PolarHBondContact O-N 2.8Å; M136-E226 HydrophobicContact CE-CB 4.21Å; M136-E226 HydrophobicContact CE-CG 4.06Å; M136-E226 HydrophobicContact SD-CB 4.35Å; M136-E226 HydrophobicContact SD-CG 3.74Å
137W89.1Confident91.9Very high78 Ų7826 Ų2630%0.29512%0.117SC..EExtended strand (participates in β ladder)trans-75.1125.5156.9-77.2124000108.7P199 E201 G224 C225 L227W137-P199 HydrophobicContact CD2-CB 4.35Å; W137-P199 HydrophobicContact CE3-CB 3.74Å; W137-P199 HydrophobicContact CE3-CG 4.18Å; W137-P199 HydrophobicContact CZ3-CB 4.16Å; W137-P199 HydrophobicContact CZ3-CG 4.16Å; W137-P199 WeakPolarHBondContact CZ3-O 3.38Å; W137-E201 HydrophobicContact CE3-CB 4.45Å; W137-E201 HydrophobicContact CZ3-CB 4.21Å; W137-G224 CarbonylContact O-C 3.51Å; W137-G224 WeakPolarHBondContact O-CA 2.97Å; W137-C225 PolarHBondContact N-O 3.27Å; W137-C225 PolarHBondContact O-N 3.2Å; W137-C225 VanDerWaalsContact O-O 3.08Å; W137-L227 HydrophobicContact CD2-CD1 4.05Å; W137-L227 VanDerWaalsContact CE2-CD1 3.47Å; W137-L227 HydrophobicContact CG-CD1 4.33Å; W137-L227 HydrophobicContact CZ2-CD1 3.77Å
138V92.8Very high91Very high0 Ų026.1 Ų26.10%012%0.118CC..EExtended strand (participates in β ladder)trans-110.7124.4171.1-169.50000107.5L74 L132 F196 V200 A202 V205L74-V138 HydrophobicContact CD1-CG2 4.33Å; L132-V138 HydrophobicContact CD1-CG2 3.83Å; V138-F196 HydrophobicContact CB-CE2 4.25Å; V138-F196 HydrophobicContact CG1-CE2 3.77Å; V138-F196 HydrophobicContact CG1-CZ 4.35Å; V138-F196 WeakPolarHBondContact O-CD2 3.46Å; V138-V200 HydrophobicContact CB-CG2 4.01Å; V138-V200 PolarHBondContact N-O 3.3Å; V138-V200 PolarHBondContact O-N 3.31Å; V138-A202 HydrophobicContact CG2-CB 3.96Å; V138-V205 HydrophobicContact CG1-CG2 4.4Å; V138-V205 HydrophobicContact CG2-CG2 3.86Å
139T91.6Very high89.8Confident13 Ų1333.5 Ų33.58%0.0816%0.157CC..EExtended strand (participates in β ladder)trans-120.7-6.6-169.962.60000113C70 L195 F196 P199 L223 G224C70-T139 HydrophobicContact CB-CG2 4.28Å; C70-T139 WeakPolarHBondContact O-CB 3.3Å; C70-T139 WeakPolarHBondContact O-CG2 3.43Å; C70-T139 PolarHBondContact O-OG1 3Å; C70-T139 VanDerWaalsContact SG-CG2 3.58Å; T139-L195 WeakPolarHBondContact O-CA 3.48Å; T139-F196 PolarHBondContact O-N 2.87Å; T139-P199 HydrophobicContact CG2-CB 3.85Å; T139-L223 PolarHBondContact N-O 2.7Å; T139-L223 PolarHBondContact OG1-O 2.84Å; T139-G224 WeakPolarHBondContact OG1-CA 3.48Å
140G92.3Very high88.6Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-179.6176.5173.600000114.7N194 L223G140-N194 CarbonylContact C-O 3.55Å; G140-N194 WeakPolarHBondContact CA-O 3.45Å; G140-L223 PolarHBondContact N-O 3.25Å; G140-L223 PolarHBondContact O-N 3.42Å
141V95.8Very high87.9Confident0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-132.5128.2175.8-176.60000108.8T143 F158 V160 N194 F196 L207 F220 L222V141-T143 HydrophobicContact CG1-CG2 3.77Å; V141-F158 HydrophobicContact CB-CE2 4.37Å; V141-F158 HydrophobicContact CB-CZ 4.36Å; V141-F158 HydrophobicContact CG1-CE2 4.32Å; V141-F158 HydrophobicContact CG1-CZ 4.31Å; V141-V160 HydrophobicContact CG2-CG2 4.1Å; V141-N194 PolarHBondContact N-O 3.31Å; V141-N194 PolarHBondContact O-N 2.9Å; V141-F196 HydrophobicContact CG2-CE1 3.97Å; V141-F196 HydrophobicContact CG2-CZ 3.76Å; V141-L207 HydrophobicContact CG1-CD2 3.77Å; V141-L207 HydrophobicContact CG1-CG 4.5Å; V141-L207 HydrophobicContact CG2-CD1 4.49Å; V141-F220 HydrophobicContact CG1-CB 4.43Å; V141-F220 HydrophobicContact CG1-CD2 4.37Å; V141-L222 HydrophobicContact CG2-CD2 3.94Å
142V95.3Very high87.5Confident10 Ų1041.5 Ų41.56%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-99.4127.1170.3-1760000108.4L108 V191 H192 V193 F220 E221 L223L108-V142 HydrophobicContact CD1-CG1 4Å; L108-V142 HydrophobicContact CD2-CB 4.36Å; L108-V142 HydrophobicContact CD2-CG1 3.7Å; V142-V191 HydrophobicContact CG1-CG1 3.14Å; V142-H192 WeakPolarHBondContact CA-O 3.17Å; V142-V193 HydrophobicContact CG1-CG2 4.26Å; V142-V193 HydrophobicContact CG2-CG1 4.3Å; V142-V193 HydrophobicContact CG2-CG2 4.13Å; V142-F220 CarbonylContact O-C 3.5Å; V142-F220 WeakPolarHBondContact O-CA 3.38Å; V142-F220 WeakPolarHBondContact O-CB 3.39Å; V142-E221 HydrophobicContact CB-CB 4.24Å; V142-E221 PolarHBondContact N-O 3.05Å; V142-E221 PolarHBondContact O-N 3.4Å; V142-L223 HydrophobicContact CG2-CD1 3.68Å; V142-L223 HydrophobicContact CG2-CD2 3.75Å; V142-L223 HydrophobicContact CG2-CG 3.71Å
143T95.8Very high87.5Confident0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-121.5149.8-17558.80000112.1V141 F158 N185 V191 H192 L218 R219V141-T143 HydrophobicContact CG1-CG2 3.77Å; T143-F158 HydrophobicContact CG2-CE1 3.84Å; T143-F158 HydrophobicContact CG2-CZ 3.83Å; T143-N185 VanDerWaalsContact C-ND2 3.3Å; T143-N185 PolarHBondContact O-ND2 2.84Å; T143-N185 PolarHBondContact OG1-OD1 2.9Å; T143-V191 WeakPolarHBondContact O-CA 3.48Å; T143-H192 PolarHBondContact N-O 3.36Å; T143-H192 PolarHBondContact O-N 2.71Å; T143-H192 PolarHBondContact OG1-O 2.81Å; T143-L218 HydrophobicContact CG2-CD1 3.97Å; T143-R219 CarbonylContact C-O 3.6Å
144Q93.1Very high87.7Confident10 Ų1039 Ų395%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-150.2137.6176.4-168.1-176.845.100109.8L108 N109 N185 N189 V191 R219L108-Q144 HydrophobicContact CD1-CB 3.68Å; N109-Q144 PolarHBondContact OD1-NE2 2.95Å; Q144-N185 WeakPolarHBondContact CA-ND2 3.26Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.47Å; Q144-N185 PolarHBondContact N-OD1 3.11Å; Q144-N189 PolarHBondContact NE2-O 3.34Å; Q144-V191 HydrophobicContact CG-CG2 4.44Å; Q144-R219 HydrophobicContact CB-CB 4.19Å; Q144-R219 VanDerWaalsContact CD-CZ 3.49Å; Q144-R219 VanDerWaalsContact CD-NH2 3.34Å; Q144-R219 PolarHBondContact N-O 3.08Å; Q144-R219 PolarHBondContact O-N 3.2Å
145G90.8Very high88.2Confident0 Ų036.6 Ų36.60%019%0.189CC..  trans-76.1-163.8175.200000113.5N185 K188 R219G145-N185 PolarHBondContact N-OD1 2.93Å; G145-K188 CarbonylContact C-O 3.34Å; G145-K188 VanDerWaalsContact C-O 3.25Å; G145-K188 VanDerWaalsContact O-O 3.07Å; G145-R219 PolarHBondContact O-NE 2.97Å; G145-R219 PolarHBondContact O-NH2 2.94Å
146A90.4Very high88.5Confident2 Ų234.4 Ų34.42%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-146.8-167.6166.700000111.5W101 A116 E153 K188 T217W101-A146 HydrophobicContact CZ3-CB 4.29Å; A116-A146 HydrophobicContact CB-CB 3.92Å; A146-E153 PolarHBondContact N-O 2.94Å; A146-E153 PolarHBondContact O-N 2.85Å; A146-E153 VanDerWaalsContact O-N 3.11Å; A146-K188 WeakPolarHBondContact O-CB 3.47Å; A146-T217 HydrophobicContact CB-CG2 3.64Å
147S84.4Confident88.9Confident40 Ų4034.4 Ų34.428%0.2819%0.186SC..EExtended strand (participates in β ladder)trans-148141.9172.554.30000112.8S151 K188S147-S151 CarbonylContact C-O 3.44Å; S147-S151 WeakPolarHBondContact CA-O 3.41Å; S147-S151 WeakPolarHBondContact CB-O 3.31Å; S147-K188 WeakPolarHBondContact OG-CD 3.28Å
148R78.4Confident89.2Confident60 Ų6030.7 Ų30.723%0.22617%0.172CC..EExtended strand (participates in β ladder)trans-129.5121.1-177.5-176.1176.961.484.45.6108.9W101 A150 S151 E153W101-R148 HydrophobicContact CH2-CB 4.44Å; W101-R148 HydrophobicContact CZ2-CB 4.17Å; W101-R148 HydrophobicContact CZ2-CG 4.07Å; R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 2.87Å; R148-S151 PolarHBondContact N-O 3.32Å; R148-S151 WeakPolarHBondContact O-CB 3.47Å; R148-S151 PolarHBondContact O-N 3.43Å; R148-E153 VanDerWaalsContact CB-OE2 3.28Å; R148-E153 WeakPolarHBondContact CB-OE2 3.32Å; R148-E153 IonicContact CZ-OE1 2.7Å; R148-E153 IonicContact CZ-OE2 3.57Å; R148-E153 IonicContact NE-OE1 3.25Å; R148-E153 PolarHBondContact NE-OE1 3.31Å; R148-E153 VanDerWaalsContact NE-OE1 3.14Å; R148-E153 IonicContact NE-OE2 2.76Å; R148-E153 PolarHBondContact NE-OE2 2.67Å; R148-E153 IonicContact NH2-OE1 3.28Å; R148-E153 PolarHBondContact NH2-OE1 3.24Å; R148-E153 IonicContact NH2-OE2 2.71Å
149L72.3Confident89.3Confident155 Ų15533.7 Ų33.781%0.81219%0.185SC*.THydrogen-bonded Turntrans47.353.8179.6-61.2171.5000112.7S151L149-S151 PolarHBondContact O-N 2.76Å
150A72.1Confident89.6Confident93 Ų9333.1 Ų33.177%0.76918%0.181SC*.THydrogen-bonded Turntrans64.1-9.8-174.100000117.3R148R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 2.87Å
151S81.3Confident89.8Confident43 Ų4333.1 Ų33.130%0.30118%0.181SC..EExtended strand (participates in β ladder)trans-75.7141.4171.5-165.40000111.9S147 R148 L149S147-S151 CarbonylContact C-O 3.44Å; S147-S151 WeakPolarHBondContact CA-O 3.41Å; S147-S151 WeakPolarHBondContact CB-O 3.31Å; R148-S151 PolarHBondContact N-O 3.32Å; R148-S151 WeakPolarHBondContact O-CB 3.47Å; R148-S151 PolarHBondContact O-N 3.43Å; L149-S151 PolarHBondContact O-N 2.76Å
152H87.3Confident89.8Confident82 Ų8235.8 Ų35.838%0.3819%0.192SC..EExtended strand (participates in β ladder)trans-92.4114.6177.5-61.6-73.4000109.8Y154 K188 H213H152-Y154 HydrophobicContact CB-CD1 4.23Å; H152-Y154 HydrophobicContact CB-CE1 4.16Å; H152-K188 VanDerWaalsContact ND1-CD 3.35Å; H152-K188 WeakPolarHBondContact ND1-CD 3.33Å; H152-K188 VanDerWaalsContact ND1-CG 3.33Å; H152-K188 WeakPolarHBondContact ND1-CG 3.41Å; H152-H213 PolarHBondContact O-ND1 2.77Å
153E90.4Very high89.9Confident2 Ų235.5 Ų35.51%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-116.3119.7-177.7-61.1-176143.600108.2A146 R148 H213 T214 A215 T217A146-E153 PolarHBondContact N-O 2.94Å; A146-E153 PolarHBondContact O-N 2.85Å; A146-E153 VanDerWaalsContact O-N 3.11Å; R148-E153 VanDerWaalsContact CB-OE2 3.28Å; R148-E153 WeakPolarHBondContact CB-OE2 3.32Å; R148-E153 IonicContact CZ-OE1 2.7Å; R148-E153 IonicContact CZ-OE2 3.57Å; R148-E153 IonicContact NE-OE1 3.25Å; R148-E153 PolarHBondContact NE-OE1 3.31Å; R148-E153 VanDerWaalsContact NE-OE1 3.14Å; R148-E153 IonicContact NE-OE2 2.76Å; R148-E153 PolarHBondContact NE-OE2 2.67Å; R148-E153 IonicContact NH2-OE1 3.28Å; R148-E153 PolarHBondContact NH2-OE1 3.24Å; R148-E153 IonicContact NH2-OE2 2.71Å; E153-H213 WeakPolarHBondContact CA-O 3.42Å; E153-T214 HydrophobicContact CG-CG2 3.95Å; E153-A215 HydrophobicContact CB-CB 4.25Å; E153-A215 HydrophobicContact CG-CB 4.26Å; E153-T217 WeakPolarHBondContact CB-OG1 3.37Å
154Y91.6Very high89.7Confident30 Ų3039 Ų3912%0.11821%0.209CC..EExtended strand (participates in β ladder)trans-158.6151.3-17460.5-90000113.7H152 K156 N185 W186 H213 A215H152-Y154 HydrophobicContact CB-CD1 4.23Å; H152-Y154 HydrophobicContact CB-CE1 4.16Å; Y154-K156 HydrophobicContact CD2-CG 4.28Å; Y154-K156 HydrophobicContact CE2-CG 3.96Å; Y154-N185 HydrophobicContact CD2-CB 4.15Å; Y154-N185 WeakPolarHBondContact CD2-O 3.31Å; Y154-N185 WeakPolarHBondContact CE2-O 3.4Å; Y154-W186 PolarHBondContact OH-O 2.92Å; Y154-H213 HydrophobicContact CD1-CB 3.71Å; Y154-H213 HydrophobicContact CD2-CB 3.88Å; Y154-H213 HydrophobicContact CE1-CB 3.39Å; Y154-H213 AromaticContact CE1-CG 3.34Å; Y154-H213 AromaticContact CE1-ND1 3.56Å; Y154-H213 HydrophobicContact CE2-CB 3.6Å; Y154-H213 HydrophobicContact CG-CB 3.94Å; Y154-H213 AromaticContact CZ-CD2 3.83Å; Y154-H213 AromaticContact CZ-CG 3.47Å; Y154-H213 VanDerWaalsContact CZ-CG 3.47Å; Y154-H213 PolarHBondContact N-O 3.28Å; Y154-H213 PolarHBondContact O-N 2.8Å; Y154-H213 PolarHBondContact OH-CD2 2.93Å; Y154-A215 PolarHBondContact N-O 2.95Å
155L93.8Very high89.6Confident0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-71.2127.8171.7-172.659.7000110.7A157 F158 G184 N185 P209 T217 L218L155-A157 VanDerWaalsContact CD1-O 3.29Å; L155-A157 WeakPolarHBondContact CD1-O 3.35Å; L155-F158 HydrophobicContact CD1-CB 4.27Å; L155-F158 HydrophobicContact CD2-CB 3.89Å; L155-F158 HydrophobicContact CD2-CD1 3.72Å; L155-F158 HydrophobicContact CD2-CE1 4.49Å; L155-F158 HydrophobicContact CD2-CG 3.93Å; L155-F158 HydrophobicContact CG-CB 4.29Å; L155-F158 HydrophobicContact CG-CD1 4.18Å; L155-G184 CarbonylContact O-C 3.59Å; L155-G184 WeakPolarHBondContact O-CA 3.21Å; L155-N185 PolarHBondContact O-N 3.35Å; L155-P209 HydrophobicContact CD1-CB 3.52Å; L155-P209 HydrophobicContact CD1-CG 3.96Å; L155-T217 PolarHBondContact N-O 3.28Å; L155-L218 HydrophobicContact CB-CD1 4.48Å; L155-L218 HydrophobicContact CD2-CD1 3.77Å; L155-L218 HydrophobicContact CD2-CD2 4.19Å; L155-L218 HydrophobicContact CD2-CG 4.43Å
156K93.1Very high89.5Confident91 Ų9142.6 Ų42.640%0.39623%0.232SC..EExtended strand (participates in β ladder)trans-100.4-32.5176.7-65.5179.5-176.9172.20113.5Y154 G184 S211 C212 H213Y154-K156 HydrophobicContact CD2-CG 4.28Å; Y154-K156 HydrophobicContact CE2-CG 3.96Å; K156-G184 WeakPolarHBondContact O-CA 3.37Å; K156-G184 PolarHBondContact O-N 3Å; K156-S211 WeakPolarHBondContact CA-O 3.48Å; K156-S211 WeakPolarHBondContact CB-O 3.18Å; K156-S211 PolarHBondContact N-O 3.09Å; K156-C212 VanDerWaalsContact CE-O 3.3Å; K156-C212 WeakPolarHBondContact CE-O 3.17Å; K156-C212 PolarHBondContact NZ-O 3.01Å; K156-H213 HydrophobicContact CG-CB 4.32Å
157A94.6Very high89.5Confident14 Ų1450.5 Ų50.512%0.11627%0.268CS..EExtended strand (participates in β ladder)trans-152.6150.4176.600000110.3L155 E181 F182 T210 S211L155-A157 VanDerWaalsContact CD1-O 3.29Å; L155-A157 WeakPolarHBondContact CD1-O 3.35Å; A157-E181 HydrophobicContact CB-CG 3.98Å; A157-F182 VanDerWaalsContact CA-O 3.28Å; A157-F182 WeakPolarHBondContact CA-O 3.15Å; A157-T210 WeakPolarHBondContact CB-OG1 3.14Å; A157-T210 PolarHBondContact O-N 3.07Å; A157-T210 PolarHBondContact O-OG1 3.28Å; A157-T210 VanDerWaalsContact O-OG1 3.07Å; A157-S211 PolarHBondContact N-O 3.26Å; A157-S211 PolarHBondContact O-N 3.07Å
158F96Very high89.9Confident0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-154.9163.8179.564.3-79.3000112.6V141 T143 L155 V160 F182 A183 L207 Y208 T210V141-F158 HydrophobicContact CB-CE2 4.37Å; V141-F158 HydrophobicContact CB-CZ 4.36Å; V141-F158 HydrophobicContact CG1-CE2 4.32Å; V141-F158 HydrophobicContact CG1-CZ 4.31Å; T143-F158 HydrophobicContact CG2-CE1 3.84Å; T143-F158 HydrophobicContact CG2-CZ 3.83Å; L155-F158 HydrophobicContact CD1-CB 4.27Å; L155-F158 HydrophobicContact CD2-CB 3.89Å; L155-F158 HydrophobicContact CD2-CD1 3.72Å; L155-F158 HydrophobicContact CD2-CE1 4.49Å; L155-F158 HydrophobicContact CD2-CG 3.93Å; L155-F158 HydrophobicContact CG-CB 4.29Å; L155-F158 HydrophobicContact CG-CD1 4.18Å; F158-V160 HydrophobicContact CD2-CG2 3.91Å; F158-V160 HydrophobicContact CE2-CG2 3.61Å; F158-F182 HydrophobicContact CD1-CB 4.07Å; F158-F182 HydrophobicContact CD2-CB 4.2Å; F158-F182 HydrophobicContact CD2-CD2 4.46Å; F158-F182 HydrophobicContact CE1-CB 3.68Å; F158-F182 HydrophobicContact CE2-CB 3.84Å; F158-F182 HydrophobicContact CE2-CD2 4.2Å; F158-F182 HydrophobicContact CE2-CG 4.18Å; F158-F182 HydrophobicContact CG-CB 4.31Å; F158-F182 HydrophobicContact CZ-CB 3.55Å; F158-F182 HydrophobicContact CZ-CG 4.22Å; F158-F182 PolarHBondContact N-O 3.39Å; F158-F182 VanDerWaalsContact N-O 3.08Å; F158-F182 PolarHBondContact O-N 3.11Å; F158-A183 WeakPolarHBondContact CE1-O 3.44Å; F158-L207 HydrophobicContact CD2-CG 4.33Å; F158-L207 HydrophobicContact CE2-CG 4.43Å; F158-Y208 CarbonylContact C-O 3.56Å; F158-Y208 VanDerWaalsContact CA-O 3.24Å; F158-Y208 WeakPolarHBondContact CA-O 3.14Å; F158-Y208 WeakPolarHBondContact CB-O 3.1Å; F158-T210 PolarHBondContact N-OG1 2.85Å
159K96.1Very high90.7Very high62 Ų6254 Ų5427%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-113.3150.1170-67.51711801700109.5F171 H179 Y208 T210K159-F171 HydrophobicContact CB-CD1 4.13Å; K159-F171 HydrophobicContact CB-CE1 4.2Å; K159-H179 HydrophobicContact CD-CB 4.14Å; K159-Y208 PolarHBondContact N-O 2.79Å; K159-Y208 PolarHBondContact O-N 3.07Å; K159-T210 HydrophobicContact CD-CG2 3.97Å; K159-T210 HydrophobicContact CG-CG2 3.97Å
160V96.7Very high91.7Very high1 Ų151.2 Ų51.21%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-111.3135.8173.7-1790000108.7V141 F158 F171 I172 F182 F196 V205 R206V141-V160 HydrophobicContact CG2-CG2 4.1Å; F158-V160 HydrophobicContact CD2-CG2 3.91Å; F158-V160 HydrophobicContact CE2-CG2 3.61Å; V160-F171 WeakPolarHBondContact O-CA 3.1Å; V160-I172 HydrophobicContact CB-CD1 3.87Å; V160-I172 HydrophobicContact CB-CG1 4.19Å; V160-I172 HydrophobicContact CG1-CD1 3.81Å; V160-I172 HydrophobicContact CG1-CG1 4.27Å; V160-I172 PolarHBondContact O-N 2.91Å; V160-F182 HydrophobicContact CB-CD2 4.46Å; V160-F182 HydrophobicContact CB-CE2 3.98Å; V160-F182 HydrophobicContact CG2-CD2 3.85Å; V160-F182 HydrophobicContact CG2-CE2 3.75Å; V160-F196 HydrophobicContact CB-CZ 4.46Å; V160-F196 HydrophobicContact CG1-CZ 3.99Å; V160-F196 HydrophobicContact CG2-CE1 4.21Å; V160-F196 HydrophobicContact CG2-CZ 4.3Å; V160-V205 HydrophobicContact CG1-CG1 3.99Å; V160-R206 WeakPolarHBondContact CA-O 3.19Å
161A96.5Very high92.8Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-125.7152.2166.900000110.6F169 N170 F171 R206 Y208A161-F169 HydrophobicContact CB-CB 4.02Å; A161-F169 HydrophobicContact CB-CD1 4.21Å; A161-N170 CarbonylContact C-O 3.42Å; A161-N170 WeakPolarHBondContact CA-O 3.37Å; A161-N170 WeakPolarHBondContact CB-O 3.38Å; A161-F171 HydrophobicContact CB-CD1 3.81Å; A161-F171 HydrophobicContact CB-CD2 4.49Å; A161-F171 HydrophobicContact CB-CE1 3.89Å; A161-F171 HydrophobicContact CB-CG 4.13Å; A161-F171 HydrophobicContact CB-CZ 4.27Å; A161-R206 PolarHBondContact N-O 2.7Å; A161-R206 PolarHBondContact O-N 3.18Å; A161-Y208 HydrophobicContact CB-CD2 4.34Å; A161-Y208 HydrophobicContact CB-CE2 3.76Å
162Y96.1Very high93.3Very high56 Ų5647.4 Ų47.422%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-134.1154.7-176.663.6-79.4000111.2F169 N170 I172 V200 Y204Y162-F169 WeakPolarHBondContact O-CA 3.4Å; Y162-N170 WeakPolarHBondContact CD1-O 3.4Å; Y162-N170 HydrophobicContact CE1-CB 3.98Å; Y162-N170 HydrophobicContact CE2-CB 4.35Å; Y162-N170 PolarHBondContact N-O 2.76Å; Y162-N170 PolarHBondContact O-N 2.84Å; Y162-I172 HydrophobicContact CD1-CG1 4.07Å; Y162-I172 HydrophobicContact CE1-CG1 4.22Å; Y162-V200 HydrophobicContact CD1-CB 4.22Å; Y162-V200 HydrophobicContact CD1-CG1 4.19Å; Y162-V200 HydrophobicContact CD1-CG2 4.26Å; Y162-V200 HydrophobicContact CD2-CB 4.1Å; Y162-V200 HydrophobicContact CD2-CG2 4.45Å; Y162-V200 HydrophobicContact CE1-CB 4.31Å; Y162-V200 HydrophobicContact CE1-CG1 3.94Å; Y162-V200 HydrophobicContact CE2-CB 4.17Å; Y162-V200 HydrophobicContact CE2-CG1 4.48Å; Y162-V200 HydrophobicContact CG-CB 4.14Å; Y162-V200 HydrophobicContact CG-CG2 4.09Å; Y162-Y204 CarbonylContact C-O 3.53Å; Y162-Y204 WeakPolarHBondContact CA-O 3.5Å
163S96.5Very high93.3Very high4 Ų448.1 Ų48.13%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-151.8149.7-178.9-178.10000111.6N165 G166 E168 Q203 Y204S163-N165 PolarHBondContact OG-N 3.35Å; S163-N165 PolarHBondContact OG-OD1 2.85Å; S163-G166 PolarHBondContact OG-N 3.39Å; S163-E168 WeakPolarHBondContact CB-O 3.47Å; S163-E168 PolarHBondContact OG-O 3.44Å; S163-Q203 PolarHBondContact O-N 3.26Å; S163-Y204 PolarHBondContact N-O 2.76Å; S163-Y204 PolarHBondContact O-N 3.25Å
164L92.6Very high92.8Very high74 Ų7450.2 Ų50.239%0.38724%0.244SC..SBendtrans-94.4-26.2169.8-61.4176.5000112.4R135 E201R135-L164 HydrophobicContact CG-CD2 4.21Å; L164-E201 HydrophobicContact CD2-CG 4.03Å
165N90.7Very high92Very high70 Ų7054.3 Ų54.337%0.37427%0.272SS..SBendtrans-106-16.1-174.763.520.9000113.9S163 H167 E168S163-N165 PolarHBondContact OG-N 3.35Å; S163-N165 PolarHBondContact OG-OD1 2.85Å; N165-H167 VanDerWaalsContact C-N 3.27Å; N165-H167 PolarHBondContact O-CD2 2.83Å; N165-H167 PolarHBondContact O-N 3.14Å; N165-H167 PolarHBondContact OD1-N 3.06Å; N165-E168 PolarHBondContact ND2-OE2 2.7Å; N165-E168 PolarHBondContact OD1-N 2.89Å
166G89.1Confident91.4Very high16 Ų1660 Ų6017%0.16530%0.302CS..SBendtrans79.44.9-178.400000114.6S163 F169 Y204S163-G166 PolarHBondContact OG-N 3.39Å; G166-F169 WeakPolarHBondContact O-CE2 3.29Å; G166-Y204 VanDerWaalsContact CA-CD2 3.46Å; G166-Y204 VanDerWaalsContact N-CD2 3.33Å
167H89.5Confident90.6Very high167 Ų16763.6 Ų63.677%0.77332%0.32SS*.SBendtrans-112.8-49.2178.7-67.1-78.6000111.7N165N165-H167 VanDerWaalsContact C-N 3.27Å; N165-H167 PolarHBondContact O-CD2 2.83Å; N165-H167 PolarHBondContact O-N 3.14Å; N165-H167 PolarHBondContact OD1-N 3.06Å
168E93.4Very high90Very high140 Ų14070.5 Ų70.565%0.65435%0.348SS*.SBendtrans-102.1123.7-179.3-65.4168.5151.800109.5S163 N165S163-E168 WeakPolarHBondContact CB-O 3.47Å; S163-E168 PolarHBondContact OG-O 3.44Å; N165-E168 PolarHBondContact ND2-OE2 2.7Å; N165-E168 PolarHBondContact OD1-N 2.89Å
169F94.4Very high89.6Confident33 Ų3374.6 Ų74.615%0.14537%0.367CS..  trans-118.3123.9-175.8-78.2-95.9000111.1A161 Y162 G166 R206A161-F169 HydrophobicContact CB-CB 4.02Å; A161-F169 HydrophobicContact CB-CD1 4.21Å; Y162-F169 WeakPolarHBondContact O-CA 3.4Å; G166-F169 WeakPolarHBondContact O-CE2 3.29Å; F169-R206 HydrophobicContact CD1-CB 4.28Å; F169-R206 HydrophobicContact CD1-CG 4.06Å; F169-R206 HydrophobicContact CE1-CB 4.19Å; F169-R206 HydrophobicContact CE1-CG 3.59Å; F169-R206 VanDerWaalsContact CE2-NH2 3.3Å; F169-R206 HydrophobicContact CZ-CG 4.04Å; F169-R206 VanDerWaalsContact CZ-NE 3.34Å
170N94.6Very high89.3Confident98 Ų9873.8 Ų73.852%0.52436%0.363SS..EExtended strand (participates in β ladder)trans-93.9136.3172.3-63.5-37000108.9A161 Y162A161-N170 CarbonylContact C-O 3.42Å; A161-N170 WeakPolarHBondContact CA-O 3.37Å; A161-N170 WeakPolarHBondContact CB-O 3.38Å; Y162-N170 WeakPolarHBondContact CD1-O 3.4Å; Y162-N170 HydrophobicContact CE1-CB 3.98Å; Y162-N170 HydrophobicContact CE2-CB 4.35Å; Y162-N170 PolarHBondContact N-O 2.76Å; Y162-N170 PolarHBondContact O-N 2.84Å
171F94.8Very high89.2Confident47 Ų4778.9 Ų78.921%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-79.7153.5173.8-74.5-87.8000110.4K159 V160 A161 H173 H179 Y208K159-F171 HydrophobicContact CB-CD1 4.13Å; K159-F171 HydrophobicContact CB-CE1 4.2Å; V160-F171 WeakPolarHBondContact O-CA 3.1Å; A161-F171 HydrophobicContact CB-CD1 3.81Å; A161-F171 HydrophobicContact CB-CD2 4.49Å; A161-F171 HydrophobicContact CB-CE1 3.89Å; A161-F171 HydrophobicContact CB-CG 4.13Å; A161-F171 HydrophobicContact CB-CZ 4.27Å; F171-H173 PolarHBondContact O-CD2 2.77Å; F171-H173 PolarHBondContact O-NE2 3.5Å; F171-H179 HydrophobicContact CB-CB 4.23Å; F171-H179 AromaticContact CD1-ND1 3.88Å; F171-H179 AromaticContact CD2-CE1 3.34Å; F171-H179 WeakPolarHBondContact CD2-CE1 3.44Å; F171-H179 AromaticContact CD2-ND1 3.53Å; F171-H179 AromaticContact CE2-CE1 3.85Å; F171-H179 AromaticContact CG-CE1 3.72Å; F171-H179 AromaticContact CG-CG 3.9Å; F171-H179 AromaticContact CG-ND1 3.44Å; F171-H179 WeakPolarHBondContact CG-ND1 3.08Å; F171-Y208 AromaticContact CE1-CD2 3.77Å; F171-Y208 HydrophobicContact CE1-CD2 3.77Å; F171-Y208 AromaticContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CG 4.3Å; F171-Y208 HydrophobicContact CZ-CD2 4.27Å; F171-Y208 HydrophobicContact CZ-CE2 4.07Å
172I91.9Very high89Confident9 Ų979.3 Ų79.35%0.04639%0.389CS..PPolyproline II helixtrans-71.1131.9164.9-57.5-174.1000107.6V160 Y162 K180 F182 F196 V200V160-I172 HydrophobicContact CB-CD1 3.87Å; V160-I172 HydrophobicContact CB-CG1 4.19Å; V160-I172 HydrophobicContact CG1-CD1 3.81Å; V160-I172 HydrophobicContact CG1-CG1 4.27Å; V160-I172 PolarHBondContact O-N 2.91Å; Y162-I172 HydrophobicContact CD1-CG1 4.07Å; Y162-I172 HydrophobicContact CE1-CG1 4.22Å; I172-K180 HydrophobicContact CG2-CB 4.24Å; I172-K180 WeakPolarHBondContact O-CB 3.43Å; I172-K180 PolarHBondContact O-N 2.83Å; I172-F182 HydrophobicContact CB-CE2 4.31Å; I172-F182 HydrophobicContact CB-CZ 4.34Å; I172-F182 HydrophobicContact CD1-CE2 4.4Å; I172-F182 HydrophobicContact CD1-CZ 4.17Å; I172-F182 HydrophobicContact CG2-CZ 4.1Å; I172-F196 HydrophobicContact CD1-CD1 3.69Å; I172-F196 HydrophobicContact CD1-CD2 3.52Å; I172-F196 HydrophobicContact CD1-CE1 3.59Å; I172-F196 HydrophobicContact CD1-CE2 3.41Å; I172-F196 VanDerWaalsContact CD1-CE2 3.41Å; I172-F196 HydrophobicContact CD1-CG 3.67Å; I172-F196 HydrophobicContact CD1-CZ 3.46Å; I172-F196 VanDerWaalsContact CD1-CZ 3.46Å; I172-V200 HydrophobicContact CD1-CG1 4.34Å; I172-V200 HydrophobicContact CD1-CG2 4.49Å; I172-V200 HydrophobicContact CG1-CG1 4.33Å
173H87.4Confident88.8Confident96 Ų9678.8 Ų78.844%0.44440%0.396SS..BIsolated β-bridgetrans-98.9150.4179.8-65.9-97.7000111.1F171 E177 K178 H179F171-H173 PolarHBondContact O-CD2 2.77Å; F171-H173 PolarHBondContact O-NE2 3.5Å; H173-E177 PolarHBondContact ND1-O 3.18Å; H173-K178 CarbonylContact C-O 3.52Å; H173-K178 WeakPolarHBondContact CA-O 3.33Å; H173-H179 AromaticContact CE1-CD2 3.91Å
174D79.1Confident88.5Confident47 Ų4778.6 Ų78.625%0.25139%0.394SS..PPolyproline II helixtrans-81.3169.2168.4-171.538.4000110.5N176 E177 K178 K180D174-N176 PolarHBondContact O-N 2.86Å; D174-N176 PolarHBondContact OD2-ND2 2.97Å; D174-N176 VanDerWaalsContact OD2-ND2 3.14Å; D174-E177 PolarHBondContact O-N 2.88Å; D174-K178 PolarHBondContact N-O 2.96Å; D174-K180 HydrophobicContact CB-CB 4.49Å; D174-K180 HydrophobicContact CB-CD 3.7Å; D174-K180 WeakPolarHBondContact OD1-CD 3.44Å; D174-K180 IonicContact OD1-NZ 3.53Å; D174-K180 PolarHBondContact OD1-NZ 2.88Å
175V75.9Confident88.4Confident115 Ų11575.1 Ų75.170%0.69738%0.376SS*.THydrogen-bonded Turntrans-52.3-23.6175.5-171.80000112.8E197V175-E197 WeakPolarHBondContact CG2-OE2 3.27Å
176N81.1Confident88.1Confident119 Ų11981.1 Ų81.164%0.63639%0.394SS*.THydrogen-bonded Turntrans-9721.6178.5-55.1-76.7000114.1D174 K178D174-N176 PolarHBondContact O-N 2.86Å; D174-N176 PolarHBondContact OD2-ND2 2.97Å; D174-N176 VanDerWaalsContact OD2-ND2 3.14Å; N176-K178 PolarHBondContact O-N 2.93Å
177E75.5Confident87.7Confident167 Ų16783.7 Ų83.778%0.7840%0.404SS*.SBendtrans57.63.7-178.1-59.6-171.1154.400116.5H173 D174H173-E177 PolarHBondContact ND1-O 3.18Å; D174-E177 PolarHBondContact O-N 2.88Å
178K82.6Confident87Confident160 Ų16078.7 Ų78.770%0.69638%0.38SS*.SBendtrans-79.4154.7172.3-68.3-179.8-178.9176.10110.9H173 D174 N176 K180H173-K178 CarbonylContact C-O 3.52Å; H173-K178 WeakPolarHBondContact CA-O 3.33Å; D174-K178 PolarHBondContact N-O 2.96Å; N176-K178 PolarHBondContact O-N 2.93Å; K178-K180 PolarHBondContact O-N 2.77Å; K178-K180 VanDerWaalsContact O-N 3.12Å
179H87.6Confident86.3Confident86 Ų8676.5 Ų76.540%0.39837%0.373SS..BIsolated β-bridgetrans-58.8119.6175.6-59.6-172.2000109.7K159 F171 H173 E181K159-H179 HydrophobicContact CD-CB 4.14Å; F171-H179 HydrophobicContact CB-CB 4.23Å; F171-H179 AromaticContact CD1-ND1 3.88Å; F171-H179 AromaticContact CD2-CE1 3.34Å; F171-H179 WeakPolarHBondContact CD2-CE1 3.44Å; F171-H179 AromaticContact CD2-ND1 3.53Å; F171-H179 AromaticContact CE2-CE1 3.85Å; F171-H179 AromaticContact CG-CE1 3.72Å; F171-H179 AromaticContact CG-CG 3.9Å; F171-H179 AromaticContact CG-ND1 3.44Å; F171-H179 WeakPolarHBondContact CG-ND1 3.08Å; H173-H179 AromaticContact CE1-CD2 3.91Å; H179-E181 PolarHBondContact O-N 3.12Å
180K90.3Very high85.9Confident44 Ų4477.1 Ų77.119%0.19138%0.384CS..PPolyproline II helixtrans-61.2122.3-179.8-168.980.7-179.1-166.50109.5I172 D174 K178 F182 E197I172-K180 HydrophobicContact CG2-CB 4.24Å; I172-K180 WeakPolarHBondContact O-CB 3.43Å; I172-K180 PolarHBondContact O-N 2.83Å; D174-K180 HydrophobicContact CB-CB 4.49Å; D174-K180 HydrophobicContact CB-CD 3.7Å; D174-K180 WeakPolarHBondContact OD1-CD 3.44Å; D174-K180 IonicContact OD1-NZ 3.53Å; D174-K180 PolarHBondContact OD1-NZ 2.88Å; K178-K180 PolarHBondContact O-N 2.77Å; K178-K180 VanDerWaalsContact O-N 3.12Å; K180-F182 HydrophobicContact CB-CE2 4.02Å; K180-F182 HydrophobicContact CB-CZ 4.14Å; K180-F182 HydrophobicContact CG-CD1 4.39Å; K180-F182 HydrophobicContact CG-CD2 4.38Å; K180-F182 HydrophobicContact CG-CE1 3.95Å; K180-F182 HydrophobicContact CG-CE2 3.94Å; K180-F182 HydrophobicContact CG-CZ 3.72Å; K180-E197 IonicContact NZ-OE1 3.88Å; K180-E197 PolarHBondContact NZ-OE1 2.8Å
181E92.8Very high85.6Confident108 Ų10875.7 Ų75.751%0.50538%0.379SS..EExtended strand (participates in β ladder)trans-96.9117.3170.1-175.1156.8-131.700108.8A157 H179 T210A157-E181 HydrophobicContact CB-CG 3.98Å; H179-E181 PolarHBondContact O-N 3.12Å; E181-T210 WeakPolarHBondContact OE1-CB 3.31Å; E181-T210 PolarHBondContact OE1-OG1 2.96Å
182F92.9Very high85.4Confident10 Ų1075.6 Ų75.64%0.04438%0.379CS..EExtended strand (participates in β ladder)trans-89.7141.7-179.3-66.5-82.2000110.3A157 F158 V160 I172 K180 N194 F196A157-F182 VanDerWaalsContact CA-O 3.28Å; A157-F182 WeakPolarHBondContact CA-O 3.15Å; F158-F182 HydrophobicContact CD1-CB 4.07Å; F158-F182 HydrophobicContact CD2-CB 4.2Å; F158-F182 HydrophobicContact CD2-CD2 4.46Å; F158-F182 HydrophobicContact CE1-CB 3.68Å; F158-F182 HydrophobicContact CE2-CB 3.84Å; F158-F182 HydrophobicContact CE2-CD2 4.2Å; F158-F182 HydrophobicContact CE2-CG 4.18Å; F158-F182 HydrophobicContact CG-CB 4.31Å; F158-F182 HydrophobicContact CZ-CB 3.55Å; F158-F182 HydrophobicContact CZ-CG 4.22Å; F158-F182 PolarHBondContact N-O 3.39Å; F158-F182 VanDerWaalsContact N-O 3.08Å; F158-F182 PolarHBondContact O-N 3.11Å; V160-F182 HydrophobicContact CB-CD2 4.46Å; V160-F182 HydrophobicContact CB-CE2 3.98Å; V160-F182 HydrophobicContact CG2-CD2 3.85Å; V160-F182 HydrophobicContact CG2-CE2 3.75Å; I172-F182 HydrophobicContact CB-CE2 4.31Å; I172-F182 HydrophobicContact CB-CZ 4.34Å; I172-F182 HydrophobicContact CD1-CE2 4.4Å; I172-F182 HydrophobicContact CD1-CZ 4.17Å; I172-F182 HydrophobicContact CG2-CZ 4.1Å; K180-F182 HydrophobicContact CB-CE2 4.02Å; K180-F182 HydrophobicContact CB-CZ 4.14Å; K180-F182 HydrophobicContact CG-CD1 4.39Å; K180-F182 HydrophobicContact CG-CD2 4.38Å; K180-F182 HydrophobicContact CG-CE1 3.95Å; K180-F182 HydrophobicContact CG-CE2 3.94Å; K180-F182 HydrophobicContact CG-CZ 3.72Å; F182-N194 HydrophobicContact CD1-CB 3.77Å; F182-N194 HydrophobicContact CE1-CB 4.43Å; F182-N194 HydrophobicContact CG-CB 4.45Å; F182-F196 AromaticContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CE1 4.09Å; F182-F196 HydrophobicContact CE2-CE1 4.37Å; F182-F196 AromaticContact CZ-CD1 3.58Å; F182-F196 HydrophobicContact CZ-CD1 3.58Å; F182-F196 AromaticContact CZ-CE1 3.77Å; F182-F196 HydrophobicContact CZ-CE1 3.77Å
183A91.9Very high85.4Confident44 Ų4478.9 Ų78.936%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-69.9134.6172.500000109.7F158 H192 N194F158-A183 WeakPolarHBondContact CE1-O 3.44Å; A183-H192 PolarHBondContact O-CD2 2.84Å; A183-N194 PolarHBondContact O-ND2 3.29Å; A183-N194 PolarHBondContact O-OD1 2.87Å
184G89.7Confident85.5Confident0 Ų075.2 Ų75.20%038%0.382CS..  trans-90.3-152.5173.200000112.1L155 K156 H192L155-G184 CarbonylContact O-C 3.59Å; L155-G184 WeakPolarHBondContact O-CA 3.21Å; K156-G184 WeakPolarHBondContact O-CA 3.37Å; K156-G184 PolarHBondContact O-N 3Å; G184-H192 PolarHBondContact O-CD2 2.87Å
185N91.6Very high86Confident1 Ų177.6 Ų77.61%0.00540%0.395CS..  trans-81.7156.2177.4-56.7103000112T143 Q144 G145 Y154 L155 A190T143-N185 VanDerWaalsContact C-ND2 3.3Å; T143-N185 PolarHBondContact O-ND2 2.84Å; T143-N185 PolarHBondContact OG1-OD1 2.9Å; Q144-N185 WeakPolarHBondContact CA-ND2 3.26Å; Q144-N185 WeakPolarHBondContact CA-OD1 3.47Å; Q144-N185 PolarHBondContact N-OD1 3.11Å; G145-N185 PolarHBondContact N-OD1 2.93Å; Y154-N185 HydrophobicContact CD2-CB 4.15Å; Y154-N185 WeakPolarHBondContact CD2-O 3.31Å; Y154-N185 WeakPolarHBondContact CE2-O 3.4Å; L155-N185 PolarHBondContact O-N 3.35Å; N185-A190 PolarHBondContact ND2-O 2.98Å
186W83.4Confident86.6Confident196 Ų19673 Ų7374%0.74237%0.365SS*.SBendtrans-103-10.4167.6-58.2-48.7000113.5Y154Y154-W186 PolarHBondContact OH-O 2.92Å
187N81.3Confident86.6Confident70 Ų7072.6 Ų72.637%0.37436%0.36SS..SBendtrans-155.4177.4175.771.863.9000111.9N189 A190N187-N189 PolarHBondContact O-N 3.45Å; N187-N189 PolarHBondContact OD1-N 2.82Å; N187-A190 WeakPolarHBondContact ND2-CB 3.22Å; N187-A190 WeakPolarHBondContact OD1-CB 3.49Å; N187-A190 PolarHBondContact OD1-N 2.83Å
188K75.1Confident86.8Confident62 Ų6268.7 Ų68.727%0.2735%0.347SS..SBendtrans-67.3-24.2-174.562.7162.6-179.1-168.10117G145 A146 S147 H152 R219G145-K188 CarbonylContact C-O 3.34Å; G145-K188 VanDerWaalsContact C-O 3.25Å; G145-K188 VanDerWaalsContact O-O 3.07Å; A146-K188 WeakPolarHBondContact O-CB 3.47Å; S147-K188 WeakPolarHBondContact OG-CD 3.28Å; H152-K188 VanDerWaalsContact ND1-CD 3.35Å; H152-K188 WeakPolarHBondContact ND1-CD 3.33Å; H152-K188 VanDerWaalsContact ND1-CG 3.33Å; H152-K188 WeakPolarHBondContact ND1-CG 3.41Å; K188-R219 PolarHBondContact O-NH2 3.18Å; K188-R219 VanDerWaalsContact O-NH2 3.11Å
189N78.8Confident86.9Confident95 Ų9563.6 Ų63.651%0.50833%0.331SS..SBendtrans-119.5-32.5-165.6-76.6-0.2000112.9Q144 N187 V191Q144-N189 PolarHBondContact NE2-O 3.34Å; N187-N189 PolarHBondContact O-N 3.45Å; N187-N189 PolarHBondContact OD1-N 2.82Å; N189-V191 PolarHBondContact O-N 3.3Å
190A85.5Confident87Confident45 Ų4560 Ų6037%0.37232%0.315SS..  trans-64.2121.1-179.100000110.3N185 N187N185-A190 PolarHBondContact ND2-O 2.98Å; N187-A190 WeakPolarHBondContact ND2-CB 3.22Å; N187-A190 WeakPolarHBondContact OD1-CB 3.49Å; N187-A190 PolarHBondContact OD1-N 2.83Å
191V89.1Confident87.1Confident69 Ų6960.7 Ų60.742%0.41832%0.319SS..  trans-74.1128.9173.21790000108.2L108 V142 T143 Q144 N189L108-V191 HydrophobicContact CD1-CG1 4.4Å; L108-V191 HydrophobicContact CD1-CG2 4.44Å; V142-V191 HydrophobicContact CG1-CG1 3.14Å; T143-V191 WeakPolarHBondContact O-CA 3.48Å; Q144-V191 HydrophobicContact CG-CG2 4.44Å; N189-V191 PolarHBondContact O-N 3.3Å
192H90Very high87.1Confident45 Ų4555.6 Ų55.621%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-121.8124.5179-170.868.2000110.2V142 T143 A183 G184 N194V142-H192 WeakPolarHBondContact CA-O 3.17Å; T143-H192 PolarHBondContact N-O 3.36Å; T143-H192 PolarHBondContact O-N 2.71Å; T143-H192 PolarHBondContact OG1-O 2.81Å; A183-H192 PolarHBondContact O-CD2 2.84Å; G184-H192 PolarHBondContact O-CD2 2.87Å; H192-N194 PolarHBondContact CD2-ND2 2.86Å
193V91.3Very high87.1Confident77 Ų7757 Ų5747%0.46730%0.302SS..EExtended strand (participates in β ladder)trans-103.9119.7-173.5-176.90000109V142 L195 L223V142-V193 HydrophobicContact CG1-CG2 4.26Å; V142-V193 HydrophobicContact CG2-CG1 4.3Å; V142-V193 HydrophobicContact CG2-CG2 4.13Å; V193-L195 HydrophobicContact CG1-CD2 4.21Å; V193-L195 HydrophobicContact CG1-CG 4.35Å; V193-L223 HydrophobicContact CG1-CD1 4.05Å
194N90.7Very high87.3Confident19 Ų1957 Ų5710%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-106.7116.4168.3-71-90.2000108.3G140 V141 F182 A183 H192G140-N194 CarbonylContact C-O 3.55Å; G140-N194 WeakPolarHBondContact CA-O 3.45Å; V141-N194 PolarHBondContact N-O 3.31Å; V141-N194 PolarHBondContact O-N 2.9Å; F182-N194 HydrophobicContact CD1-CB 3.77Å; F182-N194 HydrophobicContact CE1-CB 4.43Å; F182-N194 HydrophobicContact CG-CB 4.45Å; A183-N194 PolarHBondContact O-ND2 3.29Å; A183-N194 PolarHBondContact O-OD1 2.87Å; H192-N194 PolarHBondContact CD2-ND2 2.86Å
195L89Confident87.7Confident98 Ų9857 Ų5751%0.51329%0.293SS..EExtended strand (participates in β ladder)trans-90.2150166.2-61.6179.1000109.2I71 T139 V193 L223I71-L195 HydrophobicContact CG2-CD2 4.43Å; T139-L195 WeakPolarHBondContact O-CA 3.48Å; V193-L195 HydrophobicContact CG1-CD2 4.21Å; V193-L195 HydrophobicContact CG1-CG 4.35Å; L195-L223 HydrophobicContact CD2-CD1 3.95Å
196F88.4Confident88Confident18 Ų1859 Ų598%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-85.6142.2172-52.1-24000108.9V138 T139 V141 V160 I172 F182 T198 V200V138-F196 HydrophobicContact CB-CE2 4.25Å; V138-F196 HydrophobicContact CG1-CE2 3.77Å; V138-F196 HydrophobicContact CG1-CZ 4.35Å; V138-F196 WeakPolarHBondContact O-CD2 3.46Å; T139-F196 PolarHBondContact O-N 2.87Å; V141-F196 HydrophobicContact CG2-CE1 3.97Å; V141-F196 HydrophobicContact CG2-CZ 3.76Å; V160-F196 HydrophobicContact CB-CZ 4.46Å; V160-F196 HydrophobicContact CG1-CZ 3.99Å; V160-F196 HydrophobicContact CG2-CE1 4.21Å; V160-F196 HydrophobicContact CG2-CZ 4.3Å; I172-F196 HydrophobicContact CD1-CD1 3.69Å; I172-F196 HydrophobicContact CD1-CD2 3.52Å; I172-F196 HydrophobicContact CD1-CE1 3.59Å; I172-F196 HydrophobicContact CD1-CE2 3.41Å; I172-F196 VanDerWaalsContact CD1-CE2 3.41Å; I172-F196 HydrophobicContact CD1-CG 3.67Å; I172-F196 HydrophobicContact CD1-CZ 3.46Å; I172-F196 VanDerWaalsContact CD1-CZ 3.46Å; F182-F196 AromaticContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CD1 3.74Å; F182-F196 HydrophobicContact CE1-CE1 4.09Å; F182-F196 HydrophobicContact CE2-CE1 4.37Å; F182-F196 AromaticContact CZ-CD1 3.58Å; F182-F196 HydrophobicContact CZ-CD1 3.58Å; F182-F196 AromaticContact CZ-CE1 3.77Å; F182-F196 HydrophobicContact CZ-CE1 3.77Å; F196-T198 VanDerWaalsContact C-N 3.27Å; F196-T198 WeakPolarHBondContact CB-O 3.48Å; F196-T198 PolarHBondContact O-N 2.88Å; F196-V200 HydrophobicContact CD2-CG2 4.12Å; F196-V200 HydrophobicContact CE2-CG2 3.99Å
197E80.9Confident88.6Confident111 Ų11149.7 Ų49.752%0.51927%0.265SS..EExtended strand (participates in β ladder)trans-64.3-36.6175.7-72.9164.4-148.200111.1V175 K180V175-E197 WeakPolarHBondContact CG2-OE2 3.27Å; K180-E197 IonicContact NZ-OE1 3.88Å; K180-E197 PolarHBondContact NZ-OE1 2.8Å
198T79.3Confident89.4Confident85 Ų8547.4 Ų47.452%0.52125%0.251SS..EExtended strand (participates in β ladder)trans-120.1137.9170.652.10000110.3F196F196-T198 VanDerWaalsContact C-N 3.27Å; F196-T198 WeakPolarHBondContact CB-O 3.48Å; F196-T198 PolarHBondContact O-N 2.88Å
199P85.3Confident90.3Very high53 Ų5345.1 Ų45.134%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-68.4141.9173.732.1-36.6000109.8W137 T139W137-P199 HydrophobicContact CD2-CB 4.35Å; W137-P199 HydrophobicContact CE3-CB 3.74Å; W137-P199 HydrophobicContact CE3-CG 4.18Å; W137-P199 HydrophobicContact CZ3-CB 4.16Å; W137-P199 HydrophobicContact CZ3-CG 4.16Å; W137-P199 WeakPolarHBondContact CZ3-O 3.38Å; T139-P199 HydrophobicContact CG2-CB 3.85Å
200V90.5Very high91Very high11 Ų1143.4 Ų43.47%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-112.2133.3179.9-60.10000111.7V138 Y162 I172 F196 A202V138-V200 HydrophobicContact CB-CG2 4.01Å; V138-V200 PolarHBondContact N-O 3.3Å; V138-V200 PolarHBondContact O-N 3.31Å; Y162-V200 HydrophobicContact CD1-CB 4.22Å; Y162-V200 HydrophobicContact CD1-CG1 4.19Å; Y162-V200 HydrophobicContact CD1-CG2 4.26Å; Y162-V200 HydrophobicContact CD2-CB 4.1Å; Y162-V200 HydrophobicContact CD2-CG2 4.45Å; Y162-V200 HydrophobicContact CE1-CB 4.31Å; Y162-V200 HydrophobicContact CE1-CG1 3.94Å; Y162-V200 HydrophobicContact CE2-CB 4.17Å; Y162-V200 HydrophobicContact CE2-CG1 4.48Å; Y162-V200 HydrophobicContact CG-CB 4.14Å; Y162-V200 HydrophobicContact CG-CG2 4.09Å; I172-V200 HydrophobicContact CD1-CG1 4.34Å; I172-V200 HydrophobicContact CD1-CG2 4.49Å; I172-V200 HydrophobicContact CG1-CG1 4.33Å; F196-V200 HydrophobicContact CD2-CG2 4.12Å; F196-V200 HydrophobicContact CE2-CG2 3.99Å; V200-A202 PolarHBondContact O-N 2.79Å
201E91.1Very high91.4Very high58 Ų5843.8 Ų43.827%0.27124%0.235SC..EExtended strand (participates in β ladder)trans-77.4118170.8-170.3-166.9157.800108.8R135 W137 L164 L227R135-E201 HydrophobicContact CB-CG 4.46Å; R135-E201 VanDerWaalsContact CD-OE1 3.28Å; R135-E201 WeakPolarHBondContact CD-OE1 3.3Å; R135-E201 IonicContact CZ-OE1 2.69Å; R135-E201 IonicContact NE-OE1 3.18Å; R135-E201 IonicContact NH1-OE1 2.61Å; R135-E201 PolarHBondContact NH1-OE1 3.1Å; W137-E201 HydrophobicContact CE3-CB 4.45Å; W137-E201 HydrophobicContact CZ3-CB 4.21Å; L164-E201 HydrophobicContact CD2-CG 4.03Å; E201-L227 HydrophobicContact CG-CD1 4.25Å; E201-L227 HydrophobicContact CG-CD2 4.28Å
202A93.3Very high91.6Very high0 Ų041.9 Ų41.90%023%0.225CC..EExtended strand (participates in β ladder)trans-144.3146.3-175.700000112.3M136 V138 V200 V205M136-A202 PolarHBondContact N-O 3.32Å; M136-A202 PolarHBondContact O-N 2.8Å; V138-A202 HydrophobicContact CG2-CB 3.96Å; V200-A202 PolarHBondContact O-N 2.79Å; A202-V205 HydrophobicContact CB-CG2 4.04Å
203Q93Very high91.6Very high41 Ų4142.9 Ų42.919%0.19223%0.229CC..EExtended strand (participates in β ladder)trans-105.3-35.2159.4175.7171.7-19.200111.1N131 L132 R134 S163N131-Q203 PolarHBondContact OD1-NE2 2.86Å; L132-Q203 WeakPolarHBondContact CB-O 3.44Å; L132-Q203 PolarHBondContact N-O 2.77Å; R134-Q203 WeakPolarHBondContact O-CA 3.5Å; S163-Q203 PolarHBondContact O-N 3.26Å
204Y96.6Very high91.5Very high43 Ų4343.5 Ų43.517%0.16923%0.234CC..EExtended strand (participates in β ladder)trans-115.1128.5177.6-58.3-96.7000109.2V130 N131 Y162 S163 G166V130-Y204 WeakPolarHBondContact O-CA 3.39Å; N131-Y204 HydrophobicContact CB-CD1 3.81Å; N131-Y204 HydrophobicContact CB-CE1 3.68Å; N131-Y204 VanDerWaalsContact ND2-CE1 3.32Å; N131-Y204 WeakPolarHBondContact ND2-CE1 3.38Å; N131-Y204 PolarHBondContact ND2-OH 3.01Å; Y162-Y204 CarbonylContact C-O 3.53Å; Y162-Y204 WeakPolarHBondContact CA-O 3.5Å; S163-Y204 PolarHBondContact N-O 2.76Å; S163-Y204 PolarHBondContact O-N 3.25Å; G166-Y204 VanDerWaalsContact CA-CD2 3.46Å; G166-Y204 VanDerWaalsContact N-CD2 3.33Å
205V97.7Very high91.4Very high1 Ų143 Ų431%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-118131.7175.4-175.80000108.2Q129 V130 L132 V138 V160 A202 L207 L222Q129-V205 CarbonylContact C-O 3.55Å; Q129-V205 VanDerWaalsContact CA-O 3.25Å; Q129-V205 WeakPolarHBondContact CA-O 3.31Å; V130-V205 PolarHBondContact N-O 2.87Å; V130-V205 PolarHBondContact O-N 2.89Å; L132-V205 HydrophobicContact CD1-CG2 4.13Å; V138-V205 HydrophobicContact CG1-CG2 4.4Å; V138-V205 HydrophobicContact CG2-CG2 3.86Å; V160-V205 HydrophobicContact CG1-CG1 3.99Å; A202-V205 HydrophobicContact CB-CG2 4.04Å; V205-L207 HydrophobicContact CG1-CD1 3.91Å; V205-L222 HydrophobicContact CB-CD1 4.14Å; V205-L222 HydrophobicContact CG1-CD1 4.44Å; V205-L222 HydrophobicContact CG1-CD2 4.13Å; V205-L222 HydrophobicContact CG2-CD1 4.22Å
206R97.3Very high91.6Very high41 Ų4139.7 Ų39.716%0.15522%0.217CC..EExtended strand (participates in β ladder)trans-118.6133.8173.4-78.8-176-175.7165.36.5111.1W127 I128 Q129 V160 A161 F169 Y208W127-R206 HydrophobicContact CE3-CG 4.37Å; I128-R206 CarbonylContact O-C 3.38Å; I128-R206 VanDerWaalsContact O-CA 3.29Å; I128-R206 WeakPolarHBondContact O-CA 3.43Å; Q129-R206 HydrophobicContact CB-CG 3.79Å; Q129-R206 HydrophobicContact CG-CG 3.84Å; Q129-R206 VanDerWaalsContact OE1-CZ 3.26Å; V160-R206 WeakPolarHBondContact CA-O 3.19Å; A161-R206 PolarHBondContact N-O 2.7Å; A161-R206 PolarHBondContact O-N 3.18Å; F169-R206 HydrophobicContact CD1-CB 4.28Å; F169-R206 HydrophobicContact CD1-CG 4.06Å; F169-R206 HydrophobicContact CE1-CB 4.19Å; F169-R206 HydrophobicContact CE1-CG 3.59Å; F169-R206 VanDerWaalsContact CE2-NH2 3.3Å; F169-R206 HydrophobicContact CZ-CG 4.04Å; F169-R206 VanDerWaalsContact CZ-NE 3.34Å; R206-Y208 HydrophobicContact CB-CD2 4.14Å; R206-Y208 HydrophobicContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CD-OH 3.24Å; R206-Y208 WeakPolarHBondContact CD-OH 3.32Å; R206-Y208 HydrophobicContact CG-CE2 4.41Å; R206-Y208 PolarHBondContact NH1-OH 3.18Å
207L97.3Very high91.9Very high1 Ų138.8 Ų38.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-106.1128.8169.2-75.656.7000108W127 I128 V141 F158 V205 L218 F220 L222W127-L207 VanDerWaalsContact CA-O 3.3Å; W127-L207 WeakPolarHBondContact CA-O 3.42Å; I128-L207 HydrophobicContact CG2-CB 3.99Å; I128-L207 PolarHBondContact N-O 2.99Å; I128-L207 VanDerWaalsContact N-O 3.09Å; I128-L207 PolarHBondContact O-N 3.46Å; V141-L207 HydrophobicContact CG1-CD2 3.77Å; V141-L207 HydrophobicContact CG1-CG 4.5Å; V141-L207 HydrophobicContact CG2-CD1 4.49Å; F158-L207 HydrophobicContact CD2-CG 4.33Å; F158-L207 HydrophobicContact CE2-CG 4.43Å; V205-L207 HydrophobicContact CG1-CD1 3.91Å; L207-L218 HydrophobicContact CD2-CD2 3.79Å; L207-F220 HydrophobicContact CD1-CE2 4.29Å; L207-F220 HydrophobicContact CD2-CD1 4.43Å; L207-F220 HydrophobicContact CD2-CD2 3.83Å; L207-F220 HydrophobicContact CD2-CE2 4.03Å; L207-F220 HydrophobicContact CD2-CG 4.03Å; L207-F220 HydrophobicContact CD2-CZ 4.42Å; L207-L222 HydrophobicContact CD1-CD2 4.36Å
208Y96.3Very high92.5Very high23 Ų2333.5 Ų33.59%0.0919%0.188CC..EExtended strand (participates in β ladder)trans-114104.5179.8-69.6-96000109.6W127 F158 K159 A161 F171 R206 T210W127-Y208 HydrophobicContact CB-CD1 3.78Å; W127-Y208 HydrophobicContact CB-CE1 3.68Å; W127-Y208 HydrophobicContact CB-CG 4.27Å; W127-Y208 AromaticContact CD1-CE1 3.94Å; W127-Y208 HydrophobicContact CG-CE1 4.06Å; F158-Y208 CarbonylContact C-O 3.56Å; F158-Y208 VanDerWaalsContact CA-O 3.24Å; F158-Y208 WeakPolarHBondContact CA-O 3.14Å; F158-Y208 WeakPolarHBondContact CB-O 3.1Å; K159-Y208 PolarHBondContact N-O 2.79Å; K159-Y208 PolarHBondContact O-N 3.07Å; A161-Y208 HydrophobicContact CB-CD2 4.34Å; A161-Y208 HydrophobicContact CB-CE2 3.76Å; F171-Y208 AromaticContact CE1-CD2 3.77Å; F171-Y208 HydrophobicContact CE1-CD2 3.77Å; F171-Y208 AromaticContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CE2 3.94Å; F171-Y208 HydrophobicContact CE1-CG 4.3Å; F171-Y208 HydrophobicContact CZ-CD2 4.27Å; F171-Y208 HydrophobicContact CZ-CE2 4.07Å; R206-Y208 HydrophobicContact CB-CD2 4.14Å; R206-Y208 HydrophobicContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CB-CE2 3.5Å; R206-Y208 VanDerWaalsContact CD-OH 3.24Å; R206-Y208 WeakPolarHBondContact CD-OH 3.32Å; R206-Y208 HydrophobicContact CG-CE2 4.41Å; R206-Y208 PolarHBondContact NH1-OH 3.18Å; Y208-T210 PolarHBondContact O-N 3.14Å
209P95.6Very high93.3Very high13 Ų1330.2 Ų30.28%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-57.5129.5171.2-28.838.2000113.1W117 P126 L155 C216W117-P209 HydrophobicContact CH2-CG 4.22Å; W117-P209 HydrophobicContact CZ3-CG 4.08Å; P126-P209 HydrophobicContact CG-CB 4.26Å; P126-P209 HydrophobicContact CG-CG 4.36Å; P126-P209 VanDerWaalsContact O-CD 3.29Å; P126-P209 WeakPolarHBondContact O-CD 3.05Å; L155-P209 HydrophobicContact CD1-CB 3.52Å; L155-P209 HydrophobicContact CD1-CG 3.96Å; P209-C216 HydrophobicContact CB-CB 3.95Å; P209-C216 HydrophobicContact CG-CB 4.26Å
210T93.3Very high93.9Very high60 Ų6027.7 Ų27.737%0.36815%0.15SC..EExtended strand (participates in β ladder)trans-114.1-33.8176.756.10000112.7A157 F158 K159 E181 Y208A157-T210 WeakPolarHBondContact CB-OG1 3.14Å; A157-T210 PolarHBondContact O-N 3.07Å; A157-T210 PolarHBondContact O-OG1 3.28Å; A157-T210 VanDerWaalsContact O-OG1 3.07Å; F158-T210 PolarHBondContact N-OG1 2.85Å; K159-T210 HydrophobicContact CD-CG2 3.97Å; K159-T210 HydrophobicContact CG-CG2 3.97Å; E181-T210 WeakPolarHBondContact OE1-CB 3.31Å; E181-T210 PolarHBondContact OE1-OG1 2.96Å; Y208-T210 PolarHBondContact O-N 3.14Å
211S93.8Very high94.1Very high52 Ų5227.3 Ų27.336%0.36415%0.147SC..EExtended strand (participates in β ladder)trans-142.9140.8177-170.10000110.9K156 A157K156-S211 WeakPolarHBondContact CA-O 3.48Å; K156-S211 WeakPolarHBondContact CB-O 3.18Å; K156-S211 PolarHBondContact N-O 3.09Å; A157-S211 PolarHBondContact N-O 3.26Å; A157-S211 PolarHBondContact O-N 3.07Å
212C92.6Very high94.4Very high30 Ų3024.6 Ų24.620%0.20314%0.135CC..EExtended strand (participates in β ladder)trans-142160.2-169-52.80000111.8K156 C216K156-C212 VanDerWaalsContact CE-O 3.3Å; K156-C212 WeakPolarHBondContact CE-O 3.17Å; K156-C212 PolarHBondContact NZ-O 3.01Å; C212-C216 HydrophobicContact CB-CB 3.99Å; C212-C216 WeakPolarHBondContact CB-SG 3.4Å; C212-C216 WeakPolarHBondContact SG-CA 3.34Å; C212-C216 WeakPolarHBondContact SG-CB 3.02Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.29Å
213H90.9Very high94.4Very high65 Ų6525.4 Ų25.430%0.30114%0.139SC..EExtended strand (participates in β ladder)trans-108.6113.8170.6-173.3-81.3000109.4H152 E153 Y154 K156 A215H152-H213 PolarHBondContact O-ND1 2.77Å; E153-H213 WeakPolarHBondContact CA-O 3.42Å; Y154-H213 HydrophobicContact CD1-CB 3.71Å; Y154-H213 HydrophobicContact CD2-CB 3.88Å; Y154-H213 HydrophobicContact CE1-CB 3.39Å; Y154-H213 AromaticContact CE1-CG 3.34Å; Y154-H213 AromaticContact CE1-ND1 3.56Å; Y154-H213 HydrophobicContact CE2-CB 3.6Å; Y154-H213 HydrophobicContact CG-CB 3.94Å; Y154-H213 AromaticContact CZ-CD2 3.83Å; Y154-H213 AromaticContact CZ-CG 3.47Å; Y154-H213 VanDerWaalsContact CZ-CG 3.47Å; Y154-H213 PolarHBondContact N-O 3.28Å; Y154-H213 PolarHBondContact O-N 2.8Å; Y154-H213 PolarHBondContact OH-CD2 2.93Å; K156-H213 HydrophobicContact CG-CB 4.32Å; H213-A215 PolarHBondContact O-N 2.83Å
214T88.8Confident94.2Very high90 Ų9023.5 Ų23.555%0.55213%0.13SC*.SBendtrans63.1-50.1-176.1-55.70000114.9E153E153-T214 HydrophobicContact CG-CG2 3.95Å
215A89.6Confident93.6Very high8 Ų822 Ų227%0.06613%0.125CC..SBendtrans-150.8157.317100000110.6T118 E153 Y154 H213 T217T118-A215 HydrophobicContact CG2-CB 3.93Å; E153-A215 HydrophobicContact CB-CB 4.25Å; E153-A215 HydrophobicContact CG-CB 4.26Å; Y154-A215 PolarHBondContact N-O 2.95Å; H213-A215 PolarHBondContact O-N 2.83Å; A215-T217 PolarHBondContact O-N 3.24Å
216C92.9Very high92.7Very high29 Ų2923 Ų2320%0.19613%0.13CC..  trans-79.659.3179.4-59.20000112.1P119 P209 C212P119-C216 WeakPolarHBondContact CD-O 3.36Å; P119-C216 HydrophobicContact CG-CB 3.8Å; P209-C216 HydrophobicContact CB-CB 3.95Å; P209-C216 HydrophobicContact CG-CB 4.26Å; C212-C216 HydrophobicContact CB-CB 3.99Å; C212-C216 WeakPolarHBondContact CB-SG 3.4Å; C212-C216 WeakPolarHBondContact SG-CA 3.34Å; C212-C216 WeakPolarHBondContact SG-CB 3.02Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.29Å
217T93.4Very high91.7Very high0 Ų023.4 Ų23.40%014%0.135CC..  trans-87.5130.6-175.1-56.20000111.2W101 A116 W117 T118 A146 E153 L155 A215W101-T217 HydrophobicContact CE3-CG2 4.2Å; W101-T217 HydrophobicContact CZ3-CG2 4.09Å; A116-T217 HydrophobicContact CB-CG2 3.53Å; W117-T217 WeakPolarHBondContact O-CA 3.24Å; T118-T217 WeakPolarHBondContact OG1-CB 3.45Å; T118-T217 VanDerWaalsContact OG1-CG2 3.31Å; T118-T217 WeakPolarHBondContact OG1-CG2 3.49Å; T118-T217 PolarHBondContact OG1-OG1 3.24Å; A146-T217 HydrophobicContact CB-CG2 3.64Å; E153-T217 WeakPolarHBondContact CB-OG1 3.37Å; L155-T217 PolarHBondContact N-O 3.28Å; A215-T217 PolarHBondContact O-N 3.24Å
218L94.8Very high90.1Very high0 Ų028.3 Ų28.30%016%0.161CC..BIsolated β-bridgetrans-140131.1-171.1-177.565.5000113W117 I128 T143 L155 L207 F220W117-L218 HydrophobicContact CE3-CB 4.22Å; W117-L218 HydrophobicContact CE3-CD2 4.49Å; W117-L218 PolarHBondContact N-O 3.13Å; W117-L218 PolarHBondContact O-N 3.42Å; I128-L218 HydrophobicContact CG2-CD2 4.11Å; T143-L218 HydrophobicContact CG2-CD1 3.97Å; L155-L218 HydrophobicContact CB-CD1 4.48Å; L155-L218 HydrophobicContact CD2-CD1 3.77Å; L155-L218 HydrophobicContact CD2-CD2 4.19Å; L155-L218 HydrophobicContact CD2-CG 4.43Å; L207-L218 HydrophobicContact CD2-CD2 3.79Å; L218-F220 HydrophobicContact CD1-CB 4.18Å; L218-F220 HydrophobicContact CD2-CB 4.39Å; L218-F220 HydrophobicContact CD2-CD1 3.74Å; L218-F220 HydrophobicContact CD2-CE1 4.29Å; L218-F220 HydrophobicContact CD2-CG 4.24Å; L218-F220 HydrophobicContact CG-CB 4.22Å; L218-F220 HydrophobicContact CG-CD1 3.95Å; L218-F220 HydrophobicContact CG-CG 4.46Å
219R96.1Very high88.4Confident16 Ų1628.9 Ų28.96%0.0618%0.175CC..EExtended strand (participates in β ladder)trans-114.6136.9154.9-68.5178.4-74.8172.24107.4R107 R110 N115 A116 T143 Q144 G145 K188R107-R219 WeakPolarHBondContact O-CB 3.48Å; R107-R219 WeakPolarHBondContact O-CG 3.07Å; R110-R219 PolarHBondContact O-NH1 3.38Å; N115-R219 PolarHBondContact ND2-NH1 2.76Å; N115-R219 WeakPolarHBondContact O-CD 3.09Å; N115-R219 VanDerWaalsContact O-CG 3.3Å; N115-R219 WeakPolarHBondContact O-CG 2.96Å; A116-R219 HydrophobicContact CB-CG 3.67Å; T143-R219 CarbonylContact C-O 3.6Å; Q144-R219 HydrophobicContact CB-CB 4.19Å; Q144-R219 VanDerWaalsContact CD-CZ 3.49Å; Q144-R219 VanDerWaalsContact CD-NH2 3.34Å; Q144-R219 PolarHBondContact N-O 3.08Å; Q144-R219 PolarHBondContact O-N 3.2Å; G145-R219 PolarHBondContact O-NE 2.97Å; G145-R219 PolarHBondContact O-NH2 2.94Å; K188-R219 PolarHBondContact O-NH2 3.18Å; K188-R219 VanDerWaalsContact O-NH2 3.11Å
220F96.3Very high87.4Confident0 Ų029 Ų290%018%0.175CC..EExtended strand (participates in β ladder)trans-147.5166.2-179.273.1-75.8000113.6M76 A106 L108 I128 V130 V141 V142 L207 L218 L222M76-F220 VanDerWaalsContact CB-O 3.22Å; M76-F220 WeakPolarHBondContact CB-O 3.32Å; M76-F220 HydrophobicContact CE-CD1 4.14Å; M76-F220 HydrophobicContact CE-CD2 4.49Å; M76-F220 HydrophobicContact CE-CE1 3.6Å; M76-F220 HydrophobicContact CE-CE2 4Å; M76-F220 HydrophobicContact CE-CZ 3.54Å; M76-F220 HydrophobicContact CG-CE2 4.46Å; M76-F220 HydrophobicContact SD-CE2 4.47Å; M76-F220 HydrophobicContact SD-CZ 4.41Å; A106-F220 HydrophobicContact CB-CD1 3.91Å; A106-F220 HydrophobicContact CB-CE1 3.74Å; A106-F220 WeakPolarHBondContact O-CD1 3.45Å; A106-F220 PolarHBondContact O-N 2.87Å; L108-F220 PolarHBondContact N-O 2.91Å; L108-F220 VanDerWaalsContact N-O 3.12Å; I128-F220 HydrophobicContact CD1-CE1 3.86Å; I128-F220 HydrophobicContact CG1-CE1 4.22Å; I128-F220 HydrophobicContact CG1-CZ 4.45Å; I128-F220 HydrophobicContact CG2-CE1 4.04Å; I128-F220 HydrophobicContact CG2-CZ 4.3Å; V130-F220 HydrophobicContact CG2-CE2 3.8Å; V130-F220 HydrophobicContact CG2-CZ 3.55Å; V141-F220 HydrophobicContact CG1-CB 4.43Å; V141-F220 HydrophobicContact CG1-CD2 4.37Å; V142-F220 CarbonylContact O-C 3.5Å; V142-F220 WeakPolarHBondContact O-CA 3.38Å; V142-F220 WeakPolarHBondContact O-CB 3.39Å; L207-F220 HydrophobicContact CD1-CE2 4.29Å; L207-F220 HydrophobicContact CD2-CD1 4.43Å; L207-F220 HydrophobicContact CD2-CD2 3.83Å; L207-F220 HydrophobicContact CD2-CE2 4.03Å; L207-F220 HydrophobicContact CD2-CG 4.03Å; L207-F220 HydrophobicContact CD2-CZ 4.42Å; L218-F220 HydrophobicContact CD1-CB 4.18Å; L218-F220 HydrophobicContact CD2-CB 4.39Å; L218-F220 HydrophobicContact CD2-CD1 3.74Å; L218-F220 HydrophobicContact CD2-CE1 4.29Å; L218-F220 HydrophobicContact CD2-CG 4.24Å; L218-F220 HydrophobicContact CG-CB 4.22Å; L218-F220 HydrophobicContact CG-CD1 3.95Å; L218-F220 HydrophobicContact CG-CG 4.46Å; F220-L222 HydrophobicContact CD2-CD2 4.04Å; F220-L222 HydrophobicContact CD2-CG 4.23Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.9Å; F220-L222 HydrophobicContact CE2-CG 3.94Å
221E96.4Very high86.7Confident3 Ų328.1 Ų28.11%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-132.9145.7166.5179.460.7-85.400108.2P73 G75 M76 E77 L108 V142 L223P73-E221 HydrophobicContact CB-CG 3.69Å; G75-E221 PolarHBondContact N-OE1 3.15Å; M76-E221 HydrophobicContact CB-CB 4.47Å; M76-E221 WeakPolarHBondContact CB-OE1 3.3Å; M76-E221 WeakPolarHBondContact CG-OE1 3.41Å; M76-E221 VanDerWaalsContact N-CD 3.26Å; M76-E221 PolarHBondContact N-OE1 3.02Å; M76-E221 PolarHBondContact N-OE2 3.43Å; E77-E221 PolarHBondContact N-OE2 3.04Å; L108-E221 HydrophobicContact CB-CB 4.06Å; L108-E221 HydrophobicContact CD2-CB 3.99Å; V142-E221 HydrophobicContact CB-CB 4.24Å; V142-E221 PolarHBondContact N-O 3.05Å; V142-E221 PolarHBondContact O-N 3.4Å; E221-L223 HydrophobicContact CG-CD2 4.5Å
222L96.3Very high86.2Confident0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-96.8135.8173.5-64.7177.2000108.5L74 V130 L132 V141 V205 L207 F220L74-L222 HydrophobicContact CB-CB 4.22Å; L74-L222 HydrophobicContact CD1-CB 3.91Å; L74-L222 HydrophobicContact CG-CB 4.24Å; L74-L222 WeakPolarHBondContact CG-O 3.32Å; L74-L222 PolarHBondContact N-O 3.02Å; V130-L222 HydrophobicContact CB-CD1 3.92Å; V130-L222 HydrophobicContact CG1-CD1 4.06Å; V130-L222 HydrophobicContact CG2-CD1 4.03Å; L132-L222 HydrophobicContact CD2-CD1 4.15Å; V141-L222 HydrophobicContact CG2-CD2 3.94Å; V205-L222 HydrophobicContact CB-CD1 4.14Å; V205-L222 HydrophobicContact CG1-CD1 4.44Å; V205-L222 HydrophobicContact CG1-CD2 4.13Å; V205-L222 HydrophobicContact CG2-CD1 4.22Å; L207-L222 HydrophobicContact CD1-CD2 4.36Å; F220-L222 HydrophobicContact CD2-CD2 4.04Å; F220-L222 HydrophobicContact CD2-CG 4.23Å; F220-L222 HydrophobicContact CE2-CD1 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.9Å; F220-L222 HydrophobicContact CE2-CG 3.94Å
223L92.9Very high86.1Confident18 Ų1829.4 Ų29.49%0.09417%0.171CC..EExtended strand (participates in β ladder)trans-103143.4174.8-55.6-175.8000109.9E72 T139 G140 V142 V193 L195 E221E72-L223 WeakPolarHBondContact O-CA 3.49Å; T139-L223 PolarHBondContact N-O 2.7Å; T139-L223 PolarHBondContact OG1-O 2.84Å; G140-L223 PolarHBondContact N-O 3.25Å; G140-L223 PolarHBondContact O-N 3.42Å; V142-L223 HydrophobicContact CG2-CD1 3.68Å; V142-L223 HydrophobicContact CG2-CD2 3.75Å; V142-L223 HydrophobicContact CG2-CG 3.71Å; V193-L223 HydrophobicContact CG1-CD1 4.05Å; L195-L223 HydrophobicContact CD2-CD1 3.95Å; E221-L223 HydrophobicContact CG-CD2 4.5Å
224G90.3Very high86.2Confident0 Ų027.7 Ų27.70%016%0.164CC..EExtended strand (participates in β ladder)trans170.5-155.2177.900000113.8C70 E72 W137 T139C70-G224 CarbonylContact C-O 3.52Å; E72-G224 PolarHBondContact N-O 3.15Å; E72-G224 PolarHBondContact O-N 3.06Å; W137-G224 CarbonylContact O-C 3.51Å; W137-G224 WeakPolarHBondContact O-CA 2.97Å; T139-G224 WeakPolarHBondContact OG1-CA 3.48Å
225C83.6Confident86.4Confident11 Ų1123.4 Ų23.47%0.07414%0.138CC..EExtended strand (participates in β ladder)trans-155.1170.9171.2610000110.3A62 C70 W137A62-C225 WeakPolarHBondContact CB-SG 3.04Å; C70-C225 HydrophobicContact CB-CB 3.85Å; C70-C225 WeakPolarHBondContact CB-SG 3.43Å; C70-C225 WeakPolarHBondContact SG-CB 3.07Å; C70-C225 PolarHBondContact SG-N 3.23Å; C70-C225 CovalentContact SG-SG 2.04Å; C70-C225 PolarHBondContact SG-SG 2.96Å; W137-C225 PolarHBondContact N-O 3.27Å; W137-C225 PolarHBondContact O-N 3.2Å; W137-C225 VanDerWaalsContact O-O 3.08Å
226E78.1Confident86.7Confident23 Ų2323.1 Ų23.111%0.10714%0.135CC..EExtended strand (participates in β ladder)trans-65.6141.1170.1-128115.6-155.500109.4R134 M136 F231 K355R134-E226 VanDerWaalsContact CD-OE1 3.29Å; R134-E226 WeakPolarHBondContact CD-OE1 3.08Å; R134-E226 IonicContact CZ-OE1 3Å; R134-E226 IonicContact NE-OE1 3.55Å; R134-E226 PolarHBondContact NE-OE1 3.45Å; M136-E226 HydrophobicContact CE-CB 4.21Å; M136-E226 HydrophobicContact CE-CG 4.06Å; M136-E226 HydrophobicContact SD-CB 4.35Å; M136-E226 HydrophobicContact SD-CG 3.74Å; E226-F231 HydrophobicContact CB-CD2 4.44Å; E226-F231 VanDerWaalsContact CD-CG 3.46Å; E226-F231 HydrophobicContact CG-CB 4.03Å; E226-F231 HydrophobicContact CG-CD1 4.32Å; E226-F231 HydrophobicContact CG-CD2 3.51Å; E226-F231 HydrophobicContact CG-CE2 4.01Å; E226-F231 HydrophobicContact CG-CG 3.69Å; E226-K355 IonicContact OE1-NZ 3.77Å; E226-K355 IonicContact OE2-NZ 3.8Å; E226-K355 PolarHBondContact OE2-NZ 3.42Å
227L76.8Confident86.7Confident49 Ų4926.7 Ų26.726%0.25715%0.147SC..  trans-63.3140.3166.5-171.377.2000107.7R135 W137 E201 G229R135-L227 HydrophobicContact CB-CD2 4.29Å; W137-L227 HydrophobicContact CD2-CD1 4.05Å; W137-L227 VanDerWaalsContact CE2-CD1 3.47Å; W137-L227 HydrophobicContact CG-CD1 4.33Å; W137-L227 HydrophobicContact CZ2-CD1 3.77Å; E201-L227 HydrophobicContact CG-CD1 4.25Å; E201-L227 HydrophobicContact CG-CD2 4.28Å; L227-G229 WeakPolarHBondContact O-CA 3.47Å; L227-G229 PolarHBondContact O-N 2.85Å
228D62.5Low86.5Confident104 Ų10431 Ų3156%0.55617%0.17SC*.SBendtrans-45.2111.6-174.5-97.9-23.5000111.2G63G63-D228 VanDerWaalsContact CA-OD1 3.3Å; G63-D228 WeakPolarHBondContact CA-OD1 3.45Å; G63-D228 PolarHBondContact N-OD1 3.3Å
229G61.4Low86.4Confident36 Ų3635 Ų3537%0.37119%0.192SC..SBendtrans-172.7169.2-157.700000110.4L227 F231L227-G229 WeakPolarHBondContact O-CA 3.47Å; L227-G229 PolarHBondContact O-N 2.85Å; G229-F231 PolarHBondContact O-N 3.21Å
230C74.8Confident86.3Confident14 Ų1438.3 Ų38.310%0.09522%0.217CC..SBendtrans-75.252.9-164.6-162.30000113.7E298 T300 G386 C387C230-E298 WeakPolarHBondContact SG-CB 3.49Å; C230-E298 VanDerWaalsContact SG-CG 3.58Å; C230-E298 PolarHBondContact SG-O 2.87Å; C230-T300 HydrophobicContact CB-CG2 3.83Å; C230-T300 WeakPolarHBondContact O-CB 3.15Å; C230-T300 WeakPolarHBondContact O-CG2 3.1Å; C230-T300 PolarHBondContact O-OG1 2.91Å; C230-G386 CarbonylContact C-O 3.5Å; C230-G386 CarbonylContact O-C 3.56Å; C230-G386 WeakPolarHBondContact O-CA 3.46Å; C230-G386 PolarHBondContact O-N 2.77Å; C230-G386 VanDerWaalsContact SG-C 3.54Å; C230-C387 HydrophobicContact CB-CB 3.97Å; C230-C387 WeakPolarHBondContact CB-SG 3.11Å; C230-C387 VanDerWaalsContact SG-CA 3.57Å; C230-C387 WeakPolarHBondContact SG-CB 3.41Å; C230-C387 PolarHBondContact SG-N 2.97Å; C230-C387 CovalentContact SG-SG 2.04Å; C230-C387 PolarHBondContact SG-SG 2.82Å
231F77.8Confident86.2Confident42 Ų4238.7 Ų38.718%0.18422%0.219CC..  trans-12811-169.5-59.4-87.5000113.6E226 G229 T300 L357E226-F231 HydrophobicContact CB-CD2 4.44Å; E226-F231 VanDerWaalsContact CD-CG 3.46Å; E226-F231 HydrophobicContact CG-CB 4.03Å; E226-F231 HydrophobicContact CG-CD1 4.32Å; E226-F231 HydrophobicContact CG-CD2 3.51Å; E226-F231 HydrophobicContact CG-CE2 4.01Å; E226-F231 HydrophobicContact CG-CG 3.69Å; G229-F231 PolarHBondContact O-N 3.21Å; F231-T300 HydrophobicContact CD1-CG2 4.25Å; F231-T300 WeakPolarHBondContact CD1-OG1 3.38Å; F231-T300 VanDerWaalsContact CE1-CB 3.4Å; F231-T300 HydrophobicContact CE1-CG2 3.94Å; F231-T300 WeakPolarHBondContact CE1-OG1 3.28Å; F231-T300 HydrophobicContact CZ-CG2 4.15Å; F231-L357 HydrophobicContact CD1-CD2 3.76Å; F231-L357 HydrophobicContact CE1-CD2 4.02Å
232N84.4Confident86.2Confident40 Ų4041.3 Ų41.321%0.21424%0.236CC..EExtended strand (participates in β ladder)trans-71.6151.1179.2-69.5-26.1000110.8L234 L385 G386N232-L234 PolarHBondContact O-N 2.67Å; N232-L385 WeakPolarHBondContact O-CA 3.21Å; N232-G386 PolarHBondContact N-O 2.93Å; N232-G386 PolarHBondContact O-N 2.88Å
233P90.5Very high86.2Confident69 Ų6945.1 Ų45.145%0.44826%0.257SS..EExtended strand (participates in β ladder)trans-63.2118.817626.4-34.3000110.6G235 E383P233-G235 PolarHBondContact O-N 2.94Å; P233-E383 HydrophobicContact CB-CG 3.65Å
234L92.8Very high86.4Confident30 Ų3052.9 Ų52.916%0.15729%0.29CS..  trans-69.1-15.7-176.9-70.7-178.8000113.6N232 I241 L293 K297 V299 L384 G386N232-L234 PolarHBondContact O-N 2.67Å; L234-I241 HydrophobicContact CB-CD1 4.37Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å; L234-L293 HydrophobicContact CB-CD2 4.34Å; L234-L293 HydrophobicContact CD1-CD1 3.99Å; L234-L293 HydrophobicContact CD1-CD2 3.91Å; L234-K297 HydrophobicContact CD2-CD 4.46Å; L234-V299 HydrophobicContact CD1-CG1 4.34Å; L234-V299 HydrophobicContact CD1-CG2 4.07Å; L234-L384 HydrophobicContact CB-CB 4.27Å; L234-L384 HydrophobicContact CD1-CB 3.92Å; L234-L384 HydrophobicContact CG-CB 4.42Å; L234-L384 PolarHBondContact N-O 3.28Å; L234-G386 VanDerWaalsContact CD2-C 3.49Å
235G92.9Very high86.8Confident0 Ų054.5 Ų54.50%030%0.297CS..SBendtrans126.427.4158.100000116P233 N238 N239 S240 I241 E383P233-G235 PolarHBondContact O-N 2.94Å; G235-N238 VanDerWaalsContact C-OD1 3.24Å; G235-N238 WeakPolarHBondContact CA-OD1 3.31Å; G235-N238 PolarHBondContact O-OD1 3.3Å; G235-N238 VanDerWaalsContact O-OD1 3.05Å; G235-N239 PolarHBondContact O-N 3.44Å; G235-S240 PolarHBondContact O-N 2.04Å; G235-I241 PolarHBondContact O-N 3.42Å; G235-E383 PolarHBondContact N-OE1 2.69Å
236L94.9Very high87.4Confident1 Ų154.2 Ų54.21%0.00530%0.295CS..THydrogen-bonded Turntrans-72.5-44.6172.6-67.9169000110.9I241 I246 R268 V291 L382 E383 L384L236-I241 HydrophobicContact CD2-CB 4.3Å; L236-I241 HydrophobicContact CD2-CD1 4.16Å; L236-I241 HydrophobicContact CD2-CG2 4.06Å; L236-I241 HydrophobicContact CG-CD1 4.09Å; L236-I246 HydrophobicContact CD2-CD1 3.54Å; L236-I246 HydrophobicContact CD2-CG1 3.98Å; L236-R268 HydrophobicContact CB-CG 4.49Å; L236-R268 WeakPolarHBondContact O-CB 3.35Å; L236-R268 WeakPolarHBondContact O-CD 3.45Å; L236-R268 WeakPolarHBondContact O-CG 3.47Å; L236-R268 PolarHBondContact O-NH1 2.91Å; L236-V291 HydrophobicContact CD1-CG2 4.18Å; L236-V291 HydrophobicContact CD2-CG1 4.04Å; L236-V291 HydrophobicContact CD2-CG2 4.27Å; L236-L382 HydrophobicContact CD1-CD1 3.4Å; L236-L382 HydrophobicContact CD1-CG 3.79Å; L236-E383 WeakPolarHBondContact CB-OE1 3.36Å; L236-E383 PolarHBondContact N-OE1 2.6Å; L236-E383 PolarHBondContact N-OE2 3.2Å; L236-L384 HydrophobicContact CD1-CG 4.18Å
237K93.7Very high88.4Confident105 Ų10555.8 Ų55.846%0.45731%0.306SS..THydrogen-bonded Turntrans-70.3-43.5-177.6-179165.8172.4172.60113.2N239 L269 D270 E383K237-N239 VanDerWaalsContact C-N 3.31Å; K237-L269 HydrophobicContact CB-CB 4.33Å; K237-L269 HydrophobicContact CD-CB 4.3Å; K237-L269 HydrophobicContact CD-CD2 4.3Å; K237-L269 HydrophobicContact CD-CG 4.46Å; K237-L269 WeakPolarHBondContact CG-O 3.27Å; K237-D270 WeakPolarHBondContact CE-OD2 3.43Å; K237-D270 IonicContact NZ-OD2 2.81Å; K237-D270 PolarHBondContact NZ-OD2 3.19Å; K237-E383 WeakPolarHBondContact CB-OE2 3.39Å; K237-E383 PolarHBondContact N-OE2 2.61Å
238N89.7Confident89.4Confident91 Ų9154.5 Ų54.549%0.48730%0.303SS..THydrogen-bonded Turntrans-81.3-8.1-179.267.44.7000113.7G235 S240G235-N238 VanDerWaalsContact C-OD1 3.24Å; G235-N238 WeakPolarHBondContact CA-OD1 3.31Å; G235-N238 PolarHBondContact O-OD1 3.3Å; G235-N238 VanDerWaalsContact O-OD1 3.05Å; N238-S240 VanDerWaalsContact C-N 3.35Å; N238-S240 PolarHBondContact ND2-OG 2.61Å; N238-S240 WeakPolarHBondContact OD1-CB 3.21Å; N238-S240 PolarHBondContact OD1-N 3.06Å; N238-S240 PolarHBondContact OD1-OG 2.93Å
239N92.5Very high91Very high84 Ų8451.6 Ų51.645%0.44929%0.29SS..SBendtrans70.917-176.3-39.1-93.3000115.4G235 K237 I241 R268G235-N239 PolarHBondContact O-N 3.44Å; K237-N239 VanDerWaalsContact C-N 3.31Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.27Å; N239-R268 WeakPolarHBondContact OD1-CD 3.24Å; N239-R268 PolarHBondContact OD1-NE 3.01Å
240S92.9Very high92.6Very high85 Ų8551.5 Ų51.559%0.59428%0.284SS*.  trans-61.7-34.3170-64.60000112.1G235 N238 P242G235-S240 PolarHBondContact O-N 2.04Å; N238-S240 VanDerWaalsContact C-N 3.35Å; N238-S240 PolarHBondContact ND2-OG 2.61Å; N238-S240 WeakPolarHBondContact OD1-CB 3.21Å; N238-S240 PolarHBondContact OD1-N 3.06Å; N238-S240 PolarHBondContact OD1-OG 2.93Å; S240-P242 VanDerWaalsContact O-CD 3.29Å; S240-P242 WeakPolarHBondContact O-CD 3.44Å
241I95.8Very high93.5Very high8 Ų852.8 Ų52.84%0.04129%0.293CS..SBendtrans-80.8112.3166.1-66.6171.2000107.8L234 G235 L236 N239 Q245 I246 R268 V291 L293L234-I241 HydrophobicContact CB-CD1 4.37Å; L234-I241 WeakPolarHBondContact O-CD1 3.3Å; G235-I241 PolarHBondContact O-N 3.42Å; L236-I241 HydrophobicContact CD2-CB 4.3Å; L236-I241 HydrophobicContact CD2-CD1 4.16Å; L236-I241 HydrophobicContact CD2-CG2 4.06Å; L236-I241 HydrophobicContact CG-CD1 4.09Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 3.27Å; I241-Q245 HydrophobicContact CG2-CB 3.83Å; I241-I246 HydrophobicContact CG2-CG1 4.14Å; I241-R268 VanDerWaalsContact O-CZ 3.29Å; I241-R268 PolarHBondContact O-NH1 3.48Å; I241-R268 PolarHBondContact O-NH2 2.92Å; I241-V291 HydrophobicContact CD1-CG1 4.06Å; I241-V291 HydrophobicContact CG2-CG1 4.19Å; I241-L293 HydrophobicContact CD1-CD2 3.91Å
242P96.5Very high94.2Very high57 Ų5753.3 Ų53.337%0.3730%0.295SS..  trans-75156-176.6-17.334.6000112.6S240 K244 Q245S240-P242 VanDerWaalsContact O-CD 3.29Å; S240-P242 WeakPolarHBondContact O-CD 3.44Å; P242-K244 HydrophobicContact CB-CG 4.42Å; P242-K244 PolarHBondContact O-N 2.93Å; P242-Q245 WeakPolarHBondContact O-CB 3.46Å; P242-Q245 PolarHBondContact O-N 3.04Å
243D96.5Very high94.5Very high81 Ų8154.9 Ų54.943%0.43330%0.299SS..G310 helixtrans-50-36.1-174.7-76.612.7000114.6Q245 I246 S265 R268D243-Q245 PolarHBondContact O-N 3.31Å; D243-I246 PolarHBondContact O-N 2.97Å; D243-I246 VanDerWaalsContact O-N 3.1Å; D243-S265 WeakPolarHBondContact OD2-CB 3.37Å; D243-R268 IonicContact OD1-CZ 3.96Å; D243-R268 IonicContact OD1-NE 2.94Å; D243-R268 IonicContact OD1-NH2 3.14Å; D243-R268 PolarHBondContact OD1-NH2 3.37Å
244K96.7Very high94.1Very high181 Ų18151.8 Ų51.879%0.78728%0.279SS*.G310 helixtrans-62-20178.468.4178.6-178.3177.50114.6P242P242-K244 HydrophobicContact CB-CG 4.42Å; P242-K244 PolarHBondContact O-N 2.93Å
245Q97.4Very high93.7Very high33 Ų3359.1 Ų59.115%0.15431%0.305CS..G310 helixtrans-87.9-6.3178.5-73.5-171.5-53.900113I241 P242 D243 D292I241-Q245 HydrophobicContact CG2-CB 3.83Å; P242-Q245 WeakPolarHBondContact O-CB 3.46Å; P242-Q245 PolarHBondContact O-N 3.04Å; D243-Q245 PolarHBondContact O-N 3.31Å; Q245-D292 HydrophobicContact CB-CB 4.04Å; Q245-D292 WeakPolarHBondContact CB-O 3.4Å; Q245-D292 HydrophobicContact CG-CB 4.13Å; Q245-D292 PolarHBondContact NE2-O 2.93Å; Q245-D292 PolarHBondContact O-N 2.86Å; Q245-D292 PolarHBondContact OE1-O 2.84Å
246I97.9Very high93.1Very high6 Ų661.6 Ų61.63%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-109.4112-178.6-42.8172.5000108.3L236 I241 D243 P264 R268 L289 Q290L236-I246 HydrophobicContact CD2-CD1 3.54Å; L236-I246 HydrophobicContact CD2-CG1 3.98Å; I241-I246 HydrophobicContact CG2-CG1 4.14Å; D243-I246 PolarHBondContact O-N 2.97Å; D243-I246 VanDerWaalsContact O-N 3.1Å; I246-P264 HydrophobicContact CG2-CB 4.19Å; I246-P264 WeakPolarHBondContact CG2-O 3.22Å; I246-P264 WeakPolarHBondContact O-CG 3.42Å; I246-R268 HydrophobicContact CD1-CG 4.41Å; I246-L289 HydrophobicContact CG2-CD1 4.04Å; I246-Q290 WeakPolarHBondContact CA-O 3.35Å
247T97.6Very high92.6Very high55 Ų5565.7 Ų65.734%0.33735%0.352SS..EExtended strand (participates in β ladder)trans-129.8159.5-173.756.10000110.5Q290T247-Q290 PolarHBondContact N-O 2.78Å; T247-Q290 PolarHBondContact O-N 2.68Å
248A97.4Very high91.8Very high23 Ų2367.4 Ų67.419%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-146.6162.3179.900000111.9S250 P264 W278 W288 L289A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.14Å; A248-P264 HydrophobicContact CB-CB 3.91Å; A248-P264 HydrophobicContact CB-CG 4.38Å; A248-W278 HydrophobicContact CB-CZ2 3.91Å; A248-W278 VanDerWaalsContact CB-NE1 3.29Å; A248-W288 VanDerWaalsContact C-CZ3 3.49Å; A248-W288 CarbonylContact C-O 3.56Å; A248-W288 VanDerWaalsContact CA-CZ3 3.49Å; A248-W288 VanDerWaalsContact CA-O 3.28Å; A248-W288 WeakPolarHBondContact CA-O 3.01Å; A248-W288 WeakPolarHBondContact CB-O 3.39Å; A248-L289 HydrophobicContact CB-CD1 4.01Å
249S96.5Very high91.3Very high42 Ų4270.5 Ų70.529%0.29438%0.377SS..SBendtrans-54.2-42.2170.6530000113Q287 W288S249-Q287 WeakPolarHBondContact OG-CA 3.35Å; S249-Q287 PolarHBondContact OG-OE1 3.36Å; S249-W288 PolarHBondContact N-O 3.41Å; S249-W288 PolarHBondContact OG-N 2.87Å; S249-W288 PolarHBondContact OG-O 2.82Å
250S95.4Very high90.9Very high35 Ų3569.6 Ų69.625%0.24537%0.369CS..  trans-158.9170.9178.773.20000111.1A248 W278 G281 Q287A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.14Å; S250-W278 PolarHBondContact O-NE1 2.94Å; S250-G281 WeakPolarHBondContact OG-CA 3.12Å; S250-G281 PolarHBondContact OG-N 2.85Å; S250-Q287 PolarHBondContact OG-OE1 2.85Å
251S94.1Very high90.7Very high40 Ų4065.9 Ų65.928%0.2834%0.343SS..  trans-139.7143.3170.260.60000111.8V279S251-V279 CarbonylContact C-O 3.52Å; S251-V279 WeakPolarHBondContact CA-O 3.33Å
252Y92.3Very high90.6Very high54 Ų5465.5 Ų65.521%0.21234%0.341CS..  trans-82.5141177.8178.8-112.7000111.7W262 V279Y252-W262 AromaticContact CD1-CD1 3.62Å; Y252-W262 HydrophobicContact CD1-CG 4.46Å; Y252-W262 AromaticContact CD1-NE1 3.99Å; Y252-W262 PolarHBondContact O-N 3.12Å; Y252-V279 HydrophobicContact CD1-CG1 4.37Å; Y252-V279 HydrophobicContact CG-CG1 4.34Å; Y252-V279 PolarHBondContact N-O 3.33Å
253K89.8Confident90.5Very high72 Ų7265.2 Ų65.231%0.31334%0.337SS..BIsolated β-bridgetrans-117121.8174.5-57.7-177.6-173.31660110W255 G256 H258K253-W255 PolarHBondContact O-N 2.8Å; K253-G256 PolarHBondContact O-N 2.87Å; K253-H258 PolarHBondContact NZ-CE1 2.96Å; K253-H258 PolarHBondContact NZ-NE2 2.93Å
254T84Confident90.5Very high5 Ų562.5 Ų62.53%0.03132%0.323CS..G310 helixtrans-70126.2177.7-41.30000109.4G256 L257 F260 W262 F275 F310T254-G256 PolarHBondContact O-N 3.01Å; T254-L257 PolarHBondContact O-N 3.3Å; T254-F260 PolarHBondContact N-O 3.02Å; T254-F260 PolarHBondContact OG1-O 2.83Å; T254-W262 PolarHBondContact OG1-NE1 2.97Å; T254-F275 WeakPolarHBondContact OG1-CE1 3.38Å; T254-F310 HydrophobicContact CG2-CE2 4.17Å
255W83Confident90.4Very high184 Ų18454.7 Ų54.770%0.69729%0.291SS*.G310 helixtrans5323.1-172.3-49.6-50.4000114.6K253 L257 F260 F310K253-W255 PolarHBondContact O-N 2.8Å; W255-L257 HydrophobicContact CB-CD1 4.48Å; W255-L257 HydrophobicContact CB-CG 4.5Å; W255-L257 PolarHBondContact O-N 2.88Å; W255-F260 AromaticContact CE3-CD2 3.83Å; W255-F260 HydrophobicContact CE3-CD2 3.83Å; W255-F260 AromaticContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CZ3-CD2 4.14Å; W255-F260 AromaticContact CZ3-CE2 3.91Å; W255-F260 HydrophobicContact CZ3-CE2 3.91Å; W255-F310 HydrophobicContact CH2-CE2 4.32Å; W255-F310 AromaticContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CZ2-CE2 4.39Å; W255-F310 HydrophobicContact CZ2-CZ 4.42Å
256G81.1Confident90.4Very high52 Ų5256.7 Ų56.754%0.53630%0.298SS..G310 helixtrans72.4-2.2-175.700000115.2K253 T254K253-G256 PolarHBondContact O-N 2.87Å; T254-G256 PolarHBondContact O-N 3.01Å
257L83.1Confident90.3Very high87 Ų8756.5 Ų56.546%0.45530%0.297SS..  trans-80.8128.6-174.3-65.3174.4000111.5T254 W255 L259 F260T254-L257 PolarHBondContact O-N 3.3Å; W255-L257 HydrophobicContact CB-CD1 4.48Å; W255-L257 HydrophobicContact CB-CG 4.5Å; W255-L257 PolarHBondContact O-N 2.88Å; L257-L259 PolarHBondContact O-N 3.4Å; L257-F260 HydrophobicContact CB-CD2 3.84Å; L257-F260 HydrophobicContact CB-CE2 4.46Å; L257-F260 HydrophobicContact CB-CG 4.45Å; L257-F260 HydrophobicContact CD1-CD2 3.71Å; L257-F260 HydrophobicContact CD1-CE2 3.61Å; L257-F260 HydrophobicContact CG-CD2 4.39Å; L257-F260 PolarHBondContact O-N 2.93Å
258H77.8Confident90.3Very high141 Ų14154 Ų5465%0.65328%0.282SS*.G310 helixtrans-60.2-32.8179.2-82.4-115.7000113.1K253 F260 S261K253-H258 PolarHBondContact NZ-CE1 2.96Å; K253-H258 PolarHBondContact NZ-NE2 2.93Å; H258-F260 PolarHBondContact O-N 2.87Å; H258-S261 WeakPolarHBondContact CA-OG 3.35Å; H258-S261 WeakPolarHBondContact O-CB 3.32Å; H258-S261 PolarHBondContact O-N 2.64Å; H258-S261 PolarHBondContact O-OG 2.61Å
259L78.5Confident90.3Very high156 Ų15653.2 Ų53.282%0.81727%0.274SS*.G310 helixtrans-64.3-17.6176.1-65.5171.5000113.5L257L257-L259 PolarHBondContact O-N 3.4Å
260F85.3Confident90.2Very high64 Ų6453 Ų5328%0.28127%0.27SS..G310 helixtrans-119.338.4-176.2-54.5-35.7000111.7T254 W255 L257 H258 F275T254-F260 PolarHBondContact N-O 3.02Å; T254-F260 PolarHBondContact OG1-O 2.83Å; W255-F260 AromaticContact CE3-CD2 3.83Å; W255-F260 HydrophobicContact CE3-CD2 3.83Å; W255-F260 AromaticContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CE3-CE2 3.9Å; W255-F260 HydrophobicContact CZ3-CD2 4.14Å; W255-F260 AromaticContact CZ3-CE2 3.91Å; W255-F260 HydrophobicContact CZ3-CE2 3.91Å; L257-F260 HydrophobicContact CB-CD2 3.84Å; L257-F260 HydrophobicContact CB-CE2 4.46Å; L257-F260 HydrophobicContact CB-CG 4.45Å; L257-F260 HydrophobicContact CD1-CD2 3.71Å; L257-F260 HydrophobicContact CD1-CE2 3.61Å; L257-F260 HydrophobicContact CG-CD2 4.39Å; L257-F260 PolarHBondContact O-N 2.93Å; H258-F260 PolarHBondContact O-N 2.87Å; F260-F275 HydrophobicContact CB-CE1 3.73Å; F260-F275 HydrophobicContact CB-CE2 4.07Å; F260-F275 HydrophobicContact CB-CZ 3.46Å; F260-F275 VanDerWaalsContact CB-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CD2 4.42Å; F260-F275 AromaticContact CD1-CE2 3.39Å; F260-F275 HydrophobicContact CD1-CE2 3.39Å; F260-F275 AromaticContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CZ 3.46Å; F260-F275 VanDerWaalsContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CE1-CE2 4.19Å; F260-F275 HydrophobicContact CE1-CZ 4.41Å; F260-F275 HydrophobicContact CG-CE1 4.43Å; F260-F275 HydrophobicContact CG-CE2 4.06Å; F260-F275 AromaticContact CG-CZ 3.66Å; F260-F275 HydrophobicContact CG-CZ 3.66Å
261S88.5Confident90.1Very high7 Ų754.5 Ų54.55%0.04927%0.272CS..BIsolated β-bridgetrans-87.3134.1-178.7-55.60000112.4H258 N263 Y266H258-S261 WeakPolarHBondContact CA-OG 3.35Å; H258-S261 WeakPolarHBondContact O-CB 3.32Å; H258-S261 PolarHBondContact O-N 2.64Å; H258-S261 PolarHBondContact O-OG 2.61Å; S261-N263 VanDerWaalsContact C-N 3.3Å; S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.15Å; S261-Y266 WeakPolarHBondContact O-CE2 3.16Å
262W92.9Very high90Very high0 Ų059.1 Ų59.10%029%0.289CS..  trans-89.567174.9-64.379000110Y252 T254 N274 F275 A277 V279 A307 N309Y252-W262 AromaticContact CD1-CD1 3.62Å; Y252-W262 HydrophobicContact CD1-CG 4.46Å; Y252-W262 AromaticContact CD1-NE1 3.99Å; Y252-W262 PolarHBondContact O-N 3.12Å; T254-W262 PolarHBondContact OG1-NE1 2.97Å; W262-N274 WeakPolarHBondContact CH2-O 3.35Å; W262-F275 HydrophobicContact CD2-CD1 4.2Å; W262-F275 AromaticContact CE2-CD1 3.57Å; W262-F275 AromaticContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CE1 4.17Å; W262-F275 AromaticContact NE1-CD1 3.55Å; W262-F275 AromaticContact NE1-CE1 3.84Å; W262-A277 HydrophobicContact CE3-CB 4.06Å; W262-A277 HydrophobicContact CZ3-CB 4.08Å; W262-V279 HydrophobicContact CB-CB 3.57Å; W262-V279 HydrophobicContact CB-CG2 3.77Å; W262-V279 HydrophobicContact CD2-CB 4.25Å; W262-V279 HydrophobicContact CD2-CG2 3.53Å; W262-V279 HydrophobicContact CE3-CG2 3.45Å; W262-V279 VanDerWaalsContact CE3-CG2 3.45Å; W262-V279 HydrophobicContact CG-CB 3.85Å; W262-V279 HydrophobicContact CG-CG2 3.69Å; W262-V279 HydrophobicContact CZ3-CG2 4.28Å; W262-V279 PolarHBondContact O-N 2.93Å; W262-A307 HydrophobicContact CZ3-CB 4.35Å; W262-N309 HydrophobicContact CH2-CB 3.97Å; W262-N309 HydrophobicContact CZ2-CB 3.7Å
263N94.6Very high89.7Confident52 Ų5259 Ų5928%0.27831%0.305SS..  trans-65.6152.8-172.3-73.4-44.5000113.3S261 S265 Y266S261-N263 VanDerWaalsContact C-N 3.3Å; S261-N263 PolarHBondContact O-N 3.29Å; S261-N263 VanDerWaalsContact O-N 3.15Å; N263-S265 PolarHBondContact O-N 2.89Å; N263-Y266 HydrophobicContact CB-CD2 4.13Å; N263-Y266 HydrophobicContact CB-CE2 4.19Å; N263-Y266 PolarHBondContact O-N 2.76Å
264P96.4Very high89.5Confident23 Ų2362.2 Ų62.215%0.14933%0.325CS..G310 helixtrans-55.2-35.7176.622-33.5000113.1I246 A248 Y266 A267 L289I246-P264 HydrophobicContact CG2-CB 4.19Å; I246-P264 WeakPolarHBondContact CG2-O 3.22Å; I246-P264 WeakPolarHBondContact O-CG 3.42Å; A248-P264 HydrophobicContact CB-CB 3.91Å; A248-P264 HydrophobicContact CB-CG 4.38Å; P264-Y266 PolarHBondContact O-N 2.86Å; P264-A267 WeakPolarHBondContact O-CB 3.48Å; P264-A267 PolarHBondContact O-N 2.75Å; P264-L289 HydrophobicContact CB-CD1 3.71Å
265S95.8Very high89.7Confident17 Ų1763.9 Ų63.912%0.11933%0.332CS..G310 helixtrans-61.8-15.1177.557.80000115.6D243 N263 R268D243-S265 WeakPolarHBondContact OD2-CB 3.37Å; N263-S265 PolarHBondContact O-N 2.89Å; S265-R268 PolarHBondContact O-NE 2.98Å; S265-R268 VanDerWaalsContact O-NE 3.13Å
266Y95.6Very high90.1Very high76 Ų7655.8 Ų55.830%0.29830%0.302SS..G310 helixtrans-88.2-2.2174-58.6-33.6000113.7S261 N263 P264 R268 F275 N276 A277S261-Y266 WeakPolarHBondContact O-CE2 3.16Å; N263-Y266 HydrophobicContact CB-CD2 4.13Å; N263-Y266 HydrophobicContact CB-CE2 4.19Å; N263-Y266 PolarHBondContact O-N 2.76Å; P264-Y266 PolarHBondContact O-N 2.86Å; Y266-R268 PolarHBondContact O-N 2.78Å; Y266-F275 HydrophobicContact CD2-CB 4.39Å; Y266-F275 HydrophobicContact CE2-CB 4.28Å; Y266-N276 CarbonylContact O-C 3.57Å; Y266-A277 WeakPolarHBondContact O-CA 3.35Å
267A97.1Very high90.8Very high1 Ų153.3 Ų53.31%0.00828%0.277CS..  trans-72.133179.900000115P264 W278 L289 L380 L382P264-A267 WeakPolarHBondContact O-CB 3.48Å; P264-A267 PolarHBondContact O-N 2.75Å; A267-W278 HydrophobicContact CB-CB 3.7Å; A267-L289 HydrophobicContact CB-CD1 4.19Å; A267-L289 HydrophobicContact CB-CD2 3.42Å; A267-L289 VanDerWaalsContact CB-CD2 3.42Å; A267-L289 HydrophobicContact CB-CG 4.43Å; A267-L380 WeakPolarHBondContact CA-O 3.06Å; A267-L382 HydrophobicContact CB-CD2 4.4Å; A267-L382 PolarHBondContact O-N 2.86Å
268R97.6Very high91.5Very high2 Ų249.2 Ų49.21%0.00826%0.255CS..BIsolated β-bridgetrans-95.3134.4-175-58.8174.1179.2-82.36.2110L236 N239 I241 D243 I246 S265 Y266 D270 K271 R381L236-R268 HydrophobicContact CB-CG 4.49Å; L236-R268 WeakPolarHBondContact O-CB 3.35Å; L236-R268 WeakPolarHBondContact O-CD 3.45Å; L236-R268 WeakPolarHBondContact O-CG 3.47Å; L236-R268 PolarHBondContact O-NH1 2.91Å; N239-R268 WeakPolarHBondContact OD1-CD 3.24Å; N239-R268 PolarHBondContact OD1-NE 3.01Å; I241-R268 VanDerWaalsContact O-CZ 3.29Å; I241-R268 PolarHBondContact O-NH1 3.48Å; I241-R268 PolarHBondContact O-NH2 2.92Å; D243-R268 IonicContact OD1-CZ 3.96Å; D243-R268 IonicContact OD1-NE 2.94Å; D243-R268 IonicContact OD1-NH2 3.14Å; D243-R268 PolarHBondContact OD1-NH2 3.37Å; I246-R268 HydrophobicContact CD1-CG 4.41Å; S265-R268 PolarHBondContact O-NE 2.98Å; S265-R268 VanDerWaalsContact O-NE 3.13Å; Y266-R268 PolarHBondContact O-N 2.78Å; R268-D270 PolarHBondContact O-N 2.94Å; R268-K271 HydrophobicContact CB-CB 4.28Å; R268-K271 WeakPolarHBondContact O-CB 3.32Å; R268-K271 PolarHBondContact O-N 2.93Å; R268-K271 VanDerWaalsContact O-N 3.14Å; R268-R381 WeakPolarHBondContact O-CB 3.49Å; R268-R381 WeakPolarHBondContact O-CD 3.35Å; R268-R381 VanDerWaalsContact O-CG 3.31Å; R268-R381 WeakPolarHBondContact O-CG 3.27Å
269L96.1Very high92.4Very high7 Ų742.5 Ų42.54%0.03722%0.224CC..THydrogen-bonded Turntrans-53.3136.6178.4-17068.7000111.3K237 K271 I303 Q305 L382 E383K237-L269 HydrophobicContact CB-CB 4.33Å; K237-L269 HydrophobicContact CD-CB 4.3Å; K237-L269 HydrophobicContact CD-CD2 4.3Å; K237-L269 HydrophobicContact CD-CG 4.46Å; K237-L269 WeakPolarHBondContact CG-O 3.27Å; L269-K271 PolarHBondContact O-N 3.11Å; L269-I303 HydrophobicContact CD1-CB 4.5Å; L269-I303 HydrophobicContact CD1-CG2 3.79Å; L269-I303 HydrophobicContact CD2-CB 4.09Å; L269-I303 HydrophobicContact CD2-CD1 4.2Å; L269-I303 HydrophobicContact CD2-CG2 3.78Å; L269-I303 HydrophobicContact CG-CG2 4.47Å; L269-Q305 HydrophobicContact CD1-CB 3.69Å; L269-L382 PolarHBondContact N-O 3.35Å; L269-E383 HydrophobicContact CB-CB 3.87Å; L269-E383 HydrophobicContact CD2-CB 3.81Å; L269-E383 HydrophobicContact CG-CB 4.44Å
270D94.4Very high93.2Very high37 Ų3735.1 Ų35.120%0.19819%0.186CC..THydrogen-bonded Turntrans5714.4-177.9-60.8-43.6000116.5K237 R268 Q272 Q305 H353K237-D270 WeakPolarHBondContact CE-OD2 3.43Å; K237-D270 IonicContact NZ-OD2 2.81Å; K237-D270 PolarHBondContact NZ-OD2 3.19Å; R268-D270 PolarHBondContact O-N 2.94Å; D270-Q272 WeakPolarHBondContact O-CG 3.28Å; D270-Q272 PolarHBondContact O-N 3.11Å; D270-Q272 PolarHBondContact O-NE2 2.75Å; D270-Q305 PolarHBondContact OD1-NE2 3.48Å; D270-Q305 PolarHBondContact OD1-OE1 2.92Å; D270-H353 VanDerWaalsContact CG-NE2 3.33Å; D270-H353 IonicContact OD1-CD2 3.78Å; D270-H353 IonicContact OD1-CE1 2.87Å; D270-H353 IonicContact OD1-NE2 2.77Å; D270-H353 PolarHBondContact OD1-NE2 2.85Å; D270-H353 IonicContact OD2-CE1 3.33Å; D270-H353 PolarHBondContact OD2-CE1 3.24Å; D270-H353 IonicContact OD2-NE2 3.49Å; D270-H353 PolarHBondContact OD2-NE2 3.24Å
271K93.8Very high93.6Very high68 Ų6833.8 Ų33.830%0.29619%0.19SC..  trans-54.4135.3171.9-168.171.3170.7-174.70110.1R268 L269 N276 R381R268-K271 HydrophobicContact CB-CB 4.28Å; R268-K271 WeakPolarHBondContact O-CB 3.32Å; R268-K271 PolarHBondContact O-N 2.93Å; R268-K271 VanDerWaalsContact O-N 3.14Å; L269-K271 PolarHBondContact O-N 3.11Å; K271-N276 HydrophobicContact CB-CB 4.46Å; K271-N276 WeakPolarHBondContact CB-O 3.39Å; K271-N276 HydrophobicContact CG-CB 4.31Å; K271-N276 WeakPolarHBondContact O-CB 3.29Å; K271-N276 PolarHBondContact O-ND2 2.94Å; K271-R381 PolarHBondContact O-NH1 2.96Å
272Q91.2Very high93.7Very high137 Ų13735.4 Ų35.464%0.6420%0.202SC*.  trans-111.3163.2-179-57.8-57.6-37.500111.1D270D270-Q272 WeakPolarHBondContact O-CG 3.28Å; D270-Q272 PolarHBondContact O-N 3.11Å; D270-Q272 PolarHBondContact O-NE2 2.75Å
273G87.7Confident93.5Very high52 Ų5241.1 Ų41.154%0.53622%0.224SC..SBendtrans116.2178-179.200000113F275 N276G273-F275 VanDerWaalsContact C-N 3.33Å; G273-F275 PolarHBondContact O-N 3.25Å; G273-N276 WeakPolarHBondContact O-CB 3.25Å
274N84.3Confident93.4Very high139 Ų13940.4 Ų40.474%0.74322%0.223SC*.SBendtrans-71.1-29-177.5-63.7-18000113.1W262W262-N274 WeakPolarHBondContact CH2-O 3.35Å
275F87.9Confident93Very high40 Ų4045 Ų4518%0.17525%0.246CC..SBendtrans-125.291.4176-54.5-75000106.9T254 F260 W262 Y266 G273T254-F275 WeakPolarHBondContact OG1-CE1 3.38Å; F260-F275 HydrophobicContact CB-CE1 3.73Å; F260-F275 HydrophobicContact CB-CE2 4.07Å; F260-F275 HydrophobicContact CB-CZ 3.46Å; F260-F275 VanDerWaalsContact CB-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CD2 4.42Å; F260-F275 AromaticContact CD1-CE2 3.39Å; F260-F275 HydrophobicContact CD1-CE2 3.39Å; F260-F275 AromaticContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CD1-CZ 3.46Å; F260-F275 VanDerWaalsContact CD1-CZ 3.46Å; F260-F275 HydrophobicContact CE1-CE2 4.19Å; F260-F275 HydrophobicContact CE1-CZ 4.41Å; F260-F275 HydrophobicContact CG-CE1 4.43Å; F260-F275 HydrophobicContact CG-CE2 4.06Å; F260-F275 AromaticContact CG-CZ 3.66Å; F260-F275 HydrophobicContact CG-CZ 3.66Å; W262-F275 HydrophobicContact CD2-CD1 4.2Å; W262-F275 AromaticContact CE2-CD1 3.57Å; W262-F275 AromaticContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CD1 3.75Å; W262-F275 HydrophobicContact CZ2-CE1 4.17Å; W262-F275 AromaticContact NE1-CD1 3.55Å; W262-F275 AromaticContact NE1-CE1 3.84Å; Y266-F275 HydrophobicContact CD2-CB 4.39Å; Y266-F275 HydrophobicContact CE2-CB 4.28Å; G273-F275 VanDerWaalsContact C-N 3.33Å; G273-F275 PolarHBondContact O-N 3.25Å
276N92.7Very high92.9Very high14 Ų1449.2 Ų49.28%0.07527%0.267CS..  trans-124.915.3-164.673.8-33.6000113.8Y266 K271 G273 R381Y266-N276 CarbonylContact O-C 3.57Å; K271-N276 HydrophobicContact CB-CB 4.46Å; K271-N276 WeakPolarHBondContact CB-O 3.39Å; K271-N276 HydrophobicContact CG-CB 4.31Å; K271-N276 WeakPolarHBondContact O-CB 3.29Å; K271-N276 PolarHBondContact O-ND2 2.94Å; G273-N276 WeakPolarHBondContact O-CB 3.25Å; N276-R381 PolarHBondContact ND2-NH1 3.23Å; N276-R381 WeakPolarHBondContact O-CD 3.28Å; N276-R381 WeakPolarHBondContact O-CG 3.43Å
277A96.3Very high92.9Very high0 Ų046 Ų460%026%0.255CS..SBendtrans-147.2166.6178.400000110W262 Y266 A307 R381W262-A277 HydrophobicContact CE3-CB 4.06Å; W262-A277 HydrophobicContact CZ3-CB 4.08Å; Y266-A277 WeakPolarHBondContact O-CA 3.35Å; A277-A307 HydrophobicContact CB-CB 3.53Å; A277-R381 HydrophobicContact CB-CG 3.88Å
278W96.9Very high92.9Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans-78.9140.2156.8169.566.9000109.5A248 S250 A267 A280 L289 P371 I378 A379 L380A248-W278 HydrophobicContact CB-CZ2 3.91Å; A248-W278 VanDerWaalsContact CB-NE1 3.29Å; S250-W278 PolarHBondContact O-NE1 2.94Å; A267-W278 HydrophobicContact CB-CB 3.7Å; W278-A280 HydrophobicContact CH2-CB 4.03Å; W278-A280 HydrophobicContact CZ2-CB 3.73Å; W278-L289 HydrophobicContact CB-CD1 4.25Å; W278-L289 HydrophobicContact CB-CD2 4.48Å; W278-L289 HydrophobicContact CD2-CB 4.15Å; W278-L289 HydrophobicContact CD2-CD1 3.96Å; W278-L289 HydrophobicContact CD2-CD2 4.32Å; W278-L289 HydrophobicContact CD2-CG 4.38Å; W278-L289 HydrophobicContact CE3-CB 3.78Å; W278-L289 HydrophobicContact CE3-CD1 4.3Å; W278-L289 HydrophobicContact CE3-CD2 3.9Å; W278-L289 HydrophobicContact CE3-CG 4.22Å; W278-L289 HydrophobicContact CG-CD1 3.94Å; W278-L289 HydrophobicContact CH2-CB 4.01Å; W278-L289 HydrophobicContact CZ2-CB 4.38Å; W278-L289 HydrophobicContact CZ3-CB 3.71Å; W278-P371 HydrophobicContact CZ3-CG 4.42Å; W278-I378 HydrophobicContact CH2-CG2 3.87Å; W278-I378 HydrophobicContact CZ3-CG2 3.73Å; W278-A379 WeakPolarHBondContact O-CA 3.33Å; W278-L380 HydrophobicContact CE3-CB 4.07Å; W278-L380 PolarHBondContact N-O 2.88Å; W278-L380 VanDerWaalsContact N-O 3.1Å; W278-L380 PolarHBondContact O-N 2.95Å
279V96Very high93Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-132.2127.3169.4179.50000108.2S251 Y252 W262 R377 I378 A379S251-V279 CarbonylContact C-O 3.52Å; S251-V279 WeakPolarHBondContact CA-O 3.33Å; Y252-V279 HydrophobicContact CD1-CG1 4.37Å; Y252-V279 HydrophobicContact CG-CG1 4.34Å; Y252-V279 PolarHBondContact N-O 3.33Å; W262-V279 HydrophobicContact CB-CB 3.57Å; W262-V279 HydrophobicContact CB-CG2 3.77Å; W262-V279 HydrophobicContact CD2-CB 4.25Å; W262-V279 HydrophobicContact CD2-CG2 3.53Å; W262-V279 HydrophobicContact CE3-CG2 3.45Å; W262-V279 VanDerWaalsContact CE3-CG2 3.45Å; W262-V279 HydrophobicContact CG-CB 3.85Å; W262-V279 HydrophobicContact CG-CG2 3.69Å; W262-V279 HydrophobicContact CZ3-CG2 4.28Å; W262-V279 PolarHBondContact O-N 2.93Å; V279-R377 HydrophobicContact CG1-CB 3.98Å; V279-I378 VanDerWaalsContact CA-O 3.23Å; V279-I378 WeakPolarHBondContact CA-O 3.39Å; V279-I378 WeakPolarHBondContact CG1-O 3.12Å; V279-A379 HydrophobicContact CG2-CB 3.78Å
280A96.2Very high93Very high1 Ų149.3 Ų49.31%0.00827%0.268CS..  trans-65.4143.617800000111.3W278 S282 Q287 I378W278-A280 HydrophobicContact CH2-CB 4.03Å; W278-A280 HydrophobicContact CZ2-CB 3.73Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-Q287 HydrophobicContact CB-CB 4.16Å; A280-Q287 HydrophobicContact CB-CG 3.96Å; A280-I378 HydrophobicContact CB-CB 3.87Å; A280-I378 HydrophobicContact CB-CD1 4.18Å; A280-I378 HydrophobicContact CB-CG2 3.94Å; A280-I378 PolarHBondContact N-O 3.39Å
281G92.8Very high93.2Very high36 Ų3647.7 Ų47.737%0.37126%0.259SS..SBendtrans-68.5-29.8177.800000113.5S250S250-G281 WeakPolarHBondContact OG-CA 3.12Å; S250-G281 PolarHBondContact OG-N 2.85Å
282S90.9Very high93.4Very high42 Ų4245.5 Ų45.529%0.29425%0.251SS..SBendtrans-121.2165178.659.60000112.6A280 S284 Q287A280-S282 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact OG-OG 3.21Å; S282-Q287 PolarHBondContact OG-NE2 2.78Å; S282-Q287 VanDerWaalsContact OG-NE2 3.12Å
283Y90.1Very high93.7Very high120 Ų12040 Ų4047%0.47123%0.225SC..  trans-10657.7-177.6-58.7-67.9000111.5W374 N376 R377Y283-W374 AromaticContact CD1-NE1 4Å; Y283-W374 WeakPolarHBondContact O-CZ2 3.21Å; Y283-N376 VanDerWaalsContact CE1-O 3.29Å; Y283-N376 WeakPolarHBondContact CE1-O 3.13Å; Y283-R377 HydrophobicContact CE1-CB 4.05Å; Y283-R377 HydrophobicContact CE1-CG 3.79Å; Y283-R377 PolarHBondContact OH-NE 2.85Å; Y283-R377 PolarHBondContact OH-NH1 3.35Å; Y283-R377 PolarHBondContact OH-NH2 2.99Å
284S90.9Very high94Very high37 Ų3739 Ų3926%0.25922%0.216SC..SBendtrans-133.2151.3-168.5470000111.9S282 D286 Q287S282-S284 PolarHBondContact OG-OG 3.21Å; S284-D286 WeakPolarHBondContact CB-OD1 3.44Å; S284-D286 PolarHBondContact O-N 2.91Å; S284-D286 PolarHBondContact OG-OD1 2.75Å; S284-Q287 VanDerWaalsContact O-CG 3.28Å; S284-Q287 WeakPolarHBondContact O-CG 3.4Å; S284-Q287 PolarHBondContact O-N 3.27Å
285N88.6Confident94.4Very high119 Ų11935.1 Ų35.164%0.63620%0.199SC*.THydrogen-bonded Turntrans-77.31.9-174.7-62.1-8.7000113.4W374N285-W374 VanDerWaalsContact OD1-CH2 3.23Å; N285-W374 WeakPolarHBondContact OD1-CH2 3.45Å; N285-W374 WeakPolarHBondContact OD1-CZ3 3.36Å
286D92.9Very high94.7Very high105 Ų10538 Ų3856%0.56122%0.216SC*.THydrogen-bonded Turntrans-89.5-5.3173.268.5-23.4000112.7S284S284-D286 WeakPolarHBondContact CB-OD1 3.44Å; S284-D286 PolarHBondContact O-N 2.91Å; S284-D286 PolarHBondContact OG-OD1 2.75Å
287Q97.1Very high94.8Very high9 Ų940.5 Ų40.54%0.04223%0.227CC..  trans-73144.1-179.1-61.8-52.4-69.300111.4S249 S250 A280 S282 S284 P371 I378S249-Q287 WeakPolarHBondContact OG-CA 3.35Å; S249-Q287 PolarHBondContact OG-OE1 3.36Å; S250-Q287 PolarHBondContact OG-OE1 2.85Å; A280-Q287 HydrophobicContact CB-CB 4.16Å; A280-Q287 HydrophobicContact CB-CG 3.96Å; S282-Q287 PolarHBondContact OG-NE2 2.78Å; S282-Q287 VanDerWaalsContact OG-NE2 3.12Å; S284-Q287 VanDerWaalsContact O-CG 3.28Å; S284-Q287 WeakPolarHBondContact O-CG 3.4Å; S284-Q287 PolarHBondContact O-N 3.27Å; Q287-P371 WeakPolarHBondContact O-CD 3.28Å; Q287-I378 HydrophobicContact CB-CD1 4.07Å; Q287-I378 HydrophobicContact CG-CD1 4.15Å
288W97.4Very high94.7Very high60 Ų6043.8 Ų43.823%0.22724%0.242CC..  trans-148.3150.1179.555.4-98.8000111.4A248 S249 Q290 R368 V369 L370A248-W288 VanDerWaalsContact C-CZ3 3.49Å; A248-W288 CarbonylContact C-O 3.56Å; A248-W288 VanDerWaalsContact CA-CZ3 3.49Å; A248-W288 VanDerWaalsContact CA-O 3.28Å; A248-W288 WeakPolarHBondContact CA-O 3.01Å; A248-W288 WeakPolarHBondContact CB-O 3.39Å; S249-W288 PolarHBondContact N-O 3.41Å; S249-W288 PolarHBondContact OG-N 2.87Å; S249-W288 PolarHBondContact OG-O 2.82Å; W288-Q290 HydrophobicContact CE3-CB 3.66Å; W288-Q290 HydrophobicContact CZ3-CB 3.52Å; W288-R368 HydrophobicContact CB-CG 4.43Å; W288-R368 HydrophobicContact CE3-CG 4.28Å; W288-V369 WeakPolarHBondContact CA-O 3.37Å; W288-L370 HydrophobicContact CB-CD2 3.54Å
289L98.1Very high94.6Very high1 Ų143.8 Ų43.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-119.2130.5167.5177.172.1000107.7I246 A248 P264 A267 W278 R368 V369 L380 L382I246-L289 HydrophobicContact CG2-CD1 4.04Å; A248-L289 HydrophobicContact CB-CD1 4.01Å; P264-L289 HydrophobicContact CB-CD1 3.71Å; A267-L289 HydrophobicContact CB-CD1 4.19Å; A267-L289 HydrophobicContact CB-CD2 3.42Å; A267-L289 VanDerWaalsContact CB-CD2 3.42Å; A267-L289 HydrophobicContact CB-CG 4.43Å; W278-L289 HydrophobicContact CB-CD1 4.25Å; W278-L289 HydrophobicContact CB-CD2 4.48Å; W278-L289 HydrophobicContact CD2-CB 4.15Å; W278-L289 HydrophobicContact CD2-CD1 3.96Å; W278-L289 HydrophobicContact CD2-CD2 4.32Å; W278-L289 HydrophobicContact CD2-CG 4.38Å; W278-L289 HydrophobicContact CE3-CB 3.78Å; W278-L289 HydrophobicContact CE3-CD1 4.3Å; W278-L289 HydrophobicContact CE3-CD2 3.9Å; W278-L289 HydrophobicContact CE3-CG 4.22Å; W278-L289 HydrophobicContact CG-CD1 3.94Å; W278-L289 HydrophobicContact CH2-CB 4.01Å; W278-L289 HydrophobicContact CZ2-CB 4.38Å; W278-L289 HydrophobicContact CZ3-CB 3.71Å; L289-R368 CarbonylContact O-C 3.57Å; L289-R368 VanDerWaalsContact O-CA 3.27Å; L289-R368 WeakPolarHBondContact O-CA 3.43Å; L289-V369 PolarHBondContact N-O 3.28Å; L289-V369 VanDerWaalsContact N-O 3.15Å; L289-V369 PolarHBondContact O-N 2.82Å; L289-L380 HydrophobicContact CD2-CD2 4.14Å; L289-L382 HydrophobicContact CD2-CD2 3.32Å; L289-L382 HydrophobicContact CG-CD2 4.46Å
290Q97.9Very high94.4Very high18 Ų1843.9 Ų43.98%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-120.1139.3-173.4176.9177.2-42.900110.9I246 T247 W288 W330 V367 R368I246-Q290 WeakPolarHBondContact CA-O 3.35Å; T247-Q290 PolarHBondContact N-O 2.78Å; T247-Q290 PolarHBondContact O-N 2.68Å; W288-Q290 HydrophobicContact CE3-CB 3.66Å; W288-Q290 HydrophobicContact CZ3-CB 3.52Å; Q290-W330 HydrophobicContact CG-CH2 4.04Å; Q290-V367 CarbonylContact C-O 3.53Å; Q290-V367 VanDerWaalsContact CA-O 3.3Å; Q290-V367 WeakPolarHBondContact CA-O 3.17Å; Q290-R368 HydrophobicContact CB-CG 3.75Å; Q290-R368 HydrophobicContact CG-CG 4.11Å; Q290-R368 VanDerWaalsContact OE1-CZ 3.27Å
291V98.3Very high94.3Very high4 Ų443.9 Ų43.92%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-121.3125.2173.3-173.70000108.4L236 I241 L293 Y366 V367 L384L236-V291 HydrophobicContact CD1-CG2 4.18Å; L236-V291 HydrophobicContact CD2-CG1 4.04Å; L236-V291 HydrophobicContact CD2-CG2 4.27Å; I241-V291 HydrophobicContact CD1-CG1 4.06Å; I241-V291 HydrophobicContact CG2-CG1 4.19Å; V291-L293 HydrophobicContact CG1-CD2 4.03Å; V291-Y366 WeakPolarHBondContact O-CA 3.1Å; V291-V367 PolarHBondContact N-O 2.79Å; V291-V367 PolarHBondContact O-N 2.83Å; V291-L384 HydrophobicContact CB-CD1 4Å; V291-L384 HydrophobicContact CG1-CD1 4.12Å; V291-L384 HydrophobicContact CG2-CD1 4.19Å
292D97.9Very high94.4Very high22 Ų2242.2 Ų42.212%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-89.4118.5165.2177.316.9000109.2Q245 G294 R365 Y366Q245-D292 HydrophobicContact CB-CB 4.04Å; Q245-D292 WeakPolarHBondContact CB-O 3.4Å; Q245-D292 HydrophobicContact CG-CB 4.13Å; Q245-D292 PolarHBondContact NE2-O 2.93Å; Q245-D292 PolarHBondContact O-N 2.86Å; Q245-D292 PolarHBondContact OE1-O 2.84Å; D292-G294 PolarHBondContact O-N 3.01Å; D292-G294 WeakPolarHBondContact OD1-CA 3.14Å; D292-G294 PolarHBondContact OD1-N 3.28Å; D292-R365 WeakPolarHBondContact OD1-CG 3.06Å; D292-R365 IonicContact OD1-CZ 3.83Å; D292-R365 IonicContact OD1-NE 3.67Å; D292-R365 PolarHBondContact OD1-NE 3.06Å; D292-R365 IonicContact OD1-NH2 2.67Å; D292-R365 PolarHBondContact OD1-NH2 3.41Å; D292-R365 IonicContact OD2-CZ 3.33Å; D292-R365 IonicContact OD2-NE 3.88Å; D292-R365 IonicContact OD2-NH2 2.76Å; D292-R365 PolarHBondContact OD2-NH2 2.79Å; D292-Y366 HydrophobicContact CB-CD1 3.69Å; D292-Y366 HydrophobicContact CB-CE1 3.57Å; D292-Y366 WeakPolarHBondContact OD1-CE1 3.47Å
293L96.1Very high94.7Very high20 Ų2041.5 Ų41.511%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-81.8-2.9178.4-57.3174.1000112.5L234 I241 V291 S295 K297 V299 R365 V367 L384L234-L293 HydrophobicContact CB-CD2 4.34Å; L234-L293 HydrophobicContact CD1-CD1 3.99Å; L234-L293 HydrophobicContact CD1-CD2 3.91Å; I241-L293 HydrophobicContact CD1-CD2 3.91Å; V291-L293 HydrophobicContact CG1-CD2 4.03Å; L293-S295 PolarHBondContact O-N 3.29Å; L293-K297 HydrophobicContact CB-CB 4.4Å; L293-K297 HydrophobicContact CB-CG 3.96Å; L293-K297 HydrophobicContact CD1-CB 3.75Å; L293-K297 HydrophobicContact CD1-CG 4.19Å; L293-V299 HydrophobicContact CD1-CG2 3.57Å; L293-R365 VanDerWaalsContact CB-O 3.31Å; L293-R365 WeakPolarHBondContact CB-O 3.43Å; L293-R365 WeakPolarHBondContact CG-O 3.4Å; L293-R365 PolarHBondContact N-O 2.99Å; L293-V367 HydrophobicContact CD1-CG2 4.17Å; L293-L384 HydrophobicContact CD2-CD1 4.01Å
294G94.1Very high95Very high33 Ų3335.8 Ų35.834%0.3420%0.195SC..EExtended strand (participates in β ladder)trans79.5-42.9178.100000114D292 R365D292-G294 PolarHBondContact O-N 3.01Å; D292-G294 WeakPolarHBondContact OD1-CA 3.14Å; D292-G294 PolarHBondContact OD1-N 3.28Å; G294-R365 VanDerWaalsContact O-CZ 3.32Å; G294-R365 PolarHBondContact O-NE 3.15Å
295S93.3Very high95.3Very high56 Ų5634 Ų3439%0.39218%0.183SC..EExtended strand (participates in β ladder)trans-118.317217173.10000111.2L293 K297 R365L293-S295 PolarHBondContact O-N 3.29Å; S295-K297 WeakPolarHBondContact OG-CE 3.45Å; S295-R365 WeakPolarHBondContact O-CA 3.21Å; S295-R365 WeakPolarHBondContact O-CG 3.36Å
296L95.3Very high95.7Very high101 Ų10128.4 Ų28.453%0.52915%0.153SC..EExtended strand (participates in β ladder)trans-61136.1160-172.567.4000108.5N325L296-N325 VanDerWaalsContact CD1-OD1 3.26Å; L296-N325 WeakPolarHBondContact CD1-OD1 3.1Å
297K93.7Very high95.7Very high67 Ų6723.4 Ų23.429%0.29113%0.126SC..EExtended strand (participates in β ladder)trans-141.5152.4-178.5-73.6-70.4173179.70109.9L234 L293 S295 L363 A364 C387L234-K297 HydrophobicContact CD2-CD 4.46Å; L293-K297 HydrophobicContact CB-CB 4.4Å; L293-K297 HydrophobicContact CB-CG 3.96Å; L293-K297 HydrophobicContact CD1-CB 3.75Å; L293-K297 HydrophobicContact CD1-CG 4.19Å; S295-K297 WeakPolarHBondContact OG-CE 3.45Å; K297-L363 WeakPolarHBondContact O-CA 3.47Å; K297-A364 PolarHBondContact N-O 3.43Å; K297-A364 PolarHBondContact O-N 3.49Å; K297-A364 VanDerWaalsContact O-O 3.09Å; K297-C387 WeakPolarHBondContact CA-OXT 3.29Å; K297-C387 WeakPolarHBondContact CD-O 3.36Å; K297-C387 WeakPolarHBondContact CD-OXT 3.32Å; K297-C387 WeakPolarHBondContact CE-O 3.36Å; K297-C387 PolarHBondContact NZ-O 3.14Å
298E93.8Very high95.4Very high68 Ų6830 Ų3032%0.31815%0.15SC..EExtended strand (participates in β ladder)trans-92.8112.4169.5179.2178.8171.100108C230 T300 P361 L363 G386 C387C230-E298 WeakPolarHBondContact SG-CB 3.49Å; C230-E298 VanDerWaalsContact SG-CG 3.58Å; C230-E298 PolarHBondContact SG-O 2.87Å; E298-T300 HydrophobicContact CG-CG2 4.37Å; E298-P361 HydrophobicContact CG-CB 3.6Å; E298-P361 WeakPolarHBondContact OE1-CB 3.34Å; E298-P361 VanDerWaalsContact OE1-CG 3.22Å; E298-P361 WeakPolarHBondContact OE1-CG 3.33Å; E298-L363 HydrophobicContact CB-CD2 3.75Å; E298-L363 HydrophobicContact CG-CD2 4.27Å; E298-G386 CarbonylContact O-C 3.52Å; E298-G386 WeakPolarHBondContact O-CA 3.45Å; E298-C387 PolarHBondContact N-OXT 3.34Å; E298-C387 PolarHBondContact O-N 3.43Å
299V95.2Very high94.8Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-102.5117.2-178.7-1670000108L234 L293 F358 I362 V367 L384 L385L234-V299 HydrophobicContact CD1-CG1 4.34Å; L234-V299 HydrophobicContact CD1-CG2 4.07Å; L293-V299 HydrophobicContact CD1-CG2 3.57Å; V299-F358 HydrophobicContact CG1-CE2 4Å; V299-F358 WeakPolarHBondContact O-CD2 2.98Å; V299-I362 HydrophobicContact CB-CB 4.4Å; V299-I362 PolarHBondContact N-O 2.81Å; V299-I362 PolarHBondContact O-N 3.08Å; V299-V367 HydrophobicContact CG2-CG2 4Å; V299-L384 HydrophobicContact CG1-CB 4.43Å; V299-L384 HydrophobicContact CG1-CD2 4.45Å; V299-L385 CarbonylContact C-O 3.56Å; V299-L385 WeakPolarHBondContact CA-O 3.44Å; V299-L385 WeakPolarHBondContact CG1-O 3.09Å
300T91.9Very high94Very high3 Ų335 Ų352%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-104.4-10.4-175.357.70000113.3C230 F231 E298 F358 P361 L385C230-T300 HydrophobicContact CB-CG2 3.83Å; C230-T300 WeakPolarHBondContact O-CB 3.15Å; C230-T300 WeakPolarHBondContact O-CG2 3.1Å; C230-T300 PolarHBondContact O-OG1 2.91Å; F231-T300 HydrophobicContact CD1-CG2 4.25Å; F231-T300 WeakPolarHBondContact CD1-OG1 3.38Å; F231-T300 VanDerWaalsContact CE1-CB 3.4Å; F231-T300 HydrophobicContact CE1-CG2 3.94Å; F231-T300 WeakPolarHBondContact CE1-OG1 3.28Å; F231-T300 HydrophobicContact CZ-CG2 4.15Å; E298-T300 HydrophobicContact CG-CG2 4.37Å; T300-F358 PolarHBondContact O-N 2.79Å; T300-P361 HydrophobicContact CG2-CB 4.1Å; T300-P361 HydrophobicContact CG2-CG 4.16Å; T300-L385 PolarHBondContact N-O 2.78Å; T300-L385 PolarHBondContact OG1-O 2.89Å
301G93.2Very high93.1Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans173.9-164.1170.100000114.8N356 L385G301-N356 WeakPolarHBondContact CA-O 3.4Å; G301-L385 PolarHBondContact N-O 2.98Å; G301-L385 PolarHBondContact O-N 3.12Å
302I96.4Very high92.6Very high1 Ų138.8 Ų38.81%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-150.7134.8-170.2-179.7173.7000110T304 Y319 N356 F358 V369 L382 E383 L384I302-T304 HydrophobicContact CD1-CG2 3.84Å; I302-T304 HydrophobicContact CG1-CG2 3.91Å; I302-Y319 HydrophobicContact CD1-CE2 4.37Å; I302-Y319 HydrophobicContact CG2-CE2 4.05Å; I302-Y319 VanDerWaalsContact CG2-OH 3.31Å; I302-Y319 WeakPolarHBondContact CG2-OH 3.41Å; I302-N356 HydrophobicContact CG2-CB 4.32Å; I302-N356 PolarHBondContact N-O 2.78Å; I302-N356 PolarHBondContact O-N 3.21Å; I302-N356 VanDerWaalsContact O-O 3.07Å; I302-F358 HydrophobicContact CG2-CE1 4.04Å; I302-F358 HydrophobicContact CG2-CZ 4.04Å; I302-V369 HydrophobicContact CD1-CG2 3.53Å; I302-L382 HydrophobicContact CD1-CB 4.34Å; I302-L382 HydrophobicContact CD1-CD1 3.94Å; I302-L382 HydrophobicContact CG1-CB 4.35Å; I302-L382 HydrophobicContact CG1-CD1 4.21Å; I302-E383 CarbonylContact C-O 3.6Å; I302-E383 WeakPolarHBondContact CA-O 3.39Å; I302-L384 HydrophobicContact CB-CD2 4.03Å; I302-L384 HydrophobicContact CD1-CD2 4.09Å; I302-L384 HydrophobicContact CG1-CD2 3.99Å
303I95.8Very high92.4Very high28 Ų2839.6 Ų39.614%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-101.5130.8166.7-55.3174.8000107.4L269 H353 K354 K355 L382 E383 L385L269-I303 HydrophobicContact CD1-CB 4.5Å; L269-I303 HydrophobicContact CD1-CG2 3.79Å; L269-I303 HydrophobicContact CD2-CB 4.09Å; L269-I303 HydrophobicContact CD2-CD1 4.2Å; L269-I303 HydrophobicContact CD2-CG2 3.78Å; L269-I303 HydrophobicContact CG-CG2 4.47Å; I303-H353 HydrophobicContact CG2-CB 3.82Å; I303-K354 WeakPolarHBondContact CA-O 3.17Å; I303-K355 HydrophobicContact CG1-CB 4.22Å; I303-K355 HydrophobicContact CG1-CG 4Å; I303-L382 CarbonylContact O-C 3.58Å; I303-L382 WeakPolarHBondContact O-CA 3.41Å; I303-L382 VanDerWaalsContact O-CB 3.24Å; I303-L382 WeakPolarHBondContact O-CB 3.39Å; I303-E383 HydrophobicContact CB-CB 4.41Å; I303-E383 PolarHBondContact N-O 3.34Å; I303-E383 PolarHBondContact O-N 3.49Å; I303-L385 HydrophobicContact CD1-CD1 4.25Å; I303-L385 HydrophobicContact CD1-CD2 4.03Å; I303-L385 HydrophobicContact CG1-CD1 4Å; I303-L385 HydrophobicContact CG1-CD2 4.32Å; I303-L385 HydrophobicContact CG1-CG 4.33Å
304T97.6Very high92.3Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-118.6146.7178.848.90000111.2I302 Y319 N347 K354 L380 L382I302-T304 HydrophobicContact CD1-CG2 3.84Å; I302-T304 HydrophobicContact CG1-CG2 3.91Å; T304-Y319 HydrophobicContact CG2-CE1 3.68Å; T304-Y319 WeakPolarHBondContact CG2-OH 3.45Å; T304-N347 VanDerWaalsContact C-OD1 3.29Å; T304-N347 WeakPolarHBondContact CB-OD1 3.46Å; T304-N347 PolarHBondContact O-ND2 2.03Å; T304-K354 PolarHBondContact N-O 3.15Å; T304-K354 PolarHBondContact O-N 3.42Å; T304-K354 PolarHBondContact OG1-O 2.98Å; T304-L380 HydrophobicContact CG2-CD1 3.92Å; T304-L382 HydrophobicContact CG2-CB 4.5Å
305Q97.1Very high92.4Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-146.9137.4179.2-172.8-174.54600109.7L269 D270 N347 H351 H353 R381L269-Q305 HydrophobicContact CD1-CB 3.69Å; D270-Q305 PolarHBondContact OD1-NE2 3.48Å; D270-Q305 PolarHBondContact OD1-OE1 2.92Å; Q305-N347 WeakPolarHBondContact CA-ND2 3.05Å; Q305-N347 WeakPolarHBondContact CA-OD1 3.21Å; Q305-N347 PolarHBondContact N-OD1 3.16Å; Q305-H351 WeakPolarHBondContact CG-O 3.01Å; Q305-H351 PolarHBondContact NE2-O 2.85Å; Q305-H353 PolarHBondContact NE2-CD2 3.26Å; Q305-H353 PolarHBondContact NE2-NE2 3.09Å; Q305-R381 HydrophobicContact CB-CB 4.13Å; Q305-R381 VanDerWaalsContact CD-CZ 3.4Å; Q305-R381 VanDerWaalsContact CD-NH2 3.35Å; Q305-R381 PolarHBondContact N-O 2.84Å; Q305-R381 PolarHBondContact O-N 3.02Å; Q305-R381 VanDerWaalsContact OE1-NE 3.16Å
306G95.8Very high92.7Very high0 Ų035.8 Ų35.80%018%0.182CC..  trans-74.1-166.317600000113.9N350 R381G306-N350 CarbonylContact C-O 3.5Å; G306-R381 VanDerWaalsContact O-CZ 3.25Å; G306-R381 PolarHBondContact O-NE 2.88Å; G306-R381 PolarHBondContact O-NH2 2.79Å
307A94.7Very high92.7Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-144.1169.8177.400000112.2W262 A277 Q314 N350 A379W262-A307 HydrophobicContact CZ3-CB 4.35Å; A277-A307 HydrophobicContact CB-CB 3.53Å; A307-Q314 PolarHBondContact N-O 2.96Å; A307-Q314 PolarHBondContact O-N 2.87Å; A307-N350 WeakPolarHBondContact O-CB 3Å; A307-A379 HydrophobicContact CB-CB 4.04Å
308R90.7Very high92.8Very high148 Ų14830.5 Ų30.556%0.55816%0.164SC*.EExtended strand (participates in β ladder)trans-134.7127.8177.6-168.9-179.5-174.8-155.4-0.3109.6G311 S312 N350R308-G311 PolarHBondContact NE-O 2.04Å; R308-G311 PolarHBondContact NH2-O 3.27Å; R308-S312 WeakPolarHBondContact CA-O 3.3Å; R308-N350 HydrophobicContact CB-CB 4.3Å
309N83.4Confident93Very high16 Ų1627.3 Ų27.39%0.08615%0.149CC..EExtended strand (participates in β ladder)trans-123.6119.5-179.3-174.46.1000109.5W262 G311 S312W262-N309 HydrophobicContact CH2-CB 3.97Å; W262-N309 HydrophobicContact CZ2-CB 3.7Å; N309-G311 VanDerWaalsContact C-N 3.31Å; N309-G311 PolarHBondContact O-N 2.87Å; N309-S312 PolarHBondContact N-O 3.41Å; N309-S312 WeakPolarHBondContact O-CA 3.22Å; N309-S312 VanDerWaalsContact O-CB 3.3Å; N309-S312 WeakPolarHBondContact O-CB 3.49Å; N309-S312 PolarHBondContact O-N 3.02Å
310F81.2Confident93.1Very high149 Ų14929.6 Ų29.665%0.65416%0.159SC*.THydrogen-bonded Turntrans39.655.5-175.4-65.8-72.7000113.8T254 W255 S312T254-F310 HydrophobicContact CG2-CE2 4.17Å; W255-F310 HydrophobicContact CH2-CE2 4.32Å; W255-F310 AromaticContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CH2-CZ 3.99Å; W255-F310 HydrophobicContact CZ2-CE2 4.39Å; W255-F310 HydrophobicContact CZ2-CZ 4.42Å; F310-S312 PolarHBondContact O-N 3.04Å; F310-S312 VanDerWaalsContact O-N 3.16Å
311G80.6Confident93.4Very high41 Ų4129.5 Ų29.542%0.42316%0.159SC..THydrogen-bonded Turntrans83.5-27.4-17900000115.2R308 N309R308-G311 PolarHBondContact NE-O 2.04Å; R308-G311 PolarHBondContact NH2-O 3.27Å; N309-G311 VanDerWaalsContact C-N 3.31Å; N309-G311 PolarHBondContact O-N 2.87Å
312S87.4Confident93.6Very high61 Ų6129.7 Ų29.743%0.42716%0.16SC..EExtended strand (participates in β ladder)trans-78.9124-176.2-59.20000112.6R308 N309 F310R308-S312 WeakPolarHBondContact CA-O 3.3Å; N309-S312 PolarHBondContact N-O 3.41Å; N309-S312 WeakPolarHBondContact O-CA 3.22Å; N309-S312 VanDerWaalsContact O-CB 3.3Å; N309-S312 WeakPolarHBondContact O-CB 3.49Å; N309-S312 PolarHBondContact O-N 3.02Å; F310-S312 PolarHBondContact O-N 3.04Å; F310-S312 VanDerWaalsContact O-N 3.16Å
313V93.1Very high93.7Very high39 Ų3932.8 Ų32.824%0.23617%0.172CC..EExtended strand (participates in β ladder)trans-77.2130.7177.1165.20000110.8F315 N350 H375 N376V313-F315 HydrophobicContact CG1-CD1 3.6Å; V313-F315 HydrophobicContact CG1-CE1 3.69Å; V313-N350 HydrophobicContact CG1-CB 4.07Å; V313-N350 HydrophobicContact CG2-CB 4.24Å; V313-N350 WeakPolarHBondContact CG2-OD1 3.41Å; V313-H375 PolarHBondContact O-ND1 3.45Å; V313-H375 VanDerWaalsContact O-ND1 3.15Å; V313-N376 PolarHBondContact O-ND2 2.88Å
314Q94.9Very high93.8Very high11 Ų1131.7 Ų31.75%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-137.9130.1-177.4-61.1174.75.900109.5A307 H375 N376 R377 A379A307-Q314 PolarHBondContact N-O 2.96Å; A307-Q314 PolarHBondContact O-N 2.87Å; Q314-H375 WeakPolarHBondContact CA-O 3.44Å; Q314-N376 HydrophobicContact CG-CB 3.93Å; Q314-R377 HydrophobicContact CB-CB 4.26Å; Q314-R377 HydrophobicContact CG-CB 4.1Å; Q314-R377 HydrophobicContact CG-CG 4.13Å; Q314-A379 HydrophobicContact CB-CB 3.61Å
315F96.4Very high93.8Very high18 Ų1836.3 Ų36.38%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-161.7157.1-178.459.4-97.9000112.9V313 A317 N347 W348 D349 W374 H375V313-F315 HydrophobicContact CG1-CD1 3.6Å; V313-F315 HydrophobicContact CG1-CE1 3.69Å; F315-A317 HydrophobicContact CD2-CB 4.29Å; F315-A317 HydrophobicContact CE2-CB 4.03Å; F315-N347 HydrophobicContact CB-CB 4.08Å; F315-N347 HydrophobicContact CD2-CB 4.18Å; F315-N347 WeakPolarHBondContact CD2-O 3.29Å; F315-N347 WeakPolarHBondContact CE2-O 3.41Å; F315-N347 HydrophobicContact CG-CB 4.33Å; F315-W348 WeakPolarHBondContact CE1-O 3.4Å; F315-W348 VanDerWaalsContact CZ-C 3.41Å; F315-W348 VanDerWaalsContact CZ-O 3.22Å; F315-W348 WeakPolarHBondContact CZ-O 3.3Å; F315-D349 WeakPolarHBondContact CB-O 3.35Å; F315-D349 WeakPolarHBondContact CD1-O 3.47Å; F315-D349 WeakPolarHBondContact CG-O 3.41Å; F315-W374 CarbonylContact O-C 3.51Å; F315-W374 WeakPolarHBondContact O-CA 3.21Å; F315-W374 VanDerWaalsContact O-CB 3.27Å; F315-W374 WeakPolarHBondContact O-CB 3.47Å; F315-H375 HydrophobicContact CD1-CB 3.86Å; F315-H375 HydrophobicContact CD2-CB 4.02Å; F315-H375 HydrophobicContact CE1-CB 3.47Å; F315-H375 VanDerWaalsContact CE1-CB 3.47Å; F315-H375 AromaticContact CE1-CG 3.64Å; F315-H375 AromaticContact CE1-ND1 3.81Å; F315-H375 HydrophobicContact CE2-CB 3.64Å; F315-H375 HydrophobicContact CG-CB 4.12Å; F315-H375 HydrophobicContact CZ-CB 3.35Å; F315-H375 AromaticContact CZ-CG 3.78Å; F315-H375 PolarHBondContact N-O 3.13Å; F315-H375 PolarHBondContact O-N 3.37Å
316V97.7Very high93.6Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-85118.9169.7-179.80000109.3S318 Y319 N347 P371 I378 A379 L380V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.02Å; V316-Y319 HydrophobicContact CG1-CD1 4.12Å; V316-N347 PolarHBondContact O-N 3.48Å; V316-P371 HydrophobicContact CG1-CB 4.02Å; V316-P371 HydrophobicContact CG2-CB 4.22Å; V316-P371 HydrophobicContact CG2-CG 4.27Å; V316-I378 HydrophobicContact CG2-CG2 4.09Å; V316-A379 PolarHBondContact N-O 2.86Å; V316-L380 HydrophobicContact CB-CD1 4.44Å; V316-L380 HydrophobicContact CG2-CB 4.4Å; V316-L380 HydrophobicContact CG2-CD1 4.37Å
317A96Very high93.5Very high38 Ų3841.9 Ų41.931%0.31423%0.225SC..EExtended strand (participates in β ladder)trans-89.5-26.2-177.400000112.8F315 G346 A373F315-A317 HydrophobicContact CD2-CB 4.29Å; F315-A317 HydrophobicContact CE2-CB 4.03Å; A317-G346 WeakPolarHBondContact O-CA 3.24Å; A317-G346 PolarHBondContact O-N 2.9Å; A317-A373 HydrophobicContact CB-CB 4.38Å; A317-A373 PolarHBondContact N-O 2.93Å
318S96.9Very high93.4Very high20 Ų2047.1 Ų47.114%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-154.5152.7167.366.70000111.5V316 F344 V372 A373V316-S318 VanDerWaalsContact CG1-O 3.25Å; V316-S318 WeakPolarHBondContact CG1-O 3.02Å; S318-F344 VanDerWaalsContact CA-O 3.27Å; S318-F344 WeakPolarHBondContact CA-O 3.4Å; S318-F344 WeakPolarHBondContact CB-O 3.33Å; S318-V372 PolarHBondContact O-N 3.5Å; S318-A373 PolarHBondContact N-O 3.01Å; S318-A373 VanDerWaalsContact N-O 3.1Å; S318-A373 PolarHBondContact O-N 2.8Å; S318-A373 VanDerWaalsContact O-N 3.17Å; S318-A373 WeakPolarHBondContact OG-CB 3.41Å; S318-A373 PolarHBondContact OG-N 3.32Å
319Y97.6Very high93.6Very high0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-150.6159.3-178.957.7-90000111.9I302 T304 V316 V321 F344 N356 V369 L370I302-Y319 HydrophobicContact CD1-CE2 4.37Å; I302-Y319 HydrophobicContact CG2-CE2 4.05Å; I302-Y319 VanDerWaalsContact CG2-OH 3.31Å; I302-Y319 WeakPolarHBondContact CG2-OH 3.41Å; T304-Y319 HydrophobicContact CG2-CE1 3.68Å; T304-Y319 WeakPolarHBondContact CG2-OH 3.45Å; V316-Y319 HydrophobicContact CG1-CD1 4.12Å; Y319-V321 HydrophobicContact CD2-CG2 4.06Å; Y319-V321 HydrophobicContact CE2-CG2 3.93Å; Y319-F344 HydrophobicContact CD2-CB 4.04Å; Y319-F344 HydrophobicContact CD2-CD2 4.24Å; Y319-F344 HydrophobicContact CE1-CB 4.25Å; Y319-F344 HydrophobicContact CE2-CB 3.66Å; Y319-F344 HydrophobicContact CE2-CD2 4.01Å; Y319-F344 HydrophobicContact CE2-CG 4.02Å; Y319-F344 HydrophobicContact CG-CB 4.48Å; Y319-F344 PolarHBondContact N-O 2.04Å; Y319-F344 VanDerWaalsContact N-O 3.12Å; Y319-F344 PolarHBondContact O-N 2.87Å; Y319-N356 PolarHBondContact OH-ND2 3.42Å; Y319-V369 HydrophobicContact CD2-CG1 3.87Å; Y319-V369 HydrophobicContact CG-CG1 3.91Å; Y319-L370 CarbonylContact C-O 3.6Å; Y319-L370 WeakPolarHBondContact CA-O 3.3Å; Y319-L370 WeakPolarHBondContact CB-O 3.4Å
320K97.6Very high94.3Very high49 Ų4947.5 Ų47.521%0.21327%0.265CS..EExtended strand (participates in β ladder)trans-99.6164.4160.4-60.1175.5174.6-173.20109.8E332 I343 L370 V372K320-E332 WeakPolarHBondContact CD-OE2 3.09Å; K320-E332 VanDerWaalsContact NZ-CD 3.26Å; K320-E332 IonicContact NZ-OE1 2.7Å; K320-E332 PolarHBondContact NZ-OE1 2.77Å; K320-E332 IonicContact NZ-OE2 2.7Å; K320-E332 PolarHBondContact NZ-OE2 3Å; K320-I343 HydrophobicContact CG-CG1 4.32Å; K320-L370 HydrophobicContact CB-CB 4.2Å; K320-L370 HydrophobicContact CB-CD1 4.45Å; K320-L370 PolarHBondContact N-O 3.12Å; K320-L370 PolarHBondContact O-N 2.62Å; K320-V372 HydrophobicContact CG-CG2 3.99Å
321V97.9Very high95Very high0 Ų043.9 Ų43.90%026%0.256CS..EExtended strand (participates in β ladder)trans-114.9136.9168.8177.50000108.2Y319 Y333 F344 F358 I362 V367 R368Y319-V321 HydrophobicContact CD2-CG2 4.06Å; Y319-V321 HydrophobicContact CE2-CG2 3.93Å; V321-Y333 PolarHBondContact O-N 3.02Å; V321-F344 HydrophobicContact CB-CE2 4.2Å; V321-F344 HydrophobicContact CG2-CD2 4Å; V321-F344 HydrophobicContact CG2-CE2 3.84Å; V321-F358 HydrophobicContact CB-CZ 4.43Å; V321-F358 HydrophobicContact CG1-CZ 4.09Å; V321-F358 HydrophobicContact CG2-CE1 4.01Å; V321-F358 HydrophobicContact CG2-CZ 4.02Å; V321-I362 HydrophobicContact CG1-CD1 4.19Å; V321-V367 HydrophobicContact CG1-CG1 3.95Å; V321-R368 WeakPolarHBondContact CA-O 3.35Å
322A97.6Very high95.8Very high4 Ų444.9 Ų44.93%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-125.6152.2168.800000109.9W330 T331 E332 R368 L370A322-W330 HydrophobicContact CB-CE3 4.17Å; A322-T331 CarbonylContact C-O 3.25Å; A322-T331 WeakPolarHBondContact CA-O 3.47Å; A322-E332 HydrophobicContact CB-CG 4.42Å; A322-R368 HydrophobicContact CB-CB 4.31Å; A322-R368 PolarHBondContact N-O 3.35Å; A322-R368 PolarHBondContact O-N 2.81Å; A322-L370 HydrophobicContact CB-CD1 3.87Å; A322-L370 HydrophobicContact CB-CG 4.38Å
323Y97.8Very high96.2Very high66 Ų6642.6 Ų42.626%0.25923%0.231SC..EExtended strand (participates in β ladder)trans-141.2157.5-174.263-86.1000112.4T331 I362 A364 Y366Y323-T331 VanDerWaalsContact CD1-O 3.24Å; Y323-T331 WeakPolarHBondContact CD1-O 3.48Å; Y323-T331 HydrophobicContact CE1-CG2 3.96Å; Y323-T331 HydrophobicContact CE2-CG2 4.42Å; Y323-T331 PolarHBondContact N-O 2.03Å; Y323-T331 PolarHBondContact O-N 2.9Å; Y323-I362 HydrophobicContact CD1-CD1 4.07Å; Y323-I362 HydrophobicContact CD1-CG2 3.67Å; Y323-I362 HydrophobicContact CD2-CG2 3.48Å; Y323-I362 VanDerWaalsContact CD2-CG2 3.48Å; Y323-I362 HydrophobicContact CE1-CG2 4.15Å; Y323-I362 HydrophobicContact CE2-CG2 3.97Å; Y323-I362 HydrophobicContact CG-CG2 3.3Å; Y323-A364 HydrophobicContact CD2-CB 4.2Å; Y323-A364 HydrophobicContact CG-CB 4.42Å; Y323-Y366 CarbonylContact C-O 3.5Å; Y323-Y366 VanDerWaalsContact CA-O 3.31Å; Y323-Y366 WeakPolarHBondContact CA-O 3.39Å
324S97.9Very high96.2Very high5 Ų545.8 Ų45.84%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-156.6155.4-174.8179.90000111.9D326 S327 N329 R365 Y366S324-D326 PolarHBondContact OG-N 2.84Å; S324-D326 PolarHBondContact OG-OD1 2.85Å; S324-S327 WeakPolarHBondContact OG-CA 3.11Å; S324-S327 PolarHBondContact OG-N 2.88Å; S324-N329 WeakPolarHBondContact CB-O 3.49Å; S324-N329 PolarHBondContact OG-O 2.84Å; S324-R365 PolarHBondContact O-N 3.27Å; S324-Y366 PolarHBondContact N-O 2.88Å; S324-Y366 PolarHBondContact O-N 3.03Å
325N96.7Very high95.9Very high98 Ų9846.3 Ų46.352%0.52425%0.247SC..SBendtrans-105.3-18.8170.9-73.5-24.7000113.3L296 A364 R365L296-N325 VanDerWaalsContact CD1-OD1 3.26Å; L296-N325 WeakPolarHBondContact CD1-OD1 3.1Å; N325-A364 VanDerWaalsContact OD1-CA 3.3Å; N325-A364 WeakPolarHBondContact OD1-CA 3.11Å; N325-R365 PolarHBondContact OD1-N 2.93Å
326D93.8Very high95.1Very high73 Ų7349.1 Ų49.139%0.3927%0.267SS..SBendtrans-116.3-5.8-175.760.815.9000113.5S324 V328 N329S324-D326 PolarHBondContact OG-N 2.84Å; S324-D326 PolarHBondContact OG-OD1 2.85Å; D326-V328 PolarHBondContact O-N 2.8Å; D326-V328 PolarHBondContact OD1-N 2.77Å; D326-N329 PolarHBondContact OD1-N 3.49Å; D326-N329 PolarHBondContact OD2-ND2 2.82Å
327S92.7Very high94.3Very high44 Ų4457.6 Ų57.631%0.30830%0.299SS..SBendtrans651.8-171.474.50000116.2S324 W330S324-S327 WeakPolarHBondContact OG-CA 3.11Å; S324-S327 PolarHBondContact OG-N 2.88Å; S327-W330 PolarHBondContact O-NE1 3.23Å
328V93.3Very high93.9Very high110 Ų11060.2 Ų60.267%0.66731%0.311SS*.SBendtrans-105.3-51.2-177.8179.20000110.6D326 W330D326-V328 PolarHBondContact O-N 2.8Å; D326-V328 PolarHBondContact OD1-N 2.77Å; V328-W330 VanDerWaalsContact O-CD1 3.25Å
329N96.1Very high93.4Very high109 Ų10961.4 Ų61.458%0.58333%0.326SS*.SBendtrans-94124.9178.7-64-62.8000109.4S324 D326S324-N329 WeakPolarHBondContact CB-O 3.49Å; S324-N329 PolarHBondContact OG-O 2.84Å; D326-N329 PolarHBondContact OD1-N 3.49Å; D326-N329 PolarHBondContact OD2-ND2 2.82Å
330W96.8Very high93Very high63 Ų6364.5 Ų64.524%0.23935%0.348CS..  trans-121.7127.9-173.4-69.687.3000111.4Q290 A322 S327 V328 R368Q290-W330 HydrophobicContact CG-CH2 4.04Å; A322-W330 HydrophobicContact CB-CE3 4.17Å; S327-W330 PolarHBondContact O-NE1 3.23Å; V328-W330 VanDerWaalsContact O-CD1 3.25Å; W330-R368 HydrophobicContact CE3-CB 4.18Å; W330-R368 HydrophobicContact CE3-CG 4.13Å; W330-R368 HydrophobicContact CH2-CB 4.26Å; W330-R368 HydrophobicContact CH2-CG 3.55Å; W330-R368 HydrophobicContact CZ2-CG 4.2Å; W330-R368 VanDerWaalsContact CZ2-CZ 3.42Å; W330-R368 VanDerWaalsContact CZ2-NE 3.3Å; W330-R368 HydrophobicContact CZ3-CB 3.72Å; W330-R368 HydrophobicContact CZ3-CG 3.52Å
331T96.6Very high92.8Very high73 Ų7364 Ų6445%0.44835%0.351SS..EExtended strand (participates in β ladder)trans-105.6126.6174-55.50000108.8A322 Y323A322-T331 CarbonylContact C-O 3.25Å; A322-T331 WeakPolarHBondContact CA-O 3.47Å; Y323-T331 VanDerWaalsContact CD1-O 3.24Å; Y323-T331 WeakPolarHBondContact CD1-O 3.48Å; Y323-T331 HydrophobicContact CE1-CG2 3.96Å; Y323-T331 HydrophobicContact CE2-CG2 4.42Å; Y323-T331 PolarHBondContact N-O 2.03Å; Y323-T331 PolarHBondContact O-N 2.9Å
332E96.7Very high92.6Very high62 Ų6266.1 Ų66.129%0.2936%0.36SS..EExtended strand (participates in β ladder)trans-73.9138.5169.5-69.1-168.2166.900110.1K320 A322 Q334 S341K320-E332 WeakPolarHBondContact CD-OE2 3.09Å; K320-E332 VanDerWaalsContact NZ-CD 3.26Å; K320-E332 IonicContact NZ-OE1 2.7Å; K320-E332 PolarHBondContact NZ-OE1 2.77Å; K320-E332 IonicContact NZ-OE2 2.7Å; K320-E332 PolarHBondContact NZ-OE2 3Å; A322-E332 HydrophobicContact CB-CG 4.42Å; E332-Q334 PolarHBondContact O-N 3.43Å; E332-S341 WeakPolarHBondContact OE2-CB 3.4Å; E332-S341 PolarHBondContact OE2-OG 2.89Å
333Y96.4Very high92.5Very high13 Ų1370.4 Ų70.45%0.05138%0.381CS..PPolyproline II helixtrans-66.5124173.9-177.8-98.3000110.4V321 K342 F344 F358 E359 T360 I362V321-Y333 PolarHBondContact O-N 3.02Å; Y333-K342 HydrophobicContact CD1-CB 3.71Å; Y333-K342 HydrophobicContact CD1-CG 4.26Å; Y333-K342 HydrophobicContact CE1-CB 4.1Å; Y333-K342 HydrophobicContact CE1-CG 4.26Å; Y333-K342 PolarHBondContact O-N 2.73Å; Y333-F344 AromaticContact CD1-CE2 3.82Å; Y333-F344 HydrophobicContact CD1-CE2 3.82Å; Y333-F344 AromaticContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CD1-CZ 3.5Å; Y333-F344 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CE1-CE2 4.44Å; Y333-F344 AromaticContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CG-CZ 4.48Å; Y333-F358 HydrophobicContact CE2-CB 4.14Å; Y333-E359 PolarHBondContact OH-N 2.82Å; Y333-E359 VanDerWaalsContact OH-N 3.08Å; Y333-T360 WeakPolarHBondContact CE2-O 3.4Å; Y333-T360 PolarHBondContact OH-N 2.78Å; Y333-T360 VanDerWaalsContact OH-N 3.11Å; Y333-I362 HydrophobicContact CD2-CD1 3.54Å; Y333-I362 HydrophobicContact CD2-CG1 3.75Å; Y333-I362 HydrophobicContact CE2-CD1 4.26Å; Y333-I362 HydrophobicContact CE2-CG1 4.07Å; Y333-I362 HydrophobicContact CG-CD1 4.1Å
334Q93.5Very high92.4Very high106 Ų10667.7 Ų67.750%0.49537%0.371SS..BIsolated β-bridgetrans-100.7150.7-178.2-65.2-173.3-1500111.5E332 P336 G339 S340E332-Q334 PolarHBondContact O-N 3.43Å; Q334-P336 WeakPolarHBondContact O-CD 3.29Å; Q334-G339 VanDerWaalsContact CD-O 3.31Å; Q334-G339 PolarHBondContact OE1-O 2.65Å; Q334-S340 WeakPolarHBondContact CA-O 3.42Å
335D86.9Confident92.2Very high22 Ų2271 Ų7112%0.11839%0.392CS..PPolyproline II helixtrans-72.7119.8169.7-170.8-50.3000109.5R337 T338 G339 S340 K342D335-R337 PolarHBondContact O-N 3.01Å; D335-R337 VanDerWaalsContact OD1-CB 3.3Å; D335-R337 WeakPolarHBondContact OD1-CB 3.45Å; D335-R337 WeakPolarHBondContact OD1-CG 3.06Å; D335-R337 PolarHBondContact OD1-N 2.9Å; D335-T338 WeakPolarHBondContact CB-OG1 3.48Å; D335-T338 PolarHBondContact O-N 3.21Å; D335-G339 PolarHBondContact O-N 2.85Å; D335-S340 PolarHBondContact N-O 2.87Å; D335-K342 HydrophobicContact CB-CD 3.67Å; D335-K342 WeakPolarHBondContact OD2-CD 3.24Å; D335-K342 WeakPolarHBondContact OD2-CE 3.34Å; D335-K342 IonicContact OD2-NZ 2.99Å; D335-K342 PolarHBondContact OD2-NZ 2.96Å
336P80.6Confident92.1Very high76 Ų7666.7 Ų66.749%0.49437%0.372SS..THydrogen-bonded Turntrans-59.7-18.1-177.5-25.535.3000114.6Q334 E359Q334-P336 WeakPolarHBondContact O-CD 3.29Å; P336-E359 HydrophobicContact CG-CB 4.2Å
337R81.8Confident92.2Very high179 Ų17963.5 Ų63.568%0.67535%0.354SS*.THydrogen-bonded Turntrans-93-22.8-175.4-47.2176.5-160.2-162.12.2112.8D335 E359D335-R337 PolarHBondContact O-N 3.01Å; D335-R337 VanDerWaalsContact OD1-CB 3.3Å; D335-R337 WeakPolarHBondContact OD1-CB 3.45Å; D335-R337 WeakPolarHBondContact OD1-CG 3.06Å; D335-R337 PolarHBondContact OD1-N 2.9Å; R337-E359 IonicContact CZ-OE2 3.81Å; R337-E359 VanDerWaalsContact CZ-OE2 3.28Å; R337-E359 IonicContact NE-OE2 2.68Å; R337-E359 PolarHBondContact NE-OE2 3.07Å; R337-E359 IonicContact NH2-OE1 2.68Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.57Å
338T86.4Confident92.2Very high92 Ų9270.2 Ų70.256%0.56437%0.373SS*.THydrogen-bonded Turntrans-122.7-16.2-175.469.50000114D335 S340D335-T338 WeakPolarHBondContact CB-OG1 3.48Å; D335-T338 PolarHBondContact O-N 3.21Å; T338-S340 PolarHBondContact O-N 2.88Å; T338-S340 PolarHBondContact OG1-N 2.76Å; T338-S340 PolarHBondContact OG1-OG 3.39Å
339G86.1Confident92.1Very high45 Ų4566.3 Ų66.346%0.46435%0.348SS..  trans67.86.9-174.100000114.4Q334 D335Q334-G339 VanDerWaalsContact CD-O 3.31Å; Q334-G339 PolarHBondContact OE1-O 2.65Å; D335-G339 PolarHBondContact O-N 2.85Å
340S90.5Very high91.9Very high66 Ų6663.1 Ų63.146%0.46233%0.331SS..SBendtrans-95.9153.1177.566.90000111.3Q334 D335 T338 K342Q334-S340 WeakPolarHBondContact CA-O 3.42Å; D335-S340 PolarHBondContact N-O 2.87Å; T338-S340 PolarHBondContact O-N 2.88Å; T338-S340 PolarHBondContact OG1-N 2.76Å; T338-S340 PolarHBondContact OG1-OG 3.39Å; S340-K342 PolarHBondContact O-N 2.85Å
341S92.6Very high91.5Very high39 Ų3965.6 Ų65.627%0.27335%0.345SS..BIsolated β-bridgetrans-52.7120.9174.4-49.40000112.4E332 I343E332-S341 WeakPolarHBondContact OE2-CB 3.4Å; E332-S341 PolarHBondContact OE2-OG 2.89Å; S341-I343 PolarHBondContact O-N 3.18Å
342K94.2Very high91.1Very high43 Ų4364.2 Ų64.219%0.18734%0.338CS..PPolyproline II helixtrans-70.1126.9-178.1-168.681.7175.4-163.30110Y333 D335 S340 F344 E359Y333-K342 HydrophobicContact CD1-CB 3.71Å; Y333-K342 HydrophobicContact CD1-CG 4.26Å; Y333-K342 HydrophobicContact CE1-CB 4.1Å; Y333-K342 HydrophobicContact CE1-CG 4.26Å; Y333-K342 PolarHBondContact O-N 2.73Å; D335-K342 HydrophobicContact CB-CD 3.67Å; D335-K342 WeakPolarHBondContact OD2-CD 3.24Å; D335-K342 WeakPolarHBondContact OD2-CE 3.34Å; D335-K342 IonicContact OD2-NZ 2.99Å; D335-K342 PolarHBondContact OD2-NZ 2.96Å; S340-K342 PolarHBondContact O-N 2.85Å; K342-F344 HydrophobicContact CB-CE2 4.06Å; K342-F344 HydrophobicContact CB-CZ 4.19Å; K342-F344 HydrophobicContact CG-CD1 4.33Å; K342-F344 HydrophobicContact CG-CD2 4.33Å; K342-F344 HydrophobicContact CG-CE1 3.94Å; K342-F344 HydrophobicContact CG-CE2 3.93Å; K342-F344 HydrophobicContact CG-CZ 3.72Å; K342-E359 IonicContact NZ-OE1 2.71Å; K342-E359 PolarHBondContact NZ-OE1 2.96Å
343I95.4Very high90.9Very high95 Ų9564.4 Ų64.449%0.48734%0.339SS..PPolyproline II helixtrans-97.4118.4167.2-60174.1000107.6K320 S341K320-I343 HydrophobicContact CG-CG1 4.32Å; S341-I343 PolarHBondContact O-N 3.18Å
344F95Very high90.6Very high8 Ų865.3 Ų65.34%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-88.9136.1176.8-65.9-82.6000110.8S318 Y319 V321 Y333 K342 G346 N356 F358S318-F344 VanDerWaalsContact CA-O 3.27Å; S318-F344 WeakPolarHBondContact CA-O 3.4Å; S318-F344 WeakPolarHBondContact CB-O 3.33Å; Y319-F344 HydrophobicContact CD2-CB 4.04Å; Y319-F344 HydrophobicContact CD2-CD2 4.24Å; Y319-F344 HydrophobicContact CE1-CB 4.25Å; Y319-F344 HydrophobicContact CE2-CB 3.66Å; Y319-F344 HydrophobicContact CE2-CD2 4.01Å; Y319-F344 HydrophobicContact CE2-CG 4.02Å; Y319-F344 HydrophobicContact CG-CB 4.48Å; Y319-F344 PolarHBondContact N-O 2.04Å; Y319-F344 VanDerWaalsContact N-O 3.12Å; Y319-F344 PolarHBondContact O-N 2.87Å; V321-F344 HydrophobicContact CB-CE2 4.2Å; V321-F344 HydrophobicContact CG2-CD2 4Å; V321-F344 HydrophobicContact CG2-CE2 3.84Å; Y333-F344 AromaticContact CD1-CE2 3.82Å; Y333-F344 HydrophobicContact CD1-CE2 3.82Å; Y333-F344 AromaticContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CD1-CZ 3.5Å; Y333-F344 VanDerWaalsContact CD1-CZ 3.5Å; Y333-F344 HydrophobicContact CE1-CE2 4.44Å; Y333-F344 AromaticContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CE1-CZ 3.67Å; Y333-F344 HydrophobicContact CG-CZ 4.48Å; K342-F344 HydrophobicContact CB-CE2 4.06Å; K342-F344 HydrophobicContact CB-CZ 4.19Å; K342-F344 HydrophobicContact CG-CD1 4.33Å; K342-F344 HydrophobicContact CG-CD2 4.33Å; K342-F344 HydrophobicContact CG-CE1 3.94Å; K342-F344 HydrophobicContact CG-CE2 3.93Å; K342-F344 HydrophobicContact CG-CZ 3.72Å; F344-G346 PolarHBondContact O-N 2.9Å; F344-N356 HydrophobicContact CD1-CB 3.86Å; F344-F358 AromaticContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CE1 4.06Å; F344-F358 HydrophobicContact CE2-CD1 4.31Å; F344-F358 HydrophobicContact CE2-CE1 4.02Å; F344-F358 AromaticContact CZ-CD1 3.44Å; F344-F358 HydrophobicContact CZ-CD1 3.44Å; F344-F358 VanDerWaalsContact CZ-CD1 3.44Å; F344-F358 AromaticContact CZ-CE1 3.57Å; F344-F358 HydrophobicContact CZ-CE1 3.57Å
345P94.8Very high90.5Very high74 Ų7462.6 Ų62.648%0.48133%0.33SS..EExtended strand (participates in β ladder)trans-72122.1171.129.8-32.5000109.6K354 N356P345-K354 WeakPolarHBondContact O-CE 3.16Å; P345-K354 WeakPolarHBondContact O-CG 3.43Å; P345-N356 PolarHBondContact O-ND2 3.46Å
346G94.6Very high90.7Very high9 Ų962.3 Ų62.39%0.09333%0.328CS..  trans-88-149.7179.900000113.3A317 F344 K354A317-G346 WeakPolarHBondContact O-CA 3.24Å; A317-G346 PolarHBondContact O-N 2.9Å; F344-G346 PolarHBondContact O-N 2.9Å; G346-K354 WeakPolarHBondContact O-CG 3.33Å
347N95.6Very high90.9Very high6 Ų660.4 Ų60.43%0.03231%0.314CS..  trans-76.1160-179.5-60.4100000112T304 Q305 F315 V316 S352T304-N347 VanDerWaalsContact C-OD1 3.29Å; T304-N347 WeakPolarHBondContact CB-OD1 3.46Å; T304-N347 PolarHBondContact O-ND2 2.03Å; Q305-N347 WeakPolarHBondContact CA-ND2 3.05Å; Q305-N347 WeakPolarHBondContact CA-OD1 3.21Å; Q305-N347 PolarHBondContact N-OD1 3.16Å; F315-N347 HydrophobicContact CB-CB 4.08Å; F315-N347 HydrophobicContact CD2-CB 4.18Å; F315-N347 WeakPolarHBondContact CD2-O 3.29Å; F315-N347 WeakPolarHBondContact CE2-O 3.41Å; F315-N347 HydrophobicContact CG-CB 4.33Å; V316-N347 PolarHBondContact O-N 3.48Å; N347-S352 PolarHBondContact ND2-O 3.15Å
348W91.9Very high91.3Very high185 Ų18552.2 Ų52.270%0.70128%0.283SS*.SBendtrans-116.1-6171.263.2-87.1000112.5F315F315-W348 WeakPolarHBondContact CE1-O 3.4Å; F315-W348 VanDerWaalsContact CZ-C 3.41Å; F315-W348 VanDerWaalsContact CZ-O 3.22Å; F315-W348 WeakPolarHBondContact CZ-O 3.3Å
349D91.4Very high91.1Very high27 Ų2751.7 Ų51.714%0.14427%0.274CS..SBendtrans-144.7-171.7178.875.77.1000111.6F315 H351 S352F315-D349 WeakPolarHBondContact CB-O 3.35Å; F315-D349 WeakPolarHBondContact CD1-O 3.47Å; F315-D349 WeakPolarHBondContact CG-O 3.41Å; D349-H351 PolarHBondContact OD1-N 2.82Å; D349-S352 WeakPolarHBondContact OD1-CB 3.35Å; D349-S352 PolarHBondContact OD1-N 2.98Å; D349-S352 VanDerWaalsContact OD2-CB 3.28Å; D349-S352 WeakPolarHBondContact OD2-CB 3.44Å; D349-S352 PolarHBondContact OD2-N 2.76Å; D349-S352 PolarHBondContact OD2-OG 2.89Å
350N91.2Very high91.1Very high42 Ų4252.9 Ų52.923%0.22527%0.273CS..SBendtrans-91.3-2.1176.966.6-82.2000116G306 A307 R308 V313 R381G306-N350 CarbonylContact C-O 3.5Å; A307-N350 WeakPolarHBondContact O-CB 3Å; R308-N350 HydrophobicContact CB-CB 4.3Å; V313-N350 HydrophobicContact CG1-CB 4.07Å; V313-N350 HydrophobicContact CG2-CB 4.24Å; V313-N350 WeakPolarHBondContact CG2-OD1 3.41Å; N350-R381 PolarHBondContact O-NH2 2.94Å
351H88.7Confident91.1Very high116 Ų11652.6 Ų52.654%0.53727%0.27SS..SBendtrans-138.4-41.6-164.9-175.438.8000114.7Q305 D349 H353Q305-H351 WeakPolarHBondContact CG-O 3.01Å; Q305-H351 PolarHBondContact NE2-O 2.85Å; D349-H351 PolarHBondContact OD1-N 2.82Å; H351-H353 PolarHBondContact O-N 3.01Å
352S88.2Confident91.2Very high43 Ų4351 Ų5130%0.30126%0.258SS..SBendtrans-59.3132.9175.9-61.30000110.4N347 D349N347-S352 PolarHBondContact ND2-O 3.15Å; D349-S352 WeakPolarHBondContact OD1-CB 3.35Å; D349-S352 PolarHBondContact OD1-N 2.98Å; D349-S352 VanDerWaalsContact OD2-CB 3.28Å; D349-S352 WeakPolarHBondContact OD2-CB 3.44Å; D349-S352 PolarHBondContact OD2-N 2.76Å; D349-S352 PolarHBondContact OD2-OG 2.89Å
353H92.4Very high91.2Very high67 Ų6754.1 Ų54.131%0.3128%0.276SS..  trans-73.3141.2172.6-63.8171.2000110.1D270 I303 Q305 H351D270-H353 VanDerWaalsContact CG-NE2 3.33Å; D270-H353 IonicContact OD1-CD2 3.78Å; D270-H353 IonicContact OD1-CE1 2.87Å; D270-H353 IonicContact OD1-NE2 2.77Å; D270-H353 PolarHBondContact OD1-NE2 2.85Å; D270-H353 IonicContact OD2-CE1 3.33Å; D270-H353 PolarHBondContact OD2-CE1 3.24Å; D270-H353 IonicContact OD2-NE2 3.49Å; D270-H353 PolarHBondContact OD2-NE2 3.24Å; I303-H353 HydrophobicContact CG2-CB 3.82Å; Q305-H353 PolarHBondContact NE2-CD2 3.26Å; Q305-H353 PolarHBondContact NE2-NE2 3.09Å; H351-H353 PolarHBondContact O-N 3.01Å
354K91.3Very high91.2Very high31 Ų3149.6 Ų49.614%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-118.6106.6166.5-179.862.6175.6167.40109G79 I303 T304 P345 G346G79-K354 PolarHBondContact O-NZ 3.49Å; I303-K354 WeakPolarHBondContact CA-O 3.17Å; T304-K354 PolarHBondContact N-O 3.15Å; T304-K354 PolarHBondContact O-N 3.42Å; T304-K354 PolarHBondContact OG1-O 2.98Å; P345-K354 WeakPolarHBondContact O-CE 3.16Å; P345-K354 WeakPolarHBondContact O-CG 3.43Å; G346-K354 WeakPolarHBondContact O-CG 3.33Å
355K90.4Very high91.3Very high50 Ų5053 Ų5322%0.21727%0.265CS..EExtended strand (participates in β ladder)trans-83.5120.2172.4-167.6179.8-168.6-160.90107.5N80 E226 I303 L357 L385N80-K355 HydrophobicContact CB-CB 4.48Å; N80-K355 PolarHBondContact OD1-N 3.22Å; E226-K355 IonicContact OE1-NZ 3.77Å; E226-K355 IonicContact OE2-NZ 3.8Å; E226-K355 PolarHBondContact OE2-NZ 3.42Å; I303-K355 HydrophobicContact CG1-CB 4.22Å; I303-K355 HydrophobicContact CG1-CG 4Å; K355-L357 HydrophobicContact CD-CD1 3.93Å; K355-L357 HydrophobicContact CD-CG 4.4Å; K355-L357 HydrophobicContact CG-CD1 4.15Å; K355-L357 HydrophobicContact CG-CG 4.14Å; K355-L385 HydrophobicContact CD-CD1 4.21Å; K355-L385 HydrophobicContact CG-CD1 4.11Å
356N90.9Very high91.5Very high15 Ų1551 Ų518%0.0825%0.248CC..EExtended strand (participates in β ladder)trans-115.7133.5165.4-71.3-55.1000108G301 I302 Y319 F344 P345G301-N356 WeakPolarHBondContact CA-O 3.4Å; I302-N356 HydrophobicContact CG2-CB 4.32Å; I302-N356 PolarHBondContact N-O 2.78Å; I302-N356 PolarHBondContact O-N 3.21Å; I302-N356 VanDerWaalsContact O-O 3.07Å; Y319-N356 PolarHBondContact OH-ND2 3.42Å; F344-N356 HydrophobicContact CD1-CB 3.86Å; P345-N356 PolarHBondContact O-ND2 3.46Å
357L86.4Confident91.7Very high36 Ų3650.7 Ų50.719%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-118142.7-178.2-69.8157.4000108.2R134 F231 K355 L385R134-L357 VanDerWaalsContact CZ-CD1 3.46Å; F231-L357 HydrophobicContact CD1-CD2 3.76Å; F231-L357 HydrophobicContact CE1-CD2 4.02Å; K355-L357 HydrophobicContact CD-CD1 3.93Å; K355-L357 HydrophobicContact CD-CG 4.4Å; K355-L357 HydrophobicContact CG-CD1 4.15Å; K355-L357 HydrophobicContact CG-CG 4.14Å; L357-L385 HydrophobicContact CD2-CD1 3.92Å
358F88.9Confident91.8Very high8 Ų852.6 Ų52.64%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-81.1136.5-178-52.3-35.1000109.2V299 T300 I302 V321 Y333 F344 T360 I362V299-F358 HydrophobicContact CG1-CE2 4Å; V299-F358 WeakPolarHBondContact O-CD2 2.98Å; T300-F358 PolarHBondContact O-N 2.79Å; I302-F358 HydrophobicContact CG2-CE1 4.04Å; I302-F358 HydrophobicContact CG2-CZ 4.04Å; V321-F358 HydrophobicContact CB-CZ 4.43Å; V321-F358 HydrophobicContact CG1-CZ 4.09Å; V321-F358 HydrophobicContact CG2-CE1 4.01Å; V321-F358 HydrophobicContact CG2-CZ 4.02Å; Y333-F358 HydrophobicContact CE2-CB 4.14Å; F344-F358 AromaticContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CD1 3.81Å; F344-F358 HydrophobicContact CE1-CE1 4.06Å; F344-F358 HydrophobicContact CE2-CD1 4.31Å; F344-F358 HydrophobicContact CE2-CE1 4.02Å; F344-F358 AromaticContact CZ-CD1 3.44Å; F344-F358 HydrophobicContact CZ-CD1 3.44Å; F344-F358 VanDerWaalsContact CZ-CD1 3.44Å; F344-F358 AromaticContact CZ-CE1 3.57Å; F344-F358 HydrophobicContact CZ-CE1 3.57Å; F358-T360 WeakPolarHBondContact CB-O 3.05Å; F358-T360 PolarHBondContact O-N 3.4Å; F358-I362 HydrophobicContact CD2-CD1 3.57Å; F358-I362 HydrophobicContact CD2-CG1 3.76Å; F358-I362 HydrophobicContact CE2-CD1 3.51Å; F358-I362 HydrophobicContact CE2-CG1 4.13Å; F358-I362 HydrophobicContact CG-CD1 4.23Å; F358-I362 HydrophobicContact CG-CG1 4.45Å; F358-I362 HydrophobicContact CZ-CD1 4.12Å
359E83.5Confident92.1Very high80 Ų8044 Ų4437%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-70.3-18.5176.7-66.5178.5-126.700111.3Y333 P336 R337 K342Y333-E359 PolarHBondContact OH-N 2.82Å; Y333-E359 VanDerWaalsContact OH-N 3.08Å; P336-E359 HydrophobicContact CG-CB 4.2Å; R337-E359 IonicContact CZ-OE2 3.81Å; R337-E359 VanDerWaalsContact CZ-OE2 3.28Å; R337-E359 IonicContact NE-OE2 2.68Å; R337-E359 PolarHBondContact NE-OE2 3.07Å; R337-E359 IonicContact NH2-OE1 2.68Å; R337-E359 IonicContact NH2-OE2 3.68Å; R337-E359 PolarHBondContact NH2-OE2 2.57Å; K342-E359 IonicContact NZ-OE1 2.71Å; K342-E359 PolarHBondContact NZ-OE1 2.96Å
360T85.3Confident92.4Very high71 Ų7144.2 Ų44.244%0.43622%0.22SC..EExtended strand (participates in β ladder)trans-137.4123.8173.7-49.80000106.9Y333 F358Y333-T360 WeakPolarHBondContact CE2-O 3.4Å; Y333-T360 PolarHBondContact OH-N 2.78Å; Y333-T360 VanDerWaalsContact OH-N 3.11Å; F358-T360 WeakPolarHBondContact CB-O 3.05Å; F358-T360 PolarHBondContact O-N 3.4Å
361P90Very high92.7Very high60 Ų6042.3 Ų42.339%0.3921%0.211SC..EExtended strand (participates in β ladder)trans-58.7149.9176.9-25.635.4000112.8E298 T300E298-P361 HydrophobicContact CG-CB 3.6Å; E298-P361 WeakPolarHBondContact OE1-CB 3.34Å; E298-P361 VanDerWaalsContact OE1-CG 3.22Å; E298-P361 WeakPolarHBondContact OE1-CG 3.33Å; T300-P361 HydrophobicContact CG2-CB 4.1Å; T300-P361 HydrophobicContact CG2-CG 4.16Å
362I94Very high93.1Very high4 Ų439.2 Ų39.22%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-106.5113.5-178.4-56.9-180000108.8V299 V321 Y323 Y333 F358 A364V299-I362 HydrophobicContact CB-CB 4.4Å; V299-I362 PolarHBondContact N-O 2.81Å; V299-I362 PolarHBondContact O-N 3.08Å; V321-I362 HydrophobicContact CG1-CD1 4.19Å; Y323-I362 HydrophobicContact CD1-CD1 4.07Å; Y323-I362 HydrophobicContact CD1-CG2 3.67Å; Y323-I362 HydrophobicContact CD2-CG2 3.48Å; Y323-I362 VanDerWaalsContact CD2-CG2 3.48Å; Y323-I362 HydrophobicContact CE1-CG2 4.15Å; Y323-I362 HydrophobicContact CE2-CG2 3.97Å; Y323-I362 HydrophobicContact CG-CG2 3.3Å; Y333-I362 HydrophobicContact CD2-CD1 3.54Å; Y333-I362 HydrophobicContact CD2-CG1 3.75Å; Y333-I362 HydrophobicContact CE2-CD1 4.26Å; Y333-I362 HydrophobicContact CE2-CG1 4.07Å; Y333-I362 HydrophobicContact CG-CD1 4.1Å; F358-I362 HydrophobicContact CD2-CD1 3.57Å; F358-I362 HydrophobicContact CD2-CG1 3.76Å; F358-I362 HydrophobicContact CE2-CD1 3.51Å; F358-I362 HydrophobicContact CE2-CG1 4.13Å; F358-I362 HydrophobicContact CG-CD1 4.23Å; F358-I362 HydrophobicContact CG-CG1 4.45Å; F358-I362 HydrophobicContact CZ-CD1 4.12Å; I362-A364 HydrophobicContact CG2-CB 3.8Å; I362-A364 PolarHBondContact O-N 3.01Å
363L95Very high93.5Very high109 Ų10939.1 Ų39.157%0.57120%0.201SC*.EExtended strand (participates in β ladder)trans-81.7102.1168.8-70.5170.6000109.6K297 E298K297-L363 WeakPolarHBondContact O-CA 3.47Å; E298-L363 HydrophobicContact CB-CD2 3.75Å; E298-L363 HydrophobicContact CG-CD2 4.27Å
364A96.2Very high93.7Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-147.5154.5-175.200000113.2K297 Y323 N325 I362K297-A364 PolarHBondContact N-O 3.43Å; K297-A364 PolarHBondContact O-N 3.49Å; K297-A364 VanDerWaalsContact O-O 3.09Å; Y323-A364 HydrophobicContact CD2-CB 4.2Å; Y323-A364 HydrophobicContact CG-CB 4.42Å; N325-A364 VanDerWaalsContact OD1-CA 3.3Å; N325-A364 WeakPolarHBondContact OD1-CA 3.11Å; I362-A364 HydrophobicContact CG2-CB 3.8Å; I362-A364 PolarHBondContact O-N 3.01Å
365R97.4Very high93.9Very high81 Ų8141.3 Ų41.331%0.30621%0.209SC..EExtended strand (participates in β ladder)trans-94.8-36.9164.3174.8173.5168.6178.8-2.6112.1D292 L293 G294 S295 S324 N325D292-R365 WeakPolarHBondContact OD1-CG 3.06Å; D292-R365 IonicContact OD1-CZ 3.83Å; D292-R365 IonicContact OD1-NE 3.67Å; D292-R365 PolarHBondContact OD1-NE 3.06Å; D292-R365 IonicContact OD1-NH2 2.67Å; D292-R365 PolarHBondContact OD1-NH2 3.41Å; D292-R365 IonicContact OD2-CZ 3.33Å; D292-R365 IonicContact OD2-NE 3.88Å; D292-R365 IonicContact OD2-NH2 2.76Å; D292-R365 PolarHBondContact OD2-NH2 2.79Å; L293-R365 VanDerWaalsContact CB-O 3.31Å; L293-R365 WeakPolarHBondContact CB-O 3.43Å; L293-R365 WeakPolarHBondContact CG-O 3.4Å; L293-R365 PolarHBondContact N-O 2.99Å; G294-R365 VanDerWaalsContact O-CZ 3.32Å; G294-R365 PolarHBondContact O-NE 3.15Å; S295-R365 WeakPolarHBondContact O-CA 3.21Å; S295-R365 WeakPolarHBondContact O-CG 3.36Å; S324-R365 PolarHBondContact O-N 3.27Å; N325-R365 PolarHBondContact OD1-N 2.93Å
366Y98.3Very high94Very high31 Ų3143.3 Ų43.312%0.12222%0.222CC..EExtended strand (participates in β ladder)trans-115.9131.4-177.8-56.4-87.6000110.3V291 D292 Y323 S324V291-Y366 WeakPolarHBondContact O-CA 3.1Å; D292-Y366 HydrophobicContact CB-CD1 3.69Å; D292-Y366 HydrophobicContact CB-CE1 3.57Å; D292-Y366 WeakPolarHBondContact OD1-CE1 3.47Å; Y323-Y366 CarbonylContact C-O 3.5Å; Y323-Y366 VanDerWaalsContact CA-O 3.31Å; Y323-Y366 WeakPolarHBondContact CA-O 3.39Å; S324-Y366 PolarHBondContact N-O 2.88Å; S324-Y366 PolarHBondContact O-N 3.03Å
367V98.3Very high94.1Very high3 Ų344.7 Ų44.72%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-121.3133.4176.8-177.90000109.1Q290 V291 L293 V299 V321 L384Q290-V367 CarbonylContact C-O 3.53Å; Q290-V367 VanDerWaalsContact CA-O 3.3Å; Q290-V367 WeakPolarHBondContact CA-O 3.17Å; V291-V367 PolarHBondContact N-O 2.79Å; V291-V367 PolarHBondContact O-N 2.83Å; L293-V367 HydrophobicContact CD1-CG2 4.17Å; V299-V367 HydrophobicContact CG2-CG2 4Å; V321-V367 HydrophobicContact CG1-CG1 3.95Å; V367-L384 HydrophobicContact CB-CD1 4.02Å; V367-L384 HydrophobicContact CG1-CD1 4.3Å; V367-L384 HydrophobicContact CG1-CD2 4.18Å; V367-L384 HydrophobicContact CG2-CD1 4.21Å
368R98Very high94.6Very high45 Ų4543 Ų4317%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-115.2133.7172.7-89.7177.7-173.51717.1110.9W288 L289 Q290 V321 A322 W330 L370W288-R368 HydrophobicContact CB-CG 4.43Å; W288-R368 HydrophobicContact CE3-CG 4.28Å; L289-R368 CarbonylContact O-C 3.57Å; L289-R368 VanDerWaalsContact O-CA 3.27Å; L289-R368 WeakPolarHBondContact O-CA 3.43Å; Q290-R368 HydrophobicContact CB-CG 3.75Å; Q290-R368 HydrophobicContact CG-CG 4.11Å; Q290-R368 VanDerWaalsContact OE1-CZ 3.27Å; V321-R368 WeakPolarHBondContact CA-O 3.35Å; A322-R368 HydrophobicContact CB-CB 4.31Å; A322-R368 PolarHBondContact N-O 3.35Å; A322-R368 PolarHBondContact O-N 2.81Å; W330-R368 HydrophobicContact CE3-CB 4.18Å; W330-R368 HydrophobicContact CE3-CG 4.13Å; W330-R368 HydrophobicContact CH2-CB 4.26Å; W330-R368 HydrophobicContact CH2-CG 3.55Å; W330-R368 HydrophobicContact CZ2-CG 4.2Å; W330-R368 VanDerWaalsContact CZ2-CZ 3.42Å; W330-R368 VanDerWaalsContact CZ2-NE 3.3Å; W330-R368 HydrophobicContact CZ3-CB 3.72Å; W330-R368 HydrophobicContact CZ3-CG 3.52Å; R368-L370 HydrophobicContact CB-CD2 4.12Å
369V98.2Very high95Very high4 Ų442.6 Ų42.62%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-96.2126.6164.2-174.80000108.1W288 L289 I302 Y319 L380 L382W288-V369 WeakPolarHBondContact CA-O 3.37Å; L289-V369 PolarHBondContact N-O 3.28Å; L289-V369 VanDerWaalsContact N-O 3.15Å; L289-V369 PolarHBondContact O-N 2.82Å; I302-V369 HydrophobicContact CD1-CG2 3.53Å; Y319-V369 HydrophobicContact CD2-CG1 3.87Å; Y319-V369 HydrophobicContact CG-CG1 3.91Å; V369-L380 HydrophobicContact CB-CD2 4.21Å; V369-L380 HydrophobicContact CG1-CD2 3.84Å; V369-L380 HydrophobicContact CG2-CD2 4.44Å; V369-L382 HydrophobicContact CG2-CD2 4.41Å
370L97.6Very high95.6Very high32 Ų3238.8 Ų38.817%0.16820%0.198CC..EExtended strand (participates in β ladder)trans-11598.6-177.7-52.5-178.8000109.2W288 Y319 K320 A322 R368W288-L370 HydrophobicContact CB-CD2 3.54Å; Y319-L370 CarbonylContact C-O 3.6Å; Y319-L370 WeakPolarHBondContact CA-O 3.3Å; Y319-L370 WeakPolarHBondContact CB-O 3.4Å; K320-L370 HydrophobicContact CB-CB 4.2Å; K320-L370 HydrophobicContact CB-CD1 4.45Å; K320-L370 PolarHBondContact N-O 3.12Å; K320-L370 PolarHBondContact O-N 2.62Å; A322-L370 HydrophobicContact CB-CD1 3.87Å; A322-L370 HydrophobicContact CB-CG 4.38Å; R368-L370 HydrophobicContact CB-CD2 4.12Å
371P97.5Very high96.2Very high3 Ų335.8 Ų35.82%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-63.1134.4-179.7-23.136.9000112.2W278 Q287 V316 W374 I378W278-P371 HydrophobicContact CZ3-CG 4.42Å; Q287-P371 WeakPolarHBondContact O-CD 3.28Å; V316-P371 HydrophobicContact CG1-CB 4.02Å; V316-P371 HydrophobicContact CG2-CB 4.22Å; V316-P371 HydrophobicContact CG2-CG 4.27Å; P371-W374 HydrophobicContact CB-CE3 4.34Å; P371-I378 HydrophobicContact CB-CD1 4.33Å; P371-I378 HydrophobicContact CB-CG1 4.36Å; P371-I378 HydrophobicContact CB-CG2 3.97Å; P371-I378 HydrophobicContact CG-CG2 3.57Å
372V96.4Very high96.6Very high51 Ų5133 Ų3331%0.30916%0.16SC..EExtended strand (participates in β ladder)trans-113.5-36.9-179.7175.40000111.4S318 K320S318-V372 PolarHBondContact O-N 3.5Å; K320-V372 HydrophobicContact CG-CG2 3.99Å
373A96.6Very high96.7Very high40 Ų4033 Ų3333%0.33116%0.16SC..EExtended strand (participates in β ladder)trans-142.2150.1171.700000110.4A317 S318A317-A373 HydrophobicContact CB-CB 4.38Å; A317-A373 PolarHBondContact N-O 2.93Å; S318-A373 PolarHBondContact N-O 3.01Å; S318-A373 VanDerWaalsContact N-O 3.1Å; S318-A373 PolarHBondContact O-N 2.8Å; S318-A373 VanDerWaalsContact O-N 3.17Å; S318-A373 WeakPolarHBondContact OG-CB 3.41Å; S318-A373 PolarHBondContact OG-N 3.32Å
374W96.6Very high96.8Very high64 Ų6427.8 Ų27.824%0.24213%0.133CC..EExtended strand (participates in β ladder)trans-151.7160.8-177.155.886.3000111.5Y283 N285 F315 P371 I378Y283-W374 AromaticContact CD1-NE1 4Å; Y283-W374 WeakPolarHBondContact O-CZ2 3.21Å; N285-W374 VanDerWaalsContact OD1-CH2 3.23Å; N285-W374 WeakPolarHBondContact OD1-CH2 3.45Å; N285-W374 WeakPolarHBondContact OD1-CZ3 3.36Å; F315-W374 CarbonylContact O-C 3.51Å; F315-W374 WeakPolarHBondContact O-CA 3.21Å; F315-W374 VanDerWaalsContact O-CB 3.27Å; F315-W374 WeakPolarHBondContact O-CB 3.47Å; P371-W374 HydrophobicContact CB-CE3 4.34Å; W374-I378 HydrophobicContact CB-CG1 4.17Å; W374-I378 HydrophobicContact CD2-CD1 3.97Å; W374-I378 HydrophobicContact CD2-CG1 3.33Å; W374-I378 HydrophobicContact CE3-CD1 3.8Å; W374-I378 HydrophobicContact CE3-CG1 3.53Å; W374-I378 HydrophobicContact CG-CG1 3.62Å; W374-I378 HydrophobicContact CH2-CD1 4.04Å; W374-I378 HydrophobicContact CH2-CG1 4.47Å; W374-I378 HydrophobicContact CZ2-CD1 4.2Å; W374-I378 HydrophobicContact CZ2-CG1 4.33Å; W374-I378 HydrophobicContact CZ3-CD1 3.84Å; W374-I378 HydrophobicContact CZ3-CG1 4.1Å
375H95.4Very high96.7Very high81 Ų8128.1 Ų28.138%0.37514%0.135SC..EExtended strand (participates in β ladder)trans-105.7126172.8-179.2-90.2000109.9V313 Q314 F315 R377V313-H375 PolarHBondContact O-ND1 3.45Å; V313-H375 VanDerWaalsContact O-ND1 3.15Å; Q314-H375 WeakPolarHBondContact CA-O 3.44Å; F315-H375 HydrophobicContact CD1-CB 3.86Å; F315-H375 HydrophobicContact CD2-CB 4.02Å; F315-H375 HydrophobicContact CE1-CB 3.47Å; F315-H375 VanDerWaalsContact CE1-CB 3.47Å; F315-H375 AromaticContact CE1-CG 3.64Å; F315-H375 AromaticContact CE1-ND1 3.81Å; F315-H375 HydrophobicContact CE2-CB 3.64Å; F315-H375 HydrophobicContact CG-CB 4.12Å; F315-H375 HydrophobicContact CZ-CB 3.35Å; F315-H375 AromaticContact CZ-CG 3.78Å; F315-H375 PolarHBondContact N-O 3.13Å; F315-H375 PolarHBondContact O-N 3.37Å; H375-R377 PolarHBondContact O-N 2.83Å
376N93.5Very high96.4Very high92 Ų9224.3 Ų24.349%0.49212%0.121SC..SBendtrans58.5-64.3-175.2-72.1-31.1000115.8Y283 V313 Q314Y283-N376 VanDerWaalsContact CE1-O 3.29Å; Y283-N376 WeakPolarHBondContact CE1-O 3.13Å; V313-N376 PolarHBondContact O-ND2 2.88Å; Q314-N376 HydrophobicContact CG-CB 3.93Å
377R93.8Very high95.8Very high43 Ų4326.3 Ų26.316%0.16214%0.138CC..SBendtrans-136.7152.9174.4-52.4-160.4159.5-110.4-0.8111V279 Y283 Q314 H375 A379V279-R377 HydrophobicContact CG1-CB 3.98Å; Y283-R377 HydrophobicContact CE1-CB 4.05Å; Y283-R377 HydrophobicContact CE1-CG 3.79Å; Y283-R377 PolarHBondContact OH-NE 2.85Å; Y283-R377 PolarHBondContact OH-NH1 3.35Å; Y283-R377 PolarHBondContact OH-NH2 2.99Å; Q314-R377 HydrophobicContact CB-CB 4.26Å; Q314-R377 HydrophobicContact CG-CB 4.1Å; Q314-R377 HydrophobicContact CG-CG 4.13Å; H375-R377 PolarHBondContact O-N 2.83Å; R377-A379 VanDerWaalsContact C-N 3.34Å; R377-A379 PolarHBondContact O-N 2.04Å
378I96.5Very high95.7Very high1 Ų127.5 Ų27.51%0.00514%0.144CC..  trans-65.196.2164.3-60.5172.5000107.1W278 V279 A280 Q287 V316 P371 W374W278-I378 HydrophobicContact CH2-CG2 3.87Å; W278-I378 HydrophobicContact CZ3-CG2 3.73Å; V279-I378 VanDerWaalsContact CA-O 3.23Å; V279-I378 WeakPolarHBondContact CA-O 3.39Å; V279-I378 WeakPolarHBondContact CG1-O 3.12Å; A280-I378 HydrophobicContact CB-CB 3.87Å; A280-I378 HydrophobicContact CB-CD1 4.18Å; A280-I378 HydrophobicContact CB-CG2 3.94Å; A280-I378 PolarHBondContact N-O 3.39Å; Q287-I378 HydrophobicContact CB-CD1 4.07Å; Q287-I378 HydrophobicContact CG-CD1 4.15Å; V316-I378 HydrophobicContact CG2-CG2 4.09Å; P371-I378 HydrophobicContact CB-CD1 4.33Å; P371-I378 HydrophobicContact CB-CG1 4.36Å; P371-I378 HydrophobicContact CB-CG2 3.97Å; P371-I378 HydrophobicContact CG-CG2 3.57Å; W374-I378 HydrophobicContact CB-CG1 4.17Å; W374-I378 HydrophobicContact CD2-CD1 3.97Å; W374-I378 HydrophobicContact CD2-CG1 3.33Å; W374-I378 HydrophobicContact CE3-CD1 3.8Å; W374-I378 HydrophobicContact CE3-CG1 3.53Å; W374-I378 HydrophobicContact CG-CG1 3.62Å; W374-I378 HydrophobicContact CH2-CD1 4.04Å; W374-I378 HydrophobicContact CH2-CG1 4.47Å; W374-I378 HydrophobicContact CZ2-CD1 4.2Å; W374-I378 HydrophobicContact CZ2-CG1 4.33Å; W374-I378 HydrophobicContact CZ3-CD1 3.84Å; W374-I378 HydrophobicContact CZ3-CG1 4.1Å
379A96.1Very high95.6Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-127.8128.717900000109.4W278 V279 A307 Q314 V316 R377W278-A379 WeakPolarHBondContact O-CA 3.33Å; V279-A379 HydrophobicContact CG2-CB 3.78Å; A307-A379 HydrophobicContact CB-CB 4.04Å; Q314-A379 HydrophobicContact CB-CB 3.61Å; V316-A379 PolarHBondContact N-O 2.86Å; R377-A379 VanDerWaalsContact C-N 3.34Å; R377-A379 PolarHBondContact O-N 2.04Å
380L96.8Very high95.4Very high0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-144.4133.9-173-165.963000112.8A267 W278 L289 T304 V316 V369 L382A267-L380 WeakPolarHBondContact CA-O 3.06Å; W278-L380 HydrophobicContact CE3-CB 4.07Å; W278-L380 PolarHBondContact N-O 2.88Å; W278-L380 VanDerWaalsContact N-O 3.1Å; W278-L380 PolarHBondContact O-N 2.95Å; L289-L380 HydrophobicContact CD2-CD2 4.14Å; T304-L380 HydrophobicContact CG2-CD1 3.92Å; V316-L380 HydrophobicContact CB-CD1 4.44Å; V316-L380 HydrophobicContact CG2-CB 4.4Å; V316-L380 HydrophobicContact CG2-CD1 4.37Å; V369-L380 HydrophobicContact CB-CD2 4.21Å; V369-L380 HydrophobicContact CG1-CD2 3.84Å; V369-L380 HydrophobicContact CG2-CD2 4.44Å; L380-L382 HydrophobicContact CD2-CD2 3.73Å; L380-L382 HydrophobicContact CG-CD2 4.07Å
381R98Very high95.3Very high7 Ų727.5 Ų27.53%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-115.3141.4155.3-73.1178-78.2178.37.8107.5R268 K271 N276 A277 Q305 G306 N350R268-R381 WeakPolarHBondContact O-CB 3.49Å; R268-R381 WeakPolarHBondContact O-CD 3.35Å; R268-R381 VanDerWaalsContact O-CG 3.31Å; R268-R381 WeakPolarHBondContact O-CG 3.27Å; K271-R381 PolarHBondContact O-NH1 2.96Å; N276-R381 PolarHBondContact ND2-NH1 3.23Å; N276-R381 WeakPolarHBondContact O-CD 3.28Å; N276-R381 WeakPolarHBondContact O-CG 3.43Å; A277-R381 HydrophobicContact CB-CG 3.88Å; Q305-R381 HydrophobicContact CB-CB 4.13Å; Q305-R381 VanDerWaalsContact CD-CZ 3.4Å; Q305-R381 VanDerWaalsContact CD-NH2 3.35Å; Q305-R381 PolarHBondContact N-O 2.84Å; Q305-R381 PolarHBondContact O-N 3.02Å; Q305-R381 VanDerWaalsContact OE1-NE 3.16Å; G306-R381 VanDerWaalsContact O-CZ 3.25Å; G306-R381 PolarHBondContact O-NE 2.88Å; G306-R381 PolarHBondContact O-NH2 2.79Å; N350-R381 PolarHBondContact O-NH2 2.94Å
382L97.8Very high95.2Very high1 Ų129.1 Ų29.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-146.2164.4177.472120.7000113.9L236 A267 L269 L289 I302 I303 T304 V369 L380 L384L236-L382 HydrophobicContact CD1-CD1 3.4Å; L236-L382 HydrophobicContact CD1-CG 3.79Å; A267-L382 HydrophobicContact CB-CD2 4.4Å; A267-L382 PolarHBondContact O-N 2.86Å; L269-L382 PolarHBondContact N-O 3.35Å; L289-L382 HydrophobicContact CD2-CD2 3.32Å; L289-L382 HydrophobicContact CG-CD2 4.46Å; I302-L382 HydrophobicContact CD1-CB 4.34Å; I302-L382 HydrophobicContact CD1-CD1 3.94Å; I302-L382 HydrophobicContact CG1-CB 4.35Å; I302-L382 HydrophobicContact CG1-CD1 4.21Å; I303-L382 CarbonylContact O-C 3.58Å; I303-L382 WeakPolarHBondContact O-CA 3.41Å; I303-L382 VanDerWaalsContact O-CB 3.24Å; I303-L382 WeakPolarHBondContact O-CB 3.39Å; T304-L382 HydrophobicContact CG2-CB 4.5Å; V369-L382 HydrophobicContact CG2-CD2 4.41Å; L380-L382 HydrophobicContact CD2-CD2 3.73Å; L380-L382 HydrophobicContact CG-CD2 4.07Å; L382-L384 HydrophobicContact CD1-CD2 3.86Å; L382-L384 HydrophobicContact CD1-CG 3.83Å
383E97.4Very high95.1Very high4 Ų427.6 Ų27.62%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-130.3141.7162.4-177.760.3-84.900107.9P233 G235 L236 K237 L269 I302 I303 L385P233-E383 HydrophobicContact CB-CG 3.65Å; G235-E383 PolarHBondContact N-OE1 2.69Å; L236-E383 WeakPolarHBondContact CB-OE1 3.36Å; L236-E383 PolarHBondContact N-OE1 2.6Å; L236-E383 PolarHBondContact N-OE2 3.2Å; K237-E383 WeakPolarHBondContact CB-OE2 3.39Å; K237-E383 PolarHBondContact N-OE2 2.61Å; L269-E383 HydrophobicContact CB-CB 3.87Å; L269-E383 HydrophobicContact CD2-CB 3.81Å; L269-E383 HydrophobicContact CG-CB 4.44Å; I302-E383 CarbonylContact C-O 3.6Å; I302-E383 WeakPolarHBondContact CA-O 3.39Å; I303-E383 HydrophobicContact CB-CB 4.41Å; I303-E383 PolarHBondContact N-O 3.34Å; I303-E383 PolarHBondContact O-N 3.49Å; E383-L385 HydrophobicContact CG-CD2 4.34Å
384L96.6Very high95Very high1 Ų126.7 Ų26.71%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-98.4142.5172.4-66174.7000108.8L234 L236 V291 L293 V299 I302 V367 L382L234-L384 HydrophobicContact CB-CB 4.27Å; L234-L384 HydrophobicContact CD1-CB 3.92Å; L234-L384 HydrophobicContact CG-CB 4.42Å; L234-L384 PolarHBondContact N-O 3.28Å; L236-L384 HydrophobicContact CD1-CG 4.18Å; V291-L384 HydrophobicContact CB-CD1 4Å; V291-L384 HydrophobicContact CG1-CD1 4.12Å; V291-L384 HydrophobicContact CG2-CD1 4.19Å; L293-L384 HydrophobicContact CD2-CD1 4.01Å; V299-L384 HydrophobicContact CG1-CB 4.43Å; V299-L384 HydrophobicContact CG1-CD2 4.45Å; I302-L384 HydrophobicContact CB-CD2 4.03Å; I302-L384 HydrophobicContact CD1-CD2 4.09Å; I302-L384 HydrophobicContact CG1-CD2 3.99Å; V367-L384 HydrophobicContact CB-CD1 4.02Å; V367-L384 HydrophobicContact CG1-CD1 4.3Å; V367-L384 HydrophobicContact CG1-CD2 4.18Å; V367-L384 HydrophobicContact CG2-CD1 4.21Å; L382-L384 HydrophobicContact CD1-CD2 3.86Å; L382-L384 HydrophobicContact CD1-CG 3.83Å
385L93.1Very high94.9Very high7 Ų723.8 Ų23.84%0.03713%0.125CC..EExtended strand (participates in β ladder)trans-110.8134.7-178.9-54.7179.6000109N232 V299 T300 G301 I303 K355 L357 E383N232-L385 WeakPolarHBondContact O-CA 3.21Å; V299-L385 CarbonylContact C-O 3.56Å; V299-L385 WeakPolarHBondContact CA-O 3.44Å; V299-L385 WeakPolarHBondContact CG1-O 3.09Å; T300-L385 PolarHBondContact N-O 2.78Å; T300-L385 PolarHBondContact OG1-O 2.89Å; G301-L385 PolarHBondContact N-O 2.98Å; G301-L385 PolarHBondContact O-N 3.12Å; I303-L385 HydrophobicContact CD1-CD1 4.25Å; I303-L385 HydrophobicContact CD1-CD2 4.03Å; I303-L385 HydrophobicContact CG1-CD1 4Å; I303-L385 HydrophobicContact CG1-CD2 4.32Å; I303-L385 HydrophobicContact CG1-CG 4.33Å; K355-L385 HydrophobicContact CD-CD1 4.21Å; K355-L385 HydrophobicContact CG-CD1 4.11Å; L357-L385 HydrophobicContact CD2-CD1 3.92Å; E383-L385 HydrophobicContact CG-CD2 4.34Å
386G91.1Very high94.8Very high1 Ų119.1 Ų19.11%0.0110%0.104CC..EExtended strand (participates in β ladder)trans174-163.5-170.700000114.8C230 N232 L234 E298C230-G386 CarbonylContact C-O 3.5Å; C230-G386 CarbonylContact O-C 3.56Å; C230-G386 WeakPolarHBondContact O-CA 3.46Å; C230-G386 PolarHBondContact O-N 2.77Å; C230-G386 VanDerWaalsContact SG-C 3.54Å; N232-G386 PolarHBondContact N-O 2.93Å; N232-G386 PolarHBondContact O-N 2.88Å; L234-G386 VanDerWaalsContact CD2-C 3.49Å; E298-G386 CarbonylContact O-C 3.52Å; E298-G386 WeakPolarHBondContact O-CA 3.45Å
387C87.3Confident94.9Very high72 Ų7212.5 Ų12.549%0.4867%0.069SC..  trans-155.70172.865.20000110.7C230 K297 E298C230-C387 HydrophobicContact CB-CB 3.97Å; C230-C387 WeakPolarHBondContact CB-SG 3.11Å; C230-C387 VanDerWaalsContact SG-CA 3.57Å; C230-C387 WeakPolarHBondContact SG-CB 3.41Å; C230-C387 PolarHBondContact SG-N 2.97Å; C230-C387 CovalentContact SG-SG 2.04Å; C230-C387 PolarHBondContact SG-SG 2.82Å; K297-C387 WeakPolarHBondContact CA-OXT 3.29Å; K297-C387 WeakPolarHBondContact CD-O 3.36Å; K297-C387 WeakPolarHBondContact CD-OXT 3.32Å; K297-C387 WeakPolarHBondContact CE-O 3.36Å; K297-C387 PolarHBondContact NZ-O 3.14Å; E298-C387 PolarHBondContact N-OXT 3.34Å; E298-C387 PolarHBondContact O-N 3.43Å

Retrieved 387 of 387 residues in 1136.4 ms (Link to these results)