G4LUP9_SCHMA Loading...

Guanine nucleotide exchange factor mss4,putative

AlphaFold DB , UniProt , Accession G4LUP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 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
1M55Low47.8Very low241 Ų241137.1 Ų137.1100%1.18777%0.773SS**  095.30-74.5171167.300106.1S3M1-S3 PolarHBondContact O-N 2.96Å
2S49.5Very low49.1Very low124 Ų124127.6 Ų127.687%0.86772%0.724SS**  trans-85.1112.9-170.5-47.70000108.7V4S2-V4 PolarHBondContact O-N 3.42Å
3S52.1Low51Low114 Ų114119.6 Ų119.680%0.79768%0.679SS**  trans-62.3124.1175.3-59.40000109.5M1 E5M1-S3 PolarHBondContact O-N 2.96Å; S3-E5 PolarHBondContact O-N 3.49Å
4V54.8Low53.2Low128 Ų128113.3 Ų113.378%0.77664%0.644SS**  trans-59.3118.4170.6-85.70000109.6S2 F6S2-V4 PolarHBondContact O-N 3.42Å; V4-F6 PolarHBondContact O-N 3.25Å
5E41.3Very low55.3Low195 Ų195110.3 Ų110.391%0.91162%0.622SS**  trans-71.8111167.9-67.2-166124.800108.4S3 C7S3-E5 PolarHBondContact O-N 3.49Å; E5-C7 PolarHBondContact O-N 3.4Å
6F40.3Very low57.5Low195 Ų195110.7 Ų110.786%0.85561%0.611SS**  trans-69.2107.1165.6-106-99.5000107.5V4 D8V4-F6 PolarHBondContact O-N 3.25Å; F6-D8 PolarHBondContact O-N 3.28Å
7C40.9Very low59.4Low101 Ų101106.5 Ų106.568%0.68259%0.589SS**  trans-61.9103.2164.3178.20000107.6E5 S9E5-C7 PolarHBondContact O-N 3.4Å; C7-S9 PolarHBondContact O-N 3.28Å; C7-S9 PolarHBondContact O-OG 2.82Å
8D37.1Very low61.1Low127 Ų127111.9 Ų111.968%0.67961%0.609SS**  trans-59.791.5163.4-174.461.5000107.1F6 T10F6-D8 PolarHBondContact O-N 3.28Å; D8-T10 PolarHBondContact O-N 2.88Å; D8-T10 PolarHBondContact O-OG1 2.99Å; D8-T10 WeakPolarHBondContact OD2-CG2 3.15Å; D8-T10 PolarHBondContact OD2-OG1 2.95Å
9S42.3Very low62.8Low97 Ų97112.5 Ų112.568%0.67861%0.612SS**  trans-77.672.1176.4-54.50000106.3C7 D11C7-S9 PolarHBondContact O-N 3.28Å; C7-S9 PolarHBondContact O-OG 2.82Å; S9-D11 PolarHBondContact O-N 2.76Å
10T49.4Very low64.3Low95 Ų95108.1 Ų108.158%0.58359%0.594SS**  trans-64.199.2178.5-3.80000107.4D8 A12D8-T10 PolarHBondContact O-N 2.88Å; D8-T10 PolarHBondContact O-OG1 2.99Å; D8-T10 WeakPolarHBondContact OD2-CG2 3.15Å; D8-T10 PolarHBondContact OD2-OG1 2.95Å; T10-A12 PolarHBondContact O-N 2.95Å
11D62.6Low65.8Low91 Ų91106.5 Ų106.549%0.48758%0.579SS.*  trans-51.3116.2180-171.2-26.6000108.4S9 N13 V14S9-D11 PolarHBondContact O-N 2.76Å; D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 2.77Å; D11-N13 VanDerWaalsContact OD1-N 3.08Å; D11-N13 PolarHBondContact OD1-ND2 3.41Å; D11-V14 HydrophobicContact CB-CG2 4.05Å; D11-V14 PolarHBondContact O-N 2.94Å
12A64.4Low67.7Low23 Ų2395 Ų9519%0.1952%0.523CS..G310 helixtrans-55.4-24.2-175.200000111.9T10 V14 Q15 T130 V132T10-A12 PolarHBondContact O-N 2.95Å; A12-V14 PolarHBondContact O-N 3.11Å; A12-Q15 PolarHBondContact O-N 3.21Å; A12-T130 PolarHBondContact O-OG1 2.87Å; A12-V132 HydrophobicContact CB-CG2 4.14Å
13N72.9Confident69.8Low24 Ų2493.2 Ų93.213%0.12850%0.501CS..G310 helixtrans-67.3-18.2176.3-62.3-46.1000114.3D11 W75 L125 T129 T130D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 2.77Å; D11-N13 VanDerWaalsContact OD1-N 3.08Å; D11-N13 PolarHBondContact OD1-ND2 3.41Å; N13-W75 WeakPolarHBondContact O-CZ2 3.42Å; N13-W75 PolarHBondContact O-NE1 3.45Å; N13-L125 WeakPolarHBondContact O-CD2 3.46Å; N13-T129 VanDerWaalsContact OD1-C 3.27Å; N13-T129 VanDerWaalsContact OD1-CA 3.27Å; N13-T129 WeakPolarHBondContact OD1-CA 3.48Å; N13-T130 WeakPolarHBondContact OD1-CG2 3.17Å; N13-T130 PolarHBondContact OD1-N 3.26Å; N13-T130 PolarHBondContact OD1-OG1 3.49Å
14V81.6Confident71.8Confident31 Ų3189.1 Ų89.119%0.18847%0.469CS..G310 helixtrans-100.1-0.4-178-170.60000111.9D11 A12 R16 L125D11-V14 HydrophobicContact CB-CG2 4.05Å; D11-V14 PolarHBondContact O-N 2.94Å; A12-V14 PolarHBondContact O-N 3.11Å; V14-R16 WeakPolarHBondContact O-CG 3.48Å; V14-R16 PolarHBondContact O-N 3.2Å; V14-R16 PolarHBondContact O-NE 2.83Å; V14-L125 HydrophobicContact CB-CD2 4.23Å; V14-L125 HydrophobicContact CG1-CD2 4.5Å; V14-L125 HydrophobicContact CG2-CD2 3.67Å
15Q85.6Confident73.8Confident69 Ų6983.7 Ų83.732%0.32244%0.435SS..  trans-68129.7-178.6-70.4-162.6700112.4A12 Q23 F24A12-Q15 PolarHBondContact O-N 3.21Å; Q15-Q23 HydrophobicContact CB-CB 4.1Å; Q15-Q23 WeakPolarHBondContact O-CB 3.17Å; Q15-Q23 PolarHBondContact O-N 3.42Å; Q15-F24 HydrophobicContact CB-CD2 4.15Å; Q15-F24 HydrophobicContact CB-CE2 3.76Å; Q15-F24 HydrophobicContact CG-CE2 4.06Å
16R89.7Confident76.4Confident116 Ų11674.5 Ų74.544%0.43839%0.392SS..BIsolated β-bridgetrans-132.4150.2-170.1-22.9-179.9-161.11570111.9V14 Y21 L43 W75V14-R16 WeakPolarHBondContact O-CG 3.48Å; V14-R16 PolarHBondContact O-N 3.2Å; V14-R16 PolarHBondContact O-NE 2.83Å; R16-Y21 CarbonylContact C-O 3.44Å; R16-Y21 WeakPolarHBondContact CA-O 3.45Å; R16-Y21 WeakPolarHBondContact CB-O 3.4Å; R16-L43 VanDerWaalsContact NH2-CD2 3.32Å; R16-W75 HydrophobicContact CB-CH2 4.35Å; R16-W75 HydrophobicContact CG-CH2 3.95Å
17T91.1Very high79.1Confident39 Ų3965.9 Ų65.924%0.23936%0.355CS..  trans-68.7168.7166.569.40000111.1D19 G20 Y21 N39T17-D19 PolarHBondContact O-N 2.9Å; T17-D19 PolarHBondContact OG1-N 2.9Å; T17-G20 PolarHBondContact O-N 2.86Å; T17-Y21 PolarHBondContact N-O 3.29Å; T17-Y21 PolarHBondContact OG1-N 2.81Å; T17-Y21 VanDerWaalsContact OG1-N 3.11Å; T17-N39 WeakPolarHBondContact CG2-OD1 3.31Å
18Q89.8Confident81.7Confident204 Ų20461 Ų6195%0.95332%0.323SS*.THydrogen-bonded Turntrans-56.9-31.3173.9-67.9179.5-12.600112.4G20Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 3.22Å
19D92.2Very high84.4Confident123 Ų12357.8 Ų57.866%0.65831%0.309SS*.THydrogen-bonded Turntrans-844.1177.8-57.6-52.7000113.7T17 Y21T17-D19 PolarHBondContact O-N 2.9Å; T17-D19 PolarHBondContact OG1-N 2.9Å; D19-Y21 HydrophobicContact CB-CD2 3.76Å; D19-Y21 HydrophobicContact CB-CE2 3.97Å
20G93.2Very high86.9Confident25 Ų2561.7 Ų61.726%0.25831%0.308SS..SBendtrans82.314.4176.900000115.4T17 Q18 K42 L43T17-G20 PolarHBondContact O-N 2.86Å; Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 3.22Å; G20-K42 WeakPolarHBondContact O-CA 3.4Å; G20-L43 PolarHBondContact O-N 3.11Å; G20-L43 VanDerWaalsContact O-N 3.13Å
21Y95.2Very high89Confident74 Ų7459.7 Ų59.729%0.2930%0.298SS..BIsolated β-bridgetrans-86.9156.5177.7-70-97000112.9R16 T17 D19 Q23 A41 K42R16-Y21 CarbonylContact C-O 3.44Å; R16-Y21 WeakPolarHBondContact CA-O 3.45Å; R16-Y21 WeakPolarHBondContact CB-O 3.4Å; T17-Y21 PolarHBondContact N-O 3.29Å; T17-Y21 PolarHBondContact OG1-N 2.81Å; T17-Y21 VanDerWaalsContact OG1-N 3.11Å; D19-Y21 HydrophobicContact CB-CD2 3.76Å; D19-Y21 HydrophobicContact CB-CE2 3.97Å; Y21-Q23 PolarHBondContact O-N 2.62Å; Y21-A41 CarbonylContact C-O 3.43Å; Y21-A41 WeakPolarHBondContact CA-O 3.11Å; Y21-K42 HydrophobicContact CD1-CG 3.84Å; Y21-K42 HydrophobicContact CD2-CG 4.23Å; Y21-K42 HydrophobicContact CE1-CD 4.45Å; Y21-K42 HydrophobicContact CE1-CG 3.75Å; Y21-K42 HydrophobicContact CE2-CD 4.34Å; Y21-K42 HydrophobicContact CE2-CG 4.15Å; Y21-K42 HydrophobicContact CG-CG 4.1Å; Y21-K42 WeakPolarHBondContact OH-CE 3.48Å
22N95Very high90.6Very high1 Ų159.1 Ų59.11%0.00530%0.301CS..BIsolated β-bridgetrans-58.4122.9173.865.5-53.4000112.2F24 I26 R37 K38 N39 T40 A41 W75N22-F24 PolarHBondContact ND2-O 2.84Å; N22-I26 HydrophobicContact CB-CD1 4.13Å; N22-I26 HydrophobicContact CB-CG1 4.44Å; N22-R37 PolarHBondContact ND2-O 2.56Å; N22-K38 WeakPolarHBondContact ND2-CA 3.41Å; N22-N39 PolarHBondContact O-N 2.97Å; N22-N39 PolarHBondContact OD1-N 3.41Å; N22-T40 PolarHBondContact OD1-N 2.95Å; N22-A41 PolarHBondContact N-O 2.88Å; N22-A41 PolarHBondContact OD1-N 2.88Å; N22-A41 PolarHBondContact OD1-O 2.76Å; N22-W75 HydrophobicContact CB-CD2 3.85Å; N22-W75 HydrophobicContact CB-CE3 3.83Å; N22-W75 HydrophobicContact CB-CH2 3.71Å; N22-W75 HydrophobicContact CB-CZ2 3.71Å; N22-W75 HydrophobicContact CB-CZ3 3.76Å; N22-W75 VanDerWaalsContact N-CZ3 3.28Å
23Q94.5Very high92.1Very high86 Ų8658.5 Ų58.540%0.40230%0.295SS..SBendtrans-74.5-27.7-177.5-174.6169.8-2.800113Q15 Y21 K38Q15-Q23 HydrophobicContact CB-CB 4.1Å; Q15-Q23 WeakPolarHBondContact O-CB 3.17Å; Q15-Q23 PolarHBondContact O-N 3.42Å; Y21-Q23 PolarHBondContact O-N 2.62Å; Q23-K38 WeakPolarHBondContact O-CB 3.48Å
24F94.5Very high93.2Very high28 Ų2859.1 Ų59.112%0.12330%0.298CS..SBendtrans-118.2163.6-178.4-56.8-64.8000112Q15 N22 T130 E131 K133Q15-F24 HydrophobicContact CB-CD2 4.15Å; Q15-F24 HydrophobicContact CB-CE2 3.76Å; Q15-F24 HydrophobicContact CG-CE2 4.06Å; N22-F24 PolarHBondContact ND2-O 2.84Å; F24-T130 HydrophobicContact CB-CG2 3.95Å; F24-T130 HydrophobicContact CD2-CG2 4.39Å; F24-E131 WeakPolarHBondContact CD1-O 3.48Å; F24-K133 HydrophobicContact CE1-CB 4.48Å; F24-K133 HydrophobicContact CE1-CG 4.39Å
25N95.9Very high94Very high14 Ų1457.6 Ų57.68%0.07529%0.289CS..  trans-61.5137.7167.4-62.2-19.3000109.1L27 L36 R37 K38 T130 E131N25-L27 HydrophobicContact CB-CD2 4.03Å; N25-L36 CarbonylContact C-O 3.53Å; N25-L36 VanDerWaalsContact CA-O 3.31Å; N25-L36 WeakPolarHBondContact CA-O 3.12Å; N25-R37 WeakPolarHBondContact OD1-CA 3.1Å; N25-K38 PolarHBondContact OD1-N 2.84Å; N25-T130 WeakPolarHBondContact O-CA 3.37Å; N25-E131 HydrophobicContact CB-CG 4.19Å; N25-E131 PolarHBondContact ND2-OE1 3.14Å; N25-E131 PolarHBondContact ND2-OE2 3.3Å; N25-E131 VanDerWaalsContact ND2-OE2 3.11Å; N25-E131 PolarHBondContact O-N 2.8Å
26I95.7Very high94.5Very high1 Ų154.3 Ų54.31%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-94.7126.3174-51.1-53.7000107.6N22 V35 L36 W75 V123 T128 T130N22-I26 HydrophobicContact CB-CD1 4.13Å; N22-I26 HydrophobicContact CB-CG1 4.44Å; I26-V35 WeakPolarHBondContact O-CB 3.36Å; I26-V35 PolarHBondContact O-N 3.39Å; I26-L36 HydrophobicContact CB-CB 4.07Å; I26-L36 HydrophobicContact CG1-CB 4.16Å; I26-L36 PolarHBondContact N-O 3.1Å; I26-L36 PolarHBondContact O-N 3.32Å; I26-L36 VanDerWaalsContact O-N 3.14Å; I26-W75 HydrophobicContact CD1-CG 4.43Å; I26-W75 HydrophobicContact CG1-CG 4.46Å; I26-V123 HydrophobicContact CG2-CG1 4.31Å; I26-T128 VanDerWaalsContact CG2-CB 3.42Å; I26-T128 HydrophobicContact CG2-CG2 3.66Å; I26-T128 WeakPolarHBondContact CG2-OG1 3.4Å; I26-T130 HydrophobicContact CD1-CG2 3.81Å
27L97Very high94.8Very high14 Ų1453.9 Ų53.97%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-119.9154.5-171.2-48.2-179.1000111.4N25 S33 I34 T128 T129 E131N25-L27 HydrophobicContact CB-CD2 4.03Å; L27-S33 CarbonylContact C-O 3.53Å; L27-S33 VanDerWaalsContact CA-O 3.28Å; L27-S33 WeakPolarHBondContact CA-O 3.09Å; L27-I34 HydrophobicContact CD2-CB 4.21Å; L27-I34 HydrophobicContact CD2-CG1 3.74Å; L27-I34 HydrophobicContact CD2-CG2 4.48Å; L27-T128 WeakPolarHBondContact O-CA 3.18Å; L27-T128 WeakPolarHBondContact O-CB 3.49Å; L27-T129 HydrophobicContact CB-CG2 3.82Å; L27-T129 HydrophobicContact CD1-CG2 4.43Å; L27-T129 PolarHBondContact N-O 3.09Å; L27-T129 PolarHBondContact O-N 3.18Å; L27-E131 HydrophobicContact CD1-CG 3.8Å; L27-E131 HydrophobicContact CD2-CG 4.32Å; L27-E131 HydrophobicContact CG-CG 4.35Å
28C96.3Very high95Very high0 Ų057.3 Ų57.30%028%0.283CS..  trans-62.3131.4165.3177.10000109.9R30 S32 S33 C100C28-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact SG-N 3.46Å; C28-S32 VanDerWaalsContact O-CA 3.29Å; C28-S32 WeakPolarHBondContact O-CA 3.48Å; C28-S32 PolarHBondContact O-N 2.83Å; C28-S33 PolarHBondContact N-O 3.24Å; C28-C100 HydrophobicContact CB-CB 4.14Å
29P94Very high95.3Very high59 Ų5951.9 Ų51.938%0.38326%0.261SS..THydrogen-bonded Turntrans-71.2-14-177.330.6-36.8000113.4F53 L105 R127P29-F53 HydrophobicContact CG-CZ 4.06Å; P29-L105 HydrophobicContact CG-CD2 4.02Å; P29-R127 VanDerWaalsContact CD-O 3.32Å; P29-R127 WeakPolarHBondContact CD-O 3.48Å; P29-R127 WeakPolarHBondContact CG-O 3.41Å
30R93.7Very high95.4Very high179 Ų17948.1 Ų48.168%0.67524%0.242SC*.THydrogen-bonded Turntrans-98.6-49.3-176.5176.3-178.4-70.4-1250.5113.5C28 L105C28-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact SG-N 3.46Å; R30-L105 HydrophobicContact CB-CD2 3.71Å
31C95Very high95.6Very high53 Ų5346.9 Ų46.936%0.35823%0.23SC..THydrogen-bonded Turntrans-113.31.2-175.267.50000114S33 C100 C103C31-S33 PolarHBondContact O-N 2.93Å; C31-S33 VanDerWaalsContact O-N 3.1Å; C31-S33 VanDerWaalsContact SG-CB 3.53Å; C31-C100 PolarHBondContact SG-SG 3.35Å; C31-C103 HydrophobicContact CB-CB 4.18Å; C31-C103 VanDerWaalsContact SG-SG 3.63Å
32S95.1Very high95.6Very high79 Ų7948.1 Ų48.155%0.55224%0.237SC*.  trans60.216-178.1-52.10000115.2C28C28-S32 VanDerWaalsContact O-CA 3.29Å; C28-S32 WeakPolarHBondContact O-CA 3.48Å; C28-S32 PolarHBondContact O-N 2.83Å
33S96.2Very high95.6Very high10 Ų1049.6 Ų49.67%0.0724%0.244CC..  trans-59.1136.8171.5-174.80000110.8L27 C28 C31 V35 N85 D102L27-S33 CarbonylContact C-O 3.53Å; L27-S33 VanDerWaalsContact CA-O 3.28Å; L27-S33 WeakPolarHBondContact CA-O 3.09Å; C28-S33 PolarHBondContact N-O 3.24Å; C31-S33 PolarHBondContact O-N 2.93Å; C31-S33 VanDerWaalsContact O-N 3.1Å; C31-S33 VanDerWaalsContact SG-CB 3.53Å; S33-V35 PolarHBondContact O-N 3Å; S33-N85 WeakPolarHBondContact OG-CB 3.48Å; S33-D102 WeakPolarHBondContact CB-OD2 3.43Å; S33-D102 PolarHBondContact OG-OD2 2.67Å
34I96.9Very high95.6Very high36 Ų3646.6 Ų46.619%0.18523%0.234CC..EExtended strand (participates in β ladder)trans-72.5118.7179.4-56176.9000108.6L27 E84 N85L27-I34 HydrophobicContact CD2-CB 4.21Å; L27-I34 HydrophobicContact CD2-CG1 3.74Å; L27-I34 HydrophobicContact CD2-CG2 4.48Å; I34-E84 HydrophobicContact CB-CB 4.36Å; I34-E84 HydrophobicContact CG2-CB 4.1Å; I34-E84 HydrophobicContact CG2-CG 3.89Å; I34-E84 WeakPolarHBondContact O-CB 3.29Å; I34-N85 WeakPolarHBondContact O-CB 3.14Å; I34-N85 PolarHBondContact O-N 3.17Å; I34-N85 VanDerWaalsContact O-N 3.1Å; I34-N85 PolarHBondContact O-ND2 3.06Å
35V97.2Very high95.6Very high0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-89-47.7174.1-179.40000109.5I26 S33 F83 E84 L108I26-V35 WeakPolarHBondContact O-CB 3.36Å; I26-V35 PolarHBondContact O-N 3.39Å; S33-V35 PolarHBondContact O-N 3Å; V35-F83 HydrophobicContact CG1-CD1 3.99Å; V35-F83 HydrophobicContact CG1-CE1 4.21Å; V35-F83 WeakPolarHBondContact O-CA 3.38Å; V35-E84 PolarHBondContact O-N 2.87Å; V35-L108 HydrophobicContact CG2-CD1 3.82Å
36L96.8Very high95.4Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-139.2143.4178.5-71160.8000110.5N25 I26 A41 V77 A82 F83 V123N25-L36 CarbonylContact C-O 3.53Å; N25-L36 VanDerWaalsContact CA-O 3.31Å; N25-L36 WeakPolarHBondContact CA-O 3.12Å; I26-L36 HydrophobicContact CB-CB 4.07Å; I26-L36 HydrophobicContact CG1-CB 4.16Å; I26-L36 PolarHBondContact N-O 3.1Å; I26-L36 PolarHBondContact O-N 3.32Å; I26-L36 VanDerWaalsContact O-N 3.14Å; L36-A41 HydrophobicContact CD1-CB 4.02Å; L36-V77 HydrophobicContact CD1-CG2 3.63Å; L36-V77 HydrophobicContact CD2-CG1 4.44Å; L36-V77 HydrophobicContact CD2-CG2 3.69Å; L36-V77 HydrophobicContact CG-CG2 4.31Å; L36-A82 WeakPolarHBondContact CD2-O 3.21Å; L36-F83 HydrophobicContact CD1-CD1 4.4Å; L36-F83 HydrophobicContact CD1-CE1 3.93Å; L36-F83 HydrophobicContact CD2-CD1 3.57Å; L36-F83 HydrophobicContact CD2-CE1 3.77Å; L36-F83 HydrophobicContact CD2-CG 4.11Å; L36-F83 HydrophobicContact CD2-CZ 4.45Å; L36-F83 HydrophobicContact CG-CD1 3.8Å; L36-F83 HydrophobicContact CG-CE1 3.84Å; L36-V123 HydrophobicContact CD1-CB 4.48Å; L36-V123 HydrophobicContact CD1-CG2 3.89Å
37R96.3Very high95.3Very high107 Ų10758 Ų5840%0.40430%0.298SS..  trans-76.4158.1170.2-62.1-65.9-177136.23.9110.6N22 N25 T40 E84N22-R37 PolarHBondContact ND2-O 2.56Å; N25-R37 WeakPolarHBondContact OD1-CA 3.1Å; R37-T40 HydrophobicContact CB-CG2 3.93Å; R37-T40 WeakPolarHBondContact O-CB 3.13Å; R37-T40 WeakPolarHBondContact O-CG2 3.46Å; R37-T40 PolarHBondContact O-OG1 3.13Å; R37-E84 HydrophobicContact CG-CG 3.84Å; R37-E84 IonicContact CZ-OE2 3.64Å; R37-E84 VanDerWaalsContact CZ-OE2 3.3Å; R37-E84 IonicContact NE-OE1 2.69Å; R37-E84 IonicContact NE-OE2 2.69Å; R37-E84 PolarHBondContact NE-OE2 3.47Å; R37-E84 IonicContact NH2-OE2 3.09Å; R37-E84 PolarHBondContact NH2-OE2 3.12Å
38K94.7Very high95.1Very high111 Ų11158.6 Ų58.648%0.48330%0.3SS..THydrogen-bonded Turntrans-49.6149.8165.464-178.8-176.7176.20111.5N22 Q23 N25 T40N22-K38 WeakPolarHBondContact ND2-CA 3.41Å; Q23-K38 WeakPolarHBondContact O-CB 3.48Å; N25-K38 PolarHBondContact OD1-N 2.84Å; K38-T40 VanDerWaalsContact C-N 3.3Å; K38-T40 PolarHBondContact O-N 2.96Å
39N95.1Very high94.9Very high90 Ų9063 Ų6348%0.48132%0.324SS..THydrogen-bonded Turntrans61.828.3177.4-53-32.9000115.1T17 N22T17-N39 WeakPolarHBondContact CG2-OD1 3.31Å; N22-N39 PolarHBondContact O-N 2.97Å; N22-N39 PolarHBondContact OD1-N 3.41Å
40T95.6Very high94.8Very high43 Ų4360.2 Ų60.226%0.26431%0.305SS..SBendtrans-113.7-27.8-178.959.50000113.5N22 R37 K38N22-T40 PolarHBondContact OD1-N 2.95Å; R37-T40 HydrophobicContact CB-CG2 3.93Å; R37-T40 WeakPolarHBondContact O-CB 3.13Å; R37-T40 WeakPolarHBondContact O-CG2 3.46Å; R37-T40 PolarHBondContact O-OG1 3.13Å; K38-T40 VanDerWaalsContact C-N 3.3Å; K38-T40 PolarHBondContact O-N 2.96Å
41A96.6Very high94.7Very high0 Ų051.8 Ų51.80%027%0.274CS..  trans-121.9143.1-174.900000111.6Y21 N22 L36 W75 C76 V77Y21-A41 CarbonylContact C-O 3.43Å; Y21-A41 WeakPolarHBondContact CA-O 3.11Å; N22-A41 PolarHBondContact N-O 2.88Å; N22-A41 PolarHBondContact OD1-N 2.88Å; N22-A41 PolarHBondContact OD1-O 2.76Å; L36-A41 HydrophobicContact CD1-CB 4.02Å; A41-W75 HydrophobicContact CB-CB 3.72Å; A41-W75 HydrophobicContact CB-CD2 4.44Å; A41-W75 HydrophobicContact CB-CE3 4.14Å; A41-W75 HydrophobicContact CB-CG 4.3Å; A41-C76 CarbonylContact C-O 3.56Å; A41-C76 VanDerWaalsContact CA-O 3.31Å; A41-C76 WeakPolarHBondContact CA-O 3.4Å; A41-V77 HydrophobicContact CB-CG2 3.49Å; A41-V77 VanDerWaalsContact CB-CG2 3.49Å
42K96.1Very high94.5Very high99 Ų9951.6 Ų51.643%0.4327%0.271SS..EExtended strand (participates in β ladder)trans-101145.8175.1-71.8-170.4177.2-173.90111.2G20 Y21 A44 W75 C76G20-K42 WeakPolarHBondContact O-CA 3.4Å; Y21-K42 HydrophobicContact CD1-CG 3.84Å; Y21-K42 HydrophobicContact CD2-CG 4.23Å; Y21-K42 HydrophobicContact CE1-CD 4.45Å; Y21-K42 HydrophobicContact CE1-CG 3.75Å; Y21-K42 HydrophobicContact CE2-CD 4.34Å; Y21-K42 HydrophobicContact CE2-CG 4.15Å; Y21-K42 HydrophobicContact CG-CG 4.1Å; Y21-K42 WeakPolarHBondContact OH-CE 3.48Å; K42-A44 PolarHBondContact O-N 2.83Å; K42-W75 VanDerWaalsContact C-CE3 3.49Å; K42-C76 PolarHBondContact N-O 2.77Å; K42-C76 PolarHBondContact O-N 2.77Å
43L95.4Very high94Very high32 Ų3251.8 Ų51.817%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-67.8134.2175.7-17076.7000110.6R16 G20 F74 W75 L125R16-L43 VanDerWaalsContact NH2-CD2 3.32Å; G20-L43 PolarHBondContact O-N 3.11Å; G20-L43 VanDerWaalsContact O-N 3.13Å; L43-F74 CarbonylContact C-O 3.55Å; L43-F74 WeakPolarHBondContact CA-O 3.4Å; L43-W75 HydrophobicContact CB-CE3 4.29Å; L43-W75 HydrophobicContact CB-CH2 4.33Å; L43-W75 HydrophobicContact CB-CZ3 3.84Å; L43-W75 HydrophobicContact CD1-CE3 4.49Å; L43-W75 HydrophobicContact CD1-CZ3 4.46Å; L43-W75 VanDerWaalsContact N-CZ3 3.32Å; L43-L125 HydrophobicContact CD1-CD1 3.73Å; L43-L125 HydrophobicContact CD1-CD2 3.78Å; L43-L125 HydrophobicContact CD1-CG 4.44Å
44A94.5Very high93.1Very high23 Ų2352.2 Ų52.219%0.1927%0.266CS..EExtended strand (participates in β ladder)trans-128.8131171.700000109.9K42 F74 C76 Y122K42-A44 PolarHBondContact O-N 2.83Å; A44-F74 PolarHBondContact N-O 2.69Å; A44-F74 PolarHBondContact O-N 2.96Å; A44-C76 HydrophobicContact CB-CB 3.85Å; A44-Y122 HydrophobicContact CB-CD1 4.39Å; A44-Y122 HydrophobicContact CB-CE1 4.15Å
45N93.5Very high92.2Very high118 Ų11858.8 Ų58.863%0.63129%0.289SS*.EExtended strand (participates in β ladder)trans-94.6109.6169.2-64.2-63.1000108.2E72N45-E72 CarbonylContact C-O 3.57Å; N45-E72 VanDerWaalsContact CA-O 3.31Å; N45-E72 WeakPolarHBondContact CA-O 3.19Å
46K91.3Very high91.3Very high78 Ų7862 Ų6234%0.33930%0.303SS..EExtended strand (participates in β ladder)trans-147.495.5-177.4-176.9-177.7172.682.80109.1H48 E72 F74 F110 Y122K46-H48 PolarHBondContact O-N 3.43Å; K46-H48 VanDerWaalsContact O-N 3.15Å; K46-E72 PolarHBondContact N-O 3.43Å; K46-F74 WeakPolarHBondContact O-CE2 3.43Å; K46-F110 HydrophobicContact CD-CZ 4.12Å; K46-Y122 HydrophobicContact CD-CD1 4.49Å; K46-Y122 HydrophobicContact CD-CE1 4.04Å; K46-Y122 HydrophobicContact CD-CE2 4.22Å
47P93.5Very high90.5Very high88 Ų8866.1 Ų66.157%0.57133%0.332SS*.EExtended strand (participates in β ladder)trans-52.6120.7174.7-25.734.5000111.2L70 T71 E72P47-L70 HydrophobicContact CB-CD1 4.06Å; P47-T71 CarbonylContact C-O 3.55Å; P47-T71 WeakPolarHBondContact CA-O 3.45Å; P47-E72 HydrophobicContact CB-CG 4.25Å; P47-E72 HydrophobicContact CG-CG 4.18Å
48H93.1Very high89.6Confident26 Ų2664.8 Ų64.812%0.1233%0.33CS..EExtended strand (participates in β ladder)trans-148.5135.1-178.8-172.976.8000110.7K46 L50 T71 F74 F95 F110K46-H48 PolarHBondContact O-N 3.43Å; K46-H48 VanDerWaalsContact O-N 3.15Å; H48-L50 PolarHBondContact O-N 3.3Å; H48-T71 PolarHBondContact N-O 3.01Å; H48-T71 PolarHBondContact O-N 2.92Å; H48-F74 HydrophobicContact CB-CE2 4.29Å; H48-F74 HydrophobicContact CB-CZ 4.03Å; H48-F95 AromaticContact CE1-CE1 3.54Å; H48-F95 AromaticContact CE1-CZ 3.64Å; H48-F110 HydrophobicContact CB-CE1 3.82Å; H48-F110 HydrophobicContact CB-CZ 4.01Å; H48-F110 AromaticContact CD2-CD1 3.41Å; H48-F110 VanDerWaalsContact CD2-CD1 3.41Å; H48-F110 WeakPolarHBondContact CD2-CD1 3.41Å; H48-F110 AromaticContact CD2-CE1 3.4Å; H48-F110 VanDerWaalsContact CD2-CE1 3.4Å; H48-F110 WeakPolarHBondContact CD2-CE1 3.48Å; H48-F110 AromaticContact CD2-CG 3.84Å; H48-F110 AromaticContact CD2-CZ 3.83Å; H48-F110 AromaticContact CE1-CE2 3.93Å; H48-F110 AromaticContact CG-CE1 3.53Å; H48-F110 AromaticContact CG-CZ 3.61Å; H48-F110 AromaticContact ND1-CZ 3.82Å; H48-F110 AromaticContact NE2-CD1 3.77Å; H48-F110 AromaticContact NE2-CD2 3.83Å; H48-F110 AromaticContact NE2-CG 3.66Å
49N92.7Very high88.8Confident92 Ų9259.5 Ų59.549%0.49231%0.307SS..EExtended strand (participates in β ladder)trans-82.5102.9176.8-72.7-52.4000109.5T68 E69N49-T68 HydrophobicContact CB-CG2 4.45Å; N49-E69 WeakPolarHBondContact CA-O 3.49Å
50L92.4Very high88.1Confident0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-89.2138.8174.1-80.1-179.1000110.4H48 V52 T68 E69 F74 Y97 P107 F110 A124 R127H48-L50 PolarHBondContact O-N 3.3Å; L50-V52 PolarHBondContact O-N 3.36Å; L50-T68 CarbonylContact O-C 3.48Å; L50-T68 WeakPolarHBondContact O-CA 3.46Å; L50-T68 WeakPolarHBondContact O-CB 3.33Å; L50-E69 PolarHBondContact N-O 2.93Å; L50-E69 PolarHBondContact O-N 3.19Å; L50-F74 HydrophobicContact CD1-CE1 3.91Å; L50-F74 HydrophobicContact CD1-CZ 4.26Å; L50-F74 HydrophobicContact CG-CE1 4.45Å; L50-Y97 HydrophobicContact CD2-CD1 4.35Å; L50-Y97 HydrophobicContact CD2-CE1 4.31Å; L50-P107 HydrophobicContact CB-CG 4.47Å; L50-P107 HydrophobicContact CD2-CB 4.46Å; L50-P107 HydrophobicContact CD2-CG 4.44Å; L50-F110 HydrophobicContact CD2-CB 4.03Å; L50-F110 HydrophobicContact CD2-CD1 3.88Å; L50-F110 HydrophobicContact CD2-CG 4.33Å; L50-A124 HydrophobicContact CD1-CB 3.71Å; L50-R127 HydrophobicContact CD1-CG 4.48Å
51P91.7Very high87.2Confident2 Ų257.8 Ų57.81%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-50.5143164.2-25.833.3000111.3L59 F66 P67 Y97 P107 R127P51-L59 HydrophobicContact CB-CD2 3.56Å; P51-L59 HydrophobicContact CG-CD2 3.97Å; P51-F66 HydrophobicContact CB-CB 4.23Å; P51-P67 WeakPolarHBondContact CA-O 3.38Å; P51-Y97 VanDerWaalsContact CD-CE1 3.43Å; P51-Y97 HydrophobicContact CG-CD1 4.46Å; P51-Y97 HydrophobicContact CG-CE1 3.79Å; P51-Y97 HydrophobicContact CG-CE2 4Å; P51-P107 HydrophobicContact CB-CG 4.05Å; P51-P107 HydrophobicContact CG-CG 4.39Å; P51-P107 VanDerWaalsContact O-CD 3.31Å; P51-P107 WeakPolarHBondContact O-CD 3.32Å; P51-P107 WeakPolarHBondContact O-CG 3.28Å; P51-R127 PolarHBondContact O-NH1 3.27Å; P51-R127 PolarHBondContact O-NH2 3.35Å
52V89.4Confident85.9Confident50 Ų5062.8 Ų62.830%0.30333%0.331SS..PPolyproline II helixtrans-57159.8169.3-61.60000110.2L50 A54 P67 P107L50-V52 PolarHBondContact O-N 3.36Å; V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.17Å; V52-P67 HydrophobicContact CG1-CB 4.23Å; V52-P67 HydrophobicContact CG1-CG 4.46Å; V52-P67 HydrophobicContact CG2-CB 4.38Å; V52-P67 HydrophobicContact CG2-CG 3.73Å; V52-P67 PolarHBondContact N-O 3.48Å; V52-P107 WeakPolarHBondContact O-CD 3.39Å
53F85.3Confident84.6Confident83 Ų8363 Ų6336%0.36435%0.345SS..SBendtrans-53.5125177.3-81.5-61.9000112P29 L105 G106 L108 R127P29-F53 HydrophobicContact CG-CZ 4.06Å; F53-L105 HydrophobicContact CB-CD1 4.17Å; F53-L105 HydrophobicContact CD1-CD1 3.76Å; F53-L105 HydrophobicContact CD1-CD2 4.14Å; F53-L105 HydrophobicContact CD1-CG 3.74Å; F53-L105 HydrophobicContact CE1-CD1 4.39Å; F53-L105 HydrophobicContact CE1-CD2 3.94Å; F53-L105 HydrophobicContact CE1-CG 3.9Å; F53-L105 HydrophobicContact CG-CD1 4.17Å; F53-L105 HydrophobicContact CZ-CD2 4.41Å; F53-G106 CarbonylContact C-O 3.49Å; F53-G106 VanDerWaalsContact CA-O 3.25Å; F53-G106 WeakPolarHBondContact CA-O 3.3Å; F53-L108 HydrophobicContact CE1-CD2 4.12Å; F53-R127 HydrophobicContact CE1-CB 4.21Å; F53-R127 HydrophobicContact CE2-CB 4.48Å; F53-R127 HydrophobicContact CZ-CB 3.72Å; F53-R127 HydrophobicContact CZ-CG 4.11Å
54A78.1Confident83.3Confident18 Ų1866.6 Ų66.615%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-146172.1178.100000110V52 E58 L59 G106V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.17Å; A54-E58 HydrophobicContact CB-CB 4.13Å; A54-L59 HydrophobicContact CB-CD2 4.24Å; A54-L59 HydrophobicContact CB-CG 4.09Å; A54-G106 CarbonylContact C-O 3.45Å; A54-G106 PolarHBondContact N-O 3.48Å; A54-G106 CarbonylContact O-C 3.55Å; A54-G106 PolarHBondContact O-N 3.34Å; A54-G106 VanDerWaalsContact O-N 3.15Å
55R76.7Confident82.3Confident175 Ų17574.6 Ų74.666%0.6639%0.392SS*.EExtended strand (participates in β ladder)trans-78.1156.2171.9-63-176.2-179178.10.8110.8S57 E58 L59R55-S57 PolarHBondContact O-N 3.44Å; R55-E58 HydrophobicContact CB-CG 4.45Å; R55-E58 WeakPolarHBondContact CB-OE1 3.47Å; R55-E58 PolarHBondContact N-OE1 3.22Å; R55-E58 WeakPolarHBondContact O-CB 3.31Å; R55-E58 PolarHBondContact O-N 3.28Å; R55-L59 PolarHBondContact O-N 3.02Å
56K79Confident81.5Confident67 Ų6770.7 Ų70.729%0.29137%0.37SS..THydrogen-bonded Turntrans-50.7-40.3176.8-173.7179.7178.8174.20113.8E58 L59 S60 F88 T89 T99 E104K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; K56-L59 PolarHBondContact O-N 2.79Å; K56-S60 PolarHBondContact O-N 2.75Å; K56-S60 PolarHBondContact O-OG 2.79Å; K56-F88 WeakPolarHBondContact CE-O 3.25Å; K56-F88 PolarHBondContact NZ-O 2.85Å; K56-T89 HydrophobicContact CG-CG2 4.07Å; K56-T99 HydrophobicContact CB-CG2 4.15Å; K56-T99 HydrophobicContact CG-CG2 4.25Å; K56-E104 PolarHBondContact N-O 2.93Å
57S78.9Confident81.3Confident87 Ų8771.3 Ų71.361%0.60838%0.382SS*.THydrogen-bonded Turntrans-65-34.517953.80000112.9R55R55-S57 PolarHBondContact O-N 3.44Å
58E78.9Confident81.2Confident79 Ų7970.7 Ų70.737%0.36938%0.377SS..THydrogen-bonded Turntrans-71.9-43.4177.7-61.6176.1-97.300110.5A54 R55 K56 S60 N61 F66A54-E58 HydrophobicContact CB-CB 4.13Å; R55-E58 HydrophobicContact CB-CG 4.45Å; R55-E58 WeakPolarHBondContact CB-OE1 3.47Å; R55-E58 PolarHBondContact N-OE1 3.22Å; R55-E58 WeakPolarHBondContact O-CB 3.31Å; R55-E58 PolarHBondContact O-N 3.28Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; E58-S60 PolarHBondContact O-N 3Å; E58-S60 VanDerWaalsContact O-N 3.17Å; E58-N61 PolarHBondContact O-N 3.45Å; E58-F66 WeakPolarHBondContact O-CE1 3.47Å; E58-F66 WeakPolarHBondContact O-CZ 3.37Å
59L77.6Confident81.2Confident0 Ų073.2 Ų73.20%039%0.389CS..THydrogen-bonded Turntrans-69.2-9.5-179.6-67165.3000114.6P51 A54 R55 K56 T89 V92 Y97 T99 P107P51-L59 HydrophobicContact CB-CD2 3.56Å; P51-L59 HydrophobicContact CG-CD2 3.97Å; A54-L59 HydrophobicContact CB-CD2 4.24Å; A54-L59 HydrophobicContact CB-CG 4.09Å; R55-L59 PolarHBondContact O-N 3.02Å; K56-L59 PolarHBondContact O-N 2.79Å; L59-T89 HydrophobicContact CB-CG2 3.86Å; L59-T89 HydrophobicContact CD1-CG2 4.43Å; L59-V92 VanDerWaalsContact O-CG2 3.27Å; L59-V92 WeakPolarHBondContact O-CG2 3.39Å; L59-Y97 HydrophobicContact CB-CD2 4.36Å; L59-Y97 HydrophobicContact CD2-CD2 4.5Å; L59-T99 HydrophobicContact CD1-CG2 4.48Å; L59-P107 HydrophobicContact CD1-CB 4.44Å
60S80Confident81.2Confident29 Ų2973.6 Ų73.620%0.20339%0.39CS..THydrogen-bonded Turntrans-971.5-176.9-58.30000113.2K56 E58 P62K56-S60 PolarHBondContact O-N 2.75Å; K56-S60 PolarHBondContact O-OG 2.79Å; E58-S60 PolarHBondContact O-N 3Å; E58-S60 VanDerWaalsContact O-N 3.17Å; S60-P62 VanDerWaalsContact O-CD 3.31Å; S60-P62 WeakPolarHBondContact O-CD 3.34Å
61N77Confident81.3Confident68 Ų6873.9 Ų73.936%0.36439%0.392SS..  trans-92.7108179.6-171.8-6.2000111.4E58 S63 K64 F66E58-N61 PolarHBondContact O-N 3.45Å; N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.48Å; N61-S63 VanDerWaalsContact OD1-N 3.09Å; N61-S63 PolarHBondContact OD1-OG 3.1Å; N61-K64 HydrophobicContact CB-CB 4.41Å; N61-K64 PolarHBondContact O-N 2.83Å; N61-F66 HydrophobicContact CB-CZ 4.44Å; N61-F66 WeakPolarHBondContact O-CZ 3.41Å
62P68.5Low81.4Confident105 Ų10578.9 Ų78.968%0.68242%0.415SS*.THydrogen-bonded Turntrans-69.6-16.7-177.929.4-35.9000113.9S60 K64S60-P62 VanDerWaalsContact O-CD 3.31Å; S60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-K64 VanDerWaalsContact C-N 3.33Å
63S69.3Low81.7Confident104 Ų10479.7 Ų79.773%0.72742%0.416SS*.THydrogen-bonded Turntrans-88.30.9-178.378.30000113.7N61N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.48Å; N61-S63 VanDerWaalsContact OD1-N 3.09Å; N61-S63 PolarHBondContact OD1-OG 3.1Å
64K67.4Low82.2Confident106 Ų10675.8 Ų75.846%0.46140%0.398SS..  trans-112.8118.4-175.7-171.4169.5175.9-169.70108.4N61 P62 F66N61-K64 HydrophobicContact CB-CB 4.41Å; N61-K64 PolarHBondContact O-N 2.83Å; P62-K64 VanDerWaalsContact C-N 3.33Å; K64-F66 HydrophobicContact CB-CE1 3.87Å; K64-F66 HydrophobicContact CB-CE2 4.26Å; K64-F66 HydrophobicContact CB-CZ 3.64Å; K64-F66 HydrophobicContact CD-CD1 4.22Å; K64-F66 HydrophobicContact CD-CE1 3.58Å; K64-F66 HydrophobicContact CD-CZ 4.2Å; K64-F66 HydrophobicContact CG-CD1 4.09Å; K64-F66 HydrophobicContact CG-CE1 3.65Å; K64-F66 HydrophobicContact CG-CZ 3.98Å; K64-F66 WeakPolarHBondContact O-CD2 3.02Å; K64-F66 WeakPolarHBondContact O-CE2 3.43Å; K64-F66 WeakPolarHBondContact O-CZ 3.28Å
65E73.9Confident83.1Confident191 Ų19175 Ų7589%0.89339%0.391SS*.  trans-70.7129.9163.3-70.2177.5-168.800107.8
66F77.7Confident84.1Confident37 Ų3767.5 Ų67.516%0.16237%0.366CS..  trans-106.7142.6176.6-51.4-83.2000108.3P51 E58 N61 K64 T68P51-F66 HydrophobicContact CB-CB 4.23Å; E58-F66 WeakPolarHBondContact O-CE1 3.47Å; E58-F66 WeakPolarHBondContact O-CZ 3.37Å; N61-F66 HydrophobicContact CB-CZ 4.44Å; N61-F66 WeakPolarHBondContact O-CZ 3.41Å; K64-F66 HydrophobicContact CB-CE1 3.87Å; K64-F66 HydrophobicContact CB-CE2 4.26Å; K64-F66 HydrophobicContact CB-CZ 3.64Å; K64-F66 HydrophobicContact CD-CD1 4.22Å; K64-F66 HydrophobicContact CD-CE1 3.58Å; K64-F66 HydrophobicContact CD-CZ 4.2Å; K64-F66 HydrophobicContact CG-CD1 4.09Å; K64-F66 HydrophobicContact CG-CE1 3.65Å; K64-F66 HydrophobicContact CG-CZ 3.98Å; K64-F66 WeakPolarHBondContact O-CD2 3.02Å; K64-F66 WeakPolarHBondContact O-CE2 3.43Å; K64-F66 WeakPolarHBondContact O-CZ 3.28Å; F66-T68 PolarHBondContact O-N 3.02Å
67P86.8Confident84.9Confident91 Ų9164.4 Ų64.459%0.59135%0.353SS*.  trans-56.4132.9167.219.1-24.1000108.7P51 V52P51-P67 WeakPolarHBondContact CA-O 3.38Å; V52-P67 HydrophobicContact CG1-CB 4.23Å; V52-P67 HydrophobicContact CG1-CG 4.46Å; V52-P67 HydrophobicContact CG2-CB 4.38Å; V52-P67 HydrophobicContact CG2-CG 3.73Å; V52-P67 PolarHBondContact N-O 3.48Å
68T91.2Very high85.7Confident75 Ų7565 Ų6546%0.4635%0.349SS..EExtended strand (participates in β ladder)trans-116.2157.2179.1580000110N49 L50 F66N49-T68 HydrophobicContact CB-CG2 4.45Å; L50-T68 CarbonylContact O-C 3.48Å; L50-T68 WeakPolarHBondContact O-CA 3.46Å; L50-T68 WeakPolarHBondContact O-CB 3.33Å; F66-T68 PolarHBondContact O-N 3.02Å
69E92.3Very high86.3Confident79 Ų7964.8 Ų64.837%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-127.5141.9170.867.3-175-157.800110N49 L50 T71 R127N49-E69 WeakPolarHBondContact CA-O 3.49Å; L50-E69 PolarHBondContact N-O 2.93Å; L50-E69 PolarHBondContact O-N 3.19Å; E69-T71 PolarHBondContact O-N 3.1Å; E69-R127 IonicContact OE1-CZ 2.76Å; E69-R127 IonicContact OE1-NE 3.55Å; E69-R127 PolarHBondContact OE1-NE 3.01Å; E69-R127 IonicContact OE1-NH2 2.95Å; E69-R127 PolarHBondContact OE1-NH2 2.84Å; E69-R127 IonicContact OE2-NH2 3.3Å
70L93.6Very high87Confident99 Ų9969.1 Ų69.152%0.51837%0.372SS..EExtended strand (participates in β ladder)trans-70.6121.8175.9-176.565000109.2P47 E72P47-L70 HydrophobicContact CB-CD1 4.06Å; L70-E72 HydrophobicContact CG-CG 4.38Å
71T93.9Very high87.6Confident7 Ų776.9 Ų76.94%0.04340%0.398CS..EExtended strand (participates in β ladder)trans-120.6136.7171.7-56.20000108.6P47 H48 E69 F74 A124P47-T71 CarbonylContact C-O 3.55Å; P47-T71 WeakPolarHBondContact CA-O 3.45Å; H48-T71 PolarHBondContact N-O 3.01Å; H48-T71 PolarHBondContact O-N 2.92Å; E69-T71 PolarHBondContact O-N 3.1Å; T71-F74 HydrophobicContact CG2-CE1 4.12Å; T71-F74 HydrophobicContact CG2-CE2 3.84Å; T71-F74 HydrophobicContact CG2-CZ 3.57Å; T71-F74 WeakPolarHBondContact O-CE2 2.92Å; T71-A124 HydrophobicContact CG2-CB 3.8Å
72E94.4Very high88.5Confident106 Ų10674.9 Ų74.950%0.49539%0.391SS..EExtended strand (participates in β ladder)trans-113.6-29.8-175.5-58.8-174.3173.800112.9N45 K46 P47 L70N45-E72 CarbonylContact C-O 3.57Å; N45-E72 VanDerWaalsContact CA-O 3.31Å; N45-E72 WeakPolarHBondContact CA-O 3.19Å; K46-E72 PolarHBondContact N-O 3.43Å; P47-E72 HydrophobicContact CB-CG 4.25Å; P47-E72 HydrophobicContact CG-CG 4.18Å; L70-E72 HydrophobicContact CG-CG 4.38Å
73E95Very high89.8Confident68 Ų6870.8 Ų70.832%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-104.3123.8-173.8-64.3-175.8107.100112L125E73-L125 HydrophobicContact CB-CB 4.38Å; E73-L125 HydrophobicContact CB-CD1 4.33Å; E73-L125 HydrophobicContact CB-CD2 4.22Å; E73-L125 PolarHBondContact O-N 2.72Å; E73-L125 VanDerWaalsContact O-N 3.12Å
74F96.9Very high91.1Very high0 Ų070.1 Ų70.10%035%0.348CS..EExtended strand (participates in β ladder)trans-134.2145.7-177.9-64-95.4000112.5L43 A44 K46 H48 L50 T71 F110 Y122 V123 A124L43-F74 CarbonylContact C-O 3.55Å; L43-F74 WeakPolarHBondContact CA-O 3.4Å; A44-F74 PolarHBondContact N-O 2.69Å; A44-F74 PolarHBondContact O-N 2.96Å; K46-F74 WeakPolarHBondContact O-CE2 3.43Å; H48-F74 HydrophobicContact CB-CE2 4.29Å; H48-F74 HydrophobicContact CB-CZ 4.03Å; L50-F74 HydrophobicContact CD1-CE1 3.91Å; L50-F74 HydrophobicContact CD1-CZ 4.26Å; L50-F74 HydrophobicContact CG-CE1 4.45Å; T71-F74 HydrophobicContact CG2-CE1 4.12Å; T71-F74 HydrophobicContact CG2-CE2 3.84Å; T71-F74 HydrophobicContact CG2-CZ 3.57Å; T71-F74 WeakPolarHBondContact O-CE2 2.92Å; F74-F110 HydrophobicContact CD1-CE1 4.15Å; F74-F110 AromaticContact CE1-CD1 3.9Å; F74-F110 HydrophobicContact CE1-CD1 3.9Å; F74-F110 AromaticContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE2-CE1 4.47Å; F74-F110 HydrophobicContact CZ-CD1 4.38Å; F74-F110 AromaticContact CZ-CE1 3.82Å; F74-F110 HydrophobicContact CZ-CE1 3.82Å; F74-Y122 HydrophobicContact CB-CD1 4.08Å; F74-V123 CarbonylContact C-O 3.49Å; F74-V123 VanDerWaalsContact CA-O 3.25Å; F74-V123 WeakPolarHBondContact CA-O 3.5Å; F74-A124 HydrophobicContact CD1-CB 4.02Å; F74-A124 HydrophobicContact CE1-CB 3.77Å
75W96.7Very high92.4Very high1 Ų167.9 Ų67.90%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-81.7114.3158.6-72.1120.3000108.9N13 R16 N22 I26 A41 K42 L43 Y122 V123 L125N13-W75 WeakPolarHBondContact O-CZ2 3.42Å; N13-W75 PolarHBondContact O-NE1 3.45Å; R16-W75 HydrophobicContact CB-CH2 4.35Å; R16-W75 HydrophobicContact CG-CH2 3.95Å; N22-W75 HydrophobicContact CB-CD2 3.85Å; N22-W75 HydrophobicContact CB-CE3 3.83Å; N22-W75 HydrophobicContact CB-CH2 3.71Å; N22-W75 HydrophobicContact CB-CZ2 3.71Å; N22-W75 HydrophobicContact CB-CZ3 3.76Å; N22-W75 VanDerWaalsContact N-CZ3 3.28Å; I26-W75 HydrophobicContact CD1-CG 4.43Å; I26-W75 HydrophobicContact CG1-CG 4.46Å; A41-W75 HydrophobicContact CB-CB 3.72Å; A41-W75 HydrophobicContact CB-CD2 4.44Å; A41-W75 HydrophobicContact CB-CE3 4.14Å; A41-W75 HydrophobicContact CB-CG 4.3Å; K42-W75 VanDerWaalsContact C-CE3 3.49Å; L43-W75 HydrophobicContact CB-CE3 4.29Å; L43-W75 HydrophobicContact CB-CH2 4.33Å; L43-W75 HydrophobicContact CB-CZ3 3.84Å; L43-W75 HydrophobicContact CD1-CE3 4.49Å; L43-W75 HydrophobicContact CD1-CZ3 4.46Å; L43-W75 VanDerWaalsContact N-CZ3 3.32Å; W75-Y122 WeakPolarHBondContact O-CA 3.37Å; W75-V123 HydrophobicContact CB-CB 4.25Å; W75-V123 PolarHBondContact N-O 2.85Å; W75-V123 PolarHBondContact O-N 2.83Å; W75-L125 HydrophobicContact CB-CD1 4.45Å; W75-L125 VanDerWaalsContact CD1-CD1 3.41Å; W75-L125 HydrophobicContact CD2-CD1 4.12Å; W75-L125 HydrophobicContact CG-CD1 3.78Å
76C96.9Very high93.4Very high19 Ų1960.1 Ų60.113%0.12831%0.306CS..EExtended strand (participates in β ladder)trans-94.5129.2177.6-175.50000110.6A41 K42 A44 Y121 Y122A41-C76 CarbonylContact C-O 3.56Å; A41-C76 VanDerWaalsContact CA-O 3.31Å; A41-C76 WeakPolarHBondContact CA-O 3.4Å; K42-C76 PolarHBondContact N-O 2.77Å; K42-C76 PolarHBondContact O-N 2.77Å; A44-C76 HydrophobicContact CB-CB 3.85Å; C76-Y121 CarbonylContact C-O 3.58Å; C76-Y121 WeakPolarHBondContact CA-O 3.08Å; C76-Y122 HydrophobicContact CB-CD1 4.01Å; C76-Y122 HydrophobicContact CB-CE1 3.97Å
77V96.1Very high94.3Very high2 Ų259 Ų591%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-122.9134.1177.4-176.10000107.8L36 A41 D79 A82 F83 Y121L36-V77 HydrophobicContact CD1-CG2 3.63Å; L36-V77 HydrophobicContact CD2-CG1 4.44Å; L36-V77 HydrophobicContact CD2-CG2 3.69Å; L36-V77 HydrophobicContact CG-CG2 4.31Å; A41-V77 HydrophobicContact CB-CG2 3.49Å; A41-V77 VanDerWaalsContact CB-CG2 3.49Å; V77-D79 WeakPolarHBondContact CG1-O 3.39Å; V77-A82 HydrophobicContact CG1-CB 3.6Å; V77-F83 HydrophobicContact CB-CE2 4.39Å; V77-F83 HydrophobicContact CB-CZ 4.23Å; V77-F83 HydrophobicContact CG1-CE2 4.39Å; V77-F83 HydrophobicContact CG2-CZ 4.25Å; V77-Y121 PolarHBondContact N-O 2.95Å; V77-Y121 WeakPolarHBondContact O-CD2 3.35Å; V77-Y121 PolarHBondContact O-N 2.91Å
78N94.6Very high94.6Very high98 Ų9856.8 Ų56.852%0.52429%0.286SS..SBendtrans-101.414.4-177-65.1-32.7000113.1N119N78-N119 CarbonylContact C-O 3.03Å; N78-N119 WeakPolarHBondContact CA-O 3.46Å; N78-N119 WeakPolarHBondContact O-CB 3.31Å; N78-N119 PolarHBondContact O-ND2 2.85Å
79D92.5Very high94.6Very high76 Ų7653.3 Ų53.341%0.40627%0.265SS..  trans-150.3124.4-177.9-176.65.7000110.1V77 Y81 A82V77-D79 WeakPolarHBondContact CG1-O 3.39Å; D79-Y81 PolarHBondContact O-N 2.85Å; D79-Y81 VanDerWaalsContact OD1-CD2 3.25Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.45Å; D79-Y81 PolarHBondContact OD1-N 3.17Å; D79-A82 HydrophobicContact CB-CB 4.45Å; D79-A82 WeakPolarHBondContact O-CB 3Å; D79-A82 PolarHBondContact O-N 2.87Å
80M92.6Very high94.6Very high90 Ų9054.9 Ų54.944%0.44328%0.276SS..G310 helixtrans-65-24.8177.472.8175.570.500112.5A82 F83 Y121M80-A82 PolarHBondContact O-N 3.03Å; M80-F83 WeakPolarHBondContact O-CD2 3.37Å; M80-F83 PolarHBondContact O-N 2.85Å; M80-Y121 HydrophobicContact CB-CE1 4.45Å; M80-Y121 HydrophobicContact CB-CE2 3.84Å; M80-Y121 WeakPolarHBondContact CE-OH 3.41Å
81Y92.7Very high94.4Very high193 Ų19353.7 Ų53.776%0.75727%0.273SS*.G310 helixtrans-80.1-5.8-179-60.5-70000113.2D79 F83D79-Y81 PolarHBondContact O-N 2.85Å; D79-Y81 VanDerWaalsContact OD1-CD2 3.25Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.45Å; D79-Y81 PolarHBondContact OD1-N 3.17Å; Y81-F83 VanDerWaalsContact C-N 3.28Å
82A94.8Very high94.1Very high26 Ų2654.3 Ų54.322%0.21528%0.277CS..G310 helixtrans-78.5-13.3173.100000113L36 V77 D79 M80L36-A82 WeakPolarHBondContact CD2-O 3.21Å; V77-A82 HydrophobicContact CG1-CB 3.6Å; D79-A82 HydrophobicContact CB-CB 4.45Å; D79-A82 WeakPolarHBondContact O-CB 3Å; D79-A82 PolarHBondContact O-N 2.87Å; M80-A82 PolarHBondContact O-N 3.03Å
83F96.7Very high93.8Very high19 Ų1954.1 Ų54.18%0.08329%0.287CS..BIsolated β-bridgetrans-77.1142174-68.7-77.5000111.6V35 L36 V77 M80 Y81 V86 L98 Y121 V123V35-F83 HydrophobicContact CG1-CD1 3.99Å; V35-F83 HydrophobicContact CG1-CE1 4.21Å; V35-F83 WeakPolarHBondContact O-CA 3.38Å; L36-F83 HydrophobicContact CD1-CD1 4.4Å; L36-F83 HydrophobicContact CD1-CE1 3.93Å; L36-F83 HydrophobicContact CD2-CD1 3.57Å; L36-F83 HydrophobicContact CD2-CE1 3.77Å; L36-F83 HydrophobicContact CD2-CG 4.11Å; L36-F83 HydrophobicContact CD2-CZ 4.45Å; L36-F83 HydrophobicContact CG-CD1 3.8Å; L36-F83 HydrophobicContact CG-CE1 3.84Å; V77-F83 HydrophobicContact CB-CE2 4.39Å; V77-F83 HydrophobicContact CB-CZ 4.23Å; V77-F83 HydrophobicContact CG1-CE2 4.39Å; V77-F83 HydrophobicContact CG2-CZ 4.25Å; M80-F83 WeakPolarHBondContact O-CD2 3.37Å; M80-F83 PolarHBondContact O-N 2.85Å; Y81-F83 VanDerWaalsContact C-N 3.28Å; F83-V86 HydrophobicContact CB-CB 4.03Å; F83-V86 HydrophobicContact CB-CG1 3.4Å; F83-V86 VanDerWaalsContact CB-CG1 3.4Å; F83-V86 HydrophobicContact CD1-CB 3.99Å; F83-V86 HydrophobicContact CD1-CG1 3.91Å; F83-V86 HydrophobicContact CD1-CG2 4.29Å; F83-V86 HydrophobicContact CD2-CG1 3.98Å; F83-V86 HydrophobicContact CG-CB 4.09Å; F83-V86 HydrophobicContact CG-CG1 3.5Å; F83-L98 HydrophobicContact CE1-CD2 3.84Å; F83-L98 HydrophobicContact CE2-CD2 4.36Å; F83-L98 HydrophobicContact CZ-CD2 3.6Å; F83-Y121 HydrophobicContact CE2-CD1 4.29Å; F83-Y121 HydrophobicContact CE2-CD2 4.1Å; F83-Y121 AromaticContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CZ-CG 4.26Å; F83-V123 HydrophobicContact CE1-CG2 3.64Å; F83-V123 HydrophobicContact CZ-CG2 4.05Å
84E96.6Very high93.7Very high90 Ų9051.9 Ų51.942%0.42128%0.278SS..SBendtrans-90.7-60.3176.9-64.6-85.8136.500110.8I34 V35 R37I34-E84 HydrophobicContact CB-CB 4.36Å; I34-E84 HydrophobicContact CG2-CB 4.1Å; I34-E84 HydrophobicContact CG2-CG 3.89Å; I34-E84 WeakPolarHBondContact O-CB 3.29Å; V35-E84 PolarHBondContact O-N 2.87Å; R37-E84 HydrophobicContact CG-CG 3.84Å; R37-E84 IonicContact CZ-OE2 3.64Å; R37-E84 VanDerWaalsContact CZ-OE2 3.3Å; R37-E84 IonicContact NE-OE1 2.69Å; R37-E84 IonicContact NE-OE2 2.69Å; R37-E84 PolarHBondContact NE-OE2 3.47Å; R37-E84 IonicContact NH2-OE2 3.09Å; R37-E84 PolarHBondContact NH2-OE2 3.12Å
85N93.9Very high93.4Very high59 Ų5954 Ų5432%0.31629%0.287SS..SBendtrans-133.976.2-177.7-59-76.6000111.4S33 I34 A101S33-N85 WeakPolarHBondContact OG-CB 3.48Å; I34-N85 WeakPolarHBondContact O-CB 3.14Å; I34-N85 PolarHBondContact O-N 3.17Å; I34-N85 VanDerWaalsContact O-N 3.1Å; I34-N85 PolarHBondContact O-ND2 3.06Å; N85-A101 HydrophobicContact CB-CB 4.13Å; N85-A101 PolarHBondContact O-N 3.44Å
86V95.9Very high93.3Very high28 Ų2858.3 Ų58.317%0.1730%0.303CS..EExtended strand (participates in β ladder)trans-120.8140.2178.179.70000111.6F83 F88 L98 T99F83-V86 HydrophobicContact CB-CB 4.03Å; F83-V86 HydrophobicContact CB-CG1 3.4Å; F83-V86 VanDerWaalsContact CB-CG1 3.4Å; F83-V86 HydrophobicContact CD1-CB 3.99Å; F83-V86 HydrophobicContact CD1-CG1 3.91Å; F83-V86 HydrophobicContact CD1-CG2 4.29Å; F83-V86 HydrophobicContact CD2-CG1 3.98Å; F83-V86 HydrophobicContact CG-CB 4.09Å; F83-V86 HydrophobicContact CG-CG1 3.5Å; V86-F88 HydrophobicContact CG1-CD2 4.45Å; V86-F88 HydrophobicContact CG1-CE2 3.64Å; V86-F88 HydrophobicContact CG1-CZ 3.96Å; V86-L98 HydrophobicContact CG2-CB 3.89Å; V86-L98 HydrophobicContact CG2-CD2 4.08Å; V86-L98 HydrophobicContact CG2-CG 3.96Å; V86-T99 WeakPolarHBondContact CG2-O 3.46Å
87G95.1Very high93.2Very high13 Ų1358.4 Ų58.413%0.13430%0.301CS..EExtended strand (participates in β ladder)trans-104.6155.416800000111L98 T99G87-L98 CarbonylContact O-C 3.58Å; G87-L98 WeakPolarHBondContact O-CA 3.44Å; G87-T99 PolarHBondContact N-O 3.48Å; G87-T99 PolarHBondContact O-N 2.91Å
88F93.8Very high93.3Very high45 Ų4558.4 Ų58.420%0.19730%0.301CS..EExtended strand (participates in β ladder)trans-119.5138.6172.7-64.7-92.3000110K56 V86 Y97 L98 Y121K56-F88 WeakPolarHBondContact CE-O 3.25Å; K56-F88 PolarHBondContact NZ-O 2.85Å; V86-F88 HydrophobicContact CG1-CD2 4.45Å; V86-F88 HydrophobicContact CG1-CE2 3.64Å; V86-F88 HydrophobicContact CG1-CZ 3.96Å; F88-Y97 WeakPolarHBondContact CA-O 3.4Å; F88-L98 HydrophobicContact CD1-CD1 3.96Å; F88-L98 HydrophobicContact CD1-CG 4.15Å; F88-L98 HydrophobicContact CE1-CD1 3.69Å; F88-L98 HydrophobicContact CE1-CD2 4.47Å; F88-L98 HydrophobicContact CE1-CG 3.77Å; F88-L98 HydrophobicContact CZ-CG 4.43Å; F88-Y121 AromaticContact CE1-CD1 3.8Å; F88-Y121 HydrophobicContact CE1-CD1 3.8Å; F88-Y121 AromaticContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CZ-CD1 4.14Å; F88-Y121 HydrophobicContact CZ-CE1 4.14Å
89T92.3Very high93.3Very high1 Ų153.8 Ų53.81%0.00628%0.277CS..PPolyproline II helixtrans-69.8170.7168.564.90000111.2K56 L59 R96 Y97 T99K56-T89 HydrophobicContact CG-CG2 4.07Å; L59-T89 HydrophobicContact CB-CG2 3.86Å; L59-T89 HydrophobicContact CD1-CG2 4.43Å; T89-R96 PolarHBondContact O-NE 3.34Å; T89-Y97 PolarHBondContact N-O 2.86Å; T89-Y97 PolarHBondContact OG1-N 2.97Å; T89-T99 HydrophobicContact CG2-CG2 4.09Å
90N91Very high93.5Very high113 Ų11350.2 Ų50.260%0.60426%0.257SS*.PPolyproline II helixtrans-61.2156.2158.2-67.6-22.2000109.5V92N90-V92 PolarHBondContact O-N 3.08Å
91T91.1Very high93.6Very high73 Ų7348.2 Ų48.245%0.44826%0.255SS..PPolyproline II helixtrans-66.9124.9175.4-51.80000109.5S93 F95 R96T91-S93 VanDerWaalsContact CG2-O 3.26Å; T91-S93 WeakPolarHBondContact CG2-O 3.26Å; T91-F95 WeakPolarHBondContact CA-O 3.4Å; T91-R96 HydrophobicContact CG2-CG 4.45Å; T91-R96 WeakPolarHBondContact OG1-CG 3.37Å
92V87.2Confident93.8Very high21 Ų2144.1 Ų44.113%0.12725%0.247CC..BIsolated β-bridgetrans-113.6113.9170.2178.50000107.1L59 N90 T94 F95 Y97L59-V92 VanDerWaalsContact O-CG2 3.27Å; L59-V92 WeakPolarHBondContact O-CG2 3.39Å; N90-V92 PolarHBondContact O-N 3.08Å; V92-T94 PolarHBondContact O-N 3.05Å; V92-T94 VanDerWaalsContact O-N 3.13Å; V92-F95 PolarHBondContact N-O 3.36Å; V92-F95 PolarHBondContact O-N 2.87Å; V92-Y97 HydrophobicContact CB-CE2 4.44Å
93S87.9Confident93.7Very high101 Ų10145 Ų4571%0.70625%0.25SS*.THydrogen-bonded Turntrans58.1-109.1-166.1-172.60000111T91T91-S93 VanDerWaalsContact CG2-O 3.26Å; T91-S93 WeakPolarHBondContact CG2-O 3.26Å
94T91.6Very high93.6Very high21 Ų2149 Ų4913%0.12927%0.27CS..THydrogen-bonded Turntrans-106-6.7176.664.40000112.7V92 D112 T113 Q114V92-T94 PolarHBondContact O-N 3.05Å; V92-T94 VanDerWaalsContact O-N 3.13Å; T94-D112 WeakPolarHBondContact CB-OD1 3.41Å; T94-D112 PolarHBondContact OG1-OD1 2.93Å; T94-T113 WeakPolarHBondContact O-CB 3.34Å; T94-T113 PolarHBondContact O-N 2.78Å; T94-T113 PolarHBondContact O-OG1 3.15Å; T94-Q114 HydrophobicContact CG2-CB 3.96Å; T94-Q114 HydrophobicContact CG2-CG 3.73Å
95F92.4Very high93.4Very high46 Ų4645.5 Ų45.520%0.20225%0.253CS..EExtended strand (participates in β ladder)trans-101.8138.3-169.7-57.9-66.2000112.7H48 T91 V92 Y97 F110 H111 D112H48-F95 AromaticContact CE1-CE1 3.54Å; H48-F95 AromaticContact CE1-CZ 3.64Å; T91-F95 WeakPolarHBondContact CA-O 3.4Å; V92-F95 PolarHBondContact N-O 3.36Å; V92-F95 PolarHBondContact O-N 2.87Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å; F95-F110 AromaticContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CE1-CD2 4.23Å; F95-F110 HydrophobicContact CE1-CE2 4.42Å; F95-H111 WeakPolarHBondContact CA-O 3.31Å; F95-D112 HydrophobicContact CD1-CB 4.01Å; F95-D112 HydrophobicContact CE1-CB 3.85Å; F95-D112 WeakPolarHBondContact CE1-OD2 3.08Å
96R94.1Very high93.3Very high91 Ų9142.7 Ų42.734%0.34324%0.238SC..EExtended strand (participates in β ladder)trans-109.8122.4160.9-64.1-177.171-171.22.7108.1T89 T91 F110 H111 T113T89-R96 PolarHBondContact O-NE 3.34Å; T91-R96 HydrophobicContact CG2-CG 4.45Å; T91-R96 WeakPolarHBondContact OG1-CG 3.37Å; R96-F110 CarbonylContact O-C 3.48Å; R96-F110 WeakPolarHBondContact O-CA 3.27Å; R96-H111 PolarHBondContact N-O 3.45Å; R96-H111 PolarHBondContact O-N 3.44Å; R96-T113 HydrophobicContact CG-CG2 3.96Å
97Y95.1Very high93.3Very high21 Ų2141.3 Ų41.38%0.08223%0.23CC..EExtended strand (participates in β ladder)trans-86.1140.7179.2-63.2-64000110.8L50 P51 L59 F88 T89 V92 F95 P107 F110L50-Y97 HydrophobicContact CD2-CD1 4.35Å; L50-Y97 HydrophobicContact CD2-CE1 4.31Å; P51-Y97 VanDerWaalsContact CD-CE1 3.43Å; P51-Y97 HydrophobicContact CG-CD1 4.46Å; P51-Y97 HydrophobicContact CG-CE1 3.79Å; P51-Y97 HydrophobicContact CG-CE2 4Å; L59-Y97 HydrophobicContact CB-CD2 4.36Å; L59-Y97 HydrophobicContact CD2-CD2 4.5Å; F88-Y97 WeakPolarHBondContact CA-O 3.4Å; T89-Y97 PolarHBondContact N-O 2.86Å; T89-Y97 PolarHBondContact OG1-N 2.97Å; V92-Y97 HydrophobicContact CB-CE2 4.44Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å; Y97-P107 HydrophobicContact CD1-CB 3.94Å; Y97-P107 HydrophobicContact CD1-CG 4.49Å; Y97-P107 HydrophobicContact CG-CB 4.16Å; Y97-F110 HydrophobicContact CD1-CB 4.12Å; Y97-F110 HydrophobicContact CE1-CB 4.42Å
98L96.7Very high93.3Very high1 Ų140.7 Ų40.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-87.5132.8176.7-77.864.9000108.9F83 V86 G87 F88 P107 L108 G109 H111 V123F83-L98 HydrophobicContact CE1-CD2 3.84Å; F83-L98 HydrophobicContact CE2-CD2 4.36Å; F83-L98 HydrophobicContact CZ-CD2 3.6Å; V86-L98 HydrophobicContact CG2-CB 3.89Å; V86-L98 HydrophobicContact CG2-CD2 4.08Å; V86-L98 HydrophobicContact CG2-CG 3.96Å; G87-L98 CarbonylContact O-C 3.58Å; G87-L98 WeakPolarHBondContact O-CA 3.44Å; F88-L98 HydrophobicContact CD1-CD1 3.96Å; F88-L98 HydrophobicContact CD1-CG 4.15Å; F88-L98 HydrophobicContact CE1-CD1 3.69Å; F88-L98 HydrophobicContact CE1-CD2 4.47Å; F88-L98 HydrophobicContact CE1-CG 3.77Å; F88-L98 HydrophobicContact CZ-CG 4.43Å; L98-P107 CarbonylContact O-C 3.57Å; L98-P107 VanDerWaalsContact O-CA 3.29Å; L98-P107 WeakPolarHBondContact O-CA 3.29Å; L98-L108 PolarHBondContact O-N 3.15Å; L98-G109 PolarHBondContact N-O 2.93Å; L98-H111 HydrophobicContact CD1-CB 4.28Å; L98-V123 HydrophobicContact CD2-CG2 4Å
99T96Very high93.5Very high2 Ų238.6 Ų38.61%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-123.3159.9176.269.40000109.8K56 L59 V86 G87 T89 A101 L105K56-T99 HydrophobicContact CB-CG2 4.15Å; K56-T99 HydrophobicContact CG-CG2 4.25Å; L59-T99 HydrophobicContact CD1-CG2 4.48Å; V86-T99 WeakPolarHBondContact CG2-O 3.46Å; G87-T99 PolarHBondContact N-O 3.48Å; G87-T99 PolarHBondContact O-N 2.91Å; T89-T99 HydrophobicContact CG2-CG2 4.09Å; T99-A101 PolarHBondContact O-N 3.18Å; T99-L105 CarbonylContact C-O 3.4Å; T99-L105 WeakPolarHBondContact CA-O 3Å
100C96.6Very high93.6Very high0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-63.6133.5166.2179.30000109.4C28 C31 D102 E104 L105 L108C28-C100 HydrophobicContact CB-CB 4.14Å; C31-C100 PolarHBondContact SG-SG 3.35Å; C100-D102 VanDerWaalsContact C-N 3.34Å; C100-D102 PolarHBondContact SG-N 3.24Å; C100-E104 WeakPolarHBondContact O-CA 3.41Å; C100-E104 PolarHBondContact O-N 3.03Å; C100-E104 VanDerWaalsContact O-N 3.1Å; C100-L105 PolarHBondContact N-O 2.76Å; C100-L108 HydrophobicContact CB-CD1 4.16Å
101A95.1Very high93.9Very high49 Ų4933.9 Ų33.941%0.40519%0.189SC..THydrogen-bonded Turntrans-70-30.5177.300000112.9N85 T99N85-A101 HydrophobicContact CB-CB 4.13Å; N85-A101 PolarHBondContact O-N 3.44Å; T99-A101 PolarHBondContact O-N 3.18Å
102D95.3Very high94Very high107 Ų10731.1 Ų31.157%0.57217%0.171SC*.THydrogen-bonded Turntrans-86.3-40.6-173.8-64.1-29.3000113.8S33 C100S33-D102 WeakPolarHBondContact CB-OD2 3.43Å; S33-D102 PolarHBondContact OG-OD2 2.67Å; C100-D102 VanDerWaalsContact C-N 3.34Å; C100-D102 PolarHBondContact SG-N 3.24Å
103C94.2Very high94.3Very high43 Ų4332.7 Ų32.729%0.29118%0.181SC..THydrogen-bonded Turntrans-115.22.8-176.272.90000114.4C31 L105C31-C103 HydrophobicContact CB-CB 4.18Å; C31-C103 VanDerWaalsContact SG-SG 3.63Å; C103-L105 PolarHBondContact O-N 2.83Å
104E93.4Very high94.4Very high105 Ų10535 Ų3549%0.49118%0.181SC..  trans5710.9178.6-55-168.3141.300116.1K56 C100 G106K56-E104 PolarHBondContact N-O 2.93Å; C100-E104 WeakPolarHBondContact O-CA 3.41Å; C100-E104 PolarHBondContact O-N 3.03Å; C100-E104 VanDerWaalsContact O-N 3.1Å; E104-G106 PolarHBondContact O-N 3.42Å
105L92.7Very high94.2Very high15 Ų1541 Ų418%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-65.4129.8173.9-178.470.8000109.7P29 R30 F53 T99 C100 C103P29-L105 HydrophobicContact CG-CD2 4.02Å; R30-L105 HydrophobicContact CB-CD2 3.71Å; F53-L105 HydrophobicContact CB-CD1 4.17Å; F53-L105 HydrophobicContact CD1-CD1 3.76Å; F53-L105 HydrophobicContact CD1-CD2 4.14Å; F53-L105 HydrophobicContact CD1-CG 3.74Å; F53-L105 HydrophobicContact CE1-CD1 4.39Å; F53-L105 HydrophobicContact CE1-CD2 3.94Å; F53-L105 HydrophobicContact CE1-CG 3.9Å; F53-L105 HydrophobicContact CG-CD1 4.17Å; F53-L105 HydrophobicContact CZ-CD2 4.41Å; T99-L105 CarbonylContact C-O 3.4Å; T99-L105 WeakPolarHBondContact CA-O 3Å; C100-L105 PolarHBondContact N-O 2.76Å; C103-L105 PolarHBondContact O-N 2.83Å
106G92.1Very high93.8Very high0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-162.7-177.9171.100000112.6F53 A54 E104F53-G106 CarbonylContact C-O 3.49Å; F53-G106 VanDerWaalsContact CA-O 3.25Å; F53-G106 WeakPolarHBondContact CA-O 3.3Å; A54-G106 CarbonylContact C-O 3.45Å; A54-G106 PolarHBondContact N-O 3.48Å; A54-G106 CarbonylContact O-C 3.55Å; A54-G106 PolarHBondContact O-N 3.34Å; A54-G106 VanDerWaalsContact O-N 3.15Å; E104-G106 PolarHBondContact O-N 3.42Å
107P95.3Very high93.5Very high0 Ų040.7 Ų40.70%023%0.233CC..  cis-73.6132.8-6.831.5-32.7000110.5L50 P51 V52 L59 Y97 L98 G109 R127L50-P107 HydrophobicContact CB-CG 4.47Å; L50-P107 HydrophobicContact CD2-CB 4.46Å; L50-P107 HydrophobicContact CD2-CG 4.44Å; P51-P107 HydrophobicContact CB-CG 4.05Å; P51-P107 HydrophobicContact CG-CG 4.39Å; P51-P107 VanDerWaalsContact O-CD 3.31Å; P51-P107 WeakPolarHBondContact O-CD 3.32Å; P51-P107 WeakPolarHBondContact O-CG 3.28Å; V52-P107 WeakPolarHBondContact O-CD 3.39Å; L59-P107 HydrophobicContact CD1-CB 4.44Å; Y97-P107 HydrophobicContact CD1-CB 3.94Å; Y97-P107 HydrophobicContact CD1-CG 4.49Å; Y97-P107 HydrophobicContact CG-CB 4.16Å; L98-P107 CarbonylContact O-C 3.57Å; L98-P107 VanDerWaalsContact O-CA 3.29Å; L98-P107 WeakPolarHBondContact O-CA 3.29Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-R127 PolarHBondContact O-NH1 2.98Å
108L96.2Very high93.2Very high0 Ų045.1 Ų45.10%026%0.262CS..SBendtrans-78.2-19.5162.2-59.1178.8000110.9V35 F53 L98 C100 A124 R127 T128V35-L108 HydrophobicContact CG2-CD1 3.82Å; F53-L108 HydrophobicContact CE1-CD2 4.12Å; L98-L108 PolarHBondContact O-N 3.15Å; C100-L108 HydrophobicContact CB-CD1 4.16Å; L108-A124 PolarHBondContact O-N 3.43Å; L108-R127 VanDerWaalsContact CD2-O 3.28Å; L108-R127 WeakPolarHBondContact CD2-O 2.94Å; L108-T128 HydrophobicContact CD2-CG2 4.38Å
109G96.8Very high93Very high0 Ų048.5 Ų48.50%028%0.28CS..EExtended strand (participates in β ladder)trans177.9-171.4-170.800000112.1L98 P107 Y122L98-G109 PolarHBondContact N-O 2.93Å; P107-G109 VanDerWaalsContact C-N 3.26Å; G109-Y122 CarbonylContact C-O 3.52Å; G109-Y122 WeakPolarHBondContact CA-O 3.25Å
110F96.1Very high92.9Very high1 Ų148.5 Ų48.50%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-144.5162.5179.874.4-80.9000112.6K46 H48 L50 F74 F95 R96 Y97 Y122K46-F110 HydrophobicContact CD-CZ 4.12Å; H48-F110 HydrophobicContact CB-CE1 3.82Å; H48-F110 HydrophobicContact CB-CZ 4.01Å; H48-F110 AromaticContact CD2-CD1 3.41Å; H48-F110 VanDerWaalsContact CD2-CD1 3.41Å; H48-F110 WeakPolarHBondContact CD2-CD1 3.41Å; H48-F110 AromaticContact CD2-CE1 3.4Å; H48-F110 VanDerWaalsContact CD2-CE1 3.4Å; H48-F110 WeakPolarHBondContact CD2-CE1 3.48Å; H48-F110 AromaticContact CD2-CG 3.84Å; H48-F110 AromaticContact CD2-CZ 3.83Å; H48-F110 AromaticContact CE1-CE2 3.93Å; H48-F110 AromaticContact CG-CE1 3.53Å; H48-F110 AromaticContact CG-CZ 3.61Å; H48-F110 AromaticContact ND1-CZ 3.82Å; H48-F110 AromaticContact NE2-CD1 3.77Å; H48-F110 AromaticContact NE2-CD2 3.83Å; H48-F110 AromaticContact NE2-CG 3.66Å; L50-F110 HydrophobicContact CD2-CB 4.03Å; L50-F110 HydrophobicContact CD2-CD1 3.88Å; L50-F110 HydrophobicContact CD2-CG 4.33Å; F74-F110 HydrophobicContact CD1-CE1 4.15Å; F74-F110 AromaticContact CE1-CD1 3.9Å; F74-F110 HydrophobicContact CE1-CD1 3.9Å; F74-F110 AromaticContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE2-CE1 4.47Å; F74-F110 HydrophobicContact CZ-CD1 4.38Å; F74-F110 AromaticContact CZ-CE1 3.82Å; F74-F110 HydrophobicContact CZ-CE1 3.82Å; F95-F110 AromaticContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CE1-CD2 4.23Å; F95-F110 HydrophobicContact CE1-CE2 4.42Å; R96-F110 CarbonylContact O-C 3.48Å; R96-F110 WeakPolarHBondContact O-CA 3.27Å; Y97-F110 HydrophobicContact CD1-CB 4.12Å; Y97-F110 HydrophobicContact CE1-CB 4.42Å; F110-Y122 HydrophobicContact CD2-CD2 4.38Å; F110-Y122 HydrophobicContact CE1-CD2 4.15Å; F110-Y122 HydrophobicContact CE1-CG 4.08Å; F110-Y122 AromaticContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CE2 4.32Å; F110-Y122 HydrophobicContact CE2-CG 4.47Å; F110-Y122 AromaticContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CE2 4.31Å; F110-Y122 AromaticContact CZ-CG 3.94Å; F110-Y122 HydrophobicContact CZ-CG 3.94Å; F110-Y122 PolarHBondContact N-O 2.69Å; F110-Y122 PolarHBondContact O-N 2.95Å
111H95.9Very high93Very high14 Ų1449.2 Ų49.27%0.06528%0.283CS..EExtended strand (participates in β ladder)trans-134.1127.4167.5165.463.4000108F95 R96 L98 T118 A120 Y121F95-H111 WeakPolarHBondContact CA-O 3.31Å; R96-H111 PolarHBondContact N-O 3.45Å; R96-H111 PolarHBondContact O-N 3.44Å; L98-H111 HydrophobicContact CD1-CB 4.28Å; H111-T118 PolarHBondContact CE1-O 2.82Å; H111-A120 PolarHBondContact ND1-O 2.69Å; H111-Y121 HydrophobicContact CB-CD1 3.67Å; H111-Y121 HydrophobicContact CB-CE1 3.97Å; H111-Y121 AromaticContact CG-CD1 3.8Å; H111-Y121 AromaticContact CG-CE1 3.63Å; H111-Y121 AromaticContact ND1-CD1 3.92Å; H111-Y121 AromaticContact ND1-CE1 3.71Å
112D94.4Very high93.1Very high15 Ų1548.4 Ų48.48%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-90.7123.3173.4-165.4-31.3000109.3T94 F95 Q114 E115T94-D112 WeakPolarHBondContact CB-OD1 3.41Å; T94-D112 PolarHBondContact OG1-OD1 2.93Å; F95-D112 HydrophobicContact CD1-CB 4.01Å; F95-D112 HydrophobicContact CE1-CB 3.85Å; F95-D112 WeakPolarHBondContact CE1-OD2 3.08Å; D112-Q114 PolarHBondContact OD1-N 2.82Å; D112-E115 WeakPolarHBondContact CB-O 3.31Å; D112-E115 PolarHBondContact OD1-N 2.95Å
113T92.4Very high93.2Very high55 Ų5543.3 Ų43.334%0.33724%0.243SC..SBendtrans-86.7-8.4-17859.20000113.2T94 R96T94-T113 WeakPolarHBondContact O-CB 3.34Å; T94-T113 PolarHBondContact O-N 2.78Å; T94-T113 PolarHBondContact O-OG1 3.15Å; R96-T113 HydrophobicContact CG-CG2 3.96Å
114Q90.6Very high93.3Very high150 Ų15041.2 Ų41.270%0.70123%0.229SC*.SBendtrans-120.5-39.4-177.8-63.6-167.710.300113.2T94 D112T94-Q114 HydrophobicContact CG2-CB 3.96Å; T94-Q114 HydrophobicContact CG2-CG 3.73Å; D112-Q114 PolarHBondContact OD1-N 2.82Å
115E86.7Confident93.3Very high146 Ų14636.4 Ų36.468%0.68221%0.207SC*.SBendtrans-105.5134.5-178.4-58.5-170.4-178.800113.2D112D112-E115 WeakPolarHBondContact CB-O 3.31Å; D112-E115 PolarHBondContact OD1-N 2.95Å
116G83.4Confident93.3Very high62 Ų6240.2 Ų40.264%0.63923%0.23SC*.SBendtrans88.4-168177.500000114.3T118G116-T118 PolarHBondContact O-N 3.26Å
117P88.6Confident93.4Very high68 Ų6840.4 Ų40.444%0.44223%0.231SC..  trans-65.2129.2177.2-17.130.4000110.6N119 A120P117-N119 WeakPolarHBondContact CB-OD1 2.9Å; P117-N119 PolarHBondContact O-N 3.13Å; P117-A120 HydrophobicContact CB-CB 4.02Å; P117-A120 HydrophobicContact CG-CB 4.19Å; P117-A120 WeakPolarHBondContact O-CB 3.27Å; P117-A120 PolarHBondContact O-N 2.88Å
118T88.1Confident93.4Very high115 Ų11540.8 Ų40.871%0.70623%0.233SC*.THydrogen-bonded Turntrans-60.9-14.5-177.653.40000114.1H111 G116H111-T118 PolarHBondContact CE1-O 2.82Å; G116-T118 PolarHBondContact O-N 3.26Å
119N92.7Very high93.3Very high71 Ų7143 Ų4338%0.3825%0.247SC..THydrogen-bonded Turntrans-110.89.5179.962.4-35.2000113N78 P117 Y121N78-N119 CarbonylContact C-O 3.03Å; N78-N119 WeakPolarHBondContact CA-O 3.46Å; N78-N119 WeakPolarHBondContact O-CB 3.31Å; N78-N119 PolarHBondContact O-ND2 2.85Å; P117-N119 WeakPolarHBondContact CB-OD1 2.9Å; P117-N119 PolarHBondContact O-N 3.13Å; N119-Y121 WeakPolarHBondContact O-CD2 3.1Å; N119-Y121 WeakPolarHBondContact O-CE2 3.44Å
120A95.3Very high93.2Very high3 Ų343.5 Ų43.53%0.02525%0.25CS..  trans-86126176.400000111.3H111 P117 Y122H111-A120 PolarHBondContact ND1-O 2.69Å; P117-A120 HydrophobicContact CB-CB 4.02Å; P117-A120 HydrophobicContact CG-CB 4.19Å; P117-A120 WeakPolarHBondContact O-CB 3.27Å; P117-A120 PolarHBondContact O-N 2.88Å; A120-Y122 HydrophobicContact CB-CE2 4.01Å
121Y97.4Very high92.5Very high14 Ų1447.1 Ų47.16%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-124131.3177.1-54.8-87.2000108.8C76 V77 M80 F83 F88 H111 N119C76-Y121 CarbonylContact C-O 3.58Å; C76-Y121 WeakPolarHBondContact CA-O 3.08Å; V77-Y121 PolarHBondContact N-O 2.95Å; V77-Y121 WeakPolarHBondContact O-CD2 3.35Å; V77-Y121 PolarHBondContact O-N 2.91Å; M80-Y121 HydrophobicContact CB-CE1 4.45Å; M80-Y121 HydrophobicContact CB-CE2 3.84Å; M80-Y121 WeakPolarHBondContact CE-OH 3.41Å; F83-Y121 HydrophobicContact CE2-CD1 4.29Å; F83-Y121 HydrophobicContact CE2-CD2 4.1Å; F83-Y121 AromaticContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CZ-CG 4.26Å; F88-Y121 AromaticContact CE1-CD1 3.8Å; F88-Y121 HydrophobicContact CE1-CD1 3.8Å; F88-Y121 AromaticContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CZ-CD1 4.14Å; F88-Y121 HydrophobicContact CZ-CE1 4.14Å; H111-Y121 HydrophobicContact CB-CD1 3.67Å; H111-Y121 HydrophobicContact CB-CE1 3.97Å; H111-Y121 AromaticContact CG-CD1 3.8Å; H111-Y121 AromaticContact CG-CE1 3.63Å; H111-Y121 AromaticContact ND1-CD1 3.92Å; H111-Y121 AromaticContact ND1-CE1 3.71Å; N119-Y121 WeakPolarHBondContact O-CD2 3.1Å; N119-Y121 WeakPolarHBondContact O-CE2 3.44Å
122Y97.3Very high91.3Very high32 Ų3251.3 Ų51.313%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-115.7120.1-174.9-61.7-83000110.3A44 K46 F74 W75 C76 G109 F110 A120A44-Y122 HydrophobicContact CB-CD1 4.39Å; A44-Y122 HydrophobicContact CB-CE1 4.15Å; K46-Y122 HydrophobicContact CD-CD1 4.49Å; K46-Y122 HydrophobicContact CD-CE1 4.04Å; K46-Y122 HydrophobicContact CD-CE2 4.22Å; F74-Y122 HydrophobicContact CB-CD1 4.08Å; W75-Y122 WeakPolarHBondContact O-CA 3.37Å; C76-Y122 HydrophobicContact CB-CD1 4.01Å; C76-Y122 HydrophobicContact CB-CE1 3.97Å; G109-Y122 CarbonylContact C-O 3.52Å; G109-Y122 WeakPolarHBondContact CA-O 3.25Å; F110-Y122 HydrophobicContact CD2-CD2 4.38Å; F110-Y122 HydrophobicContact CE1-CD2 4.15Å; F110-Y122 HydrophobicContact CE1-CG 4.08Å; F110-Y122 AromaticContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CE2 4.32Å; F110-Y122 HydrophobicContact CE2-CG 4.47Å; F110-Y122 AromaticContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CE2 4.31Å; F110-Y122 AromaticContact CZ-CG 3.94Å; F110-Y122 HydrophobicContact CZ-CG 3.94Å; F110-Y122 PolarHBondContact N-O 2.69Å; F110-Y122 PolarHBondContact O-N 2.95Å; A120-Y122 HydrophobicContact CB-CE2 4.01Å
123V97.2Very high89.4Confident0 Ų057 Ų570%032%0.317CS..EExtended strand (participates in β ladder)trans-106.9120.6176.3-178.10000109.2I26 L36 F74 W75 F83 L98 L125 T128I26-V123 HydrophobicContact CG2-CG1 4.31Å; L36-V123 HydrophobicContact CD1-CB 4.48Å; L36-V123 HydrophobicContact CD1-CG2 3.89Å; F74-V123 CarbonylContact C-O 3.49Å; F74-V123 VanDerWaalsContact CA-O 3.25Å; F74-V123 WeakPolarHBondContact CA-O 3.5Å; W75-V123 HydrophobicContact CB-CB 4.25Å; W75-V123 PolarHBondContact N-O 2.85Å; W75-V123 PolarHBondContact O-N 2.83Å; F83-V123 HydrophobicContact CE1-CG2 3.64Å; F83-V123 HydrophobicContact CZ-CG2 4.05Å; L98-V123 HydrophobicContact CD2-CG2 4Å; V123-L125 PolarHBondContact O-N 3.17Å; V123-T128 HydrophobicContact CG1-CG2 3.53Å
124A96.7Very high87.2Confident0 Ų059.6 Ų59.60%034%0.338CS..EExtended strand (participates in β ladder)trans-69.8129.8-177.200000111.3L50 T71 F74 L108 T126 R127 T128L50-A124 HydrophobicContact CD1-CB 3.71Å; T71-A124 HydrophobicContact CG2-CB 3.8Å; F74-A124 HydrophobicContact CD1-CB 4.02Å; F74-A124 HydrophobicContact CE1-CB 3.77Å; L108-A124 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact C-N 3.31Å; A124-T126 PolarHBondContact O-N 3.17Å; A124-R127 HydrophobicContact CB-CB 3.82Å; A124-R127 HydrophobicContact CB-CG 3.58Å; A124-R127 PolarHBondContact O-N 3.18Å; A124-T128 PolarHBondContact O-N 2.99Å; A124-T128 PolarHBondContact O-OG1 3.17Å; A124-T128 VanDerWaalsContact O-OG1 3.06Å
125L94.5Very high85Confident4 Ų457.4 Ų57.42%0.02134%0.34CS..G310 helixtrans-61.2-43.2177.6-88.769.9000110.8N13 V14 L43 E73 W75 V123 R127 T128N13-L125 WeakPolarHBondContact O-CD2 3.46Å; V14-L125 HydrophobicContact CB-CD2 4.23Å; V14-L125 HydrophobicContact CG1-CD2 4.5Å; V14-L125 HydrophobicContact CG2-CD2 3.67Å; L43-L125 HydrophobicContact CD1-CD1 3.73Å; L43-L125 HydrophobicContact CD1-CD2 3.78Å; L43-L125 HydrophobicContact CD1-CG 4.44Å; E73-L125 HydrophobicContact CB-CB 4.38Å; E73-L125 HydrophobicContact CB-CD1 4.33Å; E73-L125 HydrophobicContact CB-CD2 4.22Å; E73-L125 PolarHBondContact O-N 2.72Å; E73-L125 VanDerWaalsContact O-N 3.12Å; W75-L125 HydrophobicContact CB-CD1 4.45Å; W75-L125 VanDerWaalsContact CD1-CD1 3.41Å; W75-L125 HydrophobicContact CD2-CD1 4.12Å; W75-L125 HydrophobicContact CG-CD1 3.78Å; V123-L125 PolarHBondContact O-N 3.17Å; L125-R127 PolarHBondContact O-N 3.04Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 2.92Å
126T92.6Very high82.4Confident94 Ų9456.3 Ų56.358%0.57735%0.347SS*.G310 helixtrans-67-14.7179.257.20000114.2A124A124-T126 VanDerWaalsContact C-N 3.31Å; A124-T126 PolarHBondContact O-N 3.17Å
127R93.9Very high80.2Confident4 Ų462.8 Ų62.82%0.01536%0.357CS..G310 helixtrans-104.35.4-178.8-58.4-63.9-169.286.80.6113P29 L50 P51 F53 E69 P107 L108 A124 L125P29-R127 VanDerWaalsContact CD-O 3.32Å; P29-R127 WeakPolarHBondContact CD-O 3.48Å; P29-R127 WeakPolarHBondContact CG-O 3.41Å; L50-R127 HydrophobicContact CD1-CG 4.48Å; P51-R127 PolarHBondContact O-NH1 3.27Å; P51-R127 PolarHBondContact O-NH2 3.35Å; F53-R127 HydrophobicContact CE1-CB 4.21Å; F53-R127 HydrophobicContact CE2-CB 4.48Å; F53-R127 HydrophobicContact CZ-CB 3.72Å; F53-R127 HydrophobicContact CZ-CG 4.11Å; E69-R127 IonicContact OE1-CZ 2.76Å; E69-R127 IonicContact OE1-NE 3.55Å; E69-R127 PolarHBondContact OE1-NE 3.01Å; E69-R127 IonicContact OE1-NH2 2.95Å; E69-R127 PolarHBondContact OE1-NH2 2.84Å; E69-R127 IonicContact OE2-NH2 3.3Å; P107-R127 PolarHBondContact O-NH1 2.98Å; L108-R127 VanDerWaalsContact CD2-O 3.28Å; L108-R127 WeakPolarHBondContact CD2-O 2.94Å; A124-R127 HydrophobicContact CB-CB 3.82Å; A124-R127 HydrophobicContact CB-CG 3.58Å; A124-R127 PolarHBondContact O-N 3.18Å; L125-R127 PolarHBondContact O-N 3.04Å
128T95Very high77.6Confident8 Ų873 Ų735%0.04940%0.395CS..  trans-134.3171.3-178.654.90000111I26 L27 L108 V123 A124 L125I26-T128 VanDerWaalsContact CG2-CB 3.42Å; I26-T128 HydrophobicContact CG2-CG2 3.66Å; I26-T128 WeakPolarHBondContact CG2-OG1 3.4Å; L27-T128 WeakPolarHBondContact O-CA 3.18Å; L27-T128 WeakPolarHBondContact O-CB 3.49Å; L108-T128 HydrophobicContact CD2-CG2 4.38Å; V123-T128 HydrophobicContact CG1-CG2 3.53Å; A124-T128 PolarHBondContact O-N 2.99Å; A124-T128 PolarHBondContact O-OG1 3.17Å; A124-T128 VanDerWaalsContact O-OG1 3.06Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 2.92Å
129T94.4Very high77.1Confident48 Ų4870.9 Ų70.929%0.29438%0.379SS..EExtended strand (participates in β ladder)trans-130.9165.3172.8-1710000109.8N13 L27N13-T129 VanDerWaalsContact OD1-C 3.27Å; N13-T129 VanDerWaalsContact OD1-CA 3.27Å; N13-T129 WeakPolarHBondContact OD1-CA 3.48Å; L27-T129 HydrophobicContact CB-CG2 3.82Å; L27-T129 HydrophobicContact CD1-CG2 4.43Å; L27-T129 PolarHBondContact N-O 3.09Å; L27-T129 PolarHBondContact O-N 3.18Å
130T93.2Very high76.2Confident10 Ų1070.9 Ų70.96%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-115155177.947.60000111.4A12 N13 F24 N25 I26 V132A12-T130 PolarHBondContact O-OG1 2.87Å; N13-T130 WeakPolarHBondContact OD1-CG2 3.17Å; N13-T130 PolarHBondContact OD1-N 3.26Å; N13-T130 PolarHBondContact OD1-OG1 3.49Å; F24-T130 HydrophobicContact CB-CG2 3.95Å; F24-T130 HydrophobicContact CD2-CG2 4.39Å; N25-T130 WeakPolarHBondContact O-CA 3.37Å; I26-T130 HydrophobicContact CD1-CG2 3.81Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 2.89Å
131E83Confident75.2Confident77 Ų7774.7 Ų74.736%0.3640%0.399SS..  trans-64.996.2164.2-69.7178.1-178.700109.1F24 N25 L27 K133F24-E131 WeakPolarHBondContact CD1-O 3.48Å; N25-E131 HydrophobicContact CB-CG 4.19Å; N25-E131 PolarHBondContact ND2-OE1 3.14Å; N25-E131 PolarHBondContact ND2-OE2 3.3Å; N25-E131 VanDerWaalsContact ND2-OE2 3.11Å; N25-E131 PolarHBondContact O-N 2.8Å; L27-E131 HydrophobicContact CD1-CG 3.8Å; L27-E131 HydrophobicContact CD2-CG 4.32Å; L27-E131 HydrophobicContact CG-CG 4.35Å; E131-K133 PolarHBondContact O-N 3.41Å
132V69.7Low73.9Confident102 Ų10278.2 Ų78.262%0.61842%0.419SS*.  trans-67.3101.9170-174.50000107.3A12 T130 S134A12-V132 HydrophobicContact CB-CG2 4.14Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 2.89Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.99Å
133K55.7Low72.4Confident133 Ų13381.1 Ų81.158%0.57844%0.437SS*.  trans-68.2101.2163.9-71.4-168.6178.1-173.50106.7F24 E131 S135F24-K133 HydrophobicContact CE1-CB 4.48Å; F24-K133 HydrophobicContact CE1-CG 4.39Å; E131-K133 PolarHBondContact O-N 3.41Å; K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 PolarHBondContact O-OG 3.32Å
134S45.1Very low70.8Confident110 Ų11086.5 Ų86.577%0.76947%0.466SS*.  trans-56.282.7162.934.70000108.6V132 C136V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.99Å; S134-C136 PolarHBondContact O-N 3.47Å
135S44.3Very low68.9Low105 Ų10592.7 Ų92.773%0.73450%0.5SS*.  trans-83.253.5172.9-54.90000108.2K133 K137K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 PolarHBondContact O-OG 3.32Å; S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.28Å
136C32.7Very low66.9Low123 Ų12399.5 Ų99.583%0.83154%0.536SS*.  trans-9082.6158.7-148.80000105.5S134S134-C136 PolarHBondContact O-N 3.47Å
137K37.9Very low64.8Low197 Ų197100 Ų10086%0.85753%0.533SS*.  trans-66.6133.7162.8-80.3-179.6175.2178.60106.7S135S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.28Å
138K32.6Very low62.1Low283 Ų283108.7 Ų108.7100%1.2358%0.58SS**  trans-38.20176.6-67.1179.6177.7179.70114

Retrieved 138 of 138 residues in 49.6 ms (Link to these results)