A0A096LR07_POEFO Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LR07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 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
1S36.3Very low30.3Very low175 Ų175138.4 Ų138.4100%1.22480%0.8SS**  097.30-40.40000106.4
2S26.5Very low30.8Very low117 Ų117129.9 Ų129.982%0.81876%0.755SS**  -164.5131.47537.20000109.9S4S2-S4 PolarHBondContact O-N 3.37Å
3Y26.8Very low31.5Very low234 Ų234127.8 Ų127.892%0.91875%0.748SS**  trans-65117.4168.9-90.9-106.3000109.6
4S28.1Very low32.5Very low112 Ų112128.9 Ų128.978%0.78373%0.733SS**  trans-97.6104.3157.455.90000107.5S2 G6S2-S4 PolarHBondContact O-N 3.37Å; S4-G6 PolarHBondContact O-N 3.12Å
5T28.3Very low33.4Very low132 Ų132121.5 Ų121.581%0.8169%0.692SS**  trans-54.9103171.442.80000109.6S7T5-S7 PolarHBondContact O-N 3Å; T5-S7 VanDerWaalsContact O-N 3.12Å
6G28.4Very low34.2Very low69 Ų69114.1 Ų114.171%0.71165%0.651SS**  trans-64.1109.3165.900000108.2S4 L8S4-G6 PolarHBondContact O-N 3.12Å; G6-L8 PolarHBondContact O-N 3.08Å; G6-L8 VanDerWaalsContact O-N 3.08Å
7S32.5Very low34.7Very low79 Ų79113.5 Ų113.555%0.55265%0.645SS**  trans-55113163.741.30000107.6T5 F9T5-S7 PolarHBondContact O-N 3Å; T5-S7 VanDerWaalsContact O-N 3.12Å; S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 VanDerWaalsContact O-CD2 3.25Å; S7-F9 WeakPolarHBondContact O-CD2 3.33Å; S7-F9 PolarHBondContact O-N 2.87Å; S7-F9 WeakPolarHBondContact OG-CE2 3.25Å
8L30.1Very low35.1Very low172 Ų172114.3 Ų114.390%0.90164%0.636SS**  trans-61.297.8170-124.9100000106.6G6 M10G6-L8 PolarHBondContact O-N 3.08Å; G6-L8 VanDerWaalsContact O-N 3.08Å; L8-M10 PolarHBondContact O-N 2.9Å; L8-M10 VanDerWaalsContact O-N 3.1Å
9F32.5Very low35.4Very low150 Ų150116.4 Ų116.466%0.65864%0.637SS**  trans-69.1107.2170-70.4-81.3000106.8S7 L11S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 VanDerWaalsContact O-CD2 3.25Å; S7-F9 WeakPolarHBondContact O-CD2 3.33Å; S7-F9 PolarHBondContact O-N 2.87Å; S7-F9 WeakPolarHBondContact OG-CE2 3.25Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 3.1Å
10M31.3Very low35.8Very low163 Ų163117.9 Ų117.980%0.80364%0.643SS**  trans-74.185.6176.4-157.6168.693.500108.3L8 S12L8-M10 PolarHBondContact O-N 2.9Å; L8-M10 VanDerWaalsContact O-N 3.1Å; M10-S12 PolarHBondContact O-N 2.85Å; M10-S12 VanDerWaalsContact O-N 3.15Å; M10-S12 PolarHBondContact O-OG 2.84Å
11L33Very low36Very low119 Ų119120.1 Ų120.162%0.62365%0.654SS**  trans-63.7111.9173.6-72165.3000108F9 I75F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 3.1Å; L11-I75 HydrophobicContact CB-CD1 3.85Å; L11-I75 HydrophobicContact CB-CG2 4.18Å; L11-I75 HydrophobicContact CD1-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CB 4.33Å; L11-I75 HydrophobicContact CD2-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CG2 3.59Å; L11-I75 HydrophobicContact CG-CD1 4.36Å; L11-I75 HydrophobicContact CG-CG2 4.48Å
12S35.4Very low36.1Very low37 Ų37114.4 Ų114.426%0.25961%0.612SS.*  trans-119.2119.2-175-40.60000108.7M10 W14M10-S12 PolarHBondContact O-N 2.85Å; M10-S12 VanDerWaalsContact O-N 3.15Å; M10-S12 PolarHBondContact O-OG 2.84Å; S12-W14 PolarHBondContact O-N 2.8Å; S12-W14 VanDerWaalsContact O-N 3.14Å
13P40.6Very low37Very low103 Ų103114.9 Ų114.967%0.66962%0.616SS**  trans-74.3105176.629.3-30.7000108.2
14W45Very low38.1Very low142 Ų142110.8 Ų110.854%0.53860%0.6SS.*  trans-128.6116.6173.5-60102.9000109.3S12 W27S12-W14 PolarHBondContact O-N 2.8Å; S12-W14 VanDerWaalsContact O-N 3.14Å; W14-W27 VanDerWaalsContact O-CZ3 3.26Å; W14-W27 WeakPolarHBondContact O-CZ3 3.21Å
15V46.5Very low39.2Very low18 Ų18107.5 Ų107.511%0.10957%0.57CS.*  trans-135.7122.3162.9-177.40000109.7A52 L54V15-A52 VanDerWaalsContact CB-O 3.31Å; V15-A52 WeakPolarHBondContact CB-O 3.26Å; V15-A52 VanDerWaalsContact O-O 3.13Å; V15-L54 HydrophobicContact CG1-CD1 4.38Å; V15-L54 HydrophobicContact CG1-CG 4.05Å; V15-L54 HydrophobicContact CG2-CB 4.44Å; V15-L54 HydrophobicContact CG2-CD1 4.13Å; V15-L54 HydrophobicContact CG2-CG 3.92Å
16G46.5Very low40.4Very low4 Ų4101.7 Ų101.74%0.04154%0.536CS..  trans34.7110.2157.300000120W25 G26G16-W25 VanDerWaalsContact O-CZ3 3.29Å; G16-W25 WeakPolarHBondContact O-CZ3 3.49Å; G16-G26 WeakPolarHBondContact CA-O 2.75Å; G16-G26 PolarHBondContact N-O 2.84Å
17L41.4Very low41.6Very low104 Ų104101.4 Ų101.455%0.54551%0.513SS..  trans-74.4120.9155.3-63.4171.1000109.5K19 F50L17-K19 PolarHBondContact O-N 2.96Å; L17-K19 VanDerWaalsContact O-N 3.08Å; L17-F50 WeakPolarHBondContact CA-O 2.95Å; L17-F50 WeakPolarHBondContact CD2-O 2.97Å
18R41.9Very low42.3Very low127 Ų127103.6 Ų103.648%0.47952%0.515SS..  trans-69.2101.8160.5-176.6-179.3178.1-179.13.3107.9D47R18-D47 IonicContact CZ-OD1 2.8Å; R18-D47 IonicContact NH1-OD1 2.63Å; R18-D47 PolarHBondContact NH1-OD1 3.15Å
19K42Very low43.3Very low154 Ų15499.8 Ų99.867%0.6750%0.495SS*.  trans-64.9135.9165-90.3-177.7176.8174.40108.2L17 N21 V22L17-K19 PolarHBondContact O-N 2.96Å; L17-K19 VanDerWaalsContact O-N 3.08Å; K19-N21 PolarHBondContact O-N 3.35Å; K19-V22 HydrophobicContact CB-CG2 4.16Å; K19-V22 PolarHBondContact O-N 3.24Å; K19-V22 VanDerWaalsContact O-N 3.07Å
20I42.5Very low44.2Very low147 Ų14795.7 Ų95.775%0.75449%0.49SS*.THydrogen-bonded Turntrans-56.8-0.5-174.6-62.5167.2000113.8F50I20-F50 HydrophobicContact CD1-CE1 4.09Å; I20-F50 HydrophobicContact CD1-CZ 4.35Å; I20-F50 HydrophobicContact CG1-CE1 4.1Å
21N39.7Very low45.2Very low164 Ų16489.9 Ų89.988%0.87747%0.465SS*.THydrogen-bonded Turntrans-138.116.2-179.3-119.5-7.6000115.5K19K19-N21 PolarHBondContact O-N 3.35Å
22V40.1Very low46.1Very low55 Ų5589 Ų8933%0.33347%0.466SS..  trans-136.4129.1-176.4-165.30000111.3K19 Y24K19-V22 HydrophobicContact CB-CG2 4.16Å; K19-V22 PolarHBondContact O-N 3.24Å; K19-V22 VanDerWaalsContact O-N 3.07Å; V22-Y24 HydrophobicContact CG1-CD1 3.21Å; V22-Y24 HydrophobicContact CG1-CE1 3.08Å; V22-Y24 HydrophobicContact CG1-CG 4.04Å; V22-Y24 PolarHBondContact O-N 3.4Å
23S44.8Very low47Very low128 Ų12890.2 Ų90.290%0.89547%0.467SS*.  trans-90.921.8-174.348.60000114.6
24Y50Low47.4Very low148 Ų14891.7 Ų91.758%0.5847%0.474SS*.  trans-130.2148.9177.172.3-101.5000112.4V22V22-Y24 HydrophobicContact CG1-CD1 3.21Å; V22-Y24 HydrophobicContact CG1-CE1 3.08Å; V22-Y24 HydrophobicContact CG1-CG 4.04Å; V22-Y24 PolarHBondContact O-N 3.4Å
25W51.1Low47.6Very low43 Ų4389.5 Ų89.516%0.16347%0.473CS..  trans-95.4137176.1-65.178000109.5G16 F33 W40 P45 A52G16-W25 VanDerWaalsContact O-CZ3 3.29Å; G16-W25 WeakPolarHBondContact O-CZ3 3.49Å; W25-F33 HydrophobicContact CB-CE2 4.14Å; W25-F33 WeakPolarHBondContact O-CE2 3.12Å; W25-W40 HydrophobicContact CB-CZ2 4.32Å; W25-W40 HydrophobicContact CG-CZ2 4.22Å; W25-P45 VanDerWaalsContact CD1-CG 3.46Å; W25-P45 HydrophobicContact CD2-CG 4.33Å; W25-P45 HydrophobicContact CG-CG 4.3Å; W25-P45 HydrophobicContact CZ2-CB 3.83Å; W25-P45 HydrophobicContact CZ2-CG 4.01Å; W25-A52 HydrophobicContact CH2-CB 4.41Å; W25-A52 HydrophobicContact CZ3-CB 4.15Å
26G53.7Low47.8Very low9 Ų994 Ų949%0.09351%0.505CS..  trans-150.5175.4179.200000111.4G16G16-G26 WeakPolarHBondContact CA-O 2.75Å; G16-G26 PolarHBondContact N-O 2.84Å
27W52Low48.1Very low63 Ų6399 Ų9924%0.23954%0.535CS..  trans-61.8161.7170.1-64.4106.5000110.7W14 D29 A30 S31 F33 C76W14-W27 VanDerWaalsContact O-CZ3 3.26Å; W14-W27 WeakPolarHBondContact O-CZ3 3.21Å; W27-D29 WeakPolarHBondContact CB-OD1 3.2Å; W27-D29 PolarHBondContact O-N 2.8Å; W27-D29 VanDerWaalsContact O-N 3.15Å; W27-A30 WeakPolarHBondContact O-CA 2.67Å; W27-A30 PolarHBondContact O-N 3.08Å; W27-S31 VanDerWaalsContact CD1-O 3.25Å; W27-S31 PolarHBondContact N-O 3.48Å; W27-F33 HydrophobicContact CH2-CE1 4.47Å; W27-F33 AromaticContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CE1 4.11Å; W27-C76 HydrophobicContact CH2-CB 3.26Å; W27-C76 HydrophobicContact CZ2-CB 3.95Å; W27-C76 HydrophobicContact CZ3-CB 4.15Å
28E47.8Very low48.7Very low125 Ų12597.3 Ų97.358%0.58453%0.527SS*.THydrogen-bonded Turntrans-57-29175.9-169.8-179.1-163.800112.3A30E28-A30 PolarHBondContact O-N 2.87Å
29D51.5Low49.4Very low92 Ų92100.8 Ų100.849%0.49254%0.54SS..THydrogen-bonded Turntrans-819.1173.265.713.2000114.2W27 S31 K78W27-D29 WeakPolarHBondContact CB-OD1 3.2Å; W27-D29 PolarHBondContact O-N 2.8Å; W27-D29 VanDerWaalsContact O-N 3.15Å; D29-S31 PolarHBondContact O-N 3.28Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.28Å; D29-S31 PolarHBondContact OD1-N 3.14Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; D29-S31 PolarHBondContact OD1-OG 2.87Å; D29-K78 IonicContact OD2-NZ 3.09Å; D29-K78 PolarHBondContact OD2-NZ 3.09Å; D29-K78 VanDerWaalsContact OD2-NZ 3.09Å
30A51.8Low50.3Low65 Ų6597 Ų9754%0.53752%0.521SS..  trans6114.3-17700000115.4W27 E28W27-A30 WeakPolarHBondContact O-CA 2.67Å; W27-A30 PolarHBondContact O-N 3.08Å; E28-A30 PolarHBondContact O-N 2.87Å
31S52.3Low51.1Low40 Ų4091.9 Ų91.928%0.2850%0.495SS..PPolyproline II helixtrans-72.4145.2173.761.90000111.7W27 D29W27-S31 VanDerWaalsContact CD1-O 3.25Å; W27-S31 PolarHBondContact N-O 3.48Å; D29-S31 PolarHBondContact O-N 3.28Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.28Å; D29-S31 PolarHBondContact OD1-N 3.14Å; D29-S31 VanDerWaalsContact OD1-N 3.09Å; D29-S31 PolarHBondContact OD1-OG 2.87Å
32P52.4Low51.9Low101 Ų10190.4 Ų90.466%0.65649%0.494SS*.PPolyproline II helixtrans-72.3154.4176.829.2-33.6000111.2T34P32-T34 PolarHBondContact O-N 3.09Å; P32-T34 VanDerWaalsContact O-N 3.12Å
33F53Low52.7Low63 Ų6391.6 Ų91.628%0.27652%0.518SS..PPolyproline II helixtrans-57.5118.5172.5-65.8-75000109.9W25 W27 N35W25-F33 HydrophobicContact CB-CE2 4.14Å; W25-F33 WeakPolarHBondContact O-CE2 3.12Å; W27-F33 HydrophobicContact CH2-CE1 4.47Å; W27-F33 AromaticContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CD1 3.97Å; W27-F33 HydrophobicContact CZ2-CE1 4.11Å; F33-N35 VanDerWaalsContact C-N 3.29Å; F33-N35 PolarHBondContact O-N 3.14Å
34T49Very low53.4Low134 Ų13487.5 Ų87.582%0.82248%0.484SS*.SBendtrans-81.6-7.1-173.448.10000113.5P32P32-T34 PolarHBondContact O-N 3.09Å; P32-T34 VanDerWaalsContact O-N 3.12Å
35N49.8Very low53.6Low95 Ų9582.3 Ų82.351%0.50847%0.469SS..  trans-122.2108.4-177.7-162.8-24.5000111.3F33 T37F33-N35 VanDerWaalsContact C-N 3.29Å; F33-N35 PolarHBondContact O-N 3.14Å; N35-T37 PolarHBondContact O-N 3.43Å; N35-T37 VanDerWaalsContact O-N 3.13Å; N35-T37 PolarHBondContact OD1-OG1 3.12Å
36S50.1Low53.8Low113 Ų11382.1 Ų82.179%0.7947%0.474SS*.THydrogen-bonded Turntrans-77.213-171.757.80000115.4
37T52.5Low53.9Low109 Ų10988.3 Ų88.367%0.66951%0.505SS*.THydrogen-bonded Turntrans-87.6-13.7178.3490000113.2N35N35-T37 PolarHBondContact O-N 3.43Å; N35-T37 VanDerWaalsContact O-N 3.13Å; N35-T37 PolarHBondContact OD1-OG1 3.12Å
38L54.1Low53.9Low69 Ų6986.1 Ų86.136%0.36150%0.5SS..  trans-92.8119.1-179.4-64.5175.1000110L62L38-L62 HydrophobicContact CB-CD1 3.67Å; L38-L62 HydrophobicContact CB-CG 4.27Å; L38-L62 HydrophobicContact CD1-CD1 4.22Å; L38-L62 HydrophobicContact CD2-CD1 4.25Å; L38-L62 HydrophobicContact CD2-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CG 4.2Å; L38-L62 HydrophobicContact CG-CD1 4.26Å
39R57.2Low54Low199 Ų19982.2 Ų82.275%0.75149%0.493SS*.  trans-122137.4174.2-67.1-174.3178.8-172.7-0.3109.5G61 L62R39-G61 CarbonylContact O-C 3.57Å; R39-G61 WeakPolarHBondContact O-CA 3.32Å; R39-L62 PolarHBondContact O-N 3.2Å
40W60.4Low53.8Low75 Ų7584.4 Ų84.428%0.28450%0.498SS..BIsolated β-bridgetrans-64.6147.2172.3-66.1104.9000110.8W25 E44 P45 L54 L62 A64W25-W40 HydrophobicContact CB-CZ2 4.32Å; W25-W40 HydrophobicContact CG-CZ2 4.22Å; W40-E44 HydrophobicContact CE3-CB 4.15Å; W40-P45 HydrophobicContact CD2-CB 4.33Å; W40-P45 HydrophobicContact CD2-CG 4.32Å; W40-P45 HydrophobicContact CE3-CB 4.01Å; W40-P45 HydrophobicContact CE3-CG 4.48Å; W40-P45 HydrophobicContact CH2-CB 3.89Å; W40-P45 HydrophobicContact CH2-CG 4.46Å; W40-P45 HydrophobicContact CZ2-CB 4.25Å; W40-P45 HydrophobicContact CZ2-CG 4.33Å; W40-P45 HydrophobicContact CZ3-CB 3.8Å; W40-L54 HydrophobicContact CE3-CD2 4.46Å; W40-L54 HydrophobicContact CH2-CD2 3.2Å; W40-L54 HydrophobicContact CZ2-CD2 4.04Å; W40-L54 HydrophobicContact CZ3-CD2 3.43Å; W40-L54 VanDerWaalsContact CZ3-CD2 3.43Å; W40-L62 HydrophobicContact CD2-CB 4.22Å; W40-L62 HydrophobicContact CE3-CB 3.74Å; W40-L62 HydrophobicContact CZ3-CB 4.05Å; W40-A64 HydrophobicContact CH2-CB 4.09Å; W40-A64 HydrophobicContact CZ3-CB 3.84Å
41L60.2Low53.8Low40 Ų4083.9 Ų83.921%0.20949%0.49CS..PPolyproline II helixtrans-66.1153.6168.3-72.6173.7000110.8G43 E44 T57 L62L41-G43 PolarHBondContact O-N 3.35Å; L41-E44 HydrophobicContact CB-CB 4.26Å; L41-E44 HydrophobicContact CB-CG 4.15Å; L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 3.13Å; L41-T57 HydrophobicContact CD1-CG2 4.02Å; L41-L62 PolarHBondContact N-O 3.17Å; L41-L62 VanDerWaalsContact N-O 3.12Å
42P57.3Low53.9Low132 Ų13282.3 Ų82.386%0.85748%0.479SS*.THydrogen-bonded Turntrans-58.1123.5172.5-19.230.7000110.6
43G56.3Low54.2Low80 Ų8078.8 Ų78.883%0.82545%0.454SS*.THydrogen-bonded Turntrans89.6-2.7-176.400000114.8L41L41-G43 PolarHBondContact O-N 3.35Å
44E58.6Low54.5Low42 Ų4275.9 Ų75.920%0.19644%0.441CS..  trans-104155.7167.4-72.3-7115500110W40 L41 S46 K63 A64W40-E44 HydrophobicContact CE3-CB 4.15Å; L41-E44 HydrophobicContact CB-CB 4.26Å; L41-E44 HydrophobicContact CB-CG 4.15Å; L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 3.13Å; E44-S46 PolarHBondContact OE2-N 3.07Å; E44-K63 HydrophobicContact CG-CB 4.45Å; E44-K63 HydrophobicContact CG-CG 4.07Å; E44-K63 WeakPolarHBondContact OE1-CG 3.36Å; E44-A64 PolarHBondContact OE2-N 2.81Å
45P55.5Low55.1Low40 Ų4072.5 Ų72.526%0.2642%0.416SS..SBendcis-75.9139.72.524.9-27.5000113.5W25 W40 A64W25-P45 VanDerWaalsContact CD1-CG 3.46Å; W25-P45 HydrophobicContact CD2-CG 4.33Å; W25-P45 HydrophobicContact CG-CG 4.3Å; W25-P45 HydrophobicContact CZ2-CB 3.83Å; W25-P45 HydrophobicContact CZ2-CG 4.01Å; W40-P45 HydrophobicContact CD2-CB 4.33Å; W40-P45 HydrophobicContact CD2-CG 4.32Å; W40-P45 HydrophobicContact CE3-CB 4.01Å; W40-P45 HydrophobicContact CE3-CG 4.48Å; W40-P45 HydrophobicContact CH2-CB 3.89Å; W40-P45 HydrophobicContact CH2-CG 4.46Å; W40-P45 HydrophobicContact CZ2-CB 4.25Å; W40-P45 HydrophobicContact CZ2-CG 4.33Å; W40-P45 HydrophobicContact CZ3-CB 3.8Å; P45-A64 HydrophobicContact CB-CB 3.85Å
46S53.8Low55.4Low39 Ų3976.8 Ų76.827%0.27343%0.425SS..  trans-67162.6174.670.80000112.6E44 S48 A64E44-S46 PolarHBondContact OE2-N 3.07Å; S46-S48 PolarHBondContact O-N 3.48Å; S46-S48 PolarHBondContact O-OG 3.4Å; S46-S48 PolarHBondContact OG-OG 2.75Å; S46-A64 PolarHBondContact OG-O 3.46Å
47D56.8Low55.6Low138 Ų13872.8 Ų72.874%0.73840%0.396SS*.  trans-71.640.7178.3-84.8-35.9000113.2R18 G49R18-D47 IonicContact CZ-OD1 2.8Å; R18-D47 IonicContact NH1-OD1 2.63Å; R18-D47 PolarHBondContact NH1-OD1 3.15Å; D47-G49 PolarHBondContact O-N 2.87Å
48S51.8Low55.7Low18 Ų1877.7 Ų77.713%0.12641%0.411CS..  trans-69.822.3-1681.20000116.2S46 A64S46-S48 PolarHBondContact O-N 3.48Å; S46-S48 PolarHBondContact O-OG 3.4Å; S46-S48 PolarHBondContact OG-OG 2.75Å; S48-A64 PolarHBondContact OG-O 2.03Å
49G48.8Very low55.7Low42 Ų4278 Ų7843%0.43342%0.419SS..  trans84.1-164.4174.600000114D47 C51D47-G49 PolarHBondContact O-N 2.87Å; G49-C51 PolarHBondContact O-N 3.12Å
50F48.6Very low55.4Low139 Ų13973.6 Ų73.661%0.6143%0.425SS*.SBendtrans-70.1-18-172.8-71.1-79.9000113.9L17 I20L17-F50 WeakPolarHBondContact CA-O 2.95Å; L17-F50 WeakPolarHBondContact CD2-O 2.97Å; I20-F50 HydrophobicContact CD1-CE1 4.09Å; I20-F50 HydrophobicContact CD1-CZ 4.35Å; I20-F50 HydrophobicContact CG1-CE1 4.1Å
51C50.4Low55.2Low54 Ų5470.7 Ų70.737%0.36542%0.418SS..  trans-139.7143.1176.870.10000109.1G49 C67G49-C51 PolarHBondContact O-N 3.12Å; C51-C67 HydrophobicContact CB-CB 4.45Å; C51-C67 WeakPolarHBondContact CB-SG 3.49Å; C51-C67 PolarHBondContact O-SG 2.98Å; C51-C67 WeakPolarHBondContact SG-CB 3.46Å; C51-C67 CovalentContact SG-SG 2.03Å; C51-C67 PolarHBondContact SG-SG 3.29Å
52A55.8Low55.1Low6 Ų669.2 Ų69.25%0.0541%0.41CS..EExtended strand (participates in β ladder)trans-137166.6174.700000109.2V15 W25 A64 N65V15-A52 VanDerWaalsContact CB-O 3.31Å; V15-A52 WeakPolarHBondContact CB-O 3.26Å; V15-A52 VanDerWaalsContact O-O 3.13Å; W25-A52 HydrophobicContact CH2-CB 4.41Å; W25-A52 HydrophobicContact CZ3-CB 4.15Å; A52-A64 HydrophobicContact CB-CB 4.08Å; A52-N65 WeakPolarHBondContact CA-O 3.17Å; A52-N65 WeakPolarHBondContact CB-O 3.47Å
53F59.1Low55.4Low28 Ų2866.5 Ų66.512%0.12339%0.385CS..EExtended strand (participates in β ladder)trans-123.5158162.357-96.6000109N65 P66 A69 T71F53-N65 HydrophobicContact CD2-CB 4.18Å; F53-N65 HydrophobicContact CE1-CB 4.03Å; F53-N65 HydrophobicContact CE2-CB 3.31Å; F53-N65 HydrophobicContact CZ-CB 3.22Å; F53-N65 PolarHBondContact N-O 3.16Å; F53-N65 PolarHBondContact O-N 3.05Å; F53-P66 WeakPolarHBondContact CE1-O 3.31Å; F53-A69 HydrophobicContact CE1-CB 4.45Å; F53-A69 HydrophobicContact CZ-CB 4.09Å; F53-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F53-T71 HydrophobicContact CE2-CG2 3.74Å; F53-T71 WeakPolarHBondContact CE2-OG1 3.04Å; F53-T71 HydrophobicContact CZ-CG2 3.56Å; F53-T71 WeakPolarHBondContact CZ-OG1 3.37Å
54L58Low55.8Low1 Ų162.7 Ų62.71%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-90.1125.8179.7-73.4175.3000110.2V15 W40 L62 L74V15-L54 HydrophobicContact CG1-CD1 4.38Å; V15-L54 HydrophobicContact CG1-CG 4.05Å; V15-L54 HydrophobicContact CG2-CB 4.44Å; V15-L54 HydrophobicContact CG2-CD1 4.13Å; V15-L54 HydrophobicContact CG2-CG 3.92Å; W40-L54 HydrophobicContact CE3-CD2 4.46Å; W40-L54 HydrophobicContact CH2-CD2 3.2Å; W40-L54 HydrophobicContact CZ2-CD2 4.04Å; W40-L54 HydrophobicContact CZ3-CD2 3.43Å; W40-L54 VanDerWaalsContact CZ3-CD2 3.43Å; L54-L62 HydrophobicContact CB-CD2 4.16Å; L54-L62 HydrophobicContact CD1-CD1 3.76Å; L54-L62 HydrophobicContact CD1-CD2 4.22Å; L54-L62 HydrophobicContact CD2-CB 4.02Å; L54-L62 HydrophobicContact CD2-CD1 3.85Å; L54-L62 HydrophobicContact CD2-CD2 4.14Å; L54-L62 HydrophobicContact CD2-CG 4.24Å; L54-L62 HydrophobicContact CG-CD1 4.38Å; L54-L62 HydrophobicContact CG-CD2 4.39Å; L54-L74 PolarHBondContact O-N 3.23Å
55E61.1Low55.8Low63 Ų6361.5 Ų61.529%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-102.7135.8170-173.7175.7-15400109.4T57 K63 N65E55-T57 PolarHBondContact O-N 2.73Å; E55-K63 PolarHBondContact N-O 3.09Å; E55-K63 PolarHBondContact O-N 3.27Å; E55-N65 PolarHBondContact OE2-ND2 2.86Å
56R57.1Low56Low185 Ų18562 Ų6270%0.69834%0.344SS*.EExtended strand (participates in β ladder)trans-81114.1170.2-168.4177.5-78.3-178.7-2.3108.2L74R56-L74 HydrophobicContact CB-CD1 3.71Å; R56-L74 HydrophobicContact CB-CD2 4.26Å; R56-L74 HydrophobicContact CB-CG 4.11Å; R56-L74 HydrophobicContact CG-CD1 4.5Å
57T54.4Low56Low30 Ų3063.2 Ų63.218%0.18435%0.352CS..  trans-84.7147.8171.654.80000110.7L41 E55 S59 G61 K63L41-T57 HydrophobicContact CD1-CG2 4.02Å; E55-T57 PolarHBondContact O-N 2.73Å; T57-S59 CarbonylContact C-O 3.59Å; T57-S59 PolarHBondContact O-N 3.43Å; T57-S59 PolarHBondContact OG1-O 2.9Å; T57-G61 PolarHBondContact OG1-O 2.58Å; T57-G61 VanDerWaalsContact OG1-O 3.05Å; T57-K63 HydrophobicContact CG2-CB 4.01Å
58E54.6Low55.9Low212 Ų21262.9 Ų62.999%0.99136%0.355SS*.SBendtrans-61.6-26.9177.1-68-176.3160.100112.6
59S53.3Low55.9Low74 Ų7464 Ų6452%0.51737%0.365SS..SBendtrans-84.3126.4165.251.70000109.3T57 G61T57-S59 CarbonylContact C-O 3.59Å; T57-S59 PolarHBondContact O-N 3.43Å; T57-S59 PolarHBondContact OG1-O 2.9Å; S59-G61 PolarHBondContact O-N 3.15Å
60A51.8Low56.1Low107 Ų10770.6 Ų70.688%0.88439%0.389SS*.SBendtrans-4896.6-173.300000113.7
61G56.5Low56.3Low14 Ų1466.1 Ų66.114%0.14437%0.373CS..SBendtrans173.2167175.300000113.9R39 T57 S59R39-G61 CarbonylContact O-C 3.57Å; R39-G61 WeakPolarHBondContact O-CA 3.32Å; T57-G61 PolarHBondContact OG1-O 2.58Å; T57-G61 VanDerWaalsContact OG1-O 3.05Å; S59-G61 PolarHBondContact O-N 3.15Å
62L58.5Low56.5Low9 Ų971.1 Ų71.15%0.04740%0.396CS..EExtended strand (participates in β ladder)trans-98.7142.6173.6-75-178.2000110.9L38 R39 W40 L41 L54 L74L38-L62 HydrophobicContact CB-CD1 3.67Å; L38-L62 HydrophobicContact CB-CG 4.27Å; L38-L62 HydrophobicContact CD1-CD1 4.22Å; L38-L62 HydrophobicContact CD2-CD1 4.25Å; L38-L62 HydrophobicContact CD2-CD2 4.08Å; L38-L62 HydrophobicContact CD2-CG 4.2Å; L38-L62 HydrophobicContact CG-CD1 4.26Å; R39-L62 PolarHBondContact O-N 3.2Å; W40-L62 HydrophobicContact CD2-CB 4.22Å; W40-L62 HydrophobicContact CE3-CB 3.74Å; W40-L62 HydrophobicContact CZ3-CB 4.05Å; L41-L62 PolarHBondContact N-O 3.17Å; L41-L62 VanDerWaalsContact N-O 3.12Å; L54-L62 HydrophobicContact CB-CD2 4.16Å; L54-L62 HydrophobicContact CD1-CD1 3.76Å; L54-L62 HydrophobicContact CD1-CD2 4.22Å; L54-L62 HydrophobicContact CD2-CB 4.02Å; L54-L62 HydrophobicContact CD2-CD1 3.85Å; L54-L62 HydrophobicContact CD2-CD2 4.14Å; L54-L62 HydrophobicContact CD2-CG 4.24Å; L54-L62 HydrophobicContact CG-CD1 4.38Å; L54-L62 HydrophobicContact CG-CD2 4.39Å; L62-L74 HydrophobicContact CD2-CD1 4.28Å
63K62.9Low56.3Low75 Ų7572.4 Ų72.433%0.32641%0.41SS..EExtended strand (participates in β ladder)trans-124.9137.2172.5-174.2177.3-179.7-172.40110.6E44 E55 T57E44-K63 HydrophobicContact CG-CB 4.45Å; E44-K63 HydrophobicContact CG-CG 4.07Å; E44-K63 WeakPolarHBondContact OE1-CG 3.36Å; E55-K63 PolarHBondContact N-O 3.09Å; E55-K63 PolarHBondContact O-N 3.27Å; T57-K63 HydrophobicContact CG2-CB 4.01Å
64A64.1Low55.8Low0 Ų073.7 Ų73.70%042%0.417CS..EExtended strand (participates in β ladder)trans-94.8126.3175.300000109.6W40 E44 P45 S46 S48 A52W40-A64 HydrophobicContact CH2-CB 4.09Å; W40-A64 HydrophobicContact CZ3-CB 3.84Å; E44-A64 PolarHBondContact OE2-N 2.81Å; P45-A64 HydrophobicContact CB-CB 3.85Å; S46-A64 PolarHBondContact OG-O 3.46Å; S48-A64 PolarHBondContact OG-O 2.03Å; A52-A64 HydrophobicContact CB-CB 4.08Å
65N59.7Low55.2Low18 Ų1877.6 Ų77.610%0.09644%0.437CS..EExtended strand (participates in β ladder)trans-117.6148.4176.2-76.9-23.8000110.6A52 F53 E55A52-N65 WeakPolarHBondContact CA-O 3.17Å; A52-N65 WeakPolarHBondContact CB-O 3.47Å; F53-N65 HydrophobicContact CD2-CB 4.18Å; F53-N65 HydrophobicContact CE1-CB 4.03Å; F53-N65 HydrophobicContact CE2-CB 3.31Å; F53-N65 HydrophobicContact CZ-CB 3.22Å; F53-N65 PolarHBondContact N-O 3.16Å; F53-N65 PolarHBondContact O-N 3.05Å; E55-N65 PolarHBondContact OE2-ND2 2.86Å
66P58.5Low54.3Low49 Ų4976.6 Ų76.632%0.31844%0.437SS..EExtended strand (participates in β ladder)trans-66.6144.1179.128.3-33.7000110.8F53 T68 A69F53-P66 WeakPolarHBondContact CE1-O 3.31Å; P66-T68 PolarHBondContact O-N 2.9Å; P66-A69 HydrophobicContact CG-CB 4.39Å; P66-A69 WeakPolarHBondContact O-CB 3.43Å; P66-A69 PolarHBondContact O-N 3.18Å
67C54.7Low53.4Low65 Ų6576.2 Ų76.244%0.43944%0.443SS..THydrogen-bonded Turntrans-58.3-7.2-178.9-65.80000116.2C51C51-C67 HydrophobicContact CB-CB 4.45Å; C51-C67 WeakPolarHBondContact CB-SG 3.49Å; C51-C67 PolarHBondContact O-SG 2.98Å; C51-C67 WeakPolarHBondContact SG-CB 3.46Å; C51-C67 CovalentContact SG-SG 2.03Å; C51-C67 PolarHBondContact SG-SG 3.29Å
68T55.3Low52.7Low132 Ų13282.4 Ų82.481%0.8147%0.468SS*.THydrogen-bonded Turntrans-92.8-7.717852.40000113.1P66P66-T68 PolarHBondContact O-N 2.9Å
69A51Low51.8Low41 Ų4176.5 Ų76.534%0.33946%0.455SS..SBendtrans-83.3137.417900000111.8F53 P66 T71F53-A69 HydrophobicContact CE1-CB 4.45Å; F53-A69 HydrophobicContact CZ-CB 4.09Å; P66-A69 HydrophobicContact CG-CB 4.39Å; P66-A69 WeakPolarHBondContact O-CB 3.43Å; P66-A69 PolarHBondContact O-N 3.18Å; A69-T71 HydrophobicContact CB-CG2 4.09Å; A69-T71 PolarHBondContact O-N 3.04Å
70I52.9Low51.3Low180 Ų18078 Ų7892%0.92347%0.471SS*.  trans-80.1107.8173.8-54.3170.7000107.5
71T52.5Low50.7Low45 Ų4575.9 Ų75.928%0.27646%0.461SS..  trans-152.2157.8-178.462.60000111F53 A69 G73F53-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F53-T71 HydrophobicContact CE2-CG2 3.74Å; F53-T71 WeakPolarHBondContact CE2-OG1 3.04Å; F53-T71 HydrophobicContact CZ-CG2 3.56Å; F53-T71 WeakPolarHBondContact CZ-OG1 3.37Å; A69-T71 HydrophobicContact CB-CG2 4.09Å; A69-T71 PolarHBondContact O-N 3.04Å; T71-G73 PolarHBondContact O-N 2.82Å; T71-G73 VanDerWaalsContact O-N 3.08Å
72D54.5Low49.5Very low160 Ų16080.1 Ų80.186%0.85649%0.488SS*.  trans-81.682.5168.4-64.8-39.8000110.4
73G51.7Low48.7Very low32 Ų3288.2 Ų88.233%0.3353%0.53SS..  trans-66.2139.2177.500000112.4T71 I75T71-G73 PolarHBondContact O-N 2.82Å; T71-G73 VanDerWaalsContact O-N 3.08Å; G73-I75 PolarHBondContact O-N 3.02Å
74L49.3Very low47.7Very low55 Ų5593.2 Ų93.229%0.28856%0.555SS.*  trans-69.9124.4174.2-74.9175.8000110.9L54 R56 L62L54-L74 PolarHBondContact O-N 3.23Å; R56-L74 HydrophobicContact CB-CD1 3.71Å; R56-L74 HydrophobicContact CB-CD2 4.26Å; R56-L74 HydrophobicContact CB-CG 4.11Å; R56-L74 HydrophobicContact CG-CD1 4.5Å; L62-L74 HydrophobicContact CD2-CD1 4.28Å
75I44.3Very low46.3Very low83 Ų8397.3 Ų97.343%0.42658%0.583SS.*  trans-88114.4171.1-49.2-179.8000107.7L11 G73L11-I75 HydrophobicContact CB-CD1 3.85Å; L11-I75 HydrophobicContact CB-CG2 4.18Å; L11-I75 HydrophobicContact CD1-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CB 4.33Å; L11-I75 HydrophobicContact CD2-CD1 4.27Å; L11-I75 HydrophobicContact CD2-CG2 3.59Å; L11-I75 HydrophobicContact CG-CD1 4.36Å; L11-I75 HydrophobicContact CG-CG2 4.48Å; G73-I75 PolarHBondContact O-N 3.02Å
76C42.8Very low45.4Very low42 Ų42105.1 Ų105.128%0.28462%0.619SS.*  trans-82.6126.8174.7-65.30000109.7W27 K78W27-C76 HydrophobicContact CH2-CB 3.26Å; W27-C76 HydrophobicContact CZ2-CB 3.95Å; W27-C76 HydrophobicContact CZ3-CB 4.15Å; C76-K78 PolarHBondContact O-N 3.15Å
77E37.6Very low44.5Very low177 Ų177109.4 Ų109.483%0.82764%0.64SS**  trans-77108.3178.4-157.5174.3-160.200109.5A79E77-A79 PolarHBondContact O-N 3.13Å
78K39.9Very low43.6Very low161 Ų161110.5 Ų110.570%0.765%0.653SS**  trans-73.5114.4164.3-176.9169.6-177.8163.20106.6D29 C76 A80D29-K78 IonicContact OD2-NZ 3.09Å; D29-K78 PolarHBondContact OD2-NZ 3.09Å; D29-K78 VanDerWaalsContact OD2-NZ 3.09Å; C76-K78 PolarHBondContact O-N 3.15Å; K78-A80 PolarHBondContact O-N 3.23Å
79A37Very low43.1Very low87 Ų87114.9 Ų114.972%0.71966%0.655SS**  trans-59102.417200000108.9E77 G81E77-A79 PolarHBondContact O-N 3.13Å; A79-G81 PolarHBondContact O-N 3.34Å
80A42.2Very low42.9Very low105 Ų105118.5 Ų118.587%0.86868%0.675SS**  trans-71.975.4169.300000107.9K78K78-A80 PolarHBondContact O-N 3.23Å
81G38.8Very low42.6Very low64 Ų64116 Ų11666%0.6667%0.672SS**  trans176.772.1-172.200000114.9A79A79-G81 PolarHBondContact O-N 3.34Å
82S31.7Very low42.9Very low103 Ų103120.2 Ų120.272%0.7269%0.687SS**  trans-147.6103.3133.558.20000109Q84S82-Q84 PolarHBondContact O-N 3.08Å
83L41.6Very low43.4Very low178 Ų178116.7 Ų116.793%0.93267%0.671SS**THydrogen-bonded Turntrans-59.180.7157.1-85.8126.6000107.9
84Q41.1Very low44.5Very low180 Ų180118.9 Ų118.984%0.84168%0.679SS**THydrogen-bonded Turntrans-176.722.3160.2-103.61655400113.9S82 Q86S82-Q84 PolarHBondContact O-N 3.08Å; Q84-Q86 PolarHBondContact O-N 2.73Å; Q84-Q86 VanDerWaalsContact O-N 3.14Å
85S34.8Very low45.9Very low86 Ų86116.6 Ų116.660%0.60167%0.668SS**  trans-80.790.9160.1-175.10000109.3N87 A88S85-N87 PolarHBondContact O-N 3.32Å; S85-A88 PolarHBondContact O-N 2.76Å
86Q40.4Very low47.4Very low182 Ų182116.5 Ų116.585%0.8568%0.68SS**THydrogen-bonded Turntrans-6526.4166.1-79.4-78.1-13.700113Q84Q84-Q86 PolarHBondContact O-N 2.73Å; Q84-Q86 VanDerWaalsContact O-N 3.14Å
87N39.7Very low49Very low140 Ų140120.3 Ų120.375%0.74970%0.696SS**THydrogen-bonded Turntrans-143.533.8176.8-88.8-30.5000112.3S85 R89S85-N87 PolarHBondContact O-N 3.32Å; N87-R89 PolarHBondContact O-N 3.24Å
88A36.1Very low51Low87 Ų87113.3 Ų113.372%0.71966%0.662SS**  trans-6592.2154.200000107.4S85 P90S85-A88 PolarHBondContact O-N 2.76Å; A88-P90 VanDerWaalsContact O-N 3.16Å
89R46.1Very low52.8Low225 Ų225111.3 Ų111.385%0.84966%0.664SS**  trans-55124.1167-73.9-176.3178.1-176-0.6106.2N87 C91N87-R89 PolarHBondContact O-N 3.24Å; R89-C91 PolarHBondContact O-N 2.82Å
90P45Very low54.7Low116 Ų116109.2 Ų109.275%0.75364%0.644SS**  trans-55141.6177.322.1-31.4000108.5A88 K92A88-P90 VanDerWaalsContact O-N 3.16Å; P90-K92 PolarHBondContact O-N 3.15Å; P90-K92 VanDerWaalsContact O-N 3.13Å
91C46.6Very low56.5Low127 Ų127105.2 Ų105.286%0.85861%0.609SS**  trans-44.8125.5173.9-65.40000108.6R89 T93R89-C91 PolarHBondContact O-N 2.82Å; C91-T93 PolarHBondContact O-N 2.99Å
92K59.8Low58.4Low135 Ų135105.4 Ų105.459%0.58760%0.604SS**PPolyproline II helixtrans-57.3131.3-179.3-71.4-172.1-178.2-172.80108.8P90 P94 E110P90-K92 PolarHBondContact O-N 3.15Å; P90-K92 VanDerWaalsContact O-N 3.13Å; K92-P94 WeakPolarHBondContact O-CD 3.29Å; K92-E110 WeakPolarHBondContact CD-OE1 2.95Å; K92-E110 IonicContact NZ-OE1 2.68Å; K92-E110 PolarHBondContact NZ-OE1 2.95Å; K92-E110 IonicContact NZ-OE2 3.87Å; K92-E110 PolarHBondContact NZ-OE2 2.84Å
93T64.6Low60.6Low86 Ų86105 Ų10553%0.52860%0.595SS.*PPolyproline II helixtrans-62.9121.1176.3-500000109.1C91 L97C91-T93 PolarHBondContact O-N 2.99Å; T93-L97 HydrophobicContact CG2-CB 4.06Å; T93-L97 HydrophobicContact CG2-CD1 3.93Å
94P74.5Confident62.4Low77 Ų7796.6 Ų96.650%0.555%0.55SS.*PPolyproline II helixtrans-59.9143.1-17721.4-32.1000111.4K92 A96 L97K92-P94 WeakPolarHBondContact O-CD 3.29Å; P94-A96 PolarHBondContact O-N 3.41Å; P94-A96 VanDerWaalsContact O-N 3.09Å; P94-L97 HydrophobicContact CG-CD1 3.67Å; P94-L97 HydrophobicContact CG-CG 4Å; P94-L97 PolarHBondContact O-N 3.31Å
95C78.7Confident64.1Low7 Ų788.9 Ų88.95%0.04752%0.515CS..G310 helixtrans-53.6-34-177.6-59.90000112.6L97 R98 C111 C120C95-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact O-N 3.15Å; C95-R98 VanDerWaalsContact O-CB 3.3Å; C95-R98 WeakPolarHBondContact O-CB 3.48Å; C95-R98 PolarHBondContact O-N 2.75Å; C95-C111 HydrophobicContact CB-CB 3.7Å; C95-C111 WeakPolarHBondContact CB-SG 3.07Å; C95-C111 VanDerWaalsContact SG-CA 3.56Å; C95-C111 WeakPolarHBondContact SG-CB 3.3Å; C95-C111 CovalentContact SG-SG 2.02Å; C95-C111 PolarHBondContact SG-SG 3.09Å; C95-C120 CarbonylContact C-O 3.48Å; C95-C120 VanDerWaalsContact O-CB 3.25Å; C95-C120 WeakPolarHBondContact O-CB 3.38Å; C95-C120 PolarHBondContact O-SG 2.94Å; C95-C120 VanDerWaalsContact O-SG 3.39Å
96A76.3Confident65.8Low82 Ų8288.5 Ų88.568%0.67851%0.513SS*.G310 helixtrans-60-23.9179.100000114.6P94 R98 C120P94-A96 PolarHBondContact O-N 3.41Å; P94-A96 VanDerWaalsContact O-N 3.09Å; A96-R98 VanDerWaalsContact C-N 3.28Å; A96-C120 WeakPolarHBondContact CA-O 3.48Å
97L76.1Confident66.9Low121 Ų12183.8 Ų83.863%0.63449%0.491SS*.G310 helixtrans-82.8-6.6176.7-66.5175.7000112.8T93 P94 C95 T99T93-L97 HydrophobicContact CG2-CB 4.06Å; T93-L97 HydrophobicContact CG2-CD1 3.93Å; P94-L97 HydrophobicContact CG-CD1 3.67Å; P94-L97 HydrophobicContact CG-CG 4Å; P94-L97 PolarHBondContact O-N 3.31Å; C95-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact O-N 3.15Å; L97-T99 PolarHBondContact O-N 2.56Å
98R80.1Confident67.8Low30 Ų3080 Ų8011%0.11348%0.479CS..  trans-90100.7178.9-54.5177.8179.6-161.99.8108.7C95 A96 N103 C104 S106 C120C95-R98 VanDerWaalsContact O-CB 3.3Å; C95-R98 WeakPolarHBondContact O-CB 3.48Å; C95-R98 PolarHBondContact O-N 2.75Å; A96-R98 VanDerWaalsContact C-N 3.28Å; R98-N103 HydrophobicContact CB-CB 4.42Å; R98-N103 WeakPolarHBondContact CD-O 3.05Å; R98-N103 PolarHBondContact NH1-O 2.02Å; R98-N103 VanDerWaalsContact NH1-O 3.09Å; R98-C104 HydrophobicContact CB-CB 4.48Å; R98-S106 PolarHBondContact NH1-OG 2.89Å; R98-C120 HydrophobicContact CB-CB 4.03Å; R98-C120 WeakPolarHBondContact O-CB 3.25Å
99T77.3Confident68.8Low119 Ų11982.8 Ų82.873%0.7348%0.479SS*.  trans-88.51.3-173.951.70000114.5L97 W113L97-T99 PolarHBondContact O-N 2.56Å; T99-W113 WeakPolarHBondContact O-CH2 3.05Å
100S78.1Confident70Confident44 Ų4475 Ų7531%0.30845%0.452SS..SBendtrans-131.8142.4-177.966.40000111.2A102 N103 C104S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 2.8Å; S100-N103 PolarHBondContact O-N 2.72Å; S100-N103 VanDerWaalsContact O-N 3.11Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.2Å; S100-N103 PolarHBondContact OG-ND2 2.68Å; S100-N103 VanDerWaalsContact OG-ND2 3.15Å; S100-C104 PolarHBondContact O-N 2.63Å
101C78.6Confident71.7Confident20 Ų2069.5 Ų69.514%0.13542%0.417CS..Hα-helixtrans-50.8-49.8179.9-172.20000112.9N103 C104 T105 W113 C143C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.03Å; C101-C104 WeakPolarHBondContact O-CA 3.33Å; C101-C104 WeakPolarHBondContact O-CB 3.18Å; C101-C104 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-OG1 3.07Å; C101-T105 VanDerWaalsContact O-OG1 3.11Å; C101-W113 HydrophobicContact CB-CD2 3.84Å; C101-W113 HydrophobicContact CB-CG 3.79Å; C101-W113 HydrophobicContact CB-CZ2 4.27Å; C101-C143 HydrophobicContact CB-CB 3.83Å; C101-C143 WeakPolarHBondContact CB-SG 3.39Å; C101-C143 WeakPolarHBondContact SG-CB 3.42Å; C101-C143 CovalentContact SG-SG 2.02Å; C101-C143 PolarHBondContact SG-SG 3.17Å
102A78.8Confident73.3Confident68 Ų6864.3 Ų64.356%0.56238%0.38SS*.Hα-helixtrans-60.5-38.2-178.500000113.3S100 S106S100-A102 VanDerWaalsContact C-N 3.34Å; S100-A102 PolarHBondContact O-N 2.8Å; A102-S106 PolarHBondContact O-N 3.02Å
103N78.6Confident74.5Confident96 Ų9658.2 Ų58.251%0.51335%0.353SS..Hα-helixtrans-73.2-33.7174.7-76.1-29.7000112R98 S100 C101 S106R98-N103 HydrophobicContact CB-CB 4.42Å; R98-N103 WeakPolarHBondContact CD-O 3.05Å; R98-N103 PolarHBondContact NH1-O 2.02Å; R98-N103 VanDerWaalsContact NH1-O 3.09Å; S100-N103 PolarHBondContact O-N 2.72Å; S100-N103 VanDerWaalsContact O-N 3.11Å; S100-N103 VanDerWaalsContact OG-CB 3.32Å; S100-N103 WeakPolarHBondContact OG-CB 3.2Å; S100-N103 PolarHBondContact OG-ND2 2.68Å; S100-N103 VanDerWaalsContact OG-ND2 3.15Å; C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.03Å; N103-S106 PolarHBondContact O-OG 3.34Å
104C79.3Confident75.3Confident0 Ų054.2 Ų54.20%033%0.329CS..Hα-helixtrans-65.9-44.5177.6-170.40000111.6R98 S100 C101 S106 C111 W113 C120R98-C104 HydrophobicContact CB-CB 4.48Å; S100-C104 PolarHBondContact O-N 2.63Å; C101-C104 WeakPolarHBondContact O-CA 3.33Å; C101-C104 WeakPolarHBondContact O-CB 3.18Å; C101-C104 PolarHBondContact O-N 3.46Å; C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 3.43Å; C104-C111 WeakPolarHBondContact O-CB 2.96Å; C104-W113 HydrophobicContact CB-CB 4.01Å; C104-W113 HydrophobicContact CB-CD2 4.43Å; C104-W113 HydrophobicContact CB-CE3 3.82Å; C104-W113 PolarHBondContact SG-N 3.22Å; C104-C120 VanDerWaalsContact CA-SG 3.51Å; C104-C120 HydrophobicContact CB-CB 3.65Å; C104-C120 WeakPolarHBondContact CB-SG 3.15Å; C104-C120 VanDerWaalsContact SG-CA 3.56Å; C104-C120 WeakPolarHBondContact SG-CB 3.17Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 2.86Å
105T77.6Confident75.4Confident18 Ų1851 Ų5111%0.1131%0.31CS..THydrogen-bonded Turntrans-872-176.960.80000114.2C101 Q107 W113C101-T105 PolarHBondContact O-N 3.46Å; C101-T105 PolarHBondContact O-OG1 3.07Å; C101-T105 VanDerWaalsContact O-OG1 3.11Å; T105-Q107 PolarHBondContact O-N 3.36Å; T105-W113 HydrophobicContact CG2-CB 4.37Å
106S69.3Low75.2Confident79 Ų7953.1 Ų53.155%0.55233%0.325SS*.THydrogen-bonded Turntrans-63.1-22.9-179.464.60000114.2R98 A102 N103 C104R98-S106 PolarHBondContact NH1-OG 2.89Å; A102-S106 PolarHBondContact O-N 3.02Å; N103-S106 PolarHBondContact O-OG 3.34Å; C104-S106 VanDerWaalsContact C-N 3.34Å; C104-S106 PolarHBondContact O-N 3.43Å
107Q64.9Low75.2Confident83 Ų8351.5 Ų51.539%0.38831%0.306SS..SBendtrans-120.698173.2-74.1171.5-17.600107.9T105 M109 E110T105-Q107 PolarHBondContact O-N 3.36Å; Q107-M109 PolarHBondContact O-N 2.94Å; Q107-E110 PolarHBondContact O-N 3.35Å
108A57.4Low75.3Confident61 Ų6151.7 Ų51.750%0.50430%0.304SS..THydrogen-bonded Turntrans-56.5129.3-177.700000110.6E110 Q141A108-E110 PolarHBondContact O-N 3.3Å; A108-Q141 HydrophobicContact CB-CG 4.36Å
109M57.7Low75.2Confident144 Ų14458.1 Ų58.171%0.70933%0.328SS*.THydrogen-bonded Turntrans79.5-4.8174.2-48.5-146.5-73.500118.4Q107 S123Q107-M109 PolarHBondContact O-N 2.94Å; M109-S123 PolarHBondContact O-OG 3.01Å
110E71.6Confident75.6Confident62 Ų6252.7 Ų52.729%0.2930%0.295SS..THydrogen-bonded Turntrans-91.3-38175.5-163.3163.5-168.200111.9K92 Q107 A108 S123K92-E110 WeakPolarHBondContact CD-OE1 2.95Å; K92-E110 IonicContact NZ-OE1 2.68Å; K92-E110 PolarHBondContact NZ-OE1 2.95Å; K92-E110 IonicContact NZ-OE2 3.87Å; K92-E110 PolarHBondContact NZ-OE2 2.84Å; Q107-E110 PolarHBondContact O-N 3.35Å; A108-E110 PolarHBondContact O-N 3.3Å; E110-S123 PolarHBondContact O-N 3.11Å; E110-S123 VanDerWaalsContact O-N 3.12Å; E110-S123 PolarHBondContact O-OG 3.29Å
111C79.7Confident75.7Confident0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-123152.2177.6-51.80000111.9C95 C104 C120 V121C95-C111 HydrophobicContact CB-CB 3.7Å; C95-C111 WeakPolarHBondContact CB-SG 3.07Å; C95-C111 VanDerWaalsContact SG-CA 3.56Å; C95-C111 WeakPolarHBondContact SG-CB 3.3Å; C95-C111 CovalentContact SG-SG 2.02Å; C95-C111 PolarHBondContact SG-SG 3.09Å; C104-C111 WeakPolarHBondContact O-CB 2.96Å; C111-C120 VanDerWaalsContact CB-SG 3.55Å; C111-V121 CarbonylContact C-O 3.58Å; C111-V121 WeakPolarHBondContact CA-O 2.99Å
112M80Confident75.7Confident18 Ų1853 Ų539%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-124.1128.2177.7-53.4-165-60.700110C120 V121 Y126 W138 T140M112-C120 WeakPolarHBondContact O-CA 3.36Å; M112-V121 HydrophobicContact CB-CG2 4.38Å; M112-V121 PolarHBondContact N-O 3.21Å; M112-V121 PolarHBondContact O-N 3.31Å; M112-Y126 HydrophobicContact CE-CD1 4.31Å; M112-Y126 HydrophobicContact CE-CD2 3.49Å; M112-Y126 VanDerWaalsContact CE-CD2 3.49Å; M112-Y126 HydrophobicContact CE-CE2 4.45Å; M112-Y126 HydrophobicContact CE-CG 3.4Å; M112-Y126 VanDerWaalsContact CE-CG 3.4Å; M112-W138 HydrophobicContact CB-CE3 4.43Å; M112-W138 HydrophobicContact CG-CE3 4.38Å; M112-W138 HydrophobicContact SD-CD2 4.14Å; M112-W138 HydrophobicContact SD-CE3 3.83Å; M112-W138 HydrophobicContact SD-CH2 4.4Å; M112-W138 HydrophobicContact SD-CZ3 3.99Å; M112-T140 HydrophobicContact CB-CG2 4.34Å; M112-T140 HydrophobicContact CG-CG2 3.73Å; M112-T140 HydrophobicContact SD-CG2 4.29Å
113W85.8Confident75.6Confident8 Ų852.3 Ų52.33%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-92.5124.9178.4178.3-105.7000110.7T99 C101 C104 T105 Q118 C120 W138 Q139T99-W113 WeakPolarHBondContact O-CH2 3.05Å; C101-W113 HydrophobicContact CB-CD2 3.84Å; C101-W113 HydrophobicContact CB-CG 3.79Å; C101-W113 HydrophobicContact CB-CZ2 4.27Å; C104-W113 HydrophobicContact CB-CB 4.01Å; C104-W113 HydrophobicContact CB-CD2 4.43Å; C104-W113 HydrophobicContact CB-CE3 3.82Å; C104-W113 PolarHBondContact SG-N 3.22Å; T105-W113 HydrophobicContact CG2-CB 4.37Å; W113-Q118 HydrophobicContact CH2-CB 4.17Å; W113-Q118 VanDerWaalsContact CH2-O 3.26Å; W113-Q118 WeakPolarHBondContact CH2-O 3.38Å; W113-Q118 HydrophobicContact CZ2-CB 4.09Å; W113-C120 HydrophobicContact CE3-CB 3.83Å; W113-C120 HydrophobicContact CZ3-CB 4.14Å; W113-W138 CarbonylContact O-C 3.55Å; W113-W138 WeakPolarHBondContact O-CA 3.45Å; W113-Q139 PolarHBondContact N-O 3.37Å; W113-Q139 PolarHBondContact O-N 3.35Å
114C81.7Confident75.3Confident1 Ų152.8 Ų52.81%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-95.3110.9170.7-1720000110.9S116 T117 Q118 R119 F130 C135C114-S116 PolarHBondContact O-N 3.23Å; C114-S116 PolarHBondContact SG-OG 2.79Å; C114-T117 WeakPolarHBondContact CB-OG1 3.26Å; C114-T117 PolarHBondContact SG-OG1 2.92Å; C114-Q118 WeakPolarHBondContact O-CA 3.32Å; C114-Q118 PolarHBondContact O-N 2.02Å; C114-R119 PolarHBondContact N-O 3.14Å; C114-R119 PolarHBondContact O-N 2.92Å; C114-F130 HydrophobicContact CB-CE1 4.31Å; C114-F130 HydrophobicContact CB-CE2 3.87Å; C114-F130 HydrophobicContact CB-CZ 3.52Å; C114-C135 VanDerWaalsContact CA-SG 3.53Å; C114-C135 HydrophobicContact CB-CB 4.05Å; C114-C135 WeakPolarHBondContact CB-SG 3.37Å; C114-C135 WeakPolarHBondContact SG-CA 3.4Å; C114-C135 WeakPolarHBondContact SG-CB 3.34Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.17Å
115G76.4Confident75.1Confident11 Ų1154.2 Ų54.211%0.11331%0.306CS..THydrogen-bonded Turntrans-65.6-38179.900000113.3T117 Q118G115-T117 PolarHBondContact O-N 3.47Å; G115-Q118 PolarHBondContact O-NE2 3.48Å
116S75.1Confident74.8Confident50 Ų5055.5 Ų55.535%0.3531%0.31SS..THydrogen-bonded Turntrans-68.7-33.1-177.356.70000114.2C114 M136C114-S116 PolarHBondContact O-N 3.23Å; C114-S116 PolarHBondContact SG-OG 2.79Å; S116-M136 PolarHBondContact OG-N 3.29Å
117T75.7Confident74.8Confident48 Ų4857.4 Ų57.429%0.29432%0.318SS..THydrogen-bonded Turntrans-106.9-3179.7610000113.4C114 G115 R119 F130C114-T117 WeakPolarHBondContact CB-OG1 3.26Å; C114-T117 PolarHBondContact SG-OG1 2.92Å; G115-T117 PolarHBondContact O-N 3.47Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.78Å; T117-F130 HydrophobicContact CG2-CD1 4.44Å; T117-F130 HydrophobicContact CG2-CE1 3.87Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.33Å; T117-F130 WeakPolarHBondContact OG1-CZ 3.48Å
118Q78.5Confident74.9Confident126 Ų12660.3 Ų60.359%0.58933%0.334SS*.THydrogen-bonded Turntrans52.841.7-176.1-62-74-60.200112.7W113 C114 G115W113-Q118 HydrophobicContact CH2-CB 4.17Å; W113-Q118 VanDerWaalsContact CH2-O 3.26Å; W113-Q118 WeakPolarHBondContact CH2-O 3.38Å; W113-Q118 HydrophobicContact CZ2-CB 4.09Å; C114-Q118 WeakPolarHBondContact O-CA 3.32Å; C114-Q118 PolarHBondContact O-N 2.02Å; G115-Q118 PolarHBondContact O-NE2 3.48Å
119R78.3Confident75.5Confident164 Ų16459.7 Ų59.762%0.61933%0.326SS*.EExtended strand (participates in β ladder)trans-125.9139.7-178.1-73.7179.2-176.4176.81.3111.5C114 T117 F130C114-R119 PolarHBondContact N-O 3.14Å; C114-R119 PolarHBondContact O-N 2.92Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.78Å; R119-F130 HydrophobicContact CB-CZ 4.26Å
120C83.9Confident76.2Confident6 Ų653.3 Ų53.34%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-97.7127.7170.8-171.70000109.4C95 A96 R98 C104 C111 M112 W113C95-C120 CarbonylContact C-O 3.48Å; C95-C120 VanDerWaalsContact O-CB 3.25Å; C95-C120 WeakPolarHBondContact O-CB 3.38Å; C95-C120 PolarHBondContact O-SG 2.94Å; C95-C120 VanDerWaalsContact O-SG 3.39Å; A96-C120 WeakPolarHBondContact CA-O 3.48Å; R98-C120 HydrophobicContact CB-CB 4.03Å; R98-C120 WeakPolarHBondContact O-CB 3.25Å; C104-C120 VanDerWaalsContact CA-SG 3.51Å; C104-C120 HydrophobicContact CB-CB 3.65Å; C104-C120 WeakPolarHBondContact CB-SG 3.15Å; C104-C120 VanDerWaalsContact SG-CA 3.56Å; C104-C120 WeakPolarHBondContact SG-CB 3.17Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 2.86Å; C111-C120 VanDerWaalsContact CB-SG 3.55Å; M112-C120 WeakPolarHBondContact O-CA 3.36Å; W113-C120 HydrophobicContact CE3-CB 3.83Å; W113-C120 HydrophobicContact CZ3-CB 4.14Å
121V81.8Confident75.5Confident15 Ų1552.9 Ų52.99%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-126.6155.1-179.7-60.30000110.2C111 M112 Y126 F130C111-V121 CarbonylContact C-O 3.58Å; C111-V121 WeakPolarHBondContact CA-O 2.99Å; M112-V121 HydrophobicContact CB-CG2 4.38Å; M112-V121 PolarHBondContact N-O 3.21Å; M112-V121 PolarHBondContact O-N 3.31Å; V121-Y126 HydrophobicContact CG2-CD2 3.95Å; V121-F130 HydrophobicContact CB-CE2 4.31Å; V121-F130 HydrophobicContact CG1-CE2 3.62Å; V121-F130 HydrophobicContact CG1-CZ 3.91Å; V121-F130 HydrophobicContact CG2-CD2 4.33Å; V121-F130 HydrophobicContact CG2-CE2 3.69Å
122D78.6Confident74.6Confident55 Ų5564 Ų6429%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-67.1142.4172.8-167.3-79.8000110.1S124 A125 Y126D122-S124 PolarHBondContact O-N 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.12Å; D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact O-N 3.27Å; D122-Y126 PolarHBondContact O-N 3.46Å
123S75.4Confident73.9Confident54 Ų5465.3 Ų65.338%0.37836%0.359SS..G310 helixtrans-59.7-33.6-179.760.70000112.5M109 E110 A125M109-S123 PolarHBondContact O-OG 3.01Å; E110-S123 PolarHBondContact O-N 3.11Å; E110-S123 VanDerWaalsContact O-N 3.12Å; E110-S123 PolarHBondContact O-OG 3.29Å; S123-A125 VanDerWaalsContact C-N 3.34Å
124S73.7Confident73Confident105 Ų10570.3 Ų70.373%0.73438%0.382SS*.G310 helixtrans-75.5-18.9176.169.40000114.1D122D122-S124 PolarHBondContact O-N 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.39Å; D122-S124 PolarHBondContact OD1-N 3.49Å; D122-S124 PolarHBondContact OD1-OG 3.12Å
125A74.3Confident72.7Confident30 Ų3070.6 Ų70.625%0.24838%0.384CS..G310 helixtrans-106.11.7-17500000114.1D122 S123 V127 I128 S129D122-A125 HydrophobicContact CB-CB 4.01Å; D122-A125 PolarHBondContact O-N 3.27Å; S123-A125 VanDerWaalsContact C-N 3.34Å; A125-V127 PolarHBondContact O-N 3.24Å; A125-I128 PolarHBondContact O-N 3.39Å; A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 2.98Å; A125-S129 PolarHBondContact O-N 3.48Å; A125-S129 PolarHBondContact O-OG 3.25Å
126Y70.7Confident72.3Confident46 Ų4677.6 Ų77.618%0.1842%0.416CS..Hα-helixtrans-58.4-45.4-174.5175.4-94000114.1M112 V121 D122 I128 S129 F130 C135 W138M112-Y126 HydrophobicContact CE-CD1 4.31Å; M112-Y126 HydrophobicContact CE-CD2 3.49Å; M112-Y126 VanDerWaalsContact CE-CD2 3.49Å; M112-Y126 HydrophobicContact CE-CE2 4.45Å; M112-Y126 HydrophobicContact CE-CG 3.4Å; M112-Y126 VanDerWaalsContact CE-CG 3.4Å; V121-Y126 HydrophobicContact CG2-CD2 3.95Å; D122-Y126 PolarHBondContact O-N 3.46Å; Y126-I128 PolarHBondContact O-N 3.23Å; Y126-S129 PolarHBondContact O-N 3.17Å; Y126-S129 VanDerWaalsContact O-N 3.14Å; Y126-F130 AromaticContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CE2 4.05Å; Y126-F130 AromaticContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CE2 4.07Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.39Å; Y126-F130 PolarHBondContact O-N 3.3Å; Y126-C135 HydrophobicContact CE2-CB 4Å; Y126-W138 HydrophobicContact CE2-CB 4.16Å; Y126-W138 AromaticContact CE2-CD1 3.79Å; Y126-W138 HydrophobicContact CE2-CG 4.12Å; Y126-W138 AromaticContact CZ-CD1 3.64Å
127V70.3Confident72.2Confident119 Ų11977.9 Ų77.972%0.72141%0.412SS*.Hα-helixtrans-62.2-35.7-178.4-179.60000111.3A125A125-V127 PolarHBondContact O-N 3.24Å
128I66.6Low72.2Confident143 Ų14381.2 Ų81.273%0.73342%0.419SS*.Hα-helixtrans-80.6-32.5178.5-54.7172.6000110.6A125 Y126A125-I128 PolarHBondContact O-N 3.39Å; Y126-I128 PolarHBondContact O-N 3.23Å
129S70.1Confident72Confident49 Ų4976.7 Ų76.734%0.34340%0.398SS..Hα-helixtrans-78.3-27.4-177.8-57.30000113.5A125 Y126A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 2.98Å; A125-S129 PolarHBondContact O-N 3.48Å; A125-S129 PolarHBondContact O-OG 3.25Å; Y126-S129 PolarHBondContact O-N 3.17Å; Y126-S129 VanDerWaalsContact O-N 3.14Å
130F71.4Confident71.7Confident10 Ų1070.4 Ų70.44%0.04438%0.378CS..SBendtrans-12967178.6-60.9-66.4000111.8C114 T117 R119 V121 Y126 G133 Q134 C135C114-F130 HydrophobicContact CB-CE1 4.31Å; C114-F130 HydrophobicContact CB-CE2 3.87Å; C114-F130 HydrophobicContact CB-CZ 3.52Å; T117-F130 HydrophobicContact CG2-CD1 4.44Å; T117-F130 HydrophobicContact CG2-CE1 3.87Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.33Å; T117-F130 WeakPolarHBondContact OG1-CZ 3.48Å; R119-F130 HydrophobicContact CB-CZ 4.26Å; V121-F130 HydrophobicContact CB-CE2 4.31Å; V121-F130 HydrophobicContact CG1-CE2 3.62Å; V121-F130 HydrophobicContact CG1-CZ 3.91Å; V121-F130 HydrophobicContact CG2-CD2 4.33Å; V121-F130 HydrophobicContact CG2-CE2 3.69Å; Y126-F130 AromaticContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CD2 3.59Å; Y126-F130 HydrophobicContact CD2-CE2 4.05Å; Y126-F130 AromaticContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CD2 3.54Å; Y126-F130 HydrophobicContact CE2-CE2 4.07Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.39Å; Y126-F130 PolarHBondContact O-N 3.3Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-Q134 HydrophobicContact CB-CB 4.3Å; F130-Q134 HydrophobicContact CD1-CB 4.06Å; F130-C135 HydrophobicContact CB-CB 4.14Å; F130-C135 HydrophobicContact CD1-CB 3.9Å; F130-C135 HydrophobicContact CD2-CB 3.75Å; F130-C135 HydrophobicContact CE1-CB 4.22Å; F130-C135 HydrophobicContact CE2-CB 4.04Å; F130-C135 HydrophobicContact CG-CB 3.66Å; F130-C135 HydrophobicContact CZ-CB 4.27Å
131P57.7Low70.7Confident53 Ų5376.7 Ų76.734%0.34441%0.407SS..G310 helixtrans-60143.117527.7-33.9000109.8G133 Q134P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.37Å; P131-Q134 VanDerWaalsContact O-CG 3.3Å; P131-Q134 WeakPolarHBondContact O-CG 3.3Å
132Y61.7Low70Confident233 Ų23382.5 Ų82.591%0.91443%0.433SS*.G310 helixtrans63.620.4-179.3-45.1-73.5000115.9
133G65.1Low69.2Low45 Ų4582.4 Ų82.446%0.46444%0.436SS..G310 helixtrans73.730.7174.200000113.8F130 P131 C135F130-G133 PolarHBondContact O-N 2.97Å; P131-G133 VanDerWaalsContact C-N 3.26Å; P131-G133 PolarHBondContact O-N 3.37Å; G133-C135 CarbonylContact O-C 3.53Å; G133-C135 PolarHBondContact O-N 2.95Å
134Q67.1Low68.3Low113 Ų11383.1 Ų83.153%0.52844%0.441SS..  trans-55.8-21175.6-74.51712.700113.9F130 P131F130-Q134 HydrophobicContact CB-CB 4.3Å; F130-Q134 HydrophobicContact CD1-CB 4.06Å; P131-Q134 VanDerWaalsContact O-CG 3.3Å; P131-Q134 WeakPolarHBondContact O-CG 3.3Å
135C75.4Confident67.4Low7 Ų781.7 Ų81.75%0.04744%0.443CS..  trans-95.5110.8169.6-169.70000110.8C114 Y126 F130 G133 E137C114-C135 VanDerWaalsContact CA-SG 3.53Å; C114-C135 HydrophobicContact CB-CB 4.05Å; C114-C135 WeakPolarHBondContact CB-SG 3.37Å; C114-C135 WeakPolarHBondContact SG-CA 3.4Å; C114-C135 WeakPolarHBondContact SG-CB 3.34Å; C114-C135 CovalentContact SG-SG 2.02Å; C114-C135 PolarHBondContact SG-SG 3.17Å; Y126-C135 HydrophobicContact CE2-CB 4Å; F130-C135 HydrophobicContact CB-CB 4.14Å; F130-C135 HydrophobicContact CD1-CB 3.9Å; F130-C135 HydrophobicContact CD2-CB 3.75Å; F130-C135 HydrophobicContact CE1-CB 4.22Å; F130-C135 HydrophobicContact CE2-CB 4.04Å; F130-C135 HydrophobicContact CG-CB 3.66Å; F130-C135 HydrophobicContact CZ-CB 4.27Å; G133-C135 CarbonylContact O-C 3.53Å; G133-C135 PolarHBondContact O-N 2.95Å; C135-E137 PolarHBondContact SG-O 3.27Å
136M66.6Low66Low158 Ų15886.4 Ų86.478%0.77846%0.457SS*.SBendtrans-72.6-28.8-177.3-63.6-68.4-84.600113.3S116S116-M136 PolarHBondContact OG-N 3.29Å
137E72.9Confident64.6Low56 Ų5688.8 Ų88.826%0.26248%0.48SS..  trans-157.9139.7175.7-172.6178.8-16500109.2C135 K146C135-E137 PolarHBondContact SG-O 3.27Å; E137-K146 WeakPolarHBondContact OE1-CD 3.35Å; E137-K146 IonicContact OE1-NZ 2.83Å; E137-K146 PolarHBondContact OE1-NZ 3.13Å
138W75.8Confident63.3Low119 Ų11987.9 Ų87.945%0.45146%0.464SS..EExtended strand (participates in β ladder)trans-122.4151.8176.759.7-95.3000111.5M112 W113 Y126 T140M112-W138 HydrophobicContact CB-CE3 4.43Å; M112-W138 HydrophobicContact CG-CE3 4.38Å; M112-W138 HydrophobicContact SD-CD2 4.14Å; M112-W138 HydrophobicContact SD-CE3 3.83Å; M112-W138 HydrophobicContact SD-CH2 4.4Å; M112-W138 HydrophobicContact SD-CZ3 3.99Å; W113-W138 CarbonylContact O-C 3.55Å; W113-W138 WeakPolarHBondContact O-CA 3.45Å; Y126-W138 HydrophobicContact CE2-CB 4.16Å; Y126-W138 AromaticContact CE2-CD1 3.79Å; Y126-W138 HydrophobicContact CE2-CG 4.12Å; Y126-W138 AromaticContact CZ-CD1 3.64Å; W138-T140 HydrophobicContact CE3-CG2 3.87Å; W138-T140 HydrophobicContact CZ3-CG2 3.55Å
139Q74.8Confident62Low30 Ų3085.6 Ų85.614%0.1446%0.46CS..EExtended strand (participates in β ladder)trans-132.6141.3-175.6-64.1171.4-4.500110.6W113 E142W113-Q139 PolarHBondContact N-O 3.37Å; W113-Q139 PolarHBondContact O-N 3.35Å; Q139-E142 PolarHBondContact OE1-O 3.31Å; Q139-E142 VanDerWaalsContact OE1-O 3.09Å
140T71.9Confident60.6Low32 Ų3286.8 Ų86.820%0.19648%0.48CS..SBendtrans-120.3-13-179.546.10000114.4M112 W138M112-T140 HydrophobicContact CB-CG2 4.34Å; M112-T140 HydrophobicContact CG-CG2 3.73Å; M112-T140 HydrophobicContact SD-CG2 4.29Å; W138-T140 HydrophobicContact CE3-CG2 3.87Å; W138-T140 HydrophobicContact CZ3-CG2 3.55Å
141Q63.3Low59Low139 Ų13991 Ų9165%0.6551%0.508SS*.SBendtrans-137.7-36.7-171.7-66.2-176-6.100113.7A108A108-Q141 HydrophobicContact CB-CG 4.36Å
142E66.1Low58.1Low136 Ų13690.9 Ų90.964%0.63651%0.508SS*.  trans-132.7120.7-173.1-155.7173.7166.900112.5Q139 S144Q139-E142 PolarHBondContact OE1-O 3.31Å; Q139-E142 VanDerWaalsContact OE1-O 3.09Å; E142-S144 WeakPolarHBondContact CG-OG 3.45Å; E142-S144 PolarHBondContact O-N 2.97Å; E142-S144 PolarHBondContact OE1-OG 3.06Å
143C62.7Low57Low53 Ų5386.2 Ų86.236%0.35851%0.508SS..  trans-91.231.6179-60.50000112.2C101 G145C101-C143 HydrophobicContact CB-CB 3.83Å; C101-C143 WeakPolarHBondContact CB-SG 3.39Å; C101-C143 WeakPolarHBondContact SG-CB 3.42Å; C101-C143 CovalentContact SG-SG 2.02Å; C101-C143 PolarHBondContact SG-SG 3.17Å; C143-G145 PolarHBondContact O-N 3.05Å; C143-G145 VanDerWaalsContact O-N 3.17Å
144S56Low55.5Low69 Ų6992.3 Ų92.348%0.48352%0.524SS..  trans-71.2111179.2-720000108.4E142 K146E142-S144 WeakPolarHBondContact CG-OG 3.45Å; E142-S144 PolarHBondContact O-N 2.97Å; E142-S144 PolarHBondContact OE1-OG 3.06Å; S144-K146 PolarHBondContact O-N 3.41Å
145G54.2Low53.8Low75 Ų7597.1 Ų97.177%0.77354%0.538SS*.  trans-55.896.9-169.600000113.2C143 C147C143-G145 PolarHBondContact O-N 3.05Å; C143-G145 VanDerWaalsContact O-N 3.17Å; G145-C147 PolarHBondContact O-N 3.49Å
146K46.5Very low51.9Low129 Ų129100.9 Ų100.956%0.56158%0.577SS**  trans-73.5104.7160.1-67.3-176.6-175.5176.60106.9E137 S144 Y148E137-K146 WeakPolarHBondContact OE1-CD 3.35Å; E137-K146 IonicContact OE1-NZ 2.83Å; E137-K146 PolarHBondContact OE1-NZ 3.13Å; S144-K146 PolarHBondContact O-N 3.41Å; K146-Y148 PolarHBondContact O-N 3.18Å; K146-Y148 VanDerWaalsContact O-N 3.12Å
147C41.4Very low50.2Low97 Ų97103.8 Ų103.866%0.65558%0.58SS**  trans-59.7114.5172.7-82.70000109.4G145G145-C147 PolarHBondContact O-N 3.49Å
148Y41.6Very low48.4Very low100 Ų100111 Ų11139%0.39261%0.613SS.*  trans-64.6134161.3-60.7-79.6000107.6K146 G150 P151K146-Y148 PolarHBondContact O-N 3.18Å; K146-Y148 VanDerWaalsContact O-N 3.12Å; Y148-G150 PolarHBondContact O-N 2.82Å; Y148-P151 WeakPolarHBondContact O-CD 3.37Å
149C38.8Very low46.6Very low95 Ų95108.6 Ų108.664%0.64263%0.626SS**SBendtrans-68.631.7-178.1-79.20000114.5
150G42.7Very low44.6Very low74 Ų74111.9 Ų111.976%0.76365%0.651SS**SBendtrans-87.5-34.8172.900000114.2Y148Y148-G150 PolarHBondContact O-N 2.82Å
151P37.4Very low42.7Very low97 Ų97121.7 Ų121.763%0.6369%0.685SS**SBendtrans-113.1-4.7177.18.713.6000115.3Y148 C153 Q154Y148-P151 WeakPolarHBondContact O-CD 3.37Å; P151-C153 PolarHBondContact O-N 3.5Å; P151-C153 VanDerWaalsContact O-N 3.09Å; P151-Q154 PolarHBondContact O-N 3.48Å
152C38.5Very low41.2Very low52 Ų52119.4 Ų119.435%0.35168%0.683SS.*THydrogen-bonded Turntrans-65.4-12.5-176.8-84.50000114.9Q154C152-Q154 VanDerWaalsContact C-N 3.31Å; C152-Q154 PolarHBondContact O-N 2.02Å
153C37.8Very low39.5Very low134 Ų134121 Ų12191%0.90570%0.695SS**THydrogen-bonded Turntrans-82.1-0.6177.5-73.90000114.6P151P151-C153 PolarHBondContact O-N 3.5Å; P151-C153 VanDerWaalsContact O-N 3.09Å
154Q34.5Very low37.9Very low173 Ų173123.5 Ų123.581%0.80871%0.713SS**SBendtrans-106-22.5-175-134.3169.98.400115.3P151 C152P151-Q154 PolarHBondContact O-N 3.48Å; C152-Q154 VanDerWaalsContact C-N 3.31Å; C152-Q154 PolarHBondContact O-N 2.02Å
155W30.1Very low36.6Very low215 Ų215129.3 Ų129.381%0.81473%0.732SS**SBendtrans-121.7102.9176-76.2-2.6000110.9R157W155-R157 PolarHBondContact O-N 3.11Å
156G36.7Very low35.5Very low85 Ų85131.3 Ų131.388%0.87673%0.731SS**  trans-61.696.4173.700000111.7
157R30.5Very low34.8Very low220 Ų220131.5 Ų131.583%0.8374%0.743SS**  trans-134.6139.6158.8-84.9-159.9-102.6-158.8-4.1111W155W155-R157 PolarHBondContact O-N 3.11Å
158E34.7Very low34.2Very low206 Ų206138.3 Ų138.396%0.96376%0.755SS**SBendtrans-62.1127.7-171.9-61163.2-175.600111.1
159G38.9Very low33.5Very low70 Ų70137 Ų13772%0.72277%0.772SS**  trans137.68.1164.600000119.7
160C32Very low33.1Very low99 Ų99141.5 Ų141.567%0.66979%0.789SS**  trans-94.8113.7177.1-75.70000112.7
161W31.9Very low32.3Very low237 Ų237141.8 Ų141.890%0.89879%0.791SS**  trans-96.5116.1167.3-76.850.7000109.2
162C31.4Very low31.9Very low91 Ų91145.7 Ų145.762%0.61580%0.803SS**  trans-94.3114169-65.70000108.4S164C162-S164 PolarHBondContact O-N 2.9Å
163L30.3Very low31.3Very low171 Ų171151.5 Ų151.590%0.89583%0.83SS**  trans-82.690.3171.2-74.3167.1000109.1
164S30Very low30.6Very low104 Ų104150.5 Ų150.573%0.72782%0.823SS**PPolyproline II helixtrans-82.1125.2159.756.50000109.3C162C162-S164 PolarHBondContact O-N 2.9Å
165H28Very low30.5Very low191 Ų191147.6 Ų147.688%0.88482%0.819SS**PPolyproline II helixtrans-51.5133.7169.1-85.4-62.9000111.7
166P31.4Very low30.3Very low117 Ų117149.6 Ų149.676%0.7683%0.827SS**PPolyproline II helixtrans-102.7116.4165.331.1-20.3000111.1R168P166-R168 PolarHBondContact O-N 3.01Å
167V31.4Very low29.7Very low134 Ų134150.1 Ų150.181%0.81282%0.823SS**PPolyproline II helixtrans-64.2121.8149.7174.20000107.1
168R29.3Very low30Very low240 Ų240144.2 Ų144.291%0.90681%0.813SS**SBendtrans30.6119.2163.9-58.7-175-162.5177.45.8118.7P166P166-R168 PolarHBondContact O-N 3.01Å
169G27Very low29.5Very low71 Ų71143.1 Ų143.173%0.73281%0.805SS**SBendtrans115.3111.2142.600000116.1
170L30.7Very low28.9Very low191 Ų191149.3 Ų149.3100%181%0.812SS**  trans5699162.1-76.9131000117.5
171G26Very low28.5Very low79 Ų79150.9 Ų150.981%0.81482%0.819SS**  trans-134119.3167.800000110.8
172M28.7Very low28Very low179 Ų179146.3 Ų146.388%0.88281%0.81SS**  trans-74.6125.3-167-163.4165.966.700112.1
173L25.6Very low27.7Very low174 Ų174149.9 Ų149.991%0.91182%0.822SS**  trans-72.7127.5164-83.5157.2000108.5
174C23.4Very low27.4Very low114 Ų114150 Ų15077%0.7782%0.815SS**  trans-118.7137161.7-123.30000111.1
175P31.6Very low27.1Very low111 Ų111151.8 Ų151.872%0.72182%0.815SS**  trans-104.1155.4-155.338.4-29.4000112.8
176R26.3Very low26.9Very low257 Ų257151.4 Ų151.497%0.9781%0.811SS**  trans-157.4119144-111161.1176.6146.2-1.3110.2
177A24Very low26.9Very low97 Ų97151.1 Ų151.180%0.80281%0.812SS**  trans-83.9-162.5-166.900000113.1
178P37.5Very low27Very low95 Ų95150.6 Ų150.662%0.61781%0.812SS**  cis-130.5171-6.427.2-1.7000113.7
179F24.8Very low26.8Very low184 Ų184143.2 Ų143.281%0.80780%0.802SS**  -160.212565.5-71.6-87.9000110.3
180K24.7Very low26.8Very low200 Ų200152.7 Ų152.787%0.8782%0.816SS**  49.5126.5102-87.5-173.9178.8-179.10115.2
181V23.3Very low26.5Very low132 Ų132146.6 Ų146.680%0.880%0.799SS**  cis-153.5148.747.8168.20000112.9
182I23.1Very low26.5Very low140 Ų140149.1 Ų149.172%0.71880%0.804SS**  trans-91.4141.5173.2-64.3170.8000110.3K184I182-K184 HydrophobicContact CG2-CB 4.47Å
183I25Very low26.3Very low167 Ų167144.1 Ų144.186%0.85680%0.798SS**  trans-134118.6139.4-54-179.2000109
184K24.2Very low26.2Very low172 Ų172145 Ų14575%0.74880%0.8SS**  trans-90.2174.4172.9-108.5-173.8179.5-179.70110I182I182-K184 HydrophobicContact CG2-CB 4.47Å
185L23.9Very low26.3Very low142 Ų142144.7 Ų144.774%0.74380%0.799SS**  trans115.9130.3149.7-59.7173.1000111.4
186K23.9Very low26.2Very low183 Ų183143.8 Ų143.880%0.79680%0.795SS**  cis-163.41479.5-105.4160-177.7-173.80107.4
187S31Very low26.2Very low111 Ų111137.8 Ų137.878%0.77679%0.787SS**  trans-112.5151.3160.256.30000109.8
188P32.8Very low26.6Very low124 Ų124139.9 Ų139.981%0.80578%0.779SS**  trans-123120.3142.222.4-4.8000109.2
189A26.2Very low26.4Very low85 Ų85143.7 Ų143.770%0.70279%0.793SS**  95.3133.668.400000113.1
190W26Very low26.6Very low270 Ų270139.6 Ų139.6100%1.02378%0.779SS**  trans86.6128.4176.9-62.1-2.9000116.4
191G24.7Very low26.8Very low63 Ų63134.2 Ų134.265%0.64976%0.76SS**  cis170.2137.5-1.700000109.9
192S25.6Very low27.2Very low132 Ų132136.3 Ų136.392%0.92377%0.765SS**  trans57.1126.7155.450.20000121.8
193G24.2Very low27.5Very low73 Ų73134.7 Ų134.775%0.75377%0.766SS**  trans129.483.7142.200000118
194M25.1Very low27.9Very low194 Ų194133.5 Ų133.596%0.95676%0.757SS**  trans53127.4131.6-134.3155.3168.600121.9
195S24.2Very low28Very low107 Ų107133.1 Ų133.175%0.74876%0.762SS**  trans98.9136143.9-160.90000119.4
196S29.6Very low28.2Very low92 Ų92132.9 Ų132.964%0.64377%0.771SS**  trans-48170.817251.60000116.5
197T25.7Very low28.2Very low130 Ų130128.2 Ų128.280%0.79877%0.766SS**  trans85131-175.2730000109.4
198F33.4Very low28.1Very low142 Ų142133.6 Ų133.662%0.62377%0.77SS**  -17299.953.5-168.7-124.7000106.5D200F198-D200 HydrophobicContact CD1-CB 3.53Å; F198-D200 WeakPolarHBondContact CD1-O 3.4Å; F198-D200 HydrophobicContact CD2-CB 3.57Å; F198-D200 WeakPolarHBondContact CD2-OD2 2.99Å; F198-D200 HydrophobicContact CE1-CB 3.32Å; F198-D200 WeakPolarHBondContact CE1-O 3.02Å; F198-D200 HydrophobicContact CE2-CB 3.33Å; F198-D200 WeakPolarHBondContact CE2-OD2 3.33Å; F198-D200 HydrophobicContact CG-CB 3.65Å; F198-D200 HydrophobicContact CZ-CB 3.19Å; F198-D200 PolarHBondContact O-N 2.02Å
199L32.8Very low27.7Very low175 Ų175135.2 Ų135.292%0.91677%0.766SS**  trans-73.451164.9-106172.1000109.2
200D29.4Very low28Very low97 Ų97135.4 Ų135.452%0.51976%0.762SS.*  trans-145.481.3-171.8-78.1-42.9000108.9F198F198-D200 HydrophobicContact CD1-CB 3.53Å; F198-D200 WeakPolarHBondContact CD1-O 3.4Å; F198-D200 HydrophobicContact CD2-CB 3.57Å; F198-D200 WeakPolarHBondContact CD2-OD2 2.99Å; F198-D200 HydrophobicContact CE1-CB 3.32Å; F198-D200 WeakPolarHBondContact CE1-O 3.02Å; F198-D200 HydrophobicContact CE2-CB 3.33Å; F198-D200 WeakPolarHBondContact CE2-OD2 3.33Å; F198-D200 HydrophobicContact CG-CB 3.65Å; F198-D200 HydrophobicContact CZ-CB 3.19Å; F198-D200 PolarHBondContact O-N 2.02Å
201N28.4Very low28.1Very low87 Ų87130.5 Ų130.547%0.46575%0.751SS.*  trans172.353.9142.6-105.6-31.2000112.7Q204N201-Q204 WeakPolarHBondContact OD1-CG 3.47Å
202I32.5Very low28.1Very low176 Ų176136.3 Ų136.390%0.90376%0.759SS**SBendtrans-93.829162.3-49.9-175.6000110
203S29.6Very low27.9Very low107 Ų107137.9 Ų137.975%0.74875%0.751SS**SBendtrans-135.711.5-178.137.50000113.6
204Q32.4Very low28.1Very low141 Ų141142.6 Ų142.666%0.65975%0.751SS**  trans-128.917.8178.2-72.9-165.823.800116.3N201N201-Q204 WeakPolarHBondContact OD1-CG 3.47Å
205L27.3Very low28.2Very low165 Ų165139.5 Ų139.586%0.86475%0.746SS**SBendtrans-98.721.6176.3-74.8170.1000115
206C28.5Very low28.3Very low136 Ų136138.9 Ų138.992%0.91974%0.741SS**  trans-133.166167-84.30000110.4
207A23.7Very low28.4Very low85 Ų85141 Ų14170%0.70275%0.753SS**  trans-141.995.7165.300000111.5
208R28.6Very low28.5Very low224 Ų224138.4 Ų138.485%0.84575%0.752SS**  trans61.2152.6145.1-63.8-173.2178173.20.2121.3
209H24.7Very low28Very low159 Ų159137.4 Ų137.474%0.73676%0.761SS**  trans84.1103.5165.9-68.5-81.6000115.1
210S30.6Very low27.8Very low88 Ų88135 Ų13562%0.61576%0.756SS**  72.4109.169.475.70000113.1
211E29.5Very low27.6Very low168 Ų168137.8 Ų137.879%0.78577%0.769SS**  trans83.3136.8154.9-55.8-177.9170.700120.3
212F24Very low27.5Very low185 Ų185138.7 Ų138.781%0.81178%0.781SS**  trans102.294.4161.3-66.5-79.9000122.1
213Q22.3Very low27.2Very low165 Ų165137.3 Ų137.377%0.77177%0.774SS**  38.7108.5122.4-139.597.94.100123
214F27.7Very low27.1Very low172 Ų172137.7 Ų137.775%0.75477%0.772SS**  trans23.1147.7137-64-75.1000122.4
215P26.9Very low26.8Very low129 Ų129141.2 Ų141.284%0.83878%0.781SS**  -149.2161.353.137.9-15.1000119.4
216S26.4Very low26.8Very low93 Ų93141 Ų14165%0.6578%0.778SS**  trans-79.4175.7-178.1-22.30000113.6
217P32.8Very low26.9Very low138 Ų138142.7 Ų142.790%0.89678%0.778SS**SBend-138.7128.65734.6-14.4000115.4
218G26.8Very low27.3Very low75 Ų75143.9 Ų143.977%0.77377%0.767SS**  trans153.441.7165.300000117.3
219C23.6Very low27.5Very low121 Ų121140.1 Ų140.182%0.81876%0.763SS**  trans-124.5127.5165-92.60000109.4
220P27.5Very low28Very low124 Ų124135.8 Ų135.881%0.80575%0.749SS**  trans-71.1146.9170.529.8-30.5000110.3
221I25.1Very low28Very low155 Ų155136.2 Ų136.280%0.79575%0.751SS**  trans-67.1123.9-164.2-57.3157.4000110.6I223I221-I223 HydrophobicContact CG2-CG1 3.89Å
222C26.8Very low28.2Very low106 Ų106136.4 Ų136.472%0.71676%0.758SS**  trans-87.7106.5162.5-80.70000108.7
223I26.2Very low28.8Very low147 Ų147131 Ų13175%0.75475%0.754SS**  trans-84119169-49.2173.9000106.8I221I221-I223 HydrophobicContact CG2-CG1 3.89Å
224T27.8Very low29.5Very low116 Ų116127.3 Ų127.371%0.71274%0.739SS**  trans-78.7120.8175.238.90000110.3
225Y25.4Very low30.1Very low215 Ų215122 Ų12284%0.84372%0.718SS**  trans-134117.2150.2-115.5-95000107.1
226M27.6Very low30.7Very low161 Ų161120.3 Ų120.379%0.79370%0.701SS**SBendtrans70.379.4172.8-58.9-76.6-125.700117.9K228M226-K228 PolarHBondContact O-N 3.19Å
227N31.5Very low31.3Very low171 Ų171117.5 Ų117.591%0.91468%0.679SS**SBendtrans53.252.3154.1-80.5-9000118.1
228K31.1Very low31.6Very low110 Ų110120.7 Ų120.748%0.47868%0.679SS.*  trans-127.6128.9170.5-61.6-175.2-177.8-160.30110.5M226 I235 N237M226-K228 PolarHBondContact O-N 3.19Å; K228-I235 HydrophobicContact CD-CG2 3.88Å; K228-N237 WeakPolarHBondContact CE-OD1 2.94Å; K228-N237 PolarHBondContact NZ-OD1 2.89Å; K228-N237 VanDerWaalsContact NZ-OD1 3.15Å
229L33.6Very low32.2Very low144 Ų144126.7 Ų126.775%0.75468%0.684SS**  trans-101.4129.1163.4-97.7106.2000108.3
230C34.2Very low33.4Very low68 Ų68126.4 Ų126.446%0.45967%0.67SS.*EExtended strand (participates in β ladder)trans-105.5127.1173.6-920000109.6
231C30.8Very low34.6Very low97 Ų97123.7 Ų123.766%0.65565%0.649SS**EExtended strand (participates in β ladder)trans-120.4124.3159.1-74.20000107.6G233 L234C231-G233 PolarHBondContact O-N 3.18Å; C231-L234 PolarHBondContact O-N 3.05Å
232N33.1Very low35.8Very low173 Ų173117 Ų11793%0.92562%0.615SS**THydrogen-bonded Turntrans41.757.8175.3-80.1-6000115.4L234N232-L234 PolarHBondContact O-N 3.17Å; N232-L234 VanDerWaalsContact O-N 3.17Å
233G37.4Very low36.9Very low70 Ų70114.9 Ų114.972%0.72260%0.596SS**THydrogen-bonded Turntrans73.83171.300000116.1C231C231-G233 PolarHBondContact O-N 3.18Å
234L36.3Very low37.8Very low89 Ų89110.1 Ų110.147%0.46657%0.571SS.*EExtended strand (participates in β ladder)trans-94.6116.8172.2-64.3171.8000109.5C231 N232 L244C231-L234 PolarHBondContact O-N 3.05Å; N232-L234 PolarHBondContact O-N 3.17Å; N232-L234 VanDerWaalsContact O-N 3.17Å; L234-L244 VanDerWaalsContact CD2-O 3.31Å; L234-L244 WeakPolarHBondContact CD2-O 3.18Å
235I41.4Very low38.7Very low60 Ų60106.1 Ų106.131%0.30855%0.553SS.*EExtended strand (participates in β ladder)trans-88.4110.8171.8-62.1172.5000107.5K228 N237 L244K228-I235 HydrophobicContact CD-CG2 3.88Å; I235-N237 PolarHBondContact O-N 3.28Å; I235-L244 HydrophobicContact CB-CB 4.41Å; I235-L244 HydrophobicContact CB-CD1 3.77Å; I235-L244 HydrophobicContact CG2-CD1 3.93Å
236L38.7Very low39.4Very low94 Ų94105.6 Ų105.649%0.49256%0.558SS.*EExtended strand (participates in β ladder)trans-85.2101.9172.3-81.4157.7000109.8K238 F252L236-K238 PolarHBondContact O-N 2.86Å; L236-F252 HydrophobicContact CD2-CZ 3.88Å
237N39.6Very low40.1Very low34 Ų34103.6 Ų103.618%0.18256%0.56CS.*EExtended strand (participates in β ladder)trans-90.990.2166.2-79.9-7.7000109K228 I235 K239 E240K228-N237 WeakPolarHBondContact CE-OD1 2.94Å; K228-N237 PolarHBondContact NZ-OD1 2.89Å; K228-N237 VanDerWaalsContact NZ-OD1 3.15Å; I235-N237 PolarHBondContact O-N 3.28Å; N237-K239 PolarHBondContact O-N 3.35Å; N237-E240 PolarHBondContact O-N 3.45Å
238K38.8Very low41.1Very low204 Ų204101.8 Ų101.889%0.88754%0.544SS*.THydrogen-bonded Turntrans-58.3-12.4175.9-172172.7179.2178.20113.8L236L236-K238 PolarHBondContact O-N 2.86Å
239K39.3Very low42.2Very low202 Ų202101.4 Ų101.488%0.87854%0.543SS*.THydrogen-bonded Turntrans-87.7-12.5-175.1-130.6178.8-178.3-175.60114.5N237N237-K239 PolarHBondContact O-N 3.35Å
240E48.8Very low43.4Very low115 Ų11597.3 Ų97.354%0.53752%0.524SS..THydrogen-bonded Turntrans-133.210.3-168.7-70.1174.6164.600115N237 L242N237-E240 PolarHBondContact O-N 3.45Å; E240-L242 HydrophobicContact CB-CD1 4.11Å; E240-L242 WeakPolarHBondContact O-CG 3.42Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-L242 VanDerWaalsContact O-N 3.15Å
241N52.8Low44.9Very low67 Ų6794.5 Ų94.536%0.35851%0.505SS..THydrogen-bonded Turntrans53.931.4178.9-57.8-33000114.8F252 F255 C265N241-F252 VanDerWaalsContact C-CD2 3.49Å; N241-F252 WeakPolarHBondContact O-CD2 2.94Å; N241-F252 PolarHBondContact O-N 2.89Å; N241-F255 HydrophobicContact CB-CD1 4.2Å; N241-F255 HydrophobicContact CB-CE1 4.13Å; N241-F255 HydrophobicContact CB-CG 4.46Å; N241-F255 HydrophobicContact CB-CZ 4.36Å; N241-F255 VanDerWaalsContact ND2-CE1 3.26Å; N241-F255 WeakPolarHBondContact ND2-CE1 3.45Å; N241-C265 HydrophobicContact CB-CB 4.43Å
242L50.9Low46.5Very low15 Ų1593.3 Ų93.38%0.07949%0.489CS..EExtended strand (participates in β ladder)trans-120.2139.6-176.8-71.7166000112E240 F249 C265E240-L242 HydrophobicContact CB-CD1 4.11Å; E240-L242 WeakPolarHBondContact O-CG 3.42Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-L242 VanDerWaalsContact O-N 3.15Å; L242-F249 HydrophobicContact CD1-CD1 4.17Å; L242-F249 HydrophobicContact CD2-CB 4.14Å; L242-C265 WeakPolarHBondContact CD2-SG 3.3Å
243I49.5Very low48.1Very low61 Ų6191.4 Ų91.431%0.31348%0.478SS..EExtended strand (participates in β ladder)trans-100.7123.7164.8-55.3176.3000108G245 T250 F252I243-G245 PolarHBondContact O-N 3.27Å; I243-T250 PolarHBondContact N-O 2.89Å; I243-T250 PolarHBondContact O-N 2.75Å; I243-T250 VanDerWaalsContact O-N 3.08Å; I243-F252 HydrophobicContact CD1-CD1 3.69Å; I243-F252 HydrophobicContact CD1-CE1 3.67Å; I243-F252 HydrophobicContact CD1-CG 4.19Å; I243-F252 HydrophobicContact CD1-CZ 4.16Å; I243-F252 HydrophobicContact CG1-CD1 3.88Å; I243-F252 HydrophobicContact CG1-CD2 4.01Å; I243-F252 HydrophobicContact CG1-CE1 3.62Å; I243-F252 HydrophobicContact CG1-CE2 3.75Å; I243-F252 HydrophobicContact CG1-CG 4.07Å; I243-F252 HydrophobicContact CG1-CZ 3.55Å
244L44.5Very low49.6Very low46 Ų4688.7 Ų88.724%0.24145%0.451CS..EExtended strand (participates in β ladder)trans-83.7102.8173.3-92.9148.9000109.7L234 I235 F249L234-L244 VanDerWaalsContact CD2-O 3.31Å; L234-L244 WeakPolarHBondContact CD2-O 3.18Å; I235-L244 HydrophobicContact CB-CB 4.41Å; I235-L244 HydrophobicContact CB-CD1 3.77Å; I235-L244 HydrophobicContact CG2-CD1 3.93Å; L244-F249 HydrophobicContact CD1-CE1 4.36Å; L244-F249 HydrophobicContact CD2-CD1 4.05Å; L244-F249 HydrophobicContact CD2-CE1 3.48Å; L244-F249 VanDerWaalsContact CD2-CE1 3.48Å; L244-F249 HydrophobicContact CD2-CZ 3.9Å; L244-F249 HydrophobicContact CG-CD1 4.14Å; L244-F249 HydrophobicContact CG-CE1 3.8Å
245G48.4Very low51.2Low32 Ų3286.5 Ų86.533%0.3344%0.438SS..EExtended strand (participates in β ladder)trans-86.9159.5163.400000111.3I243 S247 K248I243-G245 PolarHBondContact O-N 3.27Å; G245-S247 PolarHBondContact O-N 3.32Å; G245-K248 PolarHBondContact N-O 3.4Å; G245-K248 VanDerWaalsContact N-O 3.15Å; G245-K248 PolarHBondContact O-N 3.14Å
246Q40.3Very low52.9Low204 Ų20484.3 Ų84.395%0.95343%0.429SS*.THydrogen-bonded Turntrans-49.6-13.2-173.7-95.4177.3-21.800116.6
247S40.9Very low54.4Low119 Ų11980.6 Ų80.683%0.83241%0.412SS*.THydrogen-bonded Turntrans-155.79.5172.8-510000115.7G245G245-S247 PolarHBondContact O-N 3.32Å
248K53.1Low55.3Low134 Ų13485.6 Ų85.658%0.58344%0.439SS*.EExtended strand (participates in β ladder)trans-151.2144.9179.2-73.2-168.5175.5-166.80111G245 D259G245-K248 PolarHBondContact N-O 3.4Å; G245-K248 VanDerWaalsContact N-O 3.15Å; G245-K248 PolarHBondContact O-N 3.14Å; K248-D259 IonicContact NZ-OD2 3.13Å
249F53.4Low56Low102 Ų10280.7 Ų80.745%0.44742%0.423SS..EExtended strand (participates in β ladder)trans-80.8133.3169-69.2-82.3000108.8L242 L244L242-F249 HydrophobicContact CD1-CD1 4.17Å; L242-F249 HydrophobicContact CD2-CB 4.14Å; L244-F249 HydrophobicContact CD1-CE1 4.36Å; L244-F249 HydrophobicContact CD2-CD1 4.05Å; L244-F249 HydrophobicContact CD2-CE1 3.48Å; L244-F249 VanDerWaalsContact CD2-CE1 3.48Å; L244-F249 HydrophobicContact CD2-CZ 3.9Å; L244-F249 HydrophobicContact CG-CD1 4.14Å; L244-F249 HydrophobicContact CG-CE1 3.8Å
250T59.5Low56.7Low58 Ų5873 Ų7336%0.35640%0.4SS..EExtended strand (participates in β ladder)trans-132.3133.6176.6-49.10000109I243 I279I243-T250 PolarHBondContact N-O 2.89Å; I243-T250 PolarHBondContact O-N 2.75Å; I243-T250 VanDerWaalsContact O-N 3.08Å; T250-I279 HydrophobicContact CG2-CD1 4.12Å; T250-I279 HydrophobicContact CG2-CG2 3.99Å
251C65.5Low56.5Low9 Ų979.6 Ų79.66%0.06142%0.42CS..EExtended strand (participates in β ladder)trans-67.6149.8178.7-57.90000111.1F255 C265 I279C251-F255 HydrophobicContact CB-CB 3.83Å; C251-F255 WeakPolarHBondContact CB-O 3.36Å; C251-C265 WeakPolarHBondContact CA-SG 3.44Å; C251-C265 HydrophobicContact CB-CB 3.85Å; C251-C265 WeakPolarHBondContact CB-SG 3.41Å; C251-C265 WeakPolarHBondContact SG-CB 3.44Å; C251-C265 CovalentContact SG-SG 2.03Å; C251-C265 PolarHBondContact SG-SG 2.76Å; C251-I279 HydrophobicContact CB-CG2 4.22Å
252F65.4Low56.4Low72 Ų7284.1 Ų84.132%0.31645%0.445SS..PPolyproline II helixtrans-61.8156.1170.3-83.1-83.8000111.7L236 N241 I243 G254 F255L236-F252 HydrophobicContact CD2-CZ 3.88Å; N241-F252 VanDerWaalsContact C-CD2 3.49Å; N241-F252 WeakPolarHBondContact O-CD2 2.94Å; N241-F252 PolarHBondContact O-N 2.89Å; I243-F252 HydrophobicContact CD1-CD1 3.69Å; I243-F252 HydrophobicContact CD1-CE1 3.67Å; I243-F252 HydrophobicContact CD1-CG 4.19Å; I243-F252 HydrophobicContact CD1-CZ 4.16Å; I243-F252 HydrophobicContact CG1-CD1 3.88Å; I243-F252 HydrophobicContact CG1-CD2 4.01Å; I243-F252 HydrophobicContact CG1-CE1 3.62Å; I243-F252 HydrophobicContact CG1-CE2 3.75Å; I243-F252 HydrophobicContact CG1-CG 4.07Å; I243-F252 HydrophobicContact CG1-CZ 3.55Å; F252-G254 PolarHBondContact O-N 2.8Å; F252-F255 HydrophobicContact CB-CD2 4.06Å; F252-F255 WeakPolarHBondContact O-CB 3.38Å; F252-F255 PolarHBondContact O-N 2.83Å
253D65.1Low56.7Low132 Ų13284.3 Ų84.371%0.70645%0.45SS*.THydrogen-bonded Turntrans-52.1129.7168.4-70.4-23.5000110.1L276D253-L276 HydrophobicContact CB-CD2 4.2Å
254G69.4Low57.2Low14 Ų1485.3 Ų85.314%0.14446%0.463CS..THydrogen-bonded Turntrans90.36.1-172.800000115.4F252 C268 N275F252-G254 PolarHBondContact O-N 2.8Å; G254-C268 VanDerWaalsContact CA-SG 3.53Å; G254-C268 PolarHBondContact O-N 2.84Å; G254-C268 PolarHBondContact O-SG 3.04Å; G254-N275 WeakPolarHBondContact CA-O 3.34Å
255F70.7Confident58.4Low43 Ų4384 Ų8419%0.18946%0.457CS..EExtended strand (participates in β ladder)trans-129.3144.6170.6-63.5-99.7000111.6N241 C251 F252 C265 E266 T267N241-F255 HydrophobicContact CB-CD1 4.2Å; N241-F255 HydrophobicContact CB-CE1 4.13Å; N241-F255 HydrophobicContact CB-CG 4.46Å; N241-F255 HydrophobicContact CB-CZ 4.36Å; N241-F255 VanDerWaalsContact ND2-CE1 3.26Å; N241-F255 WeakPolarHBondContact ND2-CE1 3.45Å; C251-F255 HydrophobicContact CB-CB 3.83Å; C251-F255 WeakPolarHBondContact CB-O 3.36Å; F252-F255 HydrophobicContact CB-CD2 4.06Å; F252-F255 WeakPolarHBondContact O-CB 3.38Å; F252-F255 PolarHBondContact O-N 2.83Å; F255-C265 HydrophobicContact CB-CB 4.08Å; F255-C265 HydrophobicContact CD1-CB 4.47Å; F255-E266 CarbonylContact C-O 3.48Å; F255-E266 WeakPolarHBondContact CA-O 3.27Å; F255-E266 WeakPolarHBondContact CB-O 3.15Å; F255-T267 HydrophobicContact CD1-CG2 3.9Å; F255-T267 HydrophobicContact CE1-CG2 3.32Å; F255-T267 HydrophobicContact CZ-CG2 3.92Å
256A76.3Confident59.5Low14 Ų1488.2 Ų88.212%0.11647%0.468CS..EExtended strand (participates in β ladder)trans-126.8143.317500000111E266 I279 G282A256-E266 PolarHBondContact N-O 3.31Å; A256-E266 PolarHBondContact O-N 2.78Å; A256-I279 VanDerWaalsContact CA-O 3.27Å; A256-I279 WeakPolarHBondContact CA-O 3.49Å; A256-I279 WeakPolarHBondContact CB-O 3.44Å; A256-G282 VanDerWaalsContact CB-CA 3.45Å
257G70.6Confident61.2Low15 Ų1582.5 Ų82.516%0.15545%0.447CS..EExtended strand (participates in β ladder)trans-168.4158-17500000111.4S264 I279G257-S264 WeakPolarHBondContact CA-O 3.42Å; G257-I279 PolarHBondContact N-O 2.83Å
258N58.8Low63.2Low140 Ų14077.9 Ų77.975%0.74942%0.415SS*.  trans-86.6143.5-180-154.60.3000110G260N258-G260 PolarHBondContact O-N 2.79Å
259D54Low64.7Low101 Ų10177.5 Ų77.554%0.5441%0.413SS..SBendtrans-63.918-179.1-76.6-3000114.1K248K248-D259 IonicContact NZ-OD2 3.13Å
260G52.7Low66.3Low39 Ų3972.8 Ų72.840%0.40239%0.393SS..SBendtrans-77.7154.2-178.800000113.4N258 D262 G263N258-G260 PolarHBondContact O-N 2.79Å; G260-D262 PolarHBondContact O-N 3.38Å; G260-G263 PolarHBondContact O-N 2.89Å
261R44.2Very low67.6Low254 Ų25473 Ų7396%0.95839%0.392SS*.THydrogen-bonded Turntrans-54.6-9.8-174.7-112.6179.2-92.6-166.3-4.8116.2
262D52Low68.5Low162 Ų16280.7 Ų80.787%0.86643%0.432SS*.THydrogen-bonded Turntrans-99.5-3.6179.2-64.4-25.2000114.3G260 S264G260-D262 PolarHBondContact O-N 3.38Å; D262-S264 VanDerWaalsContact C-N 3.29Å; D262-S264 PolarHBondContact O-N 2.9Å
263G56Low69.4Low19 Ų1978.2 Ų78.220%0.19642%0.422CS..  trans54.731.6164.100000116.8G260 C265G260-G263 PolarHBondContact O-N 2.89Å; G263-C265 PolarHBondContact O-N 3.07Å
264S60.3Low70.3Confident82 Ų8273 Ų7357%0.57339%0.394SS*.  trans-80.1107.5-179.1-163.20000111.1G257 D262G257-S264 WeakPolarHBondContact CA-O 3.42Å; D262-S264 VanDerWaalsContact C-N 3.29Å; D262-S264 PolarHBondContact O-N 2.9Å
265C69.1Low70.8Confident20 Ų2078 Ų7814%0.13542%0.418CS..EExtended strand (participates in β ladder)trans-99.3114.6172.5-67.70000109.8N241 L242 C251 F255 G263N241-C265 HydrophobicContact CB-CB 4.43Å; L242-C265 WeakPolarHBondContact CD2-SG 3.3Å; C251-C265 WeakPolarHBondContact CA-SG 3.44Å; C251-C265 HydrophobicContact CB-CB 3.85Å; C251-C265 WeakPolarHBondContact CB-SG 3.41Å; C251-C265 WeakPolarHBondContact SG-CB 3.44Å; C251-C265 CovalentContact SG-SG 2.03Å; C251-C265 PolarHBondContact SG-SG 2.76Å; F255-C265 HydrophobicContact CB-CB 4.08Å; F255-C265 HydrophobicContact CD1-CB 4.47Å; G263-C265 PolarHBondContact O-N 3.07Å
266E71.6Confident71.4Confident120 Ų12079.3 Ų79.356%0.56143%0.427SS*.EExtended strand (participates in β ladder)trans-93.6151.1174.4-67-168.1-176.100111.1F255 A256F255-E266 CarbonylContact C-O 3.48Å; F255-E266 WeakPolarHBondContact CA-O 3.27Å; F255-E266 WeakPolarHBondContact CB-O 3.15Å; A256-E266 PolarHBondContact N-O 3.31Å; A256-E266 PolarHBondContact O-N 2.78Å
267T76.3Confident71.9Confident83 Ų8379.2 Ų79.251%0.50943%0.425SS..EExtended strand (participates in β ladder)trans-66.7139.5175.452.80000110.9F255 K269F255-T267 HydrophobicContact CD1-CG2 3.9Å; F255-T267 HydrophobicContact CE1-CG2 3.32Å; F255-T267 HydrophobicContact CZ-CG2 3.92Å; T267-K269 PolarHBondContact O-N 2.68Å; T267-K269 VanDerWaalsContact O-N 3.16Å
268C82.8Confident72.5Confident22 Ų2282.4 Ų82.415%0.14944%0.436CS..PPolyproline II helixtrans-61.8116.1172.9-620000110.5G254 C270 C277G254-C268 VanDerWaalsContact CA-SG 3.53Å; G254-C268 PolarHBondContact O-N 2.84Å; G254-C268 PolarHBondContact O-SG 3.04Å; C268-C270 PolarHBondContact O-N 3.22Å; C268-C277 HydrophobicContact CB-CB 3.61Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 WeakPolarHBondContact SG-CB 3.48Å; C268-C277 PolarHBondContact SG-N 3.26Å; C268-C277 VanDerWaalsContact SG-N 3.4Å; C268-C277 CovalentContact SG-SG 2Å; C268-C277 PolarHBondContact SG-SG 3.39Å
269K85.9Confident73.3Confident127 Ų12778.6 Ų78.655%0.55242%0.415SS*.  trans-94.884.5178.2-68.5176-175.5162.80110.7T267 Q295T267-K269 PolarHBondContact O-N 2.68Å; T267-K269 VanDerWaalsContact O-N 3.16Å; K269-Q295 VanDerWaalsContact O-CB 3.29Å; K269-Q295 WeakPolarHBondContact O-CB 3.31Å; K269-Q295 VanDerWaalsContact O-CG 3.24Å; K269-Q295 WeakPolarHBondContact O-CG 3.4Å
270C86.5Confident74.3Confident3 Ų377.4 Ų77.42%0.0241%0.414CS..  trans-112.827-172.1-51.10000114.9C268 N272 H273 T274 C284 Q295C268-C270 PolarHBondContact O-N 3.22Å; C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.18Å; C270-N272 VanDerWaalsContact O-N 3.08Å; C270-H273 PolarHBondContact O-N 3.03Å; C270-T274 HydrophobicContact CB-CG2 3.39Å; C270-T274 VanDerWaalsContact CB-O 3.27Å; C270-T274 WeakPolarHBondContact CB-O 3.39Å; C270-C284 WeakPolarHBondContact CA-SG 3.04Å; C270-C284 HydrophobicContact CB-CB 3.61Å; C270-C284 WeakPolarHBondContact CB-SG 3.36Å; C270-C284 WeakPolarHBondContact SG-CB 3.15Å; C270-C284 CovalentContact SG-SG 2.01Å; C270-C284 PolarHBondContact SG-SG 2.77Å; C270-Q295 CarbonylContact C-O 3.42Å
271N85.6Confident75.6Confident62 Ų6279.2 Ų79.233%0.33242%0.421SS..THydrogen-bonded Turntrans50.737.1173.8-62.3-53.4000115.1H273 Q295 L310N271-H273 PolarHBondContact O-CD2 3.09Å; N271-H273 PolarHBondContact O-N 3.17Å; N271-H273 VanDerWaalsContact O-N 3.13Å; N271-Q295 PolarHBondContact ND2-O 3.08Å; N271-L310 HydrophobicContact CB-CD2 4.3Å
272N85Confident77.4Confident171 Ų17168.4 Ų68.491%0.91439%0.389SS*.THydrogen-bonded Turntrans62.97.1-177-62-17.4000116.2C270C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.18Å; C270-N272 VanDerWaalsContact O-N 3.08Å
273H84.1Confident79.1Confident20 Ų2065.8 Ų65.89%0.09337%0.369CS..SBendtrans-83.7-17.6174.7-71-79.8000112.9C270 N271 T287 C296 P309C270-H273 PolarHBondContact O-N 3.03Å; N271-H273 PolarHBondContact O-CD2 3.09Å; N271-H273 PolarHBondContact O-N 3.17Å; N271-H273 VanDerWaalsContact O-N 3.13Å; H273-T287 WeakPolarHBondContact O-CG2 3.49Å; H273-T287 PolarHBondContact O-OG1 3.36Å; H273-C296 HydrophobicContact CB-CB 3.72Å; H273-P309 WeakPolarHBondContact NE2-CB 3.39Å; H273-P309 PolarHBondContact NE2-O 3.39Å
274T84.4Confident80.7Confident21 Ų2165.2 Ų65.213%0.12936%0.362CS..  trans-164.5161.8173.9-173.60000109.2C270 L276 C284 F285C270-T274 HydrophobicContact CB-CG2 3.39Å; C270-T274 VanDerWaalsContact CB-O 3.27Å; C270-T274 WeakPolarHBondContact CB-O 3.39Å; T274-L276 WeakPolarHBondContact CG2-O 3.15Å; T274-L276 PolarHBondContact OG1-N 2.77Å; T274-C284 HydrophobicContact CG2-CB 3.85Å; T274-F285 WeakPolarHBondContact CB-O 3.32Å; T274-F285 VanDerWaalsContact CG2-O 3.23Å; T274-F285 WeakPolarHBondContact CG2-O 3.35Å; T274-F285 PolarHBondContact OG1-O 2.92Å; T274-F285 VanDerWaalsContact OG1-O 3.07Å
275N80.4Confident82.1Confident121 Ų12164.1 Ų64.165%0.64735%0.347SS*.SBendtrans-107.3-216562-17.5000111.7G254G254-N275 WeakPolarHBondContact CA-O 3.34Å
276L84Confident83.2Confident70 Ų7063.7 Ų63.737%0.36635%0.345SS..  trans-101.6128.2-177.1-61.5174.8000110.4D253 T274 F285D253-L276 HydrophobicContact CB-CD2 4.2Å; T274-L276 WeakPolarHBondContact CG2-O 3.15Å; T274-L276 PolarHBondContact OG1-N 2.77Å; L276-F285 HydrophobicContact CB-CD2 4.29Å; L276-F285 PolarHBondContact O-N 2.88Å
277C85.1Confident84.2Confident11 Ų1159.8 Ų59.87%0.07433%0.329CS..BIsolated β-bridgetrans-135.7163.6170.476.10000111.2C268 I279 K283C268-C277 HydrophobicContact CB-CB 3.61Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 WeakPolarHBondContact SG-CB 3.48Å; C268-C277 PolarHBondContact SG-N 3.26Å; C268-C277 VanDerWaalsContact SG-N 3.4Å; C268-C277 CovalentContact SG-SG 2Å; C268-C277 PolarHBondContact SG-SG 3.39Å; C277-I279 PolarHBondContact O-N 3.08Å; C277-K283 CarbonylContact C-O 3.58Å; C277-K283 VanDerWaalsContact CA-O 3.23Å; C277-K283 WeakPolarHBondContact CA-O 3.4Å; C277-K283 WeakPolarHBondContact CB-O 3.26Å
278H83.8Confident85.1Confident83 Ų8356.4 Ų56.438%0.38431%0.308SS..  trans-70127179.2-172.3-97.2000110.6S280 S281 G282 K283 F285H278-S280 VanDerWaalsContact C-N 3.31Å; H278-S280 PolarHBondContact CE1-OG 2.81Å; H278-S280 PolarHBondContact ND1-OG 2.65Å; H278-S280 PolarHBondContact O-N 2.87Å; H278-S281 WeakPolarHBondContact CB-OG 3.45Å; H278-S281 PolarHBondContact ND1-N 3.28Å; H278-S281 PolarHBondContact ND1-OG 3.06Å; H278-S281 PolarHBondContact O-N 3.12Å; H278-G282 WeakPolarHBondContact O-CA 3.03Å; H278-G282 PolarHBondContact O-N 2.87Å; H278-K283 HydrophobicContact CB-CB 4.42Å; H278-K283 PolarHBondContact N-O 2.94Å; H278-F285 HydrophobicContact CB-CE2 4.3Å; H278-F285 HydrophobicContact CB-CZ 4.07Å
279I76.4Confident85.6Confident59 Ų5957.6 Ų57.630%0.30331%0.311SS..THydrogen-bonded Turntrans-58-39.7-167.2-59.4169.1000112.7T250 C251 A256 G257 C277T250-I279 HydrophobicContact CG2-CD1 4.12Å; T250-I279 HydrophobicContact CG2-CG2 3.99Å; C251-I279 HydrophobicContact CB-CG2 4.22Å; A256-I279 VanDerWaalsContact CA-O 3.27Å; A256-I279 WeakPolarHBondContact CA-O 3.49Å; A256-I279 WeakPolarHBondContact CB-O 3.44Å; G257-I279 PolarHBondContact N-O 2.83Å; C277-I279 PolarHBondContact O-N 3.08Å
280S73.8Confident85.8Confident77 Ų7751.6 Ų51.654%0.53829%0.285SS..THydrogen-bonded Turntrans-94.5-21.8-175.762.40000114.9H278H278-S280 VanDerWaalsContact C-N 3.31Å; H278-S280 PolarHBondContact CE1-OG 2.81Å; H278-S280 PolarHBondContact ND1-OG 2.65Å; H278-S280 PolarHBondContact O-N 2.87Å
281S81.4Confident86.1Confident77 Ų7751.5 Ų51.554%0.53828%0.284SS..THydrogen-bonded Turntrans-111-13.3-175.864.90000113.6H278 K283H278-S281 WeakPolarHBondContact CB-OG 3.45Å; H278-S281 PolarHBondContact ND1-N 3.28Å; H278-S281 PolarHBondContact ND1-OG 3.06Å; H278-S281 PolarHBondContact O-N 3.12Å; S281-K283 PolarHBondContact O-N 3.27Å
282G80.8Confident86.3Confident27 Ų2752.3 Ų52.328%0.27829%0.285SS..  trans70.24.3-175.500000114.6A256 H278 C284A256-G282 VanDerWaalsContact CB-CA 3.45Å; H278-G282 WeakPolarHBondContact O-CA 3.03Å; H278-G282 PolarHBondContact O-N 2.87Å; G282-C284 PolarHBondContact O-N 2.8Å
283K88.1Confident86.4Confident107 Ų10745.3 Ų45.347%0.46525%0.254SS..  trans-72124.4-177.2-174.2173.3-174.1175.90111.5C277 H278 S281 D294C277-K283 CarbonylContact C-O 3.58Å; C277-K283 VanDerWaalsContact CA-O 3.23Å; C277-K283 WeakPolarHBondContact CA-O 3.4Å; C277-K283 WeakPolarHBondContact CB-O 3.26Å; H278-K283 HydrophobicContact CB-CB 4.42Å; H278-K283 PolarHBondContact N-O 2.94Å; S281-K283 PolarHBondContact O-N 3.27Å; K283-D294 WeakPolarHBondContact CE-OD1 3.44Å; K283-D294 HydrophobicContact CG-CB 4.45Å; K283-D294 IonicContact NZ-OD1 3.83Å
284C89.5Confident86.6Confident7 Ų748.8 Ų48.85%0.04727%0.273CS..BIsolated β-bridgetrans-73.5142.3-177.5-62.70000113.2C270 T274 G282 C286 D294C270-C284 WeakPolarHBondContact CA-SG 3.04Å; C270-C284 HydrophobicContact CB-CB 3.61Å; C270-C284 WeakPolarHBondContact CB-SG 3.36Å; C270-C284 WeakPolarHBondContact SG-CB 3.15Å; C270-C284 CovalentContact SG-SG 2.01Å; C270-C284 PolarHBondContact SG-SG 2.77Å; T274-C284 HydrophobicContact CG2-CB 3.85Å; G282-C284 PolarHBondContact O-N 2.8Å; C284-C286 PolarHBondContact O-N 2.79Å; C284-D294 VanDerWaalsContact CB-O 3.3Å; C284-D294 WeakPolarHBondContact CB-O 3.45Å; C284-D294 PolarHBondContact N-O 2.93Å; C284-D294 PolarHBondContact SG-O 3.26Å
285F90.1Very high86.8Confident58 Ų5852 Ų5225%0.25429%0.286SS..  trans-93.890.6170.9-63-63.7000110T274 L276 H278 T287 H335T274-F285 WeakPolarHBondContact CB-O 3.32Å; T274-F285 VanDerWaalsContact CG2-O 3.23Å; T274-F285 WeakPolarHBondContact CG2-O 3.35Å; T274-F285 PolarHBondContact OG1-O 2.92Å; T274-F285 VanDerWaalsContact OG1-O 3.07Å; L276-F285 HydrophobicContact CB-CD2 4.29Å; L276-F285 PolarHBondContact O-N 2.88Å; H278-F285 HydrophobicContact CB-CE2 4.3Å; H278-F285 HydrophobicContact CB-CZ 4.07Å; F285-T287 PolarHBondContact O-N 2.85Å; F285-H335 HydrophobicContact CB-CB 4.16Å; F285-H335 AromaticContact CD1-CD2 3.35Å; F285-H335 WeakPolarHBondContact CD1-CD2 3.49Å; F285-H335 AromaticContact CD1-NE2 3.14Å; F285-H335 WeakPolarHBondContact CD1-NE2 3.5Å; F285-H335 AromaticContact CD2-NE2 3.97Å; F285-H335 AromaticContact CE1-NE2 3.49Å; F285-H335 WeakPolarHBondContact CE1-NE2 3.43Å; F285-H335 AromaticContact CG-CD2 3.67Å; F285-H335 AromaticContact CG-CE1 3.82Å; F285-H335 AromaticContact CG-NE2 3.4Å; F285-H335 WeakPolarHBondContact CG-NE2 3.42Å
286C92.1Very high87.3Confident12 Ų1246.2 Ų46.28%0.08126%0.255CS..  trans-63.7132-176.4-48.30000111.3C284 V291 C296 Y336C284-C286 PolarHBondContact O-N 2.79Å; C286-V291 HydrophobicContact CB-CB 4.33Å; C286-V291 HydrophobicContact CB-CG1 4.39Å; C286-C296 WeakPolarHBondContact CA-SG 3.19Å; C286-C296 HydrophobicContact CB-CB 4.07Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CA 3.43Å; C286-C296 WeakPolarHBondContact SG-CB 3.46Å; C286-C296 CovalentContact SG-SG 2.04Å; C286-C296 PolarHBondContact SG-SG 2.87Å; C286-Y336 WeakPolarHBondContact O-CD1 3.47Å; C286-Y336 WeakPolarHBondContact O-CE1 3.05Å
287T92.9Very high87.5Confident37 Ų3745.7 Ų45.723%0.22725%0.251CS..  trans-90.3-15.3-175.760.90000113.9H273 F285 H335 Y336 T337 A338H273-T287 WeakPolarHBondContact O-CG2 3.49Å; H273-T287 PolarHBondContact O-OG1 3.36Å; F285-T287 PolarHBondContact O-N 2.85Å; T287-H335 WeakPolarHBondContact CA-O 3.33Å; T287-Y336 CarbonylContact O-C 3.56Å; T287-Y336 VanDerWaalsContact O-CA 3.26Å; T287-Y336 WeakPolarHBondContact O-CA 3.05Å; T287-T337 PolarHBondContact O-N 2.03Å; T287-A338 PolarHBondContact O-N 3.42Å; T287-A338 VanDerWaalsContact O-N 3.13Å
288T93.6Very high87.7Confident13 Ų1350 Ų508%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-103.7124.1179.6-58.20000110.4G290 V291 A338T288-G290 PolarHBondContact O-N 2.8Å; T288-V291 HydrophobicContact CG2-CG2 4.08Å; T288-V291 PolarHBondContact O-N 2.82Å; T288-V291 VanDerWaalsContact O-N 3.12Å; T288-A338 CarbonylContact C-O 3.54Å; T288-A338 WeakPolarHBondContact CA-O 3.39Å; T288-A338 HydrophobicContact CG2-CB 4.4Å
289K93.9Very high88Confident46 Ų4647.2 Ų47.220%0.226%0.262CS..EExtended strand (participates in β ladder)trans-62.7130.2177.6-17268.2173.9-1780109.8Y305 L328 D333 Y336 A338 I339K289-Y305 VanDerWaalsContact CG-OH 3.32Å; K289-Y305 WeakPolarHBondContact CG-OH 3.43Å; K289-Y305 WeakPolarHBondContact O-CE1 3.32Å; K289-L328 HydrophobicContact CB-CD2 4.41Å; K289-L328 HydrophobicContact CD-CD2 3.92Å; K289-L328 HydrophobicContact CG-CD2 4.23Å; K289-D333 IonicContact NZ-OD1 2.81Å; K289-D333 PolarHBondContact NZ-OD1 3.46Å; K289-Y336 HydrophobicContact CB-CD1 4.16Å; K289-Y336 HydrophobicContact CB-CE1 4.45Å; K289-Y336 HydrophobicContact CB-CG 4.27Å; K289-Y336 HydrophobicContact CD-CD1 4.34Å; K289-Y336 HydrophobicContact CD-CD2 3.7Å; K289-Y336 HydrophobicContact CD-CE1 4.13Å; K289-Y336 HydrophobicContact CD-CE2 3.49Å; K289-Y336 VanDerWaalsContact CD-CE2 3.49Å; K289-Y336 HydrophobicContact CD-CG 4.15Å; K289-A338 PolarHBondContact N-O 2.87Å; K289-I339 HydrophobicContact CB-CB 4.11Å; K289-I339 HydrophobicContact CB-CD1 4.11Å; K289-I339 HydrophobicContact CB-CG1 4.05Å; K289-I339 HydrophobicContact CG-CD1 4.15Å
290G90.2Very high88.6Confident1 Ų144.9 Ų44.91%0.0125%0.251CS..THydrogen-bonded Turntrans96.7-10.3-176.100000114.4T288 C299 D300 Y305T288-G290 PolarHBondContact O-N 2.8Å; G290-C299 CarbonylContact O-C 3.54Å; G290-C299 WeakPolarHBondContact O-CA 3.46Å; G290-D300 WeakPolarHBondContact O-CB 3.41Å; G290-D300 PolarHBondContact O-N 2.9Å; G290-Y305 VanDerWaalsContact CA-CD1 3.5Å
291V92.3Very high89.1Confident1 Ų145.6 Ų45.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-89.4128.3167.4-173.80000108.9C286 T288 C296 P309 C314C286-V291 HydrophobicContact CB-CB 4.33Å; C286-V291 HydrophobicContact CB-CG1 4.39Å; T288-V291 HydrophobicContact CG2-CG2 4.08Å; T288-V291 PolarHBondContact O-N 2.82Å; T288-V291 VanDerWaalsContact O-N 3.12Å; V291-C296 HydrophobicContact CG1-CB 3.62Å; V291-C296 WeakPolarHBondContact CG1-O 3.3Å; V291-P309 HydrophobicContact CG1-CB 3.93Å; V291-P309 HydrophobicContact CG1-CG 4.4Å; V291-P309 HydrophobicContact CG2-CB 4.44Å; V291-C314 HydrophobicContact CG2-CB 4.02Å
292K90.2Very high89.2Confident79 Ų7949.8 Ų49.834%0.34327%0.266SS..EExtended strand (participates in β ladder)trans-136.4174-176.6-77-172.4175.1171.70111.4C296 Q297 L298 D300K292-C296 CarbonylContact O-C 3.56Å; K292-C296 WeakPolarHBondContact O-CA 3.33Å; K292-Q297 PolarHBondContact O-N 2.89Å; K292-Q297 VanDerWaalsContact O-N 3.17Å; K292-L298 PolarHBondContact N-O 2.99Å; K292-L298 PolarHBondContact O-N 2.97Å; K292-L298 VanDerWaalsContact O-O 3.07Å; K292-D300 HydrophobicContact CD-CB 3.82Å; K292-D300 WeakPolarHBondContact CE-OD1 2.96Å; K292-D300 WeakPolarHBondContact CE-OD2 3.43Å; K292-D300 HydrophobicContact CG-CB 4.2Å; K292-D300 IonicContact NZ-OD1 3.56Å; K292-D300 PolarHBondContact NZ-OD1 2.67Å; K292-D300 IonicContact NZ-OD2 3.96Å; K292-D300 PolarHBondContact NZ-OD2 2.93Å
293G88.3Confident89.2Confident25 Ų2552.5 Ų52.526%0.25828%0.275SS..SBendtrans102.1160.9-178.300000112.3Q295 C296G293-Q295 PolarHBondContact O-N 3.27Å; G293-C296 PolarHBondContact O-N 2.93Å; G293-C296 VanDerWaalsContact O-N 3.11Å
294D88.4Confident89Confident93 Ų9354.5 Ų54.550%0.49728%0.279SS..THydrogen-bonded Turntrans-64.7-23.5-174.3-63.7-30.5000113.6K283 C284K283-D294 WeakPolarHBondContact CE-OD1 3.44Å; K283-D294 HydrophobicContact CG-CB 4.45Å; K283-D294 IonicContact NZ-OD1 3.83Å; C284-D294 VanDerWaalsContact CB-O 3.3Å; C284-D294 WeakPolarHBondContact CB-O 3.45Å; C284-D294 PolarHBondContact N-O 2.93Å; C284-D294 PolarHBondContact SG-O 3.26Å
295Q87.4Confident88.9Confident88 Ų8854.7 Ų54.741%0.41128%0.279SS..THydrogen-bonded Turntrans-11716.7176.5-64.5-174-27.300112.2K269 C270 N271 G293 Q297K269-Q295 VanDerWaalsContact O-CB 3.29Å; K269-Q295 WeakPolarHBondContact O-CB 3.31Å; K269-Q295 VanDerWaalsContact O-CG 3.24Å; K269-Q295 WeakPolarHBondContact O-CG 3.4Å; C270-Q295 CarbonylContact C-O 3.42Å; N271-Q295 PolarHBondContact ND2-O 3.08Å; G293-Q295 PolarHBondContact O-N 3.27Å; Q295-Q297 VanDerWaalsContact C-N 3.31Å; Q295-Q297 PolarHBondContact O-N 2.89Å
296C90.3Very high88.7Confident0 Ų055 Ų550%028%0.283CS..SBendtrans58.340.2-174.6-540000113.2H273 C286 V291 K292 G293H273-C296 HydrophobicContact CB-CB 3.72Å; C286-C296 WeakPolarHBondContact CA-SG 3.19Å; C286-C296 HydrophobicContact CB-CB 4.07Å; C286-C296 WeakPolarHBondContact CB-SG 3.36Å; C286-C296 WeakPolarHBondContact SG-CA 3.43Å; C286-C296 WeakPolarHBondContact SG-CB 3.46Å; C286-C296 CovalentContact SG-SG 2.04Å; C286-C296 PolarHBondContact SG-SG 2.87Å; V291-C296 HydrophobicContact CG1-CB 3.62Å; V291-C296 WeakPolarHBondContact CG1-O 3.3Å; K292-C296 CarbonylContact O-C 3.56Å; K292-C296 WeakPolarHBondContact O-CA 3.33Å; G293-C296 PolarHBondContact O-N 2.93Å; G293-C296 VanDerWaalsContact O-N 3.11Å
297Q88.1Confident88.3Confident59 Ų5956 Ų5628%0.27630%0.295SS..  trans-100-4.7-172.276.2-77.416.500115K292 Q295 P309 L310K292-Q297 PolarHBondContact O-N 2.89Å; K292-Q297 VanDerWaalsContact O-N 3.17Å; Q295-Q297 VanDerWaalsContact C-N 3.31Å; Q295-Q297 PolarHBondContact O-N 2.89Å; Q297-P309 WeakPolarHBondContact O-CG 3.47Å; Q297-L310 HydrophobicContact CB-CD2 3.93Å
298L89.8Confident87.9Confident102 Ų10257.6 Ų57.653%0.53430%0.302SS..EExtended strand (participates in β ladder)trans-123.5149.1-177.2-58.2174.4000111.2K292K292-L298 PolarHBondContact N-O 2.99Å; K292-L298 PolarHBondContact O-N 2.97Å; K292-L298 VanDerWaalsContact O-O 3.07Å
299C90.1Very high87.5Confident24 Ų2457.2 Ų57.216%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-88.5149.4164.1-650000110.9G290 S301 G307 C314G290-C299 CarbonylContact O-C 3.54Å; G290-C299 WeakPolarHBondContact O-CA 3.46Å; C299-S301 VanDerWaalsContact C-N 3.26Å; C299-S301 PolarHBondContact O-N 2.89Å; C299-G307 VanDerWaalsContact SG-C 3.51Å; C299-G307 PolarHBondContact SG-O 2.69Å; C299-G307 VanDerWaalsContact SG-O 3.38Å; C299-C314 WeakPolarHBondContact CA-SG 3.43Å; C299-C314 HydrophobicContact CB-CB 3.87Å; C299-C314 WeakPolarHBondContact CB-SG 3.36Å; C299-C314 VanDerWaalsContact SG-CA 3.59Å; C299-C314 WeakPolarHBondContact SG-CB 3.48Å; C299-C314 CovalentContact SG-SG 2.03Å; C299-C314 PolarHBondContact SG-SG 2.68Å
300D88.8Confident86.9Confident10 Ų1060 Ų605%0.05332%0.317CS..  trans-76.273.3176.8-168.313.8000111.7G290 K292 E302 N303 Y305G290-D300 WeakPolarHBondContact O-CB 3.41Å; G290-D300 PolarHBondContact O-N 2.9Å; K292-D300 HydrophobicContact CD-CB 3.82Å; K292-D300 WeakPolarHBondContact CE-OD1 2.96Å; K292-D300 WeakPolarHBondContact CE-OD2 3.43Å; K292-D300 HydrophobicContact CG-CB 4.2Å; K292-D300 IonicContact NZ-OD1 3.56Å; K292-D300 PolarHBondContact NZ-OD1 2.67Å; K292-D300 IonicContact NZ-OD2 3.96Å; K292-D300 PolarHBondContact NZ-OD2 2.93Å; D300-E302 PolarHBondContact O-N 3.09Å; D300-N303 CarbonylContact O-C 3.59Å; D300-N303 PolarHBondContact O-N 2.75Å; D300-N303 VanDerWaalsContact O-N 3.08Å; D300-N303 PolarHBondContact OD1-ND2 3.12Å; D300-N303 PolarHBondContact OD2-ND2 2.87Å; D300-Y305 HydrophobicContact CB-CD2 3.94Å; D300-Y305 HydrophobicContact CB-CG 4.39Å; D300-Y305 WeakPolarHBondContact O-CB 3.2Å; D300-Y305 PolarHBondContact O-N 2.86Å; D300-Y305 VanDerWaalsContact O-N 3.12Å
301S84.7Confident86.3Confident91 Ų9170.6 Ų70.664%0.63636%0.356SS*.G310 helixtrans-60.8-30-178.1550000112.9C299 N303 R304C299-S301 VanDerWaalsContact C-N 3.26Å; C299-S301 PolarHBondContact O-N 2.89Å; S301-N303 PolarHBondContact O-N 3.47Å; S301-R304 PolarHBondContact O-N 3.27Å; S301-R304 VanDerWaalsContact O-N 3.14Å
302E83.3Confident85.9Confident165 Ų16572 Ų7277%0.77137%0.371SS*.G310 helixtrans-59-36.1175.4-63.7-179.5170.700111.9D300D300-E302 PolarHBondContact O-N 3.09Å
303N81.8Confident85.8Confident85 Ų8569 Ų6946%0.45536%0.36SS..G310 helixtrans-101.827.8178.8-66.7-62000112.8D300 S301 Y305 Y316D300-N303 CarbonylContact O-C 3.59Å; D300-N303 PolarHBondContact O-N 2.75Å; D300-N303 VanDerWaalsContact O-N 3.08Å; D300-N303 PolarHBondContact OD1-ND2 3.12Å; D300-N303 PolarHBondContact OD2-ND2 2.87Å; S301-N303 PolarHBondContact O-N 3.47Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 HydrophobicContact CB-CD2 4.05Å; N303-Y305 HydrophobicContact CB-CE2 4.15Å; N303-Y305 WeakPolarHBondContact O-CD2 3.32Å; N303-Y305 PolarHBondContact O-N 3.21Å; N303-Y316 WeakPolarHBondContact O-CD2 3.44Å; N303-Y316 VanDerWaalsContact O-CE2 3.26Å; N303-Y316 WeakPolarHBondContact O-CE2 3.42Å
304R84.1Confident85.9Confident149 Ų14967.9 Ų67.956%0.56235%0.347SS*.THydrogen-bonded Turntrans62.425.5175.3-53.3177.9176.2172.3-2.1114.9S301 Y316S301-R304 PolarHBondContact O-N 3.27Å; S301-R304 VanDerWaalsContact O-N 3.14Å; R304-Y316 HydrophobicContact CB-CE2 4.22Å
305Y86.9Confident86.1Confident10 Ų1064 Ų644%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-81.9129.9168-71.9-93.6000110.4K289 G290 D300 N303 C314 Y315 Y316 I339K289-Y305 VanDerWaalsContact CG-OH 3.32Å; K289-Y305 WeakPolarHBondContact CG-OH 3.43Å; K289-Y305 WeakPolarHBondContact O-CE1 3.32Å; G290-Y305 VanDerWaalsContact CA-CD1 3.5Å; D300-Y305 HydrophobicContact CB-CD2 3.94Å; D300-Y305 HydrophobicContact CB-CG 4.39Å; D300-Y305 WeakPolarHBondContact O-CB 3.2Å; D300-Y305 PolarHBondContact O-N 2.86Å; D300-Y305 VanDerWaalsContact O-N 3.12Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 HydrophobicContact CB-CD2 4.05Å; N303-Y305 HydrophobicContact CB-CE2 4.15Å; N303-Y305 WeakPolarHBondContact O-CD2 3.32Å; N303-Y305 PolarHBondContact O-N 3.21Å; Y305-C314 HydrophobicContact CD1-CB 4.39Å; Y305-Y315 CarbonylContact C-O 3.57Å; Y305-Y315 WeakPolarHBondContact CA-O 3.35Å; Y305-Y316 HydrophobicContact CD2-CD2 4.2Å; Y305-Y316 HydrophobicContact CE1-CD2 4.33Å; Y305-Y316 HydrophobicContact CE1-CG 4.49Å; Y305-Y316 AromaticContact CE2-CD2 3.83Å; Y305-Y316 HydrophobicContact CE2-CD2 3.83Å; Y305-Y316 AromaticContact CZ-CD2 3.9Å; Y305-I339 WeakPolarHBondContact OH-CD1 3.43Å
306L86Confident86.3Confident66 Ų6661.1 Ų61.135%0.34631%0.311SS..EExtended strand (participates in β ladder)trans-113.1158.3-178.6-28.3173.6000109.9C314 Y315 N317 V342L306-C314 CarbonylContact O-C 3.59Å; L306-C314 WeakPolarHBondContact O-CA 3.29Å; L306-Y315 PolarHBondContact N-O 2.88Å; L306-Y315 PolarHBondContact O-N 3.11Å; L306-N317 HydrophobicContact CD1-CB 3.87Å; L306-N317 HydrophobicContact CG-CB 4.26Å; L306-V342 HydrophobicContact CD1-CG1 4.19Å
307G83.9Confident86.2Confident32 Ų3263.8 Ų63.833%0.3333%0.326SS..EExtended strand (participates in β ladder)trans116.1-163.3172.600000113C299C299-G307 VanDerWaalsContact SG-C 3.51Å; C299-G307 PolarHBondContact SG-O 2.69Å; C299-G307 VanDerWaalsContact SG-O 3.38Å
308N83.2Confident86.2Confident70 Ų7061.4 Ų61.437%0.37432%0.315SS..  trans-143.1111.1-177.6-174.5-17.7000110.3L310 R311 G312 T313N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 VanDerWaalsContact OD1-CB 3.3Å; N308-L310 WeakPolarHBondContact OD1-CB 3.34Å; N308-L310 PolarHBondContact OD1-N 2.76Å; N308-R311 PolarHBondContact O-N 2.73Å; N308-G312 CarbonylContact O-C 3.48Å; N308-G312 WeakPolarHBondContact O-CA 3.31Å; N308-G312 PolarHBondContact O-N 2.84Å; N308-T313 PolarHBondContact N-O 2.77Å
309P84.9Confident86Confident6 Ų660 Ų604%0.03931%0.308CS..THydrogen-bonded Turntrans-71.5-14.4-177.831.6-34.8000113H273 V291 Q297 G312H273-P309 WeakPolarHBondContact NE2-CB 3.39Å; H273-P309 PolarHBondContact NE2-O 3.39Å; V291-P309 HydrophobicContact CG1-CB 3.93Å; V291-P309 HydrophobicContact CG1-CG 4.4Å; V291-P309 HydrophobicContact CG2-CB 4.44Å; Q297-P309 WeakPolarHBondContact O-CG 3.47Å; P309-G312 CarbonylContact C-O 3.57Å; P309-G312 WeakPolarHBondContact CA-O 3.45Å
310L82.4Confident85.7Confident104 Ų10460.1 Ų60.155%0.54531%0.306SS..THydrogen-bonded Turntrans-78.1-24.8175.9-60.1177.5000113N271 Q297 N308N271-L310 HydrophobicContact CB-CD2 4.3Å; Q297-L310 HydrophobicContact CB-CD2 3.93Å; N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 VanDerWaalsContact OD1-CB 3.3Å; N308-L310 WeakPolarHBondContact OD1-CB 3.34Å; N308-L310 PolarHBondContact OD1-N 2.76Å
311R78.3Confident85.4Confident223 Ų22364.1 Ų64.184%0.84233%0.328SS*.THydrogen-bonded Turntrans-120.26179.8-57.8-167.883.2172.14.7113.1N308N308-R311 PolarHBondContact O-N 2.73Å
312G83.4Confident85.4Confident31 Ų3166.7 Ų66.732%0.3233%0.325SS..SBendtrans176.4-131-173.300000110.5N308 P309N308-G312 CarbonylContact O-C 3.48Å; N308-G312 WeakPolarHBondContact O-CA 3.31Å; N308-G312 PolarHBondContact O-N 2.84Å; P309-G312 CarbonylContact C-O 3.57Å; P309-G312 WeakPolarHBondContact CA-O 3.45Å
313T88.1Confident85.6Confident17 Ų1763.8 Ų63.810%0.10431%0.311CS..  trans-139.5-179.1178.8-168.20000111N308 Y315 N340 Y415N308-T313 PolarHBondContact N-O 2.77Å; T313-Y315 HydrophobicContact CG2-CD1 4.5Å; T313-Y315 HydrophobicContact CG2-CD2 4.28Å; T313-Y315 HydrophobicContact CG2-CE1 3.85Å; T313-Y315 HydrophobicContact CG2-CE2 3.58Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.41Å; T313-Y315 WeakPolarHBondContact O-CE2 3.36Å; T313-N340 HydrophobicContact CG2-CB 4.49Å; T313-N340 VanDerWaalsContact CG2-ND2 3.28Å; T313-N340 WeakPolarHBondContact CG2-ND2 3.38Å; T313-N340 PolarHBondContact OG1-ND2 3.48Å; T313-N340 VanDerWaalsContact OG1-ND2 3.11Å; T313-Y415 HydrophobicContact CG2-CE1 4.36Å
314C90.1Very high86Confident0 Ų061.3 Ų61.30%030%0.296CS..EExtended strand (participates in β ladder)trans-101.8138.4176.1-58.20000109.9V291 C299 Y305 L306V291-C314 HydrophobicContact CG2-CB 4.02Å; C299-C314 WeakPolarHBondContact CA-SG 3.43Å; C299-C314 HydrophobicContact CB-CB 3.87Å; C299-C314 WeakPolarHBondContact CB-SG 3.36Å; C299-C314 VanDerWaalsContact SG-CA 3.59Å; C299-C314 WeakPolarHBondContact SG-CB 3.48Å; C299-C314 CovalentContact SG-SG 2.03Å; C299-C314 PolarHBondContact SG-SG 2.68Å; Y305-C314 HydrophobicContact CD1-CB 4.39Å; L306-C314 CarbonylContact O-C 3.59Å; L306-C314 WeakPolarHBondContact O-CA 3.29Å
315Y91.5Very high86.4Confident13 Ų1357.5 Ų57.55%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-124133.3-176.5-57.3-94.5000109.9Y305 L306 T313 N340 V342 Y413 Y415Y305-Y315 CarbonylContact C-O 3.57Å; Y305-Y315 WeakPolarHBondContact CA-O 3.35Å; L306-Y315 PolarHBondContact N-O 2.88Å; L306-Y315 PolarHBondContact O-N 3.11Å; T313-Y315 HydrophobicContact CG2-CD1 4.5Å; T313-Y315 HydrophobicContact CG2-CD2 4.28Å; T313-Y315 HydrophobicContact CG2-CE1 3.85Å; T313-Y315 HydrophobicContact CG2-CE2 3.58Å; T313-Y315 WeakPolarHBondContact CG2-OH 3.41Å; T313-Y315 WeakPolarHBondContact O-CE2 3.36Å; Y315-N340 WeakPolarHBondContact CA-O 3.39Å; Y315-N340 HydrophobicContact CD1-CB 3.65Å; Y315-N340 HydrophobicContact CE1-CB 4.02Å; Y315-N340 HydrophobicContact CG-CB 4.4Å; Y315-V342 HydrophobicContact CG-CB 4.5Å; Y315-Y413 AromaticContact CD1-CD1 3.85Å; Y315-Y413 HydrophobicContact CD1-CD1 3.85Å; Y315-Y413 AromaticContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CE1 4.26Å; Y315-Y413 HydrophobicContact CE1-CG 4.33Å; Y315-Y413 HydrophobicContact CG-CD1 4.5Å; Y315-Y415 HydrophobicContact CE1-CD1 4.46Å; Y315-Y415 AromaticContact CE1-CE1 3.58Å; Y315-Y415 HydrophobicContact CE1-CE1 3.58Å; Y315-Y415 AromaticContact CE1-CZ 3.82Å; Y315-Y415 PolarHBondContact OH-OH 3.49Å
316Y92.5Very high86.7Confident26 Ų2658.4 Ų58.410%0.10229%0.294CS..EExtended strand (participates in β ladder)trans-81.1128.9170-175-85000109.9N303 R304 Y305 L318 F324 F326 N340 F341 V342N303-Y316 WeakPolarHBondContact O-CD2 3.44Å; N303-Y316 VanDerWaalsContact O-CE2 3.26Å; N303-Y316 WeakPolarHBondContact O-CE2 3.42Å; R304-Y316 HydrophobicContact CB-CE2 4.22Å; Y305-Y316 HydrophobicContact CD2-CD2 4.2Å; Y305-Y316 HydrophobicContact CE1-CD2 4.33Å; Y305-Y316 HydrophobicContact CE1-CG 4.49Å; Y305-Y316 AromaticContact CE2-CD2 3.83Å; Y305-Y316 HydrophobicContact CE2-CD2 3.83Å; Y305-Y316 AromaticContact CZ-CD2 3.9Å; Y316-L318 HydrophobicContact CD1-CD2 3.94Å; Y316-L318 HydrophobicContact CE1-CD2 4.21Å; Y316-L318 PolarHBondContact O-N 3.17Å; Y316-F324 HydrophobicContact CE1-CD1 4.02Å; Y316-F324 HydrophobicContact CE1-CE1 4.12Å; Y316-F324 HydrophobicContact CE1-CG 4.33Å; Y316-F324 WeakPolarHBondContact OH-CE1 3.38Å; Y316-F326 HydrophobicContact CD1-CE1 4.36Å; Y316-F326 AromaticContact CD1-CZ 3.63Å; Y316-F326 HydrophobicContact CD1-CZ 3.63Å; Y316-F326 AromaticContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CZ 4.05Å; Y316-F326 HydrophobicContact CE1-CE1 4.43Å; Y316-F326 AromaticContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE2-CE1 4.01Å; Y316-F326 HydrophobicContact CE2-CZ 4.1Å; Y316-F326 HydrophobicContact CG-CE1 4.1Å; Y316-F326 AromaticContact CG-CZ 3.8Å; Y316-F326 HydrophobicContact CG-CZ 3.8Å; Y316-F326 AromaticContact CZ-CZ 3.92Å; Y316-N340 PolarHBondContact N-O 3.37Å; Y316-F341 HydrophobicContact CD1-CD1 4.29Å; Y316-F341 HydrophobicContact CG-CD1 4.47Å; Y316-F341 WeakPolarHBondContact O-CA 3.4Å; Y316-V342 PolarHBondContact O-N 3.19Å
317N88.2Confident87.1Confident57 Ų5758.3 Ų58.331%0.30530%0.298SS..EExtended strand (participates in β ladder)trans-76.4111.3179.1-167.718.3000111.7L306 V342L306-N317 HydrophobicContact CD1-CB 3.87Å; L306-N317 HydrophobicContact CG-CB 4.26Å; N317-V342 HydrophobicContact CB-CG1 4.28Å
318L88.1Confident87.5Confident8 Ų857 Ų574%0.04228%0.284CS..PPolyproline II helixtrans-83.5120.5175.8-65.7176.5000110.1Y316 F324 F341 V342 A343 M354 V427Y316-L318 HydrophobicContact CD1-CD2 3.94Å; Y316-L318 HydrophobicContact CE1-CD2 4.21Å; Y316-L318 PolarHBondContact O-N 3.17Å; L318-F324 HydrophobicContact CD2-CB 4.42Å; L318-F324 HydrophobicContact CD2-CD2 3.62Å; L318-F324 HydrophobicContact CD2-CE2 4.19Å; L318-F324 HydrophobicContact CD2-CG 4.18Å; L318-F341 HydrophobicContact CD1-CB 3.51Å; L318-F341 HydrophobicContact CD1-CD1 4.22Å; L318-F341 HydrophobicContact CD1-CG 3.93Å; L318-F341 HydrophobicContact CD2-CD1 3.88Å; L318-F341 HydrophobicContact CD2-CG 4.42Å; L318-F341 HydrophobicContact CG-CB 3.83Å; L318-F341 HydrophobicContact CG-CD1 4.1Å; L318-F341 HydrophobicContact CG-CG 4.24Å; L318-V342 PolarHBondContact N-O 2.85Å; L318-A343 HydrophobicContact CB-CB 4.34Å; L318-M354 HydrophobicContact CD1-CE 4.14Å; L318-V427 HydrophobicContact CD1-CG1 4.27Å; L318-V427 HydrophobicContact CD1-CG2 3.75Å; L318-V427 HydrophobicContact CD2-CG1 3.63Å
319L85.1Confident87.8Confident74 Ų7457.8 Ų57.839%0.38729%0.287SS..PPolyproline II helixtrans-75.4127.7167.2-58.2177.2000108.9Y322 F324L319-Y322 HydrophobicContact CB-CD2 3.74Å; L319-Y322 HydrophobicContact CB-CE2 4.48Å; L319-Y322 HydrophobicContact CB-CG 4.27Å; L319-Y322 PolarHBondContact O-N 2.91Å; L319-F324 HydrophobicContact CB-CE2 4.11Å; L319-F324 HydrophobicContact CB-CZ 3.95Å; L319-F324 HydrophobicContact CD1-CZ 4.28Å; L319-F324 HydrophobicContact CG-CZ 4.1Å
320I83.7Confident88.1Confident26 Ų2663.8 Ų63.813%0.13332%0.315CS..THydrogen-bonded Turntrans-69.4149.4178.2-45.6-61.7000110.2Y322 A343 L352 I431I320-Y322 WeakPolarHBondContact O-CD2 3.33Å; I320-Y322 PolarHBondContact O-N 3.12Å; I320-A343 HydrophobicContact CD1-CB 3.95Å; I320-L352 HydrophobicContact CD1-CD1 4.1Å; I320-L352 HydrophobicContact CG2-CD1 4.2Å; I320-I431 HydrophobicContact CB-CD1 4Å; I320-I431 HydrophobicContact CG1-CD1 4.23Å; I320-I431 HydrophobicContact CG2-CB 4.09Å; I320-I431 HydrophobicContact CG2-CD1 3.31Å; I320-I431 HydrophobicContact CG2-CG1 3.41Å; I320-I431 VanDerWaalsContact CG2-CG1 3.41Å
321D83.4Confident88.2Confident93 Ų9366 Ų6650%0.49732%0.323SS..THydrogen-bonded Turntrans67.34.4-172.3-55.4-38.8000115G429 E430 I431D321-G429 WeakPolarHBondContact CA-O 3.1Å; D321-G429 PolarHBondContact N-O 3.46Å; D321-E430 WeakPolarHBondContact OD1-CA 2.82Å; D321-I431 PolarHBondContact OD1-N 3.36Å
322Y84.8Confident88.5Confident146 Ų14661.9 Ų61.957%0.57332%0.317SS*.  trans-104.7145.3171.8-72.5-93.5000112.1L319 I320L319-Y322 HydrophobicContact CB-CD2 3.74Å; L319-Y322 HydrophobicContact CB-CE2 4.48Å; L319-Y322 HydrophobicContact CB-CG 4.27Å; L319-Y322 PolarHBondContact O-N 2.91Å; I320-Y322 WeakPolarHBondContact O-CD2 3.33Å; I320-Y322 PolarHBondContact O-N 3.12Å
323Q87.5Confident88.7Confident104 Ų10460.8 Ų60.849%0.48630%0.304SS..EExtended strand (participates in β ladder)trans-100.5124169.5-178.2175.1-22.700109.7R428Q323-R428 HydrophobicContact CB-CB 4.23Å; Q323-R428 HydrophobicContact CB-CG 4.03Å; Q323-R428 HydrophobicContact CG-CB 4.28Å
324F90.6Very high88.7Confident33 Ų3366.6 Ų66.615%0.14532%0.324CS..EExtended strand (participates in β ladder)trans-105.3141.4174.8-65.4-86.4000110.2Y316 L318 L319 F326 Q426 V427Y316-F324 HydrophobicContact CE1-CD1 4.02Å; Y316-F324 HydrophobicContact CE1-CE1 4.12Å; Y316-F324 HydrophobicContact CE1-CG 4.33Å; Y316-F324 WeakPolarHBondContact OH-CE1 3.38Å; L318-F324 HydrophobicContact CD2-CB 4.42Å; L318-F324 HydrophobicContact CD2-CD2 3.62Å; L318-F324 HydrophobicContact CD2-CE2 4.19Å; L318-F324 HydrophobicContact CD2-CG 4.18Å; L319-F324 HydrophobicContact CB-CE2 4.11Å; L319-F324 HydrophobicContact CB-CZ 3.95Å; L319-F324 HydrophobicContact CD1-CZ 4.28Å; L319-F324 HydrophobicContact CG-CZ 4.1Å; F324-F326 HydrophobicContact CB-CD2 4.42Å; F324-F326 HydrophobicContact CB-CE2 3.64Å; F324-F326 HydrophobicContact CB-CZ 4.18Å; F324-Q426 VanDerWaalsContact O-CA 3.32Å; F324-Q426 WeakPolarHBondContact O-CA 3.28Å; F324-V427 HydrophobicContact CB-CG1 4.05Å; F324-V427 PolarHBondContact N-O 2.97Å; F324-V427 PolarHBondContact O-N 2.83Å
325T92.4Very high88.7Confident69 Ų6969 Ų6942%0.42334%0.335SS..EExtended strand (participates in β ladder)trans-124.5115.3174.1-59.90000109.5I425 Q426T325-I425 CarbonylContact C-O 3.52Å; T325-I425 WeakPolarHBondContact CA-O 3.06Å; T325-Q426 HydrophobicContact CG2-CG 3.98Å; T325-Q426 PolarHBondContact OG1-NE2 2.96Å
326F93.1Very high88.8Confident29 Ų2969.9 Ų69.913%0.12734%0.339CS..EExtended strand (participates in β ladder)trans-98.5117.2175.9-62.5-91.1000109Y316 F324 L328 I339 F341 K424 I425 V427Y316-F326 HydrophobicContact CD1-CE1 4.36Å; Y316-F326 AromaticContact CD1-CZ 3.63Å; Y316-F326 HydrophobicContact CD1-CZ 3.63Å; Y316-F326 AromaticContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CE1 3.94Å; Y316-F326 HydrophobicContact CD2-CZ 4.05Å; Y316-F326 HydrophobicContact CE1-CE1 4.43Å; Y316-F326 AromaticContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE1-CZ 3.69Å; Y316-F326 HydrophobicContact CE2-CE1 4.01Å; Y316-F326 HydrophobicContact CE2-CZ 4.1Å; Y316-F326 HydrophobicContact CG-CE1 4.1Å; Y316-F326 AromaticContact CG-CZ 3.8Å; Y316-F326 HydrophobicContact CG-CZ 3.8Å; Y316-F326 AromaticContact CZ-CZ 3.92Å; F324-F326 HydrophobicContact CB-CD2 4.42Å; F324-F326 HydrophobicContact CB-CE2 3.64Å; F324-F326 HydrophobicContact CB-CZ 4.18Å; F326-L328 HydrophobicContact CB-CD1 4.33Å; F326-I339 HydrophobicContact CB-CD1 4.5Å; F326-I339 HydrophobicContact CD1-CD1 3.84Å; F326-I339 HydrophobicContact CD2-CD1 4.49Å; F326-I339 HydrophobicContact CE1-CD1 4.18Å; F326-I339 HydrophobicContact CG-CD1 4.01Å; F326-F341 AromaticContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CZ 4.09Å; F326-F341 HydrophobicContact CE1-CE1 4.37Å; F326-F341 HydrophobicContact CE2-CD1 4.29Å; F326-F341 AromaticContact CE2-CE1 3.37Å; F326-F341 HydrophobicContact CE2-CE1 3.37Å; F326-F341 AromaticContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CZ-CD1 4.38Å; F326-F341 AromaticContact CZ-CE1 3.64Å; F326-F341 HydrophobicContact CZ-CE1 3.64Å; F326-K424 CarbonylContact O-C 3.52Å; F326-K424 VanDerWaalsContact O-CA 3.32Å; F326-K424 WeakPolarHBondContact O-CA 3.3Å; F326-I425 HydrophobicContact CB-CB 4.47Å; F326-I425 PolarHBondContact N-O 3.42Å; F326-I425 PolarHBondContact O-N 3.11Å; F326-V427 HydrophobicContact CD2-CG1 4.38Å; F326-V427 HydrophobicContact CE2-CG1 3.89Å
327S93.2Very high88.8Confident63 Ų6371.5 Ų71.544%0.44135%0.352SS..EExtended strand (participates in β ladder)trans-108.999.8178.7-64.30000109.9L329S327-L329 PolarHBondContact O-N 2.8Å
328L92.6Very high89.1Confident4 Ų469.4 Ų69.42%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-95.384.5176.3-60.3107000108.6K289 F326 D333 Y336 W421 P422 I423 I425K289-L328 HydrophobicContact CB-CD2 4.41Å; K289-L328 HydrophobicContact CD-CD2 3.92Å; K289-L328 HydrophobicContact CG-CD2 4.23Å; F326-L328 HydrophobicContact CB-CD1 4.33Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 4.31Å; L328-Y336 HydrophobicContact CD2-CD2 3.81Å; L328-Y336 HydrophobicContact CD2-CG 4.18Å; L328-W421 VanDerWaalsContact O-CD1 3.25Å; L328-W421 PolarHBondContact O-NE1 2.92Å; L328-P422 WeakPolarHBondContact O-CA 3.07Å; L328-I423 HydrophobicContact CB-CG2 4.07Å; L328-I423 HydrophobicContact CD1-CG2 3.76Å; L328-I423 PolarHBondContact N-O 3.05Å; L328-I423 PolarHBondContact O-N 2.83Å; L328-I425 HydrophobicContact CD1-CD1 4.32Å
329L90.6Very high89.5Confident87 Ų8769 Ų6946%0.45534%0.34SS..  trans-122.3-10.8-174-56.4179.4000113.2S327 W421 P422 K424S327-L329 PolarHBondContact O-N 2.8Å; L329-W421 WeakPolarHBondContact O-CZ2 3.36Å; L329-P422 HydrophobicContact CD2-CB 3.89Å; L329-K424 HydrophobicContact CD2-CG 4.32Å
330Q89.7Confident89.9Confident132 Ų13266 Ų6662%0.61732%0.324SS*.SBendtrans-82.7152.5-176.8-61.9-175.5-23.900110.3D332 D333 W421Q330-D332 PolarHBondContact O-N 2.81Å; Q330-D333 PolarHBondContact N-OD2 2.87Å; Q330-D333 WeakPolarHBondContact O-CB 3.31Å; Q330-D333 PolarHBondContact O-N 3.13Å; Q330-W421 PolarHBondContact O-NE1 3.27Å
331E85.3Confident90.4Very high151 Ų15164.7 Ų64.771%0.70632%0.318SS*.G310 helixtrans-59.8-31.4177.5-71.1-170.1170.400112.4D333 R334E331-D333 PolarHBondContact O-N 3.28Å; E331-R334 WeakPolarHBondContact O-CB 3.32Å; E331-R334 WeakPolarHBondContact O-CD 3.23Å; E331-R334 WeakPolarHBondContact O-CG 3.38Å; E331-R334 PolarHBondContact O-N 3.23Å; E331-R334 VanDerWaalsContact O-N 3.16Å
332D84.6Confident90.7Very high136 Ų13660.9 Ų60.973%0.72730%0.298SS*.G310 helixtrans-65.2-23.1175.4-67.9-29.8000112.7Q330 R334Q330-D332 PolarHBondContact O-N 2.81Å; D332-R334 VanDerWaalsContact C-N 3.31Å
333D87.3Confident90.7Very high8 Ų854.1 Ų54.14%0.04327%0.272CS..G310 helixtrans-83.6-4.7178.1-65.4-50.4000113.3K289 L328 Q330 E331 H335 Y336K289-D333 IonicContact NZ-OD1 2.81Å; K289-D333 PolarHBondContact NZ-OD1 3.46Å; L328-D333 HydrophobicContact CB-CB 4.07Å; L328-D333 HydrophobicContact CD2-CB 4.31Å; Q330-D333 PolarHBondContact N-OD2 2.87Å; Q330-D333 WeakPolarHBondContact O-CB 3.31Å; Q330-D333 PolarHBondContact O-N 3.13Å; E331-D333 PolarHBondContact O-N 3.28Å; D333-H335 PolarHBondContact O-N 2.92Å; D333-Y336 VanDerWaalsContact CA-CD2 3.49Å; D333-Y336 HydrophobicContact CB-CD2 3.8Å; D333-Y336 HydrophobicContact CB-CE2 4.21Å; D333-Y336 WeakPolarHBondContact O-CD2 3.48Å; D333-Y336 PolarHBondContact O-N 3.2Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.29Å; D333-Y336 VanDerWaalsContact OD1-CE2 3.23Å; D333-Y336 WeakPolarHBondContact OD1-CE2 3.47Å
334R89Confident90.4Very high140 Ų14052.1 Ų52.153%0.52827%0.267SS..THydrogen-bonded Turntrans-56.5-26.3-171.673.3-172.3-170.2-171.42.6114.8E331 D332 W421E331-R334 WeakPolarHBondContact O-CB 3.32Å; E331-R334 WeakPolarHBondContact O-CD 3.23Å; E331-R334 WeakPolarHBondContact O-CG 3.38Å; E331-R334 PolarHBondContact O-N 3.23Å; E331-R334 VanDerWaalsContact O-N 3.16Å; D332-R334 VanDerWaalsContact C-N 3.31Å; R334-W421 HydrophobicContact CB-CD2 4.22Å; R334-W421 HydrophobicContact CB-CE3 4.35Å; R334-W421 HydrophobicContact CB-CG 4.43Å
335H88.8Confident89.6Confident49 Ų4951.4 Ų51.423%0.22727%0.266CS..THydrogen-bonded Turntrans-89.3-10.7-175.4-60.8-64.4000112.8F285 T287 D333 T337F285-H335 HydrophobicContact CB-CB 4.16Å; F285-H335 AromaticContact CD1-CD2 3.35Å; F285-H335 WeakPolarHBondContact CD1-CD2 3.49Å; F285-H335 AromaticContact CD1-NE2 3.14Å; F285-H335 WeakPolarHBondContact CD1-NE2 3.5Å; F285-H335 AromaticContact CD2-NE2 3.97Å; F285-H335 AromaticContact CE1-NE2 3.49Å; F285-H335 WeakPolarHBondContact CE1-NE2 3.43Å; F285-H335 AromaticContact CG-CD2 3.67Å; F285-H335 AromaticContact CG-CE1 3.82Å; F285-H335 AromaticContact CG-NE2 3.4Å; F285-H335 WeakPolarHBondContact CG-NE2 3.42Å; T287-H335 WeakPolarHBondContact CA-O 3.33Å; D333-H335 PolarHBondContact O-N 2.92Å; H335-T337 PolarHBondContact O-N 3.43Å
336Y93.8Very high88.4Confident32 Ų3257 Ų5713%0.12529%0.287CS..  trans-75.7127.3178.7-62.8-57.4000111.2C286 T287 K289 L328 D333 F419C286-Y336 WeakPolarHBondContact O-CD1 3.47Å; C286-Y336 WeakPolarHBondContact O-CE1 3.05Å; T287-Y336 CarbonylContact O-C 3.56Å; T287-Y336 VanDerWaalsContact O-CA 3.26Å; T287-Y336 WeakPolarHBondContact O-CA 3.05Å; K289-Y336 HydrophobicContact CB-CD1 4.16Å; K289-Y336 HydrophobicContact CB-CE1 4.45Å; K289-Y336 HydrophobicContact CB-CG 4.27Å; K289-Y336 HydrophobicContact CD-CD1 4.34Å; K289-Y336 HydrophobicContact CD-CD2 3.7Å; K289-Y336 HydrophobicContact CD-CE1 4.13Å; K289-Y336 HydrophobicContact CD-CE2 3.49Å; K289-Y336 VanDerWaalsContact CD-CE2 3.49Å; K289-Y336 HydrophobicContact CD-CG 4.15Å; L328-Y336 HydrophobicContact CD2-CD2 3.81Å; L328-Y336 HydrophobicContact CD2-CG 4.18Å; D333-Y336 VanDerWaalsContact CA-CD2 3.49Å; D333-Y336 HydrophobicContact CB-CD2 3.8Å; D333-Y336 HydrophobicContact CB-CE2 4.21Å; D333-Y336 WeakPolarHBondContact O-CD2 3.48Å; D333-Y336 PolarHBondContact O-N 3.2Å; D333-Y336 WeakPolarHBondContact OD1-CD2 3.29Å; D333-Y336 VanDerWaalsContact OD1-CE2 3.23Å; D333-Y336 WeakPolarHBondContact OD1-CE2 3.47Å; Y336-F419 VanDerWaalsContact O-CE2 3.31Å; Y336-F419 WeakPolarHBondContact O-CE2 3.15Å
337T93.4Very high87Confident61 Ų6160.2 Ų60.237%0.37430%0.302SS..  trans-126.6-5.5176.660.90000112.4T287 H335 S417 N418 F419T287-T337 PolarHBondContact O-N 2.03Å; H335-T337 PolarHBondContact O-N 3.43Å; T337-S417 CarbonylContact O-C 3.58Å; T337-N418 PolarHBondContact O-N 2.89Å; T337-F419 VanDerWaalsContact C-CE1 3.47Å; T337-F419 VanDerWaalsContact C-CZ 3.49Å; T337-F419 WeakPolarHBondContact O-CD1 3.04Å; T337-F419 WeakPolarHBondContact O-CE1 3.47Å; T337-F419 PolarHBondContact O-N 2.73Å
338A95.1Very high85.3Confident12 Ų1258.6 Ų58.610%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-140.5152.7177.400000112.7T287 T288 K289 V416 F419T287-A338 PolarHBondContact O-N 3.42Å; T287-A338 VanDerWaalsContact O-N 3.13Å; T288-A338 CarbonylContact C-O 3.54Å; T288-A338 WeakPolarHBondContact CA-O 3.39Å; T288-A338 HydrophobicContact CG2-CB 4.4Å; K289-A338 PolarHBondContact N-O 2.87Å; A338-V416 CarbonylContact C-O 3.42Å; A338-V416 WeakPolarHBondContact CA-O 3.41Å; A338-F419 VanDerWaalsContact CA-CE1 3.41Å
339I95.2Very high83.6Confident0 Ų063.6 Ų63.60%032%0.319CS..EExtended strand (participates in β ladder)trans-148.7136.2169.6-174.2168.4000108.3K289 Y305 F326 F341 V416 F419 I425K289-I339 HydrophobicContact CB-CB 4.11Å; K289-I339 HydrophobicContact CB-CD1 4.11Å; K289-I339 HydrophobicContact CB-CG1 4.05Å; K289-I339 HydrophobicContact CG-CD1 4.15Å; Y305-I339 WeakPolarHBondContact OH-CD1 3.43Å; F326-I339 HydrophobicContact CB-CD1 4.5Å; F326-I339 HydrophobicContact CD1-CD1 3.84Å; F326-I339 HydrophobicContact CD2-CD1 4.49Å; F326-I339 HydrophobicContact CE1-CD1 4.18Å; F326-I339 HydrophobicContact CG-CD1 4.01Å; I339-F341 HydrophobicContact CB-CZ 4.35Å; I339-F341 HydrophobicContact CD1-CE1 3.72Å; I339-F341 HydrophobicContact CD1-CZ 3.64Å; I339-F341 HydrophobicContact CG1-CE1 3.9Å; I339-F341 HydrophobicContact CG1-CE2 4.36Å; I339-F341 HydrophobicContact CG1-CZ 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.86Å; I339-F341 HydrophobicContact CG2-CZ 3.71Å; I339-V416 HydrophobicContact CG2-CB 3.85Å; I339-V416 HydrophobicContact CG2-CG1 4.23Å; I339-V416 PolarHBondContact N-O 2.97Å; I339-V416 WeakPolarHBondContact O-CB 3.39Å; I339-V416 PolarHBondContact O-N 2.84Å; I339-V416 VanDerWaalsContact O-O 3.1Å; I339-F419 HydrophobicContact CB-CE1 4.44Å; I339-F419 HydrophobicContact CG2-CE1 3.94Å; I339-F419 HydrophobicContact CG2-CZ 4.36Å; I339-I425 HydrophobicContact CG2-CD1 3.74Å
340N94.7Very high82.5Confident10 Ų1062.8 Ų62.85%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-119144.5-177.7-51.1-46.2000110.3T313 Y315 Y316 V414 Y415T313-N340 HydrophobicContact CG2-CB 4.49Å; T313-N340 VanDerWaalsContact CG2-ND2 3.28Å; T313-N340 WeakPolarHBondContact CG2-ND2 3.38Å; T313-N340 PolarHBondContact OG1-ND2 3.48Å; T313-N340 VanDerWaalsContact OG1-ND2 3.11Å; Y315-N340 WeakPolarHBondContact CA-O 3.39Å; Y315-N340 HydrophobicContact CD1-CB 3.65Å; Y315-N340 HydrophobicContact CE1-CB 4.02Å; Y315-N340 HydrophobicContact CG-CB 4.4Å; Y316-N340 PolarHBondContact N-O 3.37Å; N340-V414 CarbonylContact C-O 3.5Å; N340-V414 WeakPolarHBondContact CA-O 3.07Å; N340-Y415 HydrophobicContact CB-CD1 4.27Å; N340-Y415 WeakPolarHBondContact OD1-CD1 3.26Å
341F93.2Very high81.6Confident0 Ų058 Ų580%029%0.291CS..EExtended strand (participates in β ladder)trans-125.1152179.4-49.1-78.8000110.7Y316 L318 F326 I339 V414 V416 V427Y316-F341 HydrophobicContact CD1-CD1 4.29Å; Y316-F341 HydrophobicContact CG-CD1 4.47Å; Y316-F341 WeakPolarHBondContact O-CA 3.4Å; L318-F341 HydrophobicContact CD1-CB 3.51Å; L318-F341 HydrophobicContact CD1-CD1 4.22Å; L318-F341 HydrophobicContact CD1-CG 3.93Å; L318-F341 HydrophobicContact CD2-CD1 3.88Å; L318-F341 HydrophobicContact CD2-CG 4.42Å; L318-F341 HydrophobicContact CG-CB 3.83Å; L318-F341 HydrophobicContact CG-CD1 4.1Å; L318-F341 HydrophobicContact CG-CG 4.24Å; F326-F341 AromaticContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CE1 3.91Å; F326-F341 HydrophobicContact CD2-CZ 4.09Å; F326-F341 HydrophobicContact CE1-CE1 4.37Å; F326-F341 HydrophobicContact CE2-CD1 4.29Å; F326-F341 AromaticContact CE2-CE1 3.37Å; F326-F341 HydrophobicContact CE2-CE1 3.37Å; F326-F341 AromaticContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CE2-CZ 3.99Å; F326-F341 HydrophobicContact CZ-CD1 4.38Å; F326-F341 AromaticContact CZ-CE1 3.64Å; F326-F341 HydrophobicContact CZ-CE1 3.64Å; I339-F341 HydrophobicContact CB-CZ 4.35Å; I339-F341 HydrophobicContact CD1-CE1 3.72Å; I339-F341 HydrophobicContact CD1-CZ 3.64Å; I339-F341 HydrophobicContact CG1-CE1 3.9Å; I339-F341 HydrophobicContact CG1-CE2 4.36Å; I339-F341 HydrophobicContact CG1-CZ 3.71Å; I339-F341 HydrophobicContact CG2-CE2 3.86Å; I339-F341 HydrophobicContact CG2-CZ 3.71Å; F341-V414 HydrophobicContact CB-CB 4.17Å; F341-V414 HydrophobicContact CD2-CB 4.34Å; F341-V414 HydrophobicContact CD2-CG1 4.19Å; F341-V414 PolarHBondContact N-O 3.43Å; F341-V414 PolarHBondContact O-N 3.14Å; F341-V416 HydrophobicContact CD2-CG2 4.2Å; F341-V416 HydrophobicContact CE2-CB 4.45Å; F341-V416 HydrophobicContact CE2-CG2 3.76Å; F341-V427 HydrophobicContact CD1-CG1 4.46Å; F341-V427 HydrophobicContact CE1-CG1 4.21Å; F341-V427 HydrophobicContact CZ-CG1 4.28Å
342V89.3Confident81.2Confident13 Ų1351 Ų518%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-125.3135.8170.865.50000108.7L306 Y315 Y316 N317 L318 T411 F412 Y413L306-V342 HydrophobicContact CD1-CG1 4.19Å; Y315-V342 HydrophobicContact CG-CB 4.5Å; Y316-V342 PolarHBondContact O-N 3.19Å; N317-V342 HydrophobicContact CB-CG1 4.28Å; L318-V342 PolarHBondContact N-O 2.85Å; V342-T411 HydrophobicContact CG2-CG2 3.21Å; V342-F412 WeakPolarHBondContact CA-O 3.48Å; V342-Y413 HydrophobicContact CB-CD1 4.29Å; V342-Y413 HydrophobicContact CB-CE1 4.46Å; V342-Y413 HydrophobicContact CG2-CD1 3.97Å; V342-Y413 HydrophobicContact CG2-CE1 3.82Å
343A86Confident81.2Confident4 Ų445.6 Ų45.63%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-132.2117.217800000108.9L318 I320 F412L318-A343 HydrophobicContact CB-CB 4.34Å; I320-A343 HydrophobicContact CD1-CB 3.95Å; A343-F412 HydrophobicContact CB-CB 4.39Å; A343-F412 PolarHBondContact N-O 2.04Å; A343-F412 PolarHBondContact O-N 2.88Å
344T80.1Confident81.2Confident62 Ų6245.7 Ų45.738%0.3823%0.229SC..  trans-113.5102.9178-54.40000108.4E346T344-E346 PolarHBondContact O-N 3.49Å
345P74Confident81.2Confident18 Ų1840.4 Ų40.412%0.11721%0.214CC..  trans-65121.8176.724.4-32.8000110.9Q347 I410 F412 I431P345-Q347 VanDerWaalsContact C-N 3.28Å; P345-Q347 PolarHBondContact O-N 2.84Å; P345-I410 WeakPolarHBondContact CD-O 3.21Å; P345-F412 HydrophobicContact CG-CD2 4.5Å; P345-F412 HydrophobicContact CG-CE2 4.27Å; P345-I431 HydrophobicContact CB-CD1 4.15Å
346E67.5Low81.5Confident187 Ų18738.3 Ų38.387%0.87420%0.204SC*.SBendtrans-72.7-21.4177.3-65.4-175.5170.700112.8T344T344-E346 PolarHBondContact O-N 3.49Å
347Q64.5Low81.5Confident95 Ų9539.9 Ų39.944%0.44422%0.215SC..  trans-109.2106.6-175.8-64.6177.624.200110.6P345 N349P345-Q347 VanDerWaalsContact C-N 3.28Å; P345-Q347 PolarHBondContact O-N 2.84Å; Q347-N349 PolarHBondContact O-N 3.13Å
348A55.8Low81.5Confident30 Ų3037.2 Ų37.225%0.24820%0.199CC..THydrogen-bonded Turntrans-70.63.7-172.300000116.2F404A348-F404 WeakPolarHBondContact O-CB 3.27Å
349N57.9Low81.4Confident108 Ų10839.6 Ų39.658%0.57822%0.215SC*.THydrogen-bonded Turntrans-129.722.7-170.4-71.3-23.6000114.3Q347Q347-N349 PolarHBondContact O-N 3.13Å
350K66.9Low81.3Confident70 Ų7042 Ų4230%0.30423%0.228SC..EExtended strand (participates in β ladder)trans-132.3153.2-178.4-65.7-172.4176.8170.90111.2I431 H432K350-I431 HydrophobicContact CB-CG2 3.27Å; K350-I431 HydrophobicContact CD-CG2 3.14Å; K350-I431 HydrophobicContact CG-CG2 3.85Å; K350-H432 WeakPolarHBondContact CB-O 3.24Å
351N71.4Confident81.2Confident32 Ų3244.5 Ų44.517%0.17124%0.241CC..EExtended strand (participates in β ladder)trans-76.4132.5-179.9-62.2-27.6000109.1S398 C399 I431 H432 S434N351-S398 VanDerWaalsContact OD1-CA 3.27Å; N351-S398 WeakPolarHBondContact OD1-CA 3.3Å; N351-C399 PolarHBondContact OD1-N 2.82Å; N351-I431 WeakPolarHBondContact O-CA 3.43Å; N351-H432 PolarHBondContact N-O 3.42Å; N351-H432 PolarHBondContact O-N 2.98Å; N351-S434 PolarHBondContact ND2-OG 3.19Å; N351-S434 PolarHBondContact OD1-OG 3.25Å
352L77.4Confident81.3Confident4 Ų444.5 Ų44.52%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-92.9114.2174.6179.267.8000108.5I320 F397 F412 I431I320-L352 HydrophobicContact CD1-CD1 4.1Å; I320-L352 HydrophobicContact CG2-CD1 4.2Å; L352-F397 HydrophobicContact CB-CB 4.5Å; L352-F397 PolarHBondContact N-O 3.2Å; L352-F397 WeakPolarHBondContact O-CD2 3.39Å; L352-F397 PolarHBondContact O-N 2.85Å; L352-F412 HydrophobicContact CD2-CD2 3.43Å; L352-F412 VanDerWaalsContact CD2-CD2 3.43Å; L352-F412 HydrophobicContact CD2-CE2 3.52Å; L352-F412 HydrophobicContact CD2-CG 3.99Å; L352-F412 HydrophobicContact CD2-CZ 4.15Å; L352-I431 HydrophobicContact CD1-CG1 4.17Å
353E83.8Confident81.6Confident23 Ų2345.4 Ų45.411%0.10725%0.246CC..EExtended strand (participates in β ladder)trans-95.2120.2168.4-178.5170.3-135.800109.3R394 D395 G429 E430 H432E353-R394 HydrophobicContact CG-CG 4.47Å; E353-R394 IonicContact OE1-CZ 2.8Å; E353-R394 IonicContact OE1-NE 2.76Å; E353-R394 PolarHBondContact OE1-NE 2.81Å; E353-R394 IonicContact OE1-NH2 3.91Å; E353-R394 PolarHBondContact OE1-NH2 3.2Å; E353-R394 IonicContact OE2-CZ 2.94Å; E353-R394 IonicContact OE2-NE 2.69Å; E353-R394 IonicContact OE2-NH2 3.06Å; E353-R394 PolarHBondContact OE2-NH2 3.33Å; E353-D395 WeakPolarHBondContact CA-O 2.96Å; E353-G429 CarbonylContact O-C 3.56Å; E353-G429 WeakPolarHBondContact O-CA 3.31Å; E353-E430 HydrophobicContact CB-CB 4.43Å; E353-E430 PolarHBondContact N-O 3.43Å; E353-E430 PolarHBondContact O-N 2.76Å; E353-H432 IonicContact OE2-CD2 2.89Å; E353-H432 IonicContact OE2-CE1 2.93Å; E353-H432 IonicContact OE2-NE2 3.45Å; E353-H432 PolarHBondContact OE2-NE2 3.15Å
354M86.6Confident82Confident9 Ų945.4 Ų45.44%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-106.7129.3174.5-170.6169.1-166.700110.1L318 I366 R394 D395 F397 V414 V427L318-M354 HydrophobicContact CD1-CE 4.14Å; M354-I366 HydrophobicContact SD-CD1 3.91Å; M354-R394 WeakPolarHBondContact O-CA 3.23Å; M354-D395 PolarHBondContact N-O 2.82Å; M354-D395 PolarHBondContact O-N 2.79Å; M354-F397 HydrophobicContact CB-CD2 4.47Å; M354-F397 HydrophobicContact CB-CE2 3.81Å; M354-V414 HydrophobicContact CE-CB 3.93Å; M354-V414 HydrophobicContact CE-CG1 3.64Å; M354-V414 HydrophobicContact CE-CG2 3.45Å; M354-V414 VanDerWaalsContact CE-CG2 3.45Å; M354-V414 HydrophobicContact SD-CB 4.31Å; M354-V414 HydrophobicContact SD-CG1 4.16Å; M354-V414 HydrophobicContact SD-CG2 3.31Å; M354-V414 WeakPolarHBondContact SD-CG2 3.47Å; M354-V427 HydrophobicContact CE-CG2 3.35Å
355S90.3Very high82.6Confident30 Ų3045.2 Ų45.221%0.2124%0.241CC..EExtended strand (participates in β ladder)trans-124.3136.9169.863.30000110.9H393 V427 R428S355-H393 CarbonylContact C-O 3.52Å; S355-H393 WeakPolarHBondContact CA-O 3.23Å; S355-V427 WeakPolarHBondContact O-CA 3.33Å; S355-R428 PolarHBondContact N-O 3.15Å; S355-R428 PolarHBondContact O-N 3.47Å; S355-R428 PolarHBondContact OG-O 3.27Å
356I93.7Very high83.4Confident4 Ų444.4 Ų44.42%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-136.7134.6174.6-175.1168.3000109.6F362 L364 E392 H393 V416 I425 Q426 V427I356-F362 HydrophobicContact CD1-CE2 4Å; I356-F362 HydrophobicContact CD1-CZ 4.1Å; I356-F362 HydrophobicContact CG1-CE2 4.29Å; I356-F362 HydrophobicContact CG1-CZ 3.91Å; I356-F362 HydrophobicContact CG2-CE2 4.15Å; I356-F362 HydrophobicContact CG2-CZ 3.97Å; I356-L364 HydrophobicContact CD1-CD1 4.39Å; I356-L364 HydrophobicContact CG2-CD1 4.23Å; I356-L364 HydrophobicContact CG2-CD2 3.8Å; I356-E392 CarbonylContact O-C 3.55Å; I356-E392 VanDerWaalsContact O-CA 3.27Å; I356-E392 WeakPolarHBondContact O-CA 2.99Å; I356-H393 HydrophobicContact CG2-CB 3.9Å; I356-H393 PolarHBondContact N-O 2.01Å; I356-H393 PolarHBondContact O-N 2.77Å; I356-V416 HydrophobicContact CD1-CG2 3.35Å; I356-I425 HydrophobicContact CD1-CG2 4.02Å; I356-I425 HydrophobicContact CG1-CG2 4.13Å; I356-Q426 CarbonylContact C-O 3.55Å; I356-Q426 VanDerWaalsContact CA-O 3.31Å; I356-Q426 WeakPolarHBondContact CA-O 3.1Å; I356-V427 HydrophobicContact CG1-CB 4.47Å
357N93.9Very high84.3Confident65 Ų6535.8 Ų35.835%0.34820%0.196SC..EExtended strand (participates in β ladder)trans-138.3139.3178.9-173.7-10000109.1K391 E392 I425 Q426N357-K391 CarbonylContact C-O 3.33Å; N357-K391 WeakPolarHBondContact CA-O 3.35Å; N357-K391 PolarHBondContact OD1-O 3.16Å; N357-E392 HydrophobicContact CB-CB 4.33Å; N357-I425 CarbonylContact O-C 3.49Å; N357-I425 WeakPolarHBondContact O-CA 3.49Å; N357-Q426 PolarHBondContact N-O 2.86Å; N357-Q426 PolarHBondContact O-N 2.03Å
358A94.6Very high85.1Confident6 Ų632.8 Ų32.85%0.0518%0.181CC..EExtended strand (participates in β ladder)trans-138.3158174.200000113.1N360 F362 K391 I423 K424 I425A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 2.66Å; A358-F362 HydrophobicContact CB-CD1 3.56Å; A358-F362 HydrophobicContact CB-CE1 3.5Å; A358-F362 VanDerWaalsContact CB-CE1 3.5Å; A358-K391 PolarHBondContact N-O 3.48Å; A358-I423 HydrophobicContact CB-CD1 3.9Å; A358-I423 HydrophobicContact CB-CG1 4.21Å; A358-K424 CarbonylContact C-O 3.54Å; A358-K424 WeakPolarHBondContact CA-O 3.46Å; A358-K424 WeakPolarHBondContact CB-O 3.36Å; A358-I425 HydrophobicContact CB-CB 4.46Å; A358-I425 HydrophobicContact CB-CG1 3.95Å
359S93.2Very high86.1Confident61 Ų6131.5 Ų31.543%0.42717%0.17SC..EExtended strand (participates in β ladder)trans-68-32.6178.960.20000113.3K424S359-K424 PolarHBondContact N-O 2.85Å; S359-K424 PolarHBondContact OG-N 3Å
360N92.6Very high86.5Confident51 Ų5129.5 Ų29.527%0.27316%0.156SC..EExtended strand (participates in β ladder)trans-116.3166.9178-64.4-11.5000110.2A358 S420 P422 I423A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 2.66Å; N360-S420 PolarHBondContact ND2-O 2.85Å; N360-S420 VanDerWaalsContact ND2-O 3.16Å; N360-P422 PolarHBondContact ND2-O 3.26Å; N360-I423 HydrophobicContact CB-CD1 3.95Å; N360-I423 HydrophobicContact CB-CG1 4.23Å
361N93.7Very high85.9Confident62 Ų6229.1 Ų29.133%0.33216%0.163SC..EExtended strand (participates in β ladder)trans-70.7144.6178.4-58.65.6000110.8N389 I390 K391N361-N389 WeakPolarHBondContact CB-OD1 3.27Å; N361-N389 PolarHBondContact ND2-OD1 2.92Å; N361-I390 CarbonylContact C-O 3.52Å; N361-I390 VanDerWaalsContact CA-O 3.27Å; N361-I390 WeakPolarHBondContact CA-O 3.14Å; N361-K391 WeakPolarHBondContact OD1-CE 3.33Å; N361-K391 WeakPolarHBondContact OD1-CG 3.33Å
362F95Very high84.9Confident0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-141.9164.4176.460.8-88.1000111.1I356 A358 L364 N389 I390 K391 V416 F419I356-F362 HydrophobicContact CD1-CE2 4Å; I356-F362 HydrophobicContact CD1-CZ 4.1Å; I356-F362 HydrophobicContact CG1-CE2 4.29Å; I356-F362 HydrophobicContact CG1-CZ 3.91Å; I356-F362 HydrophobicContact CG2-CE2 4.15Å; I356-F362 HydrophobicContact CG2-CZ 3.97Å; A358-F362 HydrophobicContact CB-CD1 3.56Å; A358-F362 HydrophobicContact CB-CE1 3.5Å; A358-F362 VanDerWaalsContact CB-CE1 3.5Å; F362-L364 HydrophobicContact CD2-CB 4.16Å; F362-L364 HydrophobicContact CE2-CB 3.9Å; F362-L364 HydrophobicContact CE2-CD1 4.29Å; F362-L364 HydrophobicContact CE2-CD2 4.49Å; F362-L364 HydrophobicContact CE2-CG 4.46Å; F362-N389 PolarHBondContact O-N 3.01Å; F362-N389 VanDerWaalsContact O-N 3.14Å; F362-I390 VanDerWaalsContact CD1-O 3.28Å; F362-I390 WeakPolarHBondContact CD1-O 3.48Å; F362-I390 HydrophobicContact CD2-CG1 4.3Å; F362-I390 HydrophobicContact CE2-CD1 3.97Å; F362-I390 HydrophobicContact CE2-CG1 4.07Å; F362-I390 HydrophobicContact CZ-CD1 4.22Å; F362-I390 HydrophobicContact CZ-CG1 4.3Å; F362-I390 PolarHBondContact N-O 2.94Å; F362-I390 WeakPolarHBondContact O-CG1 3.4Å; F362-I390 PolarHBondContact O-N 3.01Å; F362-K391 VanDerWaalsContact CE1-O 3.29Å; F362-K391 WeakPolarHBondContact CE1-O 3.04Å; F362-V416 HydrophobicContact CB-CG1 3.89Å; F362-V416 HydrophobicContact CD2-CG1 3.67Å; F362-V416 HydrophobicContact CE2-CG1 4.38Å; F362-V416 HydrophobicContact CG-CG1 3.88Å; F362-F419 HydrophobicContact CB-CB 4.21Å
363N95.3Very high83.3Confident33 Ų3332.8 Ų32.818%0.17619%0.187CC..EExtended strand (participates in β ladder)trans-96.9135.7167.6-65.8-8.2000109.2M388 N389 V416 S417 N418N363-M388 VanDerWaalsContact OD1-CA 3.3Å; N363-M388 WeakPolarHBondContact OD1-CA 3.39Å; N363-N389 PolarHBondContact OD1-N 2.83Å; N363-V416 WeakPolarHBondContact O-CA 3.26Å; N363-S417 WeakPolarHBondContact CB-O 3.32Å; N363-S417 PolarHBondContact N-O 3.47Å; N363-S417 PolarHBondContact O-N 3.05Å; N363-N418 HydrophobicContact CB-CB 4.42Å
364L94.6Very high81.3Confident3 Ų336.4 Ų36.42%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-119.7127.3-178.6-177.564.5000109.7I356 F362 I366 A386 R387 I390 H393 V414 Y415 V416I356-L364 HydrophobicContact CD1-CD1 4.39Å; I356-L364 HydrophobicContact CG2-CD1 4.23Å; I356-L364 HydrophobicContact CG2-CD2 3.8Å; F362-L364 HydrophobicContact CD2-CB 4.16Å; F362-L364 HydrophobicContact CE2-CB 3.9Å; F362-L364 HydrophobicContact CE2-CD1 4.29Å; F362-L364 HydrophobicContact CE2-CD2 4.49Å; F362-L364 HydrophobicContact CE2-CG 4.46Å; L364-I366 HydrophobicContact CD1-CD1 4.42Å; L364-I366 HydrophobicContact CD1-CG1 4.09Å; L364-I366 HydrophobicContact CD2-CD1 4.11Å; L364-I366 HydrophobicContact CD2-CG1 4.39Å; L364-I366 HydrophobicContact CG-CD1 4.35Å; L364-I366 HydrophobicContact CG-CG1 4.08Å; L364-A386 WeakPolarHBondContact O-CA 3.49Å; L364-R387 HydrophobicContact CB-CB 4.49Å; L364-R387 PolarHBondContact N-O 3.08Å; L364-R387 PolarHBondContact O-N 3.45Å; L364-R387 VanDerWaalsContact O-O 3.07Å; L364-I390 HydrophobicContact CB-CD1 3.91Å; L364-I390 HydrophobicContact CD2-CD1 4.06Å; L364-H393 HydrophobicContact CD2-CB 3.66Å; L364-H393 WeakPolarHBondContact CD2-CD2 3.39Å; L364-V414 HydrophobicContact CD1-CG1 3.69Å; L364-Y415 WeakPolarHBondContact CA-O 3.15Å; L364-V416 HydrophobicContact CD1-CG2 4.08Å
365N92.7Very high79.3Confident58 Ų5837.8 Ų37.831%0.3124%0.238SC..EExtended strand (participates in β ladder)trans-127.9123.6167.6-173.310.4000108.8S383 I385 Y415N365-S383 PolarHBondContact OD1-OG 3Å; N365-I385 CarbonylContact C-O 3.4Å; N365-I385 VanDerWaalsContact CA-O 3.31Å; N365-I385 WeakPolarHBondContact CA-O 3.46Å; N365-I385 PolarHBondContact OD1-O 3.4Å; N365-Y415 HydrophobicContact CB-CD2 4.47Å; N365-Y415 PolarHBondContact N-O 2.94Å; N365-Y415 PolarHBondContact O-N 3.16Å
366I89.7Confident76.9Confident1 Ų140.3 Ų40.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-114120.5176.5-56.4179.4000107.5M354 L364 V384 I385 F397 F412 Y413 V414M354-I366 HydrophobicContact SD-CD1 3.91Å; L364-I366 HydrophobicContact CD1-CD1 4.42Å; L364-I366 HydrophobicContact CD1-CG1 4.09Å; L364-I366 HydrophobicContact CD2-CD1 4.11Å; L364-I366 HydrophobicContact CD2-CG1 4.39Å; L364-I366 HydrophobicContact CG-CD1 4.35Å; L364-I366 HydrophobicContact CG-CG1 4.08Å; I366-V384 PolarHBondContact O-N 3.13Å; I366-I385 HydrophobicContact CB-CB 4.19Å; I366-I385 HydrophobicContact CD1-CD1 4.33Å; I366-I385 HydrophobicContact CG1-CB 4.48Å; I366-I385 PolarHBondContact N-O 2.96Å; I366-I385 PolarHBondContact O-N 3.24Å; I366-F397 HydrophobicContact CD1-CZ 4.03Å; I366-F397 HydrophobicContact CG2-CZ 4.09Å; I366-F412 HydrophobicContact CG2-CD1 4.4Å; I366-Y413 WeakPolarHBondContact CA-O 3.35Å; I366-V414 HydrophobicContact CG1-CG1 4.17Å; I366-V414 HydrophobicContact CG1-CG2 4.21Å; I366-V414 HydrophobicContact CG2-CG2 4.22Å
367T87.6Confident74.7Confident7 Ų744 Ų444%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-118.4160.9174.971.40000109.5E381 M382 F412 Y413 Y415T367-E381 PolarHBondContact OG1-OE2 2.85Å; T367-M382 CarbonylContact C-O 3.58Å; T367-M382 WeakPolarHBondContact CA-O 3.48Å; T367-M382 WeakPolarHBondContact CB-O 3.33Å; T367-F412 WeakPolarHBondContact O-CA 3.27Å; T367-Y413 PolarHBondContact N-O 2.92Å; T367-Y413 PolarHBondContact O-N 3.43Å; T367-Y413 WeakPolarHBondContact OG1-CB 3.1Å; T367-Y415 HydrophobicContact CG2-CD2 4.47Å; T367-Y415 HydrophobicContact CG2-CE2 4.1Å
368W81.5Confident72.3Confident32 Ų3245.7 Ų45.712%0.12129%0.288CS..EExtended strand (participates in β ladder)trans-133.8155.2171.673.6-66.9000109.8F370 M382 V384 F402 I410 T411 F412W368-F370 HydrophobicContact CZ3-CB 4.43Å; W368-M382 VanDerWaalsContact CD1-O 3.29Å; W368-M382 HydrophobicContact CD2-CE 4.36Å; W368-M382 HydrophobicContact CH2-CE 3.6Å; W368-M382 HydrophobicContact CZ2-CE 3.22Å; W368-M382 HydrophobicContact CZ2-SD 4.08Å; W368-M382 HydrophobicContact CZ3-CE 4.28Å; W368-M382 PolarHBondContact N-O 3.18Å; W368-M382 PolarHBondContact O-N 3.04Å; W368-V384 HydrophobicContact CB-CG2 4.45Å; W368-V384 HydrophobicContact CG-CG2 4.09Å; W368-F402 HydrophobicContact CD2-CD1 4.5Å; W368-F402 AromaticContact CE2-CD1 4Å; W368-F402 HydrophobicContact CZ2-CD1 4.23Å; W368-I410 HydrophobicContact CE3-CG1 4.49Å; W368-I410 HydrophobicContact CE3-CG2 4.1Å; W368-I410 HydrophobicContact CZ3-CG1 4.41Å; W368-T411 WeakPolarHBondContact CA-O 2.92Å; W368-F412 HydrophobicContact CB-CD1 3.91Å; W368-F412 HydrophobicContact CB-CE1 3.97Å
369S75.8Confident70.3Confident2 Ų246.2 Ų46.21%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-138.9149.7175.163.30000110.7S372 T411 Y413S369-S372 WeakPolarHBondContact OG-CB 3.44Å; S369-S372 PolarHBondContact OG-OG 3.25Å; S369-T411 PolarHBondContact N-O 3.05Å; S369-T411 PolarHBondContact O-N 3.4Å; S369-Y413 WeakPolarHBondContact OG-CE2 3.47Å
370F67.4Low68.8Low66 Ų6652.1 Ų52.129%0.28931%0.314SS..EExtended strand (participates in β ladder)trans-101.1127169.1-164.5-108.7000108.3W368 H407 I410W368-F370 HydrophobicContact CZ3-CB 4.43Å; F370-H407 AromaticContact CD1-CD2 3.65Å; F370-H407 AromaticContact CD1-CE1 3.35Å; F370-H407 WeakPolarHBondContact CD1-CE1 3.15Å; F370-H407 AromaticContact CD1-CG 3.7Å; F370-H407 AromaticContact CD1-ND1 3.52Å; F370-H407 AromaticContact CD1-NE2 3.45Å; F370-H407 WeakPolarHBondContact CD1-NE2 3.21Å; F370-H407 HydrophobicContact CD2-CB 3.3Å; F370-H407 AromaticContact CD2-CD2 3.37Å; F370-H407 WeakPolarHBondContact CD2-CD2 3.38Å; F370-H407 AromaticContact CD2-CG 3.2Å; F370-H407 AromaticContact CD2-ND1 3.86Å; F370-H407 HydrophobicContact CE1-CB 4.23Å; F370-H407 AromaticContact CE1-CD2 3.89Å; F370-H407 AromaticContact CE1-CE1 3.15Å; F370-H407 WeakPolarHBondContact CE1-CE1 3.43Å; F370-H407 AromaticContact CE1-CG 3.45Å; F370-H407 VanDerWaalsContact CE1-CG 3.45Å; F370-H407 AromaticContact CE1-ND1 2.96Å; F370-H407 WeakPolarHBondContact CE1-ND1 3.38Å; F370-H407 AromaticContact CE1-NE2 3.74Å; F370-H407 HydrophobicContact CE2-CB 2.89Å; F370-H407 AromaticContact CE2-CD2 3.74Å; F370-H407 AromaticContact CE2-CG 3.04Å; F370-H407 AromaticContact CE2-ND1 3.45Å; F370-H407 WeakPolarHBondContact CE2-ND1 3.49Å; F370-H407 HydrophobicContact CG-CB 4.21Å; F370-H407 AromaticContact CG-CD2 3.4Å; F370-H407 VanDerWaalsContact CG-CD2 3.4Å; F370-H407 WeakPolarHBondContact CG-CD2 3.02Å; F370-H407 AromaticContact CG-CE1 3.96Å; F370-H407 AromaticContact CG-CG 3.6Å; F370-H407 AromaticContact CG-ND1 3.95Å; F370-H407 AromaticContact CG-NE2 3.67Å; F370-H407 HydrophobicContact CZ-CB 3.41Å; F370-H407 VanDerWaalsContact CZ-CB 3.41Å; F370-H407 AromaticContact CZ-CD2 3.95Å; F370-H407 AromaticContact CZ-CE1 3.67Å; F370-H407 AromaticContact CZ-CG 3.14Å; F370-H407 AromaticContact CZ-ND1 2.95Å; F370-H407 WeakPolarHBondContact CZ-ND1 3.3Å; F370-I410 HydrophobicContact CD2-CG1 3.88Å; F370-I410 HydrophobicContact CE2-CG1 4.31Å
371S53.6Low67.9Low63 Ų6352.6 Ų52.644%0.44132%0.315SS..SBendtrans86.420.3-178.881.40000119.1T373 N409S371-T373 PolarHBondContact O-N 3.16Å; S371-N409 PolarHBondContact N-O 3.22Å
372S49.3Very low67.1Low10 Ų1054 Ų547%0.0732%0.321CS..  trans-76.5100170.7290000110.8S369 T411 Y413S369-S372 WeakPolarHBondContact OG-CB 3.44Å; S369-S372 PolarHBondContact OG-OG 3.25Å; S372-T411 WeakPolarHBondContact OG-CB 3.41Å; S372-T411 PolarHBondContact OG-OG1 2.8Å; S372-T411 VanDerWaalsContact OG-OG1 3.05Å; S372-Y413 WeakPolarHBondContact CB-OH 3.14Å
373T44.4Very low66.4Low102 Ų10257.7 Ų57.763%0.62635%0.346SS*.  trans-72.6131.2164.9-33.50000107.1S371 G375 T376S371-T373 PolarHBondContact O-N 3.16Å; T373-G375 PolarHBondContact O-N 3.28Å; T373-T376 PolarHBondContact O-N 2.83Å; T373-T376 VanDerWaalsContact O-N 3.17Å; T373-T376 PolarHBondContact O-OG1 3.45Å
374A41.7Very low65.7Low100 Ų10058.3 Ų58.383%0.82635%0.351SS*.THydrogen-bonded Turntrans-30.7101-17000000115.2
375G44.4Very low65.3Low38 Ų3858.4 Ų58.439%0.39235%0.352SS..THydrogen-bonded Turntrans93.72.216800000117.5T373T373-G375 PolarHBondContact O-N 3.28Å
376T40.4Very low65.2Low83 Ų8358.6 Ų58.651%0.50936%0.361SS..  trans-111.8111.7170.752.50000111.4T373 S378T373-T376 PolarHBondContact O-N 2.83Å; T373-T376 VanDerWaalsContact O-N 3.17Å; T373-T376 PolarHBondContact O-OG1 3.45Å; T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.96Å
377I47.9Very low65.2Low82 Ų8264.3 Ų64.342%0.42138%0.383SS..  trans-75.486.8173.5-46.9164.3000107.4
378S43.2Very low65.4Low100 Ų10071 Ų7170%0.69942%0.415SS*.  trans-1202.3169.173.50000113.4T376T376-S378 VanDerWaalsContact C-N 3.35Å; T376-S378 PolarHBondContact O-N 2.96Å
379G52.4Low65.9Low17 Ų1774.8 Ų74.818%0.17544%0.438CS..SBendtrans-99.9147.9174.400000111.4E381G379-E381 PolarHBondContact O-N 3.07Å
380E61.5Low66.8Low184 Ų18476.4 Ų76.486%0.8645%0.446SS*.  trans-62.4113.1167.2-71.5-176.8153.500109.2
381E74.1Confident67.8Low61 Ų6178.9 Ų78.929%0.28546%0.457SS..PPolyproline II helixtrans-74.5127.5171.2-72.9-174.3-156.100109.8T367 G379 Y413 Y415T367-E381 PolarHBondContact OG1-OE2 2.85Å; G379-E381 PolarHBondContact O-N 3.07Å; E381-Y413 HydrophobicContact CG-CD2 4.15Å; E381-Y413 HydrophobicContact CG-CE2 4.22Å; E381-Y415 PolarHBondContact OE1-OH 3.02Å; E381-Y415 VanDerWaalsContact OE1-OH 3.08Å; E381-Y415 PolarHBondContact OE2-OH 2.75Å
382M76.9Confident69.7Low92 Ų9282.5 Ų82.545%0.45347%0.467SS..EExtended strand (participates in β ladder)trans-100.6126.6173.6-73.1-177.8-8400109.8T367 W368T367-M382 CarbonylContact C-O 3.58Å; T367-M382 WeakPolarHBondContact CA-O 3.48Å; T367-M382 WeakPolarHBondContact CB-O 3.33Å; W368-M382 VanDerWaalsContact CD1-O 3.29Å; W368-M382 HydrophobicContact CD2-CE 4.36Å; W368-M382 HydrophobicContact CH2-CE 3.6Å; W368-M382 HydrophobicContact CZ2-CE 3.22Å; W368-M382 HydrophobicContact CZ2-SD 4.08Å; W368-M382 HydrophobicContact CZ3-CE 4.28Å; W368-M382 PolarHBondContact N-O 3.18Å; W368-M382 PolarHBondContact O-N 3.04Å
383S79.2Confident71.6Confident77 Ų7783.5 Ų83.554%0.53847%0.47SS..EExtended strand (participates in β ladder)trans-74.1130.6175.7-174.90000110.8N365N365-S383 PolarHBondContact OD1-OG 3Å
384V82.5Confident73.8Confident47 Ų4786.5 Ų86.529%0.28547%0.47SS..EExtended strand (participates in β ladder)trans-103.9-46.3176.1-167.10000110.2I366 W368 F397 F402I366-V384 PolarHBondContact O-N 3.13Å; W368-V384 HydrophobicContact CB-CG2 4.45Å; W368-V384 HydrophobicContact CG-CG2 4.09Å; V384-F397 HydrophobicContact CB-CE1 4.26Å; V384-F397 HydrophobicContact CG1-CD1 3.99Å; V384-F397 HydrophobicContact CG1-CE1 3.61Å; V384-F402 HydrophobicContact CG1-CE1 3.83Å; V384-F402 HydrophobicContact CG1-CZ 3.59Å; V384-F402 HydrophobicContact CG2-CE1 4.08Å
385I84.7Confident75.7Confident5 Ų584.8 Ų84.83%0.02645%0.447CS..EExtended strand (participates in β ladder)trans-135.9126-174.9-55-172.8000108.7N365 I366 R387 H393 D395 F397N365-I385 CarbonylContact C-O 3.4Å; N365-I385 VanDerWaalsContact CA-O 3.31Å; N365-I385 WeakPolarHBondContact CA-O 3.46Å; N365-I385 PolarHBondContact OD1-O 3.4Å; I366-I385 HydrophobicContact CB-CB 4.19Å; I366-I385 HydrophobicContact CD1-CD1 4.33Å; I366-I385 HydrophobicContact CG1-CB 4.48Å; I366-I385 PolarHBondContact N-O 2.96Å; I366-I385 PolarHBondContact O-N 3.24Å; I385-R387 HydrophobicContact CG2-CG 3.88Å; I385-H393 VanDerWaalsContact CD1-NE2 3.3Å; I385-H393 WeakPolarHBondContact CD1-NE2 3.13Å; I385-D395 HydrophobicContact CD1-CB 3.69Å; I385-D395 WeakPolarHBondContact CD1-OD2 3.31Å; I385-F397 HydrophobicContact CD1-CE1 3.63Å; I385-F397 HydrophobicContact CD1-CZ 3.54Å; I385-F397 HydrophobicContact CG1-CE1 4.06Å; I385-F397 HydrophobicContact CG1-CZ 4.27Å
386A90.2Very high77.4Confident61 Ų6185.8 Ų85.850%0.50445%0.448SS..EExtended strand (participates in β ladder)trans-123.7124.2164.300000108.5L364L364-A386 WeakPolarHBondContact O-CA 3.49Å
387R91.1Very high79.1Confident121 Ų12182 Ų8246%0.45742%0.424SS..EExtended strand (participates in β ladder)trans-136.6145175.6-64.5-66-176.8-83.1-4.8108.8L364 I385 I390L364-R387 HydrophobicContact CB-CB 4.49Å; L364-R387 PolarHBondContact N-O 3.08Å; L364-R387 PolarHBondContact O-N 3.45Å; L364-R387 VanDerWaalsContact O-O 3.07Å; I385-R387 HydrophobicContact CG2-CG 3.88Å; R387-I390 HydrophobicContact CB-CD1 3.85Å; R387-I390 HydrophobicContact CB-CG1 4.31Å; R387-I390 HydrophobicContact CB-CG2 4.15Å
388M91.9Very high79.8Confident149 Ų14979.7 Ų79.773%0.73442%0.416SS*.EExtended strand (participates in β ladder)trans-124.1145.3-179.8-63.1-173.2-67.800109.8N363 I390N363-M388 VanDerWaalsContact OD1-CA 3.3Å; N363-M388 WeakPolarHBondContact OD1-CA 3.39Å; M388-I390 PolarHBondContact O-N 2.96Å
389N91.9Very high80.6Confident111 Ų11175.6 Ų75.659%0.59439%0.387SS*.EExtended strand (participates in β ladder)trans56.246.3172.7-160.514.7000114.1N361 F362 N363N361-N389 WeakPolarHBondContact CB-OD1 3.27Å; N361-N389 PolarHBondContact ND2-OD1 2.92Å; F362-N389 PolarHBondContact O-N 3.01Å; F362-N389 VanDerWaalsContact O-N 3.14Å; N363-N389 PolarHBondContact OD1-N 2.83Å
390I93.4Very high80.7Confident36 Ų3683.3 Ų83.319%0.18542%0.418CS..EExtended strand (participates in β ladder)trans-109.8157.5-179.856.8159.6000111.5N361 F362 L364 R387 M388 H393N361-I390 CarbonylContact C-O 3.52Å; N361-I390 VanDerWaalsContact CA-O 3.27Å; N361-I390 WeakPolarHBondContact CA-O 3.14Å; F362-I390 VanDerWaalsContact CD1-O 3.28Å; F362-I390 WeakPolarHBondContact CD1-O 3.48Å; F362-I390 HydrophobicContact CD2-CG1 4.3Å; F362-I390 HydrophobicContact CE2-CD1 3.97Å; F362-I390 HydrophobicContact CE2-CG1 4.07Å; F362-I390 HydrophobicContact CZ-CD1 4.22Å; F362-I390 HydrophobicContact CZ-CG1 4.3Å; F362-I390 PolarHBondContact N-O 2.94Å; F362-I390 WeakPolarHBondContact O-CG1 3.4Å; F362-I390 PolarHBondContact O-N 3.01Å; L364-I390 HydrophobicContact CB-CD1 3.91Å; L364-I390 HydrophobicContact CD2-CD1 4.06Å; R387-I390 HydrophobicContact CB-CD1 3.85Å; R387-I390 HydrophobicContact CB-CG1 4.31Å; R387-I390 HydrophobicContact CB-CG2 4.15Å; M388-I390 PolarHBondContact O-N 2.96Å; I390-H393 HydrophobicContact CD1-CB 3.74Å
391K90.1Very high80.5Confident118 Ų11882.8 Ų82.851%0.51341%0.413SS..EExtended strand (participates in β ladder)trans-103.1-30.8173.8-70.8-168.8177-171.20113.8N357 A358 N361 F362N357-K391 CarbonylContact C-O 3.33Å; N357-K391 WeakPolarHBondContact CA-O 3.35Å; N357-K391 PolarHBondContact OD1-O 3.16Å; A358-K391 PolarHBondContact N-O 3.48Å; N361-K391 WeakPolarHBondContact OD1-CE 3.33Å; N361-K391 WeakPolarHBondContact OD1-CG 3.33Å; F362-K391 VanDerWaalsContact CE1-O 3.29Å; F362-K391 WeakPolarHBondContact CE1-O 3.04Å
392E91.4Very high79.6Confident139 Ų13981.6 Ų81.665%0.6541%0.407SS*.EExtended strand (participates in β ladder)trans-144150.3179.264.2-178.7-17400109.9I356 N357I356-E392 CarbonylContact O-C 3.55Å; I356-E392 VanDerWaalsContact O-CA 3.27Å; I356-E392 WeakPolarHBondContact O-CA 2.99Å; N357-E392 HydrophobicContact CB-CB 4.33Å
393H90.8Very high78.5Confident30 Ų3081.2 Ų81.214%0.13941%0.407CS..EExtended strand (participates in β ladder)trans-149.2137.4172.9-172.260.9000109.7S355 I356 L364 I385 I390S355-H393 CarbonylContact C-O 3.52Å; S355-H393 WeakPolarHBondContact CA-O 3.23Å; I356-H393 HydrophobicContact CG2-CB 3.9Å; I356-H393 PolarHBondContact N-O 2.01Å; I356-H393 PolarHBondContact O-N 2.77Å; L364-H393 HydrophobicContact CD2-CB 3.66Å; L364-H393 WeakPolarHBondContact CD2-CD2 3.39Å; I385-H393 VanDerWaalsContact CD1-NE2 3.3Å; I385-H393 WeakPolarHBondContact CD1-NE2 3.13Å; I390-H393 HydrophobicContact CD1-CB 3.74Å
394R88.9Confident77.3Confident165 Ų16577.8 Ų77.862%0.62338%0.382SS*.EExtended strand (participates in β ladder)trans-137.8125.2175.1-177.9176.8179.3173.94.9107.6E353 M354E353-R394 HydrophobicContact CG-CG 4.47Å; E353-R394 IonicContact OE1-CZ 2.8Å; E353-R394 IonicContact OE1-NE 2.76Å; E353-R394 PolarHBondContact OE1-NE 2.81Å; E353-R394 IonicContact OE1-NH2 3.91Å; E353-R394 PolarHBondContact OE1-NH2 3.2Å; E353-R394 IonicContact OE2-CZ 2.94Å; E353-R394 IonicContact OE2-NE 2.69Å; E353-R394 IonicContact OE2-NH2 3.06Å; E353-R394 PolarHBondContact OE2-NH2 3.33Å; M354-R394 WeakPolarHBondContact O-CA 3.23Å
395D82.9Confident75.5Confident64 Ų6485 Ų8534%0.34240%0.404SS..EExtended strand (participates in β ladder)trans-144.3152.4175.9-149.1-16.8000111.2E353 M354 I385 F397E353-D395 WeakPolarHBondContact CA-O 2.96Å; M354-D395 PolarHBondContact N-O 2.82Å; M354-D395 PolarHBondContact O-N 2.79Å; I385-D395 HydrophobicContact CD1-CB 3.69Å; I385-D395 WeakPolarHBondContact CD1-OD2 3.31Å; D395-F397 HydrophobicContact CB-CZ 4.31Å
396S80.9Confident73.7Confident59 Ų5990.4 Ų90.441%0.41343%0.433SS..EExtended strand (participates in β ladder)trans-113.7117.7-179.6-168.50000110.2
397F74.8Confident71.9Confident4 Ų490.4 Ų90.42%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-94.1101.6177.6-53.9-74.6000108.9L352 M354 I366 V384 I385 D395 F402 F412L352-F397 HydrophobicContact CB-CB 4.5Å; L352-F397 PolarHBondContact N-O 3.2Å; L352-F397 WeakPolarHBondContact O-CD2 3.39Å; L352-F397 PolarHBondContact O-N 2.85Å; M354-F397 HydrophobicContact CB-CD2 4.47Å; M354-F397 HydrophobicContact CB-CE2 3.81Å; I366-F397 HydrophobicContact CD1-CZ 4.03Å; I366-F397 HydrophobicContact CG2-CZ 4.09Å; V384-F397 HydrophobicContact CB-CE1 4.26Å; V384-F397 HydrophobicContact CG1-CD1 3.99Å; V384-F397 HydrophobicContact CG1-CE1 3.61Å; I385-F397 HydrophobicContact CD1-CE1 3.63Å; I385-F397 HydrophobicContact CD1-CZ 3.54Å; I385-F397 HydrophobicContact CG1-CE1 4.06Å; I385-F397 HydrophobicContact CG1-CZ 4.27Å; D395-F397 HydrophobicContact CB-CZ 4.31Å; F397-F402 HydrophobicContact CB-CD2 4.3Å; F397-F402 HydrophobicContact CB-CE2 4.02Å; F397-F402 AromaticContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CZ 4.03Å; F397-F412 HydrophobicContact CB-CE1 4.37Å; F397-F412 HydrophobicContact CB-CZ 4.27Å; F397-F412 HydrophobicContact CD1-CE1 4.45Å; F397-F412 HydrophobicContact CD2-CE1 4.41Å; F397-F412 HydrophobicContact CG-CE1 4.16Å
398S62.9Low70.2Confident34 Ų3491.7 Ų91.724%0.23843%0.433CS..  trans-81.1144.7-174.165.30000113.6N351 E400 K401 F402 F404N351-S398 VanDerWaalsContact OD1-CA 3.27Å; N351-S398 WeakPolarHBondContact OD1-CA 3.3Å; S398-E400 PolarHBondContact O-N 3.44Å; S398-E400 VanDerWaalsContact O-N 3.13Å; S398-K401 PolarHBondContact O-N 2.99Å; S398-F402 WeakPolarHBondContact O-CD2 3.34Å; S398-F404 WeakPolarHBondContact O-CE2 3.27Å
399C59Low68.8Low13 Ų1389.2 Ų89.29%0.08842%0.423CS..Hα-helixtrans-56.8-32.9-177.5-171.10000113.6N351 N403 F404N351-C399 PolarHBondContact OD1-N 2.82Å; C399-N403 PolarHBondContact O-N 3.07Å; C399-F404 VanDerWaalsContact CA-CE2 3.43Å; C399-F404 HydrophobicContact CB-CD2 4.02Å; C399-F404 HydrophobicContact CB-CE2 4.41Å; C399-F404 WeakPolarHBondContact O-CD2 3.28Å
400E55.1Low67.9Low180 Ų18084.2 Ų84.284%0.84140%0.396SS*.Hα-helixtrans-78.2-31.3-174.5-60.5-179.2169.100112.9S398S398-E400 PolarHBondContact O-N 3.44Å; S398-E400 VanDerWaalsContact O-N 3.13Å
401K56.7Low67.3Low173 Ų17382.8 Ų82.875%0.75239%0.389SS*.Hα-helixtrans-77.2-31.5179.5-95.6-176.4174.1177.50113.4S398S398-K401 PolarHBondContact O-N 2.99Å
402F56.9Low67.1Low36 Ų3677.2 Ų77.216%0.15837%0.365CS..Hα-helixtrans-110.94.3-174.2-57.9-85.8000113.7W368 V384 F397 S398 F404W368-F402 HydrophobicContact CD2-CD1 4.5Å; W368-F402 AromaticContact CE2-CD1 4Å; W368-F402 HydrophobicContact CZ2-CD1 4.23Å; V384-F402 HydrophobicContact CG1-CE1 3.83Å; V384-F402 HydrophobicContact CG1-CZ 3.59Å; V384-F402 HydrophobicContact CG2-CE1 4.08Å; F397-F402 HydrophobicContact CB-CD2 4.3Å; F397-F402 HydrophobicContact CB-CE2 4.02Å; F397-F402 AromaticContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CE2 3.98Å; F397-F402 HydrophobicContact CD1-CZ 4.03Å; S398-F402 WeakPolarHBondContact O-CD2 3.34Å; F402-F404 HydrophobicContact CB-CD2 4.15Å; F402-F404 HydrophobicContact CB-CE2 3.61Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CE2 4.35Å; F402-F404 HydrophobicContact CG-CE2 4.42Å; F402-F404 PolarHBondContact O-N 3.49Å
403N52.7Low66.9Low83 Ų8371.1 Ų71.144%0.44434%0.336SS..THydrogen-bonded Turntrans51.951.5171.3-153.7-6.8000114.8C399 R405 L406C399-N403 PolarHBondContact O-N 3.07Å; N403-R405 PolarHBondContact O-N 2.89Å; N403-L406 WeakPolarHBondContact ND2-CD1 3.04Å; N403-L406 PolarHBondContact O-N 2.85Å
404F53.7Low67Low6 Ų669.7 Ų69.73%0.02633%0.329CS..G310 helixtrans-61.2-14.5-179.7-59.3-105.1000113.8A348 S398 C399 F402 L406 H407 I410 F412A348-F404 WeakPolarHBondContact O-CB 3.27Å; S398-F404 WeakPolarHBondContact O-CE2 3.27Å; C399-F404 VanDerWaalsContact CA-CE2 3.43Å; C399-F404 HydrophobicContact CB-CD2 4.02Å; C399-F404 HydrophobicContact CB-CE2 4.41Å; C399-F404 WeakPolarHBondContact O-CD2 3.28Å; F402-F404 HydrophobicContact CB-CD2 4.15Å; F402-F404 HydrophobicContact CB-CE2 3.61Å; F402-F404 HydrophobicContact CB-CZ 4.04Å; F402-F404 HydrophobicContact CD2-CE2 4.35Å; F402-F404 HydrophobicContact CG-CE2 4.42Å; F402-F404 PolarHBondContact O-N 3.49Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 3.32Å; F404-H407 PolarHBondContact O-N 3.29Å; F404-I410 HydrophobicContact CB-CD1 3.99Å; F404-I410 HydrophobicContact CD1-CB 4.33Å; F404-I410 HydrophobicContact CD1-CD1 3.23Å; F404-I410 HydrophobicContact CD1-CG1 4.34Å; F404-I410 HydrophobicContact CD1-CG2 4.48Å; F404-I410 HydrophobicContact CE1-CB 4.42Å; F404-I410 HydrophobicContact CE1-CD1 3.81Å; F404-I410 HydrophobicContact CE1-CG2 4.1Å; F404-I410 HydrophobicContact CG-CD1 3.67Å; F404-F412 HydrophobicContact CE1-CE2 4.04Å; F404-F412 HydrophobicContact CE1-CZ 4.1Å; F404-F412 HydrophobicContact CZ-CE2 4.34Å; F404-F412 AromaticContact CZ-CZ 3.99Å; F404-F412 HydrophobicContact CZ-CZ 3.99Å
405R45.3Very low67.2Low197 Ų19763.8 Ų63.874%0.74331%0.307SS*.G310 helixtrans-68.5-27.5-179.2-69.3-167.5-176.9-152.83.9114.2N403 H407N403-R405 PolarHBondContact O-N 2.89Å; R405-H407 VanDerWaalsContact C-N 3.31Å
406L47.2Very low67.8Low120 Ų12060.8 Ų60.863%0.62829%0.291SS*.G310 helixtrans-88.3-7-179.5-72.6167.5000112.5N403 F404N403-L406 WeakPolarHBondContact ND2-CD1 3.04Å; N403-L406 PolarHBondContact O-N 2.85Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-L406 PolarHBondContact O-N 3.32Å
407H53.2Low68.5Low61 Ų6160.1 Ų60.128%0.28229%0.286SS..  trans-148.778.5-143.3-87.54.4000110.6F370 F404 R405 N409 I410F370-H407 AromaticContact CD1-CD2 3.65Å; F370-H407 AromaticContact CD1-CE1 3.35Å; F370-H407 WeakPolarHBondContact CD1-CE1 3.15Å; F370-H407 AromaticContact CD1-CG 3.7Å; F370-H407 AromaticContact CD1-ND1 3.52Å; F370-H407 AromaticContact CD1-NE2 3.45Å; F370-H407 WeakPolarHBondContact CD1-NE2 3.21Å; F370-H407 HydrophobicContact CD2-CB 3.3Å; F370-H407 AromaticContact CD2-CD2 3.37Å; F370-H407 WeakPolarHBondContact CD2-CD2 3.38Å; F370-H407 AromaticContact CD2-CG 3.2Å; F370-H407 AromaticContact CD2-ND1 3.86Å; F370-H407 HydrophobicContact CE1-CB 4.23Å; F370-H407 AromaticContact CE1-CD2 3.89Å; F370-H407 AromaticContact CE1-CE1 3.15Å; F370-H407 WeakPolarHBondContact CE1-CE1 3.43Å; F370-H407 AromaticContact CE1-CG 3.45Å; F370-H407 VanDerWaalsContact CE1-CG 3.45Å; F370-H407 AromaticContact CE1-ND1 2.96Å; F370-H407 WeakPolarHBondContact CE1-ND1 3.38Å; F370-H407 AromaticContact CE1-NE2 3.74Å; F370-H407 HydrophobicContact CE2-CB 2.89Å; F370-H407 AromaticContact CE2-CD2 3.74Å; F370-H407 AromaticContact CE2-CG 3.04Å; F370-H407 AromaticContact CE2-ND1 3.45Å; F370-H407 WeakPolarHBondContact CE2-ND1 3.49Å; F370-H407 HydrophobicContact CG-CB 4.21Å; F370-H407 AromaticContact CG-CD2 3.4Å; F370-H407 VanDerWaalsContact CG-CD2 3.4Å; F370-H407 WeakPolarHBondContact CG-CD2 3.02Å; F370-H407 AromaticContact CG-CE1 3.96Å; F370-H407 AromaticContact CG-CG 3.6Å; F370-H407 AromaticContact CG-ND1 3.95Å; F370-H407 AromaticContact CG-NE2 3.67Å; F370-H407 HydrophobicContact CZ-CB 3.41Å; F370-H407 VanDerWaalsContact CZ-CB 3.41Å; F370-H407 AromaticContact CZ-CD2 3.95Å; F370-H407 AromaticContact CZ-CE1 3.67Å; F370-H407 AromaticContact CZ-CG 3.14Å; F370-H407 AromaticContact CZ-ND1 2.95Å; F370-H407 WeakPolarHBondContact CZ-ND1 3.3Å; F404-H407 PolarHBondContact O-N 3.29Å; R405-H407 VanDerWaalsContact C-N 3.31Å; H407-N409 VanDerWaalsContact C-N 3.29Å; H407-N409 PolarHBondContact O-N 2Å; H407-I410 HydrophobicContact CB-CD1 4.13Å; H407-I410 HydrophobicContact CB-CG1 4.34Å
408H54.6Low69.4Low147 Ų14765.4 Ų65.468%0.68132%0.315SS*.SBendtrans-67.2-16.8-171.6-61.5-54.8000116.1
409N62.8Low70.9Confident98 Ų9864.1 Ų64.152%0.52431%0.305SS..  trans-123.768.9-175.9-65.2-9.8000111.1S371 H407S371-N409 PolarHBondContact N-O 3.22Å; H407-N409 VanDerWaalsContact C-N 3.29Å; H407-N409 PolarHBondContact O-N 2Å
410I73.5Confident72.4Confident5 Ų567 Ų673%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-89.2132.4171.9-70.1163.9000108.7P345 W368 F370 F404 H407 F412P345-I410 WeakPolarHBondContact CD-O 3.21Å; W368-I410 HydrophobicContact CE3-CG1 4.49Å; W368-I410 HydrophobicContact CE3-CG2 4.1Å; W368-I410 HydrophobicContact CZ3-CG1 4.41Å; F370-I410 HydrophobicContact CD2-CG1 3.88Å; F370-I410 HydrophobicContact CE2-CG1 4.31Å; F404-I410 HydrophobicContact CB-CD1 3.99Å; F404-I410 HydrophobicContact CD1-CB 4.33Å; F404-I410 HydrophobicContact CD1-CD1 3.23Å; F404-I410 HydrophobicContact CD1-CG1 4.34Å; F404-I410 HydrophobicContact CD1-CG2 4.48Å; F404-I410 HydrophobicContact CE1-CB 4.42Å; F404-I410 HydrophobicContact CE1-CD1 3.81Å; F404-I410 HydrophobicContact CE1-CG2 4.1Å; F404-I410 HydrophobicContact CG-CD1 3.67Å; H407-I410 HydrophobicContact CB-CD1 4.13Å; H407-I410 HydrophobicContact CB-CG1 4.34Å; I410-F412 HydrophobicContact CG2-CD2 4.26Å; I410-F412 HydrophobicContact CG2-CE2 3.77Å; I410-F412 HydrophobicContact CG2-CZ 4.16Å
411T80.1Confident74.1Confident6 Ų662.7 Ų62.74%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-124.2131.6175.5-56.50000109.3V342 W368 S369 S372 Y413V342-T411 HydrophobicContact CG2-CG2 3.21Å; W368-T411 WeakPolarHBondContact CA-O 2.92Å; S369-T411 PolarHBondContact N-O 3.05Å; S369-T411 PolarHBondContact O-N 3.4Å; S372-T411 WeakPolarHBondContact OG-CB 3.41Å; S372-T411 PolarHBondContact OG-OG1 2.8Å; S372-T411 VanDerWaalsContact OG-OG1 3.05Å; T411-Y413 HydrophobicContact CG2-CE1 4.09Å; T411-Y413 HydrophobicContact CG2-CE2 4.19Å
412F85.1Confident75.9Confident2 Ų257.4 Ų57.41%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-96.5131.8171.3-67.9-89.2000109.9V342 A343 P345 L352 I366 T367 W368 F397 F404 I410V342-F412 WeakPolarHBondContact CA-O 3.48Å; A343-F412 HydrophobicContact CB-CB 4.39Å; A343-F412 PolarHBondContact N-O 2.04Å; A343-F412 PolarHBondContact O-N 2.88Å; P345-F412 HydrophobicContact CG-CD2 4.5Å; P345-F412 HydrophobicContact CG-CE2 4.27Å; L352-F412 HydrophobicContact CD2-CD2 3.43Å; L352-F412 VanDerWaalsContact CD2-CD2 3.43Å; L352-F412 HydrophobicContact CD2-CE2 3.52Å; L352-F412 HydrophobicContact CD2-CG 3.99Å; L352-F412 HydrophobicContact CD2-CZ 4.15Å; I366-F412 HydrophobicContact CG2-CD1 4.4Å; T367-F412 WeakPolarHBondContact O-CA 3.27Å; W368-F412 HydrophobicContact CB-CD1 3.91Å; W368-F412 HydrophobicContact CB-CE1 3.97Å; F397-F412 HydrophobicContact CB-CE1 4.37Å; F397-F412 HydrophobicContact CB-CZ 4.27Å; F397-F412 HydrophobicContact CD1-CE1 4.45Å; F397-F412 HydrophobicContact CD2-CE1 4.41Å; F397-F412 HydrophobicContact CG-CE1 4.16Å; F404-F412 HydrophobicContact CE1-CE2 4.04Å; F404-F412 HydrophobicContact CE1-CZ 4.1Å; F404-F412 HydrophobicContact CZ-CE2 4.34Å; F404-F412 AromaticContact CZ-CZ 3.99Å; F404-F412 HydrophobicContact CZ-CZ 3.99Å; I410-F412 HydrophobicContact CG2-CD2 4.26Å; I410-F412 HydrophobicContact CG2-CE2 3.77Å; I410-F412 HydrophobicContact CG2-CZ 4.16Å
413Y88.8Confident77.6Confident10 Ų1055.8 Ų55.84%0.03928%0.278CS..EExtended strand (participates in β ladder)trans-110134.8170.6-58-80.8000109.5Y315 V342 I366 T367 S369 S372 E381 T411Y315-Y413 AromaticContact CD1-CD1 3.85Å; Y315-Y413 HydrophobicContact CD1-CD1 3.85Å; Y315-Y413 AromaticContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CD1 3.57Å; Y315-Y413 HydrophobicContact CE1-CE1 4.26Å; Y315-Y413 HydrophobicContact CE1-CG 4.33Å; Y315-Y413 HydrophobicContact CG-CD1 4.5Å; V342-Y413 HydrophobicContact CB-CD1 4.29Å; V342-Y413 HydrophobicContact CB-CE1 4.46Å; V342-Y413 HydrophobicContact CG2-CD1 3.97Å; V342-Y413 HydrophobicContact CG2-CE1 3.82Å; I366-Y413 WeakPolarHBondContact CA-O 3.35Å; T367-Y413 PolarHBondContact N-O 2.92Å; T367-Y413 PolarHBondContact O-N 3.43Å; T367-Y413 WeakPolarHBondContact OG1-CB 3.1Å; S369-Y413 WeakPolarHBondContact OG-CE2 3.47Å; S372-Y413 WeakPolarHBondContact CB-OH 3.14Å; E381-Y413 HydrophobicContact CG-CD2 4.15Å; E381-Y413 HydrophobicContact CG-CE2 4.22Å; T411-Y413 HydrophobicContact CG2-CE1 4.09Å; T411-Y413 HydrophobicContact CG2-CE2 4.19Å
414V91.8Very high79.6Confident0 Ų056.8 Ų56.80%028%0.278CS..EExtended strand (participates in β ladder)trans-128.4110.4-174179.90000107.5N340 F341 M354 L364 I366 V416N340-V414 CarbonylContact C-O 3.5Å; N340-V414 WeakPolarHBondContact CA-O 3.07Å; F341-V414 HydrophobicContact CB-CB 4.17Å; F341-V414 HydrophobicContact CD2-CB 4.34Å; F341-V414 HydrophobicContact CD2-CG1 4.19Å; F341-V414 PolarHBondContact N-O 3.43Å; F341-V414 PolarHBondContact O-N 3.14Å; M354-V414 HydrophobicContact CE-CB 3.93Å; M354-V414 HydrophobicContact CE-CG1 3.64Å; M354-V414 HydrophobicContact CE-CG2 3.45Å; M354-V414 VanDerWaalsContact CE-CG2 3.45Å; M354-V414 HydrophobicContact SD-CB 4.31Å; M354-V414 HydrophobicContact SD-CG1 4.16Å; M354-V414 HydrophobicContact SD-CG2 3.31Å; M354-V414 WeakPolarHBondContact SD-CG2 3.47Å; L364-V414 HydrophobicContact CD1-CG1 3.69Å; I366-V414 HydrophobicContact CG1-CG1 4.17Å; I366-V414 HydrophobicContact CG1-CG2 4.21Å; I366-V414 HydrophobicContact CG2-CG2 4.22Å; V414-V416 HydrophobicContact CG1-CG2 4.35Å
415Y93.8Very high81.5Confident42 Ų4256.5 Ų56.517%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-101.6117.5-177.9-57.1-87000109T313 Y315 N340 L364 N365 T367 E381T313-Y415 HydrophobicContact CG2-CE1 4.36Å; Y315-Y415 HydrophobicContact CE1-CD1 4.46Å; Y315-Y415 AromaticContact CE1-CE1 3.58Å; Y315-Y415 HydrophobicContact CE1-CE1 3.58Å; Y315-Y415 AromaticContact CE1-CZ 3.82Å; Y315-Y415 PolarHBondContact OH-OH 3.49Å; N340-Y415 HydrophobicContact CB-CD1 4.27Å; N340-Y415 WeakPolarHBondContact OD1-CD1 3.26Å; L364-Y415 WeakPolarHBondContact CA-O 3.15Å; N365-Y415 HydrophobicContact CB-CD2 4.47Å; N365-Y415 PolarHBondContact N-O 2.94Å; N365-Y415 PolarHBondContact O-N 3.16Å; T367-Y415 HydrophobicContact CG2-CD2 4.47Å; T367-Y415 HydrophobicContact CG2-CE2 4.1Å; E381-Y415 PolarHBondContact OE1-OH 3.02Å; E381-Y415 VanDerWaalsContact OE1-OH 3.08Å; E381-Y415 PolarHBondContact OE2-OH 2.75Å
416V95.5Very high83.8Confident0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-111.8118175-178.10000107.5A338 I339 F341 I356 F362 N363 L364 V414 F419 I425A338-V416 CarbonylContact C-O 3.42Å; A338-V416 WeakPolarHBondContact CA-O 3.41Å; I339-V416 HydrophobicContact CG2-CB 3.85Å; I339-V416 HydrophobicContact CG2-CG1 4.23Å; I339-V416 PolarHBondContact N-O 2.97Å; I339-V416 WeakPolarHBondContact O-CB 3.39Å; I339-V416 PolarHBondContact O-N 2.84Å; I339-V416 VanDerWaalsContact O-O 3.1Å; F341-V416 HydrophobicContact CD2-CG2 4.2Å; F341-V416 HydrophobicContact CE2-CB 4.45Å; F341-V416 HydrophobicContact CE2-CG2 3.76Å; I356-V416 HydrophobicContact CD1-CG2 3.35Å; F362-V416 HydrophobicContact CB-CG1 3.89Å; F362-V416 HydrophobicContact CD2-CG1 3.67Å; F362-V416 HydrophobicContact CE2-CG1 4.38Å; F362-V416 HydrophobicContact CG-CG1 3.88Å; N363-V416 WeakPolarHBondContact O-CA 3.26Å; L364-V416 HydrophobicContact CD1-CG2 4.08Å; V414-V416 HydrophobicContact CG1-CG2 4.35Å; V416-F419 HydrophobicContact CG1-CD1 4.05Å; V416-F419 HydrophobicContact CG1-CE1 4.29Å; V416-I425 HydrophobicContact CG1-CD1 4.27Å
417S95.1Very high86Confident45 Ų4545.1 Ų45.132%0.31523%0.229SC..EExtended strand (participates in β ladder)trans-139.5167.1-170.260.50000112.2T337 N363 F419T337-S417 CarbonylContact O-C 3.58Å; N363-S417 WeakPolarHBondContact CB-O 3.32Å; N363-S417 PolarHBondContact N-O 3.47Å; N363-S417 PolarHBondContact O-N 3.05Å; S417-F419 VanDerWaalsContact C-N 3.27Å; S417-F419 PolarHBondContact O-N 2.85Å
418N93.6Very high87.7Confident115 Ų11546.3 Ų46.362%0.61523%0.231SC*.SBendtrans57.536.6175.4-165.540.6000113.8T337 N363T337-N418 PolarHBondContact O-N 2.89Å; N363-N418 HydrophobicContact CB-CB 4.42Å
419F94Very high89Confident7 Ų739.7 Ų39.73%0.03120%0.202CC..  trans-95.4157167.660.2-101.6000110.9Y336 T337 A338 I339 F362 V416 S417 I423 I425Y336-F419 VanDerWaalsContact O-CE2 3.31Å; Y336-F419 WeakPolarHBondContact O-CE2 3.15Å; T337-F419 VanDerWaalsContact C-CE1 3.47Å; T337-F419 VanDerWaalsContact C-CZ 3.49Å; T337-F419 WeakPolarHBondContact O-CD1 3.04Å; T337-F419 WeakPolarHBondContact O-CE1 3.47Å; T337-F419 PolarHBondContact O-N 2.73Å; A338-F419 VanDerWaalsContact CA-CE1 3.41Å; I339-F419 HydrophobicContact CB-CE1 4.44Å; I339-F419 HydrophobicContact CG2-CE1 3.94Å; I339-F419 HydrophobicContact CG2-CZ 4.36Å; F362-F419 HydrophobicContact CB-CB 4.21Å; V416-F419 HydrophobicContact CG1-CD1 4.05Å; V416-F419 HydrophobicContact CG1-CE1 4.29Å; S417-F419 VanDerWaalsContact C-N 3.27Å; S417-F419 PolarHBondContact O-N 2.85Å; F419-I423 HydrophobicContact CB-CD1 3.55Å; F419-I423 HydrophobicContact CD2-CB 4.47Å; F419-I423 HydrophobicContact CD2-CD1 4.2Å; F419-I423 HydrophobicContact CD2-CG2 3.6Å; F419-I423 HydrophobicContact CE2-CG2 3.81Å; F419-I423 HydrophobicContact CG-CD1 3.92Å; F419-I423 HydrophobicContact CG-CG2 4.34Å; F419-I425 HydrophobicContact CD1-CD1 4.3Å; F419-I425 HydrophobicContact CE1-CD1 4.09Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å
420S91.5Very high89.9Confident73 Ų7336.3 Ų36.351%0.5118%0.184SC..  trans-104.8138.8173.353.40000111.4N360N360-S420 PolarHBondContact ND2-O 2.85Å; N360-S420 VanDerWaalsContact ND2-O 3.16Å
421W90.9Very high89.9Confident90 Ų9037.2 Ų37.234%0.34119%0.188SC..SBendtrans-68.7144.3166.6176.397.2000110.4L328 L329 Q330 R334L328-W421 VanDerWaalsContact O-CD1 3.25Å; L328-W421 PolarHBondContact O-NE1 2.92Å; L329-W421 WeakPolarHBondContact O-CZ2 3.36Å; Q330-W421 PolarHBondContact O-NE1 3.27Å; R334-W421 HydrophobicContact CB-CD2 4.22Å; R334-W421 HydrophobicContact CB-CE3 4.35Å; R334-W421 HydrophobicContact CB-CG 4.43Å
422P93.7Very high89.4Confident63 Ų6340.8 Ų40.841%0.40920%0.204SC..SBendcis-81.4143.9-3.831.5-33.6000112.6L328 L329 N360L328-P422 WeakPolarHBondContact O-CA 3.07Å; L329-P422 HydrophobicContact CD2-CB 3.89Å; N360-P422 PolarHBondContact ND2-O 3.26Å
423I93.4Very high88.1Confident1 Ų143.9 Ų43.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-142.1146.5-179.8-167.3168.5000112.5L328 A358 N360 F419 I425L328-I423 HydrophobicContact CB-CG2 4.07Å; L328-I423 HydrophobicContact CD1-CG2 3.76Å; L328-I423 PolarHBondContact N-O 3.05Å; L328-I423 PolarHBondContact O-N 2.83Å; A358-I423 HydrophobicContact CB-CD1 3.9Å; A358-I423 HydrophobicContact CB-CG1 4.21Å; N360-I423 HydrophobicContact CB-CD1 3.95Å; N360-I423 HydrophobicContact CB-CG1 4.23Å; F419-I423 HydrophobicContact CB-CD1 3.55Å; F419-I423 HydrophobicContact CD2-CB 4.47Å; F419-I423 HydrophobicContact CD2-CD1 4.2Å; F419-I423 HydrophobicContact CD2-CG2 3.6Å; F419-I423 HydrophobicContact CE2-CG2 3.81Å; F419-I423 HydrophobicContact CG-CD1 3.92Å; F419-I423 HydrophobicContact CG-CG2 4.34Å; I423-I425 HydrophobicContact CD1-CD1 4.26Å; I423-I425 HydrophobicContact CD1-CG1 3.96Å; I423-I425 HydrophobicContact CG1-CG1 3.97Å; I423-I425 HydrophobicContact CG2-CD1 4.33Å; I423-I425 HydrophobicContact CG2-CG1 4.38Å
424K93.8Very high86.3Confident104 Ų10446.2 Ų46.245%0.45224%0.244SC..EExtended strand (participates in β ladder)trans-113.6129.6164.3-66.3-177.8178.4178.60109.3F326 L329 A358 S359F326-K424 CarbonylContact O-C 3.52Å; F326-K424 VanDerWaalsContact O-CA 3.32Å; F326-K424 WeakPolarHBondContact O-CA 3.3Å; L329-K424 HydrophobicContact CD2-CG 4.32Å; A358-K424 CarbonylContact C-O 3.54Å; A358-K424 WeakPolarHBondContact CA-O 3.46Å; A358-K424 WeakPolarHBondContact CB-O 3.36Å; S359-K424 PolarHBondContact N-O 2.85Å; S359-K424 PolarHBondContact OG-N 3Å
425I94.8Very high84.1Confident0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-121.5123.4-180-56.3169.9000108.1T325 F326 L328 I339 I356 N357 A358 V416 F419 I423T325-I425 CarbonylContact C-O 3.52Å; T325-I425 WeakPolarHBondContact CA-O 3.06Å; F326-I425 HydrophobicContact CB-CB 4.47Å; F326-I425 PolarHBondContact N-O 3.42Å; F326-I425 PolarHBondContact O-N 3.11Å; L328-I425 HydrophobicContact CD1-CD1 4.32Å; I339-I425 HydrophobicContact CG2-CD1 3.74Å; I356-I425 HydrophobicContact CD1-CG2 4.02Å; I356-I425 HydrophobicContact CG1-CG2 4.13Å; N357-I425 CarbonylContact O-C 3.49Å; N357-I425 WeakPolarHBondContact O-CA 3.49Å; A358-I425 HydrophobicContact CB-CB 4.46Å; A358-I425 HydrophobicContact CB-CG1 3.95Å; V416-I425 HydrophobicContact CG1-CD1 4.27Å; F419-I425 HydrophobicContact CD1-CD1 4.3Å; F419-I425 HydrophobicContact CE1-CD1 4.09Å; F419-I425 HydrophobicContact CZ-CD1 4.38Å; I423-I425 HydrophobicContact CD1-CD1 4.26Å; I423-I425 HydrophobicContact CD1-CG1 3.96Å; I423-I425 HydrophobicContact CG1-CG1 3.97Å; I423-I425 HydrophobicContact CG2-CD1 4.33Å; I423-I425 HydrophobicContact CG2-CG1 4.38Å
426Q93.6Very high83.6Confident77 Ų7759.7 Ų59.736%0.3631%0.306SS..EExtended strand (participates in β ladder)trans-107.9129.4173.2-62.2-170.4-43.300108.8F324 T325 I356 N357F324-Q426 VanDerWaalsContact O-CA 3.32Å; F324-Q426 WeakPolarHBondContact O-CA 3.28Å; T325-Q426 HydrophobicContact CG2-CG 3.98Å; T325-Q426 PolarHBondContact OG1-NE2 2.96Å; I356-Q426 CarbonylContact C-O 3.55Å; I356-Q426 VanDerWaalsContact CA-O 3.31Å; I356-Q426 WeakPolarHBondContact CA-O 3.1Å; N357-Q426 PolarHBondContact N-O 2.86Å; N357-Q426 PolarHBondContact O-N 2.03Å
427V92.7Very high83Confident1 Ų162.8 Ų62.81%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-135.3137.1179.261.80000109.5L318 F324 F326 F341 M354 S355 I356L318-V427 HydrophobicContact CD1-CG1 4.27Å; L318-V427 HydrophobicContact CD1-CG2 3.75Å; L318-V427 HydrophobicContact CD2-CG1 3.63Å; F324-V427 HydrophobicContact CB-CG1 4.05Å; F324-V427 PolarHBondContact N-O 2.97Å; F324-V427 PolarHBondContact O-N 2.83Å; F326-V427 HydrophobicContact CD2-CG1 4.38Å; F326-V427 HydrophobicContact CE2-CG1 3.89Å; F341-V427 HydrophobicContact CD1-CG1 4.46Å; F341-V427 HydrophobicContact CE1-CG1 4.21Å; F341-V427 HydrophobicContact CZ-CG1 4.28Å; M354-V427 HydrophobicContact CE-CG2 3.35Å; S355-V427 WeakPolarHBondContact O-CA 3.33Å; I356-V427 HydrophobicContact CG1-CB 4.47Å
428R88Confident82.3Confident86 Ų8663.8 Ų63.833%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-143.3126.3-179.4-169.1-178.4-178-153.5-5.5108.9Q323 S355 E430Q323-R428 HydrophobicContact CB-CB 4.23Å; Q323-R428 HydrophobicContact CB-CG 4.03Å; Q323-R428 HydrophobicContact CG-CB 4.28Å; S355-R428 PolarHBondContact N-O 3.15Å; S355-R428 PolarHBondContact O-N 3.47Å; S355-R428 PolarHBondContact OG-O 3.27Å; R428-E430 WeakPolarHBondContact CD-OE1 3.02Å; R428-E430 HydrophobicContact CG-CG 3.95Å; R428-E430 IonicContact CZ-OE1 3.93Å; R428-E430 IonicContact CZ-OE2 3.61Å; R428-E430 VanDerWaalsContact NE-CD 3.34Å; R428-E430 IonicContact NE-OE1 2.65Å; R428-E430 PolarHBondContact NE-OE1 3.15Å; R428-E430 IonicContact NE-OE2 3.28Å; R428-E430 IonicContact NH1-OE1 2.83Å; R428-E430 PolarHBondContact NH1-OE1 3.37Å; R428-E430 IonicContact NH1-OE2 3.2Å; R428-E430 PolarHBondContact NH1-OE2 3.08Å; R428-E430 IonicContact NH2-OE1 3.78Å; R428-E430 PolarHBondContact NH2-OE1 3.32Å; R428-E430 IonicContact NH2-OE2 2.68Å; R428-E430 PolarHBondContact NH2-OE2 2.96Å
429G83.5Confident81.6Confident8 Ų860.8 Ų60.88%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-104.4127165.200000108D321 E353D321-G429 WeakPolarHBondContact CA-O 3.1Å; D321-G429 PolarHBondContact N-O 3.46Å; E353-G429 CarbonylContact O-C 3.56Å; E353-G429 WeakPolarHBondContact O-CA 3.31Å
430E80.1Confident80.8Confident28 Ų2864.1 Ų64.113%0.13132%0.323CS..EExtended strand (participates in β ladder)trans-120.5141177.6-69.1175.3-122.300109.5D321 E353 R428D321-E430 WeakPolarHBondContact OD1-CA 2.82Å; E353-E430 HydrophobicContact CB-CB 4.43Å; E353-E430 PolarHBondContact N-O 3.43Å; E353-E430 PolarHBondContact O-N 2.76Å; R428-E430 WeakPolarHBondContact CD-OE1 3.02Å; R428-E430 HydrophobicContact CG-CG 3.95Å; R428-E430 IonicContact CZ-OE1 3.93Å; R428-E430 IonicContact CZ-OE2 3.61Å; R428-E430 VanDerWaalsContact NE-CD 3.34Å; R428-E430 IonicContact NE-OE1 2.65Å; R428-E430 PolarHBondContact NE-OE1 3.15Å; R428-E430 IonicContact NE-OE2 3.28Å; R428-E430 IonicContact NH1-OE1 2.83Å; R428-E430 PolarHBondContact NH1-OE1 3.37Å; R428-E430 IonicContact NH1-OE2 3.2Å; R428-E430 PolarHBondContact NH1-OE2 3.08Å; R428-E430 IonicContact NH2-OE1 3.78Å; R428-E430 PolarHBondContact NH2-OE1 3.32Å; R428-E430 IonicContact NH2-OE2 2.68Å; R428-E430 PolarHBondContact NH2-OE2 2.96Å
431I74Confident80.1Confident23 Ų2363.5 Ų63.512%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-105.9119.8174.8-82.5168.7000109.6I320 D321 P345 K350 N351 L352I320-I431 HydrophobicContact CB-CD1 4Å; I320-I431 HydrophobicContact CG1-CD1 4.23Å; I320-I431 HydrophobicContact CG2-CB 4.09Å; I320-I431 HydrophobicContact CG2-CD1 3.31Å; I320-I431 HydrophobicContact CG2-CG1 3.41Å; I320-I431 VanDerWaalsContact CG2-CG1 3.41Å; D321-I431 PolarHBondContact OD1-N 3.36Å; P345-I431 HydrophobicContact CB-CD1 4.15Å; K350-I431 HydrophobicContact CB-CG2 3.27Å; K350-I431 HydrophobicContact CD-CG2 3.14Å; K350-I431 HydrophobicContact CG-CG2 3.85Å; N351-I431 WeakPolarHBondContact O-CA 3.43Å; L352-I431 HydrophobicContact CD1-CG1 4.17Å
432H69.6Low79.4Confident81 Ų8161.6 Ų61.638%0.37531%0.308SS..EExtended strand (participates in β ladder)trans-108.2136.8175.9-63.9-82.9000111.1K350 N351 E353 S434K350-H432 WeakPolarHBondContact CB-O 3.24Å; N351-H432 PolarHBondContact N-O 3.42Å; N351-H432 PolarHBondContact O-N 2.98Å; E353-H432 IonicContact OE2-CD2 2.89Å; E353-H432 IonicContact OE2-CE1 2.93Å; E353-H432 IonicContact OE2-NE2 3.45Å; E353-H432 PolarHBondContact OE2-NE2 3.15Å; H432-S434 PolarHBondContact O-N 3.17Å
433S56.9Low78.3Confident68 Ų6861.5 Ų61.548%0.47630%0.3SS..EExtended strand (participates in β ladder)trans-66124.8169.949.70000110.1F435S433-F435 PolarHBondContact O-N 3.4Å; S433-F435 VanDerWaalsContact O-N 3.17Å
434S53Low77Confident59 Ų5966.6 Ų66.641%0.41333%0.325SS..  trans-64.9110.3166.6-40.60000107.7N351 H432N351-S434 PolarHBondContact ND2-OG 3.19Å; N351-S434 PolarHBondContact OD1-OG 3.25Å; H432-S434 PolarHBondContact O-N 3.17Å
435F44.2Very low75.5Confident264 Ų26463.2 Ų63.2100%1.15831%0.313SS*.  trans-83.70171.1-99.7-81.5000110.8S433S433-F435 PolarHBondContact O-N 3.4Å; S433-F435 VanDerWaalsContact O-N 3.17Å

Retrieved 435 of 435 residues in 63.5 ms (Link to these results)