A0A096MPR7_PAPAN Loading...

Protein lin-28 homolog A

AlphaFold DB , UniProt , Accession A0A096MPR7, Species PAPAN (Papio anubis, Olive baboon), Gene LIN28A, Length 209 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
1M46Very low46.4Very low252 Ų252132.1 Ų132.1100%1.24180%0.798SS**  01160-63.2157.5164.100107
2G43.3Very low45.4Very low74 Ų74127.3 Ų127.376%0.76380%0.796SS**  cis-165.9128.8-12.300000107.2
3S48.9Very low44.5Very low123 Ų123127.5 Ų127.586%0.8680%0.802SS**  trans-95.5132.3-171.4-53.30000112.4
4V51.2Low44Very low140 Ų140125.5 Ų125.585%0.84880%0.804SS**  trans-160.6113.6157.2-102.40000105
5S47.4Very low43.5Very low94 Ų94131.7 Ų131.766%0.65781%0.813SS**  cis76.1136.329.4-147.70000114.9
6N48.8Very low42.8Very low122 Ų122129.1 Ų129.165%0.65281%0.809SS**  trans73.4146.4167.1-63.829.5000115.9
7Q57Low42.4Very low139 Ų139127.2 Ų127.265%0.6581%0.808SS**  cis-164.7172.6-3.3-109.8167.9157.500107.6
8Q50.7Low42Very low140 Ų140129.7 Ų129.765%0.65481%0.808SS**  cis-148.7161.66.9-155.710031.600111.9
9F34.9Very low41.7Very low195 Ų195132.2 Ų132.286%0.85581%0.809SS**  trans-56.6168.9152.3-55-93.7000112.7
10A44.5Very low42Very low94 Ų94130.2 Ų130.278%0.77781%0.807SS**  cis-138.2172.11400000109.9
11G38Very low42.1Very low80 Ų80130 Ų13083%0.82581%0.807SS**  cis77.612639.200000110.9
12G33.8Very low42.4Very low74 Ų74126.6 Ų126.676%0.76379%0.788SS**  cis171.4146.6-4.100000111.6
13C34.4Very low42.4Very low131 Ų131132.1 Ų132.189%0.88579%0.794SS**  trans29.3112157.4-57.30000122.4
14A37.5Very low42.5Very low99 Ų99130 Ų13082%0.81878%0.784SS**  43.4128124.500000122.6
15K36Very low42.5Very low218 Ų218129 Ų12995%0.94878%0.781SS**  -157.6180114.4-118.9-168.3175-166.50113.4
16A31.8Very low42.9Very low91 Ų91133.5 Ų133.575%0.75279%0.791SS**  trans-124.5175.2-153.600000115.1
17A37.3Very low42.9Very low96 Ų96135.3 Ų135.379%0.79380%0.801SS**  trans70.7147.6175.200000114.9
18E35.2Very low42.5Very low173 Ų173132.9 Ų132.981%0.80881%0.805SS**  cis-149.2-174.57.6-160.5165.395.700110.5
19E36.4Very low42.3Very low177 Ų177131 Ų13183%0.82781%0.813SS**  trans84.6115.2163.9-52.9-153.7107.500119
20A46.1Very low43Very low92 Ų92133.5 Ų133.576%0.7682%0.817SS**  trans-83.4157160.600000109.8
21P45.3Very low43.3Very low126 Ų126133.6 Ų133.682%0.81882%0.818SS**  -119171.1108.6-6.625.9000113.6
22E52.2Low44.1Very low180 Ų180134.3 Ų134.384%0.84182%0.816SS**  trans-51.8137.5169.9-57.2172.788.500112.4
23E43.3Very low45.1Very low190 Ų190138.1 Ų138.189%0.88882%0.819SS**  trans-133118.7131.2-71.6-154.8155.500109.6
24A51.3Low46.2Very low79 Ų79139.9 Ų139.965%0.65381%0.814SS**  trans-78.6158177.900000110.6E26A24-E26 PolarHBondContact O-N 3.24Å
25P49.9Very low47.3Very low120 Ų120138.8 Ų138.878%0.77980%0.799SS**  trans-68.3119.3-161.825.9-35.4000114.3D27P25-D27 VanDerWaalsContact C-N 3.25Å; P25-D27 PolarHBondContact O-N 3.07Å; P25-D27 VanDerWaalsContact O-N 3.07Å
26E56Low49.1Very low187 Ų187135.5 Ų135.587%0.87479%0.787SS**SBendtrans-80.236.9-179.360.7172.9151.800115.3A24A24-E26 PolarHBondContact O-N 3.24Å
27D49.1Very low51.6Low160 Ų160136.4 Ų136.486%0.85678%0.778SS**  trans-13644.3168.8-153.6-106000112.9P25P25-D27 VanDerWaalsContact C-N 3.25Å; P25-D27 PolarHBondContact O-N 3.07Å; P25-D27 VanDerWaalsContact O-N 3.07Å
28A47.9Very low54.1Low88 Ų88133.8 Ų133.873%0.72775%0.751SS**  trans-1094173.700000113.8
29A48.2Very low56.9Low101 Ų101130 Ų13084%0.83573%0.733SS**SBendtrans-100.113.4-166.600000115.6
30R49.2Very low59.7Low247 Ų247121.6 Ų121.693%0.93269%0.694SS**SBendtrans-130.439.6-178.3-160.1169.2156.5-168.7-8.9114.6
31A51.3Low62Low96 Ų96118.8 Ų118.879%0.79367%0.671SS**  trans-123.329.4171.800000112.8
32A53.8Low64.4Low95 Ų95113.1 Ų113.179%0.78564%0.635SS**  trans-12840.3-165.900000115.2
33D55.6Low66.5Low154 Ų154108 Ų10882%0.82461%0.613SS**  trans-152.337.5154.8-160.2-133.1000112.5P35D33-P35 WeakPolarHBondContact O-CD 3.33Å
34E57.3Low69.1Low169 Ų16999 Ų9979%0.7957%0.571SS**  trans-79.2116.6161.1-165.7-176.8108.700107.8Q36E34-Q36 PolarHBondContact O-N 3.45Å
35P59.9Low71.2Confident75 Ų7599.5 Ų99.549%0.48756%0.558SS.*  trans-68.1103.7-179.727.3-33.6000108.6D33 L37D33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-L37 WeakPolarHBondContact O-CG 3.33Å; P35-L37 PolarHBondContact O-N 2.75Å
36Q73.4Confident73.4Confident150 Ų15098.6 Ų98.670%0.70154%0.539SS*.  trans-52.196.7-177.4-68.7-175.6-15.200111.5E34 L38E34-Q36 PolarHBondContact O-N 3.45Å; Q36-L38 PolarHBondContact O-N 2.92Å
37L83.9Confident75.4Confident110 Ų11090.8 Ų90.858%0.57650%0.503SS*.  trans-79.4107.1-179.5-65.6-173.6000108.4P35 I107P35-L37 WeakPolarHBondContact O-CG 3.33Å; P35-L37 PolarHBondContact O-N 2.75Å; L37-I107 HydrophobicContact CD2-CD1 3.26Å
38L91Very high77.5Confident41 Ų4185.9 Ų85.922%0.21548%0.476CS..EExtended strand (participates in β ladder)trans-101.3137.6-178.8-66.4156.6000108.9Q36 R61 T96 F97Q36-L38 PolarHBondContact O-N 2.92Å; L38-R61 VanDerWaalsContact CD1-NH2 3.31Å; L38-T96 CarbonylContact O-C 3.54Å; L38-T96 VanDerWaalsContact O-CA 3.3Å; L38-T96 WeakPolarHBondContact O-CA 3.32Å; L38-F97 HydrophobicContact CB-CD1 4.03Å; L38-F97 HydrophobicContact CB-CD2 4.15Å; L38-F97 HydrophobicContact CB-CE1 3.6Å; L38-F97 HydrophobicContact CB-CE2 3.74Å; L38-F97 HydrophobicContact CB-CG 4.3Å; L38-F97 HydrophobicContact CB-CZ 3.45Å; L38-F97 VanDerWaalsContact CB-CZ 3.45Å; L38-F97 HydrophobicContact CD1-CD2 4.37Å; L38-F97 HydrophobicContact CD1-CE2 3.69Å; L38-F97 HydrophobicContact CD1-CZ 4.04Å; L38-F97 HydrophobicContact CG-CE2 4.38Å; L38-F97 HydrophobicContact CG-CZ 4.35Å; L38-F97 PolarHBondContact N-O 3.48Å; L38-F97 VanDerWaalsContact O-CD1 3.25Å; L38-F97 WeakPolarHBondContact O-CD1 3.26Å; L38-F97 PolarHBondContact O-N 2.83Å
39H93.7Very high79.6Confident92 Ų9283 Ų8343%0.42645%0.45SS..EExtended strand (participates in β ladder)trans-96.2139.2173.8-16183000110.5A62H39-A62 PolarHBondContact O-N 2.95Å
40G94.5Very high81.6Confident1 Ų188.5 Ų88.51%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-145.1156178.800000111.9A60 F95G40-A60 CarbonylContact C-O 3.59Å; G40-A60 VanDerWaalsContact CA-O 3.24Å; G40-A60 WeakPolarHBondContact CA-O 3.21Å; G40-F95 PolarHBondContact N-O 3.32Å; G40-F95 PolarHBondContact O-N 3Å
41A95.8Very high83.7Confident33 Ų3381.9 Ų81.927%0.27343%0.43SS..EExtended strand (participates in β ladder)trans-127.5154.1172.800000109.5T59 A60 V93 E94A41-T59 PolarHBondContact O-N 3.39Å; A41-A60 HydrophobicContact CB-CB 4.45Å; A41-A60 PolarHBondContact N-O 3.29Å; A41-A60 PolarHBondContact O-N 3.25Å; A41-V93 WeakPolarHBondContact CA-O 3.36Å; A41-E94 HydrophobicContact CB-CG 4.33Å
42G95.6Very high85.8Confident7 Ų777.5 Ų77.57%0.07239%0.394CS..EExtended strand (participates in β ladder)trans175.5-157.3-175.100000113.2S57 V93G42-S57 VanDerWaalsContact CA-O 3.22Å; G42-S57 WeakPolarHBondContact CA-O 3.35Å; G42-V93 PolarHBondContact N-O 3.28Å; G42-V93 PolarHBondContact O-N 3.08Å
43I96.5Very high87.8Confident73 Ų7375.9 Ų75.937%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-126151.2178.459.5174.5000111.1K45 L56 S57 E91I43-K45 PolarHBondContact O-N 2.98Å; I43-K45 VanDerWaalsContact O-N 3.16Å; I43-L56 CarbonylContact O-C 3.58Å; I43-L56 WeakPolarHBondContact O-CA 3.2Å; I43-S57 PolarHBondContact N-O 3.19Å; I43-S57 PolarHBondContact O-N 3.4Å; I43-E91 CarbonylContact C-O 3.52Å; I43-E91 VanDerWaalsContact CA-O 3.26Å; I43-E91 WeakPolarHBondContact CA-O 3.36Å
44C97.1Very high89.7Confident1 Ų168.5 Ų68.51%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-68.1111.1169.2175.70000110.2L56 L87 K88 G90 E91C44-L56 HydrophobicContact CB-CD2 4.11Å; C44-L87 HydrophobicContact CB-CB 4.05Å; C44-L87 HydrophobicContact CB-CD1 4.11Å; C44-L87 VanDerWaalsContact SG-CB 3.56Å; C44-K88 WeakPolarHBondContact CB-O 3.49Å; C44-G90 PolarHBondContact O-N 2.86Å; C44-E91 HydrophobicContact CB-CB 4.32Å; C44-E91 PolarHBondContact N-O 3.02Å
45K96.3Very high91.7Very high90 Ų9063.3 Ų63.339%0.39131%0.305SS..EExtended strand (participates in β ladder)trans-70.8-44-179.9-168.9179.5-174.61690111.5I43 F55 D71I43-K45 PolarHBondContact O-N 2.98Å; I43-K45 VanDerWaalsContact O-N 3.16Å; K45-F55 WeakPolarHBondContact CB-O 3.23Å; K45-F55 PolarHBondContact N-O 3.39Å; K45-D71 VanDerWaalsContact CD-OD1 3.27Å; K45-D71 WeakPolarHBondContact CD-OD1 3.42Å; K45-D71 IonicContact NZ-OD1 3.81Å; K45-D71 PolarHBondContact NZ-OD1 2.96Å; K45-D71 IonicContact NZ-OD2 2.7Å; K45-D71 PolarHBondContact NZ-OD2 2.88Å
46W95.8Very high93.4Very high100 Ų10059.7 Ų59.738%0.37928%0.282SS..EExtended strand (participates in β ladder)trans-166.3153.3169.557.8-95000110.2N48 F53 G54 F55W46-N48 HydrophobicContact CZ3-CB 4.23Å; W46-F53 HydrophobicContact CH2-CD2 4.16Å; W46-F53 AromaticContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CZ3-CD2 4.18Å; W46-F53 HydrophobicContact CZ3-CE2 4.19Å; W46-G54 CarbonylContact O-C 3.52Å; W46-G54 WeakPolarHBondContact O-CA 3.49Å; W46-F55 AromaticContact CE2-CD2 3.71Å; W46-F55 AromaticContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CE2 4.07Å; W46-F55 AromaticContact CZ2-CD2 3.26Å; W46-F55 HydrophobicContact CZ2-CD2 3.26Å; W46-F55 AromaticContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CG 4.33Å; W46-F55 PolarHBondContact N-O 2.97Å; W46-F55 PolarHBondContact O-N 2.84Å
47F96.5Very high94.6Very high23 Ų2353.3 Ų53.310%0.10125%0.254CS..EExtended strand (participates in β ladder)trans-139.8119.9175.7-167.9-89.2000111.8V49 V74 Q76 L79 S86 L87F47-V49 HydrophobicContact CD1-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.14Å; F47-V49 VanDerWaalsContact O-N 3.14Å; F47-V74 HydrophobicContact CD2-CG1 4.31Å; F47-Q76 HydrophobicContact CZ-CB 4.16Å; F47-L79 HydrophobicContact CE2-CD1 4Å; F47-L79 HydrophobicContact CZ-CD1 4.01Å; F47-S86 VanDerWaalsContact CE1-CA 3.48Å; F47-L87 HydrophobicContact CB-CB 4.09Å; F47-L87 HydrophobicContact CD2-CB 4.17Å; F47-L87 HydrophobicContact CD2-CD1 4.38Å; F47-L87 HydrophobicContact CD2-CG 4.4Å; F47-L87 HydrophobicContact CG-CB 4.13Å
48N94.8Very high95.2Very high57 Ų5748.2 Ų48.231%0.30523%0.227SC..EExtended strand (participates in β ladder)trans-82.694.6174.7-168-49.7000110.2W46 R50 M51 G52 F53W46-N48 HydrophobicContact CZ3-CB 4.23Å; N48-R50 PolarHBondContact O-N 2.89Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 PolarHBondContact OD1-N 2.85Å; N48-R50 VanDerWaalsContact OD1-N 3.1Å; N48-M51 HydrophobicContact CB-CB 4.27Å; N48-M51 HydrophobicContact CB-CE 4.25Å; N48-M51 WeakPolarHBondContact ND2-CE 3.16Å; N48-M51 PolarHBondContact O-N 2.94Å; N48-M51 VanDerWaalsContact O-N 3.11Å; N48-M51 PolarHBondContact OD1-N 3.07Å; N48-G52 PolarHBondContact O-N 3.4Å; N48-F53 PolarHBondContact N-O 2.86Å
49V92.3Very high95.4Very high28 Ų2849.3 Ų49.317%0.1724%0.235CC..THydrogen-bonded Turntrans-57.7-27.6-178.1-163.80000113.5F47 F84 S120 P124F47-V49 HydrophobicContact CD1-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.14Å; F47-V49 VanDerWaalsContact O-N 3.14Å; V49-F84 HydrophobicContact CG1-CE1 3.43Å; V49-F84 VanDerWaalsContact CG1-CE1 3.43Å; V49-F84 HydrophobicContact CG1-CZ 3.62Å; V49-S120 WeakPolarHBondContact CG1-OG 3.45Å; V49-S120 VanDerWaalsContact CG2-OG 3.32Å; V49-S120 WeakPolarHBondContact CG2-OG 3.39Å; V49-P124 HydrophobicContact CG1-CG 4.27Å
50R89.1Confident95.3Very high217 Ų21746 Ų4682%0.81922%0.224SC*.THydrogen-bonded Turntrans-80.3-34.9178.5177.9177.2170.9-171.9-6.7112.6N48N48-R50 PolarHBondContact O-N 2.89Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 PolarHBondContact OD1-N 2.85Å; N48-R50 VanDerWaalsContact OD1-N 3.1Å
51M93.2Very high95.1Very high108 Ų10851.2 Ų51.253%0.53224%0.243SC..THydrogen-bonded Turntrans-92.7-14.2179.4-59.4-158.9-73.600113.2N48 F53N48-M51 HydrophobicContact CB-CB 4.27Å; N48-M51 HydrophobicContact CB-CE 4.25Å; N48-M51 WeakPolarHBondContact ND2-CE 3.16Å; N48-M51 PolarHBondContact O-N 2.94Å; N48-M51 VanDerWaalsContact O-N 3.11Å; N48-M51 PolarHBondContact OD1-N 3.07Å; M51-F53 HydrophobicContact CB-CD1 3.64Å; M51-F53 HydrophobicContact CB-CE1 3.44Å; M51-F53 VanDerWaalsContact CB-CE1 3.44Å; M51-F53 HydrophobicContact CB-CZ 4.23Å; M51-F53 HydrophobicContact CE-CE1 3.74Å; M51-F53 HydrophobicContact CE-CE2 4.1Å; M51-F53 HydrophobicContact CE-CZ 3.33Å; M51-F53 HydrophobicContact CG-CE1 4.22Å; M51-F53 HydrophobicContact SD-CE1 3.83Å; M51-F53 HydrophobicContact SD-CZ 3.98Å
52G94.9Very high94.7Very high4 Ų453.5 Ų53.54%0.04126%0.262CS..THydrogen-bonded Turntrans7426.1177.700000113.9N48 H75 Q76N48-G52 PolarHBondContact O-N 3.4Å; G52-H75 PolarHBondContact O-CD2 3.18Å; G52-H75 VanDerWaalsContact O-CD2 3.25Å; G52-Q76 WeakPolarHBondContact O-CB 3.47Å; G52-Q76 WeakPolarHBondContact O-CG 3.22Å; G52-Q76 PolarHBondContact O-N 3.43Å
53F96.3Very high94Very high60 Ų6056.9 Ų56.926%0.26330%0.297SS..EExtended strand (participates in β ladder)trans-145.1162.2175.969-102000112.5W46 N48 M51 F73 V74W46-F53 HydrophobicContact CH2-CD2 4.16Å; W46-F53 AromaticContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CZ3-CD2 4.18Å; W46-F53 HydrophobicContact CZ3-CE2 4.19Å; N48-F53 PolarHBondContact N-O 2.86Å; M51-F53 HydrophobicContact CB-CD1 3.64Å; M51-F53 HydrophobicContact CB-CE1 3.44Å; M51-F53 VanDerWaalsContact CB-CE1 3.44Å; M51-F53 HydrophobicContact CB-CZ 4.23Å; M51-F53 HydrophobicContact CE-CE1 3.74Å; M51-F53 HydrophobicContact CE-CE2 4.1Å; M51-F53 HydrophobicContact CE-CZ 3.33Å; M51-F53 HydrophobicContact CG-CE1 4.22Å; M51-F53 HydrophobicContact SD-CE1 3.83Å; M51-F53 HydrophobicContact SD-CZ 3.98Å; F53-F73 HydrophobicContact CB-CE2 3.89Å; F53-F73 HydrophobicContact CB-CZ 3.94Å; F53-F73 AromaticContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CG-CE2 4.15Å; F53-F73 HydrophobicContact CG-CZ 4.44Å; F53-V74 CarbonylContact C-O 3.54Å; F53-V74 VanDerWaalsContact CA-O 3.23Å; F53-V74 WeakPolarHBondContact CA-O 3.43Å; F53-V74 WeakPolarHBondContact CB-O 3.31Å
54G96.9Very high93.7Very high0 Ų058.2 Ų58.20%031%0.308CS..EExtended strand (participates in β ladder)trans-165-166.3-17800000112.3W46 V74W46-G54 CarbonylContact O-C 3.52Å; W46-G54 WeakPolarHBondContact O-CA 3.49Å; G54-V74 VanDerWaalsContact C-CG1 3.43Å; G54-V74 PolarHBondContact N-O 2.83Å; G54-V74 WeakPolarHBondContact O-CG1 3.24Å; G54-V74 PolarHBondContact O-N 3.03Å
55F97.6Very high93.4Very high59 Ų5962.1 Ų62.126%0.25934%0.341SS..EExtended strand (participates in β ladder)trans-131.8145.7172.2-77.4-101.6000111K45 W46 D71 V72 F73K45-F55 WeakPolarHBondContact CB-O 3.23Å; K45-F55 PolarHBondContact N-O 3.39Å; W46-F55 AromaticContact CE2-CD2 3.71Å; W46-F55 AromaticContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CE2 4.07Å; W46-F55 AromaticContact CZ2-CD2 3.26Å; W46-F55 HydrophobicContact CZ2-CD2 3.26Å; W46-F55 AromaticContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CG 4.33Å; W46-F55 PolarHBondContact N-O 2.97Å; W46-F55 PolarHBondContact O-N 2.84Å; F55-D71 HydrophobicContact CD1-CB 4.02Å; F55-V72 CarbonylContact C-O 3.55Å; F55-V72 WeakPolarHBondContact CA-O 3.5Å; F55-F73 HydrophobicContact CD1-CB 4.42Å; F55-F73 HydrophobicContact CD2-CD2 4.49Å; F55-F73 HydrophobicContact CE1-CB 4.02Å; F55-F73 HydrophobicContact CE1-CD2 4.4Å; F55-F73 AromaticContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CZ-CB 4.33Å; F55-F73 AromaticContact CZ-CD2 3.91Å; F55-F73 HydrophobicContact CZ-CD2 3.91Å
56L97.3Very high93.1Very high0 Ų060.4 Ų60.40%034%0.336CS..EExtended strand (participates in β ladder)trans-103139.7171.4-48.4179.4000108.2I43 C44 D71 V72 V74 L87 V93 F95 V109I43-L56 CarbonylContact O-C 3.58Å; I43-L56 WeakPolarHBondContact O-CA 3.2Å; C44-L56 HydrophobicContact CB-CD2 4.11Å; L56-D71 CarbonylContact O-C 3.49Å; L56-D71 WeakPolarHBondContact O-CA 3.15Å; L56-V72 HydrophobicContact CB-CB 4.4Å; L56-V72 PolarHBondContact N-O 2.99Å; L56-V72 PolarHBondContact O-N 3.42Å; L56-V74 HydrophobicContact CD1-CB 4.27Å; L56-V74 HydrophobicContact CD2-CB 4.31Å; L56-V74 HydrophobicContact CD2-CG1 3.74Å; L56-V74 HydrophobicContact CG-CB 4.05Å; L56-V74 HydrophobicContact CG-CG1 3.84Å; L56-L87 HydrophobicContact CD2-CD1 3.57Å; L56-V93 HydrophobicContact CD1-CG2 4.16Å; L56-V93 HydrophobicContact CD2-CG2 4.06Å; L56-F95 HydrophobicContact CB-CE1 4.18Å; L56-F95 HydrophobicContact CB-CZ 4.4Å; L56-F95 HydrophobicContact CD1-CB 4.38Å; L56-F95 HydrophobicContact CD1-CD1 3.5Å; L56-F95 VanDerWaalsContact CD1-CD1 3.5Å; L56-F95 HydrophobicContact CD1-CD2 4.39Å; L56-F95 HydrophobicContact CD1-CE1 3.76Å; L56-F95 HydrophobicContact CD1-CG 3.84Å; L56-F95 HydrophobicContact CD1-CZ 4.32Å; L56-V109 HydrophobicContact CD1-CG1 4.09Å; L56-V109 HydrophobicContact CD1-CG2 4.03Å
57S96.9Very high92.8Very high16 Ų1663.2 Ų63.211%0.11236%0.358CS..EExtended strand (participates in β ladder)trans-93.1104.4169.5-169.60000107.6G42 I43 T59 P69G42-S57 VanDerWaalsContact CA-O 3.22Å; G42-S57 WeakPolarHBondContact CA-O 3.35Å; I43-S57 PolarHBondContact N-O 3.19Å; I43-S57 PolarHBondContact O-N 3.4Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-P69 WeakPolarHBondContact OG-CB 3.45Å
58M96.3Very high92.5Very high3 Ų366.9 Ų66.92%0.01538%0.384CS..EExtended strand (participates in β ladder)trans-77.5114-179.7-173.9171.35100109.9A60 R61 L66 P69 V70 V72 F95 F97 L104M58-A60 VanDerWaalsContact CG-O 3.31Å; M58-A60 WeakPolarHBondContact CG-O 3.37Å; M58-R61 HydrophobicContact SD-CB 4.13Å; M58-L66 HydrophobicContact CE-CD1 3.78Å; M58-L66 HydrophobicContact CG-CD1 4.16Å; M58-L66 HydrophobicContact SD-CD1 4.34Å; M58-P69 VanDerWaalsContact O-CA 3.26Å; M58-P69 WeakPolarHBondContact O-CA 3.44Å; M58-P69 WeakPolarHBondContact O-CB 3.25Å; M58-V70 VanDerWaalsContact CB-O 3.26Å; M58-V70 WeakPolarHBondContact CB-O 3.43Å; M58-V70 HydrophobicContact CE-CB 3.92Å; M58-V70 HydrophobicContact CE-CG1 4.39Å; M58-V70 HydrophobicContact CE-CG2 4.49Å; M58-V70 PolarHBondContact N-O 2.77Å; M58-V70 PolarHBondContact O-N 2.89Å; M58-V70 VanDerWaalsContact O-N 3.08Å; M58-V72 HydrophobicContact CB-CG2 4.02Å; M58-V72 HydrophobicContact CE-CG2 4.14Å; M58-V72 HydrophobicContact SD-CG2 4.34Å; M58-F95 HydrophobicContact CB-CE2 4.46Å; M58-F95 HydrophobicContact CB-CZ 3.83Å; M58-F95 HydrophobicContact CG-CE2 4.26Å; M58-F95 HydrophobicContact CG-CZ 3.82Å; M58-F95 HydrophobicContact SD-CE2 4.03Å; M58-F95 HydrophobicContact SD-CZ 4.22Å; M58-F97 HydrophobicContact CE-CE1 4.27Å; M58-F97 HydrophobicContact CE-CE2 4.4Å; M58-F97 HydrophobicContact CE-CZ 3.86Å; M58-F97 HydrophobicContact SD-CD1 4.19Å; M58-F97 HydrophobicContact SD-CE1 3.42Å; M58-F97 WeakPolarHBondContact SD-CE1 3.22Å; M58-F97 HydrophobicContact SD-CZ 3.63Å; M58-L104 HydrophobicContact CE-CD1 3.91Å
59T95.5Very high92.4Very high64 Ų6467.1 Ų67.139%0.39339%0.389SS..EExtended strand (participates in β ladder)trans-101.1-16.8179.156.30000112.5A41 S57 A65 L66 P69A41-T59 PolarHBondContact O-N 3.39Å; S57-T59 PolarHBondContact O-N 2.94Å; T59-A65 WeakPolarHBondContact O-CA 3.3Å; T59-L66 PolarHBondContact O-N 3.26Å; T59-P69 HydrophobicContact CG2-CB 4.34Å
60A92.8Very high92.6Very high23 Ų2368.6 Ų68.619%0.1940%0.398CS..EExtended strand (participates in β ladder)trans-142.2145.2172.600000111.8G40 A41 M58 V64G40-A60 CarbonylContact C-O 3.59Å; G40-A60 VanDerWaalsContact CA-O 3.24Å; G40-A60 WeakPolarHBondContact CA-O 3.21Å; A41-A60 HydrophobicContact CB-CB 4.45Å; A41-A60 PolarHBondContact N-O 3.29Å; A41-A60 PolarHBondContact O-N 3.25Å; M58-A60 VanDerWaalsContact CG-O 3.31Å; M58-A60 WeakPolarHBondContact CG-O 3.37Å; A60-V64 CarbonylContact C-O 3.5Å; A60-V64 WeakPolarHBondContact CA-O 3.3Å
61R90.8Very high92.9Very high109 Ų10961.3 Ų61.341%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-131.1124.2176.5178.4-178.8179.4-163.9-3109.1L38 M58 G63 V64 L66 F97L38-R61 VanDerWaalsContact CD1-NH2 3.31Å; M58-R61 HydrophobicContact SD-CB 4.13Å; R61-G63 PolarHBondContact O-N 2.85Å; R61-G63 VanDerWaalsContact O-N 3.14Å; R61-V64 PolarHBondContact N-O 2.86Å; R61-V64 PolarHBondContact O-N 2.82Å; R61-L66 HydrophobicContact CB-CD1 3.75Å; R61-L66 HydrophobicContact CB-CG 4.26Å; R61-F97 HydrophobicContact CG-CE1 4.42Å; R61-F97 HydrophobicContact CG-CZ 4.13Å
62A86.1Confident93.1Very high81 Ų8156.2 Ų56.267%0.66935%0.35SS*.THydrogen-bonded Turntrans48.236.9-175.500000114H39 V64H39-A62 PolarHBondContact O-N 2.95Å; A62-V64 VanDerWaalsContact C-N 3.32Å; A62-V64 PolarHBondContact O-N 2.82Å
63G81.2Confident93.2Very high78 Ų7859.2 Ų59.280%0.80436%0.362SS*.THydrogen-bonded Turntrans84.1-9.1-178.100000115.8R61R61-G63 PolarHBondContact O-N 2.85Å; R61-G63 VanDerWaalsContact O-N 3.14Å
64V90.5Very high93.2Very high101 Ų10156.3 Ų56.361%0.61235%0.349SS*.EExtended strand (participates in β ladder)trans-90.7129176.4-173.50000109.8A60 R61 A62A60-V64 CarbonylContact C-O 3.5Å; A60-V64 WeakPolarHBondContact CA-O 3.3Å; R61-V64 PolarHBondContact N-O 2.86Å; R61-V64 PolarHBondContact O-N 2.82Å; A62-V64 VanDerWaalsContact C-N 3.32Å; A62-V64 PolarHBondContact O-N 2.82Å
65A90.4Very high93.3Very high83 Ų8359.6 Ų59.669%0.68636%0.364SS*.EExtended strand (participates in β ladder)trans-66143.7175.100000111.5T59T59-A65 WeakPolarHBondContact O-CA 3.3Å
66L90.6Very high93.1Very high55 Ų5560 Ų6029%0.28837%0.367SS..EExtended strand (participates in β ladder)trans-116.9127.4179.7-69.5176.2000110.8M58 T59 R61 V70M58-L66 HydrophobicContact CE-CD1 3.78Å; M58-L66 HydrophobicContact CG-CD1 4.16Å; M58-L66 HydrophobicContact SD-CD1 4.34Å; T59-L66 PolarHBondContact O-N 3.26Å; R61-L66 HydrophobicContact CB-CD1 3.75Å; R61-L66 HydrophobicContact CB-CG 4.26Å; L66-V70 HydrophobicContact CD1-CG2 4.34Å
67D88.6Confident93.1Very high159 Ų15963.1 Ų63.185%0.8539%0.389SS*.EExtended strand (participates in β ladder)trans-133.8120.1168.3-17321.3000108.3
68P91.2Very high93Very high100 Ų10065.5 Ų65.565%0.64940%0.397SS*.EExtended strand (participates in β ladder)cis-71.4156.7-3.231.7-36.5000113.2
69P93.2Very high93Very high62 Ų6265.7 Ų65.740%0.40340%0.399SS..EExtended strand (participates in β ladder)trans-68.2147.2174.930.2-36000111.6S57 M58 T59S57-P69 WeakPolarHBondContact OG-CB 3.45Å; M58-P69 VanDerWaalsContact O-CA 3.26Å; M58-P69 WeakPolarHBondContact O-CA 3.44Å; M58-P69 WeakPolarHBondContact O-CB 3.25Å; T59-P69 HydrophobicContact CG2-CB 4.34Å
70V94.7Very high92.9Very high59 Ų5965.5 Ų65.536%0.35839%0.393SS..EExtended strand (participates in β ladder)trans-110.1133.2-170.7-174.50000111.5M58 L66 L104M58-V70 VanDerWaalsContact CB-O 3.26Å; M58-V70 WeakPolarHBondContact CB-O 3.43Å; M58-V70 HydrophobicContact CE-CB 3.92Å; M58-V70 HydrophobicContact CE-CG1 4.39Å; M58-V70 HydrophobicContact CE-CG2 4.49Å; M58-V70 PolarHBondContact N-O 2.77Å; M58-V70 PolarHBondContact O-N 2.89Å; M58-V70 VanDerWaalsContact O-N 3.08Å; L66-V70 HydrophobicContact CD1-CG2 4.34Å; V70-L104 HydrophobicContact CG1-CD1 3.77Å
71D95.9Very high92.9Very high64 Ų6465.5 Ų65.534%0.34239%0.389SS..EExtended strand (participates in β ladder)trans-73.5127.4178.2-794.1000112K45 F55 L56K45-D71 VanDerWaalsContact CD-OD1 3.27Å; K45-D71 WeakPolarHBondContact CD-OD1 3.42Å; K45-D71 IonicContact NZ-OD1 3.81Å; K45-D71 PolarHBondContact NZ-OD1 2.96Å; K45-D71 IonicContact NZ-OD2 2.7Å; K45-D71 PolarHBondContact NZ-OD2 2.88Å; F55-D71 HydrophobicContact CD1-CB 4.02Å; L56-D71 CarbonylContact O-C 3.49Å; L56-D71 WeakPolarHBondContact O-CA 3.15Å
72V96.8Very high92.7Very high0 Ų067.9 Ų67.90%041%0.405CS..EExtended strand (participates in β ladder)trans-121.8125.6177.5-178.80000109.5F55 L56 M58 F95 F97 L104F55-V72 CarbonylContact C-O 3.55Å; F55-V72 WeakPolarHBondContact CA-O 3.5Å; L56-V72 HydrophobicContact CB-CB 4.4Å; L56-V72 PolarHBondContact N-O 2.99Å; L56-V72 PolarHBondContact O-N 3.42Å; M58-V72 HydrophobicContact CB-CG2 4.02Å; M58-V72 HydrophobicContact CE-CG2 4.14Å; M58-V72 HydrophobicContact SD-CG2 4.34Å; V72-F95 HydrophobicContact CB-CE2 4.26Å; V72-F95 HydrophobicContact CG1-CD2 4.44Å; V72-F95 HydrophobicContact CG1-CE2 4.13Å; V72-F95 HydrophobicContact CG2-CE2 3.99Å; V72-F95 HydrophobicContact CG2-CZ 4.34Å; V72-F97 HydrophobicContact CG1-CB 4.04Å; V72-L104 HydrophobicContact CB-CB 4.35Å; V72-L104 HydrophobicContact CG1-CB 4.18Å; V72-L104 HydrophobicContact CG2-CB 3.97Å; V72-L104 HydrophobicContact CG2-CD1 3.98Å
73F97.3Very high92.8Very high67 Ų6767.1 Ų67.129%0.29441%0.405SS..EExtended strand (participates in β ladder)trans-69138.4179.7177-105.8000111.7F53 F55 H75 L104 E105 S106F53-F73 HydrophobicContact CB-CE2 3.89Å; F53-F73 HydrophobicContact CB-CZ 3.94Å; F53-F73 AromaticContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CG-CE2 4.15Å; F53-F73 HydrophobicContact CG-CZ 4.44Å; F55-F73 HydrophobicContact CD1-CB 4.42Å; F55-F73 HydrophobicContact CD2-CD2 4.49Å; F55-F73 HydrophobicContact CE1-CB 4.02Å; F55-F73 HydrophobicContact CE1-CD2 4.4Å; F55-F73 AromaticContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CZ-CB 4.33Å; F55-F73 AromaticContact CZ-CD2 3.91Å; F55-F73 HydrophobicContact CZ-CD2 3.91Å; F73-H75 HydrophobicContact CE1-CB 4.13Å; F73-H75 HydrophobicContact CZ-CB 4.38Å; F73-L104 WeakPolarHBondContact CB-O 3.26Å; F73-L104 PolarHBondContact N-O 3.13Å; F73-E105 HydrophobicContact CD1-CG 4.31Å; F73-S106 WeakPolarHBondContact O-CB 3.34Å; F73-S106 PolarHBondContact O-N 3.5Å; F73-S106 PolarHBondContact O-OG 2.89Å
74V97.3Very high93.2Very high0 Ų066.1 Ų66.10%038%0.379CS..EExtended strand (participates in β ladder)trans-131.613617658.30000112.3F47 F53 G54 L56 L79 L87 S106 V109F47-V74 HydrophobicContact CD2-CG1 4.31Å; F53-V74 CarbonylContact C-O 3.54Å; F53-V74 VanDerWaalsContact CA-O 3.23Å; F53-V74 WeakPolarHBondContact CA-O 3.43Å; F53-V74 WeakPolarHBondContact CB-O 3.31Å; G54-V74 VanDerWaalsContact C-CG1 3.43Å; G54-V74 PolarHBondContact N-O 2.83Å; G54-V74 WeakPolarHBondContact O-CG1 3.24Å; G54-V74 PolarHBondContact O-N 3.03Å; L56-V74 HydrophobicContact CD1-CB 4.27Å; L56-V74 HydrophobicContact CD2-CB 4.31Å; L56-V74 HydrophobicContact CD2-CG1 3.74Å; L56-V74 HydrophobicContact CG-CB 4.05Å; L56-V74 HydrophobicContact CG-CG1 3.84Å; V74-L79 HydrophobicContact CG2-CD2 3.54Å; V74-L79 HydrophobicContact CG2-CG 4.44Å; V74-L87 HydrophobicContact CG1-CD1 4.35Å; V74-L87 HydrophobicContact CG2-CD1 4.38Å; V74-S106 VanDerWaalsContact CA-OG 3.3Å; V74-S106 WeakPolarHBondContact CA-OG 2.92Å; V74-S106 WeakPolarHBondContact CB-OG 3.21Å; V74-V109 HydrophobicContact CG2-CG2 3.82Å
75H97.4Very high93.3Very high68 Ų6865.7 Ų65.732%0.31537%0.366SS..EExtended strand (participates in β ladder)trans-118.4147175-179.9-106.8000110.8G52 F73 S77 K78G52-H75 PolarHBondContact O-CD2 3.18Å; G52-H75 VanDerWaalsContact O-CD2 3.25Å; F73-H75 HydrophobicContact CE1-CB 4.13Å; F73-H75 HydrophobicContact CZ-CB 4.38Å; H75-S77 PolarHBondContact ND1-N 3.19Å; H75-S77 PolarHBondContact ND1-OG 3.39Å; H75-S77 PolarHBondContact O-N 2.91Å; H75-K78 HydrophobicContact CB-CG 4.45Å; H75-K78 WeakPolarHBondContact O-CB 3.42Å; H75-K78 PolarHBondContact O-N 2.82Å
76Q95.2Very high93.5Very high67 Ų6761.9 Ų61.931%0.31333%0.334SS..G310 helixtrans-57.6-22-175.262.5149.114.100114.3F47 G52 K78 R85F47-Q76 HydrophobicContact CZ-CB 4.16Å; G52-Q76 WeakPolarHBondContact O-CB 3.47Å; G52-Q76 WeakPolarHBondContact O-CG 3.22Å; G52-Q76 PolarHBondContact O-N 3.43Å; Q76-K78 PolarHBondContact O-N 2.88Å; Q76-R85 HydrophobicContact CB-CB 4.13Å; Q76-R85 VanDerWaalsContact O-CB 3.26Å; Q76-R85 WeakPolarHBondContact O-CB 3.29Å; Q76-R85 WeakPolarHBondContact O-CD 3.46Å; Q76-R85 PolarHBondContact O-NE 3.02Å
77S95.8Very high93.7Very high67 Ų6759.3 Ų59.347%0.46932%0.321SS..G310 helixtrans-75.7-10.8176.7650000113.7H75H75-S77 PolarHBondContact ND1-N 3.19Å; H75-S77 PolarHBondContact ND1-OG 3.39Å; H75-S77 PolarHBondContact O-N 2.91Å
78K96.4Very high93.9Very high65 Ų6556.1 Ų56.128%0.28330%0.3SS..G310 helixtrans-100.2-9.3-178.6-47.5-53.7-160.6166.60112.9H75 Q76 I107 R108 V109H75-K78 HydrophobicContact CB-CG 4.45Å; H75-K78 WeakPolarHBondContact O-CB 3.42Å; H75-K78 PolarHBondContact O-N 2.82Å; Q76-K78 PolarHBondContact O-N 2.88Å; K78-I107 WeakPolarHBondContact CD-O 3.41Å; K78-R108 CarbonylContact O-C 3.58Å; K78-R108 WeakPolarHBondContact O-CA 3.23Å; K78-V109 PolarHBondContact O-N 2.78Å
79L96.1Very high94.1Very high8 Ų858.4 Ų58.44%0.04230%0.302CS..BIsolated β-bridgetrans-77.5125.5-179.5-56.9-177.9000110.9F47 V74 M81 R85 L87 V109F47-L79 HydrophobicContact CE2-CD1 4Å; F47-L79 HydrophobicContact CZ-CD1 4.01Å; V74-L79 HydrophobicContact CG2-CD2 3.54Å; V74-L79 HydrophobicContact CG2-CG 4.44Å; L79-M81 PolarHBondContact O-N 3.07Å; L79-R85 HydrophobicContact CB-CB 4.18Å; L79-R85 HydrophobicContact CB-CG 4.39Å; L79-R85 HydrophobicContact CD1-CB 4.16Å; L79-R85 VanDerWaalsContact O-CD 3.22Å; L79-R85 WeakPolarHBondContact O-CD 3.25Å; L79-L87 HydrophobicContact CD1-CD2 4.48Å; L79-L87 HydrophobicContact CD1-CG 3.97Å; L79-L87 HydrophobicContact CD2-CD1 3.68Å; L79-L87 HydrophobicContact CD2-CD2 3.99Å; L79-L87 HydrophobicContact CD2-CG 3.73Å; L79-V109 HydrophobicContact CD2-CB 3.86Å; L79-V109 HydrophobicContact CD2-CG1 4.13Å; L79-V109 HydrophobicContact CD2-CG2 4.21Å
80H93.6Very high94.1Very high60 Ų6057.9 Ų57.928%0.27831%0.307SS..  trans-83.786.9175.7-169.6-114.8000109.8R108 V109 T110 F116 C117H80-R108 PolarHBondContact CD2-NH2 2.77Å; H80-R108 PolarHBondContact CE1-NH2 3.16Å; H80-R108 PolarHBondContact NE2-NH2 2.91Å; H80-V109 WeakPolarHBondContact CB-O 3.28Å; H80-V109 PolarHBondContact N-O 2.85Å; H80-T110 HydrophobicContact CB-CG2 3.66Å; H80-F116 AromaticContact CE1-CD1 3.75Å; H80-F116 AromaticContact CE1-CE1 3.57Å; H80-F116 AromaticContact ND1-CD1 3.57Å; H80-F116 AromaticContact ND1-CE1 3.87Å; H80-F116 VanDerWaalsContact O-CA 3.29Å; H80-F116 WeakPolarHBondContact O-CA 3.42Å; H80-F116 WeakPolarHBondContact O-CD1 3.4Å; H80-C117 PolarHBondContact O-N 2.7Å; H80-C117 PolarHBondContact O-SG 2.88Å; H80-C117 VanDerWaalsContact O-SG 3.39Å
81M91.6Very high94.1Very high22 Ų2255.5 Ų55.511%0.10829%0.292CS..  trans-159.7159.6171.363.1174.662.900111.4L79 R85 S86 F116 C117L79-M81 PolarHBondContact O-N 3.07Å; M81-R85 HydrophobicContact CG-CB 4.31Å; M81-R85 HydrophobicContact CG-CG 3.7Å; M81-R85 HydrophobicContact SD-CB 4.47Å; M81-R85 HydrophobicContact SD-CG 4.44Å; M81-S86 WeakPolarHBondContact CE-O 3.3Å; M81-F116 HydrophobicContact CB-CB 4.45Å; M81-C117 HydrophobicContact CE-CB 3.38Å; M81-C117 VanDerWaalsContact CE-O 3.28Å; M81-C117 WeakPolarHBondContact CE-O 3.33Å
82E86.8Confident94.1Very high160 Ų16054.8 Ų54.875%0.74830%0.296SS*.SBendtrans-82152.5178.2-60.1-168.7161.400112.8F84 F116E82-F84 PolarHBondContact O-N 2.96Å; E82-F116 HydrophobicContact CG-CZ 4.41Å
83G88Confident94.1Very high65 Ų6555 Ų5567%0.6730%0.297SS*.SBendtrans70.8-115.8175.400000114.1
84F89Confident94Very high56 Ų5654.3 Ų54.325%0.24629%0.294CS..SBendtrans-99.4111.6-171.2175.6-95.6000111.1V49 E82 S86 R123 P124V49-F84 HydrophobicContact CG1-CE1 3.43Å; V49-F84 VanDerWaalsContact CG1-CE1 3.43Å; V49-F84 HydrophobicContact CG1-CZ 3.62Å; E82-F84 PolarHBondContact O-N 2.96Å; F84-S86 PolarHBondContact O-N 3.02Å; F84-R123 HydrophobicContact CD1-CG 3.92Å; F84-R123 HydrophobicContact CE1-CG 4.32Å; F84-R123 HydrophobicContact CG-CG 4.24Å; F84-P124 HydrophobicContact CE1-CG 4.37Å; F84-P124 HydrophobicContact CE2-CG 4.25Å; F84-P124 HydrophobicContact CZ-CG 3.75Å
85R93.2Very high94Very high92 Ų9254.3 Ų54.335%0.34730%0.295SS..  trans-83.8113.9-168.4-70.8-175.7-66.8-91.2-1.3112.4Q76 L79 M81Q76-R85 HydrophobicContact CB-CB 4.13Å; Q76-R85 VanDerWaalsContact O-CB 3.26Å; Q76-R85 WeakPolarHBondContact O-CB 3.29Å; Q76-R85 WeakPolarHBondContact O-CD 3.46Å; Q76-R85 PolarHBondContact O-NE 3.02Å; L79-R85 HydrophobicContact CB-CB 4.18Å; L79-R85 HydrophobicContact CB-CG 4.39Å; L79-R85 HydrophobicContact CD1-CB 4.16Å; L79-R85 VanDerWaalsContact O-CD 3.22Å; L79-R85 WeakPolarHBondContact O-CD 3.25Å; M81-R85 HydrophobicContact CG-CB 4.31Å; M81-R85 HydrophobicContact CG-CG 3.7Å; M81-R85 HydrophobicContact SD-CB 4.47Å; M81-R85 HydrophobicContact SD-CG 4.44Å
86S94.9Very high93.9Very high3 Ų353 Ų532%0.02129%0.292CS..  trans-151.4172.3174.160.80000110.9F47 M81 F84 G119 S120F47-S86 VanDerWaalsContact CE1-CA 3.48Å; M81-S86 WeakPolarHBondContact CE-O 3.3Å; F84-S86 PolarHBondContact O-N 3.02Å; S86-G119 WeakPolarHBondContact O-CA 3.44Å; S86-S120 WeakPolarHBondContact CB-OG 3.42Å; S86-S120 PolarHBondContact OG-N 2.82Å; S86-S120 PolarHBondContact OG-OG 2.71Å
87L94.9Very high93.9Very high2 Ų249.9 Ų49.91%0.0128%0.277CS..  trans-123.1153.4171.2-69.1173.8000110.3C44 F47 L56 V74 L79 V93 C117C44-L87 HydrophobicContact CB-CB 4.05Å; C44-L87 HydrophobicContact CB-CD1 4.11Å; C44-L87 VanDerWaalsContact SG-CB 3.56Å; F47-L87 HydrophobicContact CB-CB 4.09Å; F47-L87 HydrophobicContact CD2-CB 4.17Å; F47-L87 HydrophobicContact CD2-CD1 4.38Å; F47-L87 HydrophobicContact CD2-CG 4.4Å; F47-L87 HydrophobicContact CG-CB 4.13Å; L56-L87 HydrophobicContact CD2-CD1 3.57Å; V74-L87 HydrophobicContact CG1-CD1 4.35Å; V74-L87 HydrophobicContact CG2-CD1 4.38Å; L79-L87 HydrophobicContact CD1-CD2 4.48Å; L79-L87 HydrophobicContact CD1-CG 3.97Å; L79-L87 HydrophobicContact CD2-CD1 3.68Å; L79-L87 HydrophobicContact CD2-CD2 3.99Å; L79-L87 HydrophobicContact CD2-CG 3.73Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; L87-C117 HydrophobicContact CD2-CB 3.64Å
88K93.4Very high93.8Very high92 Ų9249.9 Ų49.940%0.427%0.269SS..  trans-89.5142.6167.8173.5169.1177168.20109.9C44 G90 E91 E121C44-K88 WeakPolarHBondContact CB-O 3.49Å; K88-G90 PolarHBondContact O-N 2.89Å; K88-E91 HydrophobicContact CB-CB 4.18Å; K88-E91 PolarHBondContact N-OE2 2.85Å; K88-E91 WeakPolarHBondContact O-CB 3.49Å; K88-E91 PolarHBondContact O-N 3.43Å; K88-E91 VanDerWaalsContact O-N 3.13Å; K88-E121 IonicContact NZ-OE1 3.47Å; K88-E121 PolarHBondContact NZ-OE1 2.99Å
89E94.5Very high93.6Very high147 Ų14755.4 Ų55.469%0.68729%0.293SS*.THydrogen-bonded Turntrans-63.2134.1173.5-172.5174.8159.200110.8E91E89-E91 PolarHBondContact O-N 2.86Å
90G94.3Very high93.3Very high51 Ų5157 Ų5753%0.52631%0.305SS..THydrogen-bonded Turntrans76.22.3-172.700000115.2C44 K88 A92C44-G90 PolarHBondContact O-N 2.86Å; K88-G90 PolarHBondContact O-N 2.89Å; G90-A92 PolarHBondContact O-N 3.42Å
91E93.7Very high93.2Very high9 Ų959.5 Ų59.54%0.04234%0.335CS..  trans-66.3126.3175.8-174.3-179.4155.600111.2I43 C44 K88 E89 V93 C117 I118 G119I43-E91 CarbonylContact C-O 3.52Å; I43-E91 VanDerWaalsContact CA-O 3.26Å; I43-E91 WeakPolarHBondContact CA-O 3.36Å; C44-E91 HydrophobicContact CB-CB 4.32Å; C44-E91 PolarHBondContact N-O 3.02Å; K88-E91 HydrophobicContact CB-CB 4.18Å; K88-E91 PolarHBondContact N-OE2 2.85Å; K88-E91 WeakPolarHBondContact O-CB 3.49Å; K88-E91 PolarHBondContact O-N 3.43Å; K88-E91 VanDerWaalsContact O-N 3.13Å; E89-E91 PolarHBondContact O-N 2.86Å; E91-V93 HydrophobicContact CG-CG1 4.49Å; E91-C117 VanDerWaalsContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CB 3.17Å; E91-I118 HydrophobicContact CG-CB 4.36Å; E91-I118 HydrophobicContact CG-CD1 4.2Å; E91-I118 HydrophobicContact CG-CG1 4.26Å; E91-I118 PolarHBondContact OE1-N 3.13Å; E91-G119 PolarHBondContact OE2-N 3.1Å
92A95.3Very high93Very high50 Ų5068.5 Ų68.541%0.41337%0.374SS..EExtended strand (participates in β ladder)trans-69.9133174.800000111G90 P112G90-A92 PolarHBondContact O-N 3.42Å; A92-P112 HydrophobicContact CB-CG 3.95Å; A92-P112 WeakPolarHBondContact O-CD 3.38Å
93V96.6Very high93.3Very high4 Ų462.6 Ų62.62%0.02436%0.356CS..EExtended strand (participates in β ladder)trans-142147.3-174.3-71.50000112.3A41 G42 L56 L87 E91 F95 V109 T110A41-V93 WeakPolarHBondContact CA-O 3.36Å; G42-V93 PolarHBondContact N-O 3.28Å; G42-V93 PolarHBondContact O-N 3.08Å; L56-V93 HydrophobicContact CD1-CG2 4.16Å; L56-V93 HydrophobicContact CD2-CG2 4.06Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; E91-V93 HydrophobicContact CG-CG1 4.49Å; V93-F95 HydrophobicContact CB-CD1 4.48Å; V93-F95 HydrophobicContact CG2-CD1 3.99Å; V93-F95 HydrophobicContact CG2-CE1 4.11Å; V93-V109 HydrophobicContact CB-CG1 3.9Å; V93-V109 HydrophobicContact CG1-CG1 3.91Å; V93-V109 HydrophobicContact CG2-CG1 4.48Å; V93-T110 VanDerWaalsContact CA-O 3.3Å; V93-T110 WeakPolarHBondContact CA-O 3.22Å; V93-T110 WeakPolarHBondContact CB-O 3.33Å
94E96.1Very high93.7Very high52 Ų5261.5 Ų61.524%0.24333%0.334CS..EExtended strand (participates in β ladder)trans-110.8143167-74.6167.4-167.200108.5A41 V109 T110 P112 G113 G114A41-E94 HydrophobicContact CB-CG 4.33Å; E94-V109 WeakPolarHBondContact O-CA 3.04Å; E94-T110 PolarHBondContact N-O 2.67Å; E94-T110 PolarHBondContact O-N 2.69Å; E94-T110 PolarHBondContact O-OG1 3.25Å; E94-P112 WeakPolarHBondContact OE1-CA 3.41Å; E94-G113 PolarHBondContact OE1-N 2.82Å; E94-G113 PolarHBondContact OE2-N 2.95Å; E94-G114 PolarHBondContact OE2-N 2.8Å
95F96.4Very high94Very high1 Ų161 Ų610%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-155.4148.9-175.851.2-90.4000113.7G40 L56 M58 V72 V93 F97 R108 V109G40-F95 PolarHBondContact N-O 3.32Å; G40-F95 PolarHBondContact O-N 3Å; L56-F95 HydrophobicContact CB-CE1 4.18Å; L56-F95 HydrophobicContact CB-CZ 4.4Å; L56-F95 HydrophobicContact CD1-CB 4.38Å; L56-F95 HydrophobicContact CD1-CD1 3.5Å; L56-F95 VanDerWaalsContact CD1-CD1 3.5Å; L56-F95 HydrophobicContact CD1-CD2 4.39Å; L56-F95 HydrophobicContact CD1-CE1 3.76Å; L56-F95 HydrophobicContact CD1-CG 3.84Å; L56-F95 HydrophobicContact CD1-CZ 4.32Å; M58-F95 HydrophobicContact CB-CE2 4.46Å; M58-F95 HydrophobicContact CB-CZ 3.83Å; M58-F95 HydrophobicContact CG-CE2 4.26Å; M58-F95 HydrophobicContact CG-CZ 3.82Å; M58-F95 HydrophobicContact SD-CE2 4.03Å; M58-F95 HydrophobicContact SD-CZ 4.22Å; V72-F95 HydrophobicContact CB-CE2 4.26Å; V72-F95 HydrophobicContact CG1-CD2 4.44Å; V72-F95 HydrophobicContact CG1-CE2 4.13Å; V72-F95 HydrophobicContact CG2-CE2 3.99Å; V72-F95 HydrophobicContact CG2-CZ 4.34Å; V93-F95 HydrophobicContact CB-CD1 4.48Å; V93-F95 HydrophobicContact CG2-CD1 3.99Å; V93-F95 HydrophobicContact CG2-CE1 4.11Å; F95-F97 HydrophobicContact CD2-CB 4.26Å; F95-F97 AromaticContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CG 4.48Å; F95-F97 AromaticContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CE1 4.42Å; F95-F97 HydrophobicContact CE2-CG 4.47Å; F95-R108 CarbonylContact C-O 3.56Å; F95-R108 WeakPolarHBondContact CA-O 3.38Å; F95-R108 VanDerWaalsContact CB-O 3.23Å; F95-R108 WeakPolarHBondContact CB-O 3.35Å; F95-V109 HydrophobicContact CB-CB 4.3Å; F95-V109 HydrophobicContact CB-CG1 4.33Å; F95-V109 HydrophobicContact CB-CG2 3.94Å
96T95.6Very high94.1Very high41 Ų4156.7 Ų56.725%0.25232%0.317SS..EExtended strand (participates in β ladder)trans-93.8137.9162.2550000109.4L38 S106 I107 R108L38-T96 CarbonylContact O-C 3.54Å; L38-T96 VanDerWaalsContact O-CA 3.3Å; L38-T96 WeakPolarHBondContact O-CA 3.32Å; T96-S106 CarbonylContact O-C 3.59Å; T96-S106 WeakPolarHBondContact O-CA 2.97Å; T96-I107 PolarHBondContact O-N 2.77Å; T96-R108 PolarHBondContact N-O 3.28Å; T96-R108 PolarHBondContact OG1-N 2.89Å
97F95.1Very high94.2Very high0 Ų059.1 Ų59.10%033%0.329CS..EExtended strand (participates in β ladder)trans-137.2160.6-18070.4-85.3000111.7L38 M58 R61 V72 F95 L104 E105L38-F97 HydrophobicContact CB-CD1 4.03Å; L38-F97 HydrophobicContact CB-CD2 4.15Å; L38-F97 HydrophobicContact CB-CE1 3.6Å; L38-F97 HydrophobicContact CB-CE2 3.74Å; L38-F97 HydrophobicContact CB-CG 4.3Å; L38-F97 HydrophobicContact CB-CZ 3.45Å; L38-F97 VanDerWaalsContact CB-CZ 3.45Å; L38-F97 HydrophobicContact CD1-CD2 4.37Å; L38-F97 HydrophobicContact CD1-CE2 3.69Å; L38-F97 HydrophobicContact CD1-CZ 4.04Å; L38-F97 HydrophobicContact CG-CE2 4.38Å; L38-F97 HydrophobicContact CG-CZ 4.35Å; L38-F97 PolarHBondContact N-O 3.48Å; L38-F97 VanDerWaalsContact O-CD1 3.25Å; L38-F97 WeakPolarHBondContact O-CD1 3.26Å; L38-F97 PolarHBondContact O-N 2.83Å; M58-F97 HydrophobicContact CE-CE1 4.27Å; M58-F97 HydrophobicContact CE-CE2 4.4Å; M58-F97 HydrophobicContact CE-CZ 3.86Å; M58-F97 HydrophobicContact SD-CD1 4.19Å; M58-F97 HydrophobicContact SD-CE1 3.42Å; M58-F97 WeakPolarHBondContact SD-CE1 3.22Å; M58-F97 HydrophobicContact SD-CZ 3.63Å; R61-F97 HydrophobicContact CG-CE1 4.42Å; R61-F97 HydrophobicContact CG-CZ 4.13Å; V72-F97 HydrophobicContact CG1-CB 4.04Å; F95-F97 HydrophobicContact CD2-CB 4.26Å; F95-F97 AromaticContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CG 4.48Å; F95-F97 AromaticContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CE1 4.42Å; F95-F97 HydrophobicContact CE2-CG 4.47Å; F97-L104 HydrophobicContact CD2-CB 4.22Å; F97-L104 HydrophobicContact CD2-CD1 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4.02Å; F97-L104 HydrophobicContact CD2-CG 4.38Å; F97-L104 HydrophobicContact CE2-CD1 3.86Å; F97-L104 HydrophobicContact CE2-CD2 3.92Å; F97-L104 HydrophobicContact CE2-CG 4.37Å; F97-E105 CarbonylContact C-O 3.6Å; F97-E105 WeakPolarHBondContact CA-O 3.44Å; F97-E105 WeakPolarHBondContact CB-O 3.1Å
98K94Very high94.2Very high68 Ų6865 Ų6530%0.29635%0.351SS..EExtended strand (participates in β ladder)trans-126.3161.7172.260.1171.6178.1170.50110.7E105 I107K98-E105 VanDerWaalsContact CE-OE2 3.25Å; K98-E105 WeakPolarHBondContact CE-OE2 3.26Å; K98-E105 HydrophobicContact CG-CB 4.43Å; K98-E105 PolarHBondContact N-O 2.85Å; K98-E105 IonicContact NZ-OE2 3.76Å; K98-E105 PolarHBondContact O-N 3.06Å; K98-I107 HydrophobicContact CB-CD1 3.83Å; K98-I107 HydrophobicContact CD-CD1 3.99Å; K98-I107 HydrophobicContact CD-CG1 4.41Å; K98-I107 HydrophobicContact CG-CD1 3.76Å; K98-I107 HydrophobicContact CG-CG1 4.11Å
99K92.3Very high94.4Very high181 Ų18160.6 Ų60.679%0.78733%0.332SS*.EExtended strand (participates in β ladder)trans-77.6129.7162.9-164.6175.8-178.5-177.10108.7
100S90.5Very high94.5Very high42 Ų4254.1 Ų54.129%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-127.2165.1-179.5-167.40000108.8K102 G103 E105S100-K102 PolarHBondContact O-N 2.95Å; S100-G103 CarbonylContact C-O 3.56Å; S100-G103 WeakPolarHBondContact CA-O 3.38Å; S100-G103 WeakPolarHBondContact CB-O 3.46Å; S100-G103 PolarHBondContact N-O 2.84Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-G103 VanDerWaalsContact O-O 3.12Å; S100-E105 WeakPolarHBondContact CB-OE2 3.26Å; S100-E105 PolarHBondContact OG-OE2 3.41Å; S100-E105 VanDerWaalsContact OG-OE2 3.07Å
101A90.5Very high94.5Very high111 Ų11151.8 Ų51.892%0.91728%0.278SS*.THydrogen-bonded Turntrans-60-19.2-179.200000113.6
102K89.1Confident94.3Very high211 Ų21154.6 Ų54.692%0.91730%0.297SS*.THydrogen-bonded Turntrans-102.59.4178.8-59.7-175.2178.8-179.90114.1S100S100-K102 PolarHBondContact O-N 2.95Å
103G92.4Very high94Very high36 Ų3655.5 Ų55.537%0.37131%0.311SS..EExtended strand (participates in β ladder)trans111.5-154.3-173.900000112.9S100S100-G103 CarbonylContact C-O 3.56Å; S100-G103 WeakPolarHBondContact CA-O 3.38Å; S100-G103 WeakPolarHBondContact CB-O 3.46Å; S100-G103 PolarHBondContact N-O 2.84Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-G103 VanDerWaalsContact O-O 3.12Å
104L95.3Very high93.7Very high42 Ų4256.9 Ų56.922%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-80.3130.1-179.8-58.5-176.3000111M58 V70 V72 F73 F97M58-L104 HydrophobicContact CE-CD1 3.91Å; V70-L104 HydrophobicContact CG1-CD1 3.77Å; V72-L104 HydrophobicContact CB-CB 4.35Å; V72-L104 HydrophobicContact CG1-CB 4.18Å; V72-L104 HydrophobicContact CG2-CB 3.97Å; V72-L104 HydrophobicContact CG2-CD1 3.98Å; F73-L104 WeakPolarHBondContact CB-O 3.26Å; F73-L104 PolarHBondContact N-O 3.13Å; F97-L104 HydrophobicContact CD2-CB 4.22Å; F97-L104 HydrophobicContact CD2-CD1 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4.02Å; F97-L104 HydrophobicContact CD2-CG 4.38Å; F97-L104 HydrophobicContact CE2-CD1 3.86Å; F97-L104 HydrophobicContact CE2-CD2 3.92Å; F97-L104 HydrophobicContact CE2-CG 4.37Å
105E95.9Very high93.5Very high46 Ų4658.2 Ų58.222%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-124.6127.2-177.8176.5-176.2177.600110.4F73 F97 K98 S100F73-E105 HydrophobicContact CD1-CG 4.31Å; F97-E105 CarbonylContact C-O 3.6Å; F97-E105 WeakPolarHBondContact CA-O 3.44Å; F97-E105 WeakPolarHBondContact CB-O 3.1Å; K98-E105 VanDerWaalsContact CE-OE2 3.25Å; K98-E105 WeakPolarHBondContact CE-OE2 3.26Å; K98-E105 HydrophobicContact CG-CB 4.43Å; K98-E105 PolarHBondContact N-O 2.85Å; K98-E105 IonicContact NZ-OE2 3.76Å; K98-E105 PolarHBondContact O-N 3.06Å; S100-E105 WeakPolarHBondContact CB-OE2 3.26Å; S100-E105 PolarHBondContact OG-OE2 3.41Å; S100-E105 VanDerWaalsContact OG-OE2 3.07Å
106S96.4Very high93.4Very high1 Ų163.5 Ų63.51%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-74.1143.1173.955.90000112.8F73 V74 T96F73-S106 WeakPolarHBondContact O-CB 3.34Å; F73-S106 PolarHBondContact O-N 3.5Å; F73-S106 PolarHBondContact O-OG 2.89Å; V74-S106 VanDerWaalsContact CA-OG 3.3Å; V74-S106 WeakPolarHBondContact CA-OG 2.92Å; V74-S106 WeakPolarHBondContact CB-OG 3.21Å; T96-S106 CarbonylContact O-C 3.59Å; T96-S106 WeakPolarHBondContact O-CA 2.97Å
107I96Very high93.3Very high54 Ų5462 Ų6228%0.27735%0.352SS..EExtended strand (participates in β ladder)trans-108.2-39-178.4-67.6170.2000110.7L37 K78 T96 K98L37-I107 HydrophobicContact CD2-CD1 3.26Å; K78-I107 WeakPolarHBondContact CD-O 3.41Å; T96-I107 PolarHBondContact O-N 2.77Å; K98-I107 HydrophobicContact CB-CD1 3.83Å; K98-I107 HydrophobicContact CD-CD1 3.99Å; K98-I107 HydrophobicContact CD-CG1 4.41Å; K98-I107 HydrophobicContact CG-CD1 3.76Å; K98-I107 HydrophobicContact CG-CG1 4.11Å
108R95.6Very high93.1Very high126 Ų12668.6 Ų68.648%0.47539%0.386SS..EExtended strand (participates in β ladder)trans-145.1137.3171.1-173.7-179.5-179.2-147.51.4108.2K78 H80 F95 T96K78-R108 CarbonylContact O-C 3.58Å; K78-R108 WeakPolarHBondContact O-CA 3.23Å; H80-R108 PolarHBondContact CD2-NH2 2.77Å; H80-R108 PolarHBondContact CE1-NH2 3.16Å; H80-R108 PolarHBondContact NE2-NH2 2.91Å; F95-R108 CarbonylContact C-O 3.56Å; F95-R108 WeakPolarHBondContact CA-O 3.38Å; F95-R108 VanDerWaalsContact CB-O 3.23Å; F95-R108 WeakPolarHBondContact CB-O 3.35Å; T96-R108 PolarHBondContact N-O 3.28Å; T96-R108 PolarHBondContact OG1-N 2.89Å
109V96.8Very high92.8Very high0 Ų065.7 Ų65.70%038%0.375CS..EExtended strand (participates in β ladder)trans-127.4128.4177.2-173.50000108.6L56 V74 K78 L79 H80 V93 E94 F95L56-V109 HydrophobicContact CD1-CG1 4.09Å; L56-V109 HydrophobicContact CD1-CG2 4.03Å; V74-V109 HydrophobicContact CG2-CG2 3.82Å; K78-V109 PolarHBondContact O-N 2.78Å; L79-V109 HydrophobicContact CD2-CB 3.86Å; L79-V109 HydrophobicContact CD2-CG1 4.13Å; L79-V109 HydrophobicContact CD2-CG2 4.21Å; H80-V109 WeakPolarHBondContact CB-O 3.28Å; H80-V109 PolarHBondContact N-O 2.85Å; V93-V109 HydrophobicContact CB-CG1 3.9Å; V93-V109 HydrophobicContact CG1-CG1 3.91Å; V93-V109 HydrophobicContact CG2-CG1 4.48Å; E94-V109 WeakPolarHBondContact O-CA 3.04Å; F95-V109 HydrophobicContact CB-CB 4.3Å; F95-V109 HydrophobicContact CB-CG1 4.33Å; F95-V109 HydrophobicContact CB-CG2 3.94Å
110T96.3Very high92.5Very high10 Ų1058.1 Ų58.16%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-124.2167.2177.649.10000109.6H80 V93 E94 V115H80-T110 HydrophobicContact CB-CG2 3.66Å; V93-T110 VanDerWaalsContact CA-O 3.3Å; V93-T110 WeakPolarHBondContact CA-O 3.22Å; V93-T110 WeakPolarHBondContact CB-O 3.33Å; E94-T110 PolarHBondContact N-O 2.67Å; E94-T110 PolarHBondContact O-N 2.69Å; E94-T110 PolarHBondContact O-OG1 3.25Å; T110-V115 WeakPolarHBondContact CB-O 3.42Å
111G93.9Very high91.9Very high2 Ų263.6 Ų63.62%0.02137%0.366CS..SBendtrans-70.8179.5158.500000111.5G114 V115G111-G114 PolarHBondContact O-N 2.82Å; G111-V115 PolarHBondContact N-O 2.96Å
112P91.1Very high91Very high69 Ų6968.3 Ų68.345%0.44836%0.36SS..G310 helixtrans-60.3139.4179.5-22.134.7000112.3A92 E94 G114 V115A92-P112 HydrophobicContact CB-CG 3.95Å; A92-P112 WeakPolarHBondContact O-CD 3.38Å; E94-P112 WeakPolarHBondContact OE1-CA 3.41Å; P112-G114 PolarHBondContact O-N 3.15Å; P112-V115 WeakPolarHBondContact O-CG2 3.27Å
113G88.4Confident90.1Very high69 Ų6965.9 Ų65.971%0.71135%0.345SS*.G310 helixtrans64.925.2-174.300000114E94 V115E94-G113 PolarHBondContact OE1-N 2.82Å; E94-G113 PolarHBondContact OE2-N 2.95Å; G113-V115 VanDerWaalsContact C-N 3.33Å; G113-V115 PolarHBondContact O-N 3Å
114G89.3Confident88.7Confident32 Ų3267 Ų6733%0.3335%0.346SS..G310 helixtrans76.47.6177.800000116.6E94 G111 P112E94-G114 PolarHBondContact OE2-N 2.8Å; G111-G114 PolarHBondContact O-N 2.82Å; P112-G114 PolarHBondContact O-N 3.15Å
115V93.6Very high87Confident81 Ų8172.2 Ų72.249%0.49137%0.367SS..PPolyproline II helixtrans-64.9169.4179.8-57.30000112.7T110 G111 P112 G113T110-V115 WeakPolarHBondContact CB-O 3.42Å; G111-V115 PolarHBondContact N-O 2.96Å; P112-V115 WeakPolarHBondContact O-CG2 3.27Å; G113-V115 VanDerWaalsContact C-N 3.33Å; G113-V115 PolarHBondContact O-N 3Å
116F93.4Very high85.2Confident112 Ų11272.3 Ų72.349%0.49138%0.38SS..PPolyproline II helixtrans-65.4139.6170.4-61.6-58000110.8H80 M81 E82H80-F116 AromaticContact CE1-CD1 3.75Å; H80-F116 AromaticContact CE1-CE1 3.57Å; H80-F116 AromaticContact ND1-CD1 3.57Å; H80-F116 AromaticContact ND1-CE1 3.87Å; H80-F116 VanDerWaalsContact O-CA 3.29Å; H80-F116 WeakPolarHBondContact O-CA 3.42Å; H80-F116 WeakPolarHBondContact O-CD1 3.4Å; M81-F116 HydrophobicContact CB-CB 4.45Å; E82-F116 HydrophobicContact CG-CZ 4.41Å
117C93.7Very high83.3Confident9 Ų980.9 Ų80.96%0.06142%0.417CS..PPolyproline II helixtrans-69.5152.7174.23.30000111.3H80 M81 L87 E91H80-C117 PolarHBondContact O-N 2.7Å; H80-C117 PolarHBondContact O-SG 2.88Å; H80-C117 VanDerWaalsContact O-SG 3.39Å; M81-C117 HydrophobicContact CE-CB 3.38Å; M81-C117 VanDerWaalsContact CE-O 3.28Å; M81-C117 WeakPolarHBondContact CE-O 3.33Å; L87-C117 HydrophobicContact CD2-CB 3.64Å; E91-C117 VanDerWaalsContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CB 3.17Å
118I90.4Very high81.4Confident139 Ų13985.3 Ų85.371%0.71344%0.441SS*.  trans-71.9-48.5-173.9-53.1178.6000110.3E91E91-I118 HydrophobicContact CG-CB 4.36Å; E91-I118 HydrophobicContact CG-CD1 4.2Å; E91-I118 HydrophobicContact CG-CG1 4.26Å; E91-I118 PolarHBondContact OE1-N 3.13Å
119G89Confident79.4Confident7 Ų783.6 Ų83.67%0.07244%0.439CS..  trans78.5171178.800000115.3S86 E91S86-G119 WeakPolarHBondContact O-CA 3.44Å; E91-G119 PolarHBondContact OE2-N 3.1Å
120S85.4Confident77.4Confident21 Ų2191.3 Ų91.315%0.14748%0.476CS..  trans-77.1129.8-172.969.10000113.1V49 S86 R122V49-S120 WeakPolarHBondContact CG1-OG 3.45Å; V49-S120 VanDerWaalsContact CG2-OG 3.32Å; V49-S120 WeakPolarHBondContact CG2-OG 3.39Å; S86-S120 WeakPolarHBondContact CB-OG 3.42Å; S86-S120 PolarHBondContact OG-N 2.82Å; S86-S120 PolarHBondContact OG-OG 2.71Å; S120-R122 PolarHBondContact O-N 3.12Å; S120-R122 VanDerWaalsContact O-N 3.15Å
121E78.6Confident75.3Confident157 Ų15799.6 Ų99.673%0.73451%0.511SS*.SBendtrans-56.3-29169.2-65.2161.5-145.900111.9K88 R123K88-E121 IonicContact NZ-OE1 3.47Å; K88-E121 PolarHBondContact NZ-OE1 2.99Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.11Å; E121-R123 VanDerWaalsContact O-N 3.13Å
122R71.2Confident73.4Confident211 Ų211108.8 Ų108.880%0.79655%0.545SS*.  trans-87.162178.5-59.3-161.3-170.9-71.10.6112.3S120 P124S120-R122 PolarHBondContact O-N 3.12Å; S120-R122 VanDerWaalsContact O-N 3.15Å; R122-P124 WeakPolarHBondContact O-CD 3.43Å; R122-P124 VanDerWaalsContact O-N 3.15Å
123R68.9Low71.7Confident159 Ų159112.2 Ų112.260%0.655%0.549SS*.  trans-56.6120.1163.7-173170.4-175147.7-3.6108.7F84 E121 K125F84-R123 HydrophobicContact CD1-CG 3.92Å; F84-R123 HydrophobicContact CE1-CG 4.32Å; F84-R123 HydrophobicContact CG-CG 4.24Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.11Å; E121-R123 VanDerWaalsContact O-N 3.13Å; R123-K125 PolarHBondContact O-N 2.91Å
124P63.9Low70.2Confident61 Ų61113.8 Ų113.840%0.39655%0.549SS..  trans-61.6111.6177.123.3-32.1000107.4V49 F84 R122 G126V49-P124 HydrophobicContact CG1-CG 4.27Å; F84-P124 HydrophobicContact CE1-CG 4.37Å; F84-P124 HydrophobicContact CE2-CG 4.25Å; F84-P124 HydrophobicContact CZ-CG 3.75Å; R122-P124 WeakPolarHBondContact O-CD 3.43Å; R122-P124 VanDerWaalsContact O-N 3.15Å; P124-G126 PolarHBondContact O-N 3.14Å
125K60.3Low68.6Low151 Ų151121.4 Ų121.466%0.65757%0.573SS**  trans-56.5107.8169.4-70.5177.6179.9173.10105.5R123 K127 M129R123-K125 PolarHBondContact O-N 2.91Å; K125-K127 PolarHBondContact O-N 2.8Å; K125-M129 HydrophobicContact CG-CE 4.3Å
126G57.9Low66.9Low47 Ų47119.1 Ų119.149%0.48557%0.566SS.*  trans-51.7142.6179.800000108.8P124 N128 M129P124-G126 PolarHBondContact O-N 3.14Å; G126-N128 PolarHBondContact O-N 2.81Å; G126-M129 PolarHBondContact O-N 3.44Å
127K55.3Low65.9Low182 Ų182117.1 Ų117.179%0.79156%0.56SS**THydrogen-bonded Turntrans-56.8-13.1-171-64.7-175.6178.7-177.70114.2K125K125-K127 PolarHBondContact O-N 2.8Å
128N56Low65.4Low147 Ų147121 Ų12179%0.78657%0.574SS**THydrogen-bonded Turntrans-90.9-3.3172.4-78.5-20.4000116.4G126G126-N128 PolarHBondContact O-N 2.81Å
129M53.6Low65.2Low89 Ų89114.6 Ų114.644%0.43854%0.541SS..G310 helixtrans-87.9-3173.9-157.3157.883.900113.9K125 G126 R132K125-M129 HydrophobicContact CG-CE 4.3Å; G126-M129 PolarHBondContact O-N 3.44Å; M129-R132 HydrophobicContact CG-CG 3.89Å
130Q55.3Low65.1Low163 Ų163120.9 Ų120.976%0.76256%0.564SS**G310 helixtrans-91.3-3.9169.4-73.4168.5-49.400113.1R132Q130-R132 VanDerWaalsContact C-N 3.32Å
131K51.9Low65.2Low183 Ų183121 Ų12180%0.79656%0.563SS**G310 helixtrans-94.923.1164.6-124.7179.3-174-179.30112.2R133K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.93Å
132R53.2Low65.6Low196 Ų196115.6 Ų115.674%0.7454%0.542SS*.SBendtrans-69.389.3175.7-93.6-166.4168.1-155.1-3.3110.7M129 Q130M129-R132 HydrophobicContact CG-CG 3.89Å; Q130-R132 VanDerWaalsContact C-N 3.32Å
133R55.8Low66.2Low140 Ų140107 Ų10753%0.52852%0.519SS..  trans54.1107.7173.2-59.7-168.8-176.6-142.66.5114.2K131 K135 L145K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.93Å; R133-K135 PolarHBondContact O-N 3.33Å; R133-L145 PolarHBondContact NH1-O 3.32Å
134S57.6Low66.8Low102 Ų102100.5 Ų100.571%0.71350%0.501SS*.  trans-43.9132.7164.3-530000110.1G136 D137S134-G136 PolarHBondContact O-N 3.26Å; S134-D137 PolarHBondContact O-N 3.31Å; S134-D137 VanDerWaalsContact O-N 3.12Å
135K55.4Low67.7Low192 Ų192101.8 Ų101.884%0.83550%0.504SS*.THydrogen-bonded Turntrans-63.276.4179.3-177.5177177.9175.60110.4R133R133-K135 PolarHBondContact O-N 3.33Å
136G58.3Low68.7Low34 Ų34101.5 Ų101.535%0.35151%0.51SS..THydrogen-bonded Turntrans166.9-17.6-167.500000115.3S134 R138S134-G136 PolarHBondContact O-N 3.26Å; G136-R138 PolarHBondContact O-N 3.03Å
137D72.3Confident70Confident69 Ų69101.9 Ų101.937%0.36950%0.499SS..  trans-79.654.5-177.3-155.526.4000112.9S134 H148S134-D137 PolarHBondContact O-N 3.31Å; S134-D137 VanDerWaalsContact O-N 3.12Å; D137-H148 IonicContact OD1-CE1 2.67Å; D137-H148 PolarHBondContact OD1-CE1 2.88Å; D137-H148 IonicContact OD1-NE2 2.69Å
138R83.9Confident71.5Confident92 Ų9297.1 Ų97.135%0.34748%0.479SS..SBendtrans-129.4139.6174.7-65-165.7-73.8176.4-3.1109G136 Y140 L145 H162 Q165G136-R138 PolarHBondContact O-N 3.03Å; R138-Y140 PolarHBondContact O-N 3.43Å; R138-Y140 VanDerWaalsContact O-N 3.11Å; R138-L145 HydrophobicContact CG-CD2 3.85Å; R138-H162 PolarHBondContact NH2-O 3.44Å; R138-Q165 VanDerWaalsContact NH1-OE1 3.16Å
139C85.8Confident73.1Confident4 Ų492.1 Ų92.13%0.02746%0.459CS..  trans-53.4117.7173.6176.40000111.1N141 C142 G143 G144 H147 C152C139-N141 PolarHBondContact O-N 3.26Å; C139-N141 VanDerWaalsContact O-N 3.1Å; C139-C142 PolarHBondContact O-N 3.5Å; C139-C142 PolarHBondContact SG-SG 3.36Å; C139-G143 VanDerWaalsContact O-CA 3.28Å; C139-G143 WeakPolarHBondContact O-CA 3.39Å; C139-G143 PolarHBondContact O-N 2.88Å; C139-G144 PolarHBondContact N-O 2.8Å; C139-H147 WeakPolarHBondContact CB-O 3.38Å; C139-H147 PolarHBondContact SG-NE2 2.86Å; C139-H147 VanDerWaalsContact SG-NE2 3.43Å; C139-C152 VanDerWaalsContact SG-SG 3.66Å
140Y86.3Confident74.8Confident138 Ų13896.4 Ų96.454%0.54148%0.475SS..THydrogen-bonded Turntrans-64.8-13.9-179.6-58.9-60.6000114.7R138 A149 H162R138-Y140 PolarHBondContact O-N 3.43Å; R138-Y140 VanDerWaalsContact O-N 3.11Å; Y140-A149 HydrophobicContact CD2-CB 4.41Å; Y140-H162 AromaticContact CD1-CE1 3.38Å; Y140-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y140-H162 AromaticContact CD1-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CD1-ND1 3.28Å; Y140-H162 AromaticContact CE1-CE1 3.7Å; Y140-H162 AromaticContact CE1-ND1 3.54Å
141N87.9Confident76.4Confident24 Ų2493.4 Ų93.413%0.12846%0.461CS..THydrogen-bonded Turntrans-88.2-54.1177.2-163.140000111.9C139 A149 C152 L154 P155 Q157C139-N141 PolarHBondContact O-N 3.26Å; C139-N141 VanDerWaalsContact O-N 3.1Å; N141-A149 HydrophobicContact CB-CB 4.4Å; N141-C152 HydrophobicContact CB-CB 4.03Å; N141-C152 PolarHBondContact ND2-SG 3.47Å; N141-C152 VanDerWaalsContact ND2-SG 3.44Å; N141-L154 PolarHBondContact ND2-O 3.11Å; N141-P155 PolarHBondContact ND2-O 2.85Å; N141-P155 VanDerWaalsContact ND2-O 3.15Å; N141-Q157 WeakPolarHBondContact O-CB 3.49Å; N141-Q157 WeakPolarHBondContact OD1-CB 3.32Å; N141-Q157 PolarHBondContact OD1-N 3.12Å
142C87.6Confident78.2Confident44 Ų4485.7 Ų85.730%0.29743%0.43SS..THydrogen-bonded Turntrans-113.9-13-171.473.40000115.5C139 G144 H147 C152 L154C139-C142 PolarHBondContact O-N 3.5Å; C139-C142 PolarHBondContact SG-SG 3.36Å; C142-G144 VanDerWaalsContact C-N 3.34Å; C142-G144 PolarHBondContact SG-N 3.32Å; C142-H147 PolarHBondContact SG-CE1 3.36Å; C142-H147 PolarHBondContact SG-NE2 3.38Å; C142-C152 VanDerWaalsContact SG-SG 3.69Å; C142-L154 HydrophobicContact CB-CD1 3.71Å
143G82.2Confident80.1Confident30 Ų3086.3 Ų86.331%0.30944%0.438SS..  trans84.1-2.6-174.900000115.7C139C139-G143 VanDerWaalsContact O-CA 3.28Å; C139-G143 WeakPolarHBondContact O-CA 3.39Å; C139-G143 PolarHBondContact O-N 2.88Å
144G83.1Confident81.6Confident22 Ų2284.2 Ų84.223%0.22744%0.436CS..  trans-58.6154.8179.400000114.4C139 C142C139-G144 PolarHBondContact N-O 2.8Å; C142-G144 VanDerWaalsContact C-N 3.34Å; C142-G144 PolarHBondContact SG-N 3.32Å
145L81.6Confident83.2Confident89 Ų8983.6 Ų83.647%0.46643%0.43SS..SBendtrans-99.3-6.3-169.3-63.1-172.8000115R133 R138R133-L145 PolarHBondContact NH1-O 3.32Å; R138-L145 HydrophobicContact CG-CD2 3.85Å
146D81.5Confident84.9Confident144 Ų14480.5 Ų80.577%0.7743%0.429SS*.SBendtrans-124.29.7-164.3-46-65.8000113.1
147H86.1Confident86.4Confident55 Ų5582.5 Ų82.526%0.25543%0.43SS..SBendtrans-158.7158175.963.2-84.9000111.3C139 C142 E151 C152C139-H147 WeakPolarHBondContact CB-O 3.38Å; C139-H147 PolarHBondContact SG-NE2 2.86Å; C139-H147 VanDerWaalsContact SG-NE2 3.43Å; C142-H147 PolarHBondContact SG-CE1 3.36Å; C142-H147 PolarHBondContact SG-NE2 3.38Å; H147-E151 HydrophobicContact CB-CB 4.01Å; H147-C152 PolarHBondContact NE2-SG 3.49Å; H147-C152 VanDerWaalsContact NE2-SG 3.36Å
148H87.1Confident87.1Confident83 Ų8383 Ų8338%0.38444%0.437SS..  trans-90.4165.3171.5-81.472.2000111.9D137 K150 E151 C152D137-H148 IonicContact OD1-CE1 2.67Å; D137-H148 PolarHBondContact OD1-CE1 2.88Å; D137-H148 IonicContact OD1-NE2 2.69Å; H148-K150 HydrophobicContact CB-CG 4.12Å; H148-K150 PolarHBondContact O-N 3.08Å; H148-K150 VanDerWaalsContact O-N 3.08Å; H148-E151 PolarHBondContact N-OE2 2.76Å; H148-E151 CarbonylContact O-C 3.6Å; H148-E151 PolarHBondContact O-N 2.91Å; H148-C152 PolarHBondContact O-N 3.15Å
149A88.2Confident87.3Confident42 Ų4287 Ų8735%0.34746%0.457SS..G310 helixtrans-56.3-30.4-17800000114Y140 N141 E151 C152Y140-A149 HydrophobicContact CD2-CB 4.41Å; N141-A149 HydrophobicContact CB-CB 4.4Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 3.14Å; A149-C152 VanDerWaalsContact O-CB 3.32Å; A149-C152 WeakPolarHBondContact O-CB 3.48Å; A149-C152 PolarHBondContact O-N 3.04Å
150K89.9Confident87.5Confident179 Ų17990.5 Ų90.578%0.77847%0.471SS*.G310 helixtrans-66.4-20.1174.569.9-171.9-170.2-177.50114.6H148H148-K150 HydrophobicContact CB-CG 4.12Å; H148-K150 PolarHBondContact O-N 3.08Å; H148-K150 VanDerWaalsContact O-N 3.08Å
151E88.4Confident87.5Confident99 Ų9983.9 Ų83.946%0.46345%0.445SS..G310 helixtrans-108.87.1178.7-69.5138.4-153.600111.4H147 H148 A149 K153H147-E151 HydrophobicContact CB-CB 4.01Å; H148-E151 PolarHBondContact N-OE2 2.76Å; H148-E151 CarbonylContact O-C 3.6Å; H148-E151 PolarHBondContact O-N 2.91Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 3.14Å; E151-K153 PolarHBondContact O-N 3.1Å
152C90.3Very high87.4Confident22 Ų2288 Ų8815%0.14946%0.463CS..  trans-74.6120.5-174.9-164.70000111.2C139 N141 C142 H147 H148 A149 L154C139-C152 VanDerWaalsContact SG-SG 3.66Å; N141-C152 HydrophobicContact CB-CB 4.03Å; N141-C152 PolarHBondContact ND2-SG 3.47Å; N141-C152 VanDerWaalsContact ND2-SG 3.44Å; C142-C152 VanDerWaalsContact SG-SG 3.69Å; H147-C152 PolarHBondContact NE2-SG 3.49Å; H147-C152 VanDerWaalsContact NE2-SG 3.36Å; H148-C152 PolarHBondContact O-N 3.15Å; A149-C152 VanDerWaalsContact O-CB 3.32Å; A149-C152 WeakPolarHBondContact O-CB 3.48Å; A149-C152 PolarHBondContact O-N 3.04Å; C152-L154 PolarHBondContact O-N 3.5Å
153K92.1Very high87.2Confident209 Ų20988.2 Ų88.291%0.90946%0.459SS*.  trans-73.6-9.3178.8-56.3-178.5-176.5-178.80114E151E151-K153 PolarHBondContact O-N 3.1Å
154L88.5Confident87.3Confident95 Ų9588.4 Ų88.450%0.49746%0.456SS..SBendtrans-86.3146.4175.5-61.7-172.1000110.4N141 C142 C152N141-L154 PolarHBondContact ND2-O 3.11Å; C142-L154 HydrophobicContact CB-CD1 3.71Å; C152-L154 PolarHBondContact O-N 3.5Å
155P90.3Very high87.4Confident89 Ų8992.6 Ų92.658%0.57847%0.469SS*.PPolyproline II helixtrans-58.5157.7172.326.2-34.7000111.1N141 Q157N141-P155 PolarHBondContact ND2-O 2.85Å; N141-P155 VanDerWaalsContact ND2-O 3.15Å; P155-Q157 PolarHBondContact O-N 3.5Å; P155-Q157 VanDerWaalsContact O-N 3.14Å; P155-Q157 PolarHBondContact O-NE2 2.7Å
156P91Very high87.7Confident127 Ų12790 Ų9083%0.82546%0.459SS*.PPolyproline II helixtrans-52.5119.7179-27.736000112.5
157Q89.4Confident88.1Confident77 Ų7788.3 Ų88.336%0.3645%0.449SS..PPolyproline II helixtrans-93155.5179.6-62.2-57.6-6600110.4N141 P155 K159N141-Q157 WeakPolarHBondContact O-CB 3.49Å; N141-Q157 WeakPolarHBondContact OD1-CB 3.32Å; N141-Q157 PolarHBondContact OD1-N 3.12Å; P155-Q157 PolarHBondContact O-N 3.5Å; P155-Q157 VanDerWaalsContact O-N 3.14Å; P155-Q157 PolarHBondContact O-NE2 2.7Å; Q157-K159 PolarHBondContact O-N 3.21Å
158P88.8Confident88.3Confident79 Ų7990.8 Ų90.851%0.51347%0.472SS..PPolyproline II helixtrans-55.9135.6171.923.4-34.2000110.6K160 I167P158-K160 PolarHBondContact O-N 2.81Å; P158-I167 HydrophobicContact CB-CG2 4.25Å; P158-I167 HydrophobicContact CG-CG2 4.04Å
159K87Confident88.5Confident176 Ų17688.9 Ų88.977%0.76546%0.464SS*.PPolyproline II helixtrans-59.8133.3-178.3-68.7-179.2-179.6175.40110.2Q157Q157-K159 PolarHBondContact O-N 3.21Å
160K89.6Confident88.6Confident77 Ų7792.9 Ų92.934%0.33548%0.476SS..  trans-111.5146.2-177.8-69.2165.8-168.7172.10110.8P158 H162 Q165 S166 I167P158-K160 PolarHBondContact O-N 2.81Å; K160-H162 PolarHBondContact O-N 3.39Å; K160-H162 VanDerWaalsContact O-N 3.13Å; K160-Q165 WeakPolarHBondContact CG-O 3.38Å; K160-S166 CarbonylContact C-O 3.53Å; K160-S166 WeakPolarHBondContact CA-O 3.21Å; K160-I167 HydrophobicContact CD-CG2 4.45Å; K160-I167 HydrophobicContact CG-CG2 3.69Å
161C87.4Confident88.5Confident0 Ų086.5 Ų86.50%045%0.453CS..  trans-54.7117168.1179.90000110.4F163 Q165 S166 H169C161-F163 PolarHBondContact O-N 2.8Å; C161-Q165 WeakPolarHBondContact O-CA 3.46Å; C161-Q165 PolarHBondContact O-N 3.18Å; C161-S166 PolarHBondContact N-O 3.43Å; C161-H169 WeakPolarHBondContact CB-O 3.41Å
162H85.8Confident88.6Confident109 Ų10986.2 Ų86.251%0.50547%0.467SS..THydrogen-bonded Turntrans-59.2-16.3179.3-57-81.5000114.1R138 Y140 K160 V171R138-H162 PolarHBondContact NH2-O 3.44Å; Y140-H162 AromaticContact CD1-CE1 3.38Å; Y140-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y140-H162 AromaticContact CD1-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CD1-ND1 3.28Å; Y140-H162 AromaticContact CE1-CE1 3.7Å; Y140-H162 AromaticContact CE1-ND1 3.54Å; K160-H162 PolarHBondContact O-N 3.39Å; K160-H162 VanDerWaalsContact O-N 3.13Å; H162-V171 HydrophobicContact CB-CB 4.45Å
163F83Confident88.6Confident49 Ų4989.6 Ų89.622%0.21549%0.491CS..THydrogen-bonded Turntrans-90.8-65178-172.9-96.1000112.4C161 V171 L176 K177 Q180C161-F163 PolarHBondContact O-N 2.8Å; F163-V171 HydrophobicContact CB-CG2 3.95Å; F163-L176 HydrophobicContact CD1-CB 4.27Å; F163-L176 HydrophobicContact CE1-CB 3.88Å; F163-K177 HydrophobicContact CD1-CB 3.95Å; F163-K177 HydrophobicContact CD2-CB 4.45Å; F163-K177 HydrophobicContact CD2-CG 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.23Å; F163-K177 HydrophobicContact CG-CB 4.08Å; F163-K177 HydrophobicContact CG-CG 4.43Å; F163-Q180 VanDerWaalsContact CZ-OE1 3.3Å
164C85.3Confident88.5Confident35 Ų3579.8 Ų79.824%0.23645%0.448CS..THydrogen-bonded Turntrans-101.6-2.2-174.269.80000115.5S166 H169 C174 L176C164-S166 PolarHBondContact O-N 3.13Å; C164-H169 PolarHBondContact SG-NE2 3.49Å; C164-C174 PolarHBondContact SG-SG 3.2Å; C164-L176 HydrophobicContact CB-CD1 3.78Å
165Q84.6Confident88.5Confident109 Ų10978.5 Ų78.551%0.50945%0.446SS..  trans67.46.2-179.9-58.3154.6103.400116.1R138 K160 C161R138-Q165 VanDerWaalsContact NH1-OE1 3.16Å; K160-Q165 WeakPolarHBondContact CG-O 3.38Å; C161-Q165 WeakPolarHBondContact O-CA 3.46Å; C161-Q165 PolarHBondContact O-N 3.18Å
166S87.9Confident88.3Confident35 Ų3578.4 Ų78.425%0.24544%0.44CS..  trans-60.2141.5170.6-179.40000112.2K160 C161 C164 S168 H169K160-S166 CarbonylContact C-O 3.53Å; K160-S166 WeakPolarHBondContact CA-O 3.21Å; C161-S166 PolarHBondContact N-O 3.43Å; C164-S166 PolarHBondContact O-N 3.13Å; S166-S168 PolarHBondContact OG-N 3.34Å; S166-H169 VanDerWaalsContact CB-CE1 3.46Å; S166-H169 WeakPolarHBondContact CB-CE1 3.35Å
167I88.9Confident88Confident108 Ų10877.2 Ų77.255%0.55442%0.422SS*.SBendtrans-83.9-14.9172.556170.9000113.4P158 K160P158-I167 HydrophobicContact CB-CG2 4.25Å; P158-I167 HydrophobicContact CG-CG2 4.04Å; K160-I167 HydrophobicContact CD-CG2 4.45Å; K160-I167 HydrophobicContact CG-CG2 3.69Å
168S91.3Very high87.7Confident107 Ų10777.7 Ų77.775%0.74844%0.439SS*.SBendtrans-83.4-14.7-170.3-46.80000113.8S166S166-S168 PolarHBondContact OG-N 3.34Å
169H90.3Very high87.4Confident44 Ų4481 Ų8120%0.20445%0.448CS..SBendtrans-152.4158.1-17960.1-98000111.3C161 C164 S166 C174C161-H169 WeakPolarHBondContact CB-O 3.41Å; C164-H169 PolarHBondContact SG-NE2 3.49Å; S166-H169 VanDerWaalsContact CB-CE1 3.46Å; S166-H169 WeakPolarHBondContact CB-CE1 3.35Å; H169-C174 VanDerWaalsContact CD2-CA 3.48Å; H169-C174 WeakPolarHBondContact CD2-CA 3.49Å; H169-C174 PolarHBondContact NE2-SG 2.96Å
170M90.3Very high86.5Confident125 Ų12578.7 Ų78.762%0.61644%0.439SS*.  trans-92.1169.2170.8-65.5-165.6-66.900111.6A172 S173 C174M170-A172 PolarHBondContact O-N 3.32Å; M170-S173 PolarHBondContact O-N 3Å; M170-C174 PolarHBondContact O-N 3.3Å
171V88.9Confident85Confident46 Ų4677.4 Ų77.428%0.27945%0.448SS..G310 helixtrans-58.7-20.8-176.767.40000114.8H162 F163 K177H162-V171 HydrophobicContact CB-CB 4.45Å; F163-V171 HydrophobicContact CB-CG2 3.95Å; V171-K177 HydrophobicContact CG2-CD 3.78Å; V171-K177 WeakPolarHBondContact O-CD 3.48Å
172A89.2Confident83.3Confident93 Ų9384 Ų8477%0.76949%0.49SS*.G310 helixtrans-69.2-32.7174.100000113M170M170-A172 PolarHBondContact O-N 3.32Å
173S90.8Very high81.4Confident92 Ų9284.1 Ų84.164%0.64350%0.504SS*.G310 helixtrans-113.526-175.9-45.90000111.8M170 P175M170-S173 PolarHBondContact O-N 3Å; S173-P175 WeakPolarHBondContact O-CD 3.37Å
174C90.3Very high79.7Confident3 Ų386.7 Ų86.72%0.0253%0.534CS..  trans-83.5114.3-175.3-175.60000111.3C164 H169 M170 L176 K177 A178C164-C174 PolarHBondContact SG-SG 3.2Å; H169-C174 VanDerWaalsContact CD2-CA 3.48Å; H169-C174 WeakPolarHBondContact CD2-CA 3.49Å; H169-C174 PolarHBondContact NE2-SG 2.96Å; M170-C174 PolarHBondContact O-N 3.3Å; C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 3.44Å; C174-K177 HydrophobicContact CB-CB 3.86Å; C174-K177 WeakPolarHBondContact O-CB 3.48Å; C174-K177 PolarHBondContact O-N 3.31Å; C174-A178 PolarHBondContact O-N 3Å
175P88.8Confident78Confident68 Ų6894 Ų9444%0.44256%0.564SS.*Hα-helixtrans-62.8-38-176.624.7-33.4000111.8S173 K177 A178 Q179S173-P175 WeakPolarHBondContact O-CD 3.37Å; P175-K177 PolarHBondContact O-N 3.04Å; P175-A178 PolarHBondContact O-N 3.21Å; P175-Q179 VanDerWaalsContact O-CG 3.31Å; P175-Q179 WeakPolarHBondContact O-CG 3.31Å; P175-Q179 PolarHBondContact O-N 3.18Å
176L86.4Confident75.8Confident87 Ų8792.4 Ų92.446%0.45558%0.577SS.*Hα-helixtrans-67.3-22.3176.4-60.8178.4000113.5F163 C164 C174 Q180F163-L176 HydrophobicContact CD1-CB 4.27Å; F163-L176 HydrophobicContact CE1-CB 3.88Å; C164-L176 HydrophobicContact CB-CD1 3.78Å; C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 3.44Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å
177K84.7Confident73.5Confident103 Ų10399.4 Ų99.445%0.44860%0.603SS.*Hα-helixtrans-84-38.3172.4-170.9-171.5168.9-160.30111F163 V171 C174 P175 Q179 Q180F163-K177 HydrophobicContact CD1-CB 3.95Å; F163-K177 HydrophobicContact CD2-CB 4.45Å; F163-K177 HydrophobicContact CD2-CG 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.23Å; F163-K177 HydrophobicContact CG-CB 4.08Å; F163-K177 HydrophobicContact CG-CG 4.43Å; V171-K177 HydrophobicContact CG2-CD 3.78Å; V171-K177 WeakPolarHBondContact O-CD 3.48Å; C174-K177 HydrophobicContact CB-CB 3.86Å; C174-K177 WeakPolarHBondContact O-CB 3.48Å; C174-K177 PolarHBondContact O-N 3.31Å; P175-K177 PolarHBondContact O-N 3.04Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 2.96Å; K177-Q180 PolarHBondContact O-N 3.4Å
178A83.5Confident71.2Confident86 Ų86100.6 Ų100.671%0.71162%0.618SS**Hα-helixtrans-64.6-34.7177.100000112.6C174 P175 Q180C174-A178 PolarHBondContact O-N 3Å; P175-A178 PolarHBondContact O-N 3.21Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.31Å
179Q80.7Confident69Low150 Ų150102 Ų10270%0.70162%0.622SS**THydrogen-bonded Turntrans-71.4-18.4174.7-69.8167.43.600113.6P175 K177 G181P175-Q179 VanDerWaalsContact O-CG 3.31Å; P175-Q179 WeakPolarHBondContact O-CG 3.31Å; P175-Q179 PolarHBondContact O-N 3.18Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 2.96Å; Q179-G181 PolarHBondContact O-N 3.47Å
180Q69.7Low66.6Low127 Ų127109.5 Ų109.559%0.59365%0.65SS**SBendtrans-91.385.9173.5-68.9-175.212.800109.3F163 L176 K177 A178F163-Q180 VanDerWaalsContact CZ-OE1 3.3Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; K177-Q180 PolarHBondContact O-N 3.4Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.31Å
181G57Low64.2Low49 Ų49111 Ų11151%0.50565%0.654SS.*  trans-52.5158.3176.900000113.2Q179 S183Q179-G181 PolarHBondContact O-N 3.47Å; G181-S183 PolarHBondContact O-N 3.18Å
182P52.7Low61.8Low138 Ų138118.9 Ų118.990%0.89668%0.678SS**  trans-63.3102.6-172.826.8-34.5000110.8A184P182-A184 PolarHBondContact O-N 2.99Å
183S44.4Very low59.8Low113 Ų113120.8 Ų120.879%0.7967%0.671SS**  trans-62.8123.6171.7-67.30000109.2G181 Q185G181-S183 PolarHBondContact O-N 3.18Å; S183-Q185 PolarHBondContact O-N 2.88Å
184A48.5Very low57.6Low102 Ų102124.4 Ų124.484%0.84368%0.678SS**  trans-43.2115.6-169.700000114.2P182P182-A184 PolarHBondContact O-N 2.99Å
185Q48.3Very low55.7Low189 Ų189132.3 Ų132.388%0.88372%0.715SS**  trans-109.179.6158.6-71.9-166.7-19.900108.5S183 K187S183-Q185 PolarHBondContact O-N 2.88Å; Q185-K187 PolarHBondContact O-N 3.27Å
186G38.5Very low53.8Low75 Ų75138.9 Ų138.977%0.77374%0.739SS**  trans-62.9122.9168.100000110.3
187K40.9Very low51.8Low183 Ų183142.4 Ų142.480%0.79675%0.753SS**  trans-128117.4157.4-79.8-175174.8-177.10106.8Q185 T189Q185-K187 PolarHBondContact O-N 3.27Å; K187-T189 PolarHBondContact O-N 3.23Å
188P40.9Very low50Low132 Ų132142.7 Ų142.786%0.85776%0.759SS**  trans-73.9109.716830-30000108
189T45.1Very low47.9Very low136 Ų136147 Ų14783%0.83476%0.764SS**  trans-82.2112165.445.60000108.2K187K187-T189 PolarHBondContact O-N 3.23Å
190Y38.7Very low46.2Very low202 Ų202145.2 Ų145.279%0.79277%0.768SS**  trans-74.4126.6177-169-94000109.7
191F40.8Very low45.3Very low158 Ų158145.3 Ų145.369%0.69378%0.78SS**  trans44.6125.2163.2-80.9-100.8000120.5
192R37.8Very low44.7Very low210 Ų210147.2 Ų147.279%0.79279%0.79SS**  -156.8156.2111.4-147165.868.8160.77.4110.8
193E47.5Very low44.6Very low134 Ų134149 Ų14963%0.62679%0.791SS**  trans-58.7161.3176.5-5695.7142.900111.8
194E44.7Very low45.2Very low168 Ų168151 Ų15179%0.78579%0.792SS**  -147.1139.780.9-80.8135.3174.300114.5
195E49.8Very low45.6Very low169 Ų169151.6 Ų151.679%0.7979%0.788SS**  trans-41.8142.515657-146.640.600116.8
196E49Very low46.1Very low205 Ų205152 Ų15296%0.95879%0.79SS**  trans-154.6157139.4-83.1-140.8108.100109.7
197E45.3Very low46.9Very low161 Ų161154.4 Ų154.475%0.75279%0.789SS**  trans-133.2167.8-149.4-131.2-82.284.800111.9
198I45.2Very low47.7Very low110 Ų110154.5 Ų154.556%0.56479%0.793SS**  trans68.9111.2165.5-31119.9000117.8
199H41.3Very low48.1Very low177 Ų177159.2 Ų159.282%0.81981%0.811SS**  -179.8107.3103.7-92.191.3000113.1
200S43.4Very low48.3Very low111 Ų111160.4 Ų160.478%0.77681%0.81SS**  trans-66.4163159.8-53.10000111
201P51Low48.8Very low130 Ų130158.2 Ų158.284%0.84481%0.81SS**  -138.2163.490.332.8-17.3000114.9
202A45.7Very low49.2Very low88 Ų88158.2 Ų158.273%0.72782%0.817SS**  trans-79.8155.7-17600000113.7
203L48.8Very low49.9Very low176 Ų176155.2 Ų155.292%0.92182%0.818SS**  trans-112.1126.2157.7-76.7169.6000108.9
204L58.1Low50Low154 Ų154156.5 Ų156.581%0.80683%0.83SS**PPolyproline II helixtrans-83152.4178.5-67.3167.4000110.7
205P56.2Low50.4Low116 Ų116155.7 Ų155.775%0.75383%0.834SS**PPolyproline II helixtrans-80.2119.816731.7-30.3000110.1
206E60.3Low50.4Low198 Ų198154.8 Ų154.893%0.92584%0.837SS**PPolyproline II helixtrans-82.2126171.2-67.8-171104.900110.8
207T53.9Low50.5Low124 Ų124150.9 Ų150.976%0.76183%0.827SS**PPolyproline II helixtrans-103.1143.4170.951.50000110.8
208Q57.8Low51Low186 Ų186150.1 Ų150.187%0.86983%0.834SS**  trans87.4106.1145.6-158.3168.411.700119.1
209N50Low51.5Low231 Ų231153.7 Ų153.7100%1.23586%0.858SS**  -142.40114.2-160.1-20.9000108.5

Retrieved 209 of 209 residues in 67.7 ms (Link to these results)