A0A087XXP2_POEFO Loading...

Cleavage and polyadenylation specificity factor subunit 3

AlphaFold DB , UniProt , Accession A0A087XXP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 690 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
1M36.6Very low42.1Very low252 Ų252161.8 Ų161.8100%1.24185%0.853SS**  097.70-74.8-161.2-106.400108.3
2A31Very low44.6Very low102 Ų102154.7 Ų154.784%0.84382%0.823SS**  trans-96.8114.8175.100000107.9K4A2-K4 PolarHBondContact O-N 3.31Å; A2-K4 VanDerWaalsContact O-N 3.11Å
3S37.8Very low46.7Very low114 Ų114147.8 Ų147.880%0.79780%0.801SS**  trans-66.3108172.457.90000108.5R5S3-R5 PolarHBondContact O-N 2.98Å
4K39.2Very low48.5Very low206 Ų206143.9 Ų143.990%0.89678%0.775SS**  trans-56110.7164.6-87.1-179.9171.3178.90107.7A2 K6A2-K4 PolarHBondContact O-N 3.31Å; A2-K4 VanDerWaalsContact O-N 3.11Å; K4-K6 PolarHBondContact O-N 2.89Å
5R37Very low50.1Low239 Ų239140.1 Ų140.190%0.90275%0.75SS**PPolyproline II helixtrans-53124.6160.8-83179.1171.5173.3-4.2106.8S3 A7S3-R5 PolarHBondContact O-N 2.98Å; R5-A7 PolarHBondContact O-N 3.05Å
6K39.1Very low52.1Low199 Ų199133.1 Ų133.187%0.86572%0.716SS**PPolyproline II helixtrans-52.9125.5165.2-84.3179.7171.7-179.70106.5K4 D8K4-K6 PolarHBondContact O-N 2.89Å; K6-D8 PolarHBondContact O-N 3.01Å
7A39.6Very low54.2Low91 Ų91128.5 Ų128.575%0.75269%0.691SS**PPolyproline II helixtrans-58125.6167.200000107.2R5 M9R5-A7 PolarHBondContact O-N 3.05Å; A7-M9 PolarHBondContact O-N 3.33Å
8D41.8Very low56.3Low155 Ų155127.6 Ų127.683%0.82968%0.682SS**  trans-55.4111.6169.8-70.8-44.2000107.1K6 V10K6-D8 PolarHBondContact O-N 3.01Å; D8-V10 PolarHBondContact O-N 2.68Å
9M44.3Very low58.4Low177 Ų177121.1 Ų121.187%0.87265%0.647SS**  trans-62.2109.1171.5-76.7177.36600106.5A7 I11A7-M9 PolarHBondContact O-N 3.33Å; M9-I11 PolarHBondContact O-N 2.81Å
10V52.5Low60.4Low135 Ų135116.7 Ų116.782%0.81862%0.623SS**  trans-62.9102.2172.5179.90000106.8D8 P12D8-V10 PolarHBondContact O-N 2.68Å; V10-P12 WeakPolarHBondContact O-CD 3.37Å
11I63.7Low62.2Low110 Ų110111.1 Ų111.156%0.56459%0.594SS**  trans-65.2123.8174.1-58.7174.9000106.1M9 A13 E15M9-I11 PolarHBondContact O-N 2.81Å; I11-A13 PolarHBondContact O-N 3.39Å; I11-E15 HydrophobicContact CG2-CB 3.85Å
12P73Confident65.1Low76 Ų76101.9 Ų101.949%0.49455%0.545SS..  trans-53.7141.3175.8-24.633.5000110.4V10 E14 E15 S16V10-P12 WeakPolarHBondContact O-CD 3.37Å; P12-E14 PolarHBondContact O-N 3.27Å; P12-E15 HydrophobicContact CB-CG 4.39Å; P12-E15 WeakPolarHBondContact O-CA 3.33Å; P12-E15 PolarHBondContact O-N 3.12Å; P12-S16 PolarHBondContact O-N 2.93Å
13A71.8Confident68.4Low66 Ų6697 Ų9755%0.54551%0.505SS..G310 helixtrans-54.6-32.8-176.900000112.9I11 E15 S16 K40 G41I11-A13 PolarHBondContact O-N 3.39Å; A13-E15 PolarHBondContact O-N 2.85Å; A13-S16 PolarHBondContact O-N 3.46Å; A13-K40 CarbonylContact O-C 3.6Å; A13-K40 VanDerWaalsContact O-CA 3.31Å; A13-K40 WeakPolarHBondContact O-CA 3.45Å; A13-G41 PolarHBondContact O-N 2.81Å
14E71.1Confident71.3Confident92 Ų9291.6 Ų91.643%0.4347%0.467SS..G310 helixtrans-65.2-22.9175-62.5-168.7-175.600114.7P12 K494P12-E14 PolarHBondContact O-N 3.27Å; E14-K494 IonicContact OE2-NZ 3.31Å; E14-K494 PolarHBondContact OE2-NZ 2.94Å
15E72.7Confident74.1Confident87 Ų8781.8 Ų81.841%0.40742%0.424SS..G310 helixtrans-103.8-5.3-178.9-59.4-138121.800112.7I11 P12 A13 K469I11-E15 HydrophobicContact CG2-CB 3.85Å; P12-E15 HydrophobicContact CB-CG 4.39Å; P12-E15 WeakPolarHBondContact O-CA 3.33Å; P12-E15 PolarHBondContact O-N 3.12Å; A13-E15 PolarHBondContact O-N 2.85Å; E15-K469 IonicContact OE1-NZ 3.99Å; E15-K469 PolarHBondContact OE1-NZ 3.44Å
16S82.3Confident77Confident28 Ų2870.4 Ų70.420%0.19638%0.381CS..  trans-64.6139.2174.9-172.30000111P12 A13 Q18 K40P12-S16 PolarHBondContact O-N 2.93Å; A13-S16 PolarHBondContact O-N 3.46Å; S16-Q18 VanDerWaalsContact C-N 3.33Å; S16-Q18 PolarHBondContact OG-N 3.44Å; S16-Q18 VanDerWaalsContact OG-N 3.16Å; S16-K40 PolarHBondContact O-NZ 2.98Å
17D87.1Confident79.8Confident56 Ų5661.1 Ų61.130%0.29934%0.342SS..  trans-93.82.7171.3-71.9-24.4000111.9K40 N464 F465D17-K40 IonicContact OD1-NZ 3.41Å; D17-K40 PolarHBondContact OD1-NZ 3.38Å; D17-N464 CarbonylContact O-C 3.36Å; D17-N464 WeakPolarHBondContact O-CA 3.34Å; D17-F465 WeakPolarHBondContact CB-O 3.46Å; D17-F465 PolarHBondContact O-N 3.14Å
18Q92.6Very high82.6Confident111 Ų11158.2 Ų58.252%0.51931%0.313SS..EExtended strand (participates in β ladder)trans-83.7123.1174.9-71.6178.8-4.800110.9S16 F39 T462 L463 N464S16-Q18 VanDerWaalsContact C-N 3.33Å; S16-Q18 PolarHBondContact OG-N 3.44Å; S16-Q18 VanDerWaalsContact OG-N 3.16Å; Q18-F39 WeakPolarHBondContact O-CD2 3.47Å; Q18-T462 HydrophobicContact CB-CG2 4.37Å; Q18-T462 HydrophobicContact CG-CG2 4.18Å; Q18-L463 WeakPolarHBondContact CA-O 3.34Å; Q18-N464 VanDerWaalsContact CG-OD1 3.23Å; Q18-N464 WeakPolarHBondContact CG-OD1 3.49Å
19L95.9Very high85.2Confident4 Ų452.5 Ų52.52%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-101.2129.2166.8-174.5150.5000108.2I21 L37 E38 F39 V179 I207 L463 F465L19-I21 HydrophobicContact CD2-CD1 3.58Å; L19-I21 HydrophobicContact CD2-CG1 3.62Å; L19-L37 HydrophobicContact CD1-CD1 4.08Å; L19-L37 HydrophobicContact CD2-CD1 3.71Å; L19-L37 HydrophobicContact CG-CD1 3.84Å; L19-E38 WeakPolarHBondContact CA-O 3.4Å; L19-F39 HydrophobicContact CB-CB 4.36Å; L19-F39 HydrophobicContact CB-CD2 3.51Å; L19-F39 HydrophobicContact CB-CE2 3.98Å; L19-F39 HydrophobicContact CB-CG 4.08Å; L19-F39 HydrophobicContact CD1-CB 4.04Å; L19-F39 HydrophobicContact CD1-CD1 4.17Å; L19-F39 HydrophobicContact CD1-CD2 4.1Å; L19-F39 HydrophobicContact CD1-CG 3.86Å; L19-F39 HydrophobicContact CG-CB 4.01Å; L19-F39 HydrophobicContact CG-CD2 4.06Å; L19-F39 HydrophobicContact CG-CG 4.1Å; L19-V179 HydrophobicContact CD1-CG1 3.99Å; L19-I207 HydrophobicContact CD1-CD1 3.66Å; L19-I207 HydrophobicContact CD2-CD1 3.6Å; L19-I207 HydrophobicContact CG-CD1 4.28Å; L19-L463 PolarHBondContact N-O 3.14Å; L19-L463 PolarHBondContact O-N 3.02Å; L19-F465 HydrophobicContact CB-CD2 3.97Å; L19-F465 HydrophobicContact CB-CE2 4.32Å; L19-F465 HydrophobicContact CD1-CD2 4.21Å; L19-F465 HydrophobicContact CD1-CE2 4.26Å
20L97.9Very high87.7Confident34 Ų3444.6 Ų44.618%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-118.1127.4-178.4-172131.6000110R22 L37 E38 A460 V461L20-R22 HydrophobicContact CD2-CB 4.05Å; L20-L37 WeakPolarHBondContact O-CA 3.42Å; L20-E38 HydrophobicContact CB-CB 4.27Å; L20-E38 HydrophobicContact CD2-CG 4.29Å; L20-E38 PolarHBondContact N-O 3.4Å; L20-E38 PolarHBondContact O-N 3.35Å; L20-A460 HydrophobicContact CD1-CB 3.7Å; L20-A460 HydrophobicContact CD2-CB 4.06Å; L20-A460 HydrophobicContact CG-CB 3.83Å; L20-V461 WeakPolarHBondContact CA-O 3.48Å
21I98.7Very high89.6Confident0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-118.6122.1174-66.5162.7000108.2L19 I35 I36 L37 L181 I207 I209 I422 A460 V461L19-I21 HydrophobicContact CD2-CD1 3.58Å; L19-I21 HydrophobicContact CD2-CG1 3.62Å; I21-I35 HydrophobicContact CG2-CG2 3.71Å; I21-I36 CarbonylContact C-O 3.52Å; I21-I36 WeakPolarHBondContact CA-O 3.4Å; I21-L37 HydrophobicContact CD1-CD1 4.38Å; I21-L37 HydrophobicContact CG1-CD1 3.78Å; I21-L181 HydrophobicContact CD1-CD1 3.63Å; I21-L181 HydrophobicContact CG1-CD1 4.38Å; I21-I207 HydrophobicContact CD1-CD1 4.19Å; I21-I207 HydrophobicContact CD1-CG2 3.82Å; I21-I209 HydrophobicContact CD1-CD1 4.21Å; I21-I209 HydrophobicContact CG2-CD1 3.88Å; I21-I422 HydrophobicContact CB-CD1 4.09Å; I21-I422 HydrophobicContact CD1-CD1 3.25Å; I21-I422 HydrophobicContact CG1-CD1 4.25Å; I21-I422 HydrophobicContact CG2-CD1 4.01Å; I21-A460 CarbonylContact O-C 3.59Å; I21-A460 WeakPolarHBondContact O-CA 3.33Å; I21-V461 HydrophobicContact CB-CB 4.5Å; I21-V461 PolarHBondContact N-O 3.07Å; I21-V461 PolarHBondContact O-N 2.99Å
22R98.7Very high91.2Very high57 Ų5733.8 Ų33.822%0.21518%0.18CC..EExtended strand (participates in β ladder)trans-132.2111.5-177.5-175.5-176.2-62.2160.47.2110.3L20 L24 I36 A460L20-R22 HydrophobicContact CD2-CB 4.05Å; R22-L24 HydrophobicContact CG-CD2 4.2Å; R22-L24 PolarHBondContact O-N 2.96Å; R22-I36 PolarHBondContact N-O 2.93Å; R22-I36 PolarHBondContact O-N 2.8Å; R22-A460 HydrophobicContact CB-CB 4.48Å
23P98.7Very high92.5Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-66.2124.1166.9-11.926.4000109.6I35 V424 P455 N457 T458 E459P23-I35 HydrophobicContact CB-CG1 4.41Å; P23-V424 HydrophobicContact CG-CG1 4.47Å; P23-P455 HydrophobicContact CG-CB 4.04Å; P23-P455 HydrophobicContact CG-CG 3.6Å; P23-N457 CarbonylContact O-C 3.5Å; P23-N457 WeakPolarHBondContact O-CA 3.4Å; P23-T458 PolarHBondContact O-N 2.62Å; P23-E459 VanDerWaalsContact CD-O 3.31Å; P23-E459 WeakPolarHBondContact CD-O 3.26Å
24L98.6Very high93.8Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-92.9-10164.8-57.9-175.5000111.6R22 C34 I36 P61 Y62 I63 L65 I66R22-L24 HydrophobicContact CG-CD2 4.2Å; R22-L24 PolarHBondContact O-N 2.96Å; L24-C34 HydrophobicContact CB-CB 4.28Å; L24-C34 PolarHBondContact N-O 3.45Å; L24-I36 HydrophobicContact CD1-CD1 4.02Å; L24-I36 HydrophobicContact CD1-CG1 3.49Å; L24-I36 VanDerWaalsContact CD1-CG1 3.49Å; L24-I36 HydrophobicContact CG-CG1 3.77Å; L24-P61 HydrophobicContact CB-CB 4.09Å; L24-P61 WeakPolarHBondContact O-CA 3.47Å; L24-P61 WeakPolarHBondContact O-CB 3.49Å; L24-Y62 WeakPolarHBondContact O-CD2 3.16Å; L24-Y62 PolarHBondContact O-N 2.94Å; L24-I63 HydrophobicContact CD1-CD1 4.15Å; L24-L65 HydrophobicContact CD2-CB 4.22Å; L24-L65 HydrophobicContact CD2-CD1 4.14Å; L24-I66 HydrophobicContact CD1-CD1 3.99Å; L24-I66 HydrophobicContact CD1-CG1 4.02Å; L24-I66 HydrophobicContact CD1-CG2 4.19Å
25G98.1Very high95.1Very high0 Ų022.7 Ų22.70%011%0.111CC..EExtended strand (participates in β ladder)trans-162.7165.8170.200000109.7G27 R32 C34 N457G25-G27 PolarHBondContact O-N 2.65Å; G25-R32 VanDerWaalsContact CA-O 3.28Å; G25-R32 WeakPolarHBondContact CA-O 3.4Å; G25-C34 PolarHBondContact N-O 3.32Å; G25-C34 VanDerWaalsContact N-O 3.12Å; G25-N457 VanDerWaalsContact C-OD1 3.24Å; G25-N457 WeakPolarHBondContact CA-OD1 3.36Å; G25-N457 PolarHBondContact N-OD1 2.76Å
26A98.1Very high96.3Very high0 Ų018.6 Ų18.60%09%0.092CC..SBendtrans61.213.9-172.600000115.6Q28 E29 G31 S33 V424 H425 N457A26-Q28 PolarHBondContact O-N 2.85Å; A26-E29 CarbonylContact C-O 3.25Å; A26-E29 WeakPolarHBondContact CA-O 3.44Å; A26-E29 PolarHBondContact N-OE1 2.97Å; A26-G31 PolarHBondContact N-O 3.44Å; A26-S33 WeakPolarHBondContact CB-OG 3.35Å; A26-V424 CarbonylContact O-C 3.53Å; A26-H425 HydrophobicContact CB-CB 4.28Å; A26-H425 PolarHBondContact O-N 3.34Å; A26-N457 PolarHBondContact N-OD1 3.14Å
27G98.1Very high97.1Very high5 Ų517.3 Ų17.35%0.0528%0.083CC..SBendtrans-84.5103.2170.300000111.2G25 E29 P455 N457G25-G27 PolarHBondContact O-N 2.65Å; G27-E29 VanDerWaalsContact C-N 3.25Å; G27-E29 PolarHBondContact O-N 3.21Å; G27-P455 CarbonylContact C-O 3.58Å; G27-P455 VanDerWaalsContact CA-O 3.31Å; G27-P455 WeakPolarHBondContact CA-O 3.32Å; G27-N457 WeakPolarHBondContact CA-OD1 3.49Å; G27-N457 PolarHBondContact N-OD1 3.33Å; G27-N457 PolarHBondContact O-N 2.86Å
28Q97.9Very high97.6Very high29 Ų2917 Ų1714%0.1368%0.08CC..SBendtrans61.725.7-170.6-56.8-174-0.400114.7A26 G426 Q428 M431 N454 R456A26-Q28 PolarHBondContact O-N 2.85Å; Q28-G426 CarbonylContact C-O 3.53Å; Q28-Q428 HydrophobicContact CB-CB 4.13Å; Q28-Q428 HydrophobicContact CB-CG 4.29Å; Q28-Q428 PolarHBondContact O-N 3.21Å; Q28-M431 HydrophobicContact CB-SD 4.45Å; Q28-M431 HydrophobicContact CG-SD 3.91Å; Q28-N454 PolarHBondContact NE2-O 2.93Å; Q28-R456 HydrophobicContact CG-CG 4.02Å
29E96.9Very high97.7Very high36 Ų3612 Ų1217%0.1686%0.056CC..SBendtrans-146.2169.5172.668.9-176-177.500110.9A26 G27 R32 H425 G426 N457A26-E29 CarbonylContact C-O 3.25Å; A26-E29 WeakPolarHBondContact CA-O 3.44Å; A26-E29 PolarHBondContact N-OE1 2.97Å; G27-E29 VanDerWaalsContact C-N 3.25Å; G27-E29 PolarHBondContact O-N 3.21Å; E29-R32 IonicContact OE1-CZ 2.69Å; E29-R32 IonicContact OE1-NE 3.75Å; E29-R32 PolarHBondContact OE1-NE 2.88Å; E29-R32 IonicContact OE1-NH2 3.7Å; E29-R32 PolarHBondContact OE1-NH2 3.47Å; E29-R32 IonicContact OE2-CZ 3.86Å; E29-R32 IonicContact OE2-NE 3.65Å; E29-R32 IonicContact OE2-NH2 3.74Å; E29-R32 PolarHBondContact OE2-NH2 3.23Å; E29-H425 WeakPolarHBondContact O-CA 3.14Å; E29-G426 CarbonylContact C-O 2.93Å; E29-G426 WeakPolarHBondContact CA-O 3.3Å; E29-G426 PolarHBondContact N-O 2.99Å; E29-G426 PolarHBondContact O-N 3.26Å; E29-N457 PolarHBondContact OE1-ND2 3.02Å; E29-N457 PolarHBondContact OE2-ND2 3.27Å
30V96.4Very high97.4Very high11 Ų1112.6 Ų12.67%0.0676%0.059CC..SBendtrans-110.9126169.6176.30000108.1H51 Y364 V366V30-H51 PolarHBondContact O-NE2 3Å; V30-Y364 HydrophobicContact CB-CE1 3.95Å; V30-Y364 HydrophobicContact CG1-CD1 4.01Å; V30-Y364 HydrophobicContact CG1-CE1 3.74Å; V30-Y364 HydrophobicContact CG2-CE1 3.99Å; V30-V366 HydrophobicContact CG1-CG2 4.19Å
31G94.3Very high97.1Very high0 Ų012.8 Ų12.80%07%0.068CC..SBendtrans121.3157.5-174.100000113.4A26 S33A26-G31 PolarHBondContact N-O 3.44Å; G31-S33 PolarHBondContact O-N 2.95Å; G31-S33 VanDerWaalsContact O-N 3.15Å
32R97.3Very high96.9Very high17 Ų1715.4 Ų15.46%0.0648%0.078CC..SBendtrans4640177.860.1177.8171.1-170.3-2.1115.1G25 E29 C34 I50 H51 D58 L60 P61G25-R32 VanDerWaalsContact CA-O 3.28Å; G25-R32 WeakPolarHBondContact CA-O 3.4Å; E29-R32 IonicContact OE1-CZ 2.69Å; E29-R32 IonicContact OE1-NE 3.75Å; E29-R32 PolarHBondContact OE1-NE 2.88Å; E29-R32 IonicContact OE1-NH2 3.7Å; E29-R32 PolarHBondContact OE1-NH2 3.47Å; E29-R32 IonicContact OE2-CZ 3.86Å; E29-R32 IonicContact OE2-NE 3.65Å; E29-R32 IonicContact OE2-NH2 3.74Å; E29-R32 PolarHBondContact OE2-NH2 3.23Å; R32-C34 PolarHBondContact O-N 3.01Å; R32-C34 VanDerWaalsContact O-N 3.14Å; R32-I50 PolarHBondContact N-O 3.34Å; R32-H51 HydrophobicContact CB-CB 4.03Å; R32-H51 HydrophobicContact CG-CB 3.87Å; R32-D58 PolarHBondContact NH1-O 2.94Å; R32-D58 VanDerWaalsContact NH1-O 3.14Å; R32-L60 WeakPolarHBondContact CD-O 3.27Å; R32-L60 PolarHBondContact NH1-O 2.78Å; R32-P61 HydrophobicContact CB-CG 4.24Å
33S98.8Very high96.9Very high1 Ų114.7 Ų14.71%0.0078%0.077CC..  trans-50.4120.2178.5-62.10000111.1A26 G31 D47 C48 G49 D82 H83 H425A26-S33 WeakPolarHBondContact CB-OG 3.35Å; G31-S33 PolarHBondContact O-N 2.95Å; G31-S33 VanDerWaalsContact O-N 3.15Å; S33-D47 CarbonylContact O-C 3.18Å; S33-D47 VanDerWaalsContact O-C 3.3Å; S33-D47 WeakPolarHBondContact O-CB 3.25Å; S33-C48 PolarHBondContact O-N 3.02Å; S33-G49 PolarHBondContact O-N 2.97Å; S33-D82 WeakPolarHBondContact CA-O 3.43Å; S33-D82 WeakPolarHBondContact CB-O 3.26Å; S33-D82 PolarHBondContact N-O 2.96Å; S33-D82 PolarHBondContact OG-O 3.35Å; S33-H83 PolarHBondContact OG-CE1 3.11Å; S33-H83 VanDerWaalsContact OG-CE1 3.26Å; S33-H83 PolarHBondContact OG-NE2 3.39Å; S33-H425 PolarHBondContact OG-CD2 2.9Å
34C98.8Very high96.9Very high0 Ų014.7 Ų14.70%08%0.077CC..EExtended strand (participates in β ladder)trans-161.9113.3177.4-173.10000108.6L24 G25 R32 L46 P61L24-C34 HydrophobicContact CB-CB 4.28Å; L24-C34 PolarHBondContact N-O 3.45Å; G25-C34 PolarHBondContact N-O 3.32Å; G25-C34 VanDerWaalsContact N-O 3.12Å; R32-C34 PolarHBondContact O-N 3.01Å; R32-C34 VanDerWaalsContact O-N 3.14Å; C34-L46 WeakPolarHBondContact CA-O 3.23Å; C34-P61 HydrophobicContact CB-CB 3.59Å; C34-P61 HydrophobicContact CB-CG 3.55Å
35I98.9Very high96.9Very high1 Ų114.7 Ų14.71%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-123.3129.9-179-57.7123.3000109.5I21 P23 M45 L46 Y183 I209 V424I21-I35 HydrophobicContact CG2-CG2 3.71Å; P23-I35 HydrophobicContact CB-CG1 4.41Å; I35-M45 CarbonylContact O-C 3.56Å; I35-M45 WeakPolarHBondContact O-CA 3.34Å; I35-L46 HydrophobicContact CB-CB 4.27Å; I35-L46 PolarHBondContact N-O 2.92Å; I35-L46 PolarHBondContact O-N 2.81Å; I35-Y183 HydrophobicContact CD1-CD2 4.45Å; I35-Y183 HydrophobicContact CD1-CE2 3.69Å; I35-I209 HydrophobicContact CD1-CG2 4.38Å; I35-I209 HydrophobicContact CG2-CD1 4.16Å; I35-V424 HydrophobicContact CD1-CG1 4.27Å; I35-V424 HydrophobicContact CD1-CG2 4.24Å; I35-V424 HydrophobicContact CG1-CG1 4.32Å
36I98.7Very high96.9Very high0 Ų014.7 Ų14.70%08%0.077CC..EExtended strand (participates in β ladder)trans-95.8131.3174.8-59.6-61000109.7I21 R22 L24 E38 I44 M45 I66 I71I21-I36 CarbonylContact C-O 3.52Å; I21-I36 WeakPolarHBondContact CA-O 3.4Å; R22-I36 PolarHBondContact N-O 2.93Å; R22-I36 PolarHBondContact O-N 2.8Å; L24-I36 HydrophobicContact CD1-CD1 4.02Å; L24-I36 HydrophobicContact CD1-CG1 3.49Å; L24-I36 VanDerWaalsContact CD1-CG1 3.49Å; L24-I36 HydrophobicContact CG-CG1 3.77Å; I36-E38 HydrophobicContact CG2-CG 3.76Å; I36-I44 WeakPolarHBondContact CA-O 3.42Å; I36-M45 HydrophobicContact CD1-CB 3.86Å; I36-M45 HydrophobicContact CD1-CE 3.71Å; I36-M45 HydrophobicContact CD1-CG 3.93Å; I36-I66 HydrophobicContact CD1-CD1 3.84Å; I36-I66 HydrophobicContact CG1-CD1 4.45Å; I36-I66 HydrophobicContact CG1-CG2 4.18Å; I36-I71 HydrophobicContact CD1-CD1 4.14Å
37L98.3Very high97Very high2 Ų214.7 Ų14.71%0.018%0.077CC..EExtended strand (participates in β ladder)trans-117118.6172.816863.8000108.6L19 L20 I21 K43 I44 I174 L181L19-L37 HydrophobicContact CD1-CD1 4.08Å; L19-L37 HydrophobicContact CD2-CD1 3.71Å; L19-L37 HydrophobicContact CG-CD1 3.84Å; L20-L37 WeakPolarHBondContact O-CA 3.42Å; I21-L37 HydrophobicContact CD1-CD1 4.38Å; I21-L37 HydrophobicContact CG1-CD1 3.78Å; L37-K43 WeakPolarHBondContact O-CA 3.21Å; L37-I44 HydrophobicContact CB-CB 4.26Å; L37-I44 HydrophobicContact CD2-CB 4.49Å; L37-I44 HydrophobicContact CD2-CD1 4.1Å; L37-I44 PolarHBondContact N-O 3.02Å; L37-I44 PolarHBondContact O-N 3.01Å; L37-I174 HydrophobicContact CD2-CD1 4.44Å; L37-I174 HydrophobicContact CD2-CG2 4.49Å; L37-L181 HydrophobicContact CD1-CD1 4.08Å; L37-L181 HydrophobicContact CD2-CD1 4.07Å
38E97.3Very high97Very high50 Ų5014.5 Ų14.523%0.2347%0.074CC..EExtended strand (participates in β ladder)trans-116.2122.9175.5-46.6-172.4-156.100110L19 L20 I36 R42 K43L19-E38 WeakPolarHBondContact CA-O 3.4Å; L20-E38 HydrophobicContact CB-CB 4.27Å; L20-E38 HydrophobicContact CD2-CG 4.29Å; L20-E38 PolarHBondContact N-O 3.4Å; L20-E38 PolarHBondContact O-N 3.35Å; I36-E38 HydrophobicContact CG2-CG 3.76Å; E38-R42 WeakPolarHBondContact CA-O 3.47Å; E38-K43 HydrophobicContact CG-CD 4.44Å; E38-K43 HydrophobicContact CG-CG 4.08Å; E38-K43 WeakPolarHBondContact OE2-CE 3.3Å; E38-K43 IonicContact OE2-NZ 2.75Å
39F95.2Very high97Very high4 Ų413.1 Ų13.12%0.0187%0.068CC..EExtended strand (participates in β ladder)trans-154.8134.7174.4-171.5-130.1000111.6Q18 L19 G41 R42 I176 A177 V179 F465Q18-F39 WeakPolarHBondContact O-CD2 3.47Å; L19-F39 HydrophobicContact CB-CB 4.36Å; L19-F39 HydrophobicContact CB-CD2 3.51Å; L19-F39 HydrophobicContact CB-CE2 3.98Å; L19-F39 HydrophobicContact CB-CG 4.08Å; L19-F39 HydrophobicContact CD1-CB 4.04Å; L19-F39 HydrophobicContact CD1-CD1 4.17Å; L19-F39 HydrophobicContact CD1-CD2 4.1Å; L19-F39 HydrophobicContact CD1-CG 3.86Å; L19-F39 HydrophobicContact CG-CB 4.01Å; L19-F39 HydrophobicContact CG-CD2 4.06Å; L19-F39 HydrophobicContact CG-CG 4.1Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.07Å; F39-R42 PolarHBondContact N-O 3.48Å; F39-R42 WeakPolarHBondContact O-CB 3.27Å; F39-R42 PolarHBondContact O-N 2.86Å; F39-I176 HydrophobicContact CB-CD1 4.37Å; F39-I176 HydrophobicContact CD1-CB 3.88Å; F39-I176 HydrophobicContact CD1-CG2 3.64Å; F39-I176 HydrophobicContact CE1-CG2 4.31Å; F39-A177 HydrophobicContact CE1-CB 4.41Å; F39-V179 HydrophobicContact CE1-CB 4.03Å; F39-V179 HydrophobicContact CE1-CG2 3.68Å; F39-V179 HydrophobicContact CZ-CG2 3.81Å; F39-F465 HydrophobicContact CE2-CB 4.41Å; F39-F465 HydrophobicContact CZ-CB 4.08Å
40K90.3Very high97Very high18 Ų1811.5 Ų11.58%0.0786%0.061CC..THydrogen-bonded Turntrans46.846.8178.2-60.6-163.5175.9-59.90114.1A13 S16 D17 R42 A177 F497A13-K40 CarbonylContact O-C 3.6Å; A13-K40 VanDerWaalsContact O-CA 3.31Å; A13-K40 WeakPolarHBondContact O-CA 3.45Å; S16-K40 PolarHBondContact O-NZ 2.98Å; D17-K40 IonicContact OD1-NZ 3.41Å; D17-K40 PolarHBondContact OD1-NZ 3.38Å; K40-R42 VanDerWaalsContact C-N 3.26Å; K40-R42 PolarHBondContact O-N 3.19Å; K40-A177 HydrophobicContact CD-CB 3.66Å; K40-F497 HydrophobicContact CB-CD1 4.4Å; K40-F497 HydrophobicContact CB-CE1 3.49Å; K40-F497 VanDerWaalsContact CB-CE1 3.49Å; K40-F497 HydrophobicContact CB-CZ 3.93Å; K40-F497 HydrophobicContact CD-CD1 4.19Å; K40-F497 HydrophobicContact CD-CE1 4.09Å; K40-F497 HydrophobicContact CG-CE1 4.4Å
41G91.1Very high96.9Very high37 Ų3712 Ų1238%0.3816%0.062SC..THydrogen-bonded Turntrans73.911177.800000114.9A13 F39A13-G41 PolarHBondContact O-N 2.81Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.07Å
42R94.8Very high96.6Very high56 Ų5613.6 Ų13.621%0.2117%0.072CC..EExtended strand (participates in β ladder)trans-109.3142.8174-61-59.1178.1-143.8-7.2111.3E38 F39 K40 D72 A154 I156 F497E38-R42 WeakPolarHBondContact CA-O 3.47Å; F39-R42 PolarHBondContact N-O 3.48Å; F39-R42 WeakPolarHBondContact O-CB 3.27Å; F39-R42 PolarHBondContact O-N 2.86Å; K40-R42 VanDerWaalsContact C-N 3.26Å; K40-R42 PolarHBondContact O-N 3.19Å; R42-D72 VanDerWaalsContact CA-OD2 3.27Å; R42-D72 WeakPolarHBondContact CA-OD2 3.23Å; R42-D72 VanDerWaalsContact CD-OD2 3.32Å; R42-D72 WeakPolarHBondContact CD-OD2 3.37Å; R42-D72 IonicContact NH1-OD1 2.73Å; R42-A154 PolarHBondContact NE-O 3.44Å; R42-I156 HydrophobicContact CB-CD1 4.12Å; R42-I156 HydrophobicContact CB-CG1 4.27Å; R42-I156 HydrophobicContact CG-CD1 4.36Å; R42-I156 HydrophobicContact CG-CG1 4.23Å; R42-F497 HydrophobicContact CG-CE2 4.33Å; R42-F497 HydrophobicContact CG-CZ 3.92Å
43K98Very high96.2Very high42 Ų4213.7 Ų13.718%0.1838%0.079CC..EExtended strand (participates in β ladder)trans-123.9124.2177.4-61.1-170.5177.7-178.10110.8L37 E38 E70 I71 D72L37-K43 WeakPolarHBondContact O-CA 3.21Å; E38-K43 HydrophobicContact CG-CD 4.44Å; E38-K43 HydrophobicContact CG-CG 4.08Å; E38-K43 WeakPolarHBondContact OE2-CE 3.3Å; E38-K43 IonicContact OE2-NZ 2.75Å; K43-E70 HydrophobicContact CD-CB 4.12Å; K43-E70 IonicContact NZ-OE2 3.15Å; K43-E70 PolarHBondContact NZ-OE2 3.07Å; K43-I71 HydrophobicContact CB-CD1 3.87Å; K43-I71 HydrophobicContact CD-CD1 4.33Å; K43-D72 PolarHBondContact N-OD2 3.07Å; K43-D72 PolarHBondContact O-N 2.83Å
44I98.7Very high95.8Very high0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-120.3134.4179.8-53.7176.7000108.2I36 L37 L46 L73 I156 I174 I176I36-I44 WeakPolarHBondContact CA-O 3.42Å; L37-I44 HydrophobicContact CB-CB 4.26Å; L37-I44 HydrophobicContact CD2-CB 4.49Å; L37-I44 HydrophobicContact CD2-CD1 4.1Å; L37-I44 PolarHBondContact N-O 3.02Å; L37-I44 PolarHBondContact O-N 3.01Å; I44-L46 HydrophobicContact CG2-CD2 3.85Å; I44-L73 CarbonylContact C-O 3.6Å; I44-L73 WeakPolarHBondContact CA-O 3.45Å; I44-L73 HydrophobicContact CD1-CD2 4.4Å; I44-L73 HydrophobicContact CG1-CB 4.25Å; I44-L73 HydrophobicContact CG2-CB 4.25Å; I44-L73 HydrophobicContact CG2-CD2 4.35Å; I44-L73 HydrophobicContact CG2-CG 4.46Å; I44-I156 HydrophobicContact CD1-CB 4.4Å; I44-I156 HydrophobicContact CD1-CD1 3.75Å; I44-I156 HydrophobicContact CD1-CG1 4.04Å; I44-I156 HydrophobicContact CD1-CG2 3.52Å; I44-I156 HydrophobicContact CG1-CD1 3.76Å; I44-I174 HydrophobicContact CD1-CG2 3.73Å; I44-I174 HydrophobicContact CG2-CD1 4.49Å; I44-I176 HydrophobicContact CD1-CD1 3.72Å
45M98.9Very high95.2Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-104130.5169.5-177.1-176.8-75.700109.3I35 I36 C48 I63 I66 I71 L73 L74 L75 F90I35-M45 CarbonylContact O-C 3.56Å; I35-M45 WeakPolarHBondContact O-CA 3.34Å; I36-M45 HydrophobicContact CD1-CB 3.86Å; I36-M45 HydrophobicContact CD1-CE 3.71Å; I36-M45 HydrophobicContact CD1-CG 3.93Å; M45-C48 HydrophobicContact SD-CB 4.3Å; M45-I63 HydrophobicContact CE-CD1 3.91Å; M45-I66 HydrophobicContact CE-CD1 3.44Å; M45-I66 VanDerWaalsContact CE-CD1 3.44Å; M45-I71 HydrophobicContact CB-CG2 3.9Å; M45-L73 PolarHBondContact N-O 3.47Å; M45-L74 HydrophobicContact CB-CD1 3.78Å; M45-L74 HydrophobicContact CG-CD1 3.63Å; M45-L74 WeakPolarHBondContact O-CA 3.37Å; M45-L74 WeakPolarHBondContact O-CD1 3.46Å; M45-L74 HydrophobicContact SD-CD1 3.79Å; M45-L75 PolarHBondContact O-N 3.25Å; M45-F90 HydrophobicContact CE-CE1 4.19Å; M45-F90 HydrophobicContact CE-CE2 3.69Å; M45-F90 HydrophobicContact CE-CZ 3.49Å; M45-F90 VanDerWaalsContact CE-CZ 3.49Å; M45-F90 HydrophobicContact SD-CD1 4.44Å; M45-F90 HydrophobicContact SD-CE1 3.97Å; M45-F90 HydrophobicContact SD-CE2 4.28Å; M45-F90 HydrophobicContact SD-CZ 3.89Å
46L98.9Very high94.7Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-110.3116.1177.5-52.5174.6000108C34 I35 I44 L75 I174 L181 Y183 I209C34-L46 WeakPolarHBondContact CA-O 3.23Å; I35-L46 HydrophobicContact CB-CB 4.27Å; I35-L46 PolarHBondContact N-O 2.92Å; I35-L46 PolarHBondContact O-N 2.81Å; I44-L46 HydrophobicContact CG2-CD2 3.85Å; L46-L75 HydrophobicContact CD2-CB 4.18Å; L46-L75 HydrophobicContact CD2-CD1 4.1Å; L46-L75 HydrophobicContact CD2-CG 4.5Å; L46-I174 HydrophobicContact CD2-CD1 3.54Å; L46-L181 HydrophobicContact CD1-CD2 4.39Å; L46-Y183 HydrophobicContact CB-CD1 3.91Å; L46-Y183 HydrophobicContact CB-CE1 3.95Å; L46-Y183 HydrophobicContact CB-CG 4.38Å; L46-Y183 HydrophobicContact CD1-CD1 4.22Å; L46-Y183 HydrophobicContact CD1-CD2 4.4Å; L46-Y183 HydrophobicContact CD1-CG 3.93Å; L46-Y183 HydrophobicContact CD2-CD1 4.42Å; L46-Y183 HydrophobicContact CG-CD1 4.41Å; L46-I209 HydrophobicContact CD1-CD1 4.01Å
47D98.8Very high94.3Very high0 Ų031.3 Ų31.30%017%0.17CC..  trans57.7158.6-171.1-68.3-31.2000115.3S33 L75 I76 S77 H83 Y183S33-D47 CarbonylContact O-C 3.18Å; S33-D47 VanDerWaalsContact O-C 3.3Å; S33-D47 WeakPolarHBondContact O-CB 3.25Å; D47-L75 PolarHBondContact N-O 3.25Å; D47-I76 VanDerWaalsContact OD1-CA 3.27Å; D47-I76 WeakPolarHBondContact OD1-CA 3.31Å; D47-S77 VanDerWaalsContact CG-OG 3.28Å; D47-S77 PolarHBondContact OD1-N 3.21Å; D47-S77 PolarHBondContact OD1-OG 3.45Å; D47-S77 VanDerWaalsContact OD1-OG 3.06Å; D47-S77 WeakPolarHBondContact OD2-CB 3.46Å; D47-S77 PolarHBondContact OD2-OG 3.5Å; D47-H83 HydrophobicContact CB-CB 4.23Å; D47-H83 WeakPolarHBondContact CB-O 3.25Å; D47-H83 IonicContact OD2-CE1 2.73Å; D47-H83 IonicContact OD2-CG 3.41Å; D47-H83 IonicContact OD2-ND1 3.63Å; D47-H83 PolarHBondContact OD2-ND1 3.36Å; D47-Y183 WeakPolarHBondContact OD2-CE1 3.37Å; D47-Y183 VanDerWaalsContact OD2-CZ 3.27Å; D47-Y183 PolarHBondContact OD2-OH 3.31Å
48C98.6Very high94.1Very high0 Ų037.1 Ų37.10%020%0.201CC..  trans-152.776.3178.1-166.70000109.7S33 M45 L74 I76 H83 C84 G85 A86 L87S33-C48 PolarHBondContact O-N 3.02Å; M45-C48 HydrophobicContact SD-CB 4.3Å; C48-L74 HydrophobicContact CB-CD1 4.39Å; C48-I76 HydrophobicContact CB-CD1 4.29Å; C48-H83 CarbonylContact C-O 3.42Å; C48-H83 VanDerWaalsContact C-O 3.25Å; C48-H83 PolarHBondContact N-O 3.27Å; C48-C84 CarbonylContact O-C 3.39Å; C48-C84 VanDerWaalsContact O-CA 3.3Å; C48-C84 WeakPolarHBondContact O-CA 3.48Å; C48-G85 PolarHBondContact O-N 2.83Å; C48-A86 PolarHBondContact O-N 3.23Å; C48-L87 HydrophobicContact CB-CD1 4.43Å; C48-L87 PolarHBondContact O-N 2.91Å
49G98.1Very high94Very high0 Ų035 Ų350%019%0.192CC..  trans-97.7178.5-177.100000116.1S33 P61 L81 D82 H83 A86S33-G49 PolarHBondContact O-N 2.97Å; G49-P61 WeakPolarHBondContact O-CD 3.37Å; G49-L81 VanDerWaalsContact CA-O 3.31Å; G49-L81 WeakPolarHBondContact CA-O 3.29Å; G49-D82 VanDerWaalsContact CA-C 3.49Å; G49-D82 WeakPolarHBondContact CA-O 3.5Å; G49-H83 PolarHBondContact N-O 2.82Å; G49-A86 WeakPolarHBondContact O-CB 3.49Å
50I96.4Very high94.1Very high3 Ų335.2 Ų35.22%0.01519%0.194CC..  trans-112.7157.1168.255.7174.3000111.3R32 P52 A59 L60 L81 D82 A86 Y117 L129R32-I50 PolarHBondContact N-O 3.34Å; I50-P52 WeakPolarHBondContact O-CD 3.44Å; I50-A59 CarbonylContact C-O 3.55Å; I50-A59 WeakPolarHBondContact CA-O 3.39Å; I50-L60 HydrophobicContact CG2-CD2 4.36Å; I50-L81 HydrophobicContact CD1-CB 4.36Å; I50-L81 HydrophobicContact CG1-CB 4.17Å; I50-L81 WeakPolarHBondContact CG1-O 2.97Å; I50-L81 PolarHBondContact N-O 3.34Å; I50-D82 WeakPolarHBondContact O-CA 3.39Å; I50-A86 HydrophobicContact CG2-CB 3.87Å; I50-Y117 HydrophobicContact CD1-CD2 4.28Å; I50-Y117 HydrophobicContact CD1-CE1 3.84Å; I50-Y117 HydrophobicContact CD1-CE2 3.53Å; I50-Y117 VanDerWaalsContact CD1-OH 3.29Å; I50-Y117 WeakPolarHBondContact CD1-OH 3.21Å; I50-L129 HydrophobicContact CG2-CD1 3.97Å
51H95.3Very high94.5Very high22 Ų2234.8 Ų34.810%0.10219%0.192CC..  trans-90.6113.2174.6-168.9-71.1000110V30 R32 G53 L54 A59 V366V30-H51 PolarHBondContact O-NE2 3Å; R32-H51 HydrophobicContact CB-CB 4.03Å; R32-H51 HydrophobicContact CG-CB 3.87Å; H51-G53 PolarHBondContact ND1-N 3.11Å; H51-G53 VanDerWaalsContact ND1-N 3.13Å; H51-G53 PolarHBondContact O-N 3.09Å; H51-G53 VanDerWaalsContact O-N 3.16Å; H51-L54 HydrophobicContact CB-CB 4.19Å; H51-L54 HydrophobicContact CB-CD1 3.98Å; H51-L54 HydrophobicContact CB-CG 4.19Å; H51-L54 PolarHBondContact ND1-N 2.77Å; H51-L54 PolarHBondContact O-N 2.72Å; H51-L54 VanDerWaalsContact O-N 3.14Å; H51-A59 PolarHBondContact N-O 3.37Å; H51-V366 VanDerWaalsContact CE1-CG1 3.49Å; H51-V366 WeakPolarHBondContact CE1-CG1 3.45Å
52P88.5Confident94.8Very high32 Ų3237.3 Ų37.321%0.20819%0.191CC..THydrogen-bonded Turntrans-66.5-18.8-173.7-2335.1000115.4I50 M338I50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-M338 HydrophobicContact CB-CE 4.41Å; P52-M338 HydrophobicContact CB-SD 3.82Å; P52-M338 HydrophobicContact CG-CE 4.38Å; P52-M338 HydrophobicContact CG-SD 4.41Å
53G87.3Confident94.9Very high20 Ų2035.2 Ų35.221%0.20618%0.184CC..THydrogen-bonded Turntrans-93.92.5177.100000115.1H51H51-G53 PolarHBondContact ND1-N 3.11Å; H51-G53 VanDerWaalsContact ND1-N 3.13Å; H51-G53 PolarHBondContact O-N 3.09Å; H51-G53 VanDerWaalsContact O-N 3.16Å
54L90Very high94.8Very high69 Ų6939.5 Ų39.536%0.36121%0.209SC..SBendtrans-119.5163.8177.8-63.9176.4000109.9H51 D58 A59H51-L54 HydrophobicContact CB-CB 4.19Å; H51-L54 HydrophobicContact CB-CD1 3.98Å; H51-L54 HydrophobicContact CB-CG 4.19Å; H51-L54 PolarHBondContact ND1-N 2.77Å; H51-L54 PolarHBondContact O-N 2.72Å; H51-L54 VanDerWaalsContact O-N 3.14Å; L54-D58 VanDerWaalsContact CD1-O 3.29Å; L54-D58 WeakPolarHBondContact CD1-O 3.13Å; L54-A59 HydrophobicContact CB-CB 4.07Å
55E86.4Confident94.7Very high162 Ų16243.2 Ų43.276%0.75723%0.228SC*.  trans-120155-174.4-63.9-179.117400111.9M57 D58E55-M57 PolarHBondContact O-N 3.41Å; E55-D58 PolarHBondContact O-N 2.75Å
56G88.6Confident94.5Very high22 Ų2244.1 Ų44.123%0.22723%0.233CC..G310 helixtrans55-136.6175.500000113.6D58 A59G56-D58 VanDerWaalsContact C-N 3.29Å; G56-D58 PolarHBondContact O-N 2.97Å; G56-A59 PolarHBondContact O-N 3.22Å
57M91.6Very high94.5Very high119 Ų11947.5 Ų47.559%0.58625%0.251SS*.G310 helixtrans-68.9-24.6-179.4-66.4-65.3-71.500113.2E55 A59 L60 W89 L129E55-M57 PolarHBondContact O-N 3.41Å; M57-A59 PolarHBondContact O-N 2.94Å; M57-L60 HydrophobicContact CE-CD1 3.64Å; M57-L60 VanDerWaalsContact O-CB 3.31Å; M57-L60 WeakPolarHBondContact O-CB 3.12Å; M57-L60 PolarHBondContact O-N 2.9Å; M57-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 HydrophobicContact SD-CD1 3.76Å; M57-W89 HydrophobicContact CE-CZ2 4.02Å; M57-L129 HydrophobicContact SD-CD2 3.71Å
58D93.8Very high94.4Very high124 Ų12448.2 Ų48.266%0.66326%0.256SS*.G310 helixtrans-69.1-21.2179.8-67.8-29.5000112.2R32 L54 E55 G56 L60R32-D58 PolarHBondContact NH1-O 2.94Å; R32-D58 VanDerWaalsContact NH1-O 3.14Å; L54-D58 VanDerWaalsContact CD1-O 3.29Å; L54-D58 WeakPolarHBondContact CD1-O 3.13Å; E55-D58 PolarHBondContact O-N 2.75Å; G56-D58 VanDerWaalsContact C-N 3.29Å; G56-D58 PolarHBondContact O-N 2.97Å; D58-L60 PolarHBondContact O-N 3.31Å
59A94.6Very high94.4Very high4 Ų450.2 Ų50.23%0.03327%0.272CS..G310 helixtrans-71.5-14.5173.300000113.4I50 H51 L54 G56 M57I50-A59 CarbonylContact C-O 3.55Å; I50-A59 WeakPolarHBondContact CA-O 3.39Å; H51-A59 PolarHBondContact N-O 3.37Å; L54-A59 HydrophobicContact CB-CB 4.07Å; G56-A59 PolarHBondContact O-N 3.22Å; M57-A59 PolarHBondContact O-N 2.94Å
60L97.8Very high94.3Very high10 Ų1055 Ų555%0.05230%0.295CS..SBendtrans-75.3158.7177.2-63.6175.6000111.5R32 I50 M57 D58 A86 W89 L129R32-L60 WeakPolarHBondContact CD-O 3.27Å; R32-L60 PolarHBondContact NH1-O 2.78Å; I50-L60 HydrophobicContact CG2-CD2 4.36Å; M57-L60 HydrophobicContact CE-CD1 3.64Å; M57-L60 VanDerWaalsContact O-CB 3.31Å; M57-L60 WeakPolarHBondContact O-CB 3.12Å; M57-L60 PolarHBondContact O-N 2.9Å; M57-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 HydrophobicContact SD-CD1 3.76Å; D58-L60 PolarHBondContact O-N 3.31Å; L60-A86 HydrophobicContact CD2-CB 3.63Å; L60-W89 HydrophobicContact CD1-CD2 3.93Å; L60-W89 HydrophobicContact CD1-CE3 4.09Å; L60-W89 HydrophobicContact CD1-CH2 3.94Å; L60-W89 HydrophobicContact CD1-CZ2 3.75Å; L60-W89 HydrophobicContact CD1-CZ3 4.1Å; L60-W89 HydrophobicContact CD2-CD2 4.3Å; L60-W89 HydrophobicContact CD2-CE3 4.13Å; L60-L129 HydrophobicContact CD1-CD2 3.96Å; L60-L129 HydrophobicContact CD2-CD1 3.98Å; L60-L129 HydrophobicContact CD2-CD2 4.15Å; L60-L129 HydrophobicContact CG-CD1 4.47Å; L60-L129 HydrophobicContact CG-CD2 4.01Å
61P98.3Very high94.4Very high8 Ų855 Ų555%0.05230%0.295CS..  trans-63166.2163.6-13.227.8000111.2L24 R32 C34 G49 I63L24-P61 HydrophobicContact CB-CB 4.09Å; L24-P61 WeakPolarHBondContact O-CA 3.47Å; L24-P61 WeakPolarHBondContact O-CB 3.49Å; R32-P61 HydrophobicContact CB-CG 4.24Å; C34-P61 HydrophobicContact CB-CB 3.59Å; C34-P61 HydrophobicContact CB-CG 3.55Å; G49-P61 WeakPolarHBondContact O-CD 3.37Å; P61-I63 HydrophobicContact CB-CD1 3.94Å; P61-I63 HydrophobicContact CB-CG1 4.1Å; P61-I63 HydrophobicContact CG-CD1 4.22Å; P61-I63 HydrophobicContact CG-CG1 4.38Å; P61-I63 PolarHBondContact O-N 3.43Å
62Y98.2Very high94.5Very high91 Ų9155.9 Ų55.936%0.35730%0.3SS..  trans-72.359.4174.9-63.5-79.2000112.4L24 D64 L65 N457 T458L24-Y62 WeakPolarHBondContact O-CD2 3.16Å; L24-Y62 PolarHBondContact O-N 2.94Å; Y62-D64 WeakPolarHBondContact CA-OD1 3.4Å; Y62-D64 PolarHBondContact O-N 2.94Å; Y62-L65 PolarHBondContact O-N 2.98Å; Y62-N457 HydrophobicContact CD2-CB 3.88Å; Y62-N457 HydrophobicContact CE2-CB 3.71Å; Y62-T458 HydrophobicContact CD2-CG2 4.08Å; Y62-T458 HydrophobicContact CG-CG2 4.05Å
63I97.1Very high95Very high11 Ų1154.3 Ų54.36%0.05629%0.29CS..G310 helixtrans-67.7-21.5-176.5-59.5-62.1000112L24 M45 P61 L65 I66 P68 W89 F90L24-I63 HydrophobicContact CD1-CD1 4.15Å; M45-I63 HydrophobicContact CE-CD1 3.91Å; P61-I63 HydrophobicContact CB-CD1 3.94Å; P61-I63 HydrophobicContact CB-CG1 4.1Å; P61-I63 HydrophobicContact CG-CD1 4.22Å; P61-I63 HydrophobicContact CG-CG1 4.38Å; P61-I63 PolarHBondContact O-N 3.43Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-L65 VanDerWaalsContact O-N 3.15Å; I63-I66 HydrophobicContact CG2-CG1 4.39Å; I63-I66 WeakPolarHBondContact O-CG1 3.3Å; I63-I66 PolarHBondContact O-N 3.38Å; I63-I66 VanDerWaalsContact O-N 3.16Å; I63-I66 VanDerWaalsContact O-O 3.14Å; I63-P68 HydrophobicContact CG2-CG 4.25Å; I63-W89 HydrophobicContact CB-CH2 4.37Å; I63-W89 HydrophobicContact CB-CZ3 4.39Å; I63-W89 HydrophobicContact CG1-CZ3 4.15Å; I63-W89 HydrophobicContact CG2-CH2 4.19Å; I63-W89 HydrophobicContact CG2-CZ3 4.2Å; I63-F90 HydrophobicContact CD1-CE2 4.5Å; I63-F90 HydrophobicContact CG2-CD2 4.3Å; I63-F90 HydrophobicContact CG2-CE2 4.04Å
64D95.4Very high95.5Very high133 Ų13353.4 Ų53.471%0.71128%0.28SS*.G310 helixtrans-61.6-17175.662.2-46.2000114.1Y62 I66Y62-D64 WeakPolarHBondContact CA-OD1 3.4Å; Y62-D64 PolarHBondContact O-N 2.94Å; D64-I66 VanDerWaalsContact C-N 3.3Å
65L95.4Very high95.9Very high77 Ų7750.1 Ų50.140%0.40326%0.263SS..G310 helixtrans-81.2-5.1176.8-63.7-179.4000114.7L24 Y62 I63 T458L24-L65 HydrophobicContact CD2-CB 4.22Å; L24-L65 HydrophobicContact CD2-CD1 4.14Å; Y62-L65 PolarHBondContact O-N 2.98Å; I63-L65 PolarHBondContact O-N 3.43Å; I63-L65 VanDerWaalsContact O-N 3.15Å; L65-T458 HydrophobicContact CD1-CG2 3.35Å
66I96.1Very high96.5Very high19 Ų1942.4 Ų42.410%0.09723%0.227CC..SBendtrans-131.6159.5-179.958.3157.9000110.8L24 I36 M45 I63 D64 P68 I71L24-I66 HydrophobicContact CD1-CD1 3.99Å; L24-I66 HydrophobicContact CD1-CG1 4.02Å; L24-I66 HydrophobicContact CD1-CG2 4.19Å; I36-I66 HydrophobicContact CD1-CD1 3.84Å; I36-I66 HydrophobicContact CG1-CD1 4.45Å; I36-I66 HydrophobicContact CG1-CG2 4.18Å; M45-I66 HydrophobicContact CE-CD1 3.44Å; M45-I66 VanDerWaalsContact CE-CD1 3.44Å; I63-I66 HydrophobicContact CG2-CG1 4.39Å; I63-I66 WeakPolarHBondContact O-CG1 3.3Å; I63-I66 PolarHBondContact O-N 3.38Å; I63-I66 VanDerWaalsContact O-N 3.16Å; I63-I66 VanDerWaalsContact O-O 3.14Å; D64-I66 VanDerWaalsContact C-N 3.3Å; I66-P68 WeakPolarHBondContact O-CD 3.48Å; I66-I71 HydrophobicContact CD1-CD1 3.97Å; I66-I71 HydrophobicContact CD1-CG1 4.12Å
67D97.4Very high97Very high72 Ų7241.4 Ų41.439%0.38522%0.216SC..  trans-93.4114163.5-176-3.4000109.1A69 E70 S95D67-A69 PolarHBondContact O-N 3.01Å; D67-A69 VanDerWaalsContact O-N 3.11Å; D67-A69 VanDerWaalsContact OD1-CB 3.31Å; D67-A69 WeakPolarHBondContact OD1-CB 3.49Å; D67-A69 PolarHBondContact OD1-N 3.43Å; D67-E70 HydrophobicContact CB-CG 4.07Å; D67-E70 PolarHBondContact O-N 3.03Å; D67-S95 PolarHBondContact OD1-OG 3.48Å
68P97.9Very high97.3Very high15 Ų1535.7 Ų35.710%0.09719%0.188CC..G310 helixtrans-55.1-27.3176.2-26.435.7000113.7I63 I66 E70 I71 F90 F96I63-P68 HydrophobicContact CG2-CG 4.25Å; I66-P68 WeakPolarHBondContact O-CD 3.48Å; P68-E70 PolarHBondContact O-N 3Å; P68-I71 PolarHBondContact O-N 2.98Å; P68-F90 HydrophobicContact CB-CE2 3.86Å; P68-F90 HydrophobicContact CB-CZ 3.92Å; P68-F90 HydrophobicContact CG-CE2 4.01Å; P68-F96 HydrophobicContact CB-CB 3.99Å; P68-F96 WeakPolarHBondContact O-CA 3.25Å; P68-F96 WeakPolarHBondContact O-CD2 3.38Å
69A97.4Very high97.5Very high42 Ų4229.8 Ų29.835%0.34716%0.157SC..G310 helixtrans-67.1-20.5179.300000113.6D67 S95D67-A69 PolarHBondContact O-N 3.01Å; D67-A69 VanDerWaalsContact O-N 3.11Å; D67-A69 VanDerWaalsContact OD1-CB 3.31Å; D67-A69 WeakPolarHBondContact OD1-CB 3.49Å; D67-A69 PolarHBondContact OD1-N 3.43Å; A69-S95 PolarHBondContact N-OG 3.41Å
70E96.8Very high97.5Very high101 Ų10131 Ų3147%0.47216%0.162SC..G310 helixtrans-92.6-5.7-179-61.9-174.3158.700113.5K43 D67 P68 D72K43-E70 HydrophobicContact CD-CB 4.12Å; K43-E70 IonicContact NZ-OE2 3.15Å; K43-E70 PolarHBondContact NZ-OE2 3.07Å; D67-E70 HydrophobicContact CB-CG 4.07Å; D67-E70 PolarHBondContact O-N 3.03Å; P68-E70 PolarHBondContact O-N 3Å; E70-D72 PolarHBondContact O-N 3.39Å
71I98.2Very high97.3Very high3 Ų331.3 Ų31.32%0.01516%0.163CC..  trans-79.3116.6179.5-53.5-57.7000109.5I36 K43 M45 I66 P68 F96 G98I36-I71 HydrophobicContact CD1-CD1 4.14Å; K43-I71 HydrophobicContact CB-CD1 3.87Å; K43-I71 HydrophobicContact CD-CD1 4.33Å; M45-I71 HydrophobicContact CB-CG2 3.9Å; I66-I71 HydrophobicContact CD1-CD1 3.97Å; I66-I71 HydrophobicContact CD1-CG1 4.12Å; P68-I71 PolarHBondContact O-N 2.98Å; I71-F96 HydrophobicContact CB-CD2 4.01Å; I71-F96 HydrophobicContact CB-CE2 3.88Å; I71-F96 HydrophobicContact CG2-CD2 4.43Å; I71-F96 HydrophobicContact CG2-CE2 3.87Å; I71-F96 WeakPolarHBondContact O-CE2 3.5Å; I71-G98 WeakPolarHBondContact O-CA 3.44Å
72D97.7Very high97.2Very high39 Ų3932 Ų3221%0.20917%0.167CC..  trans-76.2-41-178.6-61.9-70.2000111.9R42 K43 E70 G98 R99 A154 I156R42-D72 VanDerWaalsContact CA-OD2 3.27Å; R42-D72 WeakPolarHBondContact CA-OD2 3.23Å; R42-D72 VanDerWaalsContact CD-OD2 3.32Å; R42-D72 WeakPolarHBondContact CD-OD2 3.37Å; R42-D72 IonicContact NH1-OD1 2.73Å; K43-D72 PolarHBondContact N-OD2 3.07Å; K43-D72 PolarHBondContact O-N 2.83Å; E70-D72 PolarHBondContact O-N 3.39Å; D72-G98 WeakPolarHBondContact O-CA 3.46Å; D72-R99 PolarHBondContact O-N 3.21Å; D72-R99 VanDerWaalsContact O-N 3.09Å; D72-A154 HydrophobicContact CB-CB 4.42Å; D72-I156 HydrophobicContact CB-CD1 4.28Å
73L98.6Very high97.2Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-141.6134.3-167.7-171.268.4000111.2I44 M45 L75 R99 F101 V153 I156 F158I44-L73 CarbonylContact C-O 3.6Å; I44-L73 WeakPolarHBondContact CA-O 3.45Å; I44-L73 HydrophobicContact CD1-CD2 4.4Å; I44-L73 HydrophobicContact CG1-CB 4.25Å; I44-L73 HydrophobicContact CG2-CB 4.25Å; I44-L73 HydrophobicContact CG2-CD2 4.35Å; I44-L73 HydrophobicContact CG2-CG 4.46Å; M45-L73 PolarHBondContact N-O 3.47Å; L73-L75 HydrophobicContact CD1-CD2 4.19Å; L73-L75 HydrophobicContact CD2-CD1 4.17Å; L73-L75 HydrophobicContact CD2-CD2 4Å; L73-L75 HydrophobicContact CD2-CG 4.11Å; L73-L75 HydrophobicContact CG-CD2 3.95Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L73-R99 WeakPolarHBondContact CA-O 3.35Å; L73-F101 HydrophobicContact CD1-CD2 3.58Å; L73-F101 HydrophobicContact CD1-CE2 3.6Å; L73-V153 HydrophobicContact CD1-CB 4.05Å; L73-V153 HydrophobicContact CD1-CG1 4.18Å; L73-V153 HydrophobicContact CD1-CG2 4.02Å; L73-I156 HydrophobicContact CB-CD1 4.27Å; L73-I156 HydrophobicContact CD2-CD1 4.39Å; L73-I156 HydrophobicContact CD2-CG2 3.98Å; L73-F158 HydrophobicContact CD1-CE1 3.89Å; L73-F158 HydrophobicContact CD1-CZ 4.05Å; L73-F158 HydrophobicContact CD2-CD1 3.66Å; L73-F158 HydrophobicContact CD2-CE1 3.74Å; L73-F158 HydrophobicContact CD2-CG 4.31Å; L73-F158 HydrophobicContact CD2-CZ 4.42Å; L73-F158 HydrophobicContact CG-CE1 4.49Å
74L98.8Very high97.3Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-121.2121.7172.6173.655.4000109.5M45 C48 I76 L87 F90 L91 F96 R99 T100 F101M45-L74 HydrophobicContact CB-CD1 3.78Å; M45-L74 HydrophobicContact CG-CD1 3.63Å; M45-L74 WeakPolarHBondContact O-CA 3.37Å; M45-L74 WeakPolarHBondContact O-CD1 3.46Å; M45-L74 HydrophobicContact SD-CD1 3.79Å; C48-L74 HydrophobicContact CB-CD1 4.39Å; L74-I76 HydrophobicContact CD1-CD1 3.81Å; L74-I76 HydrophobicContact CD2-CD1 4.41Å; L74-I76 HydrophobicContact CG-CD1 4.02Å; L74-I76 HydrophobicContact CG-CG1 4.43Å; L74-L87 HydrophobicContact CD2-CD1 3.36Å; L74-L87 HydrophobicContact CG-CD1 4.4Å; L74-F90 HydrophobicContact CD2-CD1 3.9Å; L74-F90 HydrophobicContact CD2-CE1 4.07Å; L74-L91 HydrophobicContact CD2-CD2 4.41Å; L74-F96 HydrophobicContact CB-CZ 4.1Å; L74-R99 PolarHBondContact N-O 2.92Å; L74-T100 HydrophobicContact CB-CG2 4.27Å; L74-T100 HydrophobicContact CD2-CG2 4.03Å; L74-T100 HydrophobicContact CG-CG2 3.97Å; L74-T100 CarbonylContact O-C 3.55Å; L74-T100 VanDerWaalsContact O-CA 3.29Å; L74-T100 WeakPolarHBondContact O-CA 3.38Å; L74-F101 PolarHBondContact O-N 3.1Å
75L98.9Very high97.4Very high0 Ų020.8 Ų20.80%011%0.113CC..EExtended strand (participates in β ladder)trans-114.4123.9180-58.9178.6000109.6M45 L46 D47 L73 F101 F158 F172 I174M45-L75 PolarHBondContact O-N 3.25Å; L46-L75 HydrophobicContact CD2-CB 4.18Å; L46-L75 HydrophobicContact CD2-CD1 4.1Å; L46-L75 HydrophobicContact CD2-CG 4.5Å; D47-L75 PolarHBondContact N-O 3.25Å; L73-L75 HydrophobicContact CD1-CD2 4.19Å; L73-L75 HydrophobicContact CD2-CD1 4.17Å; L73-L75 HydrophobicContact CD2-CD2 4Å; L73-L75 HydrophobicContact CD2-CG 4.11Å; L73-L75 HydrophobicContact CG-CD2 3.95Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L75-F101 HydrophobicContact CD2-CB 3.87Å; L75-F101 HydrophobicContact CD2-CD2 4.29Å; L75-F101 HydrophobicContact CD2-CG 4.42Å; L75-F158 HydrophobicContact CD1-CB 4.46Å; L75-F158 HydrophobicContact CD1-CD2 4.47Å; L75-F158 HydrophobicContact CD1-CG 4.48Å; L75-F158 HydrophobicContact CD2-CD2 3.83Å; L75-F158 HydrophobicContact CD2-CE2 3.77Å; L75-F158 HydrophobicContact CD2-CG 4.38Å; L75-F158 HydrophobicContact CD2-CZ 4.3Å; L75-F172 HydrophobicContact CB-CD1 4.33Å; L75-F172 HydrophobicContact CB-CD2 4.09Å; L75-F172 HydrophobicContact CB-CE1 4.41Å; L75-F172 HydrophobicContact CB-CE2 4.17Å; L75-F172 HydrophobicContact CB-CG 4.16Å; L75-F172 HydrophobicContact CB-CZ 4.33Å; L75-F172 HydrophobicContact CD1-CB 4.05Å; L75-F172 HydrophobicContact CD1-CD1 3.86Å; L75-F172 HydrophobicContact CD1-CE1 4.49Å; L75-F172 HydrophobicContact CD1-CG 3.96Å; L75-F172 HydrophobicContact CD2-CD1 4.2Å; L75-F172 HydrophobicContact CD2-CE1 4.03Å; L75-F172 HydrophobicContact CG-CD1 4.36Å; L75-I174 HydrophobicContact CD1-CD1 3.71Å; L75-I174 HydrophobicContact CD1-CG1 3.94Å
76I98.9Very high97.5Very high0 Ų017.1 Ų17.10%09%0.094CC..  trans-108.7114.8-179.6-53.3-66000109.6D47 C48 L74 H78 C84 L87 T100 F101 M102 F172D47-I76 VanDerWaalsContact OD1-CA 3.27Å; D47-I76 WeakPolarHBondContact OD1-CA 3.31Å; C48-I76 HydrophobicContact CB-CD1 4.29Å; L74-I76 HydrophobicContact CD1-CD1 3.81Å; L74-I76 HydrophobicContact CD2-CD1 4.41Å; L74-I76 HydrophobicContact CG-CD1 4.02Å; L74-I76 HydrophobicContact CG-CG1 4.43Å; I76-H78 WeakPolarHBondContact CG2-O 3.27Å; I76-C84 HydrophobicContact CG2-CB 3.72Å; I76-L87 HydrophobicContact CD1-CD1 4.16Å; I76-L87 HydrophobicContact CD1-CD2 4.24Å; I76-L87 HydrophobicContact CG1-CD2 4.01Å; I76-T100 HydrophobicContact CG1-CG2 4.26Å; I76-F101 PolarHBondContact N-O 3.04Å; I76-M102 HydrophobicContact CB-CE 3.91Å; I76-M102 HydrophobicContact CB-CG 3.71Å; I76-M102 HydrophobicContact CG1-CE 3.95Å; I76-M102 HydrophobicContact CG1-CG 4.23Å; I76-M102 HydrophobicContact CG2-CE 3.62Å; I76-M102 HydrophobicContact CG2-CG 4.15Å; I76-F172 WeakPolarHBondContact O-CE2 3.4Å
77S98.7Very high97.6Very high1 Ų116.2 Ų16.21%0.0079%0.089CC..  trans-63.3-50.5-175.362.30000112D47 H83 A169 A170D47-S77 VanDerWaalsContact CG-OG 3.28Å; D47-S77 PolarHBondContact OD1-N 3.21Å; D47-S77 PolarHBondContact OD1-OG 3.45Å; D47-S77 VanDerWaalsContact OD1-OG 3.06Å; D47-S77 WeakPolarHBondContact OD2-CB 3.46Å; D47-S77 PolarHBondContact OD2-OG 3.5Å; S77-H83 PolarHBondContact OG-ND1 3.26Å; S77-A169 WeakPolarHBondContact O-CA 3.4Å; S77-A170 PolarHBondContact O-N 2.64Å
78H98.3Very high97.6Very high0 Ų012.8 Ų12.80%07%0.071CC..  trans-159.4-178.9-176.870.7-74.7000112.5I76 H80 H83 H165 V166 A169 D186I76-H78 WeakPolarHBondContact CG2-O 3.27Å; H78-H80 AromaticContact CD2-CG 3.49Å; H78-H80 VanDerWaalsContact CD2-CG 3.49Å; H78-H80 PolarHBondContact CD2-N 2.89Å; H78-H80 AromaticContact CD2-ND1 3.35Å; H78-H80 PolarHBondContact CD2-ND1 3.4Å; H78-H80 WeakPolarHBondContact NE2-CB 3.28Å; H78-H80 AromaticContact NE2-CG 3.37Å; H78-H80 AromaticContact NE2-ND1 2.98Å; H78-H80 PolarHBondContact NE2-ND1 3.13Å; H78-H83 AromaticContact CE1-CD2 3.15Å; H78-H83 PolarHBondContact CE1-CD2 2.91Å; H78-H83 AromaticContact CE1-CE1 3.68Å; H78-H83 AromaticContact CE1-CG 3.26Å; H78-H83 AromaticContact CE1-ND1 3.59Å; H78-H83 AromaticContact CE1-NE2 3.47Å; H78-H83 PolarHBondContact CE1-NE2 3.2Å; H78-H83 AromaticContact ND1-CG 3.72Å; H78-H83 AromaticContact ND1-ND1 3.93Å; H78-H83 AromaticContact NE2-CD2 3.63Å; H78-H165 AromaticContact CD2-CD2 3.96Å; H78-H165 AromaticContact NE2-CD2 3.85Å; H78-H165 AromaticContact NE2-NE2 3.73Å; H78-V166 HydrophobicContact CB-CG2 3.84Å; H78-A169 HydrophobicContact CB-CB 3.63Å; H78-D186 IonicContact CE1-OD2 3.66Å; H78-D186 IonicContact NE2-OD2 3.46Å
79F96.3Very high97.6Very high0 Ų013.8 Ų13.80%07%0.073CC..SBendtrans-911.2-166.261.5-110.4000115.3C84 T106 I109 L113 V166 L167 L250F79-C84 PolarHBondContact O-SG 2.93Å; F79-T106 HydrophobicContact CB-CG2 4.17Å; F79-I109 HydrophobicContact CB-CB 4.26Å; F79-I109 HydrophobicContact CB-CG2 3.97Å; F79-I109 HydrophobicContact CD1-CB 3.88Å; F79-I109 HydrophobicContact CD1-CD1 3.69Å; F79-I109 HydrophobicContact CD1-CG1 4.39Å; F79-I109 HydrophobicContact CD1-CG2 3.63Å; F79-I109 HydrophobicContact CD2-CG2 3.66Å; F79-I109 HydrophobicContact CE1-CB 4.35Å; F79-I109 HydrophobicContact CE1-CD1 3.43Å; F79-I109 VanDerWaalsContact CE1-CD1 3.43Å; F79-I109 HydrophobicContact CE1-CG1 4.47Å; F79-I109 HydrophobicContact CE1-CG2 3.91Å; F79-I109 HydrophobicContact CE2-CG2 3.95Å; F79-I109 HydrophobicContact CG-CB 4.04Å; F79-I109 HydrophobicContact CG-CG2 3.47Å; F79-I109 VanDerWaalsContact CG-CG2 3.47Å; F79-I109 HydrophobicContact CZ-CD1 4.17Å; F79-I109 HydrophobicContact CZ-CG2 4.04Å; F79-L113 HydrophobicContact CD2-CD1 3.52Å; F79-L113 HydrophobicContact CE2-CD1 4.02Å; F79-L113 WeakPolarHBondContact O-CD1 3.14Å; F79-V166 HydrophobicContact CD1-CG2 3.99Å; F79-V166 HydrophobicContact CE1-CB 3.66Å; F79-V166 HydrophobicContact CE1-CG2 3.55Å; F79-V166 HydrophobicContact CE2-CB 4.26Å; F79-V166 HydrophobicContact CE2-CG1 4.37Å; F79-V166 HydrophobicContact CE2-CG2 4.26Å; F79-V166 HydrophobicContact CZ-CB 3.5Å; F79-V166 HydrophobicContact CZ-CG1 3.98Å; F79-V166 HydrophobicContact CZ-CG2 3.73Å; F79-L167 HydrophobicContact CE1-CB 4.49Å; F79-L167 VanDerWaalsContact CE1-O 3.23Å; F79-L167 WeakPolarHBondContact CE1-O 3.19Å; F79-L250 HydrophobicContact CE2-CB 4.2Å
80H95.1Very high97.7Very high30 Ų3011.8 Ų11.814%0.1396%0.056CC..SBendtrans-68151.5179.1-69.5154.3000111.7H78 D82 H83 C84 H165 V166H78-H80 AromaticContact CD2-CG 3.49Å; H78-H80 VanDerWaalsContact CD2-CG 3.49Å; H78-H80 PolarHBondContact CD2-N 2.89Å; H78-H80 AromaticContact CD2-ND1 3.35Å; H78-H80 PolarHBondContact CD2-ND1 3.4Å; H78-H80 WeakPolarHBondContact NE2-CB 3.28Å; H78-H80 AromaticContact NE2-CG 3.37Å; H78-H80 AromaticContact NE2-ND1 2.98Å; H78-H80 PolarHBondContact NE2-ND1 3.13Å; H80-D82 VanDerWaalsContact C-N 3.28Å; H80-D82 WeakPolarHBondContact CB-OD1 3.46Å; H80-D82 PolarHBondContact O-N 3.41Å; H80-H83 PolarHBondContact O-N 3.38Å; H80-C84 PolarHBondContact O-N 3.39Å; H80-C84 PolarHBondContact O-SG 3.21Å; H80-H165 AromaticContact CE1-CD2 3.98Å; H80-H165 AromaticContact CE1-CE1 3.82Å; H80-H165 AromaticContact CE1-NE2 3.06Å; H80-H165 PolarHBondContact CE1-NE2 3.34Å; H80-H165 AromaticContact ND1-NE2 3.15Å; H80-H165 PolarHBondContact ND1-NE2 2.86Å; H80-H165 VanDerWaalsContact ND1-NE2 3.15Å; H80-V166 VanDerWaalsContact CE1-CG1 3.44Å; H80-V166 WeakPolarHBondContact CE1-CG1 3.45Å; H80-V166 WeakPolarHBondContact NE2-CG1 3.36Å
81L94.4Very high97.7Very high15 Ų157 Ų78%0.0793%0.034CC..Hα-helixtrans-60.9-36.8-172.5-70.6175.5000113.1G49 I50 H83 G85 L113 L114 Y117 F248G49-L81 VanDerWaalsContact CA-O 3.31Å; G49-L81 WeakPolarHBondContact CA-O 3.29Å; I50-L81 HydrophobicContact CD1-CB 4.36Å; I50-L81 HydrophobicContact CG1-CB 4.17Å; I50-L81 WeakPolarHBondContact CG1-O 2.97Å; I50-L81 PolarHBondContact N-O 3.34Å; L81-H83 PolarHBondContact O-N 3.43Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 3.45Å; L81-L113 HydrophobicContact CD1-CD2 4.48Å; L81-L113 HydrophobicContact CD2-CD2 3.37Å; L81-L113 HydrophobicContact CG-CD2 3.69Å; L81-L114 HydrophobicContact CD2-CD2 3.29Å; L81-Y117 HydrophobicContact CD1-CD2 3.82Å; L81-Y117 HydrophobicContact CD1-CE2 4.49Å; L81-Y117 HydrophobicContact CD1-CG 4.38Å; L81-Y117 HydrophobicContact CD2-CD2 4.17Å; L81-Y117 HydrophobicContact CD2-CG 3.95Å; L81-F248 HydrophobicContact CD1-CE1 3.91Å; L81-F248 HydrophobicContact CD1-CZ 3.98Å
82D96.3Very high97.7Very high23 Ų239.3 Ų9.312%0.1235%0.045CC..Hα-helixtrans-70-5.9175.251.3-24.9000114.2S33 G49 I50 H80 H425S33-D82 WeakPolarHBondContact CA-O 3.43Å; S33-D82 WeakPolarHBondContact CB-O 3.26Å; S33-D82 PolarHBondContact N-O 2.96Å; S33-D82 PolarHBondContact OG-O 3.35Å; G49-D82 VanDerWaalsContact CA-C 3.49Å; G49-D82 WeakPolarHBondContact CA-O 3.5Å; I50-D82 WeakPolarHBondContact O-CA 3.39Å; H80-D82 VanDerWaalsContact C-N 3.28Å; H80-D82 WeakPolarHBondContact CB-OD1 3.46Å; H80-D82 PolarHBondContact O-N 3.41Å; D82-H425 IonicContact OD2-CE1 3.99Å; D82-H425 IonicContact OD2-NE2 2.79Å; D82-H425 PolarHBondContact OD2-NE2 3.09Å
83H98.5Very high97.7Very high0 Ų012.4 Ų12.40%06%0.056CC..Hα-helixtrans-119.2-25.3174.7-68.7-100.3000114S33 D47 C48 G49 S77 H78 H80 L81 D186 H425S33-H83 PolarHBondContact OG-CE1 3.11Å; S33-H83 VanDerWaalsContact OG-CE1 3.26Å; S33-H83 PolarHBondContact OG-NE2 3.39Å; D47-H83 HydrophobicContact CB-CB 4.23Å; D47-H83 WeakPolarHBondContact CB-O 3.25Å; D47-H83 IonicContact OD2-CE1 2.73Å; D47-H83 IonicContact OD2-CG 3.41Å; D47-H83 IonicContact OD2-ND1 3.63Å; D47-H83 PolarHBondContact OD2-ND1 3.36Å; C48-H83 CarbonylContact C-O 3.42Å; C48-H83 VanDerWaalsContact C-O 3.25Å; C48-H83 PolarHBondContact N-O 3.27Å; G49-H83 PolarHBondContact N-O 2.82Å; S77-H83 PolarHBondContact OG-ND1 3.26Å; H78-H83 AromaticContact CE1-CD2 3.15Å; H78-H83 PolarHBondContact CE1-CD2 2.91Å; H78-H83 AromaticContact CE1-CE1 3.68Å; H78-H83 AromaticContact CE1-CG 3.26Å; H78-H83 AromaticContact CE1-ND1 3.59Å; H78-H83 AromaticContact CE1-NE2 3.47Å; H78-H83 PolarHBondContact CE1-NE2 3.2Å; H78-H83 AromaticContact ND1-CG 3.72Å; H78-H83 AromaticContact ND1-ND1 3.93Å; H78-H83 AromaticContact NE2-CD2 3.63Å; H80-H83 PolarHBondContact O-N 3.38Å; L81-H83 PolarHBondContact O-N 3.43Å; H83-D186 IonicContact CE1-OD1 3.41Å; H83-D186 IonicContact NE2-OD1 3.27Å; H83-D186 IonicContact NE2-OD2 3.31Å; H83-D186 PolarHBondContact NE2-OD2 3.32Å; H83-H425 AromaticContact NE2-CD2 3.84Å; H83-H425 AromaticContact NE2-CE1 3.75Å; H83-H425 AromaticContact NE2-NE2 3.51Å
84C98.1Very high97.6Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-133.90.4-178.775.10000115.1C48 I76 F79 H80 A86 L87 M102 Y110C48-C84 CarbonylContact O-C 3.39Å; C48-C84 VanDerWaalsContact O-CA 3.3Å; C48-C84 WeakPolarHBondContact O-CA 3.48Å; I76-C84 HydrophobicContact CG2-CB 3.72Å; F79-C84 PolarHBondContact O-SG 2.93Å; H80-C84 PolarHBondContact O-N 3.39Å; H80-C84 PolarHBondContact O-SG 3.21Å; C84-A86 VanDerWaalsContact C-N 3.31Å; C84-A86 PolarHBondContact O-N 3.45Å; C84-L87 WeakPolarHBondContact O-CB 3.05Å; C84-L87 PolarHBondContact O-N 3.42Å; C84-L87 VanDerWaalsContact O-N 3.16Å; C84-M102 HydrophobicContact CB-CE 4.21Å; C84-Y110 HydrophobicContact CB-CD2 4.13Å; C84-Y110 HydrophobicContact CB-CE2 4.36Å
85G96.9Very high97.6Very high0 Ų016.7 Ų16.70%08%0.084CC..THydrogen-bonded Turntrans-69.2-22-172.500000115.1C48 L81 Y130C48-G85 PolarHBondContact O-N 2.83Å; L81-G85 WeakPolarHBondContact O-CA 3.46Å; L81-G85 PolarHBondContact O-N 3.45Å; G85-Y130 WeakPolarHBondContact O-CE1 3.46Å; G85-Y130 PolarHBondContact O-OH 3.48Å
86A98Very high97.6Very high0 Ų017.6 Ų17.60%09%0.088CC..THydrogen-bonded Turntrans-91.1-4.9175.300000112.5C48 G49 I50 L60 C84 W89 F90C48-A86 PolarHBondContact O-N 3.23Å; G49-A86 WeakPolarHBondContact O-CB 3.49Å; I50-A86 HydrophobicContact CG2-CB 3.87Å; L60-A86 HydrophobicContact CD2-CB 3.63Å; C84-A86 VanDerWaalsContact C-N 3.31Å; C84-A86 PolarHBondContact O-N 3.45Å; A86-W89 WeakPolarHBondContact O-CB 3.49Å; A86-W89 PolarHBondContact O-N 3.47Å; A86-F90 PolarHBondContact O-N 3.31Å
87L98.4Very high97.5Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-60.9-43.4-172.7-173.564.3000114.4C48 L74 I76 C84 W89 F90 L91 T100 M102 Y110 I142C48-L87 HydrophobicContact CB-CD1 4.43Å; C48-L87 PolarHBondContact O-N 2.91Å; L74-L87 HydrophobicContact CD2-CD1 3.36Å; L74-L87 HydrophobicContact CG-CD1 4.4Å; I76-L87 HydrophobicContact CD1-CD1 4.16Å; I76-L87 HydrophobicContact CD1-CD2 4.24Å; I76-L87 HydrophobicContact CG1-CD2 4.01Å; C84-L87 WeakPolarHBondContact O-CB 3.05Å; C84-L87 PolarHBondContact O-N 3.42Å; C84-L87 VanDerWaalsContact O-N 3.16Å; L87-W89 VanDerWaalsContact C-N 3.31Å; L87-W89 PolarHBondContact O-N 3Å; L87-F90 PolarHBondContact O-N 3.38Å; L87-L91 HydrophobicContact CD1-CD1 3.8Å; L87-L91 HydrophobicContact CD1-CD2 4.14Å; L87-L91 HydrophobicContact CD1-CG 3.72Å; L87-L91 HydrophobicContact CD2-CD1 4.3Å; L87-L91 HydrophobicContact CG-CD1 3.74Å; L87-L91 HydrophobicContact CG-CG 4.03Å; L87-L91 WeakPolarHBondContact O-CB 3.24Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.1Å; L87-T100 HydrophobicContact CD1-CG2 4.3Å; L87-T100 HydrophobicContact CD2-CG2 4.46Å; L87-M102 HydrophobicContact CD2-CE 3.35Å; L87-Y110 HydrophobicContact CB-CE2 4.09Å; L87-Y110 HydrophobicContact CD2-CE2 3.77Å; L87-Y110 HydrophobicContact CG-CE2 4.37Å; L87-I142 HydrophobicContact CD2-CD1 3.87Å; L87-I142 HydrophobicContact CD2-CG1 4.41Å
88P98.1Very high97.4Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-59.8-42.9177-22.231.6000112.4Q92 Y110 L114 Y130 L135P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.88Å; P88-Y110 WeakPolarHBondContact CD-OH 3.37Å; P88-Y110 VanDerWaalsContact CG-OH 3.29Å; P88-Y110 WeakPolarHBondContact CG-OH 3.34Å; P88-L114 HydrophobicContact CG-CD1 3.49Å; P88-L114 VanDerWaalsContact CG-CD1 3.49Å; P88-Y130 HydrophobicContact CB-CD1 4.04Å; P88-Y130 HydrophobicContact CB-CD2 3.69Å; P88-Y130 HydrophobicContact CB-CE1 4.26Å; P88-Y130 HydrophobicContact CB-CE2 3.95Å; P88-Y130 HydrophobicContact CB-CG 3.73Å; P88-Y130 HydrophobicContact CG-CD1 4.36Å; P88-Y130 HydrophobicContact CG-CD2 3.93Å; P88-Y130 HydrophobicContact CG-CE1 4.08Å; P88-Y130 HydrophobicContact CG-CE2 3.63Å; P88-Y130 HydrophobicContact CG-CG 4.28Å; P88-L135 HydrophobicContact CG-CD1 3.9Å
89W97.7Very high97.4Very high36 Ų3631.8 Ų31.814%0.13615%0.154CC..Hα-helixtrans-61.5-47.3175.2173.792.8000110.8M57 L60 I63 A86 L87 L91 K93 T94 Y130M57-W89 HydrophobicContact CE-CZ2 4.02Å; L60-W89 HydrophobicContact CD1-CD2 3.93Å; L60-W89 HydrophobicContact CD1-CE3 4.09Å; L60-W89 HydrophobicContact CD1-CH2 3.94Å; L60-W89 HydrophobicContact CD1-CZ2 3.75Å; L60-W89 HydrophobicContact CD1-CZ3 4.1Å; L60-W89 HydrophobicContact CD2-CD2 4.3Å; L60-W89 HydrophobicContact CD2-CE3 4.13Å; I63-W89 HydrophobicContact CB-CH2 4.37Å; I63-W89 HydrophobicContact CB-CZ3 4.39Å; I63-W89 HydrophobicContact CG1-CZ3 4.15Å; I63-W89 HydrophobicContact CG2-CH2 4.19Å; I63-W89 HydrophobicContact CG2-CZ3 4.2Å; A86-W89 WeakPolarHBondContact O-CB 3.49Å; A86-W89 PolarHBondContact O-N 3.47Å; L87-W89 VanDerWaalsContact C-N 3.31Å; L87-W89 PolarHBondContact O-N 3Å; W89-L91 PolarHBondContact O-N 3.35Å; W89-K93 HydrophobicContact CG-CB 4.48Å; W89-K93 WeakPolarHBondContact O-CA 3.4Å; W89-K93 WeakPolarHBondContact O-CB 3.35Å; W89-K93 PolarHBondContact O-N 2.78Å; W89-T94 HydrophobicContact CD2-CG2 4.44Å; W89-T94 HydrophobicContact CE3-CG2 4.1Å; W89-T94 HydrophobicContact CH2-CG2 3.77Å; W89-T94 HydrophobicContact CZ2-CG2 4.13Å; W89-T94 HydrophobicContact CZ3-CG2 3.76Å; W89-Y130 HydrophobicContact CB-CD1 3.95Å
90F98.5Very high97.5Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-62.8-43.5-179.2-170.8-104.7000112.1M45 I63 P68 L74 A86 L87 T94 F96M45-F90 HydrophobicContact CE-CE1 4.19Å; M45-F90 HydrophobicContact CE-CE2 3.69Å; M45-F90 HydrophobicContact CE-CZ 3.49Å; M45-F90 VanDerWaalsContact CE-CZ 3.49Å; M45-F90 HydrophobicContact SD-CD1 4.44Å; M45-F90 HydrophobicContact SD-CE1 3.97Å; M45-F90 HydrophobicContact SD-CE2 4.28Å; M45-F90 HydrophobicContact SD-CZ 3.89Å; I63-F90 HydrophobicContact CD1-CE2 4.5Å; I63-F90 HydrophobicContact CG2-CD2 4.3Å; I63-F90 HydrophobicContact CG2-CE2 4.04Å; P68-F90 HydrophobicContact CB-CE2 3.86Å; P68-F90 HydrophobicContact CB-CZ 3.92Å; P68-F90 HydrophobicContact CG-CE2 4.01Å; L74-F90 HydrophobicContact CD2-CD1 3.9Å; L74-F90 HydrophobicContact CD2-CE1 4.07Å; A86-F90 PolarHBondContact O-N 3.31Å; L87-F90 PolarHBondContact O-N 3.38Å; F90-T94 HydrophobicContact CD2-CG2 4.08Å; F90-T94 WeakPolarHBondContact O-CB 3.48Å; F90-T94 PolarHBondContact O-OG1 3.27Å; F90-F96 HydrophobicContact CD1-CB 4.35Å; F90-F96 HydrophobicContact CD1-CD1 4.41Å; F90-F96 HydrophobicContact CD1-CD2 4.49Å; F90-F96 HydrophobicContact CD1-CG 4.17Å; F90-F96 HydrophobicContact CE1-CB 3.84Å; F90-F96 HydrophobicContact CE1-CD1 4.1Å; F90-F96 AromaticContact CE1-CD2 3.47Å; F90-F96 HydrophobicContact CE1-CD2 3.47Å; F90-F96 VanDerWaalsContact CE1-CD2 3.47Å; F90-F96 AromaticContact CE1-CE2 3.98Å; F90-F96 HydrophobicContact CE1-CE2 3.98Å; F90-F96 AromaticContact CE1-CG 3.52Å; F90-F96 HydrophobicContact CE1-CG 3.52Å; F90-F96 HydrophobicContact CE1-CZ 4.47Å; F90-F96 HydrophobicContact CZ-CB 4.09Å; F90-F96 AromaticContact CZ-CD2 3.88Å; F90-F96 HydrophobicContact CZ-CD2 3.88Å; F90-F96 HydrophobicContact CZ-CG 4.12Å
91L98.4Very high97.7Very high1 Ų130.3 Ų30.31%0.00515%0.147CC..Hα-helixtrans-75.5-30.4-176.9-66-177.6000114.2L74 L87 W89 F96 T100 K141 I142L74-L91 HydrophobicContact CD2-CD2 4.41Å; L87-L91 HydrophobicContact CD1-CD1 3.8Å; L87-L91 HydrophobicContact CD1-CD2 4.14Å; L87-L91 HydrophobicContact CD1-CG 3.72Å; L87-L91 HydrophobicContact CD2-CD1 4.3Å; L87-L91 HydrophobicContact CG-CD1 3.74Å; L87-L91 HydrophobicContact CG-CG 4.03Å; L87-L91 WeakPolarHBondContact O-CB 3.24Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.31Å; L87-L91 PolarHBondContact O-N 3.1Å; W89-L91 PolarHBondContact O-N 3.35Å; L91-F96 HydrophobicContact CD2-CD1 3.49Å; L91-F96 VanDerWaalsContact CD2-CD1 3.49Å; L91-F96 HydrophobicContact CD2-CE1 3.43Å; L91-F96 VanDerWaalsContact CD2-CE1 3.43Å; L91-T100 WeakPolarHBondContact CD2-OG1 3.46Å; L91-K141 HydrophobicContact CB-CD 4.23Å; L91-K141 HydrophobicContact CD1-CB 4.31Å; L91-K141 PolarHBondContact O-NZ 3.03Å; L91-I142 HydrophobicContact CD1-CD1 4.2Å; L91-I142 HydrophobicContact CD1-CG1 3.82Å
92Q97.6Very high97.9Very high51 Ų5129.6 Ų29.624%0.23814%0.143CC..Hα-helixtrans-105.8-32.7-174.3-60.5-56.2-17.400114.2P88 D134 D137P88-Q92 WeakPolarHBondContact O-CB 3.37Å; P88-Q92 PolarHBondContact O-N 2.88Å; Q92-D134 HydrophobicContact CG-CB 4.39Å; Q92-D134 WeakPolarHBondContact CG-O 3.35Å; Q92-D137 PolarHBondContact NE2-O 3.17Å
93K96.9Very high98Very high103 Ų10328.6 Ų28.645%0.44814%0.138SC..Hα-helixtrans-108.39.6-170.5-57.7-165.1175.7-1790113.8W89 L129 D134W89-K93 HydrophobicContact CG-CB 4.48Å; W89-K93 WeakPolarHBondContact O-CA 3.4Å; W89-K93 WeakPolarHBondContact O-CB 3.35Å; W89-K93 PolarHBondContact O-N 2.78Å; K93-L129 PolarHBondContact NZ-O 3.28Å; K93-D134 WeakPolarHBondContact CE-OD2 3.23Å; K93-D134 IonicContact NZ-OD2 3.22Å
94T97.9Very high98Very high35 Ų3531.6 Ų31.622%0.21515%0.152CC..SBendtrans-124176.1175.883.80000112.3W89 F90 F96W89-T94 HydrophobicContact CD2-CG2 4.44Å; W89-T94 HydrophobicContact CE3-CG2 4.1Å; W89-T94 HydrophobicContact CH2-CG2 3.77Å; W89-T94 HydrophobicContact CZ2-CG2 4.13Å; W89-T94 HydrophobicContact CZ3-CG2 3.76Å; F90-T94 HydrophobicContact CD2-CG2 4.08Å; F90-T94 WeakPolarHBondContact O-CB 3.48Å; F90-T94 PolarHBondContact O-OG1 3.27Å; T94-F96 PolarHBondContact O-N 3.31Å; T94-F96 WeakPolarHBondContact OG1-CB 3.44Å; T94-F96 PolarHBondContact OG1-N 3.23Å
95S98Very high97.9Very high55 Ų5531.8 Ų31.839%0.38515%0.153SC..  trans-786.1177.1560000114.4D67 A69 K97D67-S95 PolarHBondContact OD1-OG 3.48Å; A69-S95 PolarHBondContact N-OG 3.41Å; S95-K97 WeakPolarHBondContact O-CG 3.31Å
96F98.4Very high97.9Very high19 Ų1931.8 Ų31.88%0.08315%0.153CC..  trans-59.2133-176.5177.1-104.9000113.4P68 I71 L74 F90 L91 T94 G98P68-F96 HydrophobicContact CB-CB 3.99Å; P68-F96 WeakPolarHBondContact O-CA 3.25Å; P68-F96 WeakPolarHBondContact O-CD2 3.38Å; I71-F96 HydrophobicContact CB-CD2 4.01Å; I71-F96 HydrophobicContact CB-CE2 3.88Å; I71-F96 HydrophobicContact CG2-CD2 4.43Å; I71-F96 HydrophobicContact CG2-CE2 3.87Å; I71-F96 WeakPolarHBondContact O-CE2 3.5Å; L74-F96 HydrophobicContact CB-CZ 4.1Å; F90-F96 HydrophobicContact CD1-CB 4.35Å; F90-F96 HydrophobicContact CD1-CD1 4.41Å; F90-F96 HydrophobicContact CD1-CD2 4.49Å; F90-F96 HydrophobicContact CD1-CG 4.17Å; F90-F96 HydrophobicContact CE1-CB 3.84Å; F90-F96 HydrophobicContact CE1-CD1 4.1Å; F90-F96 AromaticContact CE1-CD2 3.47Å; F90-F96 HydrophobicContact CE1-CD2 3.47Å; F90-F96 VanDerWaalsContact CE1-CD2 3.47Å; F90-F96 AromaticContact CE1-CE2 3.98Å; F90-F96 HydrophobicContact CE1-CE2 3.98Å; F90-F96 AromaticContact CE1-CG 3.52Å; F90-F96 HydrophobicContact CE1-CG 3.52Å; F90-F96 HydrophobicContact CE1-CZ 4.47Å; F90-F96 HydrophobicContact CZ-CB 4.09Å; F90-F96 AromaticContact CZ-CD2 3.88Å; F90-F96 HydrophobicContact CZ-CD2 3.88Å; F90-F96 HydrophobicContact CZ-CG 4.12Å; L91-F96 HydrophobicContact CD2-CD1 3.49Å; L91-F96 VanDerWaalsContact CD2-CD1 3.49Å; L91-F96 HydrophobicContact CD2-CE1 3.43Å; L91-F96 VanDerWaalsContact CD2-CE1 3.43Å; T94-F96 PolarHBondContact O-N 3.31Å; T94-F96 WeakPolarHBondContact OG1-CB 3.44Å; T94-F96 PolarHBondContact OG1-N 3.23Å; F96-G98 VanDerWaalsContact CE1-O 3.27Å; F96-G98 WeakPolarHBondContact CE1-O 3.5Å; F96-G98 VanDerWaalsContact CZ-CA 3.42Å; F96-G98 WeakPolarHBondContact CZ-O 3.47Å
97K96.5Very high97.9Very high178 Ų17833.9 Ų33.977%0.77416%0.162SC*.  trans-132.72.7179.5-55.6179.1-170.2175.90113.6S95S95-K97 WeakPolarHBondContact O-CG 3.31Å
98G97.2Very high97.7Very high22 Ų2234.9 Ų34.923%0.22717%0.171CC..SBendtrans-71.6-176.8178.700000112.7I71 D72 F96I71-G98 WeakPolarHBondContact O-CA 3.44Å; D72-G98 WeakPolarHBondContact O-CA 3.46Å; F96-G98 VanDerWaalsContact CE1-O 3.27Å; F96-G98 WeakPolarHBondContact CE1-O 3.5Å; F96-G98 VanDerWaalsContact CZ-CA 3.42Å; F96-G98 WeakPolarHBondContact CZ-O 3.47Å
99R98.5Very high97.5Very high99 Ų9934.9 Ų34.937%0.37417%0.171SC..EExtended strand (participates in β ladder)trans-101139.6178.8-64.2172.966.4-176.11.4110.5D72 L73 L74 F101 E143D72-R99 PolarHBondContact O-N 3.21Å; D72-R99 VanDerWaalsContact O-N 3.09Å; L73-R99 WeakPolarHBondContact CA-O 3.35Å; L74-R99 PolarHBondContact N-O 2.92Å; R99-F101 HydrophobicContact CB-CE2 3.78Å; R99-E143 IonicContact CZ-OE1 3.27Å; R99-E143 VanDerWaalsContact CZ-OE1 3.27Å; R99-E143 IonicContact CZ-OE2 3.81Å; R99-E143 IonicContact NE-OE1 3.55Å; R99-E143 PolarHBondContact NE-OE1 2.82Å; R99-E143 IonicContact NE-OE2 3.14Å; R99-E143 VanDerWaalsContact NH2-CD 3.27Å; R99-E143 IonicContact NH2-OE1 3.35Å; R99-E143 PolarHBondContact NH2-OE1 3.43Å; R99-E143 IonicContact NH2-OE2 2.7Å; R99-E143 PolarHBondContact NH2-OE2 2.83Å
100T98.8Very high97.4Very high0 Ų033.2 Ų33.20%016%0.164CC..EExtended strand (participates in β ladder)trans-114.4135.8-178.9-590000110.8L74 I76 L87 L91 I142 E143L74-T100 HydrophobicContact CB-CG2 4.27Å; L74-T100 HydrophobicContact CD2-CG2 4.03Å; L74-T100 HydrophobicContact CG-CG2 3.97Å; L74-T100 CarbonylContact O-C 3.55Å; L74-T100 VanDerWaalsContact O-CA 3.29Å; L74-T100 WeakPolarHBondContact O-CA 3.38Å; I76-T100 HydrophobicContact CG1-CG2 4.26Å; L87-T100 HydrophobicContact CD1-CG2 4.3Å; L87-T100 HydrophobicContact CD2-CG2 4.46Å; L91-T100 WeakPolarHBondContact CD2-OG1 3.46Å; T100-I142 HydrophobicContact CG2-CG1 4.14Å; T100-I142 HydrophobicContact CG2-CG2 4.48Å; T100-E143 WeakPolarHBondContact O-CB 3.46Å; T100-E143 PolarHBondContact O-N 3.34Å
101F98.9Very high97.2Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-126.1139.1179.2-68.3-95.5000113.1L73 L74 L75 I76 R99 E143 I145 K151 V153 F158L73-F101 HydrophobicContact CD1-CD2 3.58Å; L73-F101 HydrophobicContact CD1-CE2 3.6Å; L74-F101 PolarHBondContact O-N 3.1Å; L75-F101 HydrophobicContact CD2-CB 3.87Å; L75-F101 HydrophobicContact CD2-CD2 4.29Å; L75-F101 HydrophobicContact CD2-CG 4.42Å; I76-F101 PolarHBondContact N-O 3.04Å; R99-F101 HydrophobicContact CB-CE2 3.78Å; F101-E143 WeakPolarHBondContact CA-O 3.45Å; F101-E143 HydrophobicContact CD1-CB 3.7Å; F101-E143 HydrophobicContact CE1-CB 3.51Å; F101-E143 HydrophobicContact CE1-CG 4.35Å; F101-E143 HydrophobicContact CG-CB 4.35Å; F101-E143 HydrophobicContact CZ-CB 4.03Å; F101-E143 HydrophobicContact CZ-CG 4.46Å; F101-I145 HydrophobicContact CD1-CB 4.33Å; F101-K151 HydrophobicContact CD1-CD 4.11Å; F101-K151 HydrophobicContact CE1-CD 3.52Å; F101-K151 HydrophobicContact CZ-CD 4.3Å; F101-V153 HydrophobicContact CE2-CG2 3.89Å; F101-V153 HydrophobicContact CZ-CG2 4.05Å; F101-F158 HydrophobicContact CB-CE2 4.27Å; F101-F158 HydrophobicContact CD1-CE2 4.13Å; F101-F158 HydrophobicContact CD1-CZ 4.09Å; F101-F158 HydrophobicContact CD2-CE2 4.06Å; F101-F158 AromaticContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CE1-CZ 4.1Å; F101-F158 HydrophobicContact CE2-CE1 4.46Å; F101-F158 HydrophobicContact CE2-CE2 4.48Å; F101-F158 AromaticContact CE2-CZ 3.65Å; F101-F158 HydrophobicContact CE2-CZ 3.65Å; F101-F158 AromaticContact CG-CE2 3.87Å; F101-F158 HydrophobicContact CG-CE2 3.87Å; F101-F158 AromaticContact CG-CZ 3.86Å; F101-F158 HydrophobicContact CG-CZ 3.86Å; F101-F158 AromaticContact CZ-CZ 3.88Å; F101-F158 HydrophobicContact CZ-CZ 3.88Å
102M98.8Very high96.8Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-132.6162.6169.5-79.2175.817400109.7I76 C84 L87 T106 K107 Y110 I142 E143 T144 I145I76-M102 HydrophobicContact CB-CE 3.91Å; I76-M102 HydrophobicContact CB-CG 3.71Å; I76-M102 HydrophobicContact CG1-CE 3.95Å; I76-M102 HydrophobicContact CG1-CG 4.23Å; I76-M102 HydrophobicContact CG2-CE 3.62Å; I76-M102 HydrophobicContact CG2-CG 4.15Å; C84-M102 HydrophobicContact CB-CE 4.21Å; L87-M102 HydrophobicContact CD2-CE 3.35Å; M102-T106 HydrophobicContact CB-CG2 4.14Å; M102-T106 HydrophobicContact CE-CG2 4.34Å; M102-T106 HydrophobicContact CG-CG2 3.84Å; M102-T106 HydrophobicContact SD-CG2 3.91Å; M102-K107 HydrophobicContact CB-CB 4.15Å; M102-K107 HydrophobicContact SD-CB 4.04Å; M102-K107 HydrophobicContact SD-CG 4.49Å; M102-Y110 HydrophobicContact CE-CD1 4.48Å; M102-Y110 HydrophobicContact CE-CD2 3.63Å; M102-Y110 HydrophobicContact CE-CE2 3.98Å; M102-Y110 HydrophobicContact CE-CG 3.89Å; M102-Y110 HydrophobicContact SD-CG 4.31Å; M102-I142 HydrophobicContact CB-CG2 4.03Å; M102-I142 HydrophobicContact CE-CD1 4.34Å; M102-I142 HydrophobicContact CG-CG2 3.92Å; M102-I142 HydrophobicContact SD-CD1 4.3Å; M102-I142 HydrophobicContact SD-CG2 3.72Å; M102-E143 PolarHBondContact N-O 2.97Å; M102-T144 CarbonylContact O-C 3.54Å; M102-T144 VanDerWaalsContact O-CA 3.24Å; M102-T144 WeakPolarHBondContact O-CA 3.42Å; M102-I145 PolarHBondContact O-N 2.81Å
103T98.5Very high96.4Very high2 Ų235.9 Ų35.91%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-70.1161.4161.5710000110.7A105 T106 K107 F147 G168 A170T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.44Å; T103-T106 PolarHBondContact O-N 3.32Å; T103-T106 WeakPolarHBondContact OG1-CB 3.47Å; T103-T106 PolarHBondContact OG1-N 3.08Å; T103-T106 PolarHBondContact OG1-OG1 3.37Å; T103-K107 PolarHBondContact O-N 3.11Å; T103-F147 HydrophobicContact CG2-CE1 4.01Å; T103-F147 HydrophobicContact CG2-CE2 4.28Å; T103-F147 HydrophobicContact CG2-CZ 3.78Å; T103-G168 VanDerWaalsContact CG2-O 3.31Å; T103-G168 WeakPolarHBondContact CG2-O 3.27Å; T103-G168 PolarHBondContact OG1-O 3.06Å; T103-A170 HydrophobicContact CG2-CB 3.6Å
104H97.5Very high96.2Very high63 Ų6331 Ų3129%0.29215%0.152SC..Hα-helixtrans-56.4-46.1179.3-68.9-83000112.9A108 T144 N146 Y292H104-A108 PolarHBondContact O-N 3.25Å; H104-T144 VanDerWaalsContact CE1-CB 3.46Å; H104-T144 WeakPolarHBondContact CE1-CB 3.36Å; H104-T144 PolarHBondContact CE1-OG1 3.11Å; H104-N146 PolarHBondContact CD2-OD1 2.89Å; H104-N146 PolarHBondContact NE2-OD1 2.81Å; H104-N146 VanDerWaalsContact NE2-OD1 3.11Å; H104-Y292 HydrophobicContact CB-CE1 3.7Å; H104-Y292 PolarHBondContact O-OH 2.94Å
105A95.9Very high95.7Very high4 Ų429.3 Ų29.33%0.03314%0.141CC..Hα-helixtrans-66.8-43.3178.900000111.7T103 K107 A108 I109 L167 Y292T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.44Å; A105-K107 PolarHBondContact O-N 3.22Å; A105-A108 PolarHBondContact O-N 3.39Å; A105-I109 WeakPolarHBondContact O-CB 3.49Å; A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.34Å; A105-I109 PolarHBondContact O-N 3.1Å; A105-L167 HydrophobicContact CB-CG 4.27Å; A105-Y292 HydrophobicContact CB-CD1 4.13Å; A105-Y292 HydrophobicContact CB-CD2 4.12Å; A105-Y292 HydrophobicContact CB-CG 3.85Å
106T97.4Very high95.1Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-57.3-48.6176.7-630000111.4F79 M102 T103 A108 I109 Y110 G168F79-T106 HydrophobicContact CB-CG2 4.17Å; M102-T106 HydrophobicContact CB-CG2 4.14Å; M102-T106 HydrophobicContact CE-CG2 4.34Å; M102-T106 HydrophobicContact CG-CG2 3.84Å; M102-T106 HydrophobicContact SD-CG2 3.91Å; T103-T106 PolarHBondContact O-N 3.32Å; T103-T106 WeakPolarHBondContact OG1-CB 3.47Å; T103-T106 PolarHBondContact OG1-N 3.08Å; T103-T106 PolarHBondContact OG1-OG1 3.37Å; T106-A108 VanDerWaalsContact C-N 3.35Å; T106-A108 PolarHBondContact O-N 3.07Å; T106-I109 PolarHBondContact O-N 2.99Å; T106-Y110 WeakPolarHBondContact O-CB 3.38Å; T106-Y110 PolarHBondContact O-N 3.03Å; T106-G168 PolarHBondContact OG1-O 2.81Å; T106-G168 VanDerWaalsContact OG1-O 3.07Å
107K97.6Very high94.5Very high43 Ų4329.1 Ų29.119%0.18713%0.133CC..Hα-helixtrans-60.9-41.3178.8-174.4178.5-179.9178.10112.6M102 T103 A105 M139 I142 T144M102-K107 HydrophobicContact CB-CB 4.15Å; M102-K107 HydrophobicContact SD-CB 4.04Å; M102-K107 HydrophobicContact SD-CG 4.49Å; T103-K107 PolarHBondContact O-N 3.11Å; A105-K107 PolarHBondContact O-N 3.22Å; K107-M139 HydrophobicContact CD-CE 4.44Å; K107-M139 WeakPolarHBondContact CE-O 3.45Å; K107-M139 HydrophobicContact CG-CE 3.81Å; K107-M139 HydrophobicContact CG-SD 4.48Å; K107-M139 PolarHBondContact NZ-O 3.46Å; K107-I142 HydrophobicContact CD-CB 4.28Å; K107-I142 HydrophobicContact CD-CG2 3.93Å; K107-I142 WeakPolarHBondContact CE-O 3.39Å; K107-I142 HydrophobicContact CG-CG2 4.13Å; K107-I142 PolarHBondContact NZ-O 3.42Å; K107-T144 HydrophobicContact CB-CG2 4.1Å; K107-T144 HydrophobicContact CD-CG2 3.61Å; K107-T144 HydrophobicContact CG-CG2 4.47Å
108A95.2Very high94Very high22 Ų2221.6 Ų21.618%0.18210%0.102CC..Hα-helixtrans-68.8-39.3-179.500000112.7H104 A105 T106 W112 V288 Y292H104-A108 PolarHBondContact O-N 3.25Å; A105-A108 PolarHBondContact O-N 3.39Å; T106-A108 VanDerWaalsContact C-N 3.35Å; T106-A108 PolarHBondContact O-N 3.07Å; A108-W112 VanDerWaalsContact O-CD1 3.27Å; A108-V288 HydrophobicContact CB-CG1 3.94Å; A108-Y292 HydrophobicContact CB-CD2 4.49Å; A108-Y292 HydrophobicContact CB-CE2 3.46Å; A108-Y292 VanDerWaalsContact CB-CE2 3.46Å
109I93.9Very high93.2Very high0 Ų025.8 Ų25.80%011%0.114CC..Hα-helixtrans-73.8-41.2179.2-65.4171.8000110.6F79 A105 T106 R111 W112 L113 L167 L250 V288 Y289F79-I109 HydrophobicContact CB-CB 4.26Å; F79-I109 HydrophobicContact CB-CG2 3.97Å; F79-I109 HydrophobicContact CD1-CB 3.88Å; F79-I109 HydrophobicContact CD1-CD1 3.69Å; F79-I109 HydrophobicContact CD1-CG1 4.39Å; F79-I109 HydrophobicContact CD1-CG2 3.63Å; F79-I109 HydrophobicContact CD2-CG2 3.66Å; F79-I109 HydrophobicContact CE1-CB 4.35Å; F79-I109 HydrophobicContact CE1-CD1 3.43Å; F79-I109 VanDerWaalsContact CE1-CD1 3.43Å; F79-I109 HydrophobicContact CE1-CG1 4.47Å; F79-I109 HydrophobicContact CE1-CG2 3.91Å; F79-I109 HydrophobicContact CE2-CG2 3.95Å; F79-I109 HydrophobicContact CG-CB 4.04Å; F79-I109 HydrophobicContact CG-CG2 3.47Å; F79-I109 VanDerWaalsContact CG-CG2 3.47Å; F79-I109 HydrophobicContact CZ-CD1 4.17Å; F79-I109 HydrophobicContact CZ-CG2 4.04Å; A105-I109 WeakPolarHBondContact O-CB 3.49Å; A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.34Å; A105-I109 PolarHBondContact O-N 3.1Å; T106-I109 PolarHBondContact O-N 2.99Å; I109-R111 VanDerWaalsContact C-N 3.31Å; I109-R111 PolarHBondContact O-N 3.06Å; I109-W112 PolarHBondContact O-N 2.84Å; I109-L113 WeakPolarHBondContact O-CB 3.26Å; I109-L113 PolarHBondContact O-N 3Å; I109-L167 HydrophobicContact CD1-CB 4.18Å; I109-L167 HydrophobicContact CD1-CD2 4.22Å; I109-L167 HydrophobicContact CD1-CG 4.42Å; I109-L250 HydrophobicContact CG2-CB 3.94Å; I109-L250 HydrophobicContact CG2-CD1 3.71Å; I109-L250 HydrophobicContact CG2-CD2 4.02Å; I109-L250 HydrophobicContact CG2-CG 4.09Å; I109-V288 HydrophobicContact CD1-CG1 4.43Å; I109-V288 HydrophobicContact CG1-CG1 3.58Å; I109-Y289 HydrophobicContact CD1-CE2 4.04Å
110Y95.5Very high92.1Very high0 Ų022.4 Ų22.40%010%0.104CC..Hα-helixtrans-47.2-48.6176.8162.8-94.7000112.9C84 L87 P88 M102 T106 W112 L113 L114 L135 S138 M139 I142C84-Y110 HydrophobicContact CB-CD2 4.13Å; C84-Y110 HydrophobicContact CB-CE2 4.36Å; L87-Y110 HydrophobicContact CB-CE2 4.09Å; L87-Y110 HydrophobicContact CD2-CE2 3.77Å; L87-Y110 HydrophobicContact CG-CE2 4.37Å; P88-Y110 WeakPolarHBondContact CD-OH 3.37Å; P88-Y110 VanDerWaalsContact CG-OH 3.29Å; P88-Y110 WeakPolarHBondContact CG-OH 3.34Å; M102-Y110 HydrophobicContact CE-CD1 4.48Å; M102-Y110 HydrophobicContact CE-CD2 3.63Å; M102-Y110 HydrophobicContact CE-CE2 3.98Å; M102-Y110 HydrophobicContact CE-CG 3.89Å; M102-Y110 HydrophobicContact SD-CG 4.31Å; T106-Y110 WeakPolarHBondContact O-CB 3.38Å; T106-Y110 PolarHBondContact O-N 3.03Å; Y110-W112 VanDerWaalsContact C-N 3.25Å; Y110-W112 PolarHBondContact O-N 2.97Å; Y110-L113 PolarHBondContact O-N 3.26Å; Y110-L114 HydrophobicContact CD2-CD1 3.63Å; Y110-L114 HydrophobicContact CD2-CG 3.98Å; Y110-L114 HydrophobicContact CE2-CD1 3.12Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CB 3.37Å; Y110-L114 PolarHBondContact O-N 2.9Å; Y110-L135 HydrophobicContact CD1-CD1 4.25Å; Y110-L135 HydrophobicContact CE1-CD1 3.52Å; Y110-L135 HydrophobicContact CE2-CD1 4.46Å; Y110-S138 PolarHBondContact OH-OG 3.15Å; Y110-M139 HydrophobicContact CD1-SD 3.54Å; Y110-M139 VanDerWaalsContact CD1-SD 3.54Å; Y110-M139 HydrophobicContact CE1-SD 3.62Å; Y110-I142 HydrophobicContact CD1-CD1 4.19Å; Y110-I142 HydrophobicContact CE1-CD1 3.61Å
111R94.1Very high90.8Very high34 Ų3423.5 Ų23.513%0.12811%0.112CC..Hα-helixtrans-56.9-38.1179.8173.858.3-173.885.6-6.6113.1I109 S115 E132 E136 M139I109-R111 VanDerWaalsContact C-N 3.31Å; I109-R111 PolarHBondContact O-N 3.06Å; R111-S115 WeakPolarHBondContact O-CB 3.49Å; R111-E132 IonicContact CZ-OE1 2.72Å; R111-E132 IonicContact NH1-OE1 2.81Å; R111-E132 PolarHBondContact NH1-OE1 3Å; R111-E132 VanDerWaalsContact NH1-OE1 3.08Å; R111-E132 IonicContact NH2-OE1 2.73Å; R111-E132 PolarHBondContact NH2-OE1 3.12Å; R111-E136 IonicContact CZ-OE1 3.72Å; R111-E136 IonicContact NE-OE1 3.65Å; R111-E136 IonicContact NH2-OE1 3.51Å; R111-E136 PolarHBondContact NH2-OE1 3.15Å; R111-M139 HydrophobicContact CB-CE 3.77Å; R111-M139 HydrophobicContact CB-SD 3.89Å; R111-M139 HydrophobicContact CG-CE 4.42Å
112W90.4Very high89.1Confident64 Ų6429 Ų2924%0.24214%0.142CC..Hα-helixtrans-87.1-41.1-177-62.4113.5000111.5A108 I109 Y110 S115 D116 L250 L281 K284A108-W112 VanDerWaalsContact O-CD1 3.27Å; I109-W112 PolarHBondContact O-N 2.84Å; Y110-W112 VanDerWaalsContact C-N 3.25Å; Y110-W112 PolarHBondContact O-N 2.97Å; W112-S115 WeakPolarHBondContact O-CB 3.44Å; W112-S115 PolarHBondContact O-N 2.93Å; W112-D116 PolarHBondContact O-N 2.82Å; W112-L250 HydrophobicContact CB-CD1 4.28Å; W112-L281 HydrophobicContact CE3-CD2 3.93Å; W112-L281 WeakPolarHBondContact O-CD1 3.22Å; W112-K284 HydrophobicContact CD2-CB 4.44Å; W112-K284 HydrophobicContact CD2-CD 4.14Å; W112-K284 HydrophobicContact CE3-CD 3.74Å; W112-K284 HydrophobicContact CH2-CD 3.64Å; W112-K284 VanDerWaalsContact CH2-NZ 3.33Å; W112-K284 HydrophobicContact CZ2-CD 3.98Å; W112-K284 HydrophobicContact CZ3-CD 3.51Å
113L89.4Confident87.6Confident10 Ų1031.8 Ų31.85%0.05216%0.156CC..Hα-helixtrans-61.6-47.2179-167155.5000111.2F79 L81 I109 Y110 S115 D116 Y117 L250F79-L113 HydrophobicContact CD2-CD1 3.52Å; F79-L113 HydrophobicContact CE2-CD1 4.02Å; F79-L113 WeakPolarHBondContact O-CD1 3.14Å; L81-L113 HydrophobicContact CD1-CD2 4.48Å; L81-L113 HydrophobicContact CD2-CD2 3.37Å; L81-L113 HydrophobicContact CG-CD2 3.69Å; I109-L113 WeakPolarHBondContact O-CB 3.26Å; I109-L113 PolarHBondContact O-N 3Å; Y110-L113 PolarHBondContact O-N 3.26Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.46Å; L113-D116 WeakPolarHBondContact O-CB 3.29Å; L113-D116 PolarHBondContact O-N 3.46Å; L113-D116 VanDerWaalsContact O-N 3.13Å; L113-Y117 PolarHBondContact O-N 3.31Å; L113-L250 HydrophobicContact CB-CD1 4.06Å; L113-L250 HydrophobicContact CD1-CB 4.23Å
114L91.3Very high85.8Confident0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-70.2-26.8178.5-64.6-162.2000113.1L81 P88 Y110 D116 Y117 V118 L135L81-L114 HydrophobicContact CD2-CD2 3.29Å; P88-L114 HydrophobicContact CG-CD1 3.49Å; P88-L114 VanDerWaalsContact CG-CD1 3.49Å; Y110-L114 HydrophobicContact CD2-CD1 3.63Å; Y110-L114 HydrophobicContact CD2-CG 3.98Å; Y110-L114 HydrophobicContact CE2-CD1 3.12Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CB 3.37Å; Y110-L114 PolarHBondContact O-N 2.9Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-Y117 PolarHBondContact O-N 2.99Å; L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.47Å; L114-V118 PolarHBondContact O-N 2.97Å; L114-L135 HydrophobicContact CB-CD1 3.76Å; L114-L135 HydrophobicContact CB-CD2 3.67Å; L114-L135 HydrophobicContact CB-CG 4.36Å; L114-L135 HydrophobicContact CD1-CD1 3.85Å; L114-L135 HydrophobicContact CG-CD1 4.32Å
115S89Confident84.2Confident0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-65.4-37.8169.9-179.50000111.5R111 W112 L113 K119 E132R111-S115 WeakPolarHBondContact O-CB 3.49Å; W112-S115 WeakPolarHBondContact O-CB 3.44Å; W112-S115 PolarHBondContact O-N 2.93Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.46Å; S115-K119 WeakPolarHBondContact O-CG 3.34Å; S115-K119 PolarHBondContact O-N 3.45Å; S115-K119 PolarHBondContact OG-NZ 3.35Å; S115-E132 PolarHBondContact OG-OE1 3.36Å
116D84.3Confident82.8Confident14 Ų1442.9 Ų42.98%0.07523%0.234CC..Hα-helixtrans-63.7-47.1172-149.839.3000110.5W112 L113 L114 V118 K119 V120 L281 S335W112-D116 PolarHBondContact O-N 2.82Å; L113-D116 WeakPolarHBondContact O-CB 3.29Å; L113-D116 PolarHBondContact O-N 3.46Å; L113-D116 VanDerWaalsContact O-N 3.13Å; L114-D116 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 3.21Å; D116-K119 PolarHBondContact O-N 3.24Å; D116-V120 WeakPolarHBondContact O-CB 3.24Å; D116-V120 VanDerWaalsContact O-CG2 3.26Å; D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.16Å; D116-L281 HydrophobicContact CB-CD1 3.44Å; D116-L281 VanDerWaalsContact CB-CD1 3.44Å; D116-S335 PolarHBondContact OD2-OG 2.72Å
117Y85.9Confident81.9Confident56 Ų5647.8 Ų47.822%0.2226%0.26CS..Hα-helixtrans-57.5-47.7-179.6171.1-105.6000112.3I50 L81 L113 L114 K119 V120 S121 Y130I50-Y117 HydrophobicContact CD1-CD2 4.28Å; I50-Y117 HydrophobicContact CD1-CE1 3.84Å; I50-Y117 HydrophobicContact CD1-CE2 3.53Å; I50-Y117 VanDerWaalsContact CD1-OH 3.29Å; I50-Y117 WeakPolarHBondContact CD1-OH 3.21Å; L81-Y117 HydrophobicContact CD1-CD2 3.82Å; L81-Y117 HydrophobicContact CD1-CE2 4.49Å; L81-Y117 HydrophobicContact CD1-CG 4.38Å; L81-Y117 HydrophobicContact CD2-CD2 4.17Å; L81-Y117 HydrophobicContact CD2-CG 3.95Å; L113-Y117 PolarHBondContact O-N 3.31Å; L114-Y117 PolarHBondContact O-N 2.99Å; Y117-K119 PolarHBondContact O-N 3.31Å; Y117-V120 PolarHBondContact O-N 3.31Å; Y117-S121 WeakPolarHBondContact O-CB 3.33Å; Y117-S121 PolarHBondContact O-N 3.06Å; Y117-Y130 WeakPolarHBondContact CD1-OH 3.1Å
118V85.9Confident81.3Confident20 Ų2048.1 Ų48.112%0.12126%0.263CS..Hα-helixtrans-62.4-32.7177.4174.80000111.5L114 D116 M128 Y130L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.47Å; L114-V118 PolarHBondContact O-N 2.97Å; D116-V118 PolarHBondContact O-N 3.21Å; V118-M128 HydrophobicContact CG1-CE 3.9Å; V118-M128 WeakPolarHBondContact O-CE 3.28Å; V118-Y130 HydrophobicContact CG2-CD2 3.91Å; V118-Y130 HydrophobicContact CG2-CE2 3.49Å; V118-Y130 VanDerWaalsContact CG2-CE2 3.49Å
119K80.3Confident81.1Confident111 Ų11147.9 Ų47.948%0.48326%0.258SS..Hα-helixtrans-78.2-35.6177.4-73.5171.7-175.91640114S115 D116 Y117S115-K119 WeakPolarHBondContact O-CG 3.34Å; S115-K119 PolarHBondContact O-N 3.45Å; S115-K119 PolarHBondContact OG-NZ 3.35Å; D116-K119 PolarHBondContact O-N 3.24Å; Y117-K119 PolarHBondContact O-N 3.31Å
120V75Confident81.1Confident27 Ų2748.1 Ų48.116%0.16426%0.259CS..Hα-helixtrans-80-24.5-178.11710000111.4D116 Y117 N122 P336 S341D116-V120 WeakPolarHBondContact O-CB 3.24Å; D116-V120 VanDerWaalsContact O-CG2 3.26Å; D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.16Å; Y117-V120 PolarHBondContact O-N 3.31Å; V120-N122 PolarHBondContact O-N 3.12Å; V120-N122 VanDerWaalsContact O-N 3.08Å; V120-P336 HydrophobicContact CG1-CB 4.46Å; V120-P336 HydrophobicContact CG1-CG 4Å; V120-S341 WeakPolarHBondContact CG1-OG 3.42Å; V120-S341 PolarHBondContact O-OG 2.55Å
121S71.8Confident80.9Confident23 Ų2351.1 Ų51.116%0.16128%0.277CS..  trans-64.8107.4174.4-171.30000110.4Y117 I123Y117-S121 WeakPolarHBondContact O-CB 3.33Å; Y117-S121 PolarHBondContact O-N 3.06Å; S121-I123 PolarHBondContact O-N 3.48Å; S121-I123 VanDerWaalsContact O-N 3.16Å; S121-I123 WeakPolarHBondContact OG-CD1 3.31Å; S121-I123 VanDerWaalsContact OG-CG1 3.32Å; S121-I123 WeakPolarHBondContact OG-CG1 3.42Å
122N63.8Low80.8Confident116 Ų11652.3 Ų52.362%0.6228%0.284SS*.  trans-80.521.2176.1-87.90.5000112.8V120 M384V120-N122 PolarHBondContact O-N 3.12Å; V120-N122 VanDerWaalsContact O-N 3.08Å; N122-M384 VanDerWaalsContact ND2-CE 3.27Å; N122-M384 WeakPolarHBondContact ND2-CE 2.82Å
123I66.9Low80.9Confident58 Ų5853.3 Ų53.330%0.29730%0.298SS..  trans-78.7145.3-177.6-62.4178.2000109.2S121 D127S121-I123 PolarHBondContact O-N 3.48Å; S121-I123 VanDerWaalsContact O-N 3.16Å; S121-I123 WeakPolarHBondContact OG-CD1 3.31Å; S121-I123 VanDerWaalsContact OG-CG1 3.32Å; S121-I123 WeakPolarHBondContact OG-CG1 3.42Å; I123-D127 HydrophobicContact CG2-CB 3.3Å
124S61.6Low81.3Confident58 Ų5854.2 Ų54.241%0.40630%0.303SS..  trans-56.9149.5175.488.30000110.5D126 D127 M128S124-D126 PolarHBondContact O-N 3.46Å; S124-D127 PolarHBondContact O-N 3.21Å; S124-D127 PolarHBondContact OG-OD2 3.39Å; S124-M128 PolarHBondContact O-N 3.29Å
125A64.1Low81.5Confident88 Ų8854.2 Ų54.273%0.72730%0.303SS*.THydrogen-bonded Turntrans-57.9-25.8-178.300000113.2
126D66.3Low81.8Confident157 Ų15758.7 Ų58.784%0.8432%0.324SS*.THydrogen-bonded Turntrans-77.1-24.8179.9-66.9-29.5000112.9S124S124-D126 PolarHBondContact O-N 3.46Å
127D77.5Confident82.4Confident102 Ų10262 Ų6255%0.54534%0.341SS..THydrogen-bonded Turntrans-100.4-0.4-177.7-62.7-49.2000112.8I123 S124I123-D127 HydrophobicContact CG2-CB 3.3Å; S124-D127 PolarHBondContact O-N 3.21Å; S124-D127 PolarHBondContact OG-OD2 3.39Å
128M85.7Confident83Confident51 Ų5159.4 Ų59.425%0.25133%0.331SS..  trans-72.3128.6175.9-78.1-172.8134.500111.9V118 S124 Y130V118-M128 HydrophobicContact CG1-CE 3.9Å; V118-M128 WeakPolarHBondContact O-CE 3.28Å; S124-M128 PolarHBondContact O-N 3.29Å; M128-Y130 VanDerWaalsContact C-N 3.3Å; M128-Y130 PolarHBondContact O-N 3.43Å
129L90.1Very high83.5Confident17 Ų1760 Ų609%0.08933%0.333CS..SBendtrans-57.5-42.8175.9-66172.1000112I50 M57 L60 K93I50-L129 HydrophobicContact CG2-CD1 3.97Å; M57-L129 HydrophobicContact SD-CD2 3.71Å; L60-L129 HydrophobicContact CD1-CD2 3.96Å; L60-L129 HydrophobicContact CD2-CD1 3.98Å; L60-L129 HydrophobicContact CD2-CD2 4.15Å; L60-L129 HydrophobicContact CG-CD1 4.47Å; L60-L129 HydrophobicContact CG-CD2 4.01Å; K93-L129 PolarHBondContact NZ-O 3.28Å
130Y93.6Very high84.3Confident4 Ų462 Ų622%0.01635%0.349CS..  trans-158163.7-177.256.7-94.3000111.9G85 P88 W89 Y117 V118 M128G85-Y130 WeakPolarHBondContact O-CE1 3.46Å; G85-Y130 PolarHBondContact O-OH 3.48Å; P88-Y130 HydrophobicContact CB-CD1 4.04Å; P88-Y130 HydrophobicContact CB-CD2 3.69Å; P88-Y130 HydrophobicContact CB-CE1 4.26Å; P88-Y130 HydrophobicContact CB-CE2 3.95Å; P88-Y130 HydrophobicContact CB-CG 3.73Å; P88-Y130 HydrophobicContact CG-CD1 4.36Å; P88-Y130 HydrophobicContact CG-CD2 3.93Å; P88-Y130 HydrophobicContact CG-CE1 4.08Å; P88-Y130 HydrophobicContact CG-CE2 3.63Å; P88-Y130 HydrophobicContact CG-CG 4.28Å; W89-Y130 HydrophobicContact CB-CD1 3.95Å; Y117-Y130 WeakPolarHBondContact CD1-OH 3.1Å; V118-Y130 HydrophobicContact CG2-CD2 3.91Å; V118-Y130 HydrophobicContact CG2-CE2 3.49Å; V118-Y130 VanDerWaalsContact CG2-CE2 3.49Å; M128-Y130 VanDerWaalsContact C-N 3.3Å; M128-Y130 PolarHBondContact O-N 3.43Å
131T92.4Very high85.4Confident63 Ų6365.3 Ų65.339%0.38736%0.361SS..  trans-101.5170179.964.40000112T133 D134 L135T131-T133 PolarHBondContact O-N 2.81Å; T131-T133 PolarHBondContact OG1-N 3.37Å; T131-D134 PolarHBondContact N-OD2 3.29Å; T131-D134 PolarHBondContact O-N 3.08Å; T131-D134 VanDerWaalsContact OG1-CG 3.3Å; T131-D134 PolarHBondContact OG1-N 3.32Å; T131-D134 PolarHBondContact OG1-OD2 2.97Å; T131-L135 PolarHBondContact O-N 3.24Å
132E91Very high86.7Confident59 Ų5964.4 Ų64.428%0.27635%0.354SS..Hα-helixtrans-63.1-29.8172.2-176.7158.7-154.300112.1R111 S115 L135 E136R111-E132 IonicContact CZ-OE1 2.72Å; R111-E132 IonicContact NH1-OE1 2.81Å; R111-E132 PolarHBondContact NH1-OE1 3Å; R111-E132 VanDerWaalsContact NH1-OE1 3.08Å; R111-E132 IonicContact NH2-OE1 2.73Å; R111-E132 PolarHBondContact NH2-OE1 3.12Å; S115-E132 PolarHBondContact OG-OE1 3.36Å; E132-L135 WeakPolarHBondContact O-CB 3.17Å; E132-L135 PolarHBondContact O-N 3.13Å; E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.25Å
133T93.9Very high88.4Confident85 Ų8561.9 Ų61.952%0.52134%0.339SS..Hα-helixtrans-65.1-45.9173.8-49.40000111.5T131 L135 E136 D137T131-T133 PolarHBondContact O-N 2.81Å; T131-T133 PolarHBondContact OG1-N 3.37Å; T133-L135 PolarHBondContact O-N 3.28Å; T133-E136 PolarHBondContact O-N 2.93Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-D137 PolarHBondContact O-N 3.45Å
134D96.4Very high89.9Confident29 Ų2961.1 Ų61.116%0.15534%0.337CS..Hα-helixtrans-58.7-37.9176.1-63.3-52.9000111.3Q92 K93 T131 S138Q92-D134 HydrophobicContact CG-CB 4.39Å; Q92-D134 WeakPolarHBondContact CG-O 3.35Å; K93-D134 WeakPolarHBondContact CE-OD2 3.23Å; K93-D134 IonicContact NZ-OD2 3.22Å; T131-D134 PolarHBondContact N-OD2 3.29Å; T131-D134 PolarHBondContact O-N 3.08Å; T131-D134 VanDerWaalsContact OG1-CG 3.3Å; T131-D134 PolarHBondContact OG1-N 3.32Å; T131-D134 PolarHBondContact OG1-OD2 2.97Å; D134-S138 WeakPolarHBondContact O-CB 3.32Å; D134-S138 PolarHBondContact O-N 3.18Å
135L96.4Very high91.6Very high0 Ų058.4 Ų58.40%032%0.318CS..Hα-helixtrans-63.7-46.7174.7171.964.8000111.7P88 Y110 L114 T131 E132 T133 S138 M139P88-L135 HydrophobicContact CG-CD1 3.9Å; Y110-L135 HydrophobicContact CD1-CD1 4.25Å; Y110-L135 HydrophobicContact CE1-CD1 3.52Å; Y110-L135 HydrophobicContact CE2-CD1 4.46Å; L114-L135 HydrophobicContact CB-CD1 3.76Å; L114-L135 HydrophobicContact CB-CD2 3.67Å; L114-L135 HydrophobicContact CB-CG 4.36Å; L114-L135 HydrophobicContact CD1-CD1 3.85Å; L114-L135 HydrophobicContact CG-CD1 4.32Å; T131-L135 PolarHBondContact O-N 3.24Å; E132-L135 WeakPolarHBondContact O-CB 3.17Å; E132-L135 PolarHBondContact O-N 3.13Å; T133-L135 PolarHBondContact O-N 3.28Å; L135-S138 WeakPolarHBondContact O-CB 3.43Å; L135-S138 PolarHBondContact O-N 3.23Å; L135-S138 PolarHBondContact O-OG 3.04Å; L135-M139 PolarHBondContact O-N 3.26Å
136E95.3Very high93.2Very high95 Ų9558.2 Ų58.244%0.44431%0.305SS..Hα-helixtrans-59.8-48.7176.7-73.5-175.9165.400111.5R111 E132 T133 S138 M139R111-E136 IonicContact CZ-OE1 3.72Å; R111-E136 IonicContact NE-OE1 3.65Å; R111-E136 IonicContact NH2-OE1 3.51Å; R111-E136 PolarHBondContact NH2-OE1 3.15Å; E132-E136 WeakPolarHBondContact O-CG 3.47Å; E132-E136 PolarHBondContact O-N 3.25Å; T133-E136 PolarHBondContact O-N 2.93Å; T133-E136 VanDerWaalsContact O-N 3.1Å; E136-S138 PolarHBondContact O-N 3.16Å; E136-M139 VanDerWaalsContact O-CB 3.28Å; E136-M139 WeakPolarHBondContact O-CB 3.33Å; E136-M139 PolarHBondContact O-N 3.34Å
137D96.8Very high94.7Very high84 Ų8452.7 Ų52.745%0.44927%0.273SS..Hα-helixtrans-63.9-28.1179-68.3-17.7000112.1Q92 T133 M139Q92-D137 PolarHBondContact NE2-O 3.17Å; T133-D137 PolarHBondContact O-N 3.45Å; D137-M139 VanDerWaalsContact C-N 3.26Å; D137-M139 PolarHBondContact O-N 3.33Å
138S97.8Very high95.7Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-66.8-26.817682.20000113Y110 D134 L135 E136 D140 K141 I142Y110-S138 PolarHBondContact OH-OG 3.15Å; D134-S138 WeakPolarHBondContact O-CB 3.32Å; D134-S138 PolarHBondContact O-N 3.18Å; L135-S138 WeakPolarHBondContact O-CB 3.43Å; L135-S138 PolarHBondContact O-N 3.23Å; L135-S138 PolarHBondContact O-OG 3.04Å; E136-S138 PolarHBondContact O-N 3.16Å; S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 2.98Å; S138-K141 PolarHBondContact O-N 3.39Å; S138-K141 VanDerWaalsContact O-N 3.13Å; S138-I142 WeakPolarHBondContact O-CG1 3.28Å
139M97.9Very high96.2Very high34 Ų3453.3 Ų53.317%0.16727%0.272CS..G310 helixtrans-63.3-33.6-175-68.2-67-71.500112.9K107 Y110 R111 L135 E136 D137 K141 I142K107-M139 HydrophobicContact CD-CE 4.44Å; K107-M139 WeakPolarHBondContact CE-O 3.45Å; K107-M139 HydrophobicContact CG-CE 3.81Å; K107-M139 HydrophobicContact CG-SD 4.48Å; K107-M139 PolarHBondContact NZ-O 3.46Å; Y110-M139 HydrophobicContact CD1-SD 3.54Å; Y110-M139 VanDerWaalsContact CD1-SD 3.54Å; Y110-M139 HydrophobicContact CE1-SD 3.62Å; R111-M139 HydrophobicContact CB-CE 3.77Å; R111-M139 HydrophobicContact CB-SD 3.89Å; R111-M139 HydrophobicContact CG-CE 4.42Å; L135-M139 PolarHBondContact O-N 3.26Å; E136-M139 VanDerWaalsContact O-CB 3.28Å; E136-M139 WeakPolarHBondContact O-CB 3.33Å; E136-M139 PolarHBondContact O-N 3.34Å; D137-M139 VanDerWaalsContact C-N 3.26Å; D137-M139 PolarHBondContact O-N 3.33Å; M139-K141 VanDerWaalsContact C-N 3.29Å; M139-K141 PolarHBondContact O-N 3.26Å; M139-I142 PolarHBondContact O-N 2.92Å
140D96.6Very high96.6Very high152 Ų15256.8 Ų56.881%0.81329%0.294SS*.G310 helixtrans-73.9-22.5-179.4-71.5-16.4000112.6S138S138-D140 VanDerWaalsContact C-N 3.28Å; S138-D140 PolarHBondContact O-N 2.98Å
141K98Very high96.8Very high96 Ų9658.8 Ų58.842%0.41730%0.303SS..G310 helixtrans-84-10.2176.6-66.3177.8175.3170.30113.6L91 S138 M139L91-K141 HydrophobicContact CB-CD 4.23Å; L91-K141 HydrophobicContact CD1-CB 4.31Å; L91-K141 PolarHBondContact O-NZ 3.03Å; S138-K141 PolarHBondContact O-N 3.39Å; S138-K141 VanDerWaalsContact O-N 3.13Å; M139-K141 VanDerWaalsContact C-N 3.29Å; M139-K141 PolarHBondContact O-N 3.26Å
142I98.7Very high97Very high4 Ų460 Ų602%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-98115.9-177-60.9165.2000109.7L87 L91 T100 M102 K107 Y110 S138 M139L87-I142 HydrophobicContact CD2-CD1 3.87Å; L87-I142 HydrophobicContact CD2-CG1 4.41Å; L91-I142 HydrophobicContact CD1-CD1 4.2Å; L91-I142 HydrophobicContact CD1-CG1 3.82Å; T100-I142 HydrophobicContact CG2-CG1 4.14Å; T100-I142 HydrophobicContact CG2-CG2 4.48Å; M102-I142 HydrophobicContact CB-CG2 4.03Å; M102-I142 HydrophobicContact CE-CD1 4.34Å; M102-I142 HydrophobicContact CG-CG2 3.92Å; M102-I142 HydrophobicContact SD-CD1 4.3Å; M102-I142 HydrophobicContact SD-CG2 3.72Å; K107-I142 HydrophobicContact CD-CB 4.28Å; K107-I142 HydrophobicContact CD-CG2 3.93Å; K107-I142 WeakPolarHBondContact CE-O 3.39Å; K107-I142 HydrophobicContact CG-CG2 4.13Å; K107-I142 PolarHBondContact NZ-O 3.42Å; Y110-I142 HydrophobicContact CD1-CD1 4.19Å; Y110-I142 HydrophobicContact CE1-CD1 3.61Å; S138-I142 WeakPolarHBondContact O-CG1 3.28Å; M139-I142 PolarHBondContact O-N 2.92Å
143E98.7Very high97.2Very high63 Ų6357.7 Ų57.729%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-85.2157172-66-177.1-119.800111.6R99 T100 F101 M102R99-E143 IonicContact CZ-OE1 3.27Å; R99-E143 VanDerWaalsContact CZ-OE1 3.27Å; R99-E143 IonicContact CZ-OE2 3.81Å; R99-E143 IonicContact NE-OE1 3.55Å; R99-E143 PolarHBondContact NE-OE1 2.82Å; R99-E143 IonicContact NE-OE2 3.14Å; R99-E143 VanDerWaalsContact NH2-CD 3.27Å; R99-E143 IonicContact NH2-OE1 3.35Å; R99-E143 PolarHBondContact NH2-OE1 3.43Å; R99-E143 IonicContact NH2-OE2 2.7Å; R99-E143 PolarHBondContact NH2-OE2 2.83Å; T100-E143 WeakPolarHBondContact O-CB 3.46Å; T100-E143 PolarHBondContact O-N 3.34Å; F101-E143 WeakPolarHBondContact CA-O 3.45Å; F101-E143 HydrophobicContact CD1-CB 3.7Å; F101-E143 HydrophobicContact CE1-CB 3.51Å; F101-E143 HydrophobicContact CE1-CG 4.35Å; F101-E143 HydrophobicContact CG-CB 4.35Å; F101-E143 HydrophobicContact CZ-CB 4.03Å; F101-E143 HydrophobicContact CZ-CG 4.46Å; M102-E143 PolarHBondContact N-O 2.97Å
144T98.4Very high97.1Very high43 Ų4355.4 Ų55.426%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-107.5147.1177.148.80000111.4M102 H104 K107 K151M102-T144 CarbonylContact O-C 3.54Å; M102-T144 VanDerWaalsContact O-CA 3.24Å; M102-T144 WeakPolarHBondContact O-CA 3.42Å; H104-T144 VanDerWaalsContact CE1-CB 3.46Å; H104-T144 WeakPolarHBondContact CE1-CB 3.36Å; H104-T144 PolarHBondContact CE1-OG1 3.11Å; K107-T144 HydrophobicContact CB-CG2 4.1Å; K107-T144 HydrophobicContact CD-CG2 3.61Å; K107-T144 HydrophobicContact CG-CG2 4.47Å; T144-K151 PolarHBondContact O-NZ 2.95Å
145I98.4Very high96.8Very high0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-129.6140.6173.6-171.1167.9000109.7F101 M102 E149 K151 F158 F172F101-I145 HydrophobicContact CD1-CB 4.33Å; M102-I145 PolarHBondContact O-N 2.81Å; I145-E149 HydrophobicContact CG1-CB 4.32Å; I145-K151 HydrophobicContact CB-CD 4.39Å; I145-K151 HydrophobicContact CD1-CB 4.09Å; I145-K151 HydrophobicContact CD1-CD 4.02Å; I145-K151 HydrophobicContact CD1-CG 3.86Å; I145-K151 HydrophobicContact CG1-CD 4.1Å; I145-K151 HydrophobicContact CG1-CG 4.23Å; I145-F158 HydrophobicContact CD1-CD2 3.81Å; I145-F158 HydrophobicContact CD1-CE2 3.58Å; I145-F172 HydrophobicContact CG2-CE1 4.18Å; I145-F172 HydrophobicContact CG2-CZ 4.46Å
146N97.7Very high96.8Very high84 Ų8454.4 Ų54.445%0.44928%0.28SS..  trans-82.9153.8171.7-65.3-74000110.9H104 H148 E149H104-N146 PolarHBondContact CD2-OD1 2.89Å; H104-N146 PolarHBondContact NE2-OD1 2.81Å; H104-N146 VanDerWaalsContact NE2-OD1 3.11Å; N146-H148 PolarHBondContact O-N 3.08Å; N146-E149 HydrophobicContact CB-CB 4.13Å; N146-E149 WeakPolarHBondContact CB-OE2 3.42Å; N146-E149 PolarHBondContact N-OE2 3.14Å; N146-E149 PolarHBondContact ND2-OE2 2.99Å; N146-E149 WeakPolarHBondContact O-CB 3.33Å; N146-E149 PolarHBondContact O-N 3.27Å
147F97.5Very high96.9Very high42 Ų4253.4 Ų53.418%0.18427%0.274CS..THydrogen-bonded Turntrans-56.9139.4169.5-66-77.9000110.3T103 E149 H162 A170T103-F147 HydrophobicContact CG2-CE1 4.01Å; T103-F147 HydrophobicContact CG2-CE2 4.28Å; T103-F147 HydrophobicContact CG2-CZ 3.78Å; F147-E149 PolarHBondContact O-N 3.31Å; F147-E149 VanDerWaalsContact O-N 3.07Å; F147-H162 AromaticContact CD1-CE1 3.83Å; F147-H162 AromaticContact CD1-CG 3.94Å; F147-H162 AromaticContact CD1-ND1 3.63Å; F147-H162 AromaticContact CD2-CE1 3.19Å; F147-H162 WeakPolarHBondContact CD2-CE1 3.31Å; F147-H162 AromaticContact CD2-ND1 3.72Å; F147-H162 AromaticContact CD2-NE2 3.83Å; F147-H162 HydrophobicContact CE1-CB 4.48Å; F147-H162 AromaticContact CE1-CE1 3.94Å; F147-H162 AromaticContact CE1-CG 3.99Å; F147-H162 AromaticContact CE1-ND1 3.42Å; F147-H162 WeakPolarHBondContact CE1-ND1 3.38Å; F147-H162 AromaticContact CE2-CE1 3.32Å; F147-H162 WeakPolarHBondContact CE2-CE1 3.41Å; F147-H162 AromaticContact CE2-ND1 3.51Å; F147-H162 AromaticContact CG-CE1 3.46Å; F147-H162 VanDerWaalsContact CG-CE1 3.46Å; F147-H162 WeakPolarHBondContact CG-CE1 3.33Å; F147-H162 AromaticContact CG-ND1 3.77Å; F147-H162 AromaticContact CG-NE2 3.76Å; F147-H162 AromaticContact CZ-CE1 3.69Å; F147-H162 AromaticContact CZ-ND1 3.35Å; F147-H162 WeakPolarHBondContact CZ-ND1 3.4Å; F147-A170 HydrophobicContact CE1-CB 4.03Å
148H97.4Very high97Very high97 Ų9749.4 Ų49.445%0.44925%0.253SS..THydrogen-bonded Turntrans62.95.1-179.8-42.1124.3000116.3N146 C160 Y161 E199N146-H148 PolarHBondContact O-N 3.08Å; H148-C160 PolarHBondContact N-O 2.79Å; H148-Y161 AromaticContact CD2-CD1 3.62Å; H148-Y161 AromaticContact NE2-CD1 3.81Å; H148-E199 IonicContact CD2-OE2 3.96Å; H148-E199 IonicContact CE1-OE1 3.89Å; H148-E199 PolarHBondContact CE1-OE1 3.41Å; H148-E199 IonicContact CE1-OE2 3.47Å; H148-E199 IonicContact NE2-OE1 2.7Å; H148-E199 PolarHBondContact NE2-OE1 3.31Å; H148-E199 IonicContact NE2-OE2 3.31Å; H148-E199 PolarHBondContact NE2-OE2 2.81Å
149E97.5Very high97.1Very high69 Ų6950.6 Ų50.632%0.32226%0.258SS..  trans-80.6131.3171.8-174.6-170.5159.600110.2I145 N146 F147 K151 W159I145-E149 HydrophobicContact CG1-CB 4.32Å; N146-E149 HydrophobicContact CB-CB 4.13Å; N146-E149 WeakPolarHBondContact CB-OE2 3.42Å; N146-E149 PolarHBondContact N-OE2 3.14Å; N146-E149 PolarHBondContact ND2-OE2 2.99Å; N146-E149 WeakPolarHBondContact O-CB 3.33Å; N146-E149 PolarHBondContact O-N 3.27Å; F147-E149 PolarHBondContact O-N 3.31Å; F147-E149 VanDerWaalsContact O-N 3.07Å; E149-K151 WeakPolarHBondContact OE1-CE 3.49Å; E149-W159 WeakPolarHBondContact O-CA 3.42Å; E149-W159 WeakPolarHBondContact O-CB 3.23Å
150V98.3Very high97.1Very high89 Ų8949 Ų4954%0.53925%0.25SC..  trans-90.9120.7174.2-178.20000109.6K157 W159V150-K157 HydrophobicContact CG1-CB 4.4Å; V150-W159 HydrophobicContact CG1-CE3 4.3Å; V150-W159 HydrophobicContact CG2-CB 4.21Å; V150-W159 HydrophobicContact CG2-CD2 4.34Å; V150-W159 HydrophobicContact CG2-CE3 4.09Å; V150-W159 HydrophobicContact CG2-CG 4.44Å
151K98Very high97.2Very high46 Ų4642.7 Ų42.720%0.222%0.215CC..EExtended strand (participates in β ladder)trans-110.4154.8169.6-72.5-164173.5-173.70111.1F101 T144 I145 E149 K157 F158F101-K151 HydrophobicContact CD1-CD 4.11Å; F101-K151 HydrophobicContact CE1-CD 3.52Å; F101-K151 HydrophobicContact CZ-CD 4.3Å; T144-K151 PolarHBondContact O-NZ 2.95Å; I145-K151 HydrophobicContact CB-CD 4.39Å; I145-K151 HydrophobicContact CD1-CB 4.09Å; I145-K151 HydrophobicContact CD1-CD 4.02Å; I145-K151 HydrophobicContact CD1-CG 3.86Å; I145-K151 HydrophobicContact CG1-CD 4.1Å; I145-K151 HydrophobicContact CG1-CG 4.23Å; E149-K151 WeakPolarHBondContact OE1-CE 3.49Å; K151-K157 CarbonylContact O-C 3.52Å; K151-K157 WeakPolarHBondContact O-CA 3.43Å; K151-F158 HydrophobicContact CB-CE1 3.98Å; K151-F158 HydrophobicContact CB-CE2 3.97Å; K151-F158 HydrophobicContact CB-CZ 3.63Å; K151-F158 PolarHBondContact N-O 3.39Å; K151-F158 PolarHBondContact O-N 2.87Å
152E96.9Very high97.2Very high88 Ų8839.4 Ų39.441%0.41120%0.2SC..EExtended strand (participates in β ladder)trans-128.3129.3176.3-169.2176.9146.800110.8I156 K157 N496E152-I156 VanDerWaalsContact CA-O 3.27Å; E152-I156 WeakPolarHBondContact CA-O 3.27Å; E152-K157 HydrophobicContact CB-CG 4.35Å; E152-K157 HydrophobicContact CG-CG 4.11Å; E152-K157 WeakPolarHBondContact OE2-CE 3.32Å; E152-N496 PolarHBondContact OE1-ND2 2.9Å
153V95.3Very high97.1Very high12 Ų1239.2 Ų39.27%0.07320%0.2CC..EExtended strand (participates in β ladder)trans-136.1124.8176.8177.60000108.5L73 F101 G155 I156 F158L73-V153 HydrophobicContact CD1-CB 4.05Å; L73-V153 HydrophobicContact CD1-CG1 4.18Å; L73-V153 HydrophobicContact CD1-CG2 4.02Å; F101-V153 HydrophobicContact CE2-CG2 3.89Å; F101-V153 HydrophobicContact CZ-CG2 4.05Å; V153-G155 PolarHBondContact O-N 3.49Å; V153-I156 PolarHBondContact N-O 2.77Å; V153-I156 WeakPolarHBondContact O-CA 3.05Å; V153-I156 VanDerWaalsContact O-CB 3.23Å; V153-I156 WeakPolarHBondContact O-CB 3.47Å; V153-I156 PolarHBondContact O-N 2.9Å; V153-F158 HydrophobicContact CB-CE1 4.24Å; V153-F158 HydrophobicContact CG2-CE1 3.77Å; V153-F158 HydrophobicContact CG2-CZ 4.2Å
154A91.4Very high97Very high37 Ų3736.4 Ų36.431%0.30619%0.188SC..THydrogen-bonded Turntrans51.828.3179.700000114.8R42 D72 I156R42-A154 PolarHBondContact NE-O 3.44Å; D72-A154 HydrophobicContact CB-CB 4.42Å; A154-I156 VanDerWaalsContact C-N 3.34Å
155G89.8Confident96.8Very high8 Ų834.4 Ų34.48%0.08218%0.175CC..THydrogen-bonded Turntrans82.94.2-176.300000115.3V153 N496 F497V153-G155 PolarHBondContact O-N 3.49Å; G155-N496 WeakPolarHBondContact CA-ND2 3.37Å; G155-F497 WeakPolarHBondContact O-CD2 3.4Å
156I96.4Very high96.7Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-90.5119.1171.7-55.5152.8000107.4R42 I44 D72 L73 E152 V153 A154 I174 I176R42-I156 HydrophobicContact CB-CD1 4.12Å; R42-I156 HydrophobicContact CB-CG1 4.27Å; R42-I156 HydrophobicContact CG-CD1 4.36Å; R42-I156 HydrophobicContact CG-CG1 4.23Å; I44-I156 HydrophobicContact CD1-CB 4.4Å; I44-I156 HydrophobicContact CD1-CD1 3.75Å; I44-I156 HydrophobicContact CD1-CG1 4.04Å; I44-I156 HydrophobicContact CD1-CG2 3.52Å; I44-I156 HydrophobicContact CG1-CD1 3.76Å; D72-I156 HydrophobicContact CB-CD1 4.28Å; L73-I156 HydrophobicContact CB-CD1 4.27Å; L73-I156 HydrophobicContact CD2-CD1 4.39Å; L73-I156 HydrophobicContact CD2-CG2 3.98Å; E152-I156 VanDerWaalsContact CA-O 3.27Å; E152-I156 WeakPolarHBondContact CA-O 3.27Å; V153-I156 PolarHBondContact N-O 2.77Å; V153-I156 WeakPolarHBondContact O-CA 3.05Å; V153-I156 VanDerWaalsContact O-CB 3.23Å; V153-I156 WeakPolarHBondContact O-CB 3.47Å; V153-I156 PolarHBondContact O-N 2.9Å; A154-I156 VanDerWaalsContact C-N 3.34Å; I156-I174 HydrophobicContact CG2-CG2 3.72Å; I156-I176 HydrophobicContact CB-CG1 4.44Å; I156-I176 HydrophobicContact CG1-CD1 4.26Å; I156-I176 HydrophobicContact CG1-CG1 4.17Å; I156-I176 HydrophobicContact CG2-CD1 4.46Å; I156-I176 HydrophobicContact CG2-CG1 4.04Å
157K98.1Very high96.5Very high74 Ų7430.5 Ų30.532%0.32216%0.155SC..EExtended strand (participates in β ladder)trans-91.5139.4169.7-67.4179.8-176.4177.30109.4V150 K151 E152 I174 E175V150-K157 HydrophobicContact CG1-CB 4.4Å; K151-K157 CarbonylContact O-C 3.52Å; K151-K157 WeakPolarHBondContact O-CA 3.43Å; E152-K157 HydrophobicContact CB-CG 4.35Å; E152-K157 HydrophobicContact CG-CG 4.11Å; E152-K157 WeakPolarHBondContact OE2-CE 3.32Å; K157-I174 CarbonylContact O-C 3.59Å; K157-I174 WeakPolarHBondContact O-CA 3.26Å; K157-E175 HydrophobicContact CB-CB 4.26Å; K157-E175 PolarHBondContact N-O 2.94Å; K157-E175 PolarHBondContact O-N 2.92Å
158F98.7Very high96.4Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-149.2152174.462.1-82.4000111.4L73 L75 F101 I145 K151 V153 F172 M173 I174L73-F158 HydrophobicContact CD1-CE1 3.89Å; L73-F158 HydrophobicContact CD1-CZ 4.05Å; L73-F158 HydrophobicContact CD2-CD1 3.66Å; L73-F158 HydrophobicContact CD2-CE1 3.74Å; L73-F158 HydrophobicContact CD2-CG 4.31Å; L73-F158 HydrophobicContact CD2-CZ 4.42Å; L73-F158 HydrophobicContact CG-CE1 4.49Å; L75-F158 HydrophobicContact CD1-CB 4.46Å; L75-F158 HydrophobicContact CD1-CD2 4.47Å; L75-F158 HydrophobicContact CD1-CG 4.48Å; L75-F158 HydrophobicContact CD2-CD2 3.83Å; L75-F158 HydrophobicContact CD2-CE2 3.77Å; L75-F158 HydrophobicContact CD2-CG 4.38Å; L75-F158 HydrophobicContact CD2-CZ 4.3Å; F101-F158 HydrophobicContact CB-CE2 4.27Å; F101-F158 HydrophobicContact CD1-CE2 4.13Å; F101-F158 HydrophobicContact CD1-CZ 4.09Å; F101-F158 HydrophobicContact CD2-CE2 4.06Å; F101-F158 AromaticContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CD2-CZ 3.64Å; F101-F158 HydrophobicContact CE1-CZ 4.1Å; F101-F158 HydrophobicContact CE2-CE1 4.46Å; F101-F158 HydrophobicContact CE2-CE2 4.48Å; F101-F158 AromaticContact CE2-CZ 3.65Å; F101-F158 HydrophobicContact CE2-CZ 3.65Å; F101-F158 AromaticContact CG-CE2 3.87Å; F101-F158 HydrophobicContact CG-CE2 3.87Å; F101-F158 AromaticContact CG-CZ 3.86Å; F101-F158 HydrophobicContact CG-CZ 3.86Å; F101-F158 AromaticContact CZ-CZ 3.88Å; F101-F158 HydrophobicContact CZ-CZ 3.88Å; I145-F158 HydrophobicContact CD1-CD2 3.81Å; I145-F158 HydrophobicContact CD1-CE2 3.58Å; K151-F158 HydrophobicContact CB-CE1 3.98Å; K151-F158 HydrophobicContact CB-CE2 3.97Å; K151-F158 HydrophobicContact CB-CZ 3.63Å; K151-F158 PolarHBondContact N-O 3.39Å; K151-F158 PolarHBondContact O-N 2.87Å; V153-F158 HydrophobicContact CB-CE1 4.24Å; V153-F158 HydrophobicContact CG2-CE1 3.77Å; V153-F158 HydrophobicContact CG2-CZ 4.2Å; F158-F172 HydrophobicContact CD2-CD1 4.34Å; F158-F172 HydrophobicContact CD2-CE1 4.4Å; F158-M173 WeakPolarHBondContact CA-O 3.4Å; F158-M173 WeakPolarHBondContact CB-O 3.46Å; F158-I174 HydrophobicContact CB-CG1 4.35Å
159W98.7Very high96.5Very high25 Ų2524.2 Ų24.210%0.09513%0.128CC..EExtended strand (participates in β ladder)trans-148.9166173.358.295.9000108.4E149 V150 Y161 M173 E175E149-W159 WeakPolarHBondContact O-CA 3.42Å; E149-W159 WeakPolarHBondContact O-CB 3.23Å; V150-W159 HydrophobicContact CG1-CE3 4.3Å; V150-W159 HydrophobicContact CG2-CB 4.21Å; V150-W159 HydrophobicContact CG2-CD2 4.34Å; V150-W159 HydrophobicContact CG2-CE3 4.09Å; V150-W159 HydrophobicContact CG2-CG 4.44Å; W159-Y161 AromaticContact CD1-CE2 3.62Å; W159-Y161 AromaticContact CD1-CZ 3.64Å; W159-Y161 AromaticContact NE1-CE2 3.32Å; W159-Y161 VanDerWaalsContact NE1-CE2 3.32Å; W159-Y161 AromaticContact NE1-CZ 3.24Å; W159-Y161 PolarHBondContact NE1-OH 3.41Å; W159-M173 HydrophobicContact CD2-CB 4.02Å; W159-M173 HydrophobicContact CD2-CG 4.18Å; W159-M173 HydrophobicContact CG-CB 4.29Å; W159-M173 HydrophobicContact CH2-CG 3.79Å; W159-M173 HydrophobicContact CZ2-CB 3.94Å; W159-M173 HydrophobicContact CZ2-CG 3.2Å; W159-M173 HydrophobicContact CZ3-CG 4.47Å; W159-M173 PolarHBondContact N-O 2.79Å; W159-M173 PolarHBondContact O-N 2.89Å; W159-E175 HydrophobicContact CH2-CB 4.31Å; W159-E175 HydrophobicContact CZ3-CB 4.16Å
160C98.6Very high96.5Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-129.5149.5-18066.40000113.9H148 A170 M171 F172H148-C160 PolarHBondContact N-O 2.79Å; C160-A170 HydrophobicContact CB-CB 3.92Å; C160-M171 CarbonylContact C-O 3.59Å; C160-M171 WeakPolarHBondContact CA-O 3.4Å; C160-F172 HydrophobicContact CB-CD1 3.81Å; C160-F172 HydrophobicContact CB-CE1 3.84Å; C160-F172 HydrophobicContact CB-CG 4.3Å; C160-F172 HydrophobicContact CB-CZ 4.34Å
161Y98.5Very high96.5Very high20 Ų2016.8 Ų16.88%0.0789%0.087CC..EExtended strand (participates in β ladder)trans-110.2158.8175.6-60.3-79.3000109.8H148 W159 A163 A170 M171 M173 L182 E199 P201H148-Y161 AromaticContact CD2-CD1 3.62Å; H148-Y161 AromaticContact NE2-CD1 3.81Å; W159-Y161 AromaticContact CD1-CE2 3.62Å; W159-Y161 AromaticContact CD1-CZ 3.64Å; W159-Y161 AromaticContact NE1-CE2 3.32Å; W159-Y161 VanDerWaalsContact NE1-CE2 3.32Å; W159-Y161 AromaticContact NE1-CZ 3.24Å; W159-Y161 PolarHBondContact NE1-OH 3.41Å; Y161-A163 PolarHBondContact O-N 3.26Å; Y161-A170 VanDerWaalsContact O-CA 3.31Å; Y161-A170 WeakPolarHBondContact O-CA 3.43Å; Y161-M171 PolarHBondContact N-O 2.77Å; Y161-M171 PolarHBondContact O-N 2.8Å; Y161-M173 HydrophobicContact CD2-CB 4.47Å; Y161-M173 HydrophobicContact CE2-CB 3.88Å; Y161-M173 HydrophobicContact CE2-CE 4.25Å; Y161-L182 HydrophobicContact CD2-CD1 4.43Å; Y161-E199 VanDerWaalsContact CD1-OE2 3.24Å; Y161-E199 WeakPolarHBondContact CD1-OE2 3.45Å; Y161-P201 HydrophobicContact CD2-CB 4.28Å; Y161-P201 HydrophobicContact CD2-CG 3.67Å; Y161-P201 HydrophobicContact CE1-CB 4.28Å; Y161-P201 HydrophobicContact CE1-CG 4.48Å; Y161-P201 HydrophobicContact CE2-CB 3.68Å; Y161-P201 HydrophobicContact CE2-CG 3.57Å; Y161-P201 HydrophobicContact CG-CG 4.17Å
162H97.8Very high96.6Very high26 Ų2614.6 Ų14.612%0.128%0.078CC..EExtended strand (participates in β ladder)trans-64.3131.1173.2-70.3-71000110.9F147 M171 M196 A198 E199F147-H162 AromaticContact CD1-CE1 3.83Å; F147-H162 AromaticContact CD1-CG 3.94Å; F147-H162 AromaticContact CD1-ND1 3.63Å; F147-H162 AromaticContact CD2-CE1 3.19Å; F147-H162 WeakPolarHBondContact CD2-CE1 3.31Å; F147-H162 AromaticContact CD2-ND1 3.72Å; F147-H162 AromaticContact CD2-NE2 3.83Å; F147-H162 HydrophobicContact CE1-CB 4.48Å; F147-H162 AromaticContact CE1-CE1 3.94Å; F147-H162 AromaticContact CE1-CG 3.99Å; F147-H162 AromaticContact CE1-ND1 3.42Å; F147-H162 WeakPolarHBondContact CE1-ND1 3.38Å; F147-H162 AromaticContact CE2-CE1 3.32Å; F147-H162 WeakPolarHBondContact CE2-CE1 3.41Å; F147-H162 AromaticContact CE2-ND1 3.51Å; F147-H162 AromaticContact CG-CE1 3.46Å; F147-H162 VanDerWaalsContact CG-CE1 3.46Å; F147-H162 WeakPolarHBondContact CG-CE1 3.33Å; F147-H162 AromaticContact CG-ND1 3.77Å; F147-H162 AromaticContact CG-NE2 3.76Å; F147-H162 AromaticContact CZ-CE1 3.69Å; F147-H162 AromaticContact CZ-ND1 3.35Å; F147-H162 WeakPolarHBondContact CZ-ND1 3.4Å; H162-M171 WeakPolarHBondContact O-CE 3.3Å; H162-M196 HydrophobicContact CB-CG 4.14Å; H162-M196 HydrophobicContact CB-SD 3.63Å; H162-M196 PolarHBondContact CD2-SD 2.92Å; H162-A198 CarbonylContact O-C 3.56Å; H162-A198 WeakPolarHBondContact O-CA 3.49Å; H162-E199 HydrophobicContact CB-CG 4.21Å; H162-E199 IonicContact CD2-OE1 3.7Å; H162-E199 PolarHBondContact CD2-OE1 2.84Å; H162-E199 VanDerWaalsContact CD2-OE1 3.31Å; H162-E199 PolarHBondContact O-N 2.96Å
163A97.8Very high96.7Very high0 Ų010.4 Ų10.40%06%0.058CC..  trans-96.9-7.1176.600000113.5Y161 H165 A169 M171 F187 S188 A198Y161-A163 PolarHBondContact O-N 3.26Å; A163-H165 PolarHBondContact O-N 3.02Å; A163-A169 HydrophobicContact CB-CB 3.86Å; A163-A169 PolarHBondContact N-O 2.94Å; A163-M171 HydrophobicContact CB-CG 3.74Å; A163-F187 HydrophobicContact CB-CB 4.02Å; A163-F187 CarbonylContact O-C 3.55Å; A163-F187 WeakPolarHBondContact O-CA 3.12Å; A163-F187 WeakPolarHBondContact O-CB 3.46Å; A163-S188 PolarHBondContact O-N 3.19Å; A163-A198 VanDerWaalsContact O-CB 3.3Å; A163-A198 WeakPolarHBondContact O-CB 3.45Å
164G95.2Very high96.8Very high5 Ų59.9 Ų9.95%0.0526%0.055CC..  trans64.3-128.7-166.100000109.4V166 A169 M196G164-V166 PolarHBondContact O-N 3.27Å; G164-A169 WeakPolarHBondContact O-CB 3.46Å; G164-M196 WeakPolarHBondContact CA-O 2.96Å
165H95.1Very high97.1Very high0 Ų010.9 Ų10.90%05%0.053CC..SBendtrans56.4-63.5171.3-176.268.2000116.5H78 H80 A163 D186 S188 R252 S401 A402 H403H78-H165 AromaticContact CD2-CD2 3.96Å; H78-H165 AromaticContact NE2-CD2 3.85Å; H78-H165 AromaticContact NE2-NE2 3.73Å; H80-H165 AromaticContact CE1-CD2 3.98Å; H80-H165 AromaticContact CE1-CE1 3.82Å; H80-H165 AromaticContact CE1-NE2 3.06Å; H80-H165 PolarHBondContact CE1-NE2 3.34Å; H80-H165 AromaticContact ND1-NE2 3.15Å; H80-H165 PolarHBondContact ND1-NE2 2.86Å; H80-H165 VanDerWaalsContact ND1-NE2 3.15Å; A163-H165 PolarHBondContact O-N 3.02Å; H165-D186 VanDerWaalsContact CD2-CB 3.5Å; H165-D186 WeakPolarHBondContact CD2-CB 3.45Å; H165-D186 IonicContact NE2-OD2 3.71Å; H165-S188 PolarHBondContact N-OG 3.44Å; H165-R252 PolarHBondContact O-NE 2.93Å; H165-R252 PolarHBondContact O-NH2 3Å; H165-S401 PolarHBondContact CE1-O 2.98Å; H165-S401 VanDerWaalsContact CE1-O 3.26Å; H165-S401 PolarHBondContact ND1-O 3.06Å; H165-A402 PolarHBondContact ND1-O 3.47Å; H165-H403 AromaticContact CE1-CE1 3.58Å; H165-H403 AromaticContact CE1-NE2 3.71Å
166V95.3Very high97.3Very high2 Ų210.7 Ų10.71%0.0125%0.051CC..SBendtrans-143162169.7-65.50000111.9H78 F79 H80 G164 G168 A169 L195H78-V166 HydrophobicContact CB-CG2 3.84Å; F79-V166 HydrophobicContact CD1-CG2 3.99Å; F79-V166 HydrophobicContact CE1-CB 3.66Å; F79-V166 HydrophobicContact CE1-CG2 3.55Å; F79-V166 HydrophobicContact CE2-CB 4.26Å; F79-V166 HydrophobicContact CE2-CG1 4.37Å; F79-V166 HydrophobicContact CE2-CG2 4.26Å; F79-V166 HydrophobicContact CZ-CB 3.5Å; F79-V166 HydrophobicContact CZ-CG1 3.98Å; F79-V166 HydrophobicContact CZ-CG2 3.73Å; H80-V166 VanDerWaalsContact CE1-CG1 3.44Å; H80-V166 WeakPolarHBondContact CE1-CG1 3.45Å; H80-V166 WeakPolarHBondContact NE2-CG1 3.36Å; G164-V166 PolarHBondContact O-N 3.27Å; V166-G168 PolarHBondContact O-N 3.41Å; V166-G168 VanDerWaalsContact O-N 3.08Å; V166-A169 HydrophobicContact CG2-CB 3.86Å; V166-A169 VanDerWaalsContact O-CB 3.31Å; V166-A169 WeakPolarHBondContact O-CB 3.35Å; V166-A169 PolarHBondContact O-N 2.9Å; V166-L195 VanDerWaalsContact CA-CD1 3.49Å
167L94.8Very high96.9Very high0 Ų012.5 Ų12.50%07%0.066CC..THydrogen-bonded Turntrans-58.5115.8-177.7-173.965.1000112F79 A105 I109 L195 Y289 A295 M296F79-L167 HydrophobicContact CE1-CB 4.49Å; F79-L167 VanDerWaalsContact CE1-O 3.23Å; F79-L167 WeakPolarHBondContact CE1-O 3.19Å; A105-L167 HydrophobicContact CB-CG 4.27Å; I109-L167 HydrophobicContact CD1-CB 4.18Å; I109-L167 HydrophobicContact CD1-CD2 4.22Å; I109-L167 HydrophobicContact CD1-CG 4.42Å; L167-L195 HydrophobicContact CB-CD2 4.2Å; L167-L195 HydrophobicContact CD1-CD2 3.96Å; L167-Y289 HydrophobicContact CB-CE1 3.91Å; L167-Y289 HydrophobicContact CD2-CD1 3.69Å; L167-Y289 HydrophobicContact CD2-CD2 4.08Å; L167-Y289 HydrophobicContact CD2-CE1 3.79Å; L167-Y289 HydrophobicContact CD2-CE2 4.18Å; L167-Y289 HydrophobicContact CD2-CG 3.82Å; L167-Y289 HydrophobicContact CG-CE1 4.45Å; L167-A295 HydrophobicContact CD1-CB 4Å; L167-M296 HydrophobicContact CD1-CE 4.06Å; L167-M296 HydrophobicContact CD1-CG 3.81Å; L167-M296 HydrophobicContact CD2-CE 3.87Å
168G95.7Very high96.4Very high5 Ų510.8 Ų10.85%0.0527%0.069CC..THydrogen-bonded Turntrans90.6-1-179.300000115.4T103 T106 V166T103-G168 VanDerWaalsContact CG2-O 3.31Å; T103-G168 WeakPolarHBondContact CG2-O 3.27Å; T103-G168 PolarHBondContact OG1-O 3.06Å; T106-G168 PolarHBondContact OG1-O 2.81Å; T106-G168 VanDerWaalsContact OG1-O 3.07Å; V166-G168 PolarHBondContact O-N 3.41Å; V166-G168 VanDerWaalsContact O-N 3.08Å
169A98Very high96.2Very high3 Ų311.5 Ų11.53%0.0257%0.073CC..  trans-61.4141.2176.500000111.8S77 H78 A163 G164 V166S77-A169 WeakPolarHBondContact O-CA 3.4Å; H78-A169 HydrophobicContact CB-CB 3.63Å; A163-A169 HydrophobicContact CB-CB 3.86Å; A163-A169 PolarHBondContact N-O 2.94Å; G164-A169 WeakPolarHBondContact O-CB 3.46Å; V166-A169 HydrophobicContact CG2-CB 3.86Å; V166-A169 VanDerWaalsContact O-CB 3.31Å; V166-A169 WeakPolarHBondContact O-CB 3.35Å; V166-A169 PolarHBondContact O-N 2.9Å
170A98.6Very high96.2Very high1 Ų112.4 Ų12.41%0.0088%0.078CC..EExtended strand (participates in β ladder)trans-137.9132.7-166.300000112.5S77 T103 F147 C160 Y161 F172S77-A170 PolarHBondContact O-N 2.64Å; T103-A170 HydrophobicContact CG2-CB 3.6Å; F147-A170 HydrophobicContact CE1-CB 4.03Å; C160-A170 HydrophobicContact CB-CB 3.92Å; Y161-A170 VanDerWaalsContact O-CA 3.31Å; Y161-A170 WeakPolarHBondContact O-CA 3.43Å; A170-F172 HydrophobicContact CB-CE2 4.09Å; A170-F172 HydrophobicContact CB-CZ 4.44Å
171M98.8Very high96.2Very high0 Ų012.6 Ų12.60%08%0.079CC..EExtended strand (participates in β ladder)trans-92119167.1-54.4-176.6-71.300108.3C160 Y161 H162 A163 L182 Y183 T184 F187 A198 E199 F412C160-M171 CarbonylContact C-O 3.59Å; C160-M171 WeakPolarHBondContact CA-O 3.4Å; Y161-M171 PolarHBondContact N-O 2.77Å; Y161-M171 PolarHBondContact O-N 2.8Å; H162-M171 WeakPolarHBondContact O-CE 3.3Å; A163-M171 HydrophobicContact CB-CG 3.74Å; M171-L182 HydrophobicContact CB-CD1 4.04Å; M171-Y183 CarbonylContact C-O 3.55Å; M171-Y183 VanDerWaalsContact CA-O 3.26Å; M171-Y183 WeakPolarHBondContact CA-O 3.23Å; M171-T184 WeakPolarHBondContact CG-O 3.43Å; M171-T184 HydrophobicContact SD-CG2 4.21Å; M171-F187 HydrophobicContact SD-CB 4.36Å; M171-F187 HydrophobicContact SD-CD2 4.24Å; M171-F187 HydrophobicContact SD-CG 4.48Å; M171-A198 HydrophobicContact CE-CB 4.1Å; M171-A198 HydrophobicContact SD-CB 4.32Å; M171-E199 HydrophobicContact CE-CB 4.5Å; M171-E199 WeakPolarHBondContact CE-O 3.41Å; M171-F412 HydrophobicContact CE-CZ 4.48Å; M171-F412 HydrophobicContact SD-CE2 4.41Å; M171-F412 HydrophobicContact SD-CZ 3.95Å
172F98.9Very high96.2Very high0 Ų011.7 Ų11.70%08%0.075CC..EExtended strand (participates in β ladder)trans-90.9121.5-178.1-77.8-82.6000111.2L75 I76 I145 F158 C160 A170 Y183L75-F172 HydrophobicContact CB-CD1 4.33Å; L75-F172 HydrophobicContact CB-CD2 4.09Å; L75-F172 HydrophobicContact CB-CE1 4.41Å; L75-F172 HydrophobicContact CB-CE2 4.17Å; L75-F172 HydrophobicContact CB-CG 4.16Å; L75-F172 HydrophobicContact CB-CZ 4.33Å; L75-F172 HydrophobicContact CD1-CB 4.05Å; L75-F172 HydrophobicContact CD1-CD1 3.86Å; L75-F172 HydrophobicContact CD1-CE1 4.49Å; L75-F172 HydrophobicContact CD1-CG 3.96Å; L75-F172 HydrophobicContact CD2-CD1 4.2Å; L75-F172 HydrophobicContact CD2-CE1 4.03Å; L75-F172 HydrophobicContact CG-CD1 4.36Å; I76-F172 WeakPolarHBondContact O-CE2 3.4Å; I145-F172 HydrophobicContact CG2-CE1 4.18Å; I145-F172 HydrophobicContact CG2-CZ 4.46Å; F158-F172 HydrophobicContact CD2-CD1 4.34Å; F158-F172 HydrophobicContact CD2-CE1 4.4Å; C160-F172 HydrophobicContact CB-CD1 3.81Å; C160-F172 HydrophobicContact CB-CE1 3.84Å; C160-F172 HydrophobicContact CB-CG 4.3Å; C160-F172 HydrophobicContact CB-CZ 4.34Å; A170-F172 HydrophobicContact CB-CE2 4.09Å; A170-F172 HydrophobicContact CB-CZ 4.44Å; F172-Y183 PolarHBondContact N-O 2.75Å; F172-Y183 PolarHBondContact O-N 2.9Å
173M98.8Very high96.2Very high0 Ų010.6 Ų10.60%07%0.07CC..EExtended strand (participates in β ladder)trans-94.4129.9166.6-175.268.277.900108.7F158 W159 Y161 K180 L181 L182 P201 V203 P205F158-M173 WeakPolarHBondContact CA-O 3.4Å; F158-M173 WeakPolarHBondContact CB-O 3.46Å; W159-M173 HydrophobicContact CD2-CB 4.02Å; W159-M173 HydrophobicContact CD2-CG 4.18Å; W159-M173 HydrophobicContact CG-CB 4.29Å; W159-M173 HydrophobicContact CH2-CG 3.79Å; W159-M173 HydrophobicContact CZ2-CB 3.94Å; W159-M173 HydrophobicContact CZ2-CG 3.2Å; W159-M173 HydrophobicContact CZ3-CG 4.47Å; W159-M173 PolarHBondContact N-O 2.79Å; W159-M173 PolarHBondContact O-N 2.89Å; Y161-M173 HydrophobicContact CD2-CB 4.47Å; Y161-M173 HydrophobicContact CE2-CB 3.88Å; Y161-M173 HydrophobicContact CE2-CE 4.25Å; M173-K180 HydrophobicContact SD-CB 4.27Å; M173-L181 CarbonylContact C-O 3.52Å; M173-L181 WeakPolarHBondContact CA-O 3.34Å; M173-L182 HydrophobicContact CB-CD1 4.22Å; M173-L182 HydrophobicContact CE-CB 3.97Å; M173-L182 HydrophobicContact CE-CD1 4.04Å; M173-L182 HydrophobicContact CE-CD2 4.34Å; M173-L182 HydrophobicContact CE-CG 4.35Å; M173-L182 HydrophobicContact SD-CB 4.05Å; M173-L182 HydrophobicContact SD-CD1 4.48Å; M173-P201 HydrophobicContact CE-CB 4.1Å; M173-P201 HydrophobicContact CE-CG 4.37Å; M173-V203 WeakPolarHBondContact CE-O 3.31Å; M173-P205 HydrophobicContact CE-CB 4.16Å; M173-P205 HydrophobicContact CE-CG 4.48Å; M173-P205 HydrophobicContact SD-CB 4.14Å
174I98.7Very high96.3Very high2 Ų210.6 Ų10.61%0.017%0.07CC..EExtended strand (participates in β ladder)trans-126.4130-172.8-56.1170.3000107.8L37 I44 L46 L75 I156 K157 F158 I176 K180 L181L37-I174 HydrophobicContact CD2-CD1 4.44Å; L37-I174 HydrophobicContact CD2-CG2 4.49Å; I44-I174 HydrophobicContact CD1-CG2 3.73Å; I44-I174 HydrophobicContact CG2-CD1 4.49Å; L46-I174 HydrophobicContact CD2-CD1 3.54Å; L75-I174 HydrophobicContact CD1-CD1 3.71Å; L75-I174 HydrophobicContact CD1-CG1 3.94Å; I156-I174 HydrophobicContact CG2-CG2 3.72Å; K157-I174 CarbonylContact O-C 3.59Å; K157-I174 WeakPolarHBondContact O-CA 3.26Å; F158-I174 HydrophobicContact CB-CG1 4.35Å; I174-I176 HydrophobicContact CG2-CD1 4.39Å; I174-I176 HydrophobicContact CG2-CG1 4.19Å; I174-K180 CarbonylContact O-C 3.37Å; I174-K180 VanDerWaalsContact O-CA 3.32Å; I174-K180 WeakPolarHBondContact O-CA 3.18Å; I174-L181 HydrophobicContact CD1-CD2 4.27Å; I174-L181 PolarHBondContact N-O 2.66Å; I174-L181 PolarHBondContact O-N 2.87Å
175E97.1Very high96.4Very high57 Ų5710.4 Ų10.427%0.2667%0.069SC..EExtended strand (participates in β ladder)trans-123.7120.8178.4-174.7-172.1170.800110.2K157 W159 V179 K180K157-E175 HydrophobicContact CB-CB 4.26Å; K157-E175 PolarHBondContact N-O 2.94Å; K157-E175 PolarHBondContact O-N 2.92Å; W159-E175 HydrophobicContact CH2-CB 4.31Å; W159-E175 HydrophobicContact CZ3-CB 4.16Å; E175-V179 WeakPolarHBondContact CA-O 3.24Å; E175-K180 HydrophobicContact CB-CG 4.23Å; E175-K180 HydrophobicContact CG-CG 4.01Å
176I93.3Very high96.6Very high5 Ų510.5 Ų10.53%0.0267%0.069CC..EExtended strand (participates in β ladder)trans-129.7117.8176-53.9173.7000107.9F39 I44 I156 I174 G178 V179 F497F39-I176 HydrophobicContact CB-CD1 4.37Å; F39-I176 HydrophobicContact CD1-CB 3.88Å; F39-I176 HydrophobicContact CD1-CG2 3.64Å; F39-I176 HydrophobicContact CE1-CG2 4.31Å; I44-I176 HydrophobicContact CD1-CD1 3.72Å; I156-I176 HydrophobicContact CB-CG1 4.44Å; I156-I176 HydrophobicContact CG1-CD1 4.26Å; I156-I176 HydrophobicContact CG1-CG1 4.17Å; I156-I176 HydrophobicContact CG2-CD1 4.46Å; I156-I176 HydrophobicContact CG2-CG1 4.04Å; I174-I176 HydrophobicContact CG2-CD1 4.39Å; I174-I176 HydrophobicContact CG2-CG1 4.19Å; I176-G178 PolarHBondContact O-N 3.09Å; I176-G178 VanDerWaalsContact O-N 3.1Å; I176-V179 PolarHBondContact N-O 3.02Å; I176-V179 PolarHBondContact O-N 3.08Å; I176-F497 HydrophobicContact CG2-CD2 4.25Å; I176-F497 HydrophobicContact CG2-CE2 3.62Å; I176-F497 HydrophobicContact CG2-CZ 3.82Å
177A88.2Confident96.7Very high38 Ų3810.4 Ų10.431%0.3147%0.068SC..THydrogen-bonded Turntrans49.137.9179.900000114.1F39 K40 V179 F497F39-A177 HydrophobicContact CE1-CB 4.41Å; K40-A177 HydrophobicContact CD-CB 3.66Å; A177-V179 VanDerWaalsContact C-N 3.32Å; A177-V179 PolarHBondContact O-N 3.5Å; A177-F497 HydrophobicContact CB-CB 3.99Å; A177-F497 HydrophobicContact CB-CD1 4.04Å; A177-F497 HydrophobicContact CB-CD2 4.46Å; A177-F497 HydrophobicContact CB-CG 3.89Å
178G88.9Confident96.8Very high38 Ų3810.8 Ų10.839%0.3927%0.071SC..THydrogen-bonded Turntrans87-14.7178.800000115.7I176 K180I176-G178 PolarHBondContact O-N 3.09Å; I176-G178 VanDerWaalsContact O-N 3.1Å; G178-K180 PolarHBondContact O-NZ 2.76Å
179V94.3Very high96.8Very high14 Ų1413.5 Ų13.59%0.0858%0.08CC..EExtended strand (participates in β ladder)trans-78.2126.6172.9-1770000108.8L19 F39 E175 I176 A177 D206 I207 F465L19-V179 HydrophobicContact CD1-CG1 3.99Å; F39-V179 HydrophobicContact CE1-CB 4.03Å; F39-V179 HydrophobicContact CE1-CG2 3.68Å; F39-V179 HydrophobicContact CZ-CG2 3.81Å; E175-V179 WeakPolarHBondContact CA-O 3.24Å; I176-V179 PolarHBondContact N-O 3.02Å; I176-V179 PolarHBondContact O-N 3.08Å; A177-V179 VanDerWaalsContact C-N 3.32Å; A177-V179 PolarHBondContact O-N 3.5Å; V179-D206 HydrophobicContact CG1-CB 4.34Å; V179-I207 HydrophobicContact CG1-CD1 4.37Å; V179-F465 HydrophobicContact CG1-CD1 4.01Å; V179-F465 HydrophobicContact CG1-CD2 4.09Å; V179-F465 HydrophobicContact CG1-CE1 4.09Å; V179-F465 HydrophobicContact CG1-CE2 4.17Å; V179-F465 HydrophobicContact CG1-CG 4Å; V179-F465 HydrophobicContact CG1-CZ 4.17Å; V179-F465 HydrophobicContact CG2-CB 3.61Å; V179-F465 HydrophobicContact CG2-CD1 3.92Å; V179-F465 HydrophobicContact CG2-CD2 4.43Å; V179-F465 HydrophobicContact CG2-CG 3.72Å
180K97.3Very high96.5Very high44 Ų4416.8 Ų16.819%0.19110%0.095CC..EExtended strand (participates in β ladder)trans-110.8126.7-176.6-68.9172.4-60.8-51.60110.9M173 I174 E175 G178 V203 K204 D206 I207M173-K180 HydrophobicContact SD-CB 4.27Å; I174-K180 CarbonylContact O-C 3.37Å; I174-K180 VanDerWaalsContact O-CA 3.32Å; I174-K180 WeakPolarHBondContact O-CA 3.18Å; E175-K180 HydrophobicContact CB-CG 4.23Å; E175-K180 HydrophobicContact CG-CG 4.01Å; G178-K180 PolarHBondContact O-NZ 2.76Å; K180-V203 HydrophobicContact CD-CG1 3.58Å; K180-K204 WeakPolarHBondContact CE-O 3.37Å; K180-D206 PolarHBondContact N-OD2 3.33Å; K180-D206 IonicContact NZ-OD2 3.56Å; K180-D206 PolarHBondContact NZ-OD2 2.81Å; K180-D206 WeakPolarHBondContact O-CA 3.45Å; K180-D206 WeakPolarHBondContact O-CB 3.28Å; K180-D206 PolarHBondContact O-N 2.93Å; K180-I207 PolarHBondContact O-N 3.01Å; K180-I207 VanDerWaalsContact O-N 3.14Å
181L98.6Very high96.2Very high5 Ų520.2 Ų20.23%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-120.1132.2175.8-176.9148000109.6I21 L37 L46 M173 I174 I207 I209I21-L181 HydrophobicContact CD1-CD1 3.63Å; I21-L181 HydrophobicContact CG1-CD1 4.38Å; L37-L181 HydrophobicContact CD1-CD1 4.08Å; L37-L181 HydrophobicContact CD2-CD1 4.07Å; L46-L181 HydrophobicContact CD1-CD2 4.39Å; M173-L181 CarbonylContact C-O 3.52Å; M173-L181 WeakPolarHBondContact CA-O 3.34Å; I174-L181 HydrophobicContact CD1-CD2 4.27Å; I174-L181 PolarHBondContact N-O 2.66Å; I174-L181 PolarHBondContact O-N 2.87Å; L181-I207 CarbonylContact C-O 3.59Å; L181-I207 WeakPolarHBondContact CA-O 3.41Å; L181-I207 HydrophobicContact CB-CB 4.29Å; L181-I207 HydrophobicContact CD1-CB 3.96Å; L181-I207 HydrophobicContact CD1-CD1 4.01Å; L181-I207 HydrophobicContact CD1-CG2 3.8Å; L181-I207 HydrophobicContact CG-CB 4.03Å; L181-I207 HydrophobicContact CG-CG2 4.16Å; L181-I209 HydrophobicContact CD1-CD1 3.94Å; L181-I209 HydrophobicContact CD1-CG1 4.22Å; L181-I209 HydrophobicContact CD2-CD1 3.99Å; L181-I209 HydrophobicContact CD2-CG1 4.24Å; L181-I209 HydrophobicContact CG-CD1 4.41Å; L181-I209 HydrophobicContact CG-CG1 4.42Å
182L98.9Very high95.8Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-107.6124170.7-178.462000109.3Y161 M171 M173 P201 P205 I207 L208 I209 F412 L416Y161-L182 HydrophobicContact CD2-CD1 4.43Å; M171-L182 HydrophobicContact CB-CD1 4.04Å; M173-L182 HydrophobicContact CB-CD1 4.22Å; M173-L182 HydrophobicContact CE-CB 3.97Å; M173-L182 HydrophobicContact CE-CD1 4.04Å; M173-L182 HydrophobicContact CE-CD2 4.34Å; M173-L182 HydrophobicContact CE-CG 4.35Å; M173-L182 HydrophobicContact SD-CB 4.05Å; M173-L182 HydrophobicContact SD-CD1 4.48Å; L182-P201 HydrophobicContact CD1-CG 4.49Å; L182-P201 HydrophobicContact CD2-CG 3.85Å; L182-P205 HydrophobicContact CB-CB 3.89Å; L182-P205 HydrophobicContact CB-CG 3.94Å; L182-P205 HydrophobicContact CD2-CG 4.47Å; L182-I207 PolarHBondContact N-O 2.99Å; L182-L208 HydrophobicContact CB-CD1 4.06Å; L182-L208 HydrophobicContact CD2-CD1 3.96Å; L182-L208 HydrophobicContact CG-CD1 4.07Å; L182-I209 PolarHBondContact O-N 3.23Å; L182-F412 HydrophobicContact CD2-CE1 4.24Å; L182-F412 HydrophobicContact CD2-CZ 4.08Å; L182-L416 HydrophobicContact CD2-CD1 3.8Å
183Y98.9Very high95.5Very high3 Ų323.2 Ų23.21%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-107.7121.4168.9173.5-125.1000109.6I35 L46 D47 M171 F172 I209I35-Y183 HydrophobicContact CD1-CD2 4.45Å; I35-Y183 HydrophobicContact CD1-CE2 3.69Å; L46-Y183 HydrophobicContact CB-CD1 3.91Å; L46-Y183 HydrophobicContact CB-CE1 3.95Å; L46-Y183 HydrophobicContact CB-CG 4.38Å; L46-Y183 HydrophobicContact CD1-CD1 4.22Å; L46-Y183 HydrophobicContact CD1-CD2 4.4Å; L46-Y183 HydrophobicContact CD1-CG 3.93Å; L46-Y183 HydrophobicContact CD2-CD1 4.42Å; L46-Y183 HydrophobicContact CG-CD1 4.41Å; D47-Y183 WeakPolarHBondContact OD2-CE1 3.37Å; D47-Y183 VanDerWaalsContact OD2-CZ 3.27Å; D47-Y183 PolarHBondContact OD2-OH 3.31Å; M171-Y183 CarbonylContact C-O 3.55Å; M171-Y183 VanDerWaalsContact CA-O 3.26Å; M171-Y183 WeakPolarHBondContact CA-O 3.23Å; F172-Y183 PolarHBondContact N-O 2.75Å; F172-Y183 PolarHBondContact O-N 2.9Å; Y183-I209 HydrophobicContact CD2-CB 3.9Å; Y183-I209 HydrophobicContact CD2-CG2 3.67Å; Y183-I209 HydrophobicContact CE2-CG2 4.07Å
184T98.8Very high95.1Very high0 Ų023.2 Ų23.20%012%0.123CC..  trans-77.9-27.6-175.661.20000113.4M171 F187 L208 I209 I210 E211 F412M171-T184 WeakPolarHBondContact CG-O 3.43Å; M171-T184 HydrophobicContact SD-CG2 4.21Å; T184-F187 HydrophobicContact CG2-CD1 4.41Å; T184-F187 HydrophobicContact CG2-CE1 4.48Å; T184-L208 HydrophobicContact CG2-CD1 3.96Å; T184-I209 PolarHBondContact N-O 2.83Å; T184-I210 HydrophobicContact CG2-CB 4.27Å; T184-I210 HydrophobicContact CG2-CG1 4.04Å; T184-I210 WeakPolarHBondContact OG1-CA 3.47Å; T184-E211 PolarHBondContact OG1-N 2.83Å; T184-F412 HydrophobicContact CG2-CE1 4.11Å
185G98.4Very high94.9Very high2 Ų223.3 Ų23.32%0.02112%0.123CC..  trans54.3-143.1-153.700000109.6
186D98.3Very high94.7Very high2 Ų222.1 Ų22.11%0.01112%0.118CC..SBendtrans-90.3135.6168.1-69.2-9.6000110.7H78 H83 H165 E211 H403 H425H78-D186 IonicContact CE1-OD2 3.66Å; H78-D186 IonicContact NE2-OD2 3.46Å; H83-D186 IonicContact CE1-OD1 3.41Å; H83-D186 IonicContact NE2-OD1 3.27Å; H83-D186 IonicContact NE2-OD2 3.31Å; H83-D186 PolarHBondContact NE2-OD2 3.32Å; H165-D186 VanDerWaalsContact CD2-CB 3.5Å; H165-D186 WeakPolarHBondContact CD2-CB 3.45Å; H165-D186 IonicContact NE2-OD2 3.71Å; D186-E211 WeakPolarHBondContact CA-OE1 3.37Å; D186-H403 IonicContact OD2-CE1 3.23Å; D186-H403 PolarHBondContact OD2-CE1 2.95Å; D186-H403 VanDerWaalsContact OD2-CE1 3.28Å; D186-H403 IonicContact OD2-ND1 3.29Å; D186-H425 IonicContact OD1-CE1 3.04Å; D186-H425 PolarHBondContact OD1-CE1 3.04Å; D186-H425 IonicContact OD1-CG 3.78Å; D186-H425 IonicContact OD1-ND1 3.75Å; D186-H425 PolarHBondContact OD1-ND1 2.68Å; D186-H425 IonicContact OD2-CE1 3.91Å; D186-H425 PolarHBondContact OD2-CE1 3.17Å; D186-H425 IonicContact OD2-ND1 3.78Å
187F97.9Very high94.9Very high0 Ų023.1 Ų23.10%013%0.127CC..  trans-144.4152-174.383-61.6000113.2A163 M171 T184 R189 A198 I210 E211 T404 F412A163-F187 HydrophobicContact CB-CB 4.02Å; A163-F187 CarbonylContact O-C 3.55Å; A163-F187 WeakPolarHBondContact O-CA 3.12Å; A163-F187 WeakPolarHBondContact O-CB 3.46Å; M171-F187 HydrophobicContact SD-CB 4.36Å; M171-F187 HydrophobicContact SD-CD2 4.24Å; M171-F187 HydrophobicContact SD-CG 4.48Å; T184-F187 HydrophobicContact CG2-CD1 4.41Å; T184-F187 HydrophobicContact CG2-CE1 4.48Å; F187-R189 HydrophobicContact CD2-CG 4.07Å; F187-R189 HydrophobicContact CE2-CG 3.74Å; F187-A198 HydrophobicContact CB-CB 4.08Å; F187-A198 HydrophobicContact CD2-CB 3.65Å; F187-A198 HydrophobicContact CG-CB 4.36Å; F187-I210 HydrophobicContact CE1-CD1 3.92Å; F187-I210 HydrophobicContact CE1-CG1 3.82Å; F187-I210 HydrophobicContact CZ-CD1 3.8Å; F187-I210 HydrophobicContact CZ-CG1 4.24Å; F187-E211 HydrophobicContact CD1-CG 3.81Å; F187-E211 HydrophobicContact CE1-CG 3.9Å; F187-E211 PolarHBondContact N-OE1 3.37Å; F187-E211 VanDerWaalsContact O-OE1 3.14Å; F187-T404 HydrophobicContact CD1-CG2 4.19Å; F187-T404 HydrophobicContact CD2-CG2 3.94Å; F187-T404 HydrophobicContact CE1-CG2 3.78Å; F187-T404 VanDerWaalsContact CE1-OG1 3.23Å; F187-T404 WeakPolarHBondContact CE1-OG1 3.44Å; F187-T404 HydrophobicContact CE2-CG2 3.51Å; F187-T404 HydrophobicContact CG-CG2 4.26Å; F187-T404 HydrophobicContact CZ-CG2 3.41Å; F187-T404 VanDerWaalsContact CZ-CG2 3.41Å; F187-T404 WeakPolarHBondContact CZ-OG1 3.47Å; F187-T404 PolarHBondContact O-N 3.26Å; F187-F412 HydrophobicContact CE2-CB 4.37Å; F187-F412 HydrophobicContact CE2-CD1 4.19Å; F187-F412 AromaticContact CE2-CD2 3.93Å; F187-F412 HydrophobicContact CE2-CD2 3.93Å; F187-F412 HydrophobicContact CE2-CE1 4.44Å; F187-F412 HydrophobicContact CE2-CE2 4.2Å; F187-F412 AromaticContact CE2-CG 3.91Å; F187-F412 HydrophobicContact CE2-CG 3.91Å; F187-F412 HydrophobicContact CE2-CZ 4.44Å; F187-F412 HydrophobicContact CZ-CB 4.49Å; F187-F412 HydrophobicContact CZ-CD1 4.25Å; F187-F412 HydrophobicContact CZ-CG 4.25Å
188S96.6Very high95.3Very high7 Ų721.3 Ų21.35%0.04911%0.112CC..  trans-127.8128.6177.170.90000111.1A163 H165 A197 A198 A402A163-S188 PolarHBondContact O-N 3.19Å; H165-S188 PolarHBondContact N-OG 3.44Å; S188-A197 CarbonylContact O-C 3.54Å; S188-A198 WeakPolarHBondContact O-CB 3.46Å; S188-A198 PolarHBondContact O-N 3.42Å; S188-A402 VanDerWaalsContact CB-O 3.28Å; S188-A402 WeakPolarHBondContact CB-O 3.48Å
189R95.4Very high95.7Very high63 Ų6322 Ų2224%0.23811%0.105CC..SBendtrans-94.65178.8-74.7-72.5-64.4135.57.2114.6F187 A197 A198 T404 Q408F187-R189 HydrophobicContact CD2-CG 4.07Å; F187-R189 HydrophobicContact CE2-CG 3.74Å; R189-A197 WeakPolarHBondContact O-CB 3.47Å; R189-A198 VanDerWaalsContact CD-O 3.3Å; R189-A198 WeakPolarHBondContact CD-O 3.08Å; R189-A198 HydrophobicContact CG-CB 4.38Å; R189-A198 PolarHBondContact NH1-O 3.15Å; R189-T404 HydrophobicContact CB-CG2 4.14Å; R189-T404 HydrophobicContact CG-CG2 3.91Å; R189-Q408 HydrophobicContact CB-CB 4.09Å; R189-Q408 HydrophobicContact CB-CG 4.11Å
190Q92.6Very high95.9Very high72 Ų7224.4 Ų24.434%0.33612%0.117SC..SBendtrans-105136.1172.3-170.817251.500110.1
191E91.9Very high95.9Very high73 Ų7322.6 Ų22.634%0.34111%0.11SC..  trans-71.2132.1170.9-164.1-171.9-159.500109.3L195 N297 K299E191-L195 VanDerWaalsContact CG-O 3.29Å; E191-L195 WeakPolarHBondContact CG-O 3.43Å; E191-N297 HydrophobicContact CG-CB 4.39Å; E191-N297 WeakPolarHBondContact OE1-CB 3.32Å; E191-K299 IonicContact OE1-NZ 2.76Å; E191-K299 IonicContact OE2-NZ 3.94Å; E191-K299 PolarHBondContact OE2-NZ 2.83Å
192D89.6Confident95.6Very high15 Ų1527.9 Ų27.98%0.0815%0.147CC..  trans-101.3-170.217477.722000110.3H194 L195 R252 E255 N297D192-H194 PolarHBondContact O-N 2.85Å; D192-H194 IonicContact OD1-CE1 3.03Å; D192-H194 IonicContact OD1-CG 3.73Å; D192-H194 PolarHBondContact OD1-N 2.82Å; D192-H194 IonicContact OD1-ND1 3.76Å; D192-H194 PolarHBondContact OD1-ND1 2.88Å; D192-H194 IonicContact OD2-CE1 3.4Å; D192-H194 IonicContact OD2-ND1 3.33Å; D192-L195 PolarHBondContact N-O 2.88Å; D192-L195 WeakPolarHBondContact OD1-CA 3.37Å; D192-L195 WeakPolarHBondContact OD1-CB 3.46Å; D192-L195 PolarHBondContact OD1-N 2.83Å; D192-R252 IonicContact OD2-CZ 3.08Å; D192-R252 IonicContact OD2-NH1 3.34Å; D192-R252 PolarHBondContact OD2-NH1 3.41Å; D192-R252 IonicContact OD2-NH2 3.57Å; D192-R252 PolarHBondContact OD2-NH2 3Å; D192-E255 WeakPolarHBondContact CB-OE1 3.35Å; D192-N297 PolarHBondContact O-ND2 3.32Å; D192-N297 VanDerWaalsContact O-ND2 3.12Å
193R92.7Very high95.3Very high48 Ų4830.3 Ų30.318%0.18116%0.161CC..SBendtrans-63.8-29.6-179.1-69.3169.3167.5-96.9-0.1112.3E226 E255 L258 E262 N297 I300R193-E226 IonicContact CZ-OE2 3.98Å; R193-E226 IonicContact NE-OE1 3.4Å; R193-E226 IonicContact NE-OE2 3.62Å; R193-E226 PolarHBondContact NE-OE2 2.83Å; R193-E226 VanDerWaalsContact NE-OE2 3.08Å; R193-E226 IonicContact NH2-OE2 3.98Å; R193-E226 PolarHBondContact NH2-OE2 2.99Å; R193-E255 WeakPolarHBondContact CB-OE1 3.49Å; R193-E255 WeakPolarHBondContact CB-OE2 3.1Å; R193-E255 VanDerWaalsContact CG-OE1 3.27Å; R193-E255 WeakPolarHBondContact CG-OE1 3.38Å; R193-E255 PolarHBondContact N-OE1 2.87Å; R193-E255 PolarHBondContact N-OE2 3.4Å; R193-L258 HydrophobicContact CB-CD1 4.15Å; R193-E262 IonicContact CZ-OE1 3.49Å; R193-E262 IonicContact CZ-OE2 3.33Å; R193-E262 IonicContact NH1-OE1 2.73Å; R193-E262 PolarHBondContact NH1-OE1 2.99Å; R193-E262 VanDerWaalsContact NH1-OE1 3.14Å; R193-E262 IonicContact NH1-OE2 3.51Å; R193-E262 PolarHBondContact NH1-OE2 2.95Å; R193-E262 IonicContact NH2-OE1 2.75Å; R193-E262 PolarHBondContact NH2-OE1 2.79Å; R193-E262 IonicContact NH2-OE2 3.28Å; R193-N297 VanDerWaalsContact C-ND2 3.32Å; R193-N297 PolarHBondContact O-ND2 3.04Å; R193-I300 WeakPolarHBondContact O-CG1 3.18Å
194H91.8Very high95.2Very high0 Ų036 Ų360%019%0.186CC..SBendtrans-125.2-22.4-173.570.5-67.6000117.2D192 E255 L258 Y289 M296 N297 I300 F310D192-H194 PolarHBondContact O-N 2.85Å; D192-H194 IonicContact OD1-CE1 3.03Å; D192-H194 IonicContact OD1-CG 3.73Å; D192-H194 PolarHBondContact OD1-N 2.82Å; D192-H194 IonicContact OD1-ND1 3.76Å; D192-H194 PolarHBondContact OD1-ND1 2.88Å; D192-H194 IonicContact OD2-CE1 3.4Å; D192-H194 IonicContact OD2-ND1 3.33Å; H194-E255 IonicContact CE1-OE2 3.98Å; H194-E255 PolarHBondContact CE1-OE2 3.32Å; H194-E255 IonicContact CG-OE2 3.49Å; H194-E255 IonicContact ND1-OE2 3.08Å; H194-E255 PolarHBondContact ND1-OE2 3.25Å; H194-L258 HydrophobicContact CB-CD1 3.93Å; H194-Y289 AromaticContact NE2-CE1 3.88Å; H194-M296 CarbonylContact O-C 3.57Å; H194-M296 WeakPolarHBondContact O-CA 3.28Å; H194-M296 WeakPolarHBondContact O-CB 3.45Å; H194-N297 WeakPolarHBondContact CA-ND2 3.27Å; H194-N297 PolarHBondContact N-ND2 3.02Å; H194-N297 PolarHBondContact O-N 3.25Å; H194-I300 HydrophobicContact CB-CD1 4.28Å; H194-I300 HydrophobicContact CB-CG1 3.86Å; H194-F310 HydrophobicContact CB-CZ 3.94Å
195L93.9Very high95.1Very high4 Ų436.1 Ų36.12%0.02119%0.187CC..SBendtrans-106.3152.4-179.8-57.8-174.8000111.6V166 L167 E191 D192V166-L195 VanDerWaalsContact CA-CD1 3.49Å; L167-L195 HydrophobicContact CB-CD2 4.2Å; L167-L195 HydrophobicContact CD1-CD2 3.96Å; E191-L195 VanDerWaalsContact CG-O 3.29Å; E191-L195 WeakPolarHBondContact CG-O 3.43Å; D192-L195 PolarHBondContact N-O 2.88Å; D192-L195 WeakPolarHBondContact OD1-CA 3.37Å; D192-L195 WeakPolarHBondContact OD1-CB 3.46Å; D192-L195 PolarHBondContact OD1-N 2.83Å
196M93.3Very high95.1Very high31 Ų3138.1 Ų38.115%0.15320%0.197CC..PPolyproline II helixtrans-80.3157.8171.356.4-173.36500111.4H162 G164 M296H162-M196 HydrophobicContact CB-CG 4.14Å; H162-M196 HydrophobicContact CB-SD 3.63Å; H162-M196 PolarHBondContact CD2-SD 2.92Å; G164-M196 WeakPolarHBondContact CA-O 2.96Å; M196-M296 WeakPolarHBondContact CE-O 3.2Å
197A96.2Very high95.1Very high26 Ų2638 Ų3822%0.21520%0.197CC..PPolyproline II helixtrans-66.4150.7165.900000110.7S188 R189S188-A197 CarbonylContact O-C 3.54Å; R189-A197 WeakPolarHBondContact O-CB 3.47Å
198A97.7Very high95.2Very high0 Ų038 Ų380%020%0.197CC..PPolyproline II helixtrans-56.4141.117400000110.9H162 A163 M171 F187 S188 R189H162-A198 CarbonylContact O-C 3.56Å; H162-A198 WeakPolarHBondContact O-CA 3.49Å; A163-A198 VanDerWaalsContact O-CB 3.3Å; A163-A198 WeakPolarHBondContact O-CB 3.45Å; M171-A198 HydrophobicContact CE-CB 4.1Å; M171-A198 HydrophobicContact SD-CB 4.32Å; F187-A198 HydrophobicContact CB-CB 4.08Å; F187-A198 HydrophobicContact CD2-CB 3.65Å; F187-A198 HydrophobicContact CG-CB 4.36Å; S188-A198 WeakPolarHBondContact O-CB 3.46Å; S188-A198 PolarHBondContact O-N 3.42Å; R189-A198 VanDerWaalsContact CD-O 3.3Å; R189-A198 WeakPolarHBondContact CD-O 3.08Å; R189-A198 HydrophobicContact CG-CB 4.38Å; R189-A198 PolarHBondContact NH1-O 3.15Å
199E97.8Very high95.3Very high54 Ų5437.7 Ų37.725%0.25219%0.194SC..PPolyproline II helixtrans-77.2152.9-179.8-66.517517100112.3H148 Y161 H162 M171 P201 F412H148-E199 IonicContact CD2-OE2 3.96Å; H148-E199 IonicContact CE1-OE1 3.89Å; H148-E199 PolarHBondContact CE1-OE1 3.41Å; H148-E199 IonicContact CE1-OE2 3.47Å; H148-E199 IonicContact NE2-OE1 2.7Å; H148-E199 PolarHBondContact NE2-OE1 3.31Å; H148-E199 IonicContact NE2-OE2 3.31Å; H148-E199 PolarHBondContact NE2-OE2 2.81Å; Y161-E199 VanDerWaalsContact CD1-OE2 3.24Å; Y161-E199 WeakPolarHBondContact CD1-OE2 3.45Å; H162-E199 HydrophobicContact CB-CG 4.21Å; H162-E199 IonicContact CD2-OE1 3.7Å; H162-E199 PolarHBondContact CD2-OE1 2.84Å; H162-E199 VanDerWaalsContact CD2-OE1 3.31Å; H162-E199 PolarHBondContact O-N 2.96Å; M171-E199 HydrophobicContact CE-CB 4.5Å; M171-E199 WeakPolarHBondContact CE-O 3.41Å; E199-P201 WeakPolarHBondContact O-CD 3.45Å; E199-F412 WeakPolarHBondContact O-CE2 3.46Å
200I97.9Very high95.5Very high63 Ų6334.7 Ų34.732%0.32318%0.183SC..  trans-96.9112.7165.1-60.8178.5000107.1S202 F412 A415 L416I200-S202 PolarHBondContact O-N 2.94Å; I200-F412 HydrophobicContact CG1-CD2 4Å; I200-F412 HydrophobicContact CG1-CE2 4.15Å; I200-A415 HydrophobicContact CD1-CB 4.09Å; I200-A415 HydrophobicContact CG2-CB 3.9Å; I200-L416 HydrophobicContact CG2-CD2 4.14Å
201P96.6Very high95.7Very high7 Ų731.3 Ų31.35%0.04517%0.168CC..  trans-57136.5179.1-29.738.4000112.6Y161 M173 L182 E199 L416Y161-P201 HydrophobicContact CD2-CB 4.28Å; Y161-P201 HydrophobicContact CD2-CG 3.67Å; Y161-P201 HydrophobicContact CE1-CB 4.28Å; Y161-P201 HydrophobicContact CE1-CG 4.48Å; Y161-P201 HydrophobicContact CE2-CB 3.68Å; Y161-P201 HydrophobicContact CE2-CG 3.57Å; Y161-P201 HydrophobicContact CG-CG 4.17Å; M173-P201 HydrophobicContact CE-CB 4.1Å; M173-P201 HydrophobicContact CE-CG 4.37Å; L182-P201 HydrophobicContact CD1-CG 4.49Å; L182-P201 HydrophobicContact CD2-CG 3.85Å; E199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-L416 HydrophobicContact CB-CD2 4.43Å
202S92.5Very high96Very high115 Ų11528 Ų2880%0.80415%0.152SC*.SBendtrans-70.5-25.5170.756.30000112.3I200I200-S202 PolarHBondContact O-N 2.94Å
203V93.8Very high96.1Very high51 Ų5127.3 Ų27.331%0.30915%0.148SC..SBendtrans-86.5120.7175-177.40000109M173 K180M173-V203 WeakPolarHBondContact CE-O 3.31Å; K180-V203 HydrophobicContact CD-CG1 3.58Å
204K95.6Very high96.1Very high123 Ų12325.8 Ų25.854%0.53514%0.143SC..PPolyproline II helixtrans-77.7127.8178-67-173.4173.3-170.90111.2K180 L416K180-K204 WeakPolarHBondContact CE-O 3.37Å; K204-L416 WeakPolarHBondContact CD-O 3.29Å
205P97.8Very high95.8Very high3 Ų325.8 Ų25.82%0.01914%0.143CC..PPolyproline II helixtrans-81.1152.1174.432.9-33.1000111.6M173 L182 I207 L416 P418M173-P205 HydrophobicContact CE-CB 4.16Å; M173-P205 HydrophobicContact CE-CG 4.48Å; M173-P205 HydrophobicContact SD-CB 4.14Å; L182-P205 HydrophobicContact CB-CB 3.89Å; L182-P205 HydrophobicContact CB-CG 3.94Å; L182-P205 HydrophobicContact CD2-CG 4.47Å; P205-I207 WeakPolarHBondContact CB-O 3.18Å; P205-L416 HydrophobicContact CG-CD1 4.34Å; P205-P418 HydrophobicContact CG-CB 4.45Å
206D97.7Very high95.6Very high43 Ų4327.8 Ų27.823%0.2316%0.156CC..SBendtrans-79.7-28.8170.3-56.5-66.6000110.9V179 K180 P419 H420 F465V179-D206 HydrophobicContact CG1-CB 4.34Å; K180-D206 PolarHBondContact N-OD2 3.33Å; K180-D206 IonicContact NZ-OD2 3.56Å; K180-D206 PolarHBondContact NZ-OD2 2.81Å; K180-D206 WeakPolarHBondContact O-CA 3.45Å; K180-D206 WeakPolarHBondContact O-CB 3.28Å; K180-D206 PolarHBondContact O-N 2.93Å; D206-P419 WeakPolarHBondContact O-CD 3.11Å; D206-H420 PolarHBondContact O-N 2.77Å; D206-F465 HydrophobicContact CB-CE1 3.9Å; D206-F465 HydrophobicContact CB-CZ 4.28Å
207I98.7Very high95.4Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-133.3132.4178.6-52.8161.9000109.4L19 I21 V179 K180 L181 L182 P205 I209 H420 I422 L463 F465L19-I207 HydrophobicContact CD1-CD1 3.66Å; L19-I207 HydrophobicContact CD2-CD1 3.6Å; L19-I207 HydrophobicContact CG-CD1 4.28Å; I21-I207 HydrophobicContact CD1-CD1 4.19Å; I21-I207 HydrophobicContact CD1-CG2 3.82Å; V179-I207 HydrophobicContact CG1-CD1 4.37Å; K180-I207 PolarHBondContact O-N 3.01Å; K180-I207 VanDerWaalsContact O-N 3.14Å; L181-I207 CarbonylContact C-O 3.59Å; L181-I207 WeakPolarHBondContact CA-O 3.41Å; L181-I207 HydrophobicContact CB-CB 4.29Å; L181-I207 HydrophobicContact CD1-CB 3.96Å; L181-I207 HydrophobicContact CD1-CD1 4.01Å; L181-I207 HydrophobicContact CD1-CG2 3.8Å; L181-I207 HydrophobicContact CG-CB 4.03Å; L181-I207 HydrophobicContact CG-CG2 4.16Å; L182-I207 PolarHBondContact N-O 2.99Å; P205-I207 WeakPolarHBondContact CB-O 3.18Å; I207-I209 HydrophobicContact CG2-CG1 4.49Å; I207-H420 WeakPolarHBondContact CA-O 3.37Å; I207-I422 HydrophobicContact CG2-CD1 3.82Å; I207-L463 HydrophobicContact CD1-CD1 3.85Å; I207-L463 HydrophobicContact CG1-CD1 3.9Å; I207-F465 HydrophobicContact CD1-CE2 3.65Å; I207-F465 HydrophobicContact CD1-CZ 3.82Å; I207-F465 HydrophobicContact CG1-CE2 4.09Å; I207-F465 HydrophobicContact CG1-CZ 3.73Å
208L98.9Very high95.1Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-115.3116.6172.117562.2000109.8L182 T184 I210 F412 I413 L416 P418 H420 V421 I422L182-L208 HydrophobicContact CB-CD1 4.06Å; L182-L208 HydrophobicContact CD2-CD1 3.96Å; L182-L208 HydrophobicContact CG-CD1 4.07Å; T184-L208 HydrophobicContact CG2-CD1 3.96Å; L208-I210 HydrophobicContact CD1-CB 4.36Å; L208-I210 HydrophobicContact CD2-CB 4.35Å; L208-I210 HydrophobicContact CD2-CD1 4.18Å; L208-I210 HydrophobicContact CG-CB 4.05Å; L208-I210 HydrophobicContact CG-CG2 4.4Å; L208-F412 HydrophobicContact CD1-CE1 4.13Å; L208-F412 HydrophobicContact CD2-CD1 4.31Å; L208-F412 HydrophobicContact CD2-CE1 4.36Å; L208-I413 HydrophobicContact CD2-CG1 3.92Å; L208-L416 HydrophobicContact CD2-CD1 4.49Å; L208-P418 HydrophobicContact CB-CB 3.88Å; L208-P418 HydrophobicContact CB-CG 3.66Å; L208-P418 HydrophobicContact CD2-CG 3.96Å; L208-P418 HydrophobicContact CG-CG 4.48Å; L208-H420 PolarHBondContact N-O 3.08Å; L208-V421 CarbonylContact O-C 3.59Å; L208-V421 WeakPolarHBondContact O-CA 3.38Å; L208-I422 PolarHBondContact O-N 2.78Å
209I98.9Very high94.7Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-96.3115.7166-54.4-179.3000107.3I21 I35 L46 L181 L182 Y183 T184 I207 I422 V424I21-I209 HydrophobicContact CD1-CD1 4.21Å; I21-I209 HydrophobicContact CG2-CD1 3.88Å; I35-I209 HydrophobicContact CD1-CG2 4.38Å; I35-I209 HydrophobicContact CG2-CD1 4.16Å; L46-I209 HydrophobicContact CD1-CD1 4.01Å; L181-I209 HydrophobicContact CD1-CD1 3.94Å; L181-I209 HydrophobicContact CD1-CG1 4.22Å; L181-I209 HydrophobicContact CD2-CD1 3.99Å; L181-I209 HydrophobicContact CD2-CG1 4.24Å; L181-I209 HydrophobicContact CG-CD1 4.41Å; L181-I209 HydrophobicContact CG-CG1 4.42Å; L182-I209 PolarHBondContact O-N 3.23Å; Y183-I209 HydrophobicContact CD2-CB 3.9Å; Y183-I209 HydrophobicContact CD2-CG2 3.67Å; Y183-I209 HydrophobicContact CE2-CG2 4.07Å; T184-I209 PolarHBondContact N-O 2.83Å; I207-I209 HydrophobicContact CG2-CG1 4.49Å; I209-I422 WeakPolarHBondContact CA-O 3.49Å; I209-I422 HydrophobicContact CG1-CB 4.27Å; I209-I422 HydrophobicContact CG1-CD1 4.32Å; I209-V424 HydrophobicContact CG2-CG1 4Å; I209-V424 HydrophobicContact CG2-CG2 3.69Å
210I98.8Very high94.3Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-130.1141.7-170.6-170.9165.1000111.6T184 F187 L208 T409 F412 I413 V421 I422 L423 V424T184-I210 HydrophobicContact CG2-CB 4.27Å; T184-I210 HydrophobicContact CG2-CG1 4.04Å; T184-I210 WeakPolarHBondContact OG1-CA 3.47Å; F187-I210 HydrophobicContact CE1-CD1 3.92Å; F187-I210 HydrophobicContact CE1-CG1 3.82Å; F187-I210 HydrophobicContact CZ-CD1 3.8Å; F187-I210 HydrophobicContact CZ-CG1 4.24Å; L208-I210 HydrophobicContact CD1-CB 4.36Å; L208-I210 HydrophobicContact CD2-CB 4.35Å; L208-I210 HydrophobicContact CD2-CD1 4.18Å; L208-I210 HydrophobicContact CG-CB 4.05Å; L208-I210 HydrophobicContact CG-CG2 4.4Å; I210-T409 HydrophobicContact CD1-CG2 3.85Å; I210-F412 HydrophobicContact CD1-CD1 4.01Å; I210-I413 HydrophobicContact CD1-CG1 4.35Å; I210-V421 HydrophobicContact CG2-CG1 3.75Å; I210-I422 PolarHBondContact N-O 2.83Å; I210-L423 HydrophobicContact CG2-CD2 3.66Å; I210-V424 PolarHBondContact O-N 2.82Å
211E98.4Very high94Very high2 Ų239.1 Ų39.11%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-63.1161.8172.266.8154139.200112.4T184 D186 F187 T213 H403 V424 H425T184-E211 PolarHBondContact OG1-N 2.83Å; D186-E211 WeakPolarHBondContact CA-OE1 3.37Å; F187-E211 HydrophobicContact CD1-CG 3.81Å; F187-E211 HydrophobicContact CE1-CG 3.9Å; F187-E211 PolarHBondContact N-OE1 3.37Å; F187-E211 VanDerWaalsContact O-OE1 3.14Å; E211-T213 VanDerWaalsContact OE2-CB 3.28Å; E211-T213 WeakPolarHBondContact OE2-CB 3.37Å; E211-T213 PolarHBondContact OE2-OG1 2.85Å; E211-H403 IonicContact OE1-CG 3.79Å; E211-H403 IonicContact OE1-ND1 2.89Å; E211-H403 PolarHBondContact OE1-ND1 2.88Å; E211-H403 IonicContact OE2-CE1 3.35Å; E211-H403 IonicContact OE2-CG 2.66Å; E211-H403 IonicContact OE2-ND1 2.67Å; E211-H403 PolarHBondContact OE2-ND1 2.69Å; E211-V424 CarbonylContact C-O 3.44Å; E211-V424 VanDerWaalsContact CA-O 3.31Å; E211-V424 WeakPolarHBondContact CA-O 3.4Å; E211-H425 HydrophobicContact CB-CB 4.08Å
212S97.6Very high93.8Very high2 Ų241.7 Ų41.71%0.01421%0.211CC..  trans-137.216.5-178.8540000114Y214 G215 V424 H425 G426 M431S212-Y214 PolarHBondContact O-N 3.19Å; S212-G215 PolarHBondContact O-N 3.06Å; S212-V424 PolarHBondContact N-O 2.87Å; S212-V424 PolarHBondContact OG-O 3.05Å; S212-H425 CarbonylContact C-O 3.3Å; S212-H425 PolarHBondContact N-O 3.42Å; S212-H425 PolarHBondContact OG-O 3.15Å; S212-G426 WeakPolarHBondContact OG-CA 3.43Å; S212-M431 WeakPolarHBondContact OG-CE 3.48Å
213T92.7Very high93.8Very high1 Ų142.9 Ų42.91%0.00620%0.204CC..THydrogen-bonded Turntrans-50.6-47.8-172.5-43.70000114.1E211 Y364 H403 H425E211-T213 VanDerWaalsContact OE2-CB 3.28Å; E211-T213 WeakPolarHBondContact OE2-CB 3.37Å; E211-T213 PolarHBondContact OE2-OG1 2.85Å; T213-Y364 HydrophobicContact CG2-CD2 3.88Å; T213-Y364 HydrophobicContact CG2-CE2 4.11Å; T213-Y364 HydrophobicContact CG2-CG 4.23Å; T213-H403 PolarHBondContact OG1-ND1 2.83Å; T213-H425 PolarHBondContact N-O 2.85Å; T213-H425 PolarHBondContact OG1-ND1 3.16Å; T213-H425 PolarHBondContact OG1-O 2.86Å
214Y91.5Very high93.9Very high16 Ų1645.3 Ų45.36%0.06321%0.212CC..BIsolated β-bridgetrans-12225178.4-70.2-90.1000113S212 T216 H217 Y364 Y397 S399 S401 H403 T404S212-Y214 PolarHBondContact O-N 3.19Å; Y214-T216 PolarHBondContact O-N 3.34Å; Y214-H217 HydrophobicContact CD1-CB 4.24Å; Y214-H217 AromaticContact CD1-CD2 3.7Å; Y214-H217 PolarHBondContact O-N 3.47Å; Y214-Y364 HydrophobicContact CE1-CD2 4.49Å; Y214-Y364 AromaticContact CE2-CD2 3.99Å; Y214-Y364 HydrophobicContact CE2-CD2 3.99Å; Y214-Y364 AromaticContact CZ-CD2 3.79Å; Y214-Y397 PolarHBondContact OH-OH 3.45Å; Y214-S399 PolarHBondContact OH-OG 3.43Å; Y214-S401 PolarHBondContact OH-OG 3.35Å; Y214-H403 HydrophobicContact CD2-CB 3.68Å; Y214-H403 AromaticContact CD2-CD2 3.9Å; Y214-H403 AromaticContact CD2-CG 4Å; Y214-H403 HydrophobicContact CE2-CB 4.28Å; Y214-H403 AromaticContact CE2-CD2 3.63Å; Y214-T404 WeakPolarHBondContact CB-O 3.33Å
215G85.4Confident93.8Very high1 Ų140.5 Ų40.51%0.0119%0.191CC..THydrogen-bonded Turntrans-65.5-4.6-171.600000115.8S212 Y406 L434S212-G215 PolarHBondContact O-N 3.06Å; G215-Y406 VanDerWaalsContact O-CB 3.28Å; G215-Y406 WeakPolarHBondContact O-CB 3.36Å; G215-Y406 VanDerWaalsContact O-CD2 3.29Å; G215-Y406 WeakPolarHBondContact O-CD2 3.31Å; G215-L434 WeakPolarHBondContact O-CD1 3.43Å
216T89.7Confident93.8Very high46 Ų4641.3 Ų41.328%0.28219%0.194SC..THydrogen-bonded Turntrans-115.6-2.2174.563.50000113.7Y214 E430 R433 L434Y214-T216 PolarHBondContact O-N 3.34Å; T216-E430 HydrophobicContact CG2-CB 4.45Å; T216-E430 WeakPolarHBondContact CG2-O 3.39Å; T216-R433 HydrophobicContact CG2-CB 3.52Å; T216-L434 HydrophobicContact CG2-CB 4.26Å
217H90.1Very high93.7Very high76 Ų7641.4 Ų41.435%0.35220%0.201SC..  trans-95.8167.2178.7-62.2-77.3000110Y214 D405 Y406 E430Y214-H217 HydrophobicContact CD1-CB 4.24Å; Y214-H217 AromaticContact CD1-CD2 3.7Å; Y214-H217 PolarHBondContact O-N 3.47Å; H217-D405 WeakPolarHBondContact O-CB 3.48Å; H217-Y406 PolarHBondContact O-N 3.39Å; H217-E430 IonicContact CD2-OE1 2.78Å; H217-E430 IonicContact CE1-OE1 2.94Å; H217-E430 IonicContact NE2-OE1 3.54Å; H217-E430 PolarHBondContact NE2-OE1 3.28Å
218I90.3Very high93.7Very high109 Ų10946 Ų4656%0.55922%0.218SC*.  trans-126.8127.3170-63.4-65000106.6Q407I218-Q407 HydrophobicContact CD1-CB 4.34Å
219H87.6Confident93.6Very high36 Ų3646 Ų4617%0.16722%0.218CC..PPolyproline II helixtrans-72140.1179.7-74.3-51.3000110.9H403 D405H219-H403 PolarHBondContact NE2-O 2.97Å; H219-D405 VanDerWaalsContact CD2-CB 3.48Å; H219-D405 WeakPolarHBondContact CD2-CB 3.12Å; H219-D405 IonicContact CD2-OD2 3.77Å; H219-D405 IonicContact CG-OD2 3.52Å; H219-D405 PolarHBondContact N-OD2 3.03Å
220E89.7Confident93.6Very high59 Ų5946.3 Ų46.328%0.27622%0.221SC..PPolyproline II helixtrans-62.8158.6160.963.9-178153.400109.9R222 R225 R228E220-R222 PolarHBondContact O-N 3.4Å; E220-R225 HydrophobicContact CG-CB 3.78Å; E220-R225 HydrophobicContact CG-CG 4.39Å; E220-R225 WeakPolarHBondContact OE1-CB 3.46Å; E220-R225 VanDerWaalsContact OE1-CG 3.3Å; E220-R225 WeakPolarHBondContact OE1-CG 3.39Å; E220-R228 IonicContact OE1-CZ 3.81Å; E220-R228 IonicContact OE1-NE 3.31Å; E220-R228 PolarHBondContact OE1-NE 3.41Å; E220-R228 IonicContact OE1-NH2 3.23Å; E220-R228 PolarHBondContact OE1-NH2 3.01Å; E220-R228 IonicContact OE2-CZ 2.7Å; E220-R228 IonicContact OE2-NE 2.64Å; E220-R228 PolarHBondContact OE2-NE 2.77Å; E220-R228 IonicContact OE2-NH2 3.9Å
221K91.7Very high93.6Very high131 Ų13150.2 Ų50.257%0.5724%0.242SC*.PPolyproline II helixtrans-63144.4177.9-68.4-179.3-174.1163.60109.8E223 E224 R225K221-E223 PolarHBondContact O-N 3.33Å; K221-E224 HydrophobicContact CB-CB 4.36Å; K221-E224 HydrophobicContact CB-CG 4.12Å; K221-E224 PolarHBondContact N-OE2 3.44Å; K221-E224 WeakPolarHBondContact O-CB 3.32Å; K221-E224 PolarHBondContact O-N 3.4Å; K221-R225 PolarHBondContact O-N 3.34Å
222R91.8Very high93.6Very high62 Ų6251.1 Ų51.123%0.23425%0.247CC..Hα-helixtrans-52.6-43.3179.1-173.5179.471.195.612.2112.2E220 R225 E226E220-R222 PolarHBondContact O-N 3.4Å; R222-R225 PolarHBondContact O-N 2.9Å; R222-E226 HydrophobicContact CG-CG 4.41Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.55Å; R222-E226 IonicContact NE-OE1 3.96Å; R222-E226 IonicContact NH1-OE1 3.84Å; R222-E226 PolarHBondContact NH1-OE1 3.19Å; R222-E226 WeakPolarHBondContact O-CB 3.29Å; R222-E226 WeakPolarHBondContact O-CG 3.28Å; R222-E226 PolarHBondContact O-N 3.23Å
223E93.4Very high93.6Very high140 Ų14051 Ų5165%0.65425%0.247SC*.Hα-helixtrans-62.1-42.3178.4-65.7154.7-156.100112.4K221 A227K221-E223 PolarHBondContact O-N 3.33Å; E223-A227 VanDerWaalsContact O-CB 3.3Å; E223-A227 WeakPolarHBondContact O-CB 3.39Å; E223-A227 PolarHBondContact O-N 3.34Å
224E95.3Very high93.9Very high102 Ų10252.2 Ų52.248%0.47725%0.252SS..Hα-helixtrans-68.1-41.9178.2-66.8165.7-176.500110.7K221 A227 R228K221-E224 HydrophobicContact CB-CB 4.36Å; K221-E224 HydrophobicContact CB-CG 4.12Å; K221-E224 PolarHBondContact N-OE2 3.44Å; K221-E224 WeakPolarHBondContact O-CB 3.32Å; K221-E224 PolarHBondContact O-N 3.4Å; E224-A227 PolarHBondContact O-N 3Å; E224-R228 WeakPolarHBondContact O-CB 3.21Å; E224-R228 PolarHBondContact O-N 3.31Å
225R94.7Very high94.2Very high22 Ų2256.2 Ų56.28%0.08328%0.275CS..Hα-helixtrans-63.1-48.1175.2-174.3169.348.9-146.4-9.5112.9E220 K221 R222 A227 R228 F229 I398 S399 F400E220-R225 HydrophobicContact CG-CB 3.78Å; E220-R225 HydrophobicContact CG-CG 4.39Å; E220-R225 WeakPolarHBondContact OE1-CB 3.46Å; E220-R225 VanDerWaalsContact OE1-CG 3.3Å; E220-R225 WeakPolarHBondContact OE1-CG 3.39Å; K221-R225 PolarHBondContact O-N 3.34Å; R222-R225 PolarHBondContact O-N 2.9Å; R225-A227 VanDerWaalsContact C-N 3.32Å; R225-R228 PolarHBondContact O-N 3.38Å; R225-F229 WeakPolarHBondContact O-CB 3.41Å; R225-F229 PolarHBondContact O-N 2.78Å; R225-I398 HydrophobicContact CG-CG2 3.8Å; R225-S399 WeakPolarHBondContact CD-O 3.45Å; R225-S399 PolarHBondContact NH1-O 2.64Å; R225-S399 VanDerWaalsContact NH1-O 3.12Å; R225-F400 HydrophobicContact CG-CE1 4.08Å; R225-F400 HydrophobicContact CG-CE2 3.93Å; R225-F400 HydrophobicContact CG-CZ 3.67Å
226E96.5Very high94.8Very high19 Ų1956.3 Ų56.39%0.08928%0.275CS..Hα-helixtrans-60.8-44.2177.7-75.7-175.3-148.900110.2R193 R222 F229 C230 I259 F400R193-E226 IonicContact CZ-OE2 3.98Å; R193-E226 IonicContact NE-OE1 3.4Å; R193-E226 IonicContact NE-OE2 3.62Å; R193-E226 PolarHBondContact NE-OE2 2.83Å; R193-E226 VanDerWaalsContact NE-OE2 3.08Å; R193-E226 IonicContact NH2-OE2 3.98Å; R193-E226 PolarHBondContact NH2-OE2 2.99Å; R222-E226 HydrophobicContact CG-CG 4.41Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.55Å; R222-E226 IonicContact NE-OE1 3.96Å; R222-E226 IonicContact NH1-OE1 3.84Å; R222-E226 PolarHBondContact NH1-OE1 3.19Å; R222-E226 WeakPolarHBondContact O-CB 3.29Å; R222-E226 WeakPolarHBondContact O-CG 3.28Å; R222-E226 PolarHBondContact O-N 3.23Å; E226-F229 PolarHBondContact O-N 2.99Å; E226-C230 WeakPolarHBondContact O-CB 3.34Å; E226-C230 PolarHBondContact O-N 2.65Å; E226-C230 PolarHBondContact O-SG 3.42Å; E226-C230 VanDerWaalsContact O-SG 3.33Å; E226-I259 HydrophobicContact CG-CD1 3.87Å; E226-I259 HydrophobicContact CG-CG1 4.2Å; E226-F400 HydrophobicContact CG-CE1 4.33Å
227A96.6Very high95.2Very high46 Ų4654.3 Ų54.338%0.3826%0.262SS..Hα-helixtrans-62.3-45.7175.500000112.1E223 E224 R225 F229 C230 N231E223-A227 VanDerWaalsContact O-CB 3.3Å; E223-A227 WeakPolarHBondContact O-CB 3.39Å; E223-A227 PolarHBondContact O-N 3.34Å; E224-A227 PolarHBondContact O-N 3Å; R225-A227 VanDerWaalsContact C-N 3.32Å; A227-F229 PolarHBondContact O-N 2.67Å; A227-C230 PolarHBondContact O-N 3.02Å; A227-N231 VanDerWaalsContact O-CB 3.31Å; A227-N231 WeakPolarHBondContact O-CB 3.47Å; A227-N231 PolarHBondContact O-N 2.81Å; A227-N231 PolarHBondContact O-ND2 3.02Å
228R97.8Very high95.5Very high96 Ų9655.4 Ų55.436%0.36227%0.271SS..Hα-helixtrans-59.5-46.6177.3-173.5165.268.2101.3-2.2111.2E220 E224 R225 N231 T232 Y397 I398E220-R228 IonicContact OE1-CZ 3.81Å; E220-R228 IonicContact OE1-NE 3.31Å; E220-R228 PolarHBondContact OE1-NE 3.41Å; E220-R228 IonicContact OE1-NH2 3.23Å; E220-R228 PolarHBondContact OE1-NH2 3.01Å; E220-R228 IonicContact OE2-CZ 2.7Å; E220-R228 IonicContact OE2-NE 2.64Å; E220-R228 PolarHBondContact OE2-NE 2.77Å; E220-R228 IonicContact OE2-NH2 3.9Å; E224-R228 WeakPolarHBondContact O-CB 3.21Å; E224-R228 PolarHBondContact O-N 3.31Å; R225-R228 PolarHBondContact O-N 3.38Å; R228-N231 PolarHBondContact O-N 2.88Å; R228-T232 PolarHBondContact O-N 3.46Å; R228-T232 PolarHBondContact O-OG1 3.44Å; R228-Y397 PolarHBondContact NH1-O 3Å; R228-Y397 VanDerWaalsContact NH1-O 3.15Å; R228-I398 HydrophobicContact CG-CD1 4.26Å
229F98Very high95.9Very high0 Ų054.9 Ų54.90%026%0.262CS..Hα-helixtrans-57.6-53.2175.7174.1-106.4000112.5R225 E226 A227 N231 T232 V233 I245 L256 I259 L260 I360 I398 F400R225-F229 WeakPolarHBondContact O-CB 3.41Å; R225-F229 PolarHBondContact O-N 2.78Å; E226-F229 PolarHBondContact O-N 2.99Å; A227-F229 PolarHBondContact O-N 2.67Å; F229-N231 VanDerWaalsContact C-N 3.33Å; F229-N231 PolarHBondContact O-N 3.29Å; F229-T232 PolarHBondContact O-N 3.44Å; F229-V233 HydrophobicContact CE1-CG2 4.48Å; F229-V233 HydrophobicContact CE2-CG2 4.15Å; F229-V233 HydrophobicContact CZ-CG2 4.14Å; F229-V233 WeakPolarHBondContact O-CG2 3.24Å; F229-V233 PolarHBondContact O-N 2.95Å; F229-I245 HydrophobicContact CE2-CD1 4.01Å; F229-I245 HydrophobicContact CZ-CD1 3.83Å; F229-L256 HydrophobicContact CE1-CD2 4.15Å; F229-L256 HydrophobicContact CE2-CD2 4.12Å; F229-L256 HydrophobicContact CZ-CB 4.38Å; F229-L256 HydrophobicContact CZ-CD2 3.9Å; F229-I259 HydrophobicContact CD1-CG2 3.88Å; F229-I259 HydrophobicContact CE1-CG2 4.1Å; F229-L260 HydrophobicContact CE1-CD1 4.49Å; F229-L260 HydrophobicContact CE1-CD2 3.72Å; F229-L260 HydrophobicContact CE1-CG 3.87Å; F229-L260 HydrophobicContact CZ-CD1 4.31Å; F229-L260 HydrophobicContact CZ-CD2 4.1Å; F229-L260 HydrophobicContact CZ-CG 4.17Å; F229-I360 HydrophobicContact CD2-CD1 4.43Å; F229-I360 HydrophobicContact CD2-CG2 4.08Å; F229-I360 HydrophobicContact CE2-CD1 4.33Å; F229-I360 HydrophobicContact CE2-CG2 4.18Å; F229-I398 HydrophobicContact CB-CD1 4.25Å; F229-I398 HydrophobicContact CB-CG2 4.25Å; F229-I398 HydrophobicContact CD2-CD1 4.45Å; F229-F400 HydrophobicContact CB-CE2 3.77Å; F229-F400 HydrophobicContact CB-CZ 3.83Å; F229-F400 HydrophobicContact CD1-CZ 4.41Å; F229-F400 AromaticContact CD2-CE2 3.94Å; F229-F400 HydrophobicContact CD2-CE2 3.94Å; F229-F400 AromaticContact CG-CE2 3.83Å; F229-F400 HydrophobicContact CG-CE2 3.83Å; F229-F400 HydrophobicContact CG-CZ 4.03Å
230C98.2Very high96.3Very high7 Ų759.1 Ų59.15%0.04728%0.282CS..Hα-helixtrans-61.8-41.2180-69.90000112.3E226 A227 V233 H234 I259 Y263E226-C230 WeakPolarHBondContact O-CB 3.34Å; E226-C230 PolarHBondContact O-N 2.65Å; E226-C230 PolarHBondContact O-SG 3.42Å; E226-C230 VanDerWaalsContact O-SG 3.33Å; A227-C230 PolarHBondContact O-N 3.02Å; C230-V233 PolarHBondContact O-N 3.02Å; C230-H234 WeakPolarHBondContact O-CB 3.27Å; C230-H234 PolarHBondContact O-N 3.14Å; C230-I259 WeakPolarHBondContact SG-CG2 3.32Å; C230-Y263 HydrophobicContact CB-CD1 4.29Å; C230-Y263 HydrophobicContact CB-CD2 3.47Å; C230-Y263 VanDerWaalsContact CB-CD2 3.47Å; C230-Y263 HydrophobicContact CB-CE1 4.27Å; C230-Y263 HydrophobicContact CB-CE2 3.44Å; C230-Y263 VanDerWaalsContact CB-CE2 3.44Å; C230-Y263 HydrophobicContact CB-CG 3.9Å; C230-Y263 VanDerWaalsContact SG-CD2 3.54Å
231N98.1Very high96.7Very high82 Ų8256.3 Ų56.344%0.43927%0.268SS..Hα-helixtrans-64.1-44.2178-69.4-19.2000111.5A227 R228 F229 V233 H234 D235A227-N231 VanDerWaalsContact O-CB 3.31Å; A227-N231 WeakPolarHBondContact O-CB 3.47Å; A227-N231 PolarHBondContact O-N 2.81Å; A227-N231 PolarHBondContact O-ND2 3.02Å; R228-N231 PolarHBondContact O-N 2.88Å; F229-N231 VanDerWaalsContact C-N 3.33Å; F229-N231 PolarHBondContact O-N 3.29Å; N231-V233 VanDerWaalsContact C-N 3.34Å; N231-V233 PolarHBondContact O-N 2.8Å; N231-H234 PolarHBondContact O-N 3.21Å; N231-D235 WeakPolarHBondContact O-CB 3.37Å; N231-D235 VanDerWaalsContact O-CG 3.26Å; N231-D235 PolarHBondContact O-N 3.01Å
232T98.3Very high97Very high21 Ų2151.7 Ų51.713%0.12925%0.248CC..Hα-helixtrans-60.3-43.6176-58.30000111.5R228 F229 D235 I236 I360 D396R228-T232 PolarHBondContact O-N 3.46Å; R228-T232 PolarHBondContact O-OG1 3.44Å; F229-T232 PolarHBondContact O-N 3.44Å; T232-D235 PolarHBondContact O-N 2.66Å; T232-I236 HydrophobicContact CG2-CD1 4.11Å; T232-I236 WeakPolarHBondContact O-CD1 3.4Å; T232-I236 VanDerWaalsContact O-CG1 3.27Å; T232-I236 WeakPolarHBondContact O-CG1 3.33Å; T232-I236 PolarHBondContact O-N 3.1Å; T232-I236 VanDerWaalsContact O-N 3.17Å; T232-I360 HydrophobicContact CG2-CD1 3.67Å; T232-I360 HydrophobicContact CG2-CG1 3.94Å; T232-D396 HydrophobicContact CG2-CB 3.98Å
233V98.4Very high97.3Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-61-47.6175.5174.80000110.8F229 C230 N231 D235 I236 V237 I245 L260 W264 V331 I360F229-V233 HydrophobicContact CE1-CG2 4.48Å; F229-V233 HydrophobicContact CE2-CG2 4.15Å; F229-V233 HydrophobicContact CZ-CG2 4.14Å; F229-V233 WeakPolarHBondContact O-CG2 3.24Å; F229-V233 PolarHBondContact O-N 2.95Å; C230-V233 PolarHBondContact O-N 3.02Å; N231-V233 VanDerWaalsContact C-N 3.34Å; N231-V233 PolarHBondContact O-N 2.8Å; V233-D235 PolarHBondContact O-N 2.94Å; V233-I236 PolarHBondContact O-N 2.89Å; V233-V237 PolarHBondContact O-N 3.35Å; V233-I245 HydrophobicContact CG2-CD1 4.26Å; V233-L260 HydrophobicContact CG1-CD2 4.18Å; V233-L260 HydrophobicContact CG2-CD2 4.26Å; V233-W264 HydrophobicContact CG1-CH2 3.72Å; V233-W264 HydrophobicContact CG1-CZ3 4.02Å; V233-V331 HydrophobicContact CG1-CG1 4.36Å; V233-V331 HydrophobicContact CG1-CG2 3.69Å; V233-I360 HydrophobicContact CB-CD1 4.49Å; V233-I360 HydrophobicContact CG2-CD1 3.44Å; V233-I360 VanDerWaalsContact CG2-CD1 3.44Å
234H98.4Very high97.5Very high25 Ų2542.1 Ų42.112%0.11621%0.205CC..Hα-helixtrans-61.1-44.7179.9-164.9161.8000111.3C230 N231 I236 V237 N238 Y263 E269C230-H234 WeakPolarHBondContact O-CB 3.27Å; C230-H234 PolarHBondContact O-N 3.14Å; N231-H234 PolarHBondContact O-N 3.21Å; H234-I236 VanDerWaalsContact C-N 3.32Å; H234-I236 PolarHBondContact O-N 2.9Å; H234-V237 VanDerWaalsContact O-CG2 3.24Å; H234-V237 WeakPolarHBondContact O-CG2 3.31Å; H234-V237 PolarHBondContact O-N 3.45Å; H234-N238 VanDerWaalsContact CD2-CG 3.42Å; H234-N238 PolarHBondContact CD2-ND2 2.88Å; H234-N238 PolarHBondContact NE2-ND2 3.33Å; H234-N238 VanDerWaalsContact O-CB 3.32Å; H234-N238 WeakPolarHBondContact O-CB 3.43Å; H234-N238 PolarHBondContact O-N 2.85Å; H234-Y263 HydrophobicContact CB-CE1 4.31Å; H234-Y263 AromaticContact ND1-CE1 3.89Å; H234-Y263 AromaticContact ND1-CZ 3.86Å; H234-Y263 PolarHBondContact ND1-OH 2.79Å; H234-E269 IonicContact CE1-OE1 3.12Å
235D98.4Very high97.7Very high101 Ų10137.2 Ų37.254%0.5418%0.183SC..Hα-helixtrans-61.5-39.1178.8-73.7-20.1000112.4N231 T232 V233 R239N231-D235 WeakPolarHBondContact O-CB 3.37Å; N231-D235 VanDerWaalsContact O-CG 3.26Å; N231-D235 PolarHBondContact O-N 3.01Å; T232-D235 PolarHBondContact O-N 2.66Å; V233-D235 PolarHBondContact O-N 2.94Å; D235-R239 WeakPolarHBondContact O-CG 3.29Å; D235-R239 PolarHBondContact O-N 3.45Å
236I98.4Very high97.7Very high3 Ų336.3 Ų36.32%0.01518%0.18CC..Hα-helixtrans-65.1-45.1177.4-67161.4000110.9T232 V233 H234 R239 G241 R242 C243 I360T232-I236 HydrophobicContact CG2-CD1 4.11Å; T232-I236 WeakPolarHBondContact O-CD1 3.4Å; T232-I236 VanDerWaalsContact O-CG1 3.27Å; T232-I236 WeakPolarHBondContact O-CG1 3.33Å; T232-I236 PolarHBondContact O-N 3.1Å; T232-I236 VanDerWaalsContact O-N 3.17Å; V233-I236 PolarHBondContact O-N 2.89Å; H234-I236 VanDerWaalsContact C-N 3.32Å; H234-I236 PolarHBondContact O-N 2.9Å; I236-R239 VanDerWaalsContact O-CG 3.24Å; I236-R239 WeakPolarHBondContact O-CG 3.24Å; I236-R239 PolarHBondContact O-N 3.39Å; I236-G241 WeakPolarHBondContact O-CA 3.44Å; I236-G241 PolarHBondContact O-N 3.5Å; I236-R242 WeakPolarHBondContact CG2-O 3.31Å; I236-C243 HydrophobicContact CB-CB 4.24Å; I236-C243 HydrophobicContact CD1-CB 4.15Å; I236-C243 HydrophobicContact CG2-CB 3.8Å; I236-I360 HydrophobicContact CD1-CD1 4.28Å; I236-I360 HydrophobicContact CD1-CG1 4.29Å
237V97.7Very high97.4Very high4 Ų436 Ų362%0.02418%0.179CC..Hα-helixtrans-74.7-31.3-178.8-59.40000112.2V233 H234 R239 E240 L270 I273 P329 V331V233-V237 PolarHBondContact O-N 3.35Å; H234-V237 VanDerWaalsContact O-CG2 3.24Å; H234-V237 WeakPolarHBondContact O-CG2 3.31Å; H234-V237 PolarHBondContact O-N 3.45Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 3.19Å; V237-E240 WeakPolarHBondContact O-CA 3.33Å; V237-E240 PolarHBondContact O-N 3.28Å; V237-L270 HydrophobicContact CG2-CD2 4.08Å; V237-I273 HydrophobicContact CB-CD1 4.06Å; V237-I273 HydrophobicContact CB-CG2 4.26Å; V237-I273 HydrophobicContact CG1-CG2 4.08Å; V237-I273 HydrophobicContact CG2-CD1 4.01Å; V237-P329 HydrophobicContact CB-CB 4.07Å; V237-P329 HydrophobicContact CG1-CB 4.41Å; V237-V331 HydrophobicContact CG1-CG2 3.82Å
238N97.3Very high96.7Very high98 Ų9836.7 Ų36.752%0.52417%0.173SC..Hα-helixtrans-64.1-31.5174.9-88.6-14.9000113.2H234 E240H234-N238 VanDerWaalsContact CD2-CG 3.42Å; H234-N238 PolarHBondContact CD2-ND2 2.88Å; H234-N238 PolarHBondContact NE2-ND2 3.33Å; H234-N238 VanDerWaalsContact O-CB 3.32Å; H234-N238 WeakPolarHBondContact O-CB 3.43Å; H234-N238 PolarHBondContact O-N 2.85Å; N238-E240 PolarHBondContact O-N 3.03Å
239R97.3Very high95.8Very high99 Ų9932.3 Ų32.337%0.37416%0.158SC..THydrogen-bonded Turntrans-86.620172.569.9-173.2-174.2-167.21.5113.4D235 I236 V237 G241 R356 N357 S394D235-R239 WeakPolarHBondContact O-CG 3.29Å; D235-R239 PolarHBondContact O-N 3.45Å; I236-R239 VanDerWaalsContact O-CG 3.24Å; I236-R239 WeakPolarHBondContact O-CG 3.24Å; I236-R239 PolarHBondContact O-N 3.39Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 3.19Å; R239-G241 PolarHBondContact O-N 2.84Å; R239-R356 HydrophobicContact CG-CB 4.48Å; R239-R356 PolarHBondContact NE-O 3.39Å; R239-R356 PolarHBondContact NH2-O 3.23Å; R239-R356 WeakPolarHBondContact O-CD 3.41Å; R239-N357 PolarHBondContact NH2-O 3.08Å; R239-S394 PolarHBondContact NH2-OG 2.86Å
240E97Very high95Very high124 Ų12432.5 Ų32.558%0.57916%0.158SC*.THydrogen-bonded Turntrans57.429.2-179.3-55.6-176.3161.900113.9V237 N238 R242V237-E240 WeakPolarHBondContact O-CA 3.33Å; V237-E240 PolarHBondContact O-N 3.28Å; N238-E240 PolarHBondContact O-N 3.03Å; E240-R242 PolarHBondContact O-NH1 2.94Å
241G97.4Very high94.3Very high0 Ų032.1 Ų32.10%016%0.156CC..  trans-92.6168.6177.800000113.6I236 R239 P329 R356I236-G241 WeakPolarHBondContact O-CA 3.44Å; I236-G241 PolarHBondContact O-N 3.5Å; R239-G241 PolarHBondContact O-N 2.84Å; G241-P329 WeakPolarHBondContact O-CA 3.02Å; G241-P329 WeakPolarHBondContact O-CB 3.45Å; G241-R356 WeakPolarHBondContact CA-O 3.3Å
242R98.1Very high93.7Very high35 Ų3529.5 Ų29.513%0.13214%0.14CC..EExtended strand (participates in β ladder)trans-98.6132.7169.4-62.383.8175.1140.21.2109.6I236 E240 D326 G328 S330 W351 N357 G358I236-R242 WeakPolarHBondContact CG2-O 3.31Å; E240-R242 PolarHBondContact O-NH1 2.94Å; R242-D326 IonicContact CZ-OD1 3.29Å; R242-D326 IonicContact NE-OD1 3.94Å; R242-D326 PolarHBondContact NE-OD1 2.75Å; R242-D326 IonicContact NE-OD2 2.77Å; R242-D326 IonicContact NH2-OD1 2.81Å; R242-D326 PolarHBondContact NH2-OD1 3.48Å; R242-G328 VanDerWaalsContact CZ-O 3.32Å; R242-G328 PolarHBondContact NE-O 3.21Å; R242-G328 PolarHBondContact NH2-O 3.41Å; R242-S330 WeakPolarHBondContact CA-O 3.44Å; R242-W351 HydrophobicContact CB-CD2 3.75Å; R242-W351 HydrophobicContact CB-CE3 3.71Å; R242-W351 HydrophobicContact CB-CG 4.47Å; R242-W351 HydrophobicContact CB-CH2 3.73Å; R242-W351 HydrophobicContact CB-CZ2 3.77Å; R242-W351 HydrophobicContact CB-CZ3 3.7Å; R242-W351 HydrophobicContact CG-CD2 4.3Å; R242-W351 HydrophobicContact CG-CH2 4.22Å; R242-W351 HydrophobicContact CG-CZ2 3.82Å; R242-N357 VanDerWaalsContact CD-OD1 3.24Å; R242-N357 WeakPolarHBondContact CD-OD1 3.48Å; R242-N357 PolarHBondContact N-OD1 2.75Å; R242-N357 WeakPolarHBondContact O-CA 2.91Å; R242-G358 PolarHBondContact O-N 3.28Å
243C98.3Very high93.4Very high0 Ų028.6 Ų28.60%013%0.134CC..EExtended strand (participates in β ladder)trans-100.7111.9176.5-177.30000109.5I236 S330 V331 V332 G358I236-C243 HydrophobicContact CB-CB 4.24Å; I236-C243 HydrophobicContact CD1-CB 4.15Å; I236-C243 HydrophobicContact CG2-CB 3.8Å; C243-S330 PolarHBondContact N-O 2.6Å; C243-V331 HydrophobicContact CB-CB 4.45Å; C243-V331 HydrophobicContact CB-CG1 4.28Å; C243-V331 HydrophobicContact CB-CG2 4.13Å; C243-V331 WeakPolarHBondContact O-CA 3.15Å; C243-V332 PolarHBondContact O-N 2.77Å; C243-G358 WeakPolarHBondContact CA-O 3.21Å
244L98.2Very high93Very high0 Ų028.6 Ų28.60%013%0.134CC..EExtended strand (participates in β ladder)trans-91.9129.3172.4-176.561.4000110.2A334 M339 L347 F348 W351 G358 V359 I360L244-A334 HydrophobicContact CD1-CB 4.4Å; L244-M339 HydrophobicContact CD2-CE 4.38Å; L244-L347 HydrophobicContact CD1-CB 3.94Å; L244-L347 HydrophobicContact CD1-CD1 3.98Å; L244-L347 HydrophobicContact CD2-CB 4.38Å; L244-F348 HydrophobicContact CD2-CB 3.7Å; L244-F348 HydrophobicContact CD2-CD2 4.37Å; L244-W351 HydrophobicContact CB-CE3 3.84Å; L244-W351 HydrophobicContact CB-CZ3 3.73Å; L244-W351 HydrophobicContact CD1-CZ3 4.11Å; L244-W351 HydrophobicContact CG-CZ3 4.45Å; L244-G358 PolarHBondContact N-O 3.12Å; L244-V359 HydrophobicContact CB-CB 4.33Å; L244-V359 HydrophobicContact CB-CG2 4.2Å; L244-V359 HydrophobicContact CD2-CG2 4.19Å; L244-V359 HydrophobicContact CG-CG2 4.26Å; L244-V359 CarbonylContact O-C 3.55Å; L244-V359 VanDerWaalsContact O-CA 3.29Å; L244-V359 WeakPolarHBondContact O-CA 3.31Å; L244-I360 PolarHBondContact O-N 3.34Å
245I97.8Very high92.8Very high0 Ų027.7 Ų27.70%013%0.13CC..EExtended strand (participates in β ladder)trans-123.891.2174.8-53.3175.4000107.5F229 V233 V247 L256 L260 V331 V332 M333 A334 I360F229-I245 HydrophobicContact CE2-CD1 4.01Å; F229-I245 HydrophobicContact CZ-CD1 3.83Å; V233-I245 HydrophobicContact CG2-CD1 4.26Å; I245-V247 HydrophobicContact CG2-CG1 4.16Å; I245-V247 PolarHBondContact O-N 3.49Å; I245-L256 HydrophobicContact CG2-CD1 3.97Å; I245-L260 HydrophobicContact CD1-CD1 4.14Å; I245-V331 HydrophobicContact CD1-CG1 3.78Å; I245-V331 HydrophobicContact CG1-CG1 4.47Å; I245-V332 PolarHBondContact N-O 3.32Å; I245-M333 HydrophobicContact CB-CG 4.01Å; I245-M333 HydrophobicContact CD1-CG 4.22Å; I245-M333 HydrophobicContact CG2-CG 4.39Å; I245-M333 WeakPolarHBondContact O-CA 3.43Å; I245-A334 PolarHBondContact O-N 3.47Å; I245-I360 HydrophobicContact CG1-CB 4.41Å
246P94.9Very high92.7Very high3 Ų322.9 Ų22.92%0.01911%0.105CC..EExtended strand (participates in β ladder)trans-72.8117.9-179.330.4-33.7000109.7A334 M339 V359 I360 I361P246-A334 WeakPolarHBondContact CA-O 3.37Å; P246-M339 HydrophobicContact CB-CG 3.57Å; P246-M339 HydrophobicContact CB-SD 3.96Å; P246-M339 HydrophobicContact CG-CG 4Å; P246-M339 HydrophobicContact CG-SD 3.7Å; P246-V359 HydrophobicContact CG-CG2 4.06Å; P246-I360 WeakPolarHBondContact CD-O 3.38Å; P246-I361 HydrophobicContact CG-CD1 3.4Å
247V90.9Very high92.5Very high12 Ų1222.7 Ų22.77%0.07310%0.104CC..  trans-149.6151.2179.3-72.60000110.9I245 A253 L256 M333 A334 S335 A362I245-V247 HydrophobicContact CG2-CG1 4.16Å; I245-V247 PolarHBondContact O-N 3.49Å; V247-A253 HydrophobicContact CB-CB 4.23Å; V247-A253 HydrophobicContact CG2-CB 3.76Å; V247-L256 HydrophobicContact CG1-CD1 3.85Å; V247-M333 HydrophobicContact CG2-CB 4.25Å; V247-M333 HydrophobicContact CG2-CE 3.71Å; V247-A334 PolarHBondContact N-O 2.87Å; V247-A334 CarbonylContact O-C 3.52Å; V247-A334 VanDerWaalsContact O-O 3.05Å; V247-S335 WeakPolarHBondContact O-CA 3.21Å; V247-S335 WeakPolarHBondContact O-CB 3.36Å; V247-S335 PolarHBondContact O-N 3.2Å; V247-A362 HydrophobicContact CG1-CB 4.38Å
248F82.3Confident92.4Very high61 Ų6123.2 Ų23.227%0.26811%0.106SC..  trans-65.1150169.5-72.4-72.5000111.2L81 L250 A253 P336L81-F248 HydrophobicContact CD1-CE1 3.91Å; L81-F248 HydrophobicContact CD1-CZ 3.98Å; F248-L250 PolarHBondContact O-N 3.2Å; F248-L250 VanDerWaalsContact O-N 3.11Å; F248-A253 WeakPolarHBondContact O-CB 3.49Å; F248-P336 HydrophobicContact CD1-CB 4.23Å; F248-P336 HydrophobicContact CE1-CB 3.65Å; F248-P336 HydrophobicContact CZ-CB 4.16Å
249A79.1Confident92.3Very high4 Ų418.7 Ų18.73%0.0338%0.082CC..SBendtrans-60.3-23.4-178.500000113.5Q254 Y277 S279A249-Q254 PolarHBondContact O-NE2 2.94Å; A249-Y277 VanDerWaalsContact C-OH 3.24Å; A249-Y277 WeakPolarHBondContact CA-OH 3.38Å; A249-Y277 VanDerWaalsContact CB-OH 3.27Å; A249-Y277 WeakPolarHBondContact CB-OH 3.42Å; A249-Y277 PolarHBondContact O-OH 2.62Å; A249-S279 WeakPolarHBondContact CB-OG 3.45Å
250L81.1Confident92.4Very high3 Ų314 Ų142%0.0166%0.064CC..SBendtrans-130.7136-176.3-73152.5000109.2F79 I109 W112 L113 F248 C285 Y289F79-L250 HydrophobicContact CE2-CB 4.2Å; I109-L250 HydrophobicContact CG2-CB 3.94Å; I109-L250 HydrophobicContact CG2-CD1 3.71Å; I109-L250 HydrophobicContact CG2-CD2 4.02Å; I109-L250 HydrophobicContact CG2-CG 4.09Å; W112-L250 HydrophobicContact CB-CD1 4.28Å; L113-L250 HydrophobicContact CB-CD1 4.06Å; L113-L250 HydrophobicContact CD1-CB 4.23Å; F248-L250 PolarHBondContact O-N 3.2Å; F248-L250 VanDerWaalsContact O-N 3.11Å; L250-C285 HydrophobicContact CD1-CB 4.35Å; L250-C285 WeakPolarHBondContact CD1-SG 3.39Å; L250-C285 HydrophobicContact CD2-CB 3.45Å; L250-C285 VanDerWaalsContact CD2-CB 3.45Å; L250-C285 HydrophobicContact CG-CB 3.87Å; L250-C285 WeakPolarHBondContact CG-SG 3.48Å; L250-Y289 HydrophobicContact CD2-CD2 3.92Å; L250-Y289 HydrophobicContact CD2-CE2 3.55Å
251G82.6Confident92.3Very high0 Ų08.6 Ų8.60%04%0.039CC..SBendtrans118.5-122.6-178.900000111.2A253 Q254 Y289G251-A253 PolarHBondContact O-N 2.79Å; G251-Q254 PolarHBondContact O-N 3.19Å; G251-Q254 PolarHBondContact O-OE1 3.38Å; G251-Y289 PolarHBondContact N-OH 2.77Å
252R86.8Confident92.2Very high27 Ų2712.7 Ų12.710%0.1026%0.058CC..Hα-helixtrans-66.5-19.6-175.7-60.4-64.887-151-1.8114.3H165 D192 Q254 E255 L256 F400H165-R252 PolarHBondContact O-NE 2.93Å; H165-R252 PolarHBondContact O-NH2 3Å; D192-R252 IonicContact OD2-CZ 3.08Å; D192-R252 IonicContact OD2-NH1 3.34Å; D192-R252 PolarHBondContact OD2-NH1 3.41Å; D192-R252 IonicContact OD2-NH2 3.57Å; D192-R252 PolarHBondContact OD2-NH2 3Å; R252-Q254 PolarHBondContact O-N 2.83Å; R252-E255 WeakPolarHBondContact O-CB 3.41Å; R252-E255 PolarHBondContact O-N 2.8Å; R252-E255 VanDerWaalsContact O-N 3.12Å; R252-L256 PolarHBondContact O-N 2.9Å; R252-F400 WeakPolarHBondContact CD-O 3.41Å; R252-F400 WeakPolarHBondContact CG-O 3.35Å
253A90.3Very high92.2Very high1 Ų112.5 Ų12.51%0.0086%0.058CC..Hα-helixtrans-55.9-37.4174.700000112.2V247 F248 G251 E255 L256 L257 M333V247-A253 HydrophobicContact CB-CB 4.23Å; V247-A253 HydrophobicContact CG2-CB 3.76Å; F248-A253 WeakPolarHBondContact O-CB 3.49Å; G251-A253 PolarHBondContact O-N 2.79Å; A253-E255 VanDerWaalsContact C-N 3.31Å; A253-E255 PolarHBondContact O-N 3.45Å; A253-L256 PolarHBondContact O-N 3.3Å; A253-L257 WeakPolarHBondContact O-CB 3.16Å; A253-L257 WeakPolarHBondContact O-CG 3.23Å; A253-L257 PolarHBondContact O-N 2.88Å; A253-M333 HydrophobicContact CB-CE 4.04Å
254Q91.6Very high92.2Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-65.4-34.6179.7-7771.756.200112.9A249 G251 R252 L258 M286 Y289 F310A249-Q254 PolarHBondContact O-NE2 2.94Å; G251-Q254 PolarHBondContact O-N 3.19Å; G251-Q254 PolarHBondContact O-OE1 3.38Å; R252-Q254 PolarHBondContact O-N 2.83Å; Q254-L258 VanDerWaalsContact O-CG 3.32Å; Q254-L258 WeakPolarHBondContact O-CG 3.27Å; Q254-L258 PolarHBondContact O-N 3.28Å; Q254-M286 HydrophobicContact CG-CE 3.68Å; Q254-Y289 HydrophobicContact CB-CD1 4.24Å; Q254-Y289 HydrophobicContact CB-CE1 3.81Å; Q254-Y289 HydrophobicContact CG-CD1 3.77Å; Q254-Y289 HydrophobicContact CG-CD2 4.28Å; Q254-Y289 HydrophobicContact CG-CE1 3.59Å; Q254-Y289 HydrophobicContact CG-CE2 4.12Å; Q254-Y289 HydrophobicContact CG-CG 4.12Å; Q254-Y289 VanDerWaalsContact OE1-CZ 3.25Å; Q254-Y289 PolarHBondContact OE1-OH 2.93Å; Q254-F310 HydrophobicContact CB-CE1 4.46Å
255E93.6Very high92.1Very high6 Ų616.1 Ų16.13%0.0288%0.075CC..Hα-helixtrans-66.6-46.7174.3-172.166.4-176.900111.1D192 R193 H194 R252 A253 L257 L258 I259D192-E255 WeakPolarHBondContact CB-OE1 3.35Å; R193-E255 WeakPolarHBondContact CB-OE1 3.49Å; R193-E255 WeakPolarHBondContact CB-OE2 3.1Å; R193-E255 VanDerWaalsContact CG-OE1 3.27Å; R193-E255 WeakPolarHBondContact CG-OE1 3.38Å; R193-E255 PolarHBondContact N-OE1 2.87Å; R193-E255 PolarHBondContact N-OE2 3.4Å; H194-E255 IonicContact CE1-OE2 3.98Å; H194-E255 PolarHBondContact CE1-OE2 3.32Å; H194-E255 IonicContact CG-OE2 3.49Å; H194-E255 IonicContact ND1-OE2 3.08Å; H194-E255 PolarHBondContact ND1-OE2 3.25Å; R252-E255 WeakPolarHBondContact O-CB 3.41Å; R252-E255 PolarHBondContact O-N 2.8Å; R252-E255 VanDerWaalsContact O-N 3.12Å; A253-E255 VanDerWaalsContact C-N 3.31Å; A253-E255 PolarHBondContact O-N 3.45Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.48Å; E255-L258 WeakPolarHBondContact O-CB 3.34Å; E255-L258 PolarHBondContact O-N 2.91Å; E255-I259 HydrophobicContact CG-CD1 4.09Å; E255-I259 WeakPolarHBondContact O-CG1 3.45Å; E255-I259 PolarHBondContact O-N 3.26Å
256L95.5Very high92Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-63.7-38.2178.9-61.2179.8000112.1F229 I245 V247 R252 A253 I259 L260 M333 A362 F400F229-L256 HydrophobicContact CE1-CD2 4.15Å; F229-L256 HydrophobicContact CE2-CD2 4.12Å; F229-L256 HydrophobicContact CZ-CB 4.38Å; F229-L256 HydrophobicContact CZ-CD2 3.9Å; I245-L256 HydrophobicContact CG2-CD1 3.97Å; V247-L256 HydrophobicContact CG1-CD1 3.85Å; R252-L256 PolarHBondContact O-N 2.9Å; A253-L256 PolarHBondContact O-N 3.3Å; L256-I259 HydrophobicContact CD2-CD1 4.38Å; L256-I259 PolarHBondContact O-N 2.86Å; L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 WeakPolarHBondContact O-CG 3.42Å; L256-L260 PolarHBondContact O-N 3.47Å; L256-M333 HydrophobicContact CB-CE 3.67Å; L256-M333 HydrophobicContact CB-SD 4.48Å; L256-M333 HydrophobicContact CD1-CE 4.14Å; L256-A362 HydrophobicContact CD1-CB 3.76Å; L256-F400 HydrophobicContact CD2-CB 4.27Å; L256-F400 HydrophobicContact CD2-CD1 4Å; L256-F400 HydrophobicContact CD2-CD2 3.64Å; L256-F400 HydrophobicContact CD2-CE1 4.2Å; L256-F400 HydrophobicContact CD2-CE2 3.85Å; L256-F400 HydrophobicContact CD2-CG 3.72Å; L256-F400 HydrophobicContact CD2-CZ 4.11Å
257L95.2Very high92.2Very high0 Ų023.4 Ų23.40%011%0.112CC..Hα-helixtrans-61.6-42.1174.6-70.7168.7000111.7A253 E255 L260 D261 Y277 F312 I315 M333A253-L257 WeakPolarHBondContact O-CB 3.16Å; A253-L257 WeakPolarHBondContact O-CG 3.23Å; A253-L257 PolarHBondContact O-N 2.88Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.48Å; L257-L260 PolarHBondContact O-N 3.27Å; L257-D261 WeakPolarHBondContact O-CB 3.49Å; L257-D261 PolarHBondContact O-N 2.97Å; L257-Y277 HydrophobicContact CD1-CD1 4.18Å; L257-Y277 HydrophobicContact CD1-CD2 4.44Å; L257-Y277 HydrophobicContact CD1-CE1 4.39Å; L257-Y277 HydrophobicContact CD1-CG 4.23Å; L257-Y277 HydrophobicContact CD2-CG 4.25Å; L257-F312 HydrophobicContact CB-CE1 3.8Å; L257-F312 HydrophobicContact CB-CE2 3.95Å; L257-F312 HydrophobicContact CB-CZ 3.45Å; L257-F312 VanDerWaalsContact CB-CZ 3.45Å; L257-F312 HydrophobicContact CD1-CE2 3.9Å; L257-F312 HydrophobicContact CD1-CZ 4.11Å; L257-F312 HydrophobicContact CG-CE2 4.4Å; L257-F312 HydrophobicContact CG-CZ 4.35Å; L257-I315 HydrophobicContact CB-CD1 4.05Å; L257-I315 HydrophobicContact CD2-CD1 3.52Å; L257-I315 HydrophobicContact CD2-CG2 3.87Å; L257-I315 HydrophobicContact CG-CD1 4.41Å; L257-I315 WeakPolarHBondContact O-CD1 3.15Å; L257-M333 HydrophobicContact CD2-CE 4.2Å; L257-M333 HydrophobicContact CD2-SD 3.44Å; L257-M333 WeakPolarHBondContact CD2-SD 3.39Å; L257-M333 HydrophobicContact CG-CE 4Å; L257-M333 HydrophobicContact CG-SD 3.86Å
258L94.9Very high92.5Very high15 Ų1527.2 Ų27.28%0.07914%0.137CC..Hα-helixtrans-64.2-41.1175.8-71.2167.8000112R193 H194 Q254 E255 E262 P309 F310 F312R193-L258 HydrophobicContact CB-CD1 4.15Å; H194-L258 HydrophobicContact CB-CD1 3.93Å; Q254-L258 VanDerWaalsContact O-CG 3.32Å; Q254-L258 WeakPolarHBondContact O-CG 3.27Å; Q254-L258 PolarHBondContact O-N 3.28Å; E255-L258 WeakPolarHBondContact O-CB 3.34Å; E255-L258 PolarHBondContact O-N 2.91Å; L258-E262 WeakPolarHBondContact O-CB 3.4Å; L258-E262 PolarHBondContact O-N 3.24Å; L258-E262 VanDerWaalsContact O-N 3.16Å; L258-P309 HydrophobicContact CD2-CB 3.79Å; L258-P309 WeakPolarHBondContact CD2-O 3.45Å; L258-F310 HydrophobicContact CD1-CE1 4.04Å; L258-F310 HydrophobicContact CD1-CZ 4.42Å; L258-F310 HydrophobicContact CG-CE1 4.46Å; L258-F312 HydrophobicContact CD2-CE1 3.99Å; L258-F312 HydrophobicContact CG-CE1 4.3Å
259I96.6Very high93.1Very high2 Ų229.6 Ų29.61%0.0115%0.149CC..Hα-helixtrans-64-48.1177.2-65.9160.7000110.4E226 F229 C230 E255 L256 Y263 F400E226-I259 HydrophobicContact CG-CD1 3.87Å; E226-I259 HydrophobicContact CG-CG1 4.2Å; F229-I259 HydrophobicContact CD1-CG2 3.88Å; F229-I259 HydrophobicContact CE1-CG2 4.1Å; C230-I259 WeakPolarHBondContact SG-CG2 3.32Å; E255-I259 HydrophobicContact CG-CD1 4.09Å; E255-I259 WeakPolarHBondContact O-CG1 3.45Å; E255-I259 PolarHBondContact O-N 3.26Å; L256-I259 HydrophobicContact CD2-CD1 4.38Å; L256-I259 PolarHBondContact O-N 2.86Å; I259-Y263 WeakPolarHBondContact O-CB 3.31Å; I259-Y263 PolarHBondContact O-N 2.89Å; I259-F400 HydrophobicContact CD1-CD1 4.37Å; I259-F400 HydrophobicContact CD1-CE1 3.61Å; I259-F400 HydrophobicContact CD1-CZ 4.1Å
260L97.5Very high94Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-66.6-43.5-178.6-71.5174.6000112.5F229 V233 I245 L256 L257 E262 Y263 W264 I275 V331 M333F229-L260 HydrophobicContact CE1-CD1 4.49Å; F229-L260 HydrophobicContact CE1-CD2 3.72Å; F229-L260 HydrophobicContact CE1-CG 3.87Å; F229-L260 HydrophobicContact CZ-CD1 4.31Å; F229-L260 HydrophobicContact CZ-CD2 4.1Å; F229-L260 HydrophobicContact CZ-CG 4.17Å; V233-L260 HydrophobicContact CG1-CD2 4.18Å; V233-L260 HydrophobicContact CG2-CD2 4.26Å; I245-L260 HydrophobicContact CD1-CD1 4.14Å; L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 WeakPolarHBondContact O-CG 3.42Å; L256-L260 PolarHBondContact O-N 3.47Å; L257-L260 PolarHBondContact O-N 3.27Å; L260-E262 PolarHBondContact O-N 3.47Å; L260-Y263 PolarHBondContact O-N 2.79Å; L260-W264 HydrophobicContact CD2-CE3 4.42Å; L260-W264 HydrophobicContact CD2-CZ3 3.82Å; L260-W264 WeakPolarHBondContact O-CB 3.23Å; L260-W264 PolarHBondContact O-N 3.01Å; L260-I275 HydrophobicContact CB-CD1 4.01Å; L260-I275 HydrophobicContact CD1-CG2 4.26Å; L260-V331 HydrophobicContact CD1-CG1 4.33Å; L260-M333 HydrophobicContact CD1-SD 3.87Å
261D96.2Very high94.7Very high11 Ų1133.6 Ų33.66%0.05917%0.167CC..Hα-helixtrans-65.2-39.7179.3-166.371.3000111.2L257 Q265 F312 K313 H314 I315L257-D261 WeakPolarHBondContact O-CB 3.49Å; L257-D261 PolarHBondContact O-N 2.97Å; D261-Q265 WeakPolarHBondContact O-CB 3.12Å; D261-Q265 WeakPolarHBondContact O-CG 3.45Å; D261-Q265 PolarHBondContact O-N 3.34Å; D261-Q265 PolarHBondContact OD2-NE2 3.16Å; D261-F312 HydrophobicContact CB-CD1 3.78Å; D261-K313 PolarHBondContact OD1-N 2.77Å; D261-H314 IonicContact OD1-CD2 3.27Å; D261-H314 PolarHBondContact OD1-N 3.42Å; D261-I315 HydrophobicContact CB-CD1 4.01Å; D261-I315 HydrophobicContact CB-CG1 4.36Å
262E95.4Very high95.3Very high86 Ų8641.1 Ų41.140%0.40221%0.207SC..Hα-helixtrans-65.5-42173.1-175.9177.6103.600111.9R193 L258 L260 Q265 N266R193-E262 IonicContact CZ-OE1 3.49Å; R193-E262 IonicContact CZ-OE2 3.33Å; R193-E262 IonicContact NH1-OE1 2.73Å; R193-E262 PolarHBondContact NH1-OE1 2.99Å; R193-E262 VanDerWaalsContact NH1-OE1 3.14Å; R193-E262 IonicContact NH1-OE2 3.51Å; R193-E262 PolarHBondContact NH1-OE2 2.95Å; R193-E262 IonicContact NH2-OE1 2.75Å; R193-E262 PolarHBondContact NH2-OE1 2.79Å; R193-E262 IonicContact NH2-OE2 3.28Å; L258-E262 WeakPolarHBondContact O-CB 3.4Å; L258-E262 PolarHBondContact O-N 3.24Å; L258-E262 VanDerWaalsContact O-N 3.16Å; L260-E262 PolarHBondContact O-N 3.47Å; E262-Q265 PolarHBondContact O-N 3.22Å; E262-N266 PolarHBondContact O-N 2.99Å; E262-N266 PolarHBondContact O-ND2 2.87Å
263Y97.7Very high95.7Very high31 Ų3141 Ų4112%0.12221%0.209CC..Hα-helixtrans-63.1-45.6178-168.2-98.6000111.2C230 H234 I259 L260 Q265 N266 H267 L270C230-Y263 HydrophobicContact CB-CD1 4.29Å; C230-Y263 HydrophobicContact CB-CD2 3.47Å; C230-Y263 VanDerWaalsContact CB-CD2 3.47Å; C230-Y263 HydrophobicContact CB-CE1 4.27Å; C230-Y263 HydrophobicContact CB-CE2 3.44Å; C230-Y263 VanDerWaalsContact CB-CE2 3.44Å; C230-Y263 HydrophobicContact CB-CG 3.9Å; C230-Y263 VanDerWaalsContact SG-CD2 3.54Å; H234-Y263 HydrophobicContact CB-CE1 4.31Å; H234-Y263 AromaticContact ND1-CE1 3.89Å; H234-Y263 AromaticContact ND1-CZ 3.86Å; H234-Y263 PolarHBondContact ND1-OH 2.79Å; I259-Y263 WeakPolarHBondContact O-CB 3.31Å; I259-Y263 PolarHBondContact O-N 2.89Å; L260-Y263 PolarHBondContact O-N 2.79Å; Y263-Q265 PolarHBondContact O-N 2.82Å; Y263-N266 PolarHBondContact O-N 2.84Å; Y263-N266 VanDerWaalsContact O-N 3.15Å; Y263-H267 AromaticContact CD1-ND1 3.83Å; Y263-H267 AromaticContact CD2-CE1 3.57Å; Y263-H267 AromaticContact CD2-ND1 3.83Å; Y263-H267 AromaticContact CE1-CE1 3.96Å; Y263-H267 AromaticContact CE1-ND1 3.78Å; Y263-H267 AromaticContact CE2-CE1 3.21Å; Y263-H267 WeakPolarHBondContact CE2-CE1 3.34Å; Y263-H267 AromaticContact CE2-ND1 3.77Å; Y263-H267 AromaticContact CE2-NE2 3.83Å; Y263-H267 AromaticContact CG-ND1 3.87Å; Y263-H267 AromaticContact CZ-CE1 3.44Å; Y263-H267 VanDerWaalsContact CZ-CE1 3.44Å; Y263-H267 AromaticContact CZ-ND1 3.75Å; Y263-H267 AromaticContact CZ-NE2 3.74Å; Y263-H267 PolarHBondContact O-N 3.44Å; Y263-H267 PolarHBondContact O-ND1 2.85Å; Y263-L270 HydrophobicContact CD1-CD1 4.06Å; Y263-L270 HydrophobicContact CE1-CD1 3.71Å
264W97.5Very high96Very high1 Ų142.9 Ų42.90%0.00422%0.22CC..Hα-helixtrans-62.7-41.6176.6-103.6-113.6000112.4V233 L260 N266 H267 L270 H271 I273 I275 H314 V331V233-W264 HydrophobicContact CG1-CH2 3.72Å; V233-W264 HydrophobicContact CG1-CZ3 4.02Å; L260-W264 HydrophobicContact CD2-CE3 4.42Å; L260-W264 HydrophobicContact CD2-CZ3 3.82Å; L260-W264 WeakPolarHBondContact O-CB 3.23Å; L260-W264 PolarHBondContact O-N 3.01Å; W264-N266 PolarHBondContact O-N 2.78Å; W264-H267 PolarHBondContact O-N 3.23Å; W264-H267 VanDerWaalsContact O-N 3.12Å; W264-L270 HydrophobicContact CD2-CB 4.28Å; W264-L270 HydrophobicContact CD2-CD1 4.37Å; W264-L270 HydrophobicContact CE3-CD1 4.34Å; W264-L270 HydrophobicContact CG-CB 4.44Å; W264-L270 HydrophobicContact CH2-CD1 4.33Å; W264-L270 HydrophobicContact CZ2-CB 4.3Å; W264-L270 HydrophobicContact CZ2-CD1 4.36Å; W264-L270 HydrophobicContact CZ3-CD1 4.32Å; W264-L270 PolarHBondContact NE1-O 3.08Å; W264-H271 PolarHBondContact O-CE1 3.04Å; W264-H271 PolarHBondContact O-ND1 2.84Å; W264-I273 HydrophobicContact CZ2-CG2 4.41Å; W264-I273 PolarHBondContact NE1-O 3.16Å; W264-I275 HydrophobicContact CB-CD1 4.42Å; W264-I275 HydrophobicContact CD2-CD1 3.3Å; W264-I275 HydrophobicContact CD2-CG1 4.04Å; W264-I275 VanDerWaalsContact CE2-CD1 3.5Å; W264-I275 HydrophobicContact CE3-CD1 3.55Å; W264-I275 HydrophobicContact CE3-CG1 4.42Å; W264-I275 HydrophobicContact CG-CD1 3.71Å; W264-I275 HydrophobicContact CH2-CD1 4.14Å; W264-I275 HydrophobicContact CH2-CG1 4.16Å; W264-I275 HydrophobicContact CZ2-CD1 3.93Å; W264-I275 HydrophobicContact CZ2-CG1 3.74Å; W264-I275 HydrophobicContact CZ3-CD1 3.97Å; W264-I275 HydrophobicContact CZ3-CG1 4.47Å; W264-H314 HydrophobicContact CB-CB 3.78Å; W264-H314 HydrophobicContact CG-CB 4.11Å; W264-V331 HydrophobicContact CH2-CG2 3.79Å; W264-V331 HydrophobicContact CZ2-CG2 4.08Å
265Q95.8Very high96.2Very high76 Ų7642.9 Ų42.936%0.35522%0.22SC..Hα-helixtrans-56.6-33.5175.6-76.6174.223.600112.4D261 E262 Y263 H314D261-Q265 WeakPolarHBondContact O-CB 3.12Å; D261-Q265 WeakPolarHBondContact O-CG 3.45Å; D261-Q265 PolarHBondContact O-N 3.34Å; D261-Q265 PolarHBondContact OD2-NE2 3.16Å; E262-Q265 PolarHBondContact O-N 3.22Å; Y263-Q265 PolarHBondContact O-N 2.82Å; Q265-H314 VanDerWaalsContact CG-NE2 3.28Å; Q265-H314 WeakPolarHBondContact CG-NE2 3.46Å
266N97.3Very high96.3Very high110 Ų11045.1 Ų45.159%0.58823%0.229SC*.Hα-helixtrans-87.6-8.9-178.1-67.7-36.6000114.2E262 Y263 W264E262-N266 PolarHBondContact O-N 2.99Å; E262-N266 PolarHBondContact O-ND2 2.87Å; Y263-N266 PolarHBondContact O-N 2.84Å; Y263-N266 VanDerWaalsContact O-N 3.15Å; W264-N266 PolarHBondContact O-N 2.78Å
267H97.8Very high96.1Very high46 Ų4645.3 Ų45.321%0.21323%0.23CC..  trans-126.885-175.4-63.884.9000110.9Y263 W264 E269 L270 H271Y263-H267 AromaticContact CD1-ND1 3.83Å; Y263-H267 AromaticContact CD2-CE1 3.57Å; Y263-H267 AromaticContact CD2-ND1 3.83Å; Y263-H267 AromaticContact CE1-CE1 3.96Å; Y263-H267 AromaticContact CE1-ND1 3.78Å; Y263-H267 AromaticContact CE2-CE1 3.21Å; Y263-H267 WeakPolarHBondContact CE2-CE1 3.34Å; Y263-H267 AromaticContact CE2-ND1 3.77Å; Y263-H267 AromaticContact CE2-NE2 3.83Å; Y263-H267 AromaticContact CG-ND1 3.87Å; Y263-H267 AromaticContact CZ-CE1 3.44Å; Y263-H267 VanDerWaalsContact CZ-CE1 3.44Å; Y263-H267 AromaticContact CZ-ND1 3.75Å; Y263-H267 AromaticContact CZ-NE2 3.74Å; Y263-H267 PolarHBondContact O-N 3.44Å; Y263-H267 PolarHBondContact O-ND1 2.85Å; W264-H267 PolarHBondContact O-N 3.23Å; W264-H267 VanDerWaalsContact O-N 3.12Å; H267-E269 VanDerWaalsContact C-OE2 3.24Å; H267-E269 WeakPolarHBondContact CA-OE2 3.46Å; H267-E269 IonicContact CD2-OE1 3.57Å; H267-E269 PolarHBondContact CD2-OE1 3.34Å; H267-E269 VanDerWaalsContact CD2-OE1 3.31Å; H267-E269 IonicContact CG-OE1 3.31Å; H267-E269 PolarHBondContact O-N 3Å; H267-E269 VanDerWaalsContact O-N 3.15Å; H267-L270 HydrophobicContact CB-CD1 3.89Å; H267-L270 HydrophobicContact CB-CG 4.08Å; H267-L270 PolarHBondContact O-N 3.45Å; H267-H271 PolarHBondContact O-ND1 2.84Å; H267-H271 VanDerWaalsContact O-ND1 3.15Å
268P97.2Very high95.8Very high92 Ų9245.3 Ų45.360%0.59723%0.23SC*.G310 helixtrans-52.5-31.5179.4-29.137.6000115L270 H271P268-L270 PolarHBondContact O-N 3Å; P268-H271 VanDerWaalsContact CA-CE1 3.49Å; P268-H271 WeakPolarHBondContact CA-CE1 3.37Å; P268-H271 WeakPolarHBondContact CA-ND1 3.45Å; P268-H271 WeakPolarHBondContact O-CB 3.33Å; P268-H271 PolarHBondContact O-N 2.98Å; P268-H271 PolarHBondContact O-ND1 2.91Å
269E96.5Very high95.1Very high111 Ų11145 Ų4552%0.51923%0.229SC..G310 helixtrans-65.4-19.7178.569.6-81.5-165.100114H234 H267H234-E269 IonicContact CE1-OE1 3.12Å; H267-E269 VanDerWaalsContact C-OE2 3.24Å; H267-E269 WeakPolarHBondContact CA-OE2 3.46Å; H267-E269 IonicContact CD2-OE1 3.57Å; H267-E269 PolarHBondContact CD2-OE1 3.34Å; H267-E269 VanDerWaalsContact CD2-OE1 3.31Å; H267-E269 IonicContact CG-OE1 3.31Å; H267-E269 PolarHBondContact O-N 3Å; H267-E269 VanDerWaalsContact O-N 3.15Å
270L97Very high94.1Very high1 Ų148.6 Ų48.61%0.00525%0.254CS..G310 helixtrans-93.3-2.7178.5-59.7-179.9000113.2V237 Y263 W264 H267 P268 D272 I273V237-L270 HydrophobicContact CG2-CD2 4.08Å; Y263-L270 HydrophobicContact CD1-CD1 4.06Å; Y263-L270 HydrophobicContact CE1-CD1 3.71Å; W264-L270 HydrophobicContact CD2-CB 4.28Å; W264-L270 HydrophobicContact CD2-CD1 4.37Å; W264-L270 HydrophobicContact CE3-CD1 4.34Å; W264-L270 HydrophobicContact CG-CB 4.44Å; W264-L270 HydrophobicContact CH2-CD1 4.33Å; W264-L270 HydrophobicContact CZ2-CB 4.3Å; W264-L270 HydrophobicContact CZ2-CD1 4.36Å; W264-L270 HydrophobicContact CZ3-CD1 4.32Å; W264-L270 PolarHBondContact NE1-O 3.08Å; H267-L270 HydrophobicContact CB-CD1 3.89Å; H267-L270 HydrophobicContact CB-CG 4.08Å; H267-L270 PolarHBondContact O-N 3.45Å; P268-L270 PolarHBondContact O-N 3Å; L270-D272 PolarHBondContact O-N 2.83Å; L270-I273 HydrophobicContact CD2-CD1 3.9Å; L270-I273 WeakPolarHBondContact O-CB 3.27Å; L270-I273 PolarHBondContact O-N 2.76Å
271H95.7Very high93.1Very high90 Ų9048.8 Ų48.842%0.41726%0.255SS..THydrogen-bonded Turntrans-64.8-24.3-172.4-76.834000114.3W264 H267 P268 I273 H314W264-H271 PolarHBondContact O-CE1 3.04Å; W264-H271 PolarHBondContact O-ND1 2.84Å; H267-H271 PolarHBondContact O-ND1 2.84Å; H267-H271 VanDerWaalsContact O-ND1 3.15Å; P268-H271 VanDerWaalsContact CA-CE1 3.49Å; P268-H271 WeakPolarHBondContact CA-CE1 3.37Å; P268-H271 WeakPolarHBondContact CA-ND1 3.45Å; P268-H271 WeakPolarHBondContact O-CB 3.33Å; P268-H271 PolarHBondContact O-N 2.98Å; P268-H271 PolarHBondContact O-ND1 2.91Å; H271-I273 VanDerWaalsContact C-N 3.28Å; H271-H314 AromaticContact CD2-CE1 3.92Å; H271-H314 AromaticContact CE1-CE1 3.8Å; H271-H314 AromaticContact NE2-CE1 3.55Å
272D94.6Very high92.1Very high158 Ų15848.3 Ų48.385%0.84525%0.253SS*.THydrogen-bonded Turntrans-80.6-11.6176.1-64.4-28.4000112.5L270L270-D272 PolarHBondContact O-N 2.83Å
273I96.7Very high91.4Very high25 Ų2552.4 Ų52.413%0.12827%0.269CS..SBendtrans-97.8115.5-176.9-57.4172.4000108.8V237 W264 L270 H271 P329V237-I273 HydrophobicContact CB-CD1 4.06Å; V237-I273 HydrophobicContact CB-CG2 4.26Å; V237-I273 HydrophobicContact CG1-CG2 4.08Å; V237-I273 HydrophobicContact CG2-CD1 4.01Å; W264-I273 HydrophobicContact CZ2-CG2 4.41Å; W264-I273 PolarHBondContact NE1-O 3.16Å; L270-I273 HydrophobicContact CD2-CD1 3.9Å; L270-I273 WeakPolarHBondContact O-CB 3.27Å; L270-I273 PolarHBondContact O-N 2.76Å; H271-I273 VanDerWaalsContact C-N 3.28Å; I273-P329 HydrophobicContact CD1-CG 4.23Å; I273-P329 HydrophobicContact CG1-CG 4.12Å; I273-P329 HydrophobicContact CG2-CB 4.34Å; I273-P329 HydrophobicContact CG2-CG 4.46Å
274P95.7Very high90.7Very high40 Ų4055.9 Ų55.926%0.2629%0.285SS..  trans-77.7141.6-174.631.2-35.9000112.5Y276 V331P274-Y276 HydrophobicContact CB-CD2 4.25Å; P274-Y276 HydrophobicContact CB-CE1 4.35Å; P274-Y276 HydrophobicContact CB-CE2 3.51Å; P274-Y276 HydrophobicContact CG-CD2 4.38Å; P274-Y276 HydrophobicContact CG-CE2 3.43Å; P274-Y276 VanDerWaalsContact CG-CE2 3.43Å; P274-V331 PolarHBondContact O-N 3.35Å
275I96.8Very high89.7Confident0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-103.8123.2164.1-54.6163.1000108.5L260 W264 I315 S316 V331L260-I275 HydrophobicContact CB-CD1 4.01Å; L260-I275 HydrophobicContact CD1-CG2 4.26Å; W264-I275 HydrophobicContact CB-CD1 4.42Å; W264-I275 HydrophobicContact CD2-CD1 3.3Å; W264-I275 HydrophobicContact CD2-CG1 4.04Å; W264-I275 VanDerWaalsContact CE2-CD1 3.5Å; W264-I275 HydrophobicContact CE3-CD1 3.55Å; W264-I275 HydrophobicContact CE3-CG1 4.42Å; W264-I275 HydrophobicContact CG-CD1 3.71Å; W264-I275 HydrophobicContact CH2-CD1 4.14Å; W264-I275 HydrophobicContact CH2-CG1 4.16Å; W264-I275 HydrophobicContact CZ2-CD1 3.93Å; W264-I275 HydrophobicContact CZ2-CG1 3.74Å; W264-I275 HydrophobicContact CZ3-CD1 3.97Å; W264-I275 HydrophobicContact CZ3-CG1 4.47Å; I275-I315 HydrophobicContact CB-CG1 4.12Å; I275-I315 HydrophobicContact CB-CG2 4.46Å; I275-I315 HydrophobicContact CD1-CG1 4.18Å; I275-I315 HydrophobicContact CG2-CD1 4.38Å; I275-I315 HydrophobicContact CG2-CG1 4.06Å; I275-I315 HydrophobicContact CG2-CG2 4.07Å; I275-I315 WeakPolarHBondContact O-CA 3.28Å; I275-S316 PolarHBondContact O-N 3.06Å; I275-V331 CarbonylContact C-O 3.57Å; I275-V331 WeakPolarHBondContact CA-O 3.48Å; I275-V331 HydrophobicContact CB-CB 4.5Å; I275-V331 HydrophobicContact CG1-CB 4.18Å; I275-V331 HydrophobicContact CG1-CG2 4.49Å; I275-V331 HydrophobicContact CG2-CB 4.27Å; I275-V331 HydrophobicContact CG2-CG1 4.33Å
276Y94.8Very high89.1Confident53 Ų5352.9 Ų52.921%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-108128.3176.2-61.1-76.3000111.4P274 S316 L318 F324 V331 V332 M333P274-Y276 HydrophobicContact CB-CD2 4.25Å; P274-Y276 HydrophobicContact CB-CE1 4.35Å; P274-Y276 HydrophobicContact CB-CE2 3.51Å; P274-Y276 HydrophobicContact CG-CD2 4.38Å; P274-Y276 HydrophobicContact CG-CE2 3.43Å; P274-Y276 VanDerWaalsContact CG-CE2 3.43Å; Y276-S316 CarbonylContact C-O 3.55Å; Y276-S316 VanDerWaalsContact CA-O 3.32Å; Y276-S316 WeakPolarHBondContact CA-O 3.43Å; Y276-L318 HydrophobicContact CD1-CB 4.21Å; Y276-L318 HydrophobicContact CG-CB 4.47Å; Y276-F324 HydrophobicContact CD2-CD2 4.13Å; Y276-F324 AromaticContact CD2-CE2 3.68Å; Y276-F324 HydrophobicContact CD2-CE2 3.68Å; Y276-F324 AromaticContact CE2-CD2 3.98Å; Y276-F324 HydrophobicContact CE2-CD2 3.98Å; Y276-F324 AromaticContact CE2-CE2 3.53Å; Y276-F324 HydrophobicContact CE2-CE2 3.53Å; Y276-V331 PolarHBondContact N-O 2.73Å; Y276-V332 HydrophobicContact CD2-CG2 4.04Å; Y276-V332 WeakPolarHBondContact O-CA 3.18Å; Y276-M333 PolarHBondContact O-N 3.4Å
277Y92.3Very high88.5Confident4 Ų450 Ų502%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-96.899.4164.5178.9-139.5000109.2A249 L257 S279 A282 M286 S316 N317 L318 M333A249-Y277 VanDerWaalsContact C-OH 3.24Å; A249-Y277 WeakPolarHBondContact CA-OH 3.38Å; A249-Y277 VanDerWaalsContact CB-OH 3.27Å; A249-Y277 WeakPolarHBondContact CB-OH 3.42Å; A249-Y277 PolarHBondContact O-OH 2.62Å; L257-Y277 HydrophobicContact CD1-CD1 4.18Å; L257-Y277 HydrophobicContact CD1-CD2 4.44Å; L257-Y277 HydrophobicContact CD1-CE1 4.39Å; L257-Y277 HydrophobicContact CD1-CG 4.23Å; L257-Y277 HydrophobicContact CD2-CG 4.25Å; Y277-S279 PolarHBondContact O-N 2.89Å; Y277-A282 HydrophobicContact CD1-CB 3.46Å; Y277-A282 VanDerWaalsContact CD1-CB 3.46Å; Y277-A282 HydrophobicContact CE1-CB 3.22Å; Y277-A282 HydrophobicContact CG-CB 4.39Å; Y277-M286 HydrophobicContact CE1-CE 4.37Å; Y277-S316 PolarHBondContact N-O 2.93Å; Y277-N317 WeakPolarHBondContact O-CA 3.43Å; Y277-L318 PolarHBondContact O-N 2.95Å; Y277-M333 HydrophobicContact CD2-CB 4.23Å
278A87.4Confident88Confident0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-93.988.2-170.300000111.3L318 V332 M333 A334 L343A278-L318 WeakPolarHBondContact CA-O 3.3Å; A278-L318 HydrophobicContact CB-CB 4Å; A278-L318 HydrophobicContact CB-CD2 3.94Å; A278-L318 HydrophobicContact CB-CG 4.34Å; A278-V332 HydrophobicContact CB-CG1 3.8Å; A278-M333 WeakPolarHBondContact CA-O 3.31Å; A278-M333 WeakPolarHBondContact CB-O 3.29Å; A278-M333 PolarHBondContact N-O 3.03Å; A278-A334 HydrophobicContact CB-CB 4.17Å; A278-L343 HydrophobicContact CB-CD2 3.59Å
279S81.1Confident87.4Confident8 Ų844.2 Ų44.26%0.05623%0.229CC..  trans-151.1133.2172.2174.20000110.5A249 Y277 L281 A282 L318A249-S279 WeakPolarHBondContact CB-OG 3.45Å; Y277-S279 PolarHBondContact O-N 2.89Å; S279-L281 PolarHBondContact O-N 3.02Å; S279-L281 VanDerWaalsContact O-N 3.12Å; S279-L281 PolarHBondContact OG-N 3.02Å; S279-A282 VanDerWaalsContact O-CB 3.23Å; S279-A282 WeakPolarHBondContact O-CB 3.31Å; S279-A282 PolarHBondContact O-N 2.88Å; S279-A282 VanDerWaalsContact O-N 3.1Å; S279-L318 PolarHBondContact N-O 3.06Å; S279-L318 VanDerWaalsContact N-O 3.17Å
280S74.7Confident86.9Confident78 Ų7842.4 Ų42.455%0.54522%0.22SC..THydrogen-bonded Turntrans-60.2-21.6173.573.20000112.7
281L76.3Confident86.6Confident4 Ų447.1 Ų47.12%0.02125%0.249CC..THydrogen-bonded Turntrans-100.6-5.4-179.6-66.4170.1000113.6W112 D116 S279 K283 K284 C285W112-L281 HydrophobicContact CE3-CD2 3.93Å; W112-L281 WeakPolarHBondContact O-CD1 3.22Å; D116-L281 HydrophobicContact CB-CD1 3.44Å; D116-L281 VanDerWaalsContact CB-CD1 3.44Å; S279-L281 PolarHBondContact O-N 3.02Å; S279-L281 VanDerWaalsContact O-N 3.12Å; S279-L281 PolarHBondContact OG-N 3.02Å; L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.04Å; L281-K283 VanDerWaalsContact O-N 3.08Å; L281-K284 HydrophobicContact CD2-CD 4.25Å; L281-K284 WeakPolarHBondContact O-CA 3.21Å; L281-K284 PolarHBondContact O-N 2.92Å; L281-C285 PolarHBondContact O-N 2.96Å; L281-C285 PolarHBondContact O-SG 2.86Å
282A75.9Confident86.4Confident1 Ų145.4 Ų45.41%0.00824%0.239CC..Hα-helixtrans-42.7-52.3-175.300000113.6Y277 S279 K284 C285 M286Y277-A282 HydrophobicContact CD1-CB 3.46Å; Y277-A282 VanDerWaalsContact CD1-CB 3.46Å; Y277-A282 HydrophobicContact CE1-CB 3.22Å; Y277-A282 HydrophobicContact CG-CB 4.39Å; S279-A282 VanDerWaalsContact O-CB 3.23Å; S279-A282 WeakPolarHBondContact O-CB 3.31Å; S279-A282 PolarHBondContact O-N 2.88Å; S279-A282 VanDerWaalsContact O-N 3.1Å; A282-K284 PolarHBondContact O-N 2.88Å; A282-C285 WeakPolarHBondContact O-CB 3.42Å; A282-C285 PolarHBondContact O-N 3.05Å; A282-M286 WeakPolarHBondContact O-CG 3.28Å; A282-M286 PolarHBondContact O-N 2.97Å
283K80.1Confident86.2Confident172 Ų17238.6 Ų38.675%0.74820%0.204SC*.Hα-helixtrans-62.9-39.5-179.3-171.1177.5-178.7178.30113.1L281 A287L281-K283 VanDerWaalsContact C-N 3.29Å; L281-K283 PolarHBondContact O-N 3.04Å; L281-K283 VanDerWaalsContact O-N 3.08Å; K283-A287 PolarHBondContact O-N 2.91Å
284K83.1Confident85.7Confident103 Ų10342.9 Ų42.945%0.44823%0.227SC..Hα-helixtrans-72.3-43.2178.9-67.6-175.6176.6-179.10110.7W112 L281 A282 M286 A287 V288W112-K284 HydrophobicContact CD2-CB 4.44Å; W112-K284 HydrophobicContact CD2-CD 4.14Å; W112-K284 HydrophobicContact CE3-CD 3.74Å; W112-K284 HydrophobicContact CH2-CD 3.64Å; W112-K284 VanDerWaalsContact CH2-NZ 3.33Å; W112-K284 HydrophobicContact CZ2-CD 3.98Å; W112-K284 HydrophobicContact CZ3-CD 3.51Å; L281-K284 HydrophobicContact CD2-CD 4.25Å; L281-K284 WeakPolarHBondContact O-CA 3.21Å; L281-K284 PolarHBondContact O-N 2.92Å; A282-K284 PolarHBondContact O-N 2.88Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 3.23Å; K284-A287 PolarHBondContact O-N 3.39Å; K284-V288 PolarHBondContact O-N 3.01Å; K284-V288 VanDerWaalsContact O-N 3.15Å
285C77.7Confident85.4Confident0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-55.6-46175.7-64.50000111.7L250 L281 A282 A287 V288 Y289L250-C285 HydrophobicContact CD1-CB 4.35Å; L250-C285 WeakPolarHBondContact CD1-SG 3.39Å; L250-C285 HydrophobicContact CD2-CB 3.45Å; L250-C285 VanDerWaalsContact CD2-CB 3.45Å; L250-C285 HydrophobicContact CG-CB 3.87Å; L250-C285 WeakPolarHBondContact CG-SG 3.48Å; L281-C285 PolarHBondContact O-N 2.96Å; L281-C285 PolarHBondContact O-SG 2.86Å; A282-C285 WeakPolarHBondContact O-CB 3.42Å; A282-C285 PolarHBondContact O-N 3.05Å; C285-A287 PolarHBondContact O-N 3.06Å; C285-V288 PolarHBondContact O-N 2.82Å; C285-Y289 PolarHBondContact O-N 3.01Å; C285-Y289 VanDerWaalsContact O-N 3.08Å
286M82Confident85.2Confident15 Ų1541.6 Ų41.67%0.07422%0.22CC..Hα-helixtrans-65.3-38.8179.7-69.5-53.696.100112.1Q254 Y277 A282 K284 V288 Y289 Q290 F312Q254-M286 HydrophobicContact CG-CE 3.68Å; Y277-M286 HydrophobicContact CE1-CE 4.37Å; A282-M286 WeakPolarHBondContact O-CG 3.28Å; A282-M286 PolarHBondContact O-N 2.97Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 3.23Å; M286-V288 VanDerWaalsContact C-N 3.31Å; M286-V288 PolarHBondContact O-N 2.76Å; M286-Y289 PolarHBondContact O-N 3.4Å; M286-Q290 VanDerWaalsContact O-CG 3.28Å; M286-Q290 WeakPolarHBondContact O-CG 3.26Å; M286-Q290 PolarHBondContact O-N 2.95Å; M286-F312 HydrophobicContact SD-CE2 3.95Å
287A86.1Confident85.1Confident49 Ų4939.2 Ų39.241%0.40521%0.21SC..Hα-helixtrans-62.3-38.117600000112.2K283 K284 C285 Q290 T291K283-A287 PolarHBondContact O-N 2.91Å; K284-A287 PolarHBondContact O-N 3.39Å; C285-A287 PolarHBondContact O-N 3.06Å; A287-Q290 PolarHBondContact O-N 3.27Å; A287-T291 PolarHBondContact O-N 2.83Å; A287-T291 PolarHBondContact O-OG1 2.83Å
288V85.6Confident85Confident16 Ų1643.1 Ų43.110%0.09723%0.232CC..Hα-helixtrans-65.1-47.4174.91770000110.8A108 I109 K284 C285 M286 Q290 T291 Y292A108-V288 HydrophobicContact CB-CG1 3.94Å; I109-V288 HydrophobicContact CD1-CG1 4.43Å; I109-V288 HydrophobicContact CG1-CG1 3.58Å; K284-V288 PolarHBondContact O-N 3.01Å; K284-V288 VanDerWaalsContact O-N 3.15Å; C285-V288 PolarHBondContact O-N 2.82Å; M286-V288 VanDerWaalsContact C-N 3.31Å; M286-V288 PolarHBondContact O-N 2.76Å; V288-Q290 VanDerWaalsContact C-N 3.31Å; V288-Q290 PolarHBondContact O-N 3.24Å; V288-T291 WeakPolarHBondContact O-CB 3.35Å; V288-T291 PolarHBondContact O-N 3.03Å; V288-T291 VanDerWaalsContact O-N 3.08Å; V288-Y292 HydrophobicContact CG1-CD2 3.87Å; V288-Y292 HydrophobicContact CG1-CE2 4Å; V288-Y292 WeakPolarHBondContact O-CD2 3.18Å; V288-Y292 PolarHBondContact O-N 2.86Å
289Y84.9Confident85.1Confident0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-58-42.7176.4-94.9-107.4000112.4I109 L167 H194 L250 G251 Q254 C285 M286 T291 Y292 M296 F310I109-Y289 HydrophobicContact CD1-CE2 4.04Å; L167-Y289 HydrophobicContact CB-CE1 3.91Å; L167-Y289 HydrophobicContact CD2-CD1 3.69Å; L167-Y289 HydrophobicContact CD2-CD2 4.08Å; L167-Y289 HydrophobicContact CD2-CE1 3.79Å; L167-Y289 HydrophobicContact CD2-CE2 4.18Å; L167-Y289 HydrophobicContact CD2-CG 3.82Å; L167-Y289 HydrophobicContact CG-CE1 4.45Å; H194-Y289 AromaticContact NE2-CE1 3.88Å; L250-Y289 HydrophobicContact CD2-CD2 3.92Å; L250-Y289 HydrophobicContact CD2-CE2 3.55Å; G251-Y289 PolarHBondContact N-OH 2.77Å; Q254-Y289 HydrophobicContact CB-CD1 4.24Å; Q254-Y289 HydrophobicContact CB-CE1 3.81Å; Q254-Y289 HydrophobicContact CG-CD1 3.77Å; Q254-Y289 HydrophobicContact CG-CD2 4.28Å; Q254-Y289 HydrophobicContact CG-CE1 3.59Å; Q254-Y289 HydrophobicContact CG-CE2 4.12Å; Q254-Y289 HydrophobicContact CG-CG 4.12Å; Q254-Y289 VanDerWaalsContact OE1-CZ 3.25Å; Q254-Y289 PolarHBondContact OE1-OH 2.93Å; C285-Y289 PolarHBondContact O-N 3.01Å; C285-Y289 VanDerWaalsContact O-N 3.08Å; M286-Y289 PolarHBondContact O-N 3.4Å; Y289-T291 VanDerWaalsContact C-N 3.29Å; Y289-T291 PolarHBondContact O-N 2.81Å; Y289-Y292 PolarHBondContact O-N 2.84Å; Y289-M296 HydrophobicContact CD1-CE 3.59Å; Y289-M296 HydrophobicContact CE1-CE 4.4Å; Y289-M296 HydrophobicContact CG-CE 4.29Å; Y289-M296 VanDerWaalsContact O-CE 3.24Å; Y289-M296 WeakPolarHBondContact O-CE 3.46Å; Y289-F310 HydrophobicContact CD1-CE1 4.19Å; Y289-F310 HydrophobicContact CD1-CZ 4.41Å
290Q87.1Confident85.5Confident74 Ų7448.8 Ų48.835%0.34626%0.256SS..Hα-helixtrans-67.5-27.8177.2-69.5176.86.300113.1M286 A287 V288 V293 F310M286-Q290 VanDerWaalsContact O-CG 3.28Å; M286-Q290 WeakPolarHBondContact O-CG 3.26Å; M286-Q290 PolarHBondContact O-N 2.95Å; A287-Q290 PolarHBondContact O-N 3.27Å; V288-Q290 VanDerWaalsContact C-N 3.31Å; V288-Q290 PolarHBondContact O-N 3.24Å; Q290-V293 VanDerWaalsContact O-CG2 3.27Å; Q290-V293 WeakPolarHBondContact O-CG2 3.38Å; Q290-F310 HydrophobicContact CG-CB 4.14Å
291T90.1Very high86.2Confident100 Ų10049.2 Ų49.261%0.61325%0.245SC*.Hα-helixtrans-72.6-37.9177.6-57.50000111.4A287 V288 Y289A287-T291 PolarHBondContact O-N 2.83Å; A287-T291 PolarHBondContact O-OG1 2.83Å; V288-T291 WeakPolarHBondContact O-CB 3.35Å; V288-T291 PolarHBondContact O-N 3.03Å; V288-T291 VanDerWaalsContact O-N 3.08Å; Y289-T291 VanDerWaalsContact C-N 3.29Å; Y289-T291 PolarHBondContact O-N 2.81Å
292Y91.5Very high86.8Confident53 Ų5356.2 Ų56.221%0.20828%0.275CS..THydrogen-bonded Turntrans-99.732.2-175.8-65.9-72000113.9H104 A105 A108 V288 Y289 N294 A295H104-Y292 HydrophobicContact CB-CE1 3.7Å; H104-Y292 PolarHBondContact O-OH 2.94Å; A105-Y292 HydrophobicContact CB-CD1 4.13Å; A105-Y292 HydrophobicContact CB-CD2 4.12Å; A105-Y292 HydrophobicContact CB-CG 3.85Å; A108-Y292 HydrophobicContact CB-CD2 4.49Å; A108-Y292 HydrophobicContact CB-CE2 3.46Å; A108-Y292 VanDerWaalsContact CB-CE2 3.46Å; V288-Y292 HydrophobicContact CG1-CD2 3.87Å; V288-Y292 HydrophobicContact CG1-CE2 4Å; V288-Y292 WeakPolarHBondContact O-CD2 3.18Å; V288-Y292 PolarHBondContact O-N 2.86Å; Y289-Y292 PolarHBondContact O-N 2.84Å; Y292-N294 VanDerWaalsContact C-OD1 3.3Å; Y292-N294 WeakPolarHBondContact CA-OD1 3.4Å; Y292-N294 PolarHBondContact O-N 2.83Å; Y292-N294 VanDerWaalsContact O-N 3.15Å; Y292-N294 PolarHBondContact O-OD1 2.92Å; Y292-A295 PolarHBondContact O-N 3.28Å
293V89.9Confident87.3Confident16 Ų1658 Ų5810%0.09729%0.29CS..G310 helixtrans-58.3-25.6174.4169.50000112Q290 A295 M296 I300 R301 I304Q290-V293 VanDerWaalsContact O-CG2 3.27Å; Q290-V293 WeakPolarHBondContact O-CG2 3.38Å; V293-A295 PolarHBondContact O-N 2.86Å; V293-M296 HydrophobicContact CG2-SD 4.18Å; V293-M296 WeakPolarHBondContact O-CB 3.5Å; V293-M296 PolarHBondContact O-N 3.39Å; V293-M296 VanDerWaalsContact O-N 3.09Å; V293-I300 HydrophobicContact CG1-CG2 4.28Å; V293-R301 HydrophobicContact CG1-CG 4.21Å; V293-R301 VanDerWaalsContact O-CG 3.3Å; V293-R301 WeakPolarHBondContact O-CG 3.5Å; V293-I304 HydrophobicContact CG1-CB 4.3Å; V293-I304 HydrophobicContact CG1-CD1 4.49Å; V293-I304 HydrophobicContact CG1-CG1 4.27Å; V293-I304 HydrophobicContact CG1-CG2 4.27Å; V293-I304 HydrophobicContact CG2-CD1 3.94Å; V293-I304 HydrophobicContact CG2-CG1 4.34Å
294N87.3Confident87.5Confident115 Ų11551.9 Ų51.962%0.61527%0.265SS*.G310 helixtrans-59.5-30.1173.963.4-31000113.3Y292 M296 R301Y292-N294 VanDerWaalsContact C-OD1 3.3Å; Y292-N294 WeakPolarHBondContact CA-OD1 3.4Å; Y292-N294 PolarHBondContact O-N 2.83Å; Y292-N294 VanDerWaalsContact O-N 3.15Å; Y292-N294 PolarHBondContact O-OD1 2.92Å; N294-M296 VanDerWaalsContact C-N 3.32Å; N294-R301 PolarHBondContact O-NH1 3.08Å; N294-R301 VanDerWaalsContact O-NH1 3.08Å
295A89.3Confident87.3Confident13 Ų1353.9 Ų53.911%0.10728%0.281CS..G310 helixtrans-86.72.3178.100000114L167 Y292 V293L167-A295 HydrophobicContact CD1-CB 4Å; Y292-A295 PolarHBondContact O-N 3.28Å; V293-A295 PolarHBondContact O-N 2.86Å
296M92.3Very high87.6Confident0 Ų061.4 Ų61.40%032%0.32CS..SBendtrans-91.3172.3177.4-68.4-179.6-175.300112.1L167 H194 M196 Y289 V293 N294 I300 R301 F310L167-M296 HydrophobicContact CD1-CE 4.06Å; L167-M296 HydrophobicContact CD1-CG 3.81Å; L167-M296 HydrophobicContact CD2-CE 3.87Å; H194-M296 CarbonylContact O-C 3.57Å; H194-M296 WeakPolarHBondContact O-CA 3.28Å; H194-M296 WeakPolarHBondContact O-CB 3.45Å; M196-M296 WeakPolarHBondContact CE-O 3.2Å; Y289-M296 HydrophobicContact CD1-CE 3.59Å; Y289-M296 HydrophobicContact CE1-CE 4.4Å; Y289-M296 HydrophobicContact CG-CE 4.29Å; Y289-M296 VanDerWaalsContact O-CE 3.24Å; Y289-M296 WeakPolarHBondContact O-CE 3.46Å; V293-M296 HydrophobicContact CG2-SD 4.18Å; V293-M296 WeakPolarHBondContact O-CB 3.5Å; V293-M296 PolarHBondContact O-N 3.39Å; V293-M296 VanDerWaalsContact O-N 3.09Å; N294-M296 VanDerWaalsContact C-N 3.32Å; M296-I300 HydrophobicContact CB-CB 4.26Å; M296-I300 HydrophobicContact CB-CG2 4.33Å; M296-I300 HydrophobicContact SD-CB 4.42Å; M296-I300 HydrophobicContact SD-CG2 3.67Å; M296-R301 VanDerWaalsContact O-CZ 3.31Å; M296-R301 PolarHBondContact O-NH1 3.23Å; M296-F310 HydrophobicContact CE-CE1 4.45Å; M296-F310 HydrophobicContact CE-CE2 3.58Å; M296-F310 HydrophobicContact CE-CZ 3.51Å; M296-F310 HydrophobicContact SD-CE2 3.4Å; M296-F310 WeakPolarHBondContact SD-CE2 3.46Å; M296-F310 HydrophobicContact SD-CZ 3.58Å; M296-F310 VanDerWaalsContact SD-CZ 3.58Å
297N92.1Very high87.6Confident2 Ų264.8 Ų64.81%0.01134%0.338CS..  trans-66.1166.6177.87127000113.2E191 D192 R193 H194 K299 I300 R301E191-N297 HydrophobicContact CG-CB 4.39Å; E191-N297 WeakPolarHBondContact OE1-CB 3.32Å; D192-N297 PolarHBondContact O-ND2 3.32Å; D192-N297 VanDerWaalsContact O-ND2 3.12Å; R193-N297 VanDerWaalsContact C-ND2 3.32Å; R193-N297 PolarHBondContact O-ND2 3.04Å; H194-N297 WeakPolarHBondContact CA-ND2 3.27Å; H194-N297 PolarHBondContact N-ND2 3.02Å; H194-N297 PolarHBondContact O-N 3.25Å; N297-K299 PolarHBondContact O-N 3.21Å; N297-K299 WeakPolarHBondContact OD1-CB 3.29Å; N297-K299 PolarHBondContact OD1-N 2.86Å; N297-K299 VanDerWaalsContact OD1-N 3.1Å; N297-I300 PolarHBondContact O-N 3.36Å; N297-I300 PolarHBondContact OD1-N 2.75Å; N297-R301 WeakPolarHBondContact O-CG 3.2Å; N297-R301 PolarHBondContact O-N 2.77Å; N297-R301 VanDerWaalsContact O-N 3.14Å
298D90.6Very high87.6Confident87 Ų8764.1 Ų64.147%0.46533%0.327SS..Hα-helixtrans-62.4-27.6-179.7-83.3-39000114R301 K302D298-R301 VanDerWaalsContact CG-NH2 3.34Å; D298-R301 IonicContact OD1-CZ 2.75Å; D298-R301 IonicContact OD1-NE 2.77Å; D298-R301 PolarHBondContact OD1-NE 3.48Å; D298-R301 IonicContact OD1-NH2 3.7Å; D298-R301 PolarHBondContact OD1-NH2 3.45Å; D298-R301 IonicContact OD2-NH2 3.83Å; D298-K302 WeakPolarHBondContact O-CB 3.39Å; D298-K302 WeakPolarHBondContact O-CD 3.34Å; D298-K302 VanDerWaalsContact O-CG 3.25Å; D298-K302 WeakPolarHBondContact O-CG 3.45Å; D298-K302 PolarHBondContact O-N 2.79Å; D298-K302 VanDerWaalsContact O-N 3.11Å
299K89.8Confident87.4Confident115 Ų11564.7 Ų64.750%0.533%0.332SS..Hα-helixtrans-66-50.8-179.3-62172.8-171.6150.50110.1E191 N297 K302 A303E191-K299 IonicContact OE1-NZ 2.76Å; E191-K299 IonicContact OE2-NZ 3.94Å; E191-K299 PolarHBondContact OE2-NZ 2.83Å; N297-K299 PolarHBondContact O-N 3.21Å; N297-K299 WeakPolarHBondContact OD1-CB 3.29Å; N297-K299 PolarHBondContact OD1-N 2.86Å; N297-K299 VanDerWaalsContact OD1-N 3.1Å; K299-K302 PolarHBondContact O-N 3.47Å; K299-A303 WeakPolarHBondContact O-CB 3.48Å; K299-A303 PolarHBondContact O-N 3.31Å
300I90.4Very high87.5Confident12 Ų1265 Ų656%0.06233%0.333CS..Hα-helixtrans-66.8-43.3177.8-62.2-64.3000111.4R193 H194 V293 M296 N297 K302 A303 I304 P309 F310R193-I300 WeakPolarHBondContact O-CG1 3.18Å; H194-I300 HydrophobicContact CB-CD1 4.28Å; H194-I300 HydrophobicContact CB-CG1 3.86Å; V293-I300 HydrophobicContact CG1-CG2 4.28Å; M296-I300 HydrophobicContact CB-CB 4.26Å; M296-I300 HydrophobicContact CB-CG2 4.33Å; M296-I300 HydrophobicContact SD-CB 4.42Å; M296-I300 HydrophobicContact SD-CG2 3.67Å; N297-I300 PolarHBondContact O-N 3.36Å; N297-I300 PolarHBondContact OD1-N 2.75Å; I300-K302 PolarHBondContact O-N 3.16Å; I300-A303 PolarHBondContact O-N 3.27Å; I300-A303 VanDerWaalsContact O-N 3.11Å; I300-I304 PolarHBondContact O-N 2.86Å; I300-P309 HydrophobicContact CD1-CB 4.3Å; I300-P309 HydrophobicContact CD1-CG 3.48Å; I300-P309 VanDerWaalsContact CD1-CG 3.48Å; I300-P309 HydrophobicContact CG2-CG 4.29Å; I300-F310 HydrophobicContact CG2-CE2 3.93Å
301R88.6Confident87.6Confident87 Ų8765.5 Ų65.533%0.32834%0.341SS..Hα-helixtrans-57.7-33.4178.3-72.6-167.7-63.7-130.25.6113V293 N294 M296 N297 D298 I304V293-R301 HydrophobicContact CG1-CG 4.21Å; V293-R301 VanDerWaalsContact O-CG 3.3Å; V293-R301 WeakPolarHBondContact O-CG 3.5Å; N294-R301 PolarHBondContact O-NH1 3.08Å; N294-R301 VanDerWaalsContact O-NH1 3.08Å; M296-R301 VanDerWaalsContact O-CZ 3.31Å; M296-R301 PolarHBondContact O-NH1 3.23Å; N297-R301 WeakPolarHBondContact O-CG 3.2Å; N297-R301 PolarHBondContact O-N 2.77Å; N297-R301 VanDerWaalsContact O-N 3.14Å; D298-R301 VanDerWaalsContact CG-NH2 3.34Å; D298-R301 IonicContact OD1-CZ 2.75Å; D298-R301 IonicContact OD1-NE 2.77Å; D298-R301 PolarHBondContact OD1-NE 3.48Å; D298-R301 IonicContact OD1-NH2 3.7Å; D298-R301 PolarHBondContact OD1-NH2 3.45Å; D298-R301 IonicContact OD2-NH2 3.83Å; R301-I304 WeakPolarHBondContact O-CG2 3.44Å
302K88.5Confident87.6Confident150 Ų15062.3 Ų62.365%0.65232%0.319SS*.Hα-helixtrans-80-40.5174.9-70170.5-172.9172.50112.1D298 K299 I300 I304D298-K302 WeakPolarHBondContact O-CB 3.39Å; D298-K302 WeakPolarHBondContact O-CD 3.34Å; D298-K302 VanDerWaalsContact O-CG 3.25Å; D298-K302 WeakPolarHBondContact O-CG 3.45Å; D298-K302 PolarHBondContact O-N 2.79Å; D298-K302 VanDerWaalsContact O-N 3.11Å; K299-K302 PolarHBondContact O-N 3.47Å; I300-K302 PolarHBondContact O-N 3.16Å; K302-I304 PolarHBondContact O-N 2.64Å
303A85.8Confident87.7Confident38 Ų3866.1 Ų66.131%0.31434%0.336SS..Hα-helixtrans-66.6-35.2-177.900000113.1K299 I300 N305 I306 N307K299-A303 WeakPolarHBondContact O-CB 3.48Å; K299-A303 PolarHBondContact O-N 3.31Å; I300-A303 PolarHBondContact O-N 3.27Å; I300-A303 VanDerWaalsContact O-N 3.11Å; A303-N305 PolarHBondContact O-N 3.45Å; A303-I306 PolarHBondContact O-N 3.35Å; A303-N307 CarbonylContact C-O 3.54Å; A303-N307 CarbonylContact O-C 3.58Å; A303-N307 PolarHBondContact O-N 3.26Å
304I85.3Confident87.9Confident44 Ų4467.5 Ų67.523%0.22634%0.341CS..THydrogen-bonded Turntrans-55-31.2-173.5-157.476.4000113.9V293 I300 R301 K302 I306 N308V293-I304 HydrophobicContact CG1-CB 4.3Å; V293-I304 HydrophobicContact CG1-CD1 4.49Å; V293-I304 HydrophobicContact CG1-CG1 4.27Å; V293-I304 HydrophobicContact CG1-CG2 4.27Å; V293-I304 HydrophobicContact CG2-CD1 3.94Å; V293-I304 HydrophobicContact CG2-CG1 4.34Å; I300-I304 PolarHBondContact O-N 2.86Å; R301-I304 WeakPolarHBondContact O-CG2 3.44Å; K302-I304 PolarHBondContact O-N 2.64Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 3.07Å; I304-N308 HydrophobicContact CD1-CB 3.86Å; I304-N308 WeakPolarHBondContact CD1-OD1 3.49Å
305N78.5Confident88.2Confident146 Ų14662.8 Ų62.878%0.78132%0.316SS*.THydrogen-bonded Turntrans-75.5-17.8179.9-68.7-35.6000113.3A303A303-N305 PolarHBondContact O-N 3.45Å
306I84.5Confident88.3Confident158 Ų15865.4 Ų65.481%0.8133%0.334SS*.THydrogen-bonded Turntrans-106.2-53.4-178-56.2173.3000109.7A303 I304A303-I306 PolarHBondContact O-N 3.35Å; I304-I306 VanDerWaalsContact C-N 3.3Å; I304-I306 PolarHBondContact O-N 3.07Å
307N82.6Confident88.2Confident86 Ų8670 Ų7046%0.4636%0.358SS..  trans-148.4124.5179.4-17819.6000109A303 P309A303-N307 CarbonylContact C-O 3.54Å; A303-N307 CarbonylContact O-C 3.58Å; A303-N307 PolarHBondContact O-N 3.26Å; N307-P309 VanDerWaalsContact O-CD 3.25Å; N307-P309 WeakPolarHBondContact O-CD 3.43Å
308N84.6Confident87.9Confident34 Ų3470.2 Ų70.218%0.18236%0.359CS..  trans-79.1111.4178.5-176.7-17.1000110I304 F310 V311I304-N308 HydrophobicContact CD1-CB 3.86Å; I304-N308 WeakPolarHBondContact CD1-OD1 3.49Å; N308-F310 PolarHBondContact O-N 3.28Å; N308-F310 PolarHBondContact OD1-N 3.49Å; N308-V311 HydrophobicContact CB-CG2 3.92Å; N308-V311 PolarHBondContact O-N 2.88Å
309P82.7Confident87.1Confident29 Ų2973.9 Ų73.919%0.18837%0.371CS..THydrogen-bonded Turntrans-71.8-11.5-174.230.7-34.3000113.3L258 I300 N307 V311 F312L258-P309 HydrophobicContact CD2-CB 3.79Å; L258-P309 WeakPolarHBondContact CD2-O 3.45Å; I300-P309 HydrophobicContact CD1-CB 4.3Å; I300-P309 HydrophobicContact CD1-CG 3.48Å; I300-P309 VanDerWaalsContact CD1-CG 3.48Å; I300-P309 HydrophobicContact CG2-CG 4.29Å; N307-P309 VanDerWaalsContact O-CD 3.25Å; N307-P309 WeakPolarHBondContact O-CD 3.43Å; P309-V311 VanDerWaalsContact C-N 3.31Å; P309-F312 WeakPolarHBondContact O-CE1 3.35Å
310F86.6Confident86.3Confident5 Ų570 Ų702%0.02236%0.359CS..THydrogen-bonded Turntrans-89.24.1172.1-57.7-74.4000113.2H194 Q254 L258 Y289 Q290 M296 I300 N308 F312H194-F310 HydrophobicContact CB-CZ 3.94Å; Q254-F310 HydrophobicContact CB-CE1 4.46Å; L258-F310 HydrophobicContact CD1-CE1 4.04Å; L258-F310 HydrophobicContact CD1-CZ 4.42Å; L258-F310 HydrophobicContact CG-CE1 4.46Å; Y289-F310 HydrophobicContact CD1-CE1 4.19Å; Y289-F310 HydrophobicContact CD1-CZ 4.41Å; Q290-F310 HydrophobicContact CG-CB 4.14Å; M296-F310 HydrophobicContact CE-CE1 4.45Å; M296-F310 HydrophobicContact CE-CE2 3.58Å; M296-F310 HydrophobicContact CE-CZ 3.51Å; M296-F310 HydrophobicContact SD-CE2 3.4Å; M296-F310 WeakPolarHBondContact SD-CE2 3.46Å; M296-F310 HydrophobicContact SD-CZ 3.58Å; M296-F310 VanDerWaalsContact SD-CZ 3.58Å; I300-F310 HydrophobicContact CG2-CE2 3.93Å; N308-F310 PolarHBondContact O-N 3.28Å; N308-F310 PolarHBondContact OD1-N 3.49Å; F310-F312 HydrophobicContact CD1-CZ 4.33Å
311V88.8Confident85.6Confident85 Ų8572.1 Ų72.152%0.51537%0.369SS..SBendtrans-99.282.8166.7-1770000107.2N308 P309N308-V311 HydrophobicContact CB-CG2 3.92Å; N308-V311 PolarHBondContact O-N 2.88Å; P309-V311 VanDerWaalsContact C-N 3.31Å
312F90.8Very high85.1Confident34 Ų3474.9 Ų74.915%0.14939%0.39CS..  trans-66.2142.7-176.4-54.2-64.7000111.6L257 L258 D261 M286 P309 F310 I315L257-F312 HydrophobicContact CB-CE1 3.8Å; L257-F312 HydrophobicContact CB-CE2 3.95Å; L257-F312 HydrophobicContact CB-CZ 3.45Å; L257-F312 VanDerWaalsContact CB-CZ 3.45Å; L257-F312 HydrophobicContact CD1-CE2 3.9Å; L257-F312 HydrophobicContact CD1-CZ 4.11Å; L257-F312 HydrophobicContact CG-CE2 4.4Å; L257-F312 HydrophobicContact CG-CZ 4.35Å; L258-F312 HydrophobicContact CD2-CE1 3.99Å; L258-F312 HydrophobicContact CG-CE1 4.3Å; D261-F312 HydrophobicContact CB-CD1 3.78Å; M286-F312 HydrophobicContact SD-CE2 3.95Å; P309-F312 WeakPolarHBondContact O-CE1 3.35Å; F310-F312 HydrophobicContact CD1-CZ 4.33Å; F312-I315 HydrophobicContact CB-CB 3.74Å; F312-I315 HydrophobicContact CB-CD1 4.21Å; F312-I315 HydrophobicContact CB-CG1 4.01Å; F312-I315 HydrophobicContact CD1-CD1 4.09Å; F312-I315 HydrophobicContact CD2-CD1 4.49Å; F312-I315 HydrophobicContact CG-CB 4.23Å; F312-I315 HydrophobicContact CG-CD1 4Å; F312-I315 HydrophobicContact CG-CG1 4.35Å
313K92.1Very high84.4Confident133 Ų13374 Ų7458%0.57839%0.388SS*.SBendtrans-96.7-32.4-178.4-64.8179.1-172.8165.60112.2D261D261-K313 PolarHBondContact OD1-N 2.77Å
314H94.7Very high84.2Confident44 Ų4473 Ų7320%0.20438%0.376CS..SBendtrans-109.42.1-174.6-56.8-82.7000112.9D261 W264 Q265 H271D261-H314 IonicContact OD1-CD2 3.27Å; D261-H314 PolarHBondContact OD1-N 3.42Å; W264-H314 HydrophobicContact CB-CB 3.78Å; W264-H314 HydrophobicContact CG-CB 4.11Å; Q265-H314 VanDerWaalsContact CG-NE2 3.28Å; Q265-H314 WeakPolarHBondContact CG-NE2 3.46Å; H271-H314 AromaticContact CD2-CE1 3.92Å; H271-H314 AromaticContact CE1-CE1 3.8Å; H271-H314 AromaticContact NE2-CE1 3.55Å
315I94.3Very high84.1Confident17 Ų1777 Ų779%0.08740%0.398CS..EExtended strand (participates in β ladder)trans-113.7126.6-177.7-49.3-177.6000110.6L257 D261 I275 F312L257-I315 HydrophobicContact CB-CD1 4.05Å; L257-I315 HydrophobicContact CD2-CD1 3.52Å; L257-I315 HydrophobicContact CD2-CG2 3.87Å; L257-I315 HydrophobicContact CG-CD1 4.41Å; L257-I315 WeakPolarHBondContact O-CD1 3.15Å; D261-I315 HydrophobicContact CB-CD1 4.01Å; D261-I315 HydrophobicContact CB-CG1 4.36Å; I275-I315 HydrophobicContact CB-CG1 4.12Å; I275-I315 HydrophobicContact CB-CG2 4.46Å; I275-I315 HydrophobicContact CD1-CG1 4.18Å; I275-I315 HydrophobicContact CG2-CD1 4.38Å; I275-I315 HydrophobicContact CG2-CG1 4.06Å; I275-I315 HydrophobicContact CG2-CG2 4.07Å; I275-I315 WeakPolarHBondContact O-CA 3.28Å; F312-I315 HydrophobicContact CB-CB 3.74Å; F312-I315 HydrophobicContact CB-CD1 4.21Å; F312-I315 HydrophobicContact CB-CG1 4.01Å; F312-I315 HydrophobicContact CD1-CD1 4.09Å; F312-I315 HydrophobicContact CD2-CD1 4.49Å; F312-I315 HydrophobicContact CG-CB 4.23Å; F312-I315 HydrophobicContact CG-CD1 4Å; F312-I315 HydrophobicContact CG-CG1 4.35Å
316S91.6Very high84.5Confident68 Ų6873 Ų7348%0.47638%0.377SS..EExtended strand (participates in β ladder)trans-108.6143.1177.9-66.80000111.4I275 Y276 Y277I275-S316 PolarHBondContact O-N 3.06Å; Y276-S316 CarbonylContact C-O 3.55Å; Y276-S316 VanDerWaalsContact CA-O 3.32Å; Y276-S316 WeakPolarHBondContact CA-O 3.43Å; Y277-S316 PolarHBondContact N-O 2.93Å
317N89.8Confident84.8Confident95 Ų9572.3 Ų72.351%0.50837%0.374SS..EExtended strand (participates in β ladder)trans-78.5134.9174.6-66.3-39.8000110.4Y277Y277-N317 WeakPolarHBondContact O-CA 3.43Å
318L84.9Confident85.3Confident7 Ų769.6 Ų69.64%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-114.2126.5172.7-177.968.8000109.7Y276 Y277 A278 S279 S320 H323 F324Y276-L318 HydrophobicContact CD1-CB 4.21Å; Y276-L318 HydrophobicContact CG-CB 4.47Å; Y277-L318 PolarHBondContact O-N 2.95Å; A278-L318 WeakPolarHBondContact CA-O 3.3Å; A278-L318 HydrophobicContact CB-CB 4Å; A278-L318 HydrophobicContact CB-CD2 3.94Å; A278-L318 HydrophobicContact CB-CG 4.34Å; S279-L318 PolarHBondContact N-O 3.06Å; S279-L318 VanDerWaalsContact N-O 3.17Å; L318-S320 WeakPolarHBondContact CD1-O 3.21Å; L318-H323 HydrophobicContact CD1-CB 4.1Å; L318-F324 HydrophobicContact CD1-CB 3.83Å; L318-F324 HydrophobicContact CD2-CB 3.82Å; L318-F324 HydrophobicContact CD2-CD2 3.92Å; L318-F324 HydrophobicContact CD2-CG 4.01Å; L318-F324 HydrophobicContact CG-CB 4.43Å
319K74.3Confident85.9Confident164 Ų16469.4 Ų69.471%0.71337%0.367SS*.  trans-87.1-42.4-175.6-71.4-177.4-178.9175.70113.4
320S73.5Confident86.6Confident34 Ų3468.2 Ų68.224%0.23836%0.359CS..  trans-155.6166.7-179.264.80000109.6L318 D322 H323L318-S320 WeakPolarHBondContact CD1-O 3.21Å; S320-D322 PolarHBondContact O-N 2.9Å; S320-D322 PolarHBondContact OG-OD2 3.18Å; S320-H323 PolarHBondContact O-N 2.84Å; S320-H323 PolarHBondContact OG-CD2 2.83Å
321M75.3Confident87.2Confident56 Ų5668 Ų6828%0.27636%0.358SS..G310 helixtrans-59.1-30.3174.7-1657587.300112.4H323 F324 L343 E346 L347M321-H323 PolarHBondContact O-N 2.93Å; M321-H323 VanDerWaalsContact O-N 3.1Å; M321-F324 WeakPolarHBondContact O-CB 3.47Å; M321-F324 PolarHBondContact O-N 3.4Å; M321-F324 HydrophobicContact SD-CD1 3.85Å; M321-L343 HydrophobicContact CB-CD1 4.31Å; M321-L343 HydrophobicContact CE-CD1 3.96Å; M321-L343 HydrophobicContact SD-CD1 4.49Å; M321-E346 HydrophobicContact CE-CB 4.36Å; M321-L347 HydrophobicContact CE-CD2 3.48Å; M321-L347 VanDerWaalsContact CE-CD2 3.48Å; M321-L347 HydrophobicContact CE-CG 3.77Å; M321-L347 HydrophobicContact SD-CD2 3.75Å
322D77.4Confident87.5Confident146 Ų14664 Ų6478%0.78133%0.334SS*.G310 helixtrans-63.9-19179.8-48.7-49.7000113.8S320S320-D322 PolarHBondContact O-N 2.9Å; S320-D322 PolarHBondContact OG-OD2 3.18Å
323H73.9Confident87.7Confident131 Ų13162.3 Ų62.361%0.60633%0.326SS*.G310 helixtrans-101.58177.4-62.9-56.3000112.6L318 S320 M321L318-H323 HydrophobicContact CD1-CB 4.1Å; S320-H323 PolarHBondContact O-N 2.84Å; S320-H323 PolarHBondContact OG-CD2 2.83Å; M321-H323 PolarHBondContact O-N 2.93Å; M321-H323 VanDerWaalsContact O-N 3.1Å
324F81.9Confident87.7Confident16 Ų1656 Ų567%0.0730%0.299CS..  trans-110.3108.7-178.4-178.7-115.9000110.1Y276 L318 M321 D326 V332 L347 W351Y276-F324 HydrophobicContact CD2-CD2 4.13Å; Y276-F324 AromaticContact CD2-CE2 3.68Å; Y276-F324 HydrophobicContact CD2-CE2 3.68Å; Y276-F324 AromaticContact CE2-CD2 3.98Å; Y276-F324 HydrophobicContact CE2-CD2 3.98Å; Y276-F324 AromaticContact CE2-CE2 3.53Å; Y276-F324 HydrophobicContact CE2-CE2 3.53Å; L318-F324 HydrophobicContact CD1-CB 3.83Å; L318-F324 HydrophobicContact CD2-CB 3.82Å; L318-F324 HydrophobicContact CD2-CD2 3.92Å; L318-F324 HydrophobicContact CD2-CG 4.01Å; L318-F324 HydrophobicContact CG-CB 4.43Å; M321-F324 WeakPolarHBondContact O-CB 3.47Å; M321-F324 PolarHBondContact O-N 3.4Å; M321-F324 HydrophobicContact SD-CD1 3.85Å; F324-D326 HydrophobicContact CD1-CB 3.95Å; F324-D326 HydrophobicContact CE1-CB 3.43Å; F324-D326 VanDerWaalsContact CE1-CB 3.43Å; F324-D326 HydrophobicContact CZ-CB 4.11Å; F324-D326 PolarHBondContact O-N 3.28Å; F324-V332 HydrophobicContact CE2-CG2 4.14Å; F324-V332 HydrophobicContact CZ-CG2 4.15Å; F324-L347 HydrophobicContact CE1-CD2 4.5Å; F324-W351 AromaticContact CE1-CZ2 3.96Å; F324-W351 HydrophobicContact CE1-CZ2 3.96Å; F324-W351 HydrophobicContact CZ-CZ2 4.06Å
325D83.1Confident87.4Confident128 Ų12854.4 Ų54.468%0.68429%0.293SS*.  trans-84.1101.5167.4-68.1-33000108.3I327D325-I327 HydrophobicContact CB-CD1 4.16Å; D325-I327 HydrophobicContact CB-CG1 4.3Å; D325-I327 PolarHBondContact O-N 3.33Å
326D87.7Confident87.2Confident63 Ų6354.1 Ų54.134%0.33729%0.292SS..  trans-73.366.9180-168.5-6.8000112.1R242 F324 W351R242-D326 IonicContact CZ-OD1 3.29Å; R242-D326 IonicContact NE-OD1 3.94Å; R242-D326 PolarHBondContact NE-OD1 2.75Å; R242-D326 IonicContact NE-OD2 2.77Å; R242-D326 IonicContact NH2-OD1 2.81Å; R242-D326 PolarHBondContact NH2-OD1 3.48Å; F324-D326 HydrophobicContact CD1-CB 3.95Å; F324-D326 HydrophobicContact CE1-CB 3.43Å; F324-D326 VanDerWaalsContact CE1-CB 3.43Å; F324-D326 HydrophobicContact CZ-CB 4.11Å; F324-D326 PolarHBondContact O-N 3.28Å; D326-W351 PolarHBondContact OD2-NE1 2.91Å
327I90.1Very high87Confident143 Ų14351.4 Ų51.473%0.73328%0.275SS*.  trans-114.8117.9-178.1-56175.6000109.4D325D325-I327 HydrophobicContact CB-CD1 4.16Å; D325-I327 HydrophobicContact CB-CG1 4.3Å; D325-I327 PolarHBondContact O-N 3.33Å
328G93.7Very high87.1Confident29 Ų2948.2 Ų48.230%0.29926%0.257SS..SBendtrans77.7-169.6177.700000114.1R242R242-G328 VanDerWaalsContact CZ-O 3.32Å; R242-G328 PolarHBondContact NE-O 3.21Å; R242-G328 PolarHBondContact NH2-O 3.41Å
329P97.1Very high87.5Confident31 Ų3147.9 Ų47.920%0.20126%0.255CS..  trans-68.8143.7174.628.2-33.2000111.2V237 G241 I273V237-P329 HydrophobicContact CB-CB 4.07Å; V237-P329 HydrophobicContact CG1-CB 4.41Å; G241-P329 WeakPolarHBondContact O-CA 3.02Å; G241-P329 WeakPolarHBondContact O-CB 3.45Å; I273-P329 HydrophobicContact CD1-CG 4.23Å; I273-P329 HydrophobicContact CG1-CG 4.12Å; I273-P329 HydrophobicContact CG2-CB 4.34Å; I273-P329 HydrophobicContact CG2-CG 4.46Å
330S97.2Very high88.2Confident4 Ų443.5 Ų43.53%0.02824%0.237CC..EExtended strand (participates in β ladder)trans-154.1158.317559.30000111R242 C243R242-S330 WeakPolarHBondContact CA-O 3.44Å; C243-S330 PolarHBondContact N-O 2.6Å
331V98Very high88.9Confident0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-113124.1171.5-1760000108.1V233 V237 C243 I245 L260 W264 P274 I275 Y276V233-V331 HydrophobicContact CG1-CG1 4.36Å; V233-V331 HydrophobicContact CG1-CG2 3.69Å; V237-V331 HydrophobicContact CG1-CG2 3.82Å; C243-V331 HydrophobicContact CB-CB 4.45Å; C243-V331 HydrophobicContact CB-CG1 4.28Å; C243-V331 HydrophobicContact CB-CG2 4.13Å; C243-V331 WeakPolarHBondContact O-CA 3.15Å; I245-V331 HydrophobicContact CD1-CG1 3.78Å; I245-V331 HydrophobicContact CG1-CG1 4.47Å; L260-V331 HydrophobicContact CD1-CG1 4.33Å; W264-V331 HydrophobicContact CH2-CG2 3.79Å; W264-V331 HydrophobicContact CZ2-CG2 4.08Å; P274-V331 PolarHBondContact O-N 3.35Å; I275-V331 CarbonylContact C-O 3.57Å; I275-V331 WeakPolarHBondContact CA-O 3.48Å; I275-V331 HydrophobicContact CB-CB 4.5Å; I275-V331 HydrophobicContact CG1-CB 4.18Å; I275-V331 HydrophobicContact CG1-CG2 4.49Å; I275-V331 HydrophobicContact CG2-CB 4.27Å; I275-V331 HydrophobicContact CG2-CG1 4.33Å; Y276-V331 PolarHBondContact N-O 2.73Å
332V96.3Very high89.5Confident0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.7118.6-179.6-175.70000110.5C243 I245 Y276 A278 F324 A334 L347 W351C243-V332 PolarHBondContact O-N 2.77Å; I245-V332 PolarHBondContact N-O 3.32Å; Y276-V332 HydrophobicContact CD2-CG2 4.04Å; Y276-V332 WeakPolarHBondContact O-CA 3.18Å; A278-V332 HydrophobicContact CB-CG1 3.8Å; F324-V332 HydrophobicContact CE2-CG2 4.14Å; F324-V332 HydrophobicContact CZ-CG2 4.15Å; V332-A334 HydrophobicContact CG1-CB 4.34Å; V332-L347 HydrophobicContact CB-CD1 4.37Å; V332-L347 HydrophobicContact CG1-CD1 3.6Å; V332-W351 HydrophobicContact CB-CH2 3.83Å; V332-W351 HydrophobicContact CB-CZ3 4.33Å; V332-W351 HydrophobicContact CG2-CH2 3.58Å; V332-W351 HydrophobicContact CG2-CZ2 4.38Å; V332-W351 HydrophobicContact CG2-CZ3 4.5Å
333M95.3Very high90.1Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-95114.4170-64.4-179.566.600109.2I245 V247 A253 L256 L257 L260 Y276 Y277 A278I245-M333 HydrophobicContact CB-CG 4.01Å; I245-M333 HydrophobicContact CD1-CG 4.22Å; I245-M333 HydrophobicContact CG2-CG 4.39Å; I245-M333 WeakPolarHBondContact O-CA 3.43Å; V247-M333 HydrophobicContact CG2-CB 4.25Å; V247-M333 HydrophobicContact CG2-CE 3.71Å; A253-M333 HydrophobicContact CB-CE 4.04Å; L256-M333 HydrophobicContact CB-CE 3.67Å; L256-M333 HydrophobicContact CB-SD 4.48Å; L256-M333 HydrophobicContact CD1-CE 4.14Å; L257-M333 HydrophobicContact CD2-CE 4.2Å; L257-M333 HydrophobicContact CD2-SD 3.44Å; L257-M333 WeakPolarHBondContact CD2-SD 3.39Å; L257-M333 HydrophobicContact CG-CE 4Å; L257-M333 HydrophobicContact CG-SD 3.86Å; L260-M333 HydrophobicContact CD1-SD 3.87Å; Y276-M333 PolarHBondContact O-N 3.4Å; Y277-M333 HydrophobicContact CD2-CB 4.23Å; A278-M333 WeakPolarHBondContact CA-O 3.31Å; A278-M333 WeakPolarHBondContact CB-O 3.29Å; A278-M333 PolarHBondContact N-O 3.03Å
334A91.8Very high91Very high1 Ų128.6 Ų28.61%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-133.5145.8-172.200000112.9L244 I245 P246 V247 A278 V332 L343 S344 L347L244-A334 HydrophobicContact CD1-CB 4.4Å; I245-A334 PolarHBondContact O-N 3.47Å; P246-A334 WeakPolarHBondContact CA-O 3.37Å; V247-A334 PolarHBondContact N-O 2.87Å; V247-A334 CarbonylContact O-C 3.52Å; V247-A334 VanDerWaalsContact O-O 3.05Å; A278-A334 HydrophobicContact CB-CB 4.17Å; V332-A334 HydrophobicContact CG1-CB 4.34Å; A334-L343 HydrophobicContact CB-CG 4.33Å; A334-S344 WeakPolarHBondContact O-CB 3.44Å; A334-L347 HydrophobicContact CB-CD1 3.82Å
335S88.2Confident91.6Very high9 Ų928.9 Ų28.96%0.06317%0.166CC..SBendtrans-89.7153.3173.162.70000112.7D116 V247 L343 S344D116-S335 PolarHBondContact OD2-OG 2.72Å; V247-S335 WeakPolarHBondContact O-CA 3.21Å; V247-S335 WeakPolarHBondContact O-CB 3.36Å; V247-S335 PolarHBondContact O-N 3.2Å; S335-L343 PolarHBondContact O-N 2.7Å; S335-S344 PolarHBondContact O-N 3.06Å; S335-S344 PolarHBondContact O-OG 2.85Å
336P89.1Confident92Very high12 Ų1227.2 Ų27.28%0.07815%0.154CC..  cis-83.6163.2-5.335-35000113.5V120 F248 M338 M339 S341 S344V120-P336 HydrophobicContact CG1-CB 4.46Å; V120-P336 HydrophobicContact CG1-CG 4Å; F248-P336 HydrophobicContact CD1-CB 4.23Å; F248-P336 HydrophobicContact CE1-CB 3.65Å; F248-P336 HydrophobicContact CZ-CB 4.16Å; P336-M338 PolarHBondContact O-N 2.98Å; P336-M339 PolarHBondContact O-N 2.87Å; P336-S341 WeakPolarHBondContact CD-O 3.46Å; P336-S341 WeakPolarHBondContact CG-O 3.19Å; P336-S344 VanDerWaalsContact CD-OG 3.3Å; P336-S344 WeakPolarHBondContact CD-OG 3.33Å; P336-S344 WeakPolarHBondContact O-CB 3.4Å; P336-S344 PolarHBondContact O-OG 3.25Å
337G89.4Confident92.4Very high11 Ų1124.2 Ų24.211%0.11314%0.138CC..THydrogen-bonded Turntrans-66.6-30.6-176.800000115.5
338M91.6Very high92.7Very high27 Ų2717.4 Ų17.413%0.13310%0.103CC..THydrogen-bonded Turntrans-95.82.2-178.2-59.8178.6-168.600113.6P52 P336 Q340 V366 T369 A371P52-M338 HydrophobicContact CB-CE 4.41Å; P52-M338 HydrophobicContact CB-SD 3.82Å; P52-M338 HydrophobicContact CG-CE 4.38Å; P52-M338 HydrophobicContact CG-SD 4.41Å; P336-M338 PolarHBondContact O-N 2.98Å; M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.22Å; M338-V366 HydrophobicContact CE-CB 4.43Å; M338-V366 HydrophobicContact CE-CG2 3.76Å; M338-V366 HydrophobicContact SD-CB 4.23Å; M338-V366 HydrophobicContact SD-CG2 4.19Å; M338-T369 HydrophobicContact CB-CG2 3.94Å; M338-T369 HydrophobicContact CG-CG2 4.35Å; M338-T369 HydrophobicContact SD-CG2 3.74Å; M338-A371 HydrophobicContact CB-CB 4.45Å; M338-A371 PolarHBondContact O-N 2.93Å
339M93.1Very high92.8Very high0 Ų017.7 Ų17.70%010%0.097CC..  trans58.931.8171-50.7156.968.900115.7L244 P246 P336 R345 F348 I361 L370 A371 I374L244-M339 HydrophobicContact CD2-CE 4.38Å; P246-M339 HydrophobicContact CB-CG 3.57Å; P246-M339 HydrophobicContact CB-SD 3.96Å; P246-M339 HydrophobicContact CG-CG 4Å; P246-M339 HydrophobicContact CG-SD 3.7Å; P336-M339 PolarHBondContact O-N 2.87Å; M339-R345 WeakPolarHBondContact O-CD 3.32Å; M339-R345 PolarHBondContact O-NH1 3.17Å; M339-F348 HydrophobicContact CE-CB 3.37Å; M339-F348 HydrophobicContact CE-CD1 3.81Å; M339-F348 HydrophobicContact CE-CD2 3.27Å; M339-F348 HydrophobicContact CE-CE1 4.4Å; M339-F348 HydrophobicContact CE-CE2 3.93Å; M339-F348 HydrophobicContact CE-CG 3.18Å; M339-F348 HydrophobicContact CE-CZ 4.45Å; M339-I361 HydrophobicContact SD-CD1 3.98Å; M339-L370 HydrophobicContact CB-CB 4.29Å; M339-L370 HydrophobicContact CB-CD2 3.95Å; M339-L370 HydrophobicContact CB-CG 4.44Å; M339-L370 HydrophobicContact CE-CD2 4.12Å; M339-A371 HydrophobicContact SD-CB 4.22Å; M339-I374 HydrophobicContact CE-CD1 4.34Å; M339-I374 HydrophobicContact SD-CD1 4.22Å
340Q88.2Confident92.7Very high72 Ų7219.8 Ų19.834%0.33611%0.112SC..SBendtrans-67.8-40.9177.3-63.7-68.14300112.4M338 R345 G368 T369M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.22Å; Q340-R345 PolarHBondContact O-NH1 2.9Å; Q340-G368 PolarHBondContact NE2-O 2.99Å; Q340-G368 VanDerWaalsContact NE2-O 3.14Å; Q340-T369 HydrophobicContact CG-CG2 4.46Å
341S88.1Confident92.7Very high14 Ų1419.9 Ų19.910%0.09811%0.111CC..SBendtrans-152.2-172.218060.40000110V120 P336 R345V120-S341 WeakPolarHBondContact CG1-OG 3.42Å; V120-S341 PolarHBondContact O-OG 2.55Å; P336-S341 WeakPolarHBondContact CD-O 3.46Å; P336-S341 WeakPolarHBondContact CG-O 3.19Å; S341-R345 WeakPolarHBondContact O-CB 3.49Å
342G88.6Confident92.7Very high14 Ų1419.9 Ų19.914%0.14411%0.111CC..Hα-helixtrans74.1-165.8170.900000114.8S344 R345 E346G342-S344 PolarHBondContact O-N 3.26Å; G342-R345 WeakPolarHBondContact O-CB 3.3Å; G342-R345 PolarHBondContact O-N 3.38Å; G342-R345 VanDerWaalsContact O-N 3.12Å; G342-E346 PolarHBondContact O-N 3.09Å
343L89.5Confident92.8Very high27 Ų2722.5 Ų22.514%0.14113%0.128CC..Hα-helixtrans-66.1-36.9-166.9-175.559.1000113.2A278 M321 A334 S335 R345 E346 L347A278-L343 HydrophobicContact CB-CD2 3.59Å; M321-L343 HydrophobicContact CB-CD1 4.31Å; M321-L343 HydrophobicContact CE-CD1 3.96Å; M321-L343 HydrophobicContact SD-CD1 4.49Å; A334-L343 HydrophobicContact CB-CG 4.33Å; S335-L343 PolarHBondContact O-N 2.7Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 3.42Å; L343-E346 PolarHBondContact O-N 3.15Å; L343-L347 HydrophobicContact CD1-CD1 4.2Å; L343-L347 HydrophobicContact CD1-CG 4.19Å; L343-L347 HydrophobicContact CG-CD1 3.9Å; L343-L347 HydrophobicContact CG-CG 4.38Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.46Å; L343-L347 PolarHBondContact O-N 3.14Å
344S92.9Very high92.9Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-63.3-34.6176.571.90000112.2A334 S335 P336 G342 F348A334-S344 WeakPolarHBondContact O-CB 3.44Å; S335-S344 PolarHBondContact O-N 3.06Å; S335-S344 PolarHBondContact O-OG 2.85Å; P336-S344 VanDerWaalsContact CD-OG 3.3Å; P336-S344 WeakPolarHBondContact CD-OG 3.33Å; P336-S344 WeakPolarHBondContact O-CB 3.4Å; P336-S344 PolarHBondContact O-OG 3.25Å; G342-S344 PolarHBondContact O-N 3.26Å; S344-F348 VanDerWaalsContact O-CB 3.32Å; S344-F348 WeakPolarHBondContact O-CB 3.09Å; S344-F348 PolarHBondContact O-N 2.72Å; S344-F348 VanDerWaalsContact O-N 3.09Å
345R93.9Very high93.2Very high22 Ų2232.2 Ų32.28%0.08317%0.172CC..Hα-helixtrans-71.3-44.8175.7177.855.2171.4-83.41.1111.6M339 Q340 S341 G342 L343 F348 E349 L370 T382 M384M339-R345 WeakPolarHBondContact O-CD 3.32Å; M339-R345 PolarHBondContact O-NH1 3.17Å; Q340-R345 PolarHBondContact O-NH1 2.9Å; S341-R345 WeakPolarHBondContact O-CB 3.49Å; G342-R345 WeakPolarHBondContact O-CB 3.3Å; G342-R345 PolarHBondContact O-N 3.38Å; G342-R345 VanDerWaalsContact O-N 3.12Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 3.42Å; R345-F348 WeakPolarHBondContact O-CB 3.45Å; R345-F348 PolarHBondContact O-N 3.48Å; R345-E349 IonicContact CZ-OE1 3.04Å; R345-E349 IonicContact NE-OE1 3.36Å; R345-E349 PolarHBondContact NE-OE1 3.04Å; R345-E349 IonicContact NH2-OE1 2.66Å; R345-E349 WeakPolarHBondContact O-CG 3.37Å; R345-E349 PolarHBondContact O-N 3.31Å; R345-L370 VanDerWaalsContact CD-CD2 3.44Å; R345-T382 PolarHBondContact NH2-O 3.41Å; R345-M384 HydrophobicContact CB-SD 4.4Å; R345-M384 HydrophobicContact CG-CG 3.78Å; R345-M384 HydrophobicContact CG-SD 3.58Å; R345-M384 VanDerWaalsContact CG-SD 3.58Å
346E92.8Very high93.7Very high92 Ų9236.2 Ų36.243%0.4319%0.186SC..Hα-helixtrans-61.5-45.6177.7-69.9172.7-167.300112.4M321 G342 L343 F348 E349 S350M321-E346 HydrophobicContact CE-CB 4.36Å; G342-E346 PolarHBondContact O-N 3.09Å; L343-E346 PolarHBondContact O-N 3.15Å; E346-F348 VanDerWaalsContact C-N 3.35Å; E346-E349 PolarHBondContact O-N 3.12Å; E346-S350 WeakPolarHBondContact O-CB 3.34Å; E346-S350 PolarHBondContact O-N 3.28Å; E346-S350 PolarHBondContact O-OG 3.3Å
347L94.8Very high94.1Very high1 Ų135.9 Ų35.91%0.00518%0.183CC..Hα-helixtrans-61.8-42.9174.8-73.1164.7000111.5L244 M321 F324 V332 A334 L343 S350 W351L244-L347 HydrophobicContact CD1-CB 3.94Å; L244-L347 HydrophobicContact CD1-CD1 3.98Å; L244-L347 HydrophobicContact CD2-CB 4.38Å; M321-L347 HydrophobicContact CE-CD2 3.48Å; M321-L347 VanDerWaalsContact CE-CD2 3.48Å; M321-L347 HydrophobicContact CE-CG 3.77Å; M321-L347 HydrophobicContact SD-CD2 3.75Å; F324-L347 HydrophobicContact CE1-CD2 4.5Å; V332-L347 HydrophobicContact CB-CD1 4.37Å; V332-L347 HydrophobicContact CG1-CD1 3.6Å; A334-L347 HydrophobicContact CB-CD1 3.82Å; L343-L347 HydrophobicContact CD1-CD1 4.2Å; L343-L347 HydrophobicContact CD1-CG 4.19Å; L343-L347 HydrophobicContact CG-CD1 3.9Å; L343-L347 HydrophobicContact CG-CG 4.38Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.46Å; L343-L347 PolarHBondContact O-N 3.14Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-W351 HydrophobicContact CB-CE3 4.45Å; L347-W351 HydrophobicContact CB-CZ3 4.47Å; L347-W351 HydrophobicContact CD2-CH2 3.83Å; L347-W351 HydrophobicContact CD2-CZ2 3.53Å; L347-W351 HydrophobicContact CD2-CZ3 4.47Å; L347-W351 VanDerWaalsContact O-CB 3.29Å; L347-W351 WeakPolarHBondContact O-CB 3.3Å; L347-W351 VanDerWaalsContact O-CG 3.23Å; L347-W351 PolarHBondContact O-N 3.27Å
348F97.1Very high94.5Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-60.6-48.8176.7176.9-101.7000112.3L244 M339 S344 R345 E346 S350 W351 C352 V359 L370 I374 I381 L391 M393L244-F348 HydrophobicContact CD2-CB 3.7Å; L244-F348 HydrophobicContact CD2-CD2 4.37Å; M339-F348 HydrophobicContact CE-CB 3.37Å; M339-F348 HydrophobicContact CE-CD1 3.81Å; M339-F348 HydrophobicContact CE-CD2 3.27Å; M339-F348 HydrophobicContact CE-CE1 4.4Å; M339-F348 HydrophobicContact CE-CE2 3.93Å; M339-F348 HydrophobicContact CE-CG 3.18Å; M339-F348 HydrophobicContact CE-CZ 4.45Å; S344-F348 VanDerWaalsContact O-CB 3.32Å; S344-F348 WeakPolarHBondContact O-CB 3.09Å; S344-F348 PolarHBondContact O-N 2.72Å; S344-F348 VanDerWaalsContact O-N 3.09Å; R345-F348 WeakPolarHBondContact O-CB 3.45Å; R345-F348 PolarHBondContact O-N 3.48Å; E346-F348 VanDerWaalsContact C-N 3.35Å; F348-S350 PolarHBondContact O-N 2.81Å; F348-W351 PolarHBondContact O-N 3.45Å; F348-W351 VanDerWaalsContact O-N 3.12Å; F348-C352 HydrophobicContact CD2-CB 4.49Å; F348-C352 HydrophobicContact CE1-CB 4.25Å; F348-C352 HydrophobicContact CE2-CB 4.21Å; F348-C352 HydrophobicContact CZ-CB 4.08Å; F348-C352 WeakPolarHBondContact O-CB 3.46Å; F348-C352 PolarHBondContact O-N 2.76Å; F348-V359 HydrophobicContact CE2-CG1 4.27Å; F348-L370 HydrophobicContact CD1-CD2 3.88Å; F348-L370 HydrophobicContact CE1-CD2 3.97Å; F348-I374 HydrophobicContact CE1-CG2 4.43Å; F348-I374 HydrophobicContact CE2-CD1 4.11Å; F348-I374 HydrophobicContact CZ-CD1 4.38Å; F348-I374 HydrophobicContact CZ-CG2 3.81Å; F348-I381 HydrophobicContact CE1-CB 4.43Å; F348-I381 HydrophobicContact CE1-CD1 4.01Å; F348-I381 HydrophobicContact CE1-CG1 3.9Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CZ-CG1 4.46Å; F348-I381 HydrophobicContact CZ-CG2 4.36Å; F348-L391 HydrophobicContact CE2-CD1 4.06Å; F348-L391 HydrophobicContact CZ-CD1 3.75Å; F348-M393 HydrophobicContact CD2-SD 3.56Å; F348-M393 VanDerWaalsContact CD2-SD 3.56Å; F348-M393 HydrophobicContact CE2-SD 3.46Å; F348-M393 WeakPolarHBondContact CE2-SD 3.48Å
349E96.3Very high94.9Very high35 Ų3534 Ų3416%0.16417%0.171CC..Hα-helixtrans-60.6-37.5178.1-70.5-179-175.500111.5R345 E346 W351 C352 T383 M384 L389R345-E349 IonicContact CZ-OE1 3.04Å; R345-E349 IonicContact NE-OE1 3.36Å; R345-E349 PolarHBondContact NE-OE1 3.04Å; R345-E349 IonicContact NH2-OE1 2.66Å; R345-E349 WeakPolarHBondContact O-CG 3.37Å; R345-E349 PolarHBondContact O-N 3.31Å; E346-E349 PolarHBondContact O-N 3.12Å; E349-W351 VanDerWaalsContact C-N 3.34Å; E349-W351 PolarHBondContact O-N 2.75Å; E349-C352 PolarHBondContact O-SG 3.34Å; E349-C352 VanDerWaalsContact O-SG 3.4Å; E349-T383 HydrophobicContact CG-CG2 4.2Å; E349-T383 WeakPolarHBondContact OE1-CA 3.35Å; E349-T383 WeakPolarHBondContact OE1-CB 3.42Å; E349-T383 WeakPolarHBondContact OE2-CB 3.05Å; E349-M384 PolarHBondContact OE1-N 3.34Å; E349-L389 HydrophobicContact CB-CD1 4.2Å; E349-L389 WeakPolarHBondContact O-CD1 3.38Å
350S95.1Very high95.1Very high74 Ų7434 Ų3452%0.51717%0.171SC..Hα-helixtrans-67.2-32.9176.8-57.40000113E346 L347 F348E346-S350 WeakPolarHBondContact O-CB 3.34Å; E346-S350 PolarHBondContact O-N 3.28Å; E346-S350 PolarHBondContact O-OG 3.3Å; L347-S350 PolarHBondContact O-N 3.06Å; F348-S350 PolarHBondContact O-N 2.81Å
351W97.4Very high95.5Very high6 Ų630.7 Ų30.72%0.02316%0.156CC..Hα-helixtrans-105.1-18.7-169.7-66.3-10.4000115R242 L244 F324 D326 V332 L347 F348 E349 T353 D354 N357R242-W351 HydrophobicContact CB-CD2 3.75Å; R242-W351 HydrophobicContact CB-CE3 3.71Å; R242-W351 HydrophobicContact CB-CG 4.47Å; R242-W351 HydrophobicContact CB-CH2 3.73Å; R242-W351 HydrophobicContact CB-CZ2 3.77Å; R242-W351 HydrophobicContact CB-CZ3 3.7Å; R242-W351 HydrophobicContact CG-CD2 4.3Å; R242-W351 HydrophobicContact CG-CH2 4.22Å; R242-W351 HydrophobicContact CG-CZ2 3.82Å; L244-W351 HydrophobicContact CB-CE3 3.84Å; L244-W351 HydrophobicContact CB-CZ3 3.73Å; L244-W351 HydrophobicContact CD1-CZ3 4.11Å; L244-W351 HydrophobicContact CG-CZ3 4.45Å; F324-W351 AromaticContact CE1-CZ2 3.96Å; F324-W351 HydrophobicContact CE1-CZ2 3.96Å; F324-W351 HydrophobicContact CZ-CZ2 4.06Å; D326-W351 PolarHBondContact OD2-NE1 2.91Å; V332-W351 HydrophobicContact CB-CH2 3.83Å; V332-W351 HydrophobicContact CB-CZ3 4.33Å; V332-W351 HydrophobicContact CG2-CH2 3.58Å; V332-W351 HydrophobicContact CG2-CZ2 4.38Å; V332-W351 HydrophobicContact CG2-CZ3 4.5Å; L347-W351 HydrophobicContact CB-CE3 4.45Å; L347-W351 HydrophobicContact CB-CZ3 4.47Å; L347-W351 HydrophobicContact CD2-CH2 3.83Å; L347-W351 HydrophobicContact CD2-CZ2 3.53Å; L347-W351 HydrophobicContact CD2-CZ3 4.47Å; L347-W351 VanDerWaalsContact O-CB 3.29Å; L347-W351 WeakPolarHBondContact O-CB 3.3Å; L347-W351 VanDerWaalsContact O-CG 3.23Å; L347-W351 PolarHBondContact O-N 3.27Å; F348-W351 PolarHBondContact O-N 3.45Å; F348-W351 VanDerWaalsContact O-N 3.12Å; E349-W351 VanDerWaalsContact C-N 3.34Å; E349-W351 PolarHBondContact O-N 2.75Å; W351-T353 PolarHBondContact O-N 2.72Å; W351-T353 VanDerWaalsContact O-N 3.11Å; W351-D354 PolarHBondContact O-N 3.15Å; W351-N357 WeakPolarHBondContact CA-ND2 3.31Å; W351-N357 HydrophobicContact CB-CB 4.24Å; W351-N357 WeakPolarHBondContact CB-ND2 3.39Å; W351-N357 PolarHBondContact O-ND2 2.95Å
352C97.6Very high95.8Very high0 Ų030.2 Ų30.20%015%0.152CC..THydrogen-bonded Turntrans-62.3-23.5-170.864.90000114.9F348 E349 L391 K392 M393F348-C352 HydrophobicContact CD2-CB 4.49Å; F348-C352 HydrophobicContact CE1-CB 4.25Å; F348-C352 HydrophobicContact CE2-CB 4.21Å; F348-C352 HydrophobicContact CZ-CB 4.08Å; F348-C352 WeakPolarHBondContact O-CB 3.46Å; F348-C352 PolarHBondContact O-N 2.76Å; E349-C352 PolarHBondContact O-SG 3.34Å; E349-C352 VanDerWaalsContact O-SG 3.4Å; C352-L391 HydrophobicContact CB-CD1 4.08Å; C352-K392 PolarHBondContact O-N 3.36Å; C352-M393 WeakPolarHBondContact CA-SD 3.38Å; C352-M393 HydrophobicContact CB-CG 4.39Å; C352-M393 HydrophobicContact CB-SD 3.88Å; C352-M393 PolarHBondContact O-N 3.04Å
353T97.8Very high95.8Very high56 Ų5630.8 Ų30.834%0.34416%0.158SC..THydrogen-bonded Turntrans-85.2-10.9-175.864.20000114.5W351 L389 P390 K392W351-T353 PolarHBondContact O-N 2.72Å; W351-T353 VanDerWaalsContact O-N 3.11Å; T353-L389 HydrophobicContact CG2-CB 4.15Å; T353-L389 HydrophobicContact CG2-CD2 4.29Å; T353-P390 HydrophobicContact CG2-CG 4.06Å; T353-K392 WeakPolarHBondContact O-CD 3.42Å
354D97.9Very high95.7Very high44 Ų4431.9 Ų31.924%0.23516%0.161CC..  trans-103.2122.5176.7-170.5-24.2000110.8W351 R356 N357W351-D354 PolarHBondContact O-N 3.15Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 WeakPolarHBondContact OD1-CB 3.41Å; D354-R356 WeakPolarHBondContact OD1-CG 2.96Å; D354-R356 PolarHBondContact OD1-N 2.94Å; D354-R356 IonicContact OD1-NE 3.62Å; D354-R356 PolarHBondContact OD1-NE 3.14Å; D354-R356 IonicContact OD2-CZ 3.41Å; D354-R356 IonicContact OD2-NE 3.65Å; D354-R356 PolarHBondContact OD2-NE 2.77Å; D354-R356 VanDerWaalsContact OD2-NE 3.12Å; D354-R356 IonicContact OD2-NH2 2.72Å; D354-R356 PolarHBondContact OD2-NH2 3.34Å; D354-N357 PolarHBondContact O-N 2.65Å; D354-N357 VanDerWaalsContact O-N 3.12Å
355K97.8Very high95.6Very high161 Ų16132.2 Ų32.270%0.716%0.163SC*.THydrogen-bonded Turntrans-66.2-14.9-179.367.2176.4-177.2175.50114.9N357 K392K355-N357 VanDerWaalsContact C-N 3.34Å; K355-K392 WeakPolarHBondContact CA-O 3.44Å; K355-K392 HydrophobicContact CB-CB 4.33Å
356R98Very high95.3Very high93 Ų9331.5 Ų31.535%0.35116%0.161SC..THydrogen-bonded Turntrans-75.6-27.7174.6-64.2177.6-66.6167.83.3111.3R239 G241 D354R239-R356 HydrophobicContact CG-CB 4.48Å; R239-R356 PolarHBondContact NE-O 3.39Å; R239-R356 PolarHBondContact NH2-O 3.23Å; R239-R356 WeakPolarHBondContact O-CD 3.41Å; G241-R356 WeakPolarHBondContact CA-O 3.3Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 WeakPolarHBondContact OD1-CB 3.41Å; D354-R356 WeakPolarHBondContact OD1-CG 2.96Å; D354-R356 PolarHBondContact OD1-N 2.94Å; D354-R356 IonicContact OD1-NE 3.62Å; D354-R356 PolarHBondContact OD1-NE 3.14Å; D354-R356 IonicContact OD2-CZ 3.41Å; D354-R356 IonicContact OD2-NE 3.65Å; D354-R356 PolarHBondContact OD2-NE 2.77Å; D354-R356 VanDerWaalsContact OD2-NE 3.12Å; D354-R356 IonicContact OD2-NH2 2.72Å; D354-R356 PolarHBondContact OD2-NH2 3.34Å
357N98.5Very high95Very high4 Ų433.3 Ų33.32%0.02117%0.17CC..  trans-75161.6-178.8-60.9-23000111R239 R242 W351 D354 K355 M393 S394R239-N357 PolarHBondContact NH2-O 3.08Å; R242-N357 VanDerWaalsContact CD-OD1 3.24Å; R242-N357 WeakPolarHBondContact CD-OD1 3.48Å; R242-N357 PolarHBondContact N-OD1 2.75Å; R242-N357 WeakPolarHBondContact O-CA 2.91Å; W351-N357 WeakPolarHBondContact CA-ND2 3.31Å; W351-N357 HydrophobicContact CB-CB 4.24Å; W351-N357 WeakPolarHBondContact CB-ND2 3.39Å; W351-N357 PolarHBondContact O-ND2 2.95Å; D354-N357 PolarHBondContact O-N 2.65Å; D354-N357 VanDerWaalsContact O-N 3.12Å; K355-N357 VanDerWaalsContact C-N 3.34Å; N357-M393 HydrophobicContact CB-CB 4.03Å; N357-M393 HydrophobicContact CB-CE 4.14Å; N357-M393 WeakPolarHBondContact O-CA 3.32Å; N357-M393 WeakPolarHBondContact O-CB 3.47Å; N357-S394 PolarHBondContact O-N 3.15Å
358G98.3Very high94.5Very high0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-148.2149.2176.200000111.6R242 C243 L244 M393 S394R242-G358 PolarHBondContact O-N 3.28Å; C243-G358 WeakPolarHBondContact CA-O 3.21Å; L244-G358 PolarHBondContact N-O 3.12Å; G358-M393 WeakPolarHBondContact O-CE 3.28Å; G358-S394 CarbonylContact C-O 3.59Å; G358-S394 WeakPolarHBondContact CA-O 3.44Å; G358-S394 WeakPolarHBondContact CA-OG 3.34Å
359V98.3Very high94.2Very high0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-120.9128.1176.260.30000108.7L244 P246 F348 I361 I374 M393 S394 V395 D396L244-V359 HydrophobicContact CB-CB 4.33Å; L244-V359 HydrophobicContact CB-CG2 4.2Å; L244-V359 HydrophobicContact CD2-CG2 4.19Å; L244-V359 HydrophobicContact CG-CG2 4.26Å; L244-V359 CarbonylContact O-C 3.55Å; L244-V359 VanDerWaalsContact O-CA 3.29Å; L244-V359 WeakPolarHBondContact O-CA 3.31Å; P246-V359 HydrophobicContact CG-CG2 4.06Å; F348-V359 HydrophobicContact CE2-CG1 4.27Å; V359-I361 HydrophobicContact CG2-CD1 3.83Å; V359-I374 HydrophobicContact CG1-CD1 4.13Å; V359-M393 HydrophobicContact CB-CE 3.62Å; V359-M393 HydrophobicContact CB-SD 4.26Å; V359-M393 HydrophobicContact CG1-CE 4Å; V359-M393 HydrophobicContact CG1-CG 4.46Å; V359-M393 HydrophobicContact CG1-SD 4.09Å; V359-S394 PolarHBondContact N-O 3.28Å; V359-V395 HydrophobicContact CG1-CB 4.17Å; V359-V395 HydrophobicContact CG1-CG1 4.16Å; V359-V395 HydrophobicContact CG1-CG2 3.78Å; V359-D396 PolarHBondContact O-N 2.8Å
360I98.1Very high94.1Very high0 Ų035.4 Ų35.40%020%0.196CC..EExtended strand (participates in β ladder)trans-111107.7179.6-54.1177.3000109F229 T232 V233 I236 L244 I245 P246 A362 D396 I398F229-I360 HydrophobicContact CD2-CD1 4.43Å; F229-I360 HydrophobicContact CD2-CG2 4.08Å; F229-I360 HydrophobicContact CE2-CD1 4.33Å; F229-I360 HydrophobicContact CE2-CG2 4.18Å; T232-I360 HydrophobicContact CG2-CD1 3.67Å; T232-I360 HydrophobicContact CG2-CG1 3.94Å; V233-I360 HydrophobicContact CB-CD1 4.49Å; V233-I360 HydrophobicContact CG2-CD1 3.44Å; V233-I360 VanDerWaalsContact CG2-CD1 3.44Å; I236-I360 HydrophobicContact CD1-CD1 4.28Å; I236-I360 HydrophobicContact CD1-CG1 4.29Å; L244-I360 PolarHBondContact O-N 3.34Å; I245-I360 HydrophobicContact CG1-CB 4.41Å; P246-I360 WeakPolarHBondContact CD-O 3.38Å; I360-A362 PolarHBondContact O-N 3.11Å; I360-D396 CarbonylContact C-O 3.57Å; I360-D396 WeakPolarHBondContact CA-O 3.31Å; I360-D396 HydrophobicContact CG1-CB 4.48Å; I360-I398 HydrophobicContact CG2-CB 4.35Å; I360-I398 HydrophobicContact CG2-CD1 4Å; I360-I398 HydrophobicContact CG2-CG1 4.12Å
361I96.6Very high94.1Very high2 Ų231.9 Ų31.91%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-83.7111.4176.4-55.1-54.4000109P246 M339 V359 C365 A371 I374 D396 Y397 I398P246-I361 HydrophobicContact CG-CD1 3.4Å; M339-I361 HydrophobicContact SD-CD1 3.98Å; V359-I361 HydrophobicContact CG2-CD1 3.83Å; I361-C365 WeakPolarHBondContact CG2-SG 3.39Å; I361-A371 HydrophobicContact CD1-CB 4.3Å; I361-I374 HydrophobicContact CD1-CD1 4.19Å; I361-I374 HydrophobicContact CG1-CD1 4.43Å; I361-D396 PolarHBondContact N-O 3.19Å; I361-Y397 HydrophobicContact CB-CD2 4Å; I361-Y397 HydrophobicContact CG2-CD2 3.85Å; I361-Y397 HydrophobicContact CG2-CE2 4.15Å; I361-Y397 WeakPolarHBondContact O-CD2 3.29Å; I361-I398 PolarHBondContact O-N 3.26Å
362A93.7Very high94Very high3 Ų334.9 Ų34.93%0.02519%0.185CC..  trans-102.7-13.4-17400000114.9V247 L256 I360 I398 F400V247-A362 HydrophobicContact CG1-CB 4.38Å; L256-A362 HydrophobicContact CD1-CB 3.76Å; I360-A362 PolarHBondContact O-N 3.11Å; A362-I398 VanDerWaalsContact CA-O 3.31Å; A362-I398 WeakPolarHBondContact CA-O 3.25Å; A362-F400 HydrophobicContact CB-CD2 4.3Å; A362-F400 CarbonylContact O-C 3.45Å; A362-F400 WeakPolarHBondContact O-CA 3.45Å; A362-F400 PolarHBondContact O-N 3.41Å
363G89.5Confident93.8Very high27 Ų2739.1 Ų39.128%0.27821%0.205SC..SBendtrans-108.2172.5-176.900000113.6Y397 S401G363-Y397 WeakPolarHBondContact O-CE2 3.48Å; G363-S401 VanDerWaalsContact C-OG 3.24Å
364Y87.9Confident93.8Very high50 Ų5036.5 Ų36.520%0.19619%0.188CC..  trans-72.2138.2170.6-177.4-89.6000108.2V30 T213 Y214 V366 S401V30-Y364 HydrophobicContact CB-CE1 3.95Å; V30-Y364 HydrophobicContact CG1-CD1 4.01Å; V30-Y364 HydrophobicContact CG1-CE1 3.74Å; V30-Y364 HydrophobicContact CG2-CE1 3.99Å; T213-Y364 HydrophobicContact CG2-CD2 3.88Å; T213-Y364 HydrophobicContact CG2-CE2 4.11Å; T213-Y364 HydrophobicContact CG2-CG 4.23Å; Y214-Y364 HydrophobicContact CE1-CD2 4.49Å; Y214-Y364 AromaticContact CE2-CD2 3.99Å; Y214-Y364 HydrophobicContact CE2-CD2 3.99Å; Y214-Y364 AromaticContact CZ-CD2 3.79Å; Y364-V366 HydrophobicContact CD1-CG2 4.26Å; Y364-V366 HydrophobicContact CE1-CG2 4.23Å; Y364-S401 PolarHBondContact N-OG 3.15Å
365C89.9Confident93.6Very high7 Ų737.5 Ų37.55%0.04719%0.193CC..  trans-113.1116.7-177.8-680000109.8I361 A371 K372 M375I361-C365 WeakPolarHBondContact CG2-SG 3.39Å; C365-A371 HydrophobicContact CB-CB 4.4Å; C365-A371 VanDerWaalsContact SG-CB 3.53Å; C365-K372 HydrophobicContact CB-CB 3.96Å; C365-K372 HydrophobicContact CB-CD 4.21Å; C365-M375 HydrophobicContact CB-SD 4.46Å
366V87.5Confident93.4Very high7 Ų734 Ų344%0.04219%0.188CC..  trans-73.4145.6177.9-179.10000109.6V30 H51 M338 Y364 T369 K372V30-V366 HydrophobicContact CG1-CG2 4.19Å; H51-V366 VanDerWaalsContact CE1-CG1 3.49Å; H51-V366 WeakPolarHBondContact CE1-CG1 3.45Å; M338-V366 HydrophobicContact CE-CB 4.43Å; M338-V366 HydrophobicContact CE-CG2 3.76Å; M338-V366 HydrophobicContact SD-CB 4.23Å; M338-V366 HydrophobicContact SD-CG2 4.19Å; Y364-V366 HydrophobicContact CD1-CG2 4.26Å; Y364-V366 HydrophobicContact CE1-CG2 4.23Å; V366-T369 HydrophobicContact CB-CG2 4.34Å; V366-T369 WeakPolarHBondContact O-CB 3.24Å; V366-T369 VanDerWaalsContact O-CG2 3.28Å; V366-T369 WeakPolarHBondContact O-CG2 3.46Å; V366-T369 PolarHBondContact O-N 3.2Å; V366-T369 PolarHBondContact O-OG1 3.38Å; V366-K372 WeakPolarHBondContact O-CB 3.36Å
367E86Confident93.1Very high130 Ų13037 Ų3761%0.60721%0.206SC*.THydrogen-bonded Turntrans-57.1145.3173.2-71.2-63.1161.800111.6K372E367-K372 WeakPolarHBondContact OE1-CE 3.4Å; E367-K372 IonicContact OE1-NZ 3.75Å
368G85.7Confident93Very high60 Ų6037.9 Ų37.962%0.61921%0.212SC*.THydrogen-bonded Turntrans84.27.6-174.900000115.1Q340Q340-G368 PolarHBondContact NE2-O 2.99Å; Q340-G368 VanDerWaalsContact NE2-O 3.14Å
369T91.3Very high92.9Very high5 Ų546.4 Ų46.43%0.03125%0.252CS..SBendtrans-105.6152.5177.567.60000113M338 Q340 V366 A371 K372 H373M338-T369 HydrophobicContact CB-CG2 3.94Å; M338-T369 HydrophobicContact CG-CG2 4.35Å; M338-T369 HydrophobicContact SD-CG2 3.74Å; Q340-T369 HydrophobicContact CG-CG2 4.46Å; V366-T369 HydrophobicContact CB-CG2 4.34Å; V366-T369 WeakPolarHBondContact O-CB 3.24Å; V366-T369 VanDerWaalsContact O-CG2 3.28Å; V366-T369 WeakPolarHBondContact O-CG2 3.46Å; V366-T369 PolarHBondContact O-N 3.2Å; V366-T369 PolarHBondContact O-OG1 3.38Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.44Å; T369-K372 PolarHBondContact O-N 2.86Å; T369-K372 WeakPolarHBondContact OG1-CB 3.46Å; T369-K372 PolarHBondContact OG1-N 3.02Å; T369-H373 PolarHBondContact O-N 3.19Å
370L94.2Very high92.8Very high14 Ų1450.9 Ų50.97%0.07327%0.273CS..Hα-helixtrans-58.3-44.5174.9178.965000111.5M339 R345 F348 K372 H373 I374M339-L370 HydrophobicContact CB-CB 4.29Å; M339-L370 HydrophobicContact CB-CD2 3.95Å; M339-L370 HydrophobicContact CB-CG 4.44Å; M339-L370 HydrophobicContact CE-CD2 4.12Å; R345-L370 VanDerWaalsContact CD-CD2 3.44Å; F348-L370 HydrophobicContact CD1-CD2 3.88Å; F348-L370 HydrophobicContact CE1-CD2 3.97Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 2.99Å; L370-H373 WeakPolarHBondContact O-CB 3.11Å; L370-H373 PolarHBondContact O-N 2.87Å; L370-H373 VanDerWaalsContact O-N 3.07Å; L370-I374 HydrophobicContact CD1-CG2 3.85Å; L370-I374 HydrophobicContact CG-CG2 4.22Å; L370-I374 PolarHBondContact O-N 3.48Å
371A94.8Very high92.7Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-58.5-38179.200000112.3M338 M339 I361 C365 T369 I374 M375M338-A371 HydrophobicContact CB-CB 4.45Å; M338-A371 PolarHBondContact O-N 2.93Å; M339-A371 HydrophobicContact SD-CB 4.22Å; I361-A371 HydrophobicContact CD1-CB 4.3Å; C365-A371 HydrophobicContact CB-CB 4.4Å; C365-A371 VanDerWaalsContact SG-CB 3.53Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.44Å; A371-I374 VanDerWaalsContact O-CG1 3.32Å; A371-I374 WeakPolarHBondContact O-CG1 3.39Å; A371-M375 WeakPolarHBondContact O-CG 3.35Å
372K94.3Very high92.6Very high69 Ų6954.5 Ų54.530%0.330%0.295SS..Hα-helixtrans-69.7-40.2173.9-173.357.6169.2-1780112.4C365 V366 E367 T369 L370 M375C365-K372 HydrophobicContact CB-CB 3.96Å; C365-K372 HydrophobicContact CB-CD 4.21Å; V366-K372 WeakPolarHBondContact O-CB 3.36Å; E367-K372 WeakPolarHBondContact OE1-CE 3.4Å; E367-K372 IonicContact OE1-NZ 3.75Å; T369-K372 PolarHBondContact O-N 2.86Å; T369-K372 WeakPolarHBondContact OG1-CB 3.46Å; T369-K372 PolarHBondContact OG1-N 3.02Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 2.99Å; K372-M375 HydrophobicContact CD-SD 4.42Å; K372-M375 PolarHBondContact O-N 3.2Å
373H94.5Very high92.6Very high90 Ų9054.7 Ų54.742%0.41730%0.296SS..Hα-helixtrans-63.3-44.8-179.6178.551.3000112.6T369 L370 M375 S376T369-H373 PolarHBondContact O-N 3.19Å; L370-H373 WeakPolarHBondContact O-CB 3.11Å; L370-H373 PolarHBondContact O-N 2.87Å; L370-H373 VanDerWaalsContact O-N 3.07Å; H373-M375 PolarHBondContact O-N 2.72Å; H373-S376 WeakPolarHBondContact O-CB 3.48Å; H373-S376 PolarHBondContact O-N 3.31Å; H373-S376 PolarHBondContact O-OG 3.47Å
374I96.3Very high92.6Very high0 Ų057.1 Ų57.10%030%0.301CS..Hα-helixtrans-68.1-20.2-17763.8172.9000113.4M339 F348 V359 I361 L370 A371 S376 E377 I381 L391 V395M339-I374 HydrophobicContact CE-CD1 4.34Å; M339-I374 HydrophobicContact SD-CD1 4.22Å; F348-I374 HydrophobicContact CE1-CG2 4.43Å; F348-I374 HydrophobicContact CE2-CD1 4.11Å; F348-I374 HydrophobicContact CZ-CD1 4.38Å; F348-I374 HydrophobicContact CZ-CG2 3.81Å; V359-I374 HydrophobicContact CG1-CD1 4.13Å; I361-I374 HydrophobicContact CD1-CD1 4.19Å; I361-I374 HydrophobicContact CG1-CD1 4.43Å; L370-I374 HydrophobicContact CD1-CG2 3.85Å; L370-I374 HydrophobicContact CG-CG2 4.22Å; L370-I374 PolarHBondContact O-N 3.48Å; A371-I374 VanDerWaalsContact O-CG1 3.32Å; A371-I374 WeakPolarHBondContact O-CG1 3.39Å; I374-S376 PolarHBondContact O-N 3.41Å; I374-E377 PolarHBondContact O-N 2.75Å; I374-I381 HydrophobicContact CG2-CG2 4.05Å; I374-L391 HydrophobicContact CB-CD2 4.39Å; I374-L391 HydrophobicContact CG2-CD2 4.44Å; I374-V395 HydrophobicContact CD1-CG1 4.12Å; I374-V395 HydrophobicContact CG1-CG1 4.1Å
375M93.9Very high92.7Very high66 Ų6658.4 Ų58.433%0.32532%0.317SS..THydrogen-bonded Turntrans-66.4-16.3173-66.1177.572.900112.9C365 A371 K372 H373 Y397C365-M375 HydrophobicContact CB-SD 4.46Å; A371-M375 WeakPolarHBondContact O-CG 3.35Å; K372-M375 HydrophobicContact CD-SD 4.42Å; K372-M375 PolarHBondContact O-N 3.2Å; H373-M375 PolarHBondContact O-N 2.72Å; M375-Y397 HydrophobicContact CE-CD1 3.89Å; M375-Y397 HydrophobicContact CE-CD2 3.51Å; M375-Y397 HydrophobicContact CE-CE1 4.36Å; M375-Y397 HydrophobicContact CE-CE2 4.02Å; M375-Y397 HydrophobicContact CE-CG 3.43Å; M375-Y397 VanDerWaalsContact CE-CG 3.43Å; M375-Y397 HydrophobicContact SD-CD2 4.06Å; M375-Y397 HydrophobicContact SD-CE2 4.45Å
376S93.7Very high92.7Very high86 Ų8663 Ų6360%0.60135%0.35SS*.THydrogen-bonded Turntrans-84.43.3172.368.50000113.8H373 I374H373-S376 WeakPolarHBondContact O-CB 3.48Å; H373-S376 PolarHBondContact O-N 3.31Å; H373-S376 PolarHBondContact O-OG 3.47Å; I374-S376 PolarHBondContact O-N 3.41Å
377E92.9Very high93Very high158 Ų15868.6 Ų68.674%0.73838%0.375SS*.  trans52.256.7-178.6-62-179.5-141.100113.5I374I374-E377 PolarHBondContact O-N 2.75Å
378P96.1Very high93.5Very high22 Ų2269.1 Ų69.114%0.14338%0.375CS..  trans-66.3148177.830.8-36.3000111.4E380 I381 L391P378-E380 VanDerWaalsContact C-N 3.3Å; P378-E380 PolarHBondContact O-N 2.73Å; P378-I381 HydrophobicContact CG-CG2 4.15Å; P378-L391 HydrophobicContact CG-CD2 3.95Å; P378-L391 WeakPolarHBondContact O-CB 3.31Å
379E95.7Very high94Very high178 Ų17868.1 Ų68.183%0.83236%0.355SS*.SBendtrans-65.7-34176.6-64.8-176.5173.600112.5P390 L391E379-P390 WeakPolarHBondContact O-CA 3.37Å; E379-L391 PolarHBondContact O-N 3.02Å
380E96Very high94.3Very high95 Ų9570.1 Ų70.144%0.44437%0.369SS..EExtended strand (participates in β ladder)trans-135.8147-179.3-61.6-176.6141.200110.9P378 K388 L389P378-E380 VanDerWaalsContact C-N 3.3Å; P378-E380 PolarHBondContact O-N 2.73Å; E380-K388 WeakPolarHBondContact OE2-CD 3.19Å; E380-K388 IonicContact OE2-NZ 3.69Å; E380-K388 PolarHBondContact OE2-NZ 3.28Å; E380-L389 CarbonylContact C-O 3.58Å; E380-L389 VanDerWaalsContact CA-O 3.26Å; E380-L389 WeakPolarHBondContact CA-O 3.44Å
381I96.3Very high94.5Very high0 Ų070.8 Ų70.80%037%0.372CS..EExtended strand (participates in β ladder)trans-112.9151.9170.861.289000110.6F348 I374 P378 T383 K388 L389 L391F348-I381 HydrophobicContact CE1-CB 4.43Å; F348-I381 HydrophobicContact CE1-CD1 4.01Å; F348-I381 HydrophobicContact CE1-CG1 3.9Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CZ-CG1 4.46Å; F348-I381 HydrophobicContact CZ-CG2 4.36Å; I374-I381 HydrophobicContact CG2-CG2 4.05Å; P378-I381 HydrophobicContact CG-CG2 4.15Å; I381-T383 HydrophobicContact CD1-CG2 4.39Å; I381-K388 WeakPolarHBondContact O-CA 3.37Å; I381-L389 HydrophobicContact CD1-CB 3.96Å; I381-L389 HydrophobicContact CD1-CD1 4.35Å; I381-L389 HydrophobicContact CG1-CB 4.25Å; I381-L389 PolarHBondContact N-O 3.12Å; I381-L389 PolarHBondContact O-N 2.95Å; I381-L391 HydrophobicContact CG2-CB 4.33Å; I381-L391 HydrophobicContact CG2-CD2 4.31Å
382T95.1Very high94.6Very high78 Ų7876.8 Ų76.848%0.47940%0.398SS..EExtended strand (participates in β ladder)trans-94.2126175.1-53.40000110R345 Q387R345-T382 PolarHBondContact NH2-O 3.41Å; T382-Q387 CarbonylContact C-O 3.45Å; T382-Q387 WeakPolarHBondContact CA-O 3.49Å
383T93.4Very high94.8Very high6 Ų673.9 Ų73.94%0.03739%0.386CS..  trans-75.6166177.269.30000112.1E349 I381 S385 S386 Q387 L389E349-T383 HydrophobicContact CG-CG2 4.2Å; E349-T383 WeakPolarHBondContact OE1-CA 3.35Å; E349-T383 WeakPolarHBondContact OE1-CB 3.42Å; E349-T383 WeakPolarHBondContact OE2-CB 3.05Å; I381-T383 HydrophobicContact CD1-CG2 4.39Å; T383-S385 PolarHBondContact O-N 2.96Å; T383-S385 PolarHBondContact OG1-N 3Å; T383-S385 PolarHBondContact OG1-OG 2.93Å; T383-S386 PolarHBondContact O-N 2.8Å; T383-S386 PolarHBondContact OG1-N 3Å; T383-Q387 HydrophobicContact CG2-CB 4.16Å; T383-Q387 PolarHBondContact N-O 2.7Å; T383-Q387 WeakPolarHBondContact OG1-CA 3.38Å; T383-Q387 WeakPolarHBondContact OG1-CB 3.27Å; T383-Q387 PolarHBondContact OG1-N 2.67Å; T383-Q387 PolarHBondContact OG1-O 2.95Å; T383-L389 HydrophobicContact CG2-CD1 3.44Å; T383-L389 VanDerWaalsContact CG2-CD1 3.44Å; T383-L389 HydrophobicContact CG2-CG 3.59Å
384M89.2Confident95Very high79 Ų7971.1 Ų71.139%0.38938%0.377SS..THydrogen-bonded Turntrans-59.5-29.5171.4-62.2-171.271.500112.6N122 R345 E349 S386N122-M384 VanDerWaalsContact ND2-CE 3.27Å; N122-M384 WeakPolarHBondContact ND2-CE 2.82Å; R345-M384 HydrophobicContact CB-SD 4.4Å; R345-M384 HydrophobicContact CG-CG 3.78Å; R345-M384 HydrophobicContact CG-SD 3.58Å; R345-M384 VanDerWaalsContact CG-SD 3.58Å; E349-M384 PolarHBondContact OE1-N 3.34Å; M384-S386 PolarHBondContact O-N 2.65Å
385S90.3Very high95Very high77 Ų7772.7 Ų72.754%0.53839%0.386SS..THydrogen-bonded Turntrans-8412174.257.40000113.9T383 Q387T383-S385 PolarHBondContact O-N 2.96Å; T383-S385 PolarHBondContact OG1-N 3Å; T383-S385 PolarHBondContact OG1-OG 2.93Å; S385-Q387 PolarHBondContact O-N 3.07Å
386S90.3Very high95.2Very high104 Ų10472 Ų7273%0.72738%0.384SS*.SBendtrans61.922-179.1-55.80000115.1T383 M384T383-S386 PolarHBondContact O-N 2.8Å; T383-S386 PolarHBondContact OG1-N 3Å; M384-S386 PolarHBondContact O-N 2.65Å
387Q93.4Very high95.3Very high123 Ų12371.4 Ų71.458%0.57537%0.369SS*.  trans-85.6158.5170-60.3-177.7-5.400110.1T382 T383 S385T382-Q387 CarbonylContact C-O 3.45Å; T382-Q387 WeakPolarHBondContact CA-O 3.49Å; T383-Q387 HydrophobicContact CG2-CB 4.16Å; T383-Q387 PolarHBondContact N-O 2.7Å; T383-Q387 WeakPolarHBondContact OG1-CA 3.38Å; T383-Q387 WeakPolarHBondContact OG1-CB 3.27Å; T383-Q387 PolarHBondContact OG1-N 2.67Å; T383-Q387 PolarHBondContact OG1-O 2.95Å; S385-Q387 PolarHBondContact O-N 3.07Å
388K95.7Very high95.4Very high142 Ų14263.9 Ų63.962%0.61733%0.334SS*.EExtended strand (participates in β ladder)trans-104129173.7-66.6-161.2175.8-169.70110.6E380 I381E380-K388 WeakPolarHBondContact OE2-CD 3.19Å; E380-K388 IonicContact OE2-NZ 3.69Å; E380-K388 PolarHBondContact OE2-NZ 3.28Å; I381-K388 WeakPolarHBondContact O-CA 3.37Å
389L96.8Very high95.2Very high38 Ų3863.5 Ų63.520%0.19933%0.332CS..EExtended strand (participates in β ladder)trans-118.8138.5175.7-64.3178.7000110.3E349 T353 E380 I381 T383E349-L389 HydrophobicContact CB-CD1 4.2Å; E349-L389 WeakPolarHBondContact O-CD1 3.38Å; T353-L389 HydrophobicContact CG2-CB 4.15Å; T353-L389 HydrophobicContact CG2-CD2 4.29Å; E380-L389 CarbonylContact C-O 3.58Å; E380-L389 VanDerWaalsContact CA-O 3.26Å; E380-L389 WeakPolarHBondContact CA-O 3.44Å; I381-L389 HydrophobicContact CD1-CB 3.96Å; I381-L389 HydrophobicContact CD1-CD1 4.35Å; I381-L389 HydrophobicContact CG1-CB 4.25Å; I381-L389 PolarHBondContact N-O 3.12Å; I381-L389 PolarHBondContact O-N 2.95Å; T383-L389 HydrophobicContact CG2-CD1 3.44Å; T383-L389 VanDerWaalsContact CG2-CD1 3.44Å; T383-L389 HydrophobicContact CG2-CG 3.59Å
390P97.6Very high95Very high48 Ų4855.6 Ų55.631%0.31229%0.294SS..EExtended strand (participates in β ladder)trans-70.9131.1175.429-34.3000110.9T353 E379 K392T353-P390 HydrophobicContact CG2-CG 4.06Å; E379-P390 WeakPolarHBondContact O-CA 3.37Å; P390-K392 HydrophobicContact CB-CG 4.46Å; P390-K392 PolarHBondContact O-N 2.7Å
391L97.9Very high94.3Very high27 Ų2751.3 Ų51.314%0.14128%0.275CS..  trans-85.1104.1175.8-176.361.2000109.7F348 C352 I374 P378 E379 I381 M393 V395F348-L391 HydrophobicContact CE2-CD1 4.06Å; F348-L391 HydrophobicContact CZ-CD1 3.75Å; C352-L391 HydrophobicContact CB-CD1 4.08Å; I374-L391 HydrophobicContact CB-CD2 4.39Å; I374-L391 HydrophobicContact CG2-CD2 4.44Å; P378-L391 HydrophobicContact CG-CD2 3.95Å; P378-L391 WeakPolarHBondContact O-CB 3.31Å; E379-L391 PolarHBondContact O-N 3.02Å; I381-L391 HydrophobicContact CG2-CB 4.33Å; I381-L391 HydrophobicContact CG2-CD2 4.31Å; L391-M393 HydrophobicContact CD1-CG 3.86Å; L391-V395 HydrophobicContact CD1-CG2 4.44Å; L391-V395 HydrophobicContact CD2-CG2 4.22Å
392K97.7Very high94Very high126 Ų12652.4 Ų52.455%0.54828%0.284SS..  trans-115.9-22.6179.1-59-168.2-166.7160.80114C352 T353 K355 P390C352-K392 PolarHBondContact O-N 3.36Å; T353-K392 WeakPolarHBondContact O-CD 3.42Å; K355-K392 WeakPolarHBondContact CA-O 3.44Å; K355-K392 HydrophobicContact CB-CB 4.33Å; P390-K392 HydrophobicContact CB-CG 4.46Å; P390-K392 PolarHBondContact O-N 2.7Å
393M98.1Very high93.9Very high8 Ų849.3 Ų49.34%0.03926%0.264CS..SBendtrans-62.8152.3175.674.4-176.3-5300111F348 C352 N357 G358 V359 L391F348-M393 HydrophobicContact CD2-SD 3.56Å; F348-M393 VanDerWaalsContact CD2-SD 3.56Å; F348-M393 HydrophobicContact CE2-SD 3.46Å; F348-M393 WeakPolarHBondContact CE2-SD 3.48Å; C352-M393 WeakPolarHBondContact CA-SD 3.38Å; C352-M393 HydrophobicContact CB-CG 4.39Å; C352-M393 HydrophobicContact CB-SD 3.88Å; C352-M393 PolarHBondContact O-N 3.04Å; N357-M393 HydrophobicContact CB-CB 4.03Å; N357-M393 HydrophobicContact CB-CE 4.14Å; N357-M393 WeakPolarHBondContact O-CA 3.32Å; N357-M393 WeakPolarHBondContact O-CB 3.47Å; G358-M393 WeakPolarHBondContact O-CE 3.28Å; V359-M393 HydrophobicContact CB-CE 3.62Å; V359-M393 HydrophobicContact CB-SD 4.26Å; V359-M393 HydrophobicContact CG1-CE 4Å; V359-M393 HydrophobicContact CG1-CG 4.46Å; V359-M393 HydrophobicContact CG1-SD 4.09Å; L391-M393 HydrophobicContact CD1-CG 3.86Å
394S98.1Very high94Very high32 Ų3249.1 Ų49.122%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-70.6143.3174.164.30000111.1R239 N357 G358 V359 D396R239-S394 PolarHBondContact NH2-OG 2.86Å; N357-S394 PolarHBondContact O-N 3.15Å; G358-S394 CarbonylContact C-O 3.59Å; G358-S394 WeakPolarHBondContact CA-O 3.44Å; G358-S394 WeakPolarHBondContact CA-OG 3.34Å; V359-S394 PolarHBondContact N-O 3.28Å; S394-D396 PolarHBondContact OG-OD2 3Å
395V97.8Very high94.2Very high33 Ų3345.8 Ų45.820%0.225%0.247CC..EExtended strand (participates in β ladder)trans-119113.2175.8-178.10000107.8V359 I374 L391V359-V395 HydrophobicContact CG1-CB 4.17Å; V359-V395 HydrophobicContact CG1-CG1 4.16Å; V359-V395 HydrophobicContact CG1-CG2 3.78Å; I374-V395 HydrophobicContact CD1-CG1 4.12Å; I374-V395 HydrophobicContact CG1-CG1 4.1Å; L391-V395 HydrophobicContact CD1-CG2 4.44Å; L391-V395 HydrophobicContact CD2-CG2 4.22Å
396D97.4Very high94.5Very high52 Ų5245.2 Ų45.228%0.27823%0.233SC..EExtended strand (participates in β ladder)trans-118.3133.3-177-70.7-84.3000110.2T232 V359 I360 I361 S394T232-D396 HydrophobicContact CG2-CB 3.98Å; V359-D396 PolarHBondContact O-N 2.8Å; I360-D396 CarbonylContact C-O 3.57Å; I360-D396 WeakPolarHBondContact CA-O 3.31Å; I360-D396 HydrophobicContact CG1-CB 4.48Å; I361-D396 PolarHBondContact N-O 3.19Å; S394-D396 PolarHBondContact OG-OD2 3Å
397Y95.4Very high94.8Very high74 Ų7446.1 Ų46.129%0.2923%0.226SC..EExtended strand (participates in β ladder)trans-109.6117.5176.8-178.9-105.9000111.2Y214 R228 I361 G363 M375Y214-Y397 PolarHBondContact OH-OH 3.45Å; R228-Y397 PolarHBondContact NH1-O 3Å; R228-Y397 VanDerWaalsContact NH1-O 3.15Å; I361-Y397 HydrophobicContact CB-CD2 4Å; I361-Y397 HydrophobicContact CG2-CD2 3.85Å; I361-Y397 HydrophobicContact CG2-CE2 4.15Å; I361-Y397 WeakPolarHBondContact O-CD2 3.29Å; G363-Y397 WeakPolarHBondContact O-CE2 3.48Å; M375-Y397 HydrophobicContact CE-CD1 3.89Å; M375-Y397 HydrophobicContact CE-CD2 3.51Å; M375-Y397 HydrophobicContact CE-CE1 4.36Å; M375-Y397 HydrophobicContact CE-CE2 4.02Å; M375-Y397 HydrophobicContact CE-CG 3.43Å; M375-Y397 VanDerWaalsContact CE-CG 3.43Å; M375-Y397 HydrophobicContact SD-CD2 4.06Å; M375-Y397 HydrophobicContact SD-CE2 4.45Å
398I94.9Very high95Very high0 Ų041.6 Ų41.60%021%0.205CC..  trans-135.395.3-177.5-48.8-177.9000108.3R225 R228 F229 I360 I361 A362 F400R225-I398 HydrophobicContact CG-CG2 3.8Å; R228-I398 HydrophobicContact CG-CD1 4.26Å; F229-I398 HydrophobicContact CB-CD1 4.25Å; F229-I398 HydrophobicContact CB-CG2 4.25Å; F229-I398 HydrophobicContact CD2-CD1 4.45Å; I360-I398 HydrophobicContact CG2-CB 4.35Å; I360-I398 HydrophobicContact CG2-CD1 4Å; I360-I398 HydrophobicContact CG2-CG1 4.12Å; I361-I398 PolarHBondContact O-N 3.26Å; A362-I398 VanDerWaalsContact CA-O 3.31Å; A362-I398 WeakPolarHBondContact CA-O 3.25Å; I398-F400 HydrophobicContact CB-CE2 4.42Å; I398-F400 HydrophobicContact CG2-CD2 4.23Å; I398-F400 HydrophobicContact CG2-CE2 3.65Å; I398-F400 VanDerWaalsContact O-CD2 3.29Å; I398-F400 WeakPolarHBondContact O-CD2 3.4Å; I398-F400 PolarHBondContact O-N 3.41Å
399S91.6Very high95.1Very high14 Ų1434.9 Ų34.910%0.09818%0.176CC..  trans-71112.7-169.2-174.10000113.6Y214 R225 S401Y214-S399 PolarHBondContact OH-OG 3.43Å; R225-S399 WeakPolarHBondContact CD-O 3.45Å; R225-S399 PolarHBondContact NH1-O 2.64Å; R225-S399 VanDerWaalsContact NH1-O 3.12Å; S399-S401 PolarHBondContact OG-OG 3.47Å
400F92.3Very high95.1Very high11 Ų1133.2 Ų33.25%0.04817%0.167CC..  trans-109.420.3166.7-73.8-91.4000111.8R225 E226 F229 R252 L256 I259 A362 I398 A402R225-F400 HydrophobicContact CG-CE1 4.08Å; R225-F400 HydrophobicContact CG-CE2 3.93Å; R225-F400 HydrophobicContact CG-CZ 3.67Å; E226-F400 HydrophobicContact CG-CE1 4.33Å; F229-F400 HydrophobicContact CB-CE2 3.77Å; F229-F400 HydrophobicContact CB-CZ 3.83Å; F229-F400 HydrophobicContact CD1-CZ 4.41Å; F229-F400 AromaticContact CD2-CE2 3.94Å; F229-F400 HydrophobicContact CD2-CE2 3.94Å; F229-F400 AromaticContact CG-CE2 3.83Å; F229-F400 HydrophobicContact CG-CE2 3.83Å; F229-F400 HydrophobicContact CG-CZ 4.03Å; R252-F400 WeakPolarHBondContact CD-O 3.41Å; R252-F400 WeakPolarHBondContact CG-O 3.35Å; L256-F400 HydrophobicContact CD2-CB 4.27Å; L256-F400 HydrophobicContact CD2-CD1 4Å; L256-F400 HydrophobicContact CD2-CD2 3.64Å; L256-F400 HydrophobicContact CD2-CE1 4.2Å; L256-F400 HydrophobicContact CD2-CE2 3.85Å; L256-F400 HydrophobicContact CD2-CG 3.72Å; L256-F400 HydrophobicContact CD2-CZ 4.11Å; I259-F400 HydrophobicContact CD1-CD1 4.37Å; I259-F400 HydrophobicContact CD1-CE1 3.61Å; I259-F400 HydrophobicContact CD1-CZ 4.1Å; A362-F400 HydrophobicContact CB-CD2 4.3Å; A362-F400 CarbonylContact O-C 3.45Å; A362-F400 WeakPolarHBondContact O-CA 3.45Å; A362-F400 PolarHBondContact O-N 3.41Å; I398-F400 HydrophobicContact CB-CE2 4.42Å; I398-F400 HydrophobicContact CG2-CD2 4.23Å; I398-F400 HydrophobicContact CG2-CE2 3.65Å; I398-F400 VanDerWaalsContact O-CD2 3.29Å; I398-F400 WeakPolarHBondContact O-CD2 3.4Å; I398-F400 PolarHBondContact O-N 3.41Å; F400-A402 PolarHBondContact O-N 3.15Å
401S81.6Confident95.1Very high6 Ų635 Ų354%0.04217%0.171CC..  trans-60.4-13.8-175.9-50.80000114.5H165 Y214 G363 Y364 S399 H403H165-S401 PolarHBondContact CE1-O 2.98Å; H165-S401 VanDerWaalsContact CE1-O 3.26Å; H165-S401 PolarHBondContact ND1-O 3.06Å; Y214-S401 PolarHBondContact OH-OG 3.35Å; G363-S401 VanDerWaalsContact C-OG 3.24Å; Y364-S401 PolarHBondContact N-OG 3.15Å; S399-S401 PolarHBondContact OG-OG 3.47Å; S401-H403 WeakPolarHBondContact CB-CD2 3.3Å; S401-H403 PolarHBondContact O-CD2 2.79Å; S401-H403 PolarHBondContact O-N 2.99Å; S401-H403 PolarHBondContact O-NE2 2.96Å
402A88.8Confident95.1Very high22 Ų2233.7 Ų33.718%0.18217%0.165CC..  trans53.747.9176.500000113.6H165 S188 F400H165-A402 PolarHBondContact ND1-O 3.47Å; S188-A402 VanDerWaalsContact CB-O 3.28Å; S188-A402 WeakPolarHBondContact CB-O 3.48Å; F400-A402 PolarHBondContact O-N 3.15Å
403H94Very high95.1Very high14 Ų1427.8 Ų27.87%0.06514%0.139CC..  trans-105.6164.5167-60.6-92.9000110H165 D186 E211 T213 Y214 H219 S401H165-H403 AromaticContact CE1-CE1 3.58Å; H165-H403 AromaticContact CE1-NE2 3.71Å; D186-H403 IonicContact OD2-CE1 3.23Å; D186-H403 PolarHBondContact OD2-CE1 2.95Å; D186-H403 VanDerWaalsContact OD2-CE1 3.28Å; D186-H403 IonicContact OD2-ND1 3.29Å; E211-H403 IonicContact OE1-CG 3.79Å; E211-H403 IonicContact OE1-ND1 2.89Å; E211-H403 PolarHBondContact OE1-ND1 2.88Å; E211-H403 IonicContact OE2-CE1 3.35Å; E211-H403 IonicContact OE2-CG 2.66Å; E211-H403 IonicContact OE2-ND1 2.67Å; E211-H403 PolarHBondContact OE2-ND1 2.69Å; T213-H403 PolarHBondContact OG1-ND1 2.83Å; Y214-H403 HydrophobicContact CD2-CB 3.68Å; Y214-H403 AromaticContact CD2-CD2 3.9Å; Y214-H403 AromaticContact CD2-CG 4Å; Y214-H403 HydrophobicContact CE2-CB 4.28Å; Y214-H403 AromaticContact CE2-CD2 3.63Å; H219-H403 PolarHBondContact NE2-O 2.97Å; S401-H403 WeakPolarHBondContact CB-CD2 3.3Å; S401-H403 PolarHBondContact O-CD2 2.79Å; S401-H403 PolarHBondContact O-N 2.99Å; S401-H403 PolarHBondContact O-NE2 2.96Å
404T95.3Very high95Very high2 Ų232.9 Ų32.91%0.01216%0.158CC..  trans-68.8142.5171.848.30000113F187 R189 Y214 Q408 T409F187-T404 HydrophobicContact CD1-CG2 4.19Å; F187-T404 HydrophobicContact CD2-CG2 3.94Å; F187-T404 HydrophobicContact CE1-CG2 3.78Å; F187-T404 VanDerWaalsContact CE1-OG1 3.23Å; F187-T404 WeakPolarHBondContact CE1-OG1 3.44Å; F187-T404 HydrophobicContact CE2-CG2 3.51Å; F187-T404 HydrophobicContact CG-CG2 4.26Å; F187-T404 HydrophobicContact CZ-CG2 3.41Å; F187-T404 VanDerWaalsContact CZ-CG2 3.41Å; F187-T404 WeakPolarHBondContact CZ-OG1 3.47Å; F187-T404 PolarHBondContact O-N 3.26Å; R189-T404 HydrophobicContact CB-CG2 4.14Å; R189-T404 HydrophobicContact CG-CG2 3.91Å; Y214-T404 WeakPolarHBondContact CB-O 3.33Å; T404-Q408 HydrophobicContact CG2-CB 3.79Å; T404-T409 WeakPolarHBondContact CB-OG1 3.27Å; T404-T409 PolarHBondContact OG1-OG1 2.78Å
405D94.3Very high95Very high8 Ų833.5 Ų33.54%0.04317%0.165CC..BIsolated β-bridgetrans-89179.2166.964.812.3000111.4H217 H219 Q407 Q408 T409H217-D405 WeakPolarHBondContact O-CB 3.48Å; H219-D405 VanDerWaalsContact CD2-CB 3.48Å; H219-D405 WeakPolarHBondContact CD2-CB 3.12Å; H219-D405 IonicContact CD2-OD2 3.77Å; H219-D405 IonicContact CG-OD2 3.52Å; H219-D405 PolarHBondContact N-OD2 3.03Å; D405-Q407 VanDerWaalsContact C-N 3.27Å; D405-Q407 PolarHBondContact O-N 3.45Å; D405-Q407 PolarHBondContact OD1-N 3.04Å; D405-Q408 PolarHBondContact O-N 3.36Å; D405-Q408 WeakPolarHBondContact OD1-CB 3.33Å; D405-Q408 WeakPolarHBondContact OD1-CG 3.48Å; D405-Q408 PolarHBondContact OD1-N 3.03Å; D405-T409 WeakPolarHBondContact O-CB 3.35Å; D405-T409 PolarHBondContact O-N 3.33Å; D405-T409 PolarHBondContact O-OG1 2.8Å
406Y96.4Very high95Very high65 Ų6532 Ų3226%0.25516%0.156SC..Hα-helixtrans-54.5-43.5179.6177.2-108000112.6G215 H217 T409 S410 L434 A437 E441G215-Y406 VanDerWaalsContact O-CB 3.28Å; G215-Y406 WeakPolarHBondContact O-CB 3.36Å; G215-Y406 VanDerWaalsContact O-CD2 3.29Å; G215-Y406 WeakPolarHBondContact O-CD2 3.31Å; H217-Y406 PolarHBondContact O-N 3.39Å; Y406-T409 PolarHBondContact O-N 3.47Å; Y406-S410 WeakPolarHBondContact O-CB 3.36Å; Y406-S410 PolarHBondContact O-N 3.28Å; Y406-L434 HydrophobicContact CD2-CD1 3.9Å; Y406-L434 HydrophobicContact CE2-CD1 4.23Å; Y406-A437 HydrophobicContact CE2-CB 3.64Å; Y406-E441 PolarHBondContact OH-OE2 3.31Å
407Q95.8Very high94.9Very high124 Ų12434 Ų3458%0.57916%0.162SC*.Hα-helixtrans-65-44.7-176.6-178.9174.9-14.800111.3I218 D405 E411I218-Q407 HydrophobicContact CD1-CB 4.34Å; D405-Q407 VanDerWaalsContact C-N 3.27Å; D405-Q407 PolarHBondContact O-N 3.45Å; D405-Q407 PolarHBondContact OD1-N 3.04Å; Q407-E411 VanDerWaalsContact O-CB 3.28Å; Q407-E411 WeakPolarHBondContact O-CB 3.29Å; Q407-E411 PolarHBondContact O-N 2.98Å
408Q96.8Very high95Very high27 Ų2730.5 Ų30.513%0.12615%0.148CC..Hα-helixtrans-67-42.7178.6-70.2172.114.200112.1R189 T404 D405 E411 F412R189-Q408 HydrophobicContact CB-CB 4.09Å; R189-Q408 HydrophobicContact CB-CG 4.11Å; T404-Q408 HydrophobicContact CG2-CB 3.79Å; D405-Q408 PolarHBondContact O-N 3.36Å; D405-Q408 WeakPolarHBondContact OD1-CB 3.33Å; D405-Q408 WeakPolarHBondContact OD1-CG 3.48Å; D405-Q408 PolarHBondContact OD1-N 3.03Å; Q408-E411 PolarHBondContact O-N 3.13Å; Q408-F412 WeakPolarHBondContact O-CB 3.49Å; Q408-F412 PolarHBondContact O-N 3.4Å
409T97.9Very high95.1Very high1 Ų133 Ų331%0.00617%0.165CC..Hα-helixtrans-64-47.2176.4-590000111.2I210 T404 D405 Y406 F412 I413 L434I210-T409 HydrophobicContact CD1-CG2 3.85Å; T404-T409 WeakPolarHBondContact CB-OG1 3.27Å; T404-T409 PolarHBondContact OG1-OG1 2.78Å; D405-T409 WeakPolarHBondContact O-CB 3.35Å; D405-T409 PolarHBondContact O-N 3.33Å; D405-T409 PolarHBondContact O-OG1 2.8Å; Y406-T409 PolarHBondContact O-N 3.47Å; T409-F412 PolarHBondContact O-N 3.08Å; T409-I413 HydrophobicContact CG2-CD1 4.02Å; T409-I413 WeakPolarHBondContact O-CG1 3.46Å; T409-I413 PolarHBondContact O-N 3.26Å; T409-L434 HydrophobicContact CG2-CD1 4.46Å
410S97.3Very high95.4Very high4 Ų434 Ų343%0.02817%0.167CC..Hα-helixtrans-60.4-45.3176.6169.20000111.4Y406 F412 I413 R414 E441Y406-S410 WeakPolarHBondContact O-CB 3.36Å; Y406-S410 PolarHBondContact O-N 3.28Å; S410-F412 VanDerWaalsContact C-N 3.35Å; S410-F412 PolarHBondContact O-N 3.43Å; S410-I413 PolarHBondContact O-N 3.45Å; S410-R414 VanDerWaalsContact O-CB 3.26Å; S410-R414 WeakPolarHBondContact O-CB 3.23Å; S410-R414 PolarHBondContact O-N 2.83Å; S410-R414 PolarHBondContact OG-NH2 3.11Å; S410-E441 PolarHBondContact OG-OE1 3.13Å; S410-E441 PolarHBondContact OG-OE2 3.31Å
411E97.5Very high95.8Very high84 Ų8433.4 Ų33.439%0.39317%0.165SC..Hα-helixtrans-60.1-42.9175.5-173.6-174.2159.600112.3Q407 Q408 R414 A415Q407-E411 VanDerWaalsContact O-CB 3.28Å; Q407-E411 WeakPolarHBondContact O-CB 3.29Å; Q407-E411 PolarHBondContact O-N 2.98Å; Q408-E411 PolarHBondContact O-N 3.13Å; E411-R414 PolarHBondContact O-N 3.49Å; E411-A415 PolarHBondContact O-N 3.39Å
412F98.3Very high96.6Very high1 Ų133.1 Ų33.10%0.00416%0.163CC..Hα-helixtrans-62.7-47.8178.8-168.9-101000111.9M171 L182 T184 F187 E199 I200 L208 I210 Q408 T409 S410 R414 A415 L416M171-F412 HydrophobicContact CE-CZ 4.48Å; M171-F412 HydrophobicContact SD-CE2 4.41Å; M171-F412 HydrophobicContact SD-CZ 3.95Å; L182-F412 HydrophobicContact CD2-CE1 4.24Å; L182-F412 HydrophobicContact CD2-CZ 4.08Å; T184-F412 HydrophobicContact CG2-CE1 4.11Å; F187-F412 HydrophobicContact CE2-CB 4.37Å; F187-F412 HydrophobicContact CE2-CD1 4.19Å; F187-F412 AromaticContact CE2-CD2 3.93Å; F187-F412 HydrophobicContact CE2-CD2 3.93Å; F187-F412 HydrophobicContact CE2-CE1 4.44Å; F187-F412 HydrophobicContact CE2-CE2 4.2Å; F187-F412 AromaticContact CE2-CG 3.91Å; F187-F412 HydrophobicContact CE2-CG 3.91Å; F187-F412 HydrophobicContact CE2-CZ 4.44Å; F187-F412 HydrophobicContact CZ-CB 4.49Å; F187-F412 HydrophobicContact CZ-CD1 4.25Å; F187-F412 HydrophobicContact CZ-CG 4.25Å; E199-F412 WeakPolarHBondContact O-CE2 3.46Å; I200-F412 HydrophobicContact CG1-CD2 4Å; I200-F412 HydrophobicContact CG1-CE2 4.15Å; L208-F412 HydrophobicContact CD1-CE1 4.13Å; L208-F412 HydrophobicContact CD2-CD1 4.31Å; L208-F412 HydrophobicContact CD2-CE1 4.36Å; I210-F412 HydrophobicContact CD1-CD1 4.01Å; Q408-F412 WeakPolarHBondContact O-CB 3.49Å; Q408-F412 PolarHBondContact O-N 3.4Å; T409-F412 PolarHBondContact O-N 3.08Å; S410-F412 VanDerWaalsContact C-N 3.35Å; S410-F412 PolarHBondContact O-N 3.43Å; F412-R414 VanDerWaalsContact C-N 3.32Å; F412-R414 PolarHBondContact O-N 3.3Å; F412-A415 PolarHBondContact O-N 3.1Å; F412-L416 HydrophobicContact CD1-CD1 3.91Å; F412-L416 HydrophobicContact CE1-CD1 3.4Å; F412-L416 HydrophobicContact CE2-CD1 4.41Å; F412-L416 HydrophobicContact CZ-CD1 3.69Å; F412-L416 PolarHBondContact O-N 3.14Å
413I97.9Very high97.1Very high1 Ų132.1 Ų32.11%0.00515%0.154CC..Hα-helixtrans-62.9-40.8176.1-65.8168.6000110.4L208 I210 T409 S410 A415 L416 K417 V421 L438 Y442 I450L208-I413 HydrophobicContact CD2-CG1 3.92Å; I210-I413 HydrophobicContact CD1-CG1 4.35Å; T409-I413 HydrophobicContact CG2-CD1 4.02Å; T409-I413 WeakPolarHBondContact O-CG1 3.46Å; T409-I413 PolarHBondContact O-N 3.26Å; S410-I413 PolarHBondContact O-N 3.45Å; I413-A415 VanDerWaalsContact C-N 3.32Å; I413-A415 PolarHBondContact O-N 3.24Å; I413-L416 PolarHBondContact O-N 3.42Å; I413-K417 WeakPolarHBondContact O-CA 3.49Å; I413-K417 PolarHBondContact O-N 2.94Å; I413-V421 HydrophobicContact CD1-CG1 4.29Å; I413-V421 HydrophobicContact CG2-CG2 4.25Å; I413-L438 HydrophobicContact CD1-CD1 3.67Å; I413-L438 HydrophobicContact CD1-CD2 3.73Å; I413-L438 HydrophobicContact CD1-CG 4.37Å; I413-Y442 HydrophobicContact CG2-CE2 4.22Å; I413-I450 HydrophobicContact CG2-CD1 3.87Å
414R96.4Very high97.3Very high116 Ų11631.6 Ų31.644%0.43815%0.152SC..Hα-helixtrans-65.1-33.8179.8-166.3-175.5-55.7116.31.4113.1S410 E411 F412 K417 E441 Y442S410-R414 VanDerWaalsContact O-CB 3.26Å; S410-R414 WeakPolarHBondContact O-CB 3.23Å; S410-R414 PolarHBondContact O-N 2.83Å; S410-R414 PolarHBondContact OG-NH2 3.11Å; E411-R414 PolarHBondContact O-N 3.49Å; F412-R414 VanDerWaalsContact C-N 3.32Å; F412-R414 PolarHBondContact O-N 3.3Å; R414-K417 WeakPolarHBondContact O-CE 3.46Å; R414-K417 WeakPolarHBondContact O-CG 3.31Å; R414-E441 IonicContact CZ-OE1 2.83Å; R414-E441 IonicContact NE-OE1 3Å; R414-E441 PolarHBondContact NE-OE1 3.2Å; R414-E441 IonicContact NH2-OE1 3.89Å; R414-E441 PolarHBondContact NH2-OE1 2.82Å; R414-Y442 VanDerWaalsContact CA-OH 3.24Å; R414-Y442 WeakPolarHBondContact CA-OH 3.44Å; R414-Y442 WeakPolarHBondContact CB-OH 3.3Å; R414-Y442 PolarHBondContact N-OH 3.16Å
415A97Very high97.4Very high44 Ų4431.7 Ų31.736%0.36415%0.152SC..Hα-helixtrans-71.1-43.6176.500000111.7I200 E411 F412 I413I200-A415 HydrophobicContact CD1-CB 4.09Å; I200-A415 HydrophobicContact CG2-CB 3.9Å; E411-A415 PolarHBondContact O-N 3.39Å; F412-A415 PolarHBondContact O-N 3.1Å; I413-A415 VanDerWaalsContact C-N 3.32Å; I413-A415 PolarHBondContact O-N 3.24Å
416L97.3Very high97.5Very high2 Ų231.3 Ų31.31%0.0115%0.15CC..Hα-helixtrans-80.4-37.8-176.3-69.1-179.7000113.3L182 I200 P201 K204 P205 L208 F412 I413L182-L416 HydrophobicContact CD2-CD1 3.8Å; I200-L416 HydrophobicContact CG2-CD2 4.14Å; P201-L416 HydrophobicContact CB-CD2 4.43Å; K204-L416 WeakPolarHBondContact CD-O 3.29Å; P205-L416 HydrophobicContact CG-CD1 4.34Å; L208-L416 HydrophobicContact CD2-CD1 4.49Å; F412-L416 HydrophobicContact CD1-CD1 3.91Å; F412-L416 HydrophobicContact CE1-CD1 3.4Å; F412-L416 HydrophobicContact CE2-CD1 4.41Å; F412-L416 HydrophobicContact CZ-CD1 3.69Å; F412-L416 PolarHBondContact O-N 3.14Å; I413-L416 PolarHBondContact O-N 3.42Å
417K96.9Very high97.4Very high94 Ų9431 Ų3141%0.40915%0.151SC..  trans47.354.7-173.5-56.2-174.4175.6-176.80113.5I413 R414 V448I413-K417 WeakPolarHBondContact O-CA 3.49Å; I413-K417 PolarHBondContact O-N 2.94Å; R414-K417 WeakPolarHBondContact O-CE 3.46Å; R414-K417 WeakPolarHBondContact O-CG 3.31Å; K417-V448 HydrophobicContact CB-CG1 4.26Å; K417-V448 HydrophobicContact CD-CG1 4.02Å; K417-V448 HydrophobicContact CD-CG2 3.88Å; K417-V448 HydrophobicContact CG-CG1 4.24Å
418P97.4Very high97.4Very high0 Ų028.9 Ų28.90%014%0.141CC..  trans-68.3137.3178.331-35.5000110.5P205 L208 H420 V421 I450P205-P418 HydrophobicContact CG-CB 4.45Å; L208-P418 HydrophobicContact CB-CB 3.88Å; L208-P418 HydrophobicContact CB-CG 3.66Å; L208-P418 HydrophobicContact CD2-CG 3.96Å; L208-P418 HydrophobicContact CG-CG 4.48Å; P418-H420 PolarHBondContact O-N 2.75Å; P418-V421 HydrophobicContact CG-CG2 3.57Å; P418-I450 WeakPolarHBondContact O-CG1 3.39Å
419P96.8Very high97.4Very high54 Ų5432 Ų3235%0.35116%0.159SC..SBendtrans-55.2-37.3172.8-28.233.8000114.1D206 E451D206-P419 WeakPolarHBondContact O-CD 3.11Å; P419-E451 PolarHBondContact O-N 3.23Å
420H98.4Very high97.3Very high33 Ų3333.7 Ų33.715%0.15317%0.167CC..EExtended strand (participates in β ladder)trans-124.6128.7178.6-61-77.4000111.4D206 I207 L208 P418 E451 H453 L463D206-H420 PolarHBondContact O-N 2.77Å; I207-H420 WeakPolarHBondContact CA-O 3.37Å; L208-H420 PolarHBondContact N-O 3.08Å; P418-H420 PolarHBondContact O-N 2.75Å; H420-E451 WeakPolarHBondContact CA-O 3.42Å; H420-E451 IonicContact CE1-OE2 3.85Å; H420-E451 PolarHBondContact CE1-OE2 3.31Å; H420-E451 VanDerWaalsContact CE1-OE2 3.31Å; H420-E451 IonicContact ND1-OE2 3.72Å; H420-H453 AromaticContact ND1-NE2 3.41Å; H420-H453 PolarHBondContact ND1-NE2 3.2Å; H420-L463 HydrophobicContact CB-CD1 3.94Å
421V98.8Very high97.3Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-114.8128.4172.5177.30000108.9L208 I210 I413 P418 L423 I450 E451 V452 H453L208-V421 CarbonylContact O-C 3.59Å; L208-V421 WeakPolarHBondContact O-CA 3.38Å; I210-V421 HydrophobicContact CG2-CG1 3.75Å; I413-V421 HydrophobicContact CD1-CG1 4.29Å; I413-V421 HydrophobicContact CG2-CG2 4.25Å; P418-V421 HydrophobicContact CG-CG2 3.57Å; V421-L423 HydrophobicContact CG1-CD2 3.94Å; V421-I450 HydrophobicContact CB-CG2 4.35Å; V421-I450 HydrophobicContact CG2-CG2 3.6Å; V421-E451 PolarHBondContact N-O 3.43Å; V421-V452 HydrophobicContact CB-CG1 4.46Å; V421-V452 HydrophobicContact CB-CG2 4.4Å; V421-V452 HydrophobicContact CG1-CG1 4.42Å; V421-V452 CarbonylContact O-C 3.18Å; V421-V452 WeakPolarHBondContact O-CA 3.37Å; V421-H453 PolarHBondContact O-CD2 3.02Å; V421-H453 PolarHBondContact O-N 2.79Å
422I98.9Very high97.4Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-118.8113.2179-60.5166.3000107.7I21 I207 L208 I209 I210 V424 H453 P455 V461I21-I422 HydrophobicContact CB-CD1 4.09Å; I21-I422 HydrophobicContact CD1-CD1 3.25Å; I21-I422 HydrophobicContact CG1-CD1 4.25Å; I21-I422 HydrophobicContact CG2-CD1 4.01Å; I207-I422 HydrophobicContact CG2-CD1 3.82Å; L208-I422 PolarHBondContact O-N 2.78Å; I209-I422 WeakPolarHBondContact CA-O 3.49Å; I209-I422 HydrophobicContact CG1-CB 4.27Å; I209-I422 HydrophobicContact CG1-CD1 4.32Å; I210-I422 PolarHBondContact N-O 2.83Å; I422-V424 HydrophobicContact CG2-CG1 4.38Å; I422-H453 HydrophobicContact CG1-CB 4.15Å; I422-P455 HydrophobicContact CG2-CG 3.88Å; I422-V461 HydrophobicContact CD1-CB 4.48Å; I422-V461 HydrophobicContact CD1-CG1 4.31Å
423L98.8Very high97.3Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-81.8129.6177.7-54.5-178.7000110I210 V421 M431 L434 K435 L438 V452 H453 N454I210-L423 HydrophobicContact CG2-CD2 3.66Å; V421-L423 HydrophobicContact CG1-CD2 3.94Å; L423-M431 HydrophobicContact CB-CG 3.71Å; L423-M431 HydrophobicContact CB-SD 4Å; L423-M431 HydrophobicContact CD1-CG 3.95Å; L423-L434 HydrophobicContact CD1-CB 4.4Å; L423-L434 HydrophobicContact CD1-CD2 3.99Å; L423-L434 HydrophobicContact CD1-CG 4.07Å; L423-L434 HydrophobicContact CD2-CD2 3.88Å; L423-L434 HydrophobicContact CD2-CG 4.49Å; L423-K435 HydrophobicContact CD1-CB 3.85Å; L423-L438 HydrophobicContact CD2-CD1 4.31Å; L423-V452 HydrophobicContact CD1-CG1 4.05Å; L423-V452 HydrophobicContact CG-CG1 4.07Å; L423-H453 PolarHBondContact N-O 2.88Å; L423-N454 HydrophobicContact CB-CB 4.25Å; L423-N454 HydrophobicContact CD1-CB 4.45Å
424V98.8Very high97.4Very high3 Ų339.4 Ų39.42%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-135.1176.2173-640000108.8P23 A26 I35 I209 I210 E211 S212 I422P23-V424 HydrophobicContact CG-CG1 4.47Å; A26-V424 CarbonylContact O-C 3.53Å; I35-V424 HydrophobicContact CD1-CG1 4.27Å; I35-V424 HydrophobicContact CD1-CG2 4.24Å; I35-V424 HydrophobicContact CG1-CG1 4.32Å; I209-V424 HydrophobicContact CG2-CG1 4Å; I209-V424 HydrophobicContact CG2-CG2 3.69Å; I210-V424 PolarHBondContact O-N 2.82Å; E211-V424 CarbonylContact C-O 3.44Å; E211-V424 VanDerWaalsContact CA-O 3.31Å; E211-V424 WeakPolarHBondContact CA-O 3.4Å; S212-V424 PolarHBondContact N-O 2.87Å; S212-V424 PolarHBondContact OG-O 3.05Å; I422-V424 HydrophobicContact CG2-CG1 4.38Å
425H98.2Very high97.4Very high4 Ų436.5 Ų36.52%0.01918%0.184CC..SBendtrans51.669.3170.9-156.6-106.8000113A26 E29 S33 D82 H83 D186 E211 S212 T213A26-H425 HydrophobicContact CB-CB 4.28Å; A26-H425 PolarHBondContact O-N 3.34Å; E29-H425 WeakPolarHBondContact O-CA 3.14Å; S33-H425 PolarHBondContact OG-CD2 2.9Å; D82-H425 IonicContact OD2-CE1 3.99Å; D82-H425 IonicContact OD2-NE2 2.79Å; D82-H425 PolarHBondContact OD2-NE2 3.09Å; H83-H425 AromaticContact NE2-CD2 3.84Å; H83-H425 AromaticContact NE2-CE1 3.75Å; H83-H425 AromaticContact NE2-NE2 3.51Å; D186-H425 IonicContact OD1-CE1 3.04Å; D186-H425 PolarHBondContact OD1-CE1 3.04Å; D186-H425 IonicContact OD1-CG 3.78Å; D186-H425 IonicContact OD1-ND1 3.75Å; D186-H425 PolarHBondContact OD1-ND1 2.68Å; D186-H425 IonicContact OD2-CE1 3.91Å; D186-H425 PolarHBondContact OD2-CE1 3.17Å; D186-H425 IonicContact OD2-ND1 3.78Å; E211-H425 HydrophobicContact CB-CB 4.08Å; S212-H425 CarbonylContact C-O 3.3Å; S212-H425 PolarHBondContact N-O 3.42Å; S212-H425 PolarHBondContact OG-O 3.15Å; T213-H425 PolarHBondContact N-O 2.85Å; T213-H425 PolarHBondContact OG1-ND1 3.16Å; T213-H425 PolarHBondContact OG1-O 2.86Å
426G96.3Very high97.5Very high0 Ų036.2 Ų36.20%018%0.182CC..SBendtrans-175.9150.4-178.100000111.4Q28 E29 S212 M431Q28-G426 CarbonylContact C-O 3.53Å; E29-G426 CarbonylContact C-O 2.93Å; E29-G426 WeakPolarHBondContact CA-O 3.3Å; E29-G426 PolarHBondContact N-O 2.99Å; E29-G426 PolarHBondContact O-N 3.26Å; S212-G426 WeakPolarHBondContact OG-CA 3.43Å; G426-M431 WeakPolarHBondContact O-CE 3.29Å
427E94.6Very high97.5Very high59 Ų5937.5 Ų37.528%0.27619%0.192SC..  trans-62.9143.3177.6-174.4-79.6147.600110.6N429 E430 M431E427-N429 VanDerWaalsContact C-N 3.35Å; E427-N429 PolarHBondContact O-N 3.15Å; E427-N429 PolarHBondContact OE1-N 2.9Å; E427-N429 VanDerWaalsContact OE1-N 3.08Å; E427-N429 PolarHBondContact OE1-ND2 3.48Å; E427-N429 WeakPolarHBondContact OE2-CA 3.32Å; E427-N429 VanDerWaalsContact OE2-CB 3.27Å; E427-N429 WeakPolarHBondContact OE2-CB 3.39Å; E427-N429 PolarHBondContact OE2-N 3.39Å; E427-E430 PolarHBondContact O-N 3.33Å; E427-E430 PolarHBondContact OE2-N 2.96Å; E427-M431 VanDerWaalsContact O-CB 3.24Å; E427-M431 WeakPolarHBondContact O-CB 3.32Å; E427-M431 PolarHBondContact O-N 2.7Å
428Q96Very high97.5Very high79 Ų7933 Ų3337%0.36917%0.173SC..Hα-helixtrans-51.4-47.4-171.7176.717468.900114Q28 A432Q28-Q428 HydrophobicContact CB-CB 4.13Å; Q28-Q428 HydrophobicContact CB-CG 4.29Å; Q28-Q428 PolarHBondContact O-N 3.21Å; Q428-A432 WeakPolarHBondContact O-CB 3.41Å; Q428-A432 PolarHBondContact O-N 2.64Å; Q428-A432 VanDerWaalsContact O-N 3.08Å
429N96.4Very high97.5Very high92 Ų9236.6 Ų36.649%0.49219%0.191SC..Hα-helixtrans-74-41.7-176.9-61.8-66.4000112E427 A432 R433E427-N429 VanDerWaalsContact C-N 3.35Å; E427-N429 PolarHBondContact O-N 3.15Å; E427-N429 PolarHBondContact OE1-N 2.9Å; E427-N429 VanDerWaalsContact OE1-N 3.08Å; E427-N429 PolarHBondContact OE1-ND2 3.48Å; E427-N429 WeakPolarHBondContact OE2-CA 3.32Å; E427-N429 VanDerWaalsContact OE2-CB 3.27Å; E427-N429 WeakPolarHBondContact OE2-CB 3.39Å; E427-N429 PolarHBondContact OE2-N 3.39Å; N429-A432 PolarHBondContact O-N 3.39Å; N429-R433 WeakPolarHBondContact O-CG 3.5Å; N429-R433 PolarHBondContact O-N 3.23Å
430E95.5Very high97.4Very high37 Ų3742.3 Ų42.317%0.17321%0.206CC..Hα-helixtrans-63.8-42.8175.8-68.7-176152.600111.4T216 H217 E427 A432 R433 L434T216-E430 HydrophobicContact CG2-CB 4.45Å; T216-E430 WeakPolarHBondContact CG2-O 3.39Å; H217-E430 IonicContact CD2-OE1 2.78Å; H217-E430 IonicContact CE1-OE1 2.94Å; H217-E430 IonicContact NE2-OE1 3.54Å; H217-E430 PolarHBondContact NE2-OE1 3.28Å; E427-E430 PolarHBondContact O-N 3.33Å; E427-E430 PolarHBondContact OE2-N 2.96Å; E430-A432 VanDerWaalsContact C-N 3.35Å; E430-A432 PolarHBondContact O-N 3.41Å; E430-R433 PolarHBondContact O-N 3.34Å; E430-L434 PolarHBondContact O-N 3.08Å
431M98Very high97.2Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-62.4-40.4174.7-172.3-172.6-73.200111.8Q28 S212 L423 G426 E427 L434 K435 N454Q28-M431 HydrophobicContact CB-SD 4.45Å; Q28-M431 HydrophobicContact CG-SD 3.91Å; S212-M431 WeakPolarHBondContact OG-CE 3.48Å; L423-M431 HydrophobicContact CB-CG 3.71Å; L423-M431 HydrophobicContact CB-SD 4Å; L423-M431 HydrophobicContact CD1-CG 3.95Å; G426-M431 WeakPolarHBondContact O-CE 3.29Å; E427-M431 VanDerWaalsContact O-CB 3.24Å; E427-M431 WeakPolarHBondContact O-CB 3.32Å; E427-M431 PolarHBondContact O-N 2.7Å; M431-L434 PolarHBondContact O-N 3.39Å; M431-K435 WeakPolarHBondContact O-CB 3.19Å; M431-K435 PolarHBondContact O-N 3.12Å; M431-N454 HydrophobicContact CG-CB 3.98Å; M431-N454 HydrophobicContact SD-CB 3.75Å
432A98Very high97Very high44 Ų4444.4 Ų44.436%0.36422%0.215SC..Hα-helixtrans-65.3-38.9175.600000112.5Q428 N429 E430 K435 A436Q428-A432 WeakPolarHBondContact O-CB 3.41Å; Q428-A432 PolarHBondContact O-N 2.64Å; Q428-A432 VanDerWaalsContact O-N 3.08Å; N429-A432 PolarHBondContact O-N 3.39Å; E430-A432 VanDerWaalsContact C-N 3.35Å; E430-A432 PolarHBondContact O-N 3.41Å; A432-K435 PolarHBondContact O-N 2.89Å; A432-A436 PolarHBondContact O-N 2.97Å
433R98.1Very high96.6Very high166 Ų16650.3 Ų50.363%0.62624%0.243SC*.Hα-helixtrans-66.8-43.3174.5-75.2174.6-173.1-179.44.6111.9T216 N429 E430 A436 A437T216-R433 HydrophobicContact CG2-CB 3.52Å; N429-R433 WeakPolarHBondContact O-CG 3.5Å; N429-R433 PolarHBondContact O-N 3.23Å; E430-R433 PolarHBondContact O-N 3.34Å; R433-A436 PolarHBondContact O-N 3.42Å; R433-A437 WeakPolarHBondContact O-CB 3.34Å; R433-A437 PolarHBondContact O-N 3.33Å
434L98.1Very high96.2Very high0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-58.4-48.3173.9172.662.5000110.6G215 T216 Y406 T409 L423 E430 M431 A436 A437 L438G215-L434 WeakPolarHBondContact O-CD1 3.43Å; T216-L434 HydrophobicContact CG2-CB 4.26Å; Y406-L434 HydrophobicContact CD2-CD1 3.9Å; Y406-L434 HydrophobicContact CE2-CD1 4.23Å; T409-L434 HydrophobicContact CG2-CD1 4.46Å; L423-L434 HydrophobicContact CD1-CB 4.4Å; L423-L434 HydrophobicContact CD1-CD2 3.99Å; L423-L434 HydrophobicContact CD1-CG 4.07Å; L423-L434 HydrophobicContact CD2-CD2 3.88Å; L423-L434 HydrophobicContact CD2-CG 4.49Å; E430-L434 PolarHBondContact O-N 3.08Å; M431-L434 PolarHBondContact O-N 3.39Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 3.01Å; L434-A437 PolarHBondContact O-N 3.43Å; L434-L438 HydrophobicContact CD1-CD1 3.89Å; L434-L438 HydrophobicContact CD1-CD2 4.48Å; L434-L438 HydrophobicContact CD1-CG 3.94Å; L434-L438 HydrophobicContact CG-CD1 3.96Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CG 3.16Å; L434-L438 PolarHBondContact O-N 2.98Å
435K98.3Very high95.7Very high55 Ų5560.3 Ų60.324%0.23930%0.296CS..Hα-helixtrans-54.5-49175.2174.1172.7179.1171.90111.9L423 M431 A432 A437 L438 I439 V452 N454L423-K435 HydrophobicContact CD1-CB 3.85Å; M431-K435 WeakPolarHBondContact O-CB 3.19Å; M431-K435 PolarHBondContact O-N 3.12Å; A432-K435 PolarHBondContact O-N 2.89Å; K435-A437 VanDerWaalsContact C-N 3.33Å; K435-A437 PolarHBondContact O-N 3.02Å; K435-L438 PolarHBondContact O-N 3.24Å; K435-I439 HydrophobicContact CG-CD1 3.8Å; K435-I439 HydrophobicContact CG-CG1 4.5Å; K435-I439 VanDerWaalsContact O-CG1 3.31Å; K435-I439 WeakPolarHBondContact O-CG1 3.39Å; K435-I439 PolarHBondContact O-N 3.03Å; K435-V452 HydrophobicContact CB-CG1 4.22Å; K435-V452 WeakPolarHBondContact CE-O 3.42Å; K435-V452 HydrophobicContact CG-CB 4.24Å; K435-V452 HydrophobicContact CG-CG1 3.91Å; K435-V452 PolarHBondContact NZ-O 2.71Å; K435-N454 HydrophobicContact CD-CB 4.16Å; K435-N454 VanDerWaalsContact CD-CG 3.46Å; K435-N454 WeakPolarHBondContact CD-OD1 3.29Å; K435-N454 PolarHBondContact NZ-OD1 3.39Å
436A97.9Very high95.1Very high39 Ų3968.3 Ų68.332%0.32234%0.339SS..Hα-helixtrans-62.7-39.1179.600000112.3A432 R433 L434 R440A432-A436 PolarHBondContact O-N 2.97Å; R433-A436 PolarHBondContact O-N 3.42Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 3.01Å; A436-R440 WeakPolarHBondContact O-CG 3.45Å; A436-R440 PolarHBondContact O-N 3.42Å; A436-R440 VanDerWaalsContact O-N 3.15Å
437A97.3Very high94.7Very high28 Ų2877 Ų7723%0.23138%0.38CS..Hα-helixtrans-66.8-42.3176.900000112.2Y406 R433 L434 K435 R440 E441Y406-A437 HydrophobicContact CE2-CB 3.64Å; R433-A437 WeakPolarHBondContact O-CB 3.34Å; R433-A437 PolarHBondContact O-N 3.33Å; L434-A437 PolarHBondContact O-N 3.43Å; K435-A437 VanDerWaalsContact C-N 3.33Å; K435-A437 PolarHBondContact O-N 3.02Å; A437-R440 PolarHBondContact O-N 3.29Å; A437-E441 PolarHBondContact O-N 2.85Å
438L97Very high94.5Very high1 Ų175 Ų751%0.00537%0.372CS..Hα-helixtrans-65.6-42.6176.4-69.1173000111.9I413 L423 L434 K435 R440 E441 Y442 V452I413-L438 HydrophobicContact CD1-CD1 3.67Å; I413-L438 HydrophobicContact CD1-CD2 3.73Å; I413-L438 HydrophobicContact CD1-CG 4.37Å; L423-L438 HydrophobicContact CD2-CD1 4.31Å; L434-L438 HydrophobicContact CD1-CD1 3.89Å; L434-L438 HydrophobicContact CD1-CD2 4.48Å; L434-L438 HydrophobicContact CD1-CG 3.94Å; L434-L438 HydrophobicContact CG-CD1 3.96Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CG 3.16Å; L434-L438 PolarHBondContact O-N 2.98Å; K435-L438 PolarHBondContact O-N 3.24Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 3.19Å; L438-E441 WeakPolarHBondContact O-CB 3.48Å; L438-E441 PolarHBondContact O-N 3.39Å; L438-E441 VanDerWaalsContact O-N 3.17Å; L438-Y442 VanDerWaalsContact O-CD2 3.27Å; L438-Y442 WeakPolarHBondContact O-CD2 3.47Å; L438-Y442 PolarHBondContact O-N 3.44Å; L438-V452 HydrophobicContact CB-CG2 4.11Å; L438-V452 HydrophobicContact CD1-CG1 4.36Å
439I96.8Very high94.4Very high74 Ų7478.7 Ų78.738%0.37939%0.388SS..Hα-helixtrans-58.6-48176.3-70167.6000110.3K435 E441 Y442 E443 V452K435-I439 HydrophobicContact CG-CD1 3.8Å; K435-I439 HydrophobicContact CG-CG1 4.5Å; K435-I439 VanDerWaalsContact O-CG1 3.31Å; K435-I439 WeakPolarHBondContact O-CG1 3.39Å; K435-I439 PolarHBondContact O-N 3.03Å; I439-E441 VanDerWaalsContact C-N 3.26Å; I439-E441 PolarHBondContact O-N 3.48Å; I439-Y442 PolarHBondContact O-N 2.81Å; I439-E443 WeakPolarHBondContact O-CB 3.49Å; I439-E443 PolarHBondContact O-N 3.34Å; I439-V452 HydrophobicContact CG1-CB 4.32Å; I439-V452 HydrophobicContact CG1-CG2 4.31Å
440R95.4Very high94.4Very high174 Ų17475.2 Ų75.266%0.65737%0.37SS*.Hα-helixtrans-61.5-32.5177.4-72.2174.6-173.1170.32.6113.3A436 A437 L438 Y442A436-R440 WeakPolarHBondContact O-CG 3.45Å; A436-R440 PolarHBondContact O-N 3.42Å; A436-R440 VanDerWaalsContact O-N 3.15Å; A437-R440 PolarHBondContact O-N 3.29Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 3.19Å; R440-Y442 PolarHBondContact O-N 3.25Å
441E95Very high94.5Very high56 Ų5677.9 Ų77.926%0.26238%0.382SS..Hα-helixtrans-65.7-29.5179.1-168.4-178.915900112.6Y406 S410 R414 A437 L438 I439Y406-E441 PolarHBondContact OH-OE2 3.31Å; S410-E441 PolarHBondContact OG-OE1 3.13Å; S410-E441 PolarHBondContact OG-OE2 3.31Å; R414-E441 IonicContact CZ-OE1 2.83Å; R414-E441 IonicContact NE-OE1 3Å; R414-E441 PolarHBondContact NE-OE1 3.2Å; R414-E441 IonicContact NH2-OE1 3.89Å; R414-E441 PolarHBondContact NH2-OE1 2.82Å; A437-E441 PolarHBondContact O-N 2.85Å; L438-E441 WeakPolarHBondContact O-CB 3.48Å; L438-E441 PolarHBondContact O-N 3.39Å; L438-E441 VanDerWaalsContact O-N 3.17Å; I439-E441 VanDerWaalsContact C-N 3.26Å; I439-E441 PolarHBondContact O-N 3.48Å
442Y93.8Very high94.5Very high21 Ų2178.3 Ų78.38%0.08239%0.385CS..Hα-helixtrans-110.4-4.1-176.6-63.7-80.9000114.1I413 R414 L438 I439 R440 D444 N445 V448 I450I413-Y442 HydrophobicContact CG2-CE2 4.22Å; R414-Y442 VanDerWaalsContact CA-OH 3.24Å; R414-Y442 WeakPolarHBondContact CA-OH 3.44Å; R414-Y442 WeakPolarHBondContact CB-OH 3.3Å; R414-Y442 PolarHBondContact N-OH 3.16Å; L438-Y442 VanDerWaalsContact O-CD2 3.27Å; L438-Y442 WeakPolarHBondContact O-CD2 3.47Å; L438-Y442 PolarHBondContact O-N 3.44Å; I439-Y442 PolarHBondContact O-N 2.81Å; R440-Y442 PolarHBondContact O-N 3.25Å; Y442-D444 VanDerWaalsContact C-N 3.33Å; Y442-D444 PolarHBondContact O-N 2.95Å; Y442-N445 PolarHBondContact O-N 3.04Å; Y442-V448 HydrophobicContact CD1-CB 4.31Å; Y442-V448 HydrophobicContact CD1-CG1 3.84Å; Y442-V448 HydrophobicContact CE1-CG1 4.01Å; Y442-I450 HydrophobicContact CD1-CD1 3.99Å; Y442-I450 HydrophobicContact CD1-CG1 4.46Å; Y442-I450 HydrophobicContact CD2-CD1 4.05Å; Y442-I450 HydrophobicContact CE1-CD1 3.75Å; Y442-I450 HydrophobicContact CE2-CD1 3.85Å; Y442-I450 HydrophobicContact CG-CD1 4.15Å; Y442-I450 HydrophobicContact CG-CG1 4.46Å
443E91Very high94.5Very high124 Ų12477.6 Ų77.658%0.57937%0.374SS*.THydrogen-bonded Turntrans-63-34.7-17574.8-170.5174.300113.8I439I439-E443 WeakPolarHBondContact O-CB 3.49Å; I439-E443 PolarHBondContact O-N 3.34Å
444D89.3Confident94.6Very high146 Ų14670.9 Ų70.978%0.78135%0.35SS*.THydrogen-bonded Turntrans-89.22.5-179.7-69.7-31.3000113.4Y442Y442-D444 VanDerWaalsContact C-N 3.33Å; Y442-D444 PolarHBondContact O-N 2.95Å
445N88.4Confident94.6Very high67 Ų6771 Ų7136%0.35835%0.351SS..  trans-106.692.9-174.4-168.2-20.2000112.9Y442 Q447 V448Y442-N445 PolarHBondContact O-N 3.04Å; N445-Q447 PolarHBondContact O-N 3.44Å; N445-Q447 WeakPolarHBondContact OD1-CB 3.34Å; N445-Q447 PolarHBondContact OD1-N 3.28Å; N445-V448 PolarHBondContact O-N 3.25Å; N445-V448 PolarHBondContact OD1-N 3.24Å
446D86.5Confident94.6Very high172 Ų17275 Ų7592%0.9237%0.365SS*.THydrogen-bonded Turntrans-59.6-15.9178.7-66.7-37.2000114.7
447Q87.3Confident94.6Very high184 Ų18474.2 Ų74.286%0.8636%0.355SS*.THydrogen-bonded Turntrans-92.9-19.3-178.3-60.4-171.93.300113.8N445N445-Q447 PolarHBondContact O-N 3.44Å; N445-Q447 WeakPolarHBondContact OD1-CB 3.34Å; N445-Q447 PolarHBondContact OD1-N 3.28Å
448V90.9Very high94.6Very high17 Ų1776.1 Ų76.110%0.10336%0.364CS..  trans-129.2102-172.8-176.90000108.9K417 Y442 N445 I450K417-V448 HydrophobicContact CB-CG1 4.26Å; K417-V448 HydrophobicContact CD-CG1 4.02Å; K417-V448 HydrophobicContact CD-CG2 3.88Å; K417-V448 HydrophobicContact CG-CG1 4.24Å; Y442-V448 HydrophobicContact CD1-CB 4.31Å; Y442-V448 HydrophobicContact CD1-CG1 3.84Å; Y442-V448 HydrophobicContact CE1-CG1 4.01Å; N445-V448 PolarHBondContact O-N 3.25Å; N445-V448 PolarHBondContact OD1-N 3.24Å; V448-I450 HydrophobicContact CG1-CD1 4.08Å; V448-I450 HydrophobicContact CG1-CG1 3.97Å
449H93Very high94.7Very high155 Ų15580.7 Ų80.772%0.71839%0.385SS*.  trans-98.3117.1176-174.6-79.4000110.2
450I96.8Very high94.7Very high20 Ų2078.9 Ų78.910%0.10338%0.381CS..  trans-124.1122.2176.2-58.2-174.6000108.6I413 P418 V421 Y442 V448 V452I413-I450 HydrophobicContact CG2-CD1 3.87Å; P418-I450 WeakPolarHBondContact O-CG1 3.39Å; V421-I450 HydrophobicContact CB-CG2 4.35Å; V421-I450 HydrophobicContact CG2-CG2 3.6Å; Y442-I450 HydrophobicContact CD1-CD1 3.99Å; Y442-I450 HydrophobicContact CD1-CG1 4.46Å; Y442-I450 HydrophobicContact CD2-CD1 4.05Å; Y442-I450 HydrophobicContact CE1-CD1 3.75Å; Y442-I450 HydrophobicContact CE2-CD1 3.85Å; Y442-I450 HydrophobicContact CG-CD1 4.15Å; Y442-I450 HydrophobicContact CG-CG1 4.46Å; V448-I450 HydrophobicContact CG1-CD1 4.08Å; V448-I450 HydrophobicContact CG1-CG1 3.97Å; I450-V452 HydrophobicContact CG2-CG2 4.11Å
451E97.8Very high94.8Very high93 Ų9371.2 Ų71.244%0.43535%0.354SS..EExtended strand (participates in β ladder)trans-95.4122172.3-164.8178.3170.500109.9P419 H420 V421 H453P419-E451 PolarHBondContact O-N 3.23Å; H420-E451 WeakPolarHBondContact CA-O 3.42Å; H420-E451 IonicContact CE1-OE2 3.85Å; H420-E451 PolarHBondContact CE1-OE2 3.31Å; H420-E451 VanDerWaalsContact CE1-OE2 3.31Å; H420-E451 IonicContact ND1-OE2 3.72Å; V421-E451 PolarHBondContact N-O 3.43Å; E451-H453 IonicContact OE1-CE1 2.75Å; E451-H453 PolarHBondContact OE1-CE1 3.45Å; E451-H453 IonicContact OE1-NE2 2.72Å
452V98.4Very high95Very high9 Ų971.8 Ų71.86%0.05536%0.361CS..EExtended strand (participates in β ladder)trans-105.6124.6-176.9-170.90000110.5V421 L423 K435 L438 I439 I450V421-V452 HydrophobicContact CB-CG1 4.46Å; V421-V452 HydrophobicContact CB-CG2 4.4Å; V421-V452 HydrophobicContact CG1-CG1 4.42Å; V421-V452 CarbonylContact O-C 3.18Å; V421-V452 WeakPolarHBondContact O-CA 3.37Å; L423-V452 HydrophobicContact CD1-CG1 4.05Å; L423-V452 HydrophobicContact CG-CG1 4.07Å; K435-V452 HydrophobicContact CB-CG1 4.22Å; K435-V452 WeakPolarHBondContact CE-O 3.42Å; K435-V452 HydrophobicContact CG-CB 4.24Å; K435-V452 HydrophobicContact CG-CG1 3.91Å; K435-V452 PolarHBondContact NZ-O 2.71Å; L438-V452 HydrophobicContact CB-CG2 4.11Å; L438-V452 HydrophobicContact CD1-CG1 4.36Å; I439-V452 HydrophobicContact CG1-CB 4.32Å; I439-V452 HydrophobicContact CG1-CG2 4.31Å; I450-V452 HydrophobicContact CG2-CG2 4.11Å
453H98.6Very high95Very high28 Ų2871.2 Ų71.213%0.1336%0.359CS..EExtended strand (participates in β ladder)trans-114.4150.8179.1-49.6-88.9000110.2H420 V421 I422 L423 E451 V461H420-H453 AromaticContact ND1-NE2 3.41Å; H420-H453 PolarHBondContact ND1-NE2 3.2Å; V421-H453 PolarHBondContact O-CD2 3.02Å; V421-H453 PolarHBondContact O-N 2.79Å; I422-H453 HydrophobicContact CG1-CB 4.15Å; L423-H453 PolarHBondContact N-O 2.88Å; E451-H453 IonicContact OE1-CE1 2.75Å; E451-H453 PolarHBondContact OE1-CE1 3.45Å; E451-H453 IonicContact OE1-NE2 2.72Å; H453-V461 HydrophobicContact CB-CG1 4.48Å; H453-V461 HydrophobicContact CB-CG2 4.14Å
454N98.3Very high95.1Very high26 Ų2670.7 Ų70.714%0.13936%0.361CS..  trans-143.462.9176.861.6-33.7000109.7Q28 L423 M431 K435Q28-N454 PolarHBondContact NE2-O 2.93Å; L423-N454 HydrophobicContact CB-CB 4.25Å; L423-N454 HydrophobicContact CD1-CB 4.45Å; M431-N454 HydrophobicContact CG-CB 3.98Å; M431-N454 HydrophobicContact SD-CB 3.75Å; K435-N454 HydrophobicContact CD-CB 4.16Å; K435-N454 VanDerWaalsContact CD-CG 3.46Å; K435-N454 WeakPolarHBondContact CD-OD1 3.29Å; K435-N454 PolarHBondContact NZ-OD1 3.39Å
455P98.4Very high95.1Very high2 Ų265.3 Ų65.31%0.01333%0.33CS..PPolyproline II helixtrans-61.5144.5-173.326.6-35.2000112.2P23 G27 I422 E459 V461P23-P455 HydrophobicContact CG-CB 4.04Å; P23-P455 HydrophobicContact CG-CG 3.6Å; G27-P455 CarbonylContact C-O 3.58Å; G27-P455 VanDerWaalsContact CA-O 3.31Å; G27-P455 WeakPolarHBondContact CA-O 3.32Å; I422-P455 HydrophobicContact CG2-CG 3.88Å; P455-E459 HydrophobicContact CB-CB 4.15Å; P455-E459 HydrophobicContact CB-CG 4.36Å; P455-V461 HydrophobicContact CB-CG2 3.9Å; P455-V461 HydrophobicContact CG-CG2 3.79Å
456R98.4Very high94.5Very high139 Ų13973 Ų7353%0.52535%0.354SS..PPolyproline II helixtrans-72164.1166.2-69.2178.2177.4-162.82.6110.5Q28 T458 E459Q28-R456 HydrophobicContact CG-CG 4.02Å; R456-T458 PolarHBondContact O-N 3.04Å; R456-E459 HydrophobicContact CB-CB 4.24Å; R456-E459 PolarHBondContact N-OE2 3.24Å; R456-E459 VanDerWaalsContact O-CB 3.29Å; R456-E459 WeakPolarHBondContact O-CB 3.27Å; R456-E459 PolarHBondContact O-N 2.64Å
457N98.3Very high93.4Very high22 Ų2266.3 Ų66.312%0.11833%0.327CS..THydrogen-bonded Turntrans-48137.5162.5-72.1-19.3000110.3P23 G25 A26 G27 E29 Y62 E459P23-N457 CarbonylContact O-C 3.5Å; P23-N457 WeakPolarHBondContact O-CA 3.4Å; G25-N457 VanDerWaalsContact C-OD1 3.24Å; G25-N457 WeakPolarHBondContact CA-OD1 3.36Å; G25-N457 PolarHBondContact N-OD1 2.76Å; A26-N457 PolarHBondContact N-OD1 3.14Å; G27-N457 WeakPolarHBondContact CA-OD1 3.49Å; G27-N457 PolarHBondContact N-OD1 3.33Å; G27-N457 PolarHBondContact O-N 2.86Å; E29-N457 PolarHBondContact OE1-ND2 3.02Å; E29-N457 PolarHBondContact OE2-ND2 3.27Å; Y62-N457 HydrophobicContact CD2-CB 3.88Å; Y62-N457 HydrophobicContact CE2-CB 3.71Å; N457-E459 PolarHBondContact O-N 3.06Å; N457-E459 VanDerWaalsContact O-N 3.16Å
458T97.9Very high92.5Very high68 Ų6865.8 Ų65.842%0.41732%0.324SS..THydrogen-bonded Turntrans71.8-14.4-177.281.20000115.8P23 Y62 L65 R456P23-T458 PolarHBondContact O-N 2.62Å; Y62-T458 HydrophobicContact CD2-CG2 4.08Å; Y62-T458 HydrophobicContact CG-CG2 4.05Å; L65-T458 HydrophobicContact CD1-CG2 3.35Å; R456-T458 PolarHBondContact O-N 3.04Å
459E98.3Very high91.6Very high97 Ų9770.5 Ų70.545%0.45334%0.343SS..PPolyproline II helixtrans-77.4124178.9-171.3-177.4173.400110.7P23 P455 R456 N457P23-E459 VanDerWaalsContact CD-O 3.31Å; P23-E459 WeakPolarHBondContact CD-O 3.26Å; P455-E459 HydrophobicContact CB-CB 4.15Å; P455-E459 HydrophobicContact CB-CG 4.36Å; R456-E459 HydrophobicContact CB-CB 4.24Å; R456-E459 PolarHBondContact N-OE2 3.24Å; R456-E459 VanDerWaalsContact O-CB 3.29Å; R456-E459 WeakPolarHBondContact O-CB 3.27Å; R456-E459 PolarHBondContact O-N 2.64Å; N457-E459 PolarHBondContact O-N 3.06Å; N457-E459 VanDerWaalsContact O-N 3.16Å
460A97.3Very high90.9Very high37 Ų3769.6 Ų69.631%0.30634%0.343SS..PPolyproline II helixtrans-91.4131.7179.100000111.8L20 I21 R22L20-A460 HydrophobicContact CD1-CB 3.7Å; L20-A460 HydrophobicContact CD2-CB 4.06Å; L20-A460 HydrophobicContact CG-CB 3.83Å; I21-A460 CarbonylContact O-C 3.59Å; I21-A460 WeakPolarHBondContact O-CA 3.33Å; R22-A460 HydrophobicContact CB-CB 4.48Å
461V98.1Very high90.3Very high12 Ų1271.1 Ų71.17%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-91117.2164.2-176.70000108L20 I21 I422 H453 P455 L463L20-V461 WeakPolarHBondContact CA-O 3.48Å; I21-V461 HydrophobicContact CB-CB 4.5Å; I21-V461 PolarHBondContact N-O 3.07Å; I21-V461 PolarHBondContact O-N 2.99Å; I422-V461 HydrophobicContact CD1-CB 4.48Å; I422-V461 HydrophobicContact CD1-CG1 4.31Å; H453-V461 HydrophobicContact CB-CG1 4.48Å; H453-V461 HydrophobicContact CB-CG2 4.14Å; P455-V461 HydrophobicContact CB-CG2 3.9Å; P455-V461 HydrophobicContact CG-CG2 3.79Å; V461-L463 HydrophobicContact CG1-CD2 3.97Å; V461-L463 HydrophobicContact CG1-CG 4.1Å
462T97.5Very high89.9Confident69 Ų6973.8 Ų73.842%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-105117.1179.5-56.40000110Q18Q18-T462 HydrophobicContact CB-CG2 4.37Å; Q18-T462 HydrophobicContact CG-CG2 4.18Å
463L95.3Very high89.4Confident8 Ų875.4 Ų75.44%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-116.2145179.1-56.5179.3000109.7Q18 L19 I207 H420 V461 F465Q18-L463 WeakPolarHBondContact CA-O 3.34Å; L19-L463 PolarHBondContact N-O 3.14Å; L19-L463 PolarHBondContact O-N 3.02Å; I207-L463 HydrophobicContact CD1-CD1 3.85Å; I207-L463 HydrophobicContact CG1-CD1 3.9Å; H420-L463 HydrophobicContact CB-CD1 3.94Å; V461-L463 HydrophobicContact CG1-CD2 3.97Å; V461-L463 HydrophobicContact CG1-CG 4.1Å; L463-F465 HydrophobicContact CB-CD2 4.21Å; L463-F465 HydrophobicContact CB-CE2 3.6Å; L463-F465 HydrophobicContact CB-CZ 4.46Å; L463-F465 HydrophobicContact CD1-CE2 4.08Å; L463-F465 HydrophobicContact CD1-CZ 4.44Å
464N93.4Very high88.7Confident113 Ų11376.3 Ų76.360%0.60438%0.384SS*.EExtended strand (participates in β ladder)trans-109.2115.3179.6-68.6-70000110.5D17 Q18D17-N464 CarbonylContact O-C 3.36Å; D17-N464 WeakPolarHBondContact O-CA 3.34Å; Q18-N464 VanDerWaalsContact CG-OD1 3.23Å; Q18-N464 WeakPolarHBondContact CG-OD1 3.49Å
465F89.1Confident88.2Confident33 Ų3375.7 Ų75.715%0.14538%0.383CS..  trans-114.5101.5175.1-69.9-84.9000109.8D17 L19 F39 V179 D206 I207 L463 G467D17-F465 WeakPolarHBondContact CB-O 3.46Å; D17-F465 PolarHBondContact O-N 3.14Å; L19-F465 HydrophobicContact CB-CD2 3.97Å; L19-F465 HydrophobicContact CB-CE2 4.32Å; L19-F465 HydrophobicContact CD1-CD2 4.21Å; L19-F465 HydrophobicContact CD1-CE2 4.26Å; F39-F465 HydrophobicContact CE2-CB 4.41Å; F39-F465 HydrophobicContact CZ-CB 4.08Å; V179-F465 HydrophobicContact CG1-CD1 4.01Å; V179-F465 HydrophobicContact CG1-CD2 4.09Å; V179-F465 HydrophobicContact CG1-CE1 4.09Å; V179-F465 HydrophobicContact CG1-CE2 4.17Å; V179-F465 HydrophobicContact CG1-CG 4Å; V179-F465 HydrophobicContact CG1-CZ 4.17Å; V179-F465 HydrophobicContact CG2-CB 3.61Å; V179-F465 HydrophobicContact CG2-CD1 3.92Å; V179-F465 HydrophobicContact CG2-CD2 4.43Å; V179-F465 HydrophobicContact CG2-CG 3.72Å; D206-F465 HydrophobicContact CB-CE1 3.9Å; D206-F465 HydrophobicContact CB-CZ 4.28Å; I207-F465 HydrophobicContact CD1-CE2 3.65Å; I207-F465 HydrophobicContact CD1-CZ 3.82Å; I207-F465 HydrophobicContact CG1-CE2 4.09Å; I207-F465 HydrophobicContact CG1-CZ 3.73Å; L463-F465 HydrophobicContact CB-CD2 4.21Å; L463-F465 HydrophobicContact CB-CE2 3.6Å; L463-F465 HydrophobicContact CB-CZ 4.46Å; L463-F465 HydrophobicContact CD1-CE2 4.08Å; L463-F465 HydrophobicContact CD1-CZ 4.44Å; F465-G467 PolarHBondContact O-N 3.16Å
466R74.4Confident87.7Confident228 Ų22877.6 Ų77.686%0.8640%0.396SS*.  trans-73.493.7170.7-69.1-175.7-177.1176.52.7108.7E468R466-E468 PolarHBondContact O-N 2.84Å
467G63.3Low87.1Confident33 Ų3372.8 Ų72.834%0.3438%0.381SS..  trans-74.5116.1171.800000109.8F465 K469F465-G467 PolarHBondContact O-N 3.16Å; G467-K469 PolarHBondContact O-N 3.41Å; G467-K469 VanDerWaalsContact O-N 3.16Å
468E68.1Low86.4Confident173 Ų17374.1 Ų74.181%0.80840%0.395SS*.  trans-60118.1163-70.1-172.3169.400108.3R466 L470R466-E468 PolarHBondContact O-N 2.84Å; E468-L470 PolarHBondContact O-N 3.25Å
469K74Confident85.8Confident115 Ų11577.3 Ų77.350%0.541%0.41SS..  trans-72.999.2177.7-68.7-178.8-178.8173.90108.7E15 G467 Y499E15-K469 IonicContact OE1-NZ 3.99Å; E15-K469 PolarHBondContact OE1-NZ 3.44Å; G467-K469 PolarHBondContact O-N 3.41Å; G467-K469 VanDerWaalsContact O-N 3.16Å; K469-Y499 HydrophobicContact CB-CD2 4.39Å; K469-Y499 HydrophobicContact CB-CE2 4.16Å; K469-Y499 HydrophobicContact CD-CE2 4.18Å; K469-Y499 HydrophobicContact CG-CE2 4.04Å
470L77.6Confident85Confident137 Ų13780.5 Ų80.572%0.71742%0.422SS*.  trans-82.3116.9176.9-68.6162.7000110.1E468E468-L470 PolarHBondContact O-N 3.25Å
471A84.8Confident84.2Confident52 Ų5288.6 Ų88.643%0.4345%0.45SS..EExtended strand (participates in β ladder)trans-105.4130.9171.600000110.9L492 Y499A471-L492 HydrophobicContact CB-CD1 4.07Å; A471-Y499 CarbonylContact C-O 3.6Å; A471-Y499 VanDerWaalsContact CA-O 3.32Å; A471-Y499 WeakPolarHBondContact CA-O 3.17Å
472K87.9Confident83.2Confident148 Ų14891.6 Ų91.664%0.64347%0.471SS*.EExtended strand (participates in β ladder)trans-95.2126.8175.7-67-177.6-178.5177.80110.5Y499 H500 I501K472-Y499 PolarHBondContact N-O 3.21Å; K472-H500 CarbonylContact O-C 3.41Å; K472-H500 WeakPolarHBondContact O-CA 3.12Å; K472-I501 PolarHBondContact O-N 3.4Å
473V87.9Confident82.6Confident44 Ų4491.4 Ų91.427%0.26748%0.476SS..EExtended strand (participates in β ladder)trans-74.7130.6169.6-171.60000108.7L477 A478 V488 I501V473-L477 HydrophobicContact CG1-CB 3.33Å; V473-A478 HydrophobicContact CG1-CB 4.29Å; V473-V488 HydrophobicContact CG2-CG1 4.5Å; V473-I501 HydrophobicContact CB-CG2 3.9Å; V473-I501 HydrophobicContact CG1-CG2 4.16Å; V473-I501 HydrophobicContact CG2-CG2 3.5Å
474M85Confident82.1Confident47 Ų47101 Ų10123%0.23252%0.52CS..  trans-135.5164.7-179.8-60-166.3-48.600111.2H500 I501 L502 Y510M474-H500 HydrophobicContact CE-CB 3.73Å; M474-H500 VanDerWaalsContact CE-CG 3.48Å; M474-H500 VanDerWaalsContact CE-ND1 3.34Å; M474-H500 WeakPolarHBondContact CE-ND1 3.39Å; M474-H500 PolarHBondContact SD-ND1 3.05Å; M474-H500 VanDerWaalsContact SD-ND1 3.4Å; M474-I501 PolarHBondContact N-O 3.49Å; M474-L502 HydrophobicContact CB-CD2 3.64Å; M474-L502 HydrophobicContact CE-CD1 4.49Å; M474-L502 HydrophobicContact CE-CD2 4.08Å; M474-L502 HydrophobicContact CE-CG 4.47Å; M474-Y510 HydrophobicContact CE-CD1 4.41Å
475G87.4Confident81.7Confident12 Ų1299.5 Ų99.512%0.12453%0.532CS..G310 helixtrans70.1-149.1-178.800000113L477 A478G475-L477 PolarHBondContact O-N 2.9Å; G475-L477 VanDerWaalsContact O-N 3.15Å; G475-A478 WeakPolarHBondContact O-CB 3.32Å; G475-A478 PolarHBondContact O-N 3.11Å
476S87.6Confident81.5Confident42 Ų42102.1 Ų102.129%0.29455%0.545SS..G310 helixtrans-57.7-27.5-178.657.60000113.9A478 D479 N503 D506S476-A478 PolarHBondContact O-N 2.98Å; S476-D479 WeakPolarHBondContact O-CB 3.24Å; S476-D479 VanDerWaalsContact O-CG 3.31Å; S476-D479 PolarHBondContact O-N 2.93Å; S476-N503 VanDerWaalsContact OG-CB 3.31Å; S476-N503 WeakPolarHBondContact OG-CB 3.34Å; S476-D506 WeakPolarHBondContact CB-OD2 3.49Å; S476-D506 PolarHBondContact N-OD2 2.89Å; S476-D506 PolarHBondContact OG-OD2 3.32Å
477L85.1Confident82Confident39 Ų39102.7 Ų102.720%0.20455%0.547CS..G310 helixtrans-65.9-19.8175.2-72.6170.9000112.9V473 G475 I501 N503V473-L477 HydrophobicContact CG1-CB 3.33Å; G475-L477 PolarHBondContact O-N 2.9Å; G475-L477 VanDerWaalsContact O-N 3.15Å; L477-I501 HydrophobicContact CD1-CG1 4.39Å; L477-N503 HydrophobicContact CD1-CB 4.38Å; L477-N503 VanDerWaalsContact CD1-N 3.33Å; L477-N503 HydrophobicContact CG-CB 4.16Å
478A85.4Confident83.1Confident50 Ų50104.3 Ų104.341%0.41355%0.55SS..G310 helixtrans-95.2-0.6179.500000113.6V473 G475 S476 K480V473-A478 HydrophobicContact CG1-CB 4.29Å; G475-A478 WeakPolarHBondContact O-CB 3.32Å; G475-A478 PolarHBondContact O-N 3.11Å; S476-A478 PolarHBondContact O-N 2.98Å; A478-K480 PolarHBondContact O-N 3.5Å
479D84.8Confident84.1Confident135 Ų135100.6 Ų100.672%0.72254%0.543SS*.SBendtrans-61.7-30.2-178-71.4-12.2000112.7S476S476-D479 WeakPolarHBondContact O-CB 3.24Å; S476-D479 VanDerWaalsContact O-CG 3.31Å; S476-D479 PolarHBondContact O-N 2.93Å
480K80.6Confident84.8Confident164 Ų16496.9 Ų96.971%0.71354%0.538SS*.SBendtrans-108.1136174.2-66-176.3-177177.70109.9A478 C482A478-K480 PolarHBondContact O-N 3.5Å; K480-C482 PolarHBondContact O-N 2.7Å
481K80.3Confident85.4Confident207 Ų20793 Ų9390%0.952%0.517SS*.  trans-57.9124.7173.7-165.4174.6-176178.90109.3A483K481-A483 PolarHBondContact O-N 3.05Å
482C78.3Confident85.7Confident75 Ų7595.4 Ų95.451%0.50752%0.522SS..  trans-61.8133.7-178.9-68.20000110.9K480K480-C482 PolarHBondContact O-N 2.7Å
483A84.8Confident85.7Confident64 Ų6489.3 Ų89.353%0.52950%0.497SS..  trans-109.7147.6172.400000110.9K481 G485 Q486K481-A483 PolarHBondContact O-N 3.05Å; A483-G485 PolarHBondContact O-N 3.14Å; A483-Q486 VanDerWaalsContact N-OE1 3.09Å; A483-Q486 WeakPolarHBondContact O-CB 3.43Å; A483-Q486 PolarHBondContact O-N 3.16Å; A483-Q486 VanDerWaalsContact O-N 3.11Å
484Q83.8Confident85.6Confident209 Ų20990.9 Ų90.998%0.97750%0.501SS*.THydrogen-bonded Turntrans-62.9131.8177.3-171.7167.1-1.500110.5Q486Q484-Q486 VanDerWaalsContact C-N 3.32Å
485G84.8Confident85.5Confident82 Ų8295.2 Ų95.285%0.84552%0.518SS*.THydrogen-bonded Turntrans85.1-4.6-175.500000115A483 R487A483-G485 PolarHBondContact O-N 3.14Å; G485-R487 PolarHBondContact O-N 3.18Å
486Q85Confident85.2Confident89 Ų8997.4 Ų97.442%0.41653%0.527SS..  trans-65.8129.6172.4-176.1-178.9-10.300110.4A483 Q484 V488A483-Q486 VanDerWaalsContact N-OE1 3.09Å; A483-Q486 WeakPolarHBondContact O-CB 3.43Å; A483-Q486 PolarHBondContact O-N 3.16Å; A483-Q486 VanDerWaalsContact O-N 3.11Å; Q484-Q486 VanDerWaalsContact C-N 3.32Å; Q486-V488 PolarHBondContact O-N 3.38Å
487R86.4Confident84.8Confident240 Ų24096.9 Ų96.991%0.90652%0.519SS*.  trans-68.7127.8169.1-84.6-171.2176.7-117.72.3109.7G485G485-R487 PolarHBondContact O-N 3.18Å
488V85.9Confident84.7Confident66 Ų6699 Ų9940%0.453%0.531SS..  trans-112.2124169.9-174.80000107.6V473 Q486 I501V473-V488 HydrophobicContact CG2-CG1 4.5Å; Q486-V488 PolarHBondContact O-N 3.38Å; V488-I501 HydrophobicContact CG1-CD1 3.82Å; V488-I501 HydrophobicContact CG1-CG1 4.47Å; V488-I501 HydrophobicContact CG1-CG2 4.45Å
489S88.9Confident84.8Confident96 Ų9698 Ų9867%0.67152%0.517SS*.  trans-127.5125.9177.457.50000109.5
490G88.8Confident85Confident37 Ų3793.8 Ų93.838%0.38149%0.492SS..SBendtrans-173.8-176.2-178.800000111.2L502G490-L502 CarbonylContact C-O 3.27Å; G490-L502 VanDerWaalsContact CA-O 3.28Å; G490-L502 WeakPolarHBondContact CA-O 3.46Å
491I89.3Confident85.5Confident55 Ų5587.3 Ų87.328%0.28247%0.465SS..EExtended strand (participates in β ladder)trans-86.3126.1172.5-60.5-179.5000108V493 I501 L502 P504 L507 M515I491-V493 HydrophobicContact CG2-CG2 4.08Å; I491-I501 WeakPolarHBondContact O-CA 3.27Å; I491-L502 PolarHBondContact N-O 3.37Å; I491-L502 PolarHBondContact O-N 3.12Å; I491-P504 HydrophobicContact CD1-CB 3.91Å; I491-P504 HydrophobicContact CD1-CG 3.95Å; I491-P504 HydrophobicContact CG1-CB 4.49Å; I491-P504 HydrophobicContact CG1-CG 4Å; I491-L507 HydrophobicContact CD1-CD2 4.35Å; I491-L507 HydrophobicContact CG2-CD1 4.32Å; I491-M515 HydrophobicContact CD1-SD 4.23Å
492L91Very high86Confident102 Ų10277.5 Ų77.553%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-88.3116.4171.8-173.874.7000109.2A471 Y499 H500 I501A471-L492 HydrophobicContact CB-CD1 4.07Å; L492-Y499 HydrophobicContact CD1-CD1 4.45Å; L492-Y499 HydrophobicContact CD2-CD1 4.13Å; L492-Y499 HydrophobicContact CG-CD1 4.37Å; L492-H500 CarbonylContact C-O 3.55Å; L492-H500 WeakPolarHBondContact CA-O 3.42Å; L492-I501 HydrophobicContact CD1-CB 4.33Å
493V88.9Confident86.5Confident21 Ų2176.2 Ų76.213%0.12741%0.411CS..EExtended strand (participates in β ladder)trans-105.7124.1175.9-176.10000108.9I491 H500 L502 L507 T511I491-V493 HydrophobicContact CG2-CG2 4.08Å; V493-H500 PolarHBondContact N-O 3.43Å; V493-H500 PolarHBondContact O-N 3.18Å; V493-L502 HydrophobicContact CG2-CD1 4.08Å; V493-L507 HydrophobicContact CG2-CD1 3.62Å; V493-T511 HydrophobicContact CG1-CG2 4.13Å; V493-T511 HydrophobicContact CG2-CG2 4.33Å
494K85.8Confident86.6Confident77 Ų7775.7 Ų75.734%0.33540%0.402SS..EExtended strand (participates in β ladder)trans-101.2119.1173-179.6-172.3175.8-168.80108.5E14 N496 N498 Y499E14-K494 IonicContact OE2-NZ 3.31Å; E14-K494 PolarHBondContact OE2-NZ 2.94Å; K494-N496 WeakPolarHBondContact CE-O 3.42Å; K494-N496 WeakPolarHBondContact CG-O 3.33Å; K494-N498 WeakPolarHBondContact CA-O 3.32Å; K494-Y499 HydrophobicContact CB-CD1 4.1Å; K494-Y499 HydrophobicContact CB-CE1 4.01Å; K494-Y499 HydrophobicContact CD-CE1 3.9Å; K494-Y499 HydrophobicContact CG-CD1 4.22Å; K494-Y499 HydrophobicContact CG-CE1 3.81Å
495K82.4Confident86.8Confident138 Ų13869.5 Ų69.560%0.638%0.382SS*.EExtended strand (participates in β ladder)trans-116.1107.6168-170.8174.9-176.2171.70108F497 N498K495-F497 PolarHBondContact O-N 3.47Å; K495-N498 PolarHBondContact N-O 3.03Å; K495-N498 PolarHBondContact O-N 3.31Å
496N81.9Confident86.9Confident57 Ų5766.9 Ų66.931%0.30535%0.349SS..THydrogen-bonded Turntrans54.2-118.1-167.6-58.6-29.3000110.9E152 G155 K494E152-N496 PolarHBondContact OE1-ND2 2.9Å; G155-N496 WeakPolarHBondContact CA-ND2 3.37Å; K494-N496 WeakPolarHBondContact CE-O 3.42Å; K494-N496 WeakPolarHBondContact CG-O 3.33Å
497F79.7Confident86.9Confident31 Ų3163.1 Ų63.114%0.13633%0.331CS..THydrogen-bonded Turntrans-97.5-0.4177.9-55.3-65.9000113.6K40 R42 G155 I176 A177 K495 Y499K40-F497 HydrophobicContact CB-CD1 4.4Å; K40-F497 HydrophobicContact CB-CE1 3.49Å; K40-F497 VanDerWaalsContact CB-CE1 3.49Å; K40-F497 HydrophobicContact CB-CZ 3.93Å; K40-F497 HydrophobicContact CD-CD1 4.19Å; K40-F497 HydrophobicContact CD-CE1 4.09Å; K40-F497 HydrophobicContact CG-CE1 4.4Å; R42-F497 HydrophobicContact CG-CE2 4.33Å; R42-F497 HydrophobicContact CG-CZ 3.92Å; G155-F497 WeakPolarHBondContact O-CD2 3.4Å; I176-F497 HydrophobicContact CG2-CD2 4.25Å; I176-F497 HydrophobicContact CG2-CE2 3.62Å; I176-F497 HydrophobicContact CG2-CZ 3.82Å; A177-F497 HydrophobicContact CB-CB 3.99Å; A177-F497 HydrophobicContact CB-CD1 4.04Å; A177-F497 HydrophobicContact CB-CD2 4.46Å; A177-F497 HydrophobicContact CB-CG 3.89Å; K495-F497 PolarHBondContact O-N 3.47Å; F497-Y499 WeakPolarHBondContact O-CD2 3.21Å
498N81.2Confident86.9Confident84 Ų8455.5 Ų55.545%0.44932%0.315SS..EExtended strand (participates in β ladder)trans-90.2128.8177.9-66.8-48000110.5K494 K495K494-N498 WeakPolarHBondContact CA-O 3.32Å; K495-N498 PolarHBondContact N-O 3.03Å; K495-N498 PolarHBondContact O-N 3.31Å
499Y87.6Confident86.9Confident30 Ų3057.1 Ų57.112%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-106.1132.4176.5-64.6-89.6000110.2K469 A471 K472 L492 K494 F497K469-Y499 HydrophobicContact CB-CD2 4.39Å; K469-Y499 HydrophobicContact CB-CE2 4.16Å; K469-Y499 HydrophobicContact CD-CE2 4.18Å; K469-Y499 HydrophobicContact CG-CE2 4.04Å; A471-Y499 CarbonylContact C-O 3.6Å; A471-Y499 VanDerWaalsContact CA-O 3.32Å; A471-Y499 WeakPolarHBondContact CA-O 3.17Å; K472-Y499 PolarHBondContact N-O 3.21Å; L492-Y499 HydrophobicContact CD1-CD1 4.45Å; L492-Y499 HydrophobicContact CD2-CD1 4.13Å; L492-Y499 HydrophobicContact CG-CD1 4.37Å; K494-Y499 HydrophobicContact CB-CD1 4.1Å; K494-Y499 HydrophobicContact CB-CE1 4.01Å; K494-Y499 HydrophobicContact CD-CE1 3.9Å; K494-Y499 HydrophobicContact CG-CD1 4.22Å; K494-Y499 HydrophobicContact CG-CE1 3.81Å; F497-Y499 WeakPolarHBondContact O-CD2 3.21Å
500H89.4Confident86.6Confident45 Ų4558.4 Ų58.421%0.20832%0.316CS..EExtended strand (participates in β ladder)trans-127.4134.6176.9-64-66.4000109.5K472 M474 L492 V493K472-H500 CarbonylContact O-C 3.41Å; K472-H500 WeakPolarHBondContact O-CA 3.12Å; M474-H500 HydrophobicContact CE-CB 3.73Å; M474-H500 VanDerWaalsContact CE-CG 3.48Å; M474-H500 VanDerWaalsContact CE-ND1 3.34Å; M474-H500 WeakPolarHBondContact CE-ND1 3.39Å; M474-H500 PolarHBondContact SD-ND1 3.05Å; M474-H500 VanDerWaalsContact SD-ND1 3.4Å; L492-H500 CarbonylContact C-O 3.55Å; L492-H500 WeakPolarHBondContact CA-O 3.42Å; V493-H500 PolarHBondContact N-O 3.43Å; V493-H500 PolarHBondContact O-N 3.18Å
501I90.9Very high86.3Confident29 Ų2958.1 Ų58.115%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-109.9123.6171.2-170.5164.1000109.2K472 V473 M474 L477 V488 I491 L492K472-I501 PolarHBondContact O-N 3.4Å; V473-I501 HydrophobicContact CB-CG2 3.9Å; V473-I501 HydrophobicContact CG1-CG2 4.16Å; V473-I501 HydrophobicContact CG2-CG2 3.5Å; M474-I501 PolarHBondContact N-O 3.49Å; L477-I501 HydrophobicContact CD1-CG1 4.39Å; V488-I501 HydrophobicContact CG1-CD1 3.82Å; V488-I501 HydrophobicContact CG1-CG1 4.47Å; V488-I501 HydrophobicContact CG1-CG2 4.45Å; I491-I501 WeakPolarHBondContact O-CA 3.27Å; L492-I501 HydrophobicContact CD1-CB 4.33Å
502L90.5Very high86Confident0 Ų064.7 Ų64.70%034%0.336CS..EExtended strand (participates in β ladder)trans-127.8151.6-170.6-72.1162.8000110.2M474 G490 I491 V493 D506 L507 Y510 T511M474-L502 HydrophobicContact CB-CD2 3.64Å; M474-L502 HydrophobicContact CE-CD1 4.49Å; M474-L502 HydrophobicContact CE-CD2 4.08Å; M474-L502 HydrophobicContact CE-CG 4.47Å; G490-L502 CarbonylContact C-O 3.27Å; G490-L502 VanDerWaalsContact CA-O 3.28Å; G490-L502 WeakPolarHBondContact CA-O 3.46Å; I491-L502 PolarHBondContact N-O 3.37Å; I491-L502 PolarHBondContact O-N 3.12Å; V493-L502 HydrophobicContact CG2-CD1 4.08Å; L502-D506 HydrophobicContact CD2-CB 4.38Å; L502-L507 HydrophobicContact CD1-CD1 4.25Å; L502-Y510 HydrophobicContact CD2-CD2 3.78Å; L502-Y510 HydrophobicContact CD2-CG 4Å; L502-T511 HydrophobicContact CD1-CG2 3.75Å
503N89.1Confident85.6Confident49 Ų4964.4 Ų64.426%0.26234%0.335SS..  trans-69.5142.9164.9-166.7-65.3000108.7S476 L477 S505 D506 L507S476-N503 VanDerWaalsContact OG-CB 3.31Å; S476-N503 WeakPolarHBondContact OG-CB 3.34Å; L477-N503 HydrophobicContact CD1-CB 4.38Å; L477-N503 VanDerWaalsContact CD1-N 3.33Å; L477-N503 HydrophobicContact CG-CB 4.16Å; N503-S505 PolarHBondContact O-N 2.83Å; N503-S505 VanDerWaalsContact O-N 3.08Å; N503-S505 PolarHBondContact OD1-N 3.23Å; N503-S505 VanDerWaalsContact OD1-N 3.09Å; N503-S505 PolarHBondContact OD1-OG 3.43Å; N503-D506 HydrophobicContact CB-CB 4.4Å; N503-D506 WeakPolarHBondContact CB-OD2 3.28Å; N503-D506 PolarHBondContact O-N 3.36Å; N503-L507 PolarHBondContact O-N 3.37Å
504P87.6Confident85Confident52 Ų5266.9 Ų66.934%0.33836%0.358SS..G310 helixtrans-49.3-34.2173.9-27.631000114.7I491 D506 L507 M515I491-P504 HydrophobicContact CD1-CB 3.91Å; I491-P504 HydrophobicContact CD1-CG 3.95Å; I491-P504 HydrophobicContact CG1-CB 4.49Å; I491-P504 HydrophobicContact CG1-CG 4Å; P504-D506 VanDerWaalsContact C-N 3.34Å; P504-L507 WeakPolarHBondContact O-CB 3.41Å; P504-M515 HydrophobicContact CB-CE 4.35Å; P504-M515 WeakPolarHBondContact O-CG 3.5Å
505S86.9Confident84.7Confident80 Ų8068.8 Ų68.856%0.55937%0.369SS*.G310 helixtrans-70.4-26.3178.154.40000114.1N503N503-S505 PolarHBondContact O-N 2.83Å; N503-S505 VanDerWaalsContact O-N 3.08Å; N503-S505 PolarHBondContact OD1-N 3.23Å; N503-S505 VanDerWaalsContact OD1-N 3.09Å; N503-S505 PolarHBondContact OD1-OG 3.43Å
506D87.9Confident84.6Confident27 Ų2767.2 Ų67.214%0.14438%0.375CS..G310 helixtrans-88.6-6.2-178.2-68.6-42.1000112.7S476 L502 N503 P504 S508 T509 Y510S476-D506 WeakPolarHBondContact CB-OD2 3.49Å; S476-D506 PolarHBondContact N-OD2 2.89Å; S476-D506 PolarHBondContact OG-OD2 3.32Å; L502-D506 HydrophobicContact CD2-CB 4.38Å; N503-D506 HydrophobicContact CB-CB 4.4Å; N503-D506 WeakPolarHBondContact CB-OD2 3.28Å; N503-D506 PolarHBondContact O-N 3.36Å; P504-D506 VanDerWaalsContact C-N 3.34Å; D506-S508 PolarHBondContact O-N 3.29Å; D506-T509 WeakPolarHBondContact O-CB 3.29Å; D506-T509 PolarHBondContact O-N 3.06Å; D506-Y510 HydrophobicContact CB-CD2 4Å; D506-Y510 HydrophobicContact CB-CE2 4.11Å; D506-Y510 WeakPolarHBondContact O-CD2 3.36Å; D506-Y510 PolarHBondContact O-N 3.24Å
507L85.6Confident84.8Confident10 Ų1069.5 Ų69.55%0.05239%0.392CS..Hα-helixtrans-58.3-45.5-170.1-164.870.6000112.4I491 V493 L502 N503 P504 T509 Y510 T511 L513 M515I491-L507 HydrophobicContact CD1-CD2 4.35Å; I491-L507 HydrophobicContact CG2-CD1 4.32Å; V493-L507 HydrophobicContact CG2-CD1 3.62Å; L502-L507 HydrophobicContact CD1-CD1 4.25Å; N503-L507 PolarHBondContact O-N 3.37Å; P504-L507 WeakPolarHBondContact O-CB 3.41Å; L507-T509 PolarHBondContact O-N 3.42Å; L507-Y510 PolarHBondContact O-N 3.29Å; L507-T511 HydrophobicContact CD1-CG2 4.28Å; L507-T511 WeakPolarHBondContact O-CA 3.42Å; L507-T511 WeakPolarHBondContact O-CB 3.33Å; L507-T511 PolarHBondContact O-N 2.89Å; L507-T511 PolarHBondContact O-OG1 2.91Å; L507-L513 CarbonylContact C-O 3.58Å; L507-L513 HydrophobicContact CD2-CB 3.83Å; L507-L513 HydrophobicContact CG-CB 4.01Å; L507-M515 HydrophobicContact CD2-CG 4.22Å; L507-M515 HydrophobicContact CD2-SD 4.14Å
508S85.6Confident85.3Confident80 Ų8072.5 Ų72.556%0.55941%0.412SS*.Hα-helixtrans-71.9-15.9178.4550000114D506 L513D506-S508 PolarHBondContact O-N 3.29Å; S508-L513 WeakPolarHBondContact CA-O 3.4Å; S508-L513 PolarHBondContact N-O 3.23Å
509T85.6Confident85.9Confident100 Ų10074.2 Ų74.261%0.61342%0.416SS*.Hα-helixtrans-82.6-36.8178.9-56.90000111D506 L507D506-T509 WeakPolarHBondContact O-CB 3.29Å; D506-T509 PolarHBondContact O-N 3.06Å; L507-T509 PolarHBondContact O-N 3.42Å
510Y83Confident86.2Confident122 Ų12276.4 Ų76.448%0.47843%0.427SS..Hα-helixtrans-109.5-9.8-174-65.4-84000114.1M474 L502 D506 L507M474-Y510 HydrophobicContact CE-CD1 4.41Å; L502-Y510 HydrophobicContact CD2-CD2 3.78Å; L502-Y510 HydrophobicContact CD2-CG 4Å; D506-Y510 HydrophobicContact CB-CD2 4Å; D506-Y510 HydrophobicContact CB-CE2 4.11Å; D506-Y510 WeakPolarHBondContact O-CD2 3.36Å; D506-Y510 PolarHBondContact O-N 3.24Å; L507-Y510 PolarHBondContact O-N 3.29Å
511T83.1Confident86.4Confident32 Ų3279.1 Ų79.120%0.19644%0.443CS..SBendtrans-137163.4-178.477.50000111V493 L502 L507 L513V493-T511 HydrophobicContact CG1-CG2 4.13Å; V493-T511 HydrophobicContact CG2-CG2 4.33Å; L502-T511 HydrophobicContact CD1-CG2 3.75Å; L507-T511 HydrophobicContact CD1-CG2 4.28Å; L507-T511 WeakPolarHBondContact O-CA 3.42Å; L507-T511 WeakPolarHBondContact O-CB 3.33Å; L507-T511 PolarHBondContact O-N 2.89Å; L507-T511 PolarHBondContact O-OG1 2.91Å; T511-L513 PolarHBondContact O-N 3.21Å; T511-L513 WeakPolarHBondContact OG1-CB 3.44Å; T511-L513 PolarHBondContact OG1-N 3.04Å; T511-L513 VanDerWaalsContact OG1-N 3.16Å
512E83Confident86.6Confident192 Ų19281.2 Ų81.290%0.89745%0.452SS*.SBendtrans-75.1-1.8172-65.6171.5-155.900112.4
513L81.6Confident86.7Confident97 Ų9784.3 Ų84.351%0.50848%0.478SS..PPolyproline II helixtrans-84.9129.7179.9-55.4174.3000109.8L507 S508 T511L507-L513 CarbonylContact C-O 3.58Å; L507-L513 HydrophobicContact CD2-CB 3.83Å; L507-L513 HydrophobicContact CG-CB 4.01Å; S508-L513 WeakPolarHBondContact CA-O 3.4Å; S508-L513 PolarHBondContact N-O 3.23Å; T511-L513 PolarHBondContact O-N 3.21Å; T511-L513 WeakPolarHBondContact OG1-CB 3.44Å; T511-L513 PolarHBondContact OG1-N 3.04Å; T511-L513 VanDerWaalsContact OG1-N 3.16Å
514A77Confident86.9Confident73 Ų7382.3 Ų82.360%0.60347%0.467SS*.PPolyproline II helixtrans-103.9144.9172.200000110.6
515M79Confident87.1Confident116 Ų11684.4 Ų84.457%0.57148%0.48SS*.PPolyproline II helixtrans-79.1124.7168.3-74.2-69-69.100108.9I491 P504 L507I491-M515 HydrophobicContact CD1-SD 4.23Å; P504-M515 HydrophobicContact CB-CE 4.35Å; P504-M515 WeakPolarHBondContact O-CG 3.5Å; L507-M515 HydrophobicContact CD2-CG 4.22Å; L507-M515 HydrophobicContact CD2-SD 4.14Å
516S80.6Confident87.3Confident105 Ų10580.6 Ų80.673%0.73445%0.454SS*.  trans-117.2140174.9-65.10000109.4
517T85.2Confident87.2Confident105 Ų10584.7 Ų84.764%0.64448%0.48SS*.  trans-114.1124.5174.9-55.20000108.6V575T517-V575 HydrophobicContact CG2-CB 4.39Å; T517-V575 HydrophobicContact CG2-CG1 3.4Å; T517-V575 VanDerWaalsContact CG2-CG1 3.4Å; T517-V575 HydrophobicContact CG2-CG2 4.14Å
518V91.3Very high87Confident94 Ų9485 Ų8557%0.5749%0.485SS*.PPolyproline II helixtrans-88.3119.9174.7-179.20000108Q520 A576V518-Q520 HydrophobicContact CG1-CG 4.39Å; V518-A576 HydrophobicContact CB-CB 4.19Å; V518-A576 HydrophobicContact CG1-CB 4.12Å; V518-A576 PolarHBondContact O-N 3.08Å
519K93.1Very high87Confident120 Ų12083.3 Ų83.352%0.52247%0.473SS..EExtended strand (participates in β ladder)trans-103.2124.1172.7-169176.6178.7-171.80108E573 W574K519-E573 HydrophobicContact CD-CG 4.43Å; K519-E573 WeakPolarHBondContact CE-OE1 3.45Å; K519-E573 WeakPolarHBondContact CE-OE2 3.49Å; K519-E573 HydrophobicContact CG-CG 4.44Å; K519-E573 IonicContact NZ-OE1 2.75Å; K519-E573 PolarHBondContact NZ-OE1 2.94Å; K519-E573 IonicContact NZ-OE2 2.66Å; K519-E573 PolarHBondContact NZ-OE2 3.19Å; K519-W574 CarbonylContact C-O 3.59Å; K519-W574 WeakPolarHBondContact CA-O 3.47Å
520Q94Very high86.9Confident77 Ų7780 Ų8036%0.3645%0.449SS..EExtended strand (participates in β ladder)trans-102.2135.9178.3-79.7-176.5-11.100109.9V518 E573 W574 A576V518-Q520 HydrophobicContact CG1-CG 4.39Å; Q520-E573 WeakPolarHBondContact O-CA 3.43Å; Q520-W574 HydrophobicContact CB-CD2 4.05Å; Q520-W574 HydrophobicContact CB-CE3 4.38Å; Q520-W574 HydrophobicContact CB-CH2 4.07Å; Q520-W574 HydrophobicContact CB-CZ2 3.71Å; Q520-W574 HydrophobicContact CB-CZ3 4.37Å; Q520-W574 HydrophobicContact CG-CZ2 4.5Å; Q520-W574 PolarHBondContact N-O 2.95Å; Q520-W574 PolarHBondContact O-N 3.48Å; Q520-A576 HydrophobicContact CG-CB 3.94Å
521N93.8Very high86.9Confident102 Ų10278.1 Ų78.155%0.54545%0.454SS..EExtended strand (participates in β ladder)trans-124.6125.9175.6-73.2-2.9000108.4L572 E573N521-L572 CarbonylContact C-O 3.54Å; N521-L572 VanDerWaalsContact CA-O 3.27Å; N521-L572 WeakPolarHBondContact CA-O 3.41Å; N521-E573 WeakPolarHBondContact OD1-CB 3.49Å; N521-E573 VanDerWaalsContact OD1-CG 3.23Å; N521-E573 WeakPolarHBondContact OD1-CG 3.47Å; N521-E573 PolarHBondContact OD1-OE2 3.36Å
522Q94.4Very high87Confident72 Ų7277.2 Ų77.234%0.33645%0.448SS..EExtended strand (participates in β ladder)trans-125.4121.2179.3-170.7177.613.900110.2I524 V571 L572 W574 T588Q522-I524 HydrophobicContact CG-CG1 4.11Å; Q522-V571 CarbonylContact O-C 3.58Å; Q522-V571 WeakPolarHBondContact O-CA 3.48Å; Q522-L572 HydrophobicContact CB-CB 4.45Å; Q522-L572 PolarHBondContact N-O 3.1Å; Q522-L572 PolarHBondContact O-N 3.08Å; Q522-W574 HydrophobicContact CB-CH2 3.97Å; Q522-W574 HydrophobicContact CB-CZ3 3.87Å; Q522-T588 PolarHBondContact OE1-OG1 2.87Å
523A94.1Very high87.2Confident65 Ų6568.1 Ų68.154%0.53741%0.405SS..EExtended strand (participates in β ladder)trans-92.7118.9174.900000109.6M569A523-M569 HydrophobicContact CB-CE 3.3Å
524I93.6Very high87.5Confident8 Ų863.7 Ų63.74%0.04138%0.382CS..EExtended strand (participates in β ladder)trans-116.6122.2179.1-53.4164.7000108.5Q522 F526 M569 V570 L572 T588 V591 L592Q522-I524 HydrophobicContact CG-CG1 4.11Å; I524-F526 PolarHBondContact O-N 3.34Å; I524-M569 CarbonylContact O-C 3.59Å; I524-M569 VanDerWaalsContact O-CA 3.29Å; I524-M569 WeakPolarHBondContact O-CA 3.24Å; I524-M569 WeakPolarHBondContact O-CB 3.44Å; I524-V570 HydrophobicContact CB-CG2 4.05Å; I524-V570 PolarHBondContact N-O 3.04Å; I524-V570 PolarHBondContact O-N 3Å; I524-L572 HydrophobicContact CD1-CD1 3.68Å; I524-L572 HydrophobicContact CD1-CG 4.12Å; I524-T588 HydrophobicContact CD1-CG2 3.74Å; I524-V591 HydrophobicContact CB-CG1 4.17Å; I524-V591 HydrophobicContact CD1-CB 4.46Å; I524-V591 HydrophobicContact CD1-CG1 4.27Å; I524-V591 HydrophobicContact CG2-CG1 3.7Å; I524-L592 HydrophobicContact CG2-CD2 3.87Å; I524-L592 HydrophobicContact CG2-CG 4.49Å
525P90.9Very high87.8Confident95 Ų9562.1 Ų62.162%0.61737%0.366SS*.EExtended strand (participates in β ladder)trans-57.8126.3173.7-2434.1000111.2
526F90.6Very high88.2Confident1 Ų159.4 Ų59.40%0.00435%0.352CS..  trans-148.3121.1-176.3-175.7-99.9000110.4I524 G528 L533 H565 G568 M569 V570 V591 V594 Q595I524-F526 PolarHBondContact O-N 3.34Å; F526-G528 WeakPolarHBondContact CE1-O 3.32Å; F526-L533 HydrophobicContact CD1-CD2 4.3Å; F526-L533 HydrophobicContact CE1-CB 4.26Å; F526-L533 HydrophobicContact CE1-CD2 3.89Å; F526-L533 HydrophobicContact CE2-CD1 4.47Å; F526-L533 HydrophobicContact CE2-CD2 4.38Å; F526-L533 HydrophobicContact CZ-CB 3.8Å; F526-L533 HydrophobicContact CZ-CD2 3.95Å; F526-L533 HydrophobicContact CZ-CG 4.3Å; F526-H565 AromaticContact CD1-CD2 3.97Å; F526-H565 AromaticContact CD1-NE2 3.89Å; F526-G568 PolarHBondContact N-O 3.38Å; F526-G568 CarbonylContact O-C 3.57Å; F526-G568 VanDerWaalsContact O-CA 3.3Å; F526-G568 WeakPolarHBondContact O-CA 3.18Å; F526-M569 PolarHBondContact O-N 3.18Å; F526-V570 HydrophobicContact CB-CB 4.49Å; F526-V570 HydrophobicContact CB-CG1 4.07Å; F526-V570 HydrophobicContact CB-CG2 3.98Å; F526-V570 HydrophobicContact CD1-CG1 3.94Å; F526-V570 HydrophobicContact CG-CG1 4.14Å; F526-V570 HydrophobicContact CG-CG2 4.49Å; F526-V591 HydrophobicContact CD2-CG1 4.05Å; F526-V594 HydrophobicContact CE2-CB 4.13Å; F526-V594 HydrophobicContact CE2-CG1 3.77Å; F526-V594 HydrophobicContact CZ-CG1 3.96Å; F526-Q595 HydrophobicContact CD2-CB 4.12Å; F526-Q595 HydrophobicContact CE2-CB 4.49Å
527T87Confident88.6Confident113 Ų11354.4 Ų54.469%0.69332%0.317SS*.  trans-123.14.7-179.4550000111.9Q595T527-Q595 PolarHBondContact OG1-NE2 2.75Å
528G80.9Confident88.7Confident15 Ų1554.8 Ų54.816%0.15531%0.307CS..SBendtrans-73.4167.7178.400000113.3F526 Y530F526-G528 WeakPolarHBondContact CE1-O 3.32Å; G528-Y530 PolarHBondContact O-N 2.68Å
529P84.8Confident88.4Confident46 Ų4656.4 Ų56.430%0.29931%0.312SS..  trans-67.1130.7176-16.531000110.8S531 L532 L533 Q601P529-S531 VanDerWaalsContact C-N 3.3Å; P529-S531 PolarHBondContact O-N 3.11Å; P529-L532 HydrophobicContact CB-CB 4.26Å; P529-L532 WeakPolarHBondContact O-CB 3.48Å; P529-L532 PolarHBondContact O-N 2.88Å; P529-L532 VanDerWaalsContact O-N 3.16Å; P529-L533 PolarHBondContact O-N 3.02Å; P529-Q601 VanDerWaalsContact CD-NE2 3.29Å; P529-Q601 HydrophobicContact CG-CG 4.13Å
530Y84.3Confident88Confident30 Ų3054 Ų5412%0.11831%0.305CS..Hα-helixtrans-56.9-40.9178.8179.6-100.6000113.1G528 L532 L533 V534 K553 L555 H565G528-Y530 PolarHBondContact O-N 2.68Å; Y530-L532 VanDerWaalsContact C-N 3.29Å; Y530-L532 PolarHBondContact O-N 3.17Å; Y530-L533 WeakPolarHBondContact O-CB 3.38Å; Y530-L533 PolarHBondContact O-N 3.26Å; Y530-V534 HydrophobicContact CD1-CG2 3.98Å; Y530-V534 HydrophobicContact CE1-CG2 3.56Å; Y530-V534 HydrophobicContact CE2-CG2 4.22Å; Y530-V534 HydrophobicContact CG-CG2 4.49Å; Y530-V534 WeakPolarHBondContact O-CG2 3.42Å; Y530-V534 PolarHBondContact O-N 3.22Å; Y530-K553 HydrophobicContact CD1-CD 3.72Å; Y530-K553 HydrophobicContact CD2-CD 4.23Å; Y530-K553 HydrophobicContact CE1-CB 4.33Å; Y530-K553 HydrophobicContact CE1-CD 3.69Å; Y530-K553 HydrophobicContact CE2-CB 3.86Å; Y530-K553 HydrophobicContact CE2-CD 4.22Å; Y530-K553 HydrophobicContact CG-CD 3.98Å; Y530-L555 HydrophobicContact CE2-CD1 4.31Å; Y530-L555 HydrophobicContact CE2-CG 4.49Å; Y530-L555 VanDerWaalsContact OH-CD2 3.24Å; Y530-L555 WeakPolarHBondContact OH-CD2 3.28Å; Y530-L555 WeakPolarHBondContact OH-CG 3.19Å; Y530-H565 HydrophobicContact CD2-CB 3.72Å; Y530-H565 AromaticContact CD2-CD2 3.61Å; Y530-H565 AromaticContact CD2-CG 3.59Å; Y530-H565 HydrophobicContact CE2-CB 3.69Å
531S83.6Confident87.5Confident83 Ų8351.9 Ų51.958%0.5830%0.297SS*.Hα-helixtrans-61.4-35.617948.70000113.1P529 C535P529-S531 VanDerWaalsContact C-N 3.3Å; P529-S531 PolarHBondContact O-N 3.11Å; S531-C535 PolarHBondContact O-N 2.89Å; S531-C535 VanDerWaalsContact O-N 3.11Å
532L84.4Confident86.3Confident13 Ų1350.2 Ų50.27%0.06830%0.304CS..Hα-helixtrans-69.6-43.5176.8-17465.1000110.6P529 Y530 V534 C535 H536 V594 Q601 M604P529-L532 HydrophobicContact CB-CB 4.26Å; P529-L532 WeakPolarHBondContact O-CB 3.48Å; P529-L532 PolarHBondContact O-N 2.88Å; P529-L532 VanDerWaalsContact O-N 3.16Å; Y530-L532 VanDerWaalsContact C-N 3.29Å; Y530-L532 PolarHBondContact O-N 3.17Å; L532-V534 VanDerWaalsContact C-N 3.34Å; L532-V534 PolarHBondContact O-N 2.99Å; L532-C535 WeakPolarHBondContact O-CB 3.47Å; L532-C535 PolarHBondContact O-N 3.4Å; L532-H536 PolarHBondContact O-CD2 3.41Å; L532-H536 VanDerWaalsContact O-CD2 3.31Å; L532-H536 PolarHBondContact O-N 2.9Å; L532-H536 VanDerWaalsContact O-N 3.08Å; L532-V594 HydrophobicContact CD2-CG1 3.97Å; L532-V594 HydrophobicContact CG-CG1 4.11Å; L532-Q601 HydrophobicContact CD2-CG 4.38Å; L532-M604 HydrophobicContact CD1-SD 3.74Å
533L87Confident85.3Confident0 Ų050.1 Ų50.10%031%0.306CS..Hα-helixtrans-59.3-45.2175.7-179.861.1000111.6F526 P529 Y530 C535 H536 L537 L563 V570 V591 V594F526-L533 HydrophobicContact CD1-CD2 4.3Å; F526-L533 HydrophobicContact CE1-CB 4.26Å; F526-L533 HydrophobicContact CE1-CD2 3.89Å; F526-L533 HydrophobicContact CE2-CD1 4.47Å; F526-L533 HydrophobicContact CE2-CD2 4.38Å; F526-L533 HydrophobicContact CZ-CB 3.8Å; F526-L533 HydrophobicContact CZ-CD2 3.95Å; F526-L533 HydrophobicContact CZ-CG 4.3Å; P529-L533 PolarHBondContact O-N 3.02Å; Y530-L533 WeakPolarHBondContact O-CB 3.38Å; Y530-L533 PolarHBondContact O-N 3.26Å; L533-C535 VanDerWaalsContact C-N 3.34Å; L533-C535 PolarHBondContact O-N 2.92Å; L533-H536 PolarHBondContact O-N 2.94Å; L533-L537 HydrophobicContact CD1-CD1 3.92Å; L533-L537 HydrophobicContact CD1-CG 4.14Å; L533-L537 HydrophobicContact CG-CD1 3.79Å; L533-L537 HydrophobicContact CG-CG 4.42Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.23Å; L533-L537 WeakPolarHBondContact O-CG 3.41Å; L533-L537 PolarHBondContact O-N 3.38Å; L533-L563 HydrophobicContact CD2-CD1 4.26Å; L533-L563 HydrophobicContact CD2-CD2 4.47Å; L533-V570 HydrophobicContact CD2-CG1 3.92Å; L533-V591 HydrophobicContact CD1-CG2 3.9Å; L533-V594 HydrophobicContact CD1-CG2 4.4Å
534V87.3Confident84.9Confident5 Ų547.7 Ų47.73%0.0328%0.284CS..Hα-helixtrans-59.5-43.9176.61740000111.5Y530 L532 L537 R538 L555Y530-V534 HydrophobicContact CD1-CG2 3.98Å; Y530-V534 HydrophobicContact CE1-CG2 3.56Å; Y530-V534 HydrophobicContact CE2-CG2 4.22Å; Y530-V534 HydrophobicContact CG-CG2 4.49Å; Y530-V534 WeakPolarHBondContact O-CG2 3.42Å; Y530-V534 PolarHBondContact O-N 3.22Å; L532-V534 VanDerWaalsContact C-N 3.34Å; L532-V534 PolarHBondContact O-N 2.99Å; V534-L537 PolarHBondContact O-N 3.28Å; V534-R538 VanDerWaalsContact CG1-CZ 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.41Å; V534-R538 PolarHBondContact O-N 3.4Å; V534-L555 HydrophobicContact CG2-CD1 3.81Å; V534-L555 HydrophobicContact CG2-CD2 4.14Å
535C84.2Confident84.6Confident39 Ų3951.1 Ų51.126%0.26430%0.3SS..Hα-helixtrans-59.2-49.6177.9-175.40000112S531 L532 L533 L537 R538 N539 M604S531-C535 PolarHBondContact O-N 2.89Å; S531-C535 VanDerWaalsContact O-N 3.11Å; L532-C535 WeakPolarHBondContact O-CB 3.47Å; L532-C535 PolarHBondContact O-N 3.4Å; L533-C535 VanDerWaalsContact C-N 3.34Å; L533-C535 PolarHBondContact O-N 2.92Å; C535-L537 VanDerWaalsContact C-N 3.34Å; C535-L537 PolarHBondContact O-N 2.83Å; C535-R538 PolarHBondContact O-N 2.67Å; C535-N539 PolarHBondContact O-N 3Å; C535-M604 HydrophobicContact CB-CE 4.26Å; C535-M604 HydrophobicContact CB-SD 4.44Å
536H86.4Confident84.4Confident59 Ų5950.9 Ų50.927%0.27329%0.291SS..Hα-helixtrans-65.8-35.5178.8-81-90.1000113L532 L533 N539 L540 V590 V594L532-H536 PolarHBondContact O-CD2 3.41Å; L532-H536 VanDerWaalsContact O-CD2 3.31Å; L532-H536 PolarHBondContact O-N 2.9Å; L532-H536 VanDerWaalsContact O-N 3.08Å; L533-H536 PolarHBondContact O-N 2.94Å; H536-N539 PolarHBondContact O-N 3.13Å; H536-L540 PolarHBondContact O-N 3.42Å; H536-L540 VanDerWaalsContact O-N 3.1Å; H536-V590 HydrophobicContact CB-CG1 3.7Å; H536-V594 HydrophobicContact CB-CG2 3.91Å
537L89.3Confident84Confident0 Ų054.3 Ų54.30%031%0.309CS..Hα-helixtrans-69.5-33.8175.3-69.2170.4000112.4L533 V534 C535 N539 L540 T541 V544 L555 I557 L563 V587 V590L533-L537 HydrophobicContact CD1-CD1 3.92Å; L533-L537 HydrophobicContact CD1-CG 4.14Å; L533-L537 HydrophobicContact CG-CD1 3.79Å; L533-L537 HydrophobicContact CG-CG 4.42Å; L533-L537 WeakPolarHBondContact O-CB 3.42Å; L533-L537 VanDerWaalsContact O-CG 3.23Å; L533-L537 WeakPolarHBondContact O-CG 3.41Å; L533-L537 PolarHBondContact O-N 3.38Å; V534-L537 PolarHBondContact O-N 3.28Å; C535-L537 VanDerWaalsContact C-N 3.34Å; C535-L537 PolarHBondContact O-N 2.83Å; L537-N539 VanDerWaalsContact C-N 3.34Å; L537-L540 WeakPolarHBondContact O-CB 3.5Å; L537-L540 PolarHBondContact O-N 2.65Å; L537-T541 PolarHBondContact O-N 3.26Å; L537-T541 PolarHBondContact O-OG1 3.06Å; L537-V544 HydrophobicContact CB-CG2 4.11Å; L537-V544 WeakPolarHBondContact O-CG2 3.36Å; L537-L555 HydrophobicContact CD1-CD1 3.85Å; L537-I557 HydrophobicContact CD1-CD1 3.86Å; L537-I557 HydrophobicContact CD2-CD1 4.13Å; L537-L563 HydrophobicContact CD1-CD1 3.84Å; L537-V587 HydrophobicContact CD2-CG1 3.98Å; L537-V587 HydrophobicContact CD2-CG2 4.43Å; L537-V590 HydrophobicContact CD2-CB 4.03Å; L537-V590 HydrophobicContact CD2-CG1 3.76Å; L537-V590 HydrophobicContact CG-CG1 4.12Å
538R88.1Confident82.9Confident114 Ų11456.7 Ų56.743%0.4332%0.317SS..Hα-helixtrans-64.9-39.3170.9-76.7-178.2-174.8145.710.3111.2V534 C535 L540 T541 G542 V544 E546V534-R538 VanDerWaalsContact CG1-CZ 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.41Å; V534-R538 PolarHBondContact O-N 3.4Å; C535-R538 PolarHBondContact O-N 2.67Å; R538-L540 VanDerWaalsContact C-N 3.27Å; R538-L540 PolarHBondContact O-N 3.49Å; R538-T541 PolarHBondContact O-N 3.42Å; R538-G542 VanDerWaalsContact O-CA 3.28Å; R538-G542 WeakPolarHBondContact O-CA 3.25Å; R538-G542 PolarHBondContact O-N 3.24Å; R538-V544 HydrophobicContact CG-CB 3.91Å; R538-V544 HydrophobicContact CG-CG2 3.98Å; R538-E546 IonicContact NH2-OE1 3.47Å; R538-E546 PolarHBondContact NH2-OE1 3.42Å
539N84.9Confident81.8Confident128 Ų12860 Ų6068%0.68435%0.352SS*.Hα-helixtrans-64.2-31173.9-68.8-16.4000113.1C535 H536 L537C535-N539 PolarHBondContact O-N 3Å; H536-N539 PolarHBondContact O-N 3.13Å; L537-N539 VanDerWaalsContact C-N 3.34Å
540L85.7Confident80.6Confident69 Ų6961.6 Ų61.636%0.36136%0.36SS..Hα-helixtrans-69.9-38.8178.5-178.470000112.7H536 L537 R538 F558 A586 V587 V590H536-L540 PolarHBondContact O-N 3.42Å; H536-L540 VanDerWaalsContact O-N 3.1Å; L537-L540 WeakPolarHBondContact O-CB 3.5Å; L537-L540 PolarHBondContact O-N 2.65Å; R538-L540 VanDerWaalsContact C-N 3.27Å; R538-L540 PolarHBondContact O-N 3.49Å; L540-F558 HydrophobicContact CD2-CE2 3.98Å; L540-F558 HydrophobicContact CD2-CZ 4.18Å; L540-F558 HydrophobicContact CG-CZ 4.21Å; L540-A586 HydrophobicContact CD2-CB 4.16Å; L540-V587 HydrophobicContact CD2-CG2 4.27Å; L540-V590 HydrophobicContact CB-CG2 4.38Å; L540-V590 HydrophobicContact CD1-CG2 4.3Å; L540-V590 HydrophobicContact CD2-CG2 3.94Å; L540-V590 HydrophobicContact CG-CG2 4.43Å
541T81.5Confident79.9Confident32 Ų3270.2 Ų70.220%0.19640%0.402CS..Hα-helixtrans-129.3-14.9-164.574.40000115.2L537 R538 D543 V544 I557 F558L537-T541 PolarHBondContact O-N 3.26Å; L537-T541 PolarHBondContact O-OG1 3.06Å; R538-T541 PolarHBondContact O-N 3.42Å; T541-D543 PolarHBondContact O-N 2.99Å; T541-D543 PolarHBondContact OG1-N 3.02Å; T541-D543 PolarHBondContact OG1-O 3.24Å; T541-V544 WeakPolarHBondContact OG1-CG2 3.26Å; T541-I557 HydrophobicContact CG2-CG2 3.7Å; T541-F558 HydrophobicContact CG2-CD1 3.84Å; T541-F558 HydrophobicContact CG2-CD2 3.84Å; T541-F558 HydrophobicContact CG2-CE1 3.39Å; T541-F558 HydrophobicContact CG2-CE2 3.4Å; T541-F558 HydrophobicContact CG2-CG 4.06Å; T541-F558 HydrophobicContact CG2-CZ 3.18Å
542G69.3Low79.8Confident67 Ų6771.1 Ų71.169%0.69140%0.395SS*.SBendtrans69.4-37.1-170.100000114.3R538R538-G542 VanDerWaalsContact O-CA 3.28Å; R538-G542 WeakPolarHBondContact O-CA 3.25Å; R538-G542 PolarHBondContact O-N 3.24Å
543D73.3Confident80Confident71 Ų7176.4 Ų76.438%0.3842%0.418SS..  trans-113.581.8-170.4-160.89000110.7T541 K559T541-D543 PolarHBondContact O-N 2.99Å; T541-D543 PolarHBondContact OG1-N 3.02Å; T541-D543 PolarHBondContact OG1-O 3.24Å; D543-K559 WeakPolarHBondContact OD2-CE 3.28Å; D543-K559 IonicContact OD2-NZ 2.81Å; D543-K559 PolarHBondContact OD2-NZ 3.12Å
544V86.8Confident80.2Confident14 Ų1477 Ų779%0.08542%0.422CS..EExtended strand (participates in β ladder)trans-110.6112.7173.3-179.30000109.1L537 R538 T541 L555 I557L537-V544 HydrophobicContact CB-CG2 4.11Å; L537-V544 WeakPolarHBondContact O-CG2 3.36Å; R538-V544 HydrophobicContact CG-CB 3.91Å; R538-V544 HydrophobicContact CG-CG2 3.98Å; T541-V544 WeakPolarHBondContact OG1-CG2 3.26Å; V544-L555 HydrophobicContact CG1-CB 4.2Å; V544-L555 HydrophobicContact CG1-CD1 4.4Å; V544-L555 HydrophobicContact CG1-CD2 3.96Å; V544-L555 HydrophobicContact CG1-CG 4.42Å; V544-I557 HydrophobicContact CG1-CG1 4.31Å
545E87.4Confident80.4Confident80 Ų8076.8 Ų76.837%0.37442%0.42SS..EExtended strand (participates in β ladder)trans-91.4122.8179.3-64.4172.6-175.300109.8L555 K556E545-L555 WeakPolarHBondContact O-CA 3.21Å; E545-K556 HydrophobicContact CB-CB 4.31Å; E545-K556 PolarHBondContact N-O 3.42Å; E545-K556 PolarHBondContact O-N 3.26Å
546E85.9Confident80.8Confident90 Ų9078.4 Ų78.442%0.42142%0.423SS..EExtended strand (participates in β ladder)trans-81.1123.8166.6-85.9174.7-13800108.8R538 D548 L555R538-E546 IonicContact NH2-OE1 3.47Å; R538-E546 PolarHBondContact NH2-OE1 3.42Å; E546-D548 PolarHBondContact O-N 3.42Å; E546-L555 HydrophobicContact CB-CD2 4.37Å; E546-L555 HydrophobicContact CG-CD2 3.29Å
547L82.8Confident81Confident73 Ų7375.6 Ų75.638%0.38241%0.41SS..  trans-89.4101.8179.4-66.3175.8000109.6T554 K556L547-T554 HydrophobicContact CD1-CG2 4.01Å; L547-T554 PolarHBondContact N-O 2.85Å; L547-K556 HydrophobicContact CD1-CB 4.34Å; L547-K556 HydrophobicContact CG-CB 4.45Å
548D62.4Low81.1Confident163 Ų16378.3 Ų78.387%0.87242%0.421SS*.THydrogen-bonded Turntrans-72.4127.9175.4-73.5-34.6000111.3E546E546-D548 PolarHBondContact O-N 3.42Å
549G59.4Low81.1Confident85 Ų8578.7 Ų78.788%0.87643%0.426SS*.THydrogen-bonded Turntrans119.62.5171.600000117.2
550T59.2Low81.4Confident79 Ų7974.7 Ų74.749%0.48541%0.409SS..  trans-96.8144.4170.9520000111.4K552 T554T550-K552 PolarHBondContact O-N 3.19Å; T550-K552 PolarHBondContact OG1-O 3.33Å; T550-T554 PolarHBondContact OG1-OG1 3.46Å
551E69.4Low81.7Confident211 Ų21171.4 Ų71.499%0.98639%0.391SS*.SBendtrans-57.6-20.6176.3-73.2-173.7161.800113.1
552K82.1Confident82.4Confident102 Ų10271.4 Ų71.444%0.44339%0.391SS..SBendtrans-109.6152.1177.1-63.5176.3176.5179.10110.4T550 T554 V564 E566T550-K552 PolarHBondContact O-N 3.19Å; T550-K552 PolarHBondContact OG1-O 3.33Å; K552-T554 PolarHBondContact O-N 2.96Å; K552-T554 PolarHBondContact O-OG1 3.47Å; K552-V564 HydrophobicContact CB-CG1 3.84Å; K552-V564 HydrophobicContact CD-CG1 3.81Å; K552-V564 HydrophobicContact CG-CG1 4.46Å; K552-E566 HydrophobicContact CD-CG 4.18Å; K552-E566 IonicContact NZ-OE1 3.41Å; K552-E566 PolarHBondContact NZ-OE1 3.02Å; K552-E566 IonicContact NZ-OE2 3.83Å
553K87Confident83.5Confident123 Ų12368.2 Ų68.254%0.53536%0.358SS..EExtended strand (participates in β ladder)trans-74.3116.2176.6-65.8-173.7177.9-171.70109.6Y530 H565Y530-K553 HydrophobicContact CD1-CD 3.72Å; Y530-K553 HydrophobicContact CD2-CD 4.23Å; Y530-K553 HydrophobicContact CE1-CB 4.33Å; Y530-K553 HydrophobicContact CE1-CD 3.69Å; Y530-K553 HydrophobicContact CE2-CB 3.86Å; Y530-K553 HydrophobicContact CE2-CD 4.22Å; Y530-K553 HydrophobicContact CG-CD 3.98Å; K553-H565 HydrophobicContact CB-CB 4.28Å; K553-H565 PolarHBondContact O-N 3.26Å
554T91.6Very high84.5Confident14 Ų1466.1 Ų66.19%0.08635%0.348CS..EExtended strand (participates in β ladder)trans-123.1131.8-173-49.80000110.9L547 T550 K552 T562 L563 V564L547-T554 HydrophobicContact CD1-CG2 4.01Å; L547-T554 PolarHBondContact N-O 2.85Å; T550-T554 PolarHBondContact OG1-OG1 3.46Å; K552-T554 PolarHBondContact O-N 2.96Å; K552-T554 PolarHBondContact O-OG1 3.47Å; T554-T562 HydrophobicContact CG2-CG2 3.58Å; T554-L563 CarbonylContact C-O 3.42Å; T554-L563 WeakPolarHBondContact CA-O 3.44Å; T554-V564 HydrophobicContact CG2-CG2 4.07Å
555L91.4Very high84.6Confident0 Ų067.5 Ų67.50%035%0.354CS..EExtended strand (participates in β ladder)trans-113.7143.9174.9-59.1172.8000109.9Y530 V534 L537 V544 E545 E546 I557 T562 L563Y530-L555 HydrophobicContact CE2-CD1 4.31Å; Y530-L555 HydrophobicContact CE2-CG 4.49Å; Y530-L555 VanDerWaalsContact OH-CD2 3.24Å; Y530-L555 WeakPolarHBondContact OH-CD2 3.28Å; Y530-L555 WeakPolarHBondContact OH-CG 3.19Å; V534-L555 HydrophobicContact CG2-CD1 3.81Å; V534-L555 HydrophobicContact CG2-CD2 4.14Å; L537-L555 HydrophobicContact CD1-CD1 3.85Å; V544-L555 HydrophobicContact CG1-CB 4.2Å; V544-L555 HydrophobicContact CG1-CD1 4.4Å; V544-L555 HydrophobicContact CG1-CD2 3.96Å; V544-L555 HydrophobicContact CG1-CG 4.42Å; E545-L555 WeakPolarHBondContact O-CA 3.21Å; E546-L555 HydrophobicContact CB-CD2 4.37Å; E546-L555 HydrophobicContact CG-CD2 3.29Å; L555-I557 HydrophobicContact CB-CG1 4.31Å; L555-T562 CarbonylContact O-C 3.59Å; L555-T562 WeakPolarHBondContact O-CA 3.48Å; L555-L563 HydrophobicContact CB-CB 4.28Å; L555-L563 HydrophobicContact CD1-CD2 4.29Å; L555-L563 PolarHBondContact N-O 3Å; L555-L563 PolarHBondContact O-N 3.39Å
556K92.1Very high84.7Confident73 Ų7366.5 Ų66.532%0.31735%0.349SS..EExtended strand (participates in β ladder)trans-112.6120167.8-161.8171.3-178.3179.30109.2E545 L547 K559 I561E545-K556 HydrophobicContact CB-CB 4.31Å; E545-K556 PolarHBondContact N-O 3.42Å; E545-K556 PolarHBondContact O-N 3.26Å; L547-K556 HydrophobicContact CD1-CB 4.34Å; L547-K556 HydrophobicContact CG-CB 4.45Å; K556-K559 WeakPolarHBondContact CE-O 3.32Å; K556-I561 WeakPolarHBondContact CA-O 3.46Å
557I91.9Very high84.6Confident0 Ų069.4 Ų69.40%037%0.373CS..EExtended strand (participates in β ladder)trans-119.2136.5-171.7-49.8155000108L537 T541 V544 L555 K559 S560 I561 L563 V587L537-I557 HydrophobicContact CD1-CD1 3.86Å; L537-I557 HydrophobicContact CD2-CD1 4.13Å; T541-I557 HydrophobicContact CG2-CG2 3.7Å; V544-I557 HydrophobicContact CG1-CG1 4.31Å; L555-I557 HydrophobicContact CB-CG1 4.31Å; I557-K559 PolarHBondContact O-N 3.25Å; I557-S560 PolarHBondContact O-N 3.15Å; I557-S560 VanDerWaalsContact O-N 3.15Å; I557-I561 HydrophobicContact CB-CB 4.43Å; I557-I561 PolarHBondContact N-O 3.31Å; I557-I561 PolarHBondContact O-N 2.76Å; I557-L563 HydrophobicContact CD1-CB 3.84Å; I557-L563 HydrophobicContact CD1-CD1 3.99Å; I557-V587 HydrophobicContact CB-CG2 4.24Å; I557-V587 HydrophobicContact CD1-CG1 3.7Å; I557-V587 HydrophobicContact CD1-CG2 4.01Å; I557-V587 HydrophobicContact CG2-CG2 3.72Å
558F90.6Very high84.8Confident56 Ų5667.8 Ų67.825%0.24637%0.373CS..THydrogen-bonded Turntrans52.223.2-173.1-61.9-72.8000114L540 T541 S560 F583 V587L540-F558 HydrophobicContact CD2-CE2 3.98Å; L540-F558 HydrophobicContact CD2-CZ 4.18Å; L540-F558 HydrophobicContact CG-CZ 4.21Å; T541-F558 HydrophobicContact CG2-CD1 3.84Å; T541-F558 HydrophobicContact CG2-CD2 3.84Å; T541-F558 HydrophobicContact CG2-CE1 3.39Å; T541-F558 HydrophobicContact CG2-CE2 3.4Å; T541-F558 HydrophobicContact CG2-CG 4.06Å; T541-F558 HydrophobicContact CG2-CZ 3.18Å; F558-S560 WeakPolarHBondContact O-CB 3.4Å; F558-S560 PolarHBondContact O-N 3.19Å; F558-S560 PolarHBondContact O-OG 3.24Å; F558-F583 HydrophobicContact CB-CB 4.4Å; F558-F583 HydrophobicContact CB-CD1 4.48Å; F558-F583 HydrophobicContact CB-CD2 3.82Å; F558-F583 HydrophobicContact CB-CE2 4.17Å; F558-F583 HydrophobicContact CB-CG 4.01Å; F558-F583 AromaticContact CD1-CD1 3.95Å; F558-F583 HydrophobicContact CD1-CD1 3.95Å; F558-F583 AromaticContact CD1-CE1 3.96Å; F558-F583 HydrophobicContact CD1-CE1 3.96Å; F558-F583 HydrophobicContact CD1-CG 4.31Å; F558-F583 HydrophobicContact CD1-CZ 4.32Å; F558-F583 HydrophobicContact CD2-CB 3.61Å; F558-F583 AromaticContact CD2-CD1 3.86Å; F558-F583 HydrophobicContact CD2-CD1 3.86Å; F558-F583 HydrophobicContact CD2-CD2 4.41Å; F558-F583 AromaticContact CD2-CG 3.73Å; F558-F583 HydrophobicContact CD2-CG 3.73Å; F558-F583 AromaticContact CE1-CD1 3.98Å; F558-F583 HydrophobicContact CE1-CD1 3.98Å; F558-F583 HydrophobicContact CE1-CE1 4.04Å; F558-F583 HydrophobicContact CE2-CB 4.03Å; F558-F583 AromaticContact CE2-CD1 3.89Å; F558-F583 HydrophobicContact CE2-CD1 3.89Å; F558-F583 HydrophobicContact CE2-CG 4.16Å; F558-F583 HydrophobicContact CG-CB 4.16Å; F558-F583 AromaticContact CG-CD1 3.87Å; F558-F583 HydrophobicContact CG-CD1 3.87Å; F558-F583 HydrophobicContact CG-CD2 4.1Å; F558-F583 HydrophobicContact CG-CE1 4.27Å; F558-F583 HydrophobicContact CG-CE2 4.47Å; F558-F583 AromaticContact CG-CG 3.79Å; F558-F583 HydrophobicContact CG-CG 3.79Å; F558-F583 AromaticContact CZ-CD1 3.93Å; F558-F583 HydrophobicContact CZ-CD1 3.93Å; F558-F583 HydrophobicContact CZ-CE1 4.4Å; F558-V587 HydrophobicContact CD2-CG2 4.33Å; F558-V587 HydrophobicContact CE2-CG2 4.21Å
559K89.1Confident86.3Confident122 Ų12262.7 Ų62.753%0.5335%0.345SS..THydrogen-bonded Turntrans57.25.8-174.5-59.3178.8178.1163.70115.3D543 K556 I557D543-K559 WeakPolarHBondContact OD2-CE 3.28Å; D543-K559 IonicContact OD2-NZ 2.81Å; D543-K559 PolarHBondContact OD2-NZ 3.12Å; K556-K559 WeakPolarHBondContact CE-O 3.32Å; I557-K559 PolarHBondContact O-N 3.25Å
560S90Very high87.9Confident45 Ų4558.6 Ų58.632%0.31530%0.303SS..THydrogen-bonded Turntrans-135.4-22.7-166.1-52.90000113.4I557 F558 N580I557-S560 PolarHBondContact O-N 3.15Å; I557-S560 VanDerWaalsContact O-N 3.15Å; F558-S560 WeakPolarHBondContact O-CB 3.4Å; F558-S560 PolarHBondContact O-N 3.19Å; F558-S560 PolarHBondContact O-OG 3.24Å; S560-N580 WeakPolarHBondContact CB-OD1 3.44Å
561I93.4Very high89.6Confident0 Ų056.2 Ų56.20%029%0.288CS..EExtended strand (participates in β ladder)trans-106.4125.1177.1-47.1-54.8000108.7K556 I557 L572 W574 N580 F583 A584K556-I561 WeakPolarHBondContact CA-O 3.46Å; I557-I561 HydrophobicContact CB-CB 4.43Å; I557-I561 PolarHBondContact N-O 3.31Å; I557-I561 PolarHBondContact O-N 2.76Å; I561-L572 HydrophobicContact CG2-CD2 4.26Å; I561-W574 HydrophobicContact CD1-CB 3.4Å; I561-W574 VanDerWaalsContact CD1-CB 3.4Å; I561-W574 HydrophobicContact CD1-CD2 4.48Å; I561-W574 HydrophobicContact CD1-CG 3.79Å; I561-N580 HydrophobicContact CD1-CB 4.18Å; I561-N580 WeakPolarHBondContact CD1-O 3.39Å; I561-F583 HydrophobicContact CD1-CB 4.03Å; I561-F583 HydrophobicContact CG1-CB 3.81Å; I561-A584 HydrophobicContact CD1-CB 4.09Å
562T94.3Very high90.8Very high32 Ų3246.1 Ų46.120%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-100.6124.6174.1-56.20000108.6T554 L555 V564 L572 E573T554-T562 HydrophobicContact CG2-CG2 3.58Å; L555-T562 CarbonylContact O-C 3.59Å; L555-T562 WeakPolarHBondContact O-CA 3.48Å; T562-V564 HydrophobicContact CG2-CG2 4.24Å; T562-L572 CarbonylContact O-C 3.57Å; T562-L572 WeakPolarHBondContact O-CA 3.39Å; T562-E573 PolarHBondContact N-O 3.47Å; T562-E573 PolarHBondContact O-N 2.99Å
563L93.6Very high91.4Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-110.7118.6173.7-176.5163.3000109L533 L537 T554 L555 I557 H565 V570 V571 L572 V587 V591L533-L563 HydrophobicContact CD2-CD1 4.26Å; L533-L563 HydrophobicContact CD2-CD2 4.47Å; L537-L563 HydrophobicContact CD1-CD1 3.84Å; T554-L563 CarbonylContact C-O 3.42Å; T554-L563 WeakPolarHBondContact CA-O 3.44Å; L555-L563 HydrophobicContact CB-CB 4.28Å; L555-L563 HydrophobicContact CD1-CD2 4.29Å; L555-L563 PolarHBondContact N-O 3Å; L555-L563 PolarHBondContact O-N 3.39Å; I557-L563 HydrophobicContact CD1-CB 3.84Å; I557-L563 HydrophobicContact CD1-CD1 3.99Å; L563-H565 HydrophobicContact CD2-CB 4.47Å; L563-V570 HydrophobicContact CD2-CB 4.08Å; L563-V570 HydrophobicContact CD2-CG1 3.87Å; L563-V570 HydrophobicContact CG-CB 4.23Å; L563-V570 HydrophobicContact CG-CG1 4.5Å; L563-V571 CarbonylContact C-O 3.58Å; L563-V571 WeakPolarHBondContact CA-O 3.46Å; L563-L572 HydrophobicContact CB-CD2 3.66Å; L563-L572 HydrophobicContact CD1-CD2 3.69Å; L563-L572 HydrophobicContact CG-CD2 3.65Å; L563-V587 HydrophobicContact CD1-CG1 4.18Å; L563-V591 HydrophobicContact CD1-CG2 4.13Å
564V93.2Very high91.8Very high27 Ų2738.7 Ų38.716%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-105.1121.3174.7-1750000108.6K552 T554 T562 E566 V570 V571K552-V564 HydrophobicContact CB-CG1 3.84Å; K552-V564 HydrophobicContact CD-CG1 3.81Å; K552-V564 HydrophobicContact CG-CG1 4.46Å; T554-V564 HydrophobicContact CG2-CG2 4.07Å; T562-V564 HydrophobicContact CG2-CG2 4.24Å; V564-E566 HydrophobicContact CG1-CG 4.22Å; V564-V570 CarbonylContact O-C 3.49Å; V564-V570 WeakPolarHBondContact O-CA 3.33Å; V564-V571 HydrophobicContact CB-CB 4.41Å; V564-V571 PolarHBondContact N-O 3.4Å; V564-V571 PolarHBondContact O-N 2.85Å
565H89.9Confident92Very high43 Ų4341 Ų4120%0.19922%0.223CC..EExtended strand (participates in β ladder)trans-89.1122.6176.5180-79000110.8F526 Y530 K553 L563 V570F526-H565 AromaticContact CD1-CD2 3.97Å; F526-H565 AromaticContact CD1-NE2 3.89Å; Y530-H565 HydrophobicContact CD2-CB 3.72Å; Y530-H565 AromaticContact CD2-CD2 3.61Å; Y530-H565 AromaticContact CD2-CG 3.59Å; Y530-H565 HydrophobicContact CE2-CB 3.69Å; K553-H565 HydrophobicContact CB-CB 4.28Å; K553-H565 PolarHBondContact O-N 3.26Å; L563-H565 HydrophobicContact CD2-CB 4.47Å; H565-V570 HydrophobicContact CB-CG1 4.28Å
566E88.7Confident92Very high59 Ų5942.3 Ų42.328%0.27623%0.234SC..EExtended strand (participates in β ladder)trans-120.5172.4178.8-56.3-162.9170.700110.9K552 V564 G568 M569K552-E566 HydrophobicContact CD-CG 4.18Å; K552-E566 IonicContact NZ-OE1 3.41Å; K552-E566 PolarHBondContact NZ-OE1 3.02Å; K552-E566 IonicContact NZ-OE2 3.83Å; V564-E566 HydrophobicContact CG1-CG 4.22Å; E566-G568 PolarHBondContact O-N 3.49Å; E566-M569 CarbonylContact C-O 3.57Å; E566-M569 WeakPolarHBondContact CA-O 3.32Å; E566-M569 HydrophobicContact CB-CG 4.01Å; E566-M569 PolarHBondContact N-O 2.91Å; E566-M569 PolarHBondContact O-N 2.81Å
567V84.3Confident91.9Very high151 Ų15141.4 Ų41.492%0.91523%0.233SC*.THydrogen-bonded Turntrans-68.3110.7179.3-178.90000109.2
568G86.8Confident91.9Very high38 Ų3847 Ų4739%0.39227%0.268SS..THydrogen-bonded Turntrans84.33.8176.500000115.4F526 E566F526-G568 PolarHBondContact N-O 3.38Å; F526-G568 CarbonylContact O-C 3.57Å; F526-G568 VanDerWaalsContact O-CA 3.3Å; F526-G568 WeakPolarHBondContact O-CA 3.18Å; E566-G568 PolarHBondContact O-N 3.49Å
569M93.4Very high92Very high56 Ų5649.6 Ų49.628%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-159.3161.3179.559-172.9-75.700113.2A523 I524 F526 E566 V571A523-M569 HydrophobicContact CB-CE 3.3Å; I524-M569 CarbonylContact O-C 3.59Å; I524-M569 VanDerWaalsContact O-CA 3.29Å; I524-M569 WeakPolarHBondContact O-CA 3.24Å; I524-M569 WeakPolarHBondContact O-CB 3.44Å; F526-M569 PolarHBondContact O-N 3.18Å; E566-M569 CarbonylContact C-O 3.57Å; E566-M569 WeakPolarHBondContact CA-O 3.32Å; E566-M569 HydrophobicContact CB-CG 4.01Å; E566-M569 PolarHBondContact N-O 2.91Å; E566-M569 PolarHBondContact O-N 2.81Å; M569-V571 HydrophobicContact CE-CG2 3.59Å
570V93.8Very high92.2Very high0 Ų044.7 Ų44.70%026%0.264CS..EExtended strand (participates in β ladder)trans-116.7139.3164.5-69.40000109.5I524 F526 L533 L563 V564 H565 V591I524-V570 HydrophobicContact CB-CG2 4.05Å; I524-V570 PolarHBondContact N-O 3.04Å; I524-V570 PolarHBondContact O-N 3Å; F526-V570 HydrophobicContact CB-CB 4.49Å; F526-V570 HydrophobicContact CB-CG1 4.07Å; F526-V570 HydrophobicContact CB-CG2 3.98Å; F526-V570 HydrophobicContact CD1-CG1 3.94Å; F526-V570 HydrophobicContact CG-CG1 4.14Å; F526-V570 HydrophobicContact CG-CG2 4.49Å; L533-V570 HydrophobicContact CD2-CG1 3.92Å; L563-V570 HydrophobicContact CD2-CB 4.08Å; L563-V570 HydrophobicContact CD2-CG1 3.87Å; L563-V570 HydrophobicContact CG-CB 4.23Å; L563-V570 HydrophobicContact CG-CG1 4.5Å; V564-V570 CarbonylContact O-C 3.49Å; V564-V570 WeakPolarHBondContact O-CA 3.33Å; H565-V570 HydrophobicContact CB-CG1 4.28Å; V570-V591 HydrophobicContact CG2-CB 4.39Å; V570-V591 HydrophobicContact CG2-CG1 3.43Å; V570-V591 VanDerWaalsContact CG2-CG1 3.43Å; V570-V591 HydrophobicContact CG2-CG2 4.01Å
571V94.3Very high92.4Very high28 Ų2844.9 Ų44.917%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-107.6117.1176-178.50000108.2Q522 L563 V564 M569Q522-V571 CarbonylContact O-C 3.58Å; Q522-V571 WeakPolarHBondContact O-CA 3.48Å; L563-V571 CarbonylContact C-O 3.58Å; L563-V571 WeakPolarHBondContact CA-O 3.46Å; V564-V571 HydrophobicContact CB-CB 4.41Å; V564-V571 PolarHBondContact N-O 3.4Å; V564-V571 PolarHBondContact O-N 2.85Å; M569-V571 HydrophobicContact CE-CG2 3.59Å
572L95.2Very high92.5Very high0 Ų050 Ų500%029%0.287CS..EExtended strand (participates in β ladder)trans-88.8137167.9-60.5-178.2000109.3N521 Q522 I524 I561 T562 L563 W574 V587 T588N521-L572 CarbonylContact C-O 3.54Å; N521-L572 VanDerWaalsContact CA-O 3.27Å; N521-L572 WeakPolarHBondContact CA-O 3.41Å; Q522-L572 HydrophobicContact CB-CB 4.45Å; Q522-L572 PolarHBondContact N-O 3.1Å; Q522-L572 PolarHBondContact O-N 3.08Å; I524-L572 HydrophobicContact CD1-CD1 3.68Å; I524-L572 HydrophobicContact CD1-CG 4.12Å; I561-L572 HydrophobicContact CG2-CD2 4.26Å; T562-L572 CarbonylContact O-C 3.57Å; T562-L572 WeakPolarHBondContact O-CA 3.39Å; L563-L572 HydrophobicContact CB-CD2 3.66Å; L563-L572 HydrophobicContact CD1-CD2 3.69Å; L563-L572 HydrophobicContact CG-CD2 3.65Å; L572-W574 HydrophobicContact CB-CE3 4.1Å; L572-W574 HydrophobicContact CB-CZ3 3.79Å; L572-V587 HydrophobicContact CD1-CB 4.39Å; L572-V587 HydrophobicContact CD1-CG1 3.96Å; L572-V587 HydrophobicContact CD2-CG1 3.57Å; L572-V587 HydrophobicContact CG-CG1 4.44Å; L572-T588 WeakPolarHBondContact CD1-OG1 3.24Å
573E95.3Very high92.5Very high54 Ų5450.9 Ų50.925%0.25229%0.288SS..EExtended strand (participates in β ladder)trans-137125.3179.8169.9171.7114.900109.2K519 Q520 N521 T562K519-E573 HydrophobicContact CD-CG 4.43Å; K519-E573 WeakPolarHBondContact CE-OE1 3.45Å; K519-E573 WeakPolarHBondContact CE-OE2 3.49Å; K519-E573 HydrophobicContact CG-CG 4.44Å; K519-E573 IonicContact NZ-OE1 2.75Å; K519-E573 PolarHBondContact NZ-OE1 2.94Å; K519-E573 IonicContact NZ-OE2 2.66Å; K519-E573 PolarHBondContact NZ-OE2 3.19Å; Q520-E573 WeakPolarHBondContact O-CA 3.43Å; N521-E573 WeakPolarHBondContact OD1-CB 3.49Å; N521-E573 VanDerWaalsContact OD1-CG 3.23Å; N521-E573 WeakPolarHBondContact OD1-CG 3.47Å; N521-E573 PolarHBondContact OD1-OE2 3.36Å; T562-E573 PolarHBondContact N-O 3.47Å; T562-E573 PolarHBondContact O-N 2.99Å
574W95.4Very high92.5Very high14 Ų1450.9 Ų50.95%0.05329%0.288CS..EExtended strand (participates in β ladder)trans-152.1162.4177.869.8102.8000112.6K519 Q520 Q522 I561 L572 D581 A584K519-W574 CarbonylContact C-O 3.59Å; K519-W574 WeakPolarHBondContact CA-O 3.47Å; Q520-W574 HydrophobicContact CB-CD2 4.05Å; Q520-W574 HydrophobicContact CB-CE3 4.38Å; Q520-W574 HydrophobicContact CB-CH2 4.07Å; Q520-W574 HydrophobicContact CB-CZ2 3.71Å; Q520-W574 HydrophobicContact CB-CZ3 4.37Å; Q520-W574 HydrophobicContact CG-CZ2 4.5Å; Q520-W574 PolarHBondContact N-O 2.95Å; Q520-W574 PolarHBondContact O-N 3.48Å; Q522-W574 HydrophobicContact CB-CH2 3.97Å; Q522-W574 HydrophobicContact CB-CZ3 3.87Å; I561-W574 HydrophobicContact CD1-CB 3.4Å; I561-W574 VanDerWaalsContact CD1-CB 3.4Å; I561-W574 HydrophobicContact CD1-CD2 4.48Å; I561-W574 HydrophobicContact CD1-CG 3.79Å; L572-W574 HydrophobicContact CB-CE3 4.1Å; L572-W574 HydrophobicContact CB-CZ3 3.79Å; W574-D581 PolarHBondContact NE1-OD1 2.99Å; W574-A584 HydrophobicContact CD2-CB 3.63Å; W574-A584 VanDerWaalsContact CE2-CB 3.46Å; W574-A584 HydrophobicContact CE3-CB 3.85Å; W574-A584 HydrophobicContact CG-CB 4.25Å; W574-A584 HydrophobicContact CH2-CB 3.79Å; W574-A584 HydrophobicContact CZ2-CB 3.54Å; W574-A584 HydrophobicContact CZ3-CB 3.95Å
575V95.1Very high92.6Very high64 Ų6454.3 Ų54.339%0.38831%0.306SS..EExtended strand (participates in β ladder)trans-83.2120.1167.9173.60000108.4T517 N577 N580T517-V575 HydrophobicContact CG2-CB 4.39Å; T517-V575 HydrophobicContact CG2-CG1 3.4Å; T517-V575 VanDerWaalsContact CG2-CG1 3.4Å; T517-V575 HydrophobicContact CG2-CG2 4.14Å; V575-N577 PolarHBondContact O-N 3.29Å; V575-N577 PolarHBondContact O-ND2 2.74Å; V575-N580 VanDerWaalsContact O-CB 3.32Å; V575-N580 WeakPolarHBondContact O-CB 3.33Å; V575-N580 PolarHBondContact O-ND2 3.18Å
576A91.2Very high92.8Very high27 Ų2753.8 Ų53.822%0.22331%0.308CS..  trans-66.9125.1-174.600000111.5V518 Q520 D581V518-A576 HydrophobicContact CB-CB 4.19Å; V518-A576 HydrophobicContact CG1-CB 4.12Å; V518-A576 PolarHBondContact O-N 3.08Å; Q520-A576 HydrophobicContact CG-CB 3.94Å; A576-D581 WeakPolarHBondContact CA-OD1 3.4Å
577N90.9Very high93Very high54 Ų5451 Ų5129%0.28930%0.295SS..SBendtrans-168161.3170.463.669.7000108.6V575 L579 N580 D581V575-N577 PolarHBondContact O-N 3.29Å; V575-N577 PolarHBondContact O-ND2 2.74Å; N577-L579 PolarHBondContact O-N 3.47Å; N577-L579 PolarHBondContact OD1-N 3.5Å; N577-L579 VanDerWaalsContact OD1-N 3.14Å; N577-N580 VanDerWaalsContact ND2-CG 3.27Å; N577-N580 PolarHBondContact ND2-ND2 3.34Å; N577-N580 PolarHBondContact O-N 3.24Å; N577-N580 VanDerWaalsContact O-N 3.08Å; N577-N580 PolarHBondContact OD1-N 3.46Å; N577-D581 PolarHBondContact N-OD1 3.41Å; N577-D581 WeakPolarHBondContact O-CB 3.27Å; N577-D581 PolarHBondContact O-N 3.15Å
578P90.8Very high93.5Very high116 Ų11644.4 Ų44.475%0.75326%0.255SS*.Hα-helixtrans-54.7-31.2-172.5-29.236000115.7M582P578-M582 PolarHBondContact O-N 3.22Å
579L93Very high93.7Very high111 Ų11146.7 Ų46.758%0.58126%0.262SS*.Hα-helixtrans-78-49.6177.5-75.7168.1000111.5N577 D581 M582 F583N577-L579 PolarHBondContact O-N 3.47Å; N577-L579 PolarHBondContact OD1-N 3.5Å; N577-L579 VanDerWaalsContact OD1-N 3.14Å; L579-D581 VanDerWaalsContact C-N 3.32Å; L579-D581 PolarHBondContact O-N 2.87Å; L579-M582 HydrophobicContact CD2-CE 4.46Å; L579-M582 WeakPolarHBondContact O-CB 3.1Å; L579-M582 PolarHBondContact O-N 3.27Å; L579-F583 HydrophobicContact CB-CE2 4.5Å; L579-F583 WeakPolarHBondContact O-CD2 3.41Å; L579-F583 WeakPolarHBondContact O-CG 3.41Å; L579-F583 PolarHBondContact O-N 3.37Å
580N94.1Very high93.6Very high19 Ų1944.6 Ų44.610%0.10225%0.252CS..Hα-helixtrans-68.1-32.7-179.3-70.6-4.2000112.2S560 I561 V575 N577 M582 F583 A584S560-N580 WeakPolarHBondContact CB-OD1 3.44Å; I561-N580 HydrophobicContact CD1-CB 4.18Å; I561-N580 WeakPolarHBondContact CD1-O 3.39Å; V575-N580 VanDerWaalsContact O-CB 3.32Å; V575-N580 WeakPolarHBondContact O-CB 3.33Å; V575-N580 PolarHBondContact O-ND2 3.18Å; N577-N580 VanDerWaalsContact ND2-CG 3.27Å; N577-N580 PolarHBondContact ND2-ND2 3.34Å; N577-N580 PolarHBondContact O-N 3.24Å; N577-N580 VanDerWaalsContact O-N 3.08Å; N577-N580 PolarHBondContact OD1-N 3.46Å; N580-M582 VanDerWaalsContact C-N 3.34Å; N580-F583 PolarHBondContact O-N 3.26Å; N580-A584 WeakPolarHBondContact O-CB 3.21Å; N580-A584 PolarHBondContact O-N 3.37Å
581D93.9Very high93.5Very high49 Ų4944.6 Ų44.626%0.26225%0.252SS..Hα-helixtrans-65.1-42.5176.1-61.1-14.1000109.8W574 A576 N577 L579 F583 A584 D585W574-D581 PolarHBondContact NE1-OD1 2.99Å; A576-D581 WeakPolarHBondContact CA-OD1 3.4Å; N577-D581 PolarHBondContact N-OD1 3.41Å; N577-D581 WeakPolarHBondContact O-CB 3.27Å; N577-D581 PolarHBondContact O-N 3.15Å; L579-D581 VanDerWaalsContact C-N 3.32Å; L579-D581 PolarHBondContact O-N 2.87Å; D581-F583 PolarHBondContact O-N 2.89Å; D581-A584 PolarHBondContact O-N 2.77Å; D581-D585 PolarHBondContact O-N 3.33Å
582M94.8Very high93.4Very high108 Ų10847.7 Ų47.753%0.53227%0.267SS..Hα-helixtrans-62.8-40.5173.1-176-174.168.700112.1P578 L579 N580 D585 A586P578-M582 PolarHBondContact O-N 3.22Å; L579-M582 HydrophobicContact CD2-CE 4.46Å; L579-M582 WeakPolarHBondContact O-CB 3.1Å; L579-M582 PolarHBondContact O-N 3.27Å; N580-M582 VanDerWaalsContact C-N 3.34Å; M582-D585 PolarHBondContact O-N 3.41Å; M582-A586 PolarHBondContact O-N 2.88Å
583F94.6Very high93Very high50 Ų5052.6 Ų52.622%0.21929%0.29CS..Hα-helixtrans-65.3-42174.5-66.1-30.3000112.1F558 I561 L579 N580 D581 D585 A586 V587F558-F583 HydrophobicContact CB-CB 4.4Å; F558-F583 HydrophobicContact CB-CD1 4.48Å; F558-F583 HydrophobicContact CB-CD2 3.82Å; F558-F583 HydrophobicContact CB-CE2 4.17Å; F558-F583 HydrophobicContact CB-CG 4.01Å; F558-F583 AromaticContact CD1-CD1 3.95Å; F558-F583 HydrophobicContact CD1-CD1 3.95Å; F558-F583 AromaticContact CD1-CE1 3.96Å; F558-F583 HydrophobicContact CD1-CE1 3.96Å; F558-F583 HydrophobicContact CD1-CG 4.31Å; F558-F583 HydrophobicContact CD1-CZ 4.32Å; F558-F583 HydrophobicContact CD2-CB 3.61Å; F558-F583 AromaticContact CD2-CD1 3.86Å; F558-F583 HydrophobicContact CD2-CD1 3.86Å; F558-F583 HydrophobicContact CD2-CD2 4.41Å; F558-F583 AromaticContact CD2-CG 3.73Å; F558-F583 HydrophobicContact CD2-CG 3.73Å; F558-F583 AromaticContact CE1-CD1 3.98Å; F558-F583 HydrophobicContact CE1-CD1 3.98Å; F558-F583 HydrophobicContact CE1-CE1 4.04Å; F558-F583 HydrophobicContact CE2-CB 4.03Å; F558-F583 AromaticContact CE2-CD1 3.89Å; F558-F583 HydrophobicContact CE2-CD1 3.89Å; F558-F583 HydrophobicContact CE2-CG 4.16Å; F558-F583 HydrophobicContact CG-CB 4.16Å; F558-F583 AromaticContact CG-CD1 3.87Å; F558-F583 HydrophobicContact CG-CD1 3.87Å; F558-F583 HydrophobicContact CG-CD2 4.1Å; F558-F583 HydrophobicContact CG-CE1 4.27Å; F558-F583 HydrophobicContact CG-CE2 4.47Å; F558-F583 AromaticContact CG-CG 3.79Å; F558-F583 HydrophobicContact CG-CG 3.79Å; F558-F583 AromaticContact CZ-CD1 3.93Å; F558-F583 HydrophobicContact CZ-CD1 3.93Å; F558-F583 HydrophobicContact CZ-CE1 4.4Å; I561-F583 HydrophobicContact CD1-CB 4.03Å; I561-F583 HydrophobicContact CG1-CB 3.81Å; L579-F583 HydrophobicContact CB-CE2 4.5Å; L579-F583 WeakPolarHBondContact O-CD2 3.41Å; L579-F583 WeakPolarHBondContact O-CG 3.41Å; L579-F583 PolarHBondContact O-N 3.37Å; N580-F583 PolarHBondContact O-N 3.26Å; D581-F583 PolarHBondContact O-N 2.89Å; F583-D585 VanDerWaalsContact C-N 3.35Å; F583-A586 PolarHBondContact O-N 2.87Å; F583-V587 VanDerWaalsContact O-CG2 3.31Å; F583-V587 WeakPolarHBondContact O-CG2 3.31Å; F583-V587 PolarHBondContact O-N 3.22Å
584A93.9Very high92.6Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-63.2-40.4176.700000111.6I561 W574 N580 D581 V587 T588I561-A584 HydrophobicContact CD1-CB 4.09Å; W574-A584 HydrophobicContact CD2-CB 3.63Å; W574-A584 VanDerWaalsContact CE2-CB 3.46Å; W574-A584 HydrophobicContact CE3-CB 3.85Å; W574-A584 HydrophobicContact CG-CB 4.25Å; W574-A584 HydrophobicContact CH2-CB 3.79Å; W574-A584 HydrophobicContact CZ2-CB 3.54Å; W574-A584 HydrophobicContact CZ3-CB 3.95Å; N580-A584 WeakPolarHBondContact O-CB 3.21Å; N580-A584 PolarHBondContact O-N 3.37Å; D581-A584 PolarHBondContact O-N 2.77Å; A584-V587 PolarHBondContact O-N 2.91Å; A584-T588 VanDerWaalsContact O-CB 3.26Å; A584-T588 WeakPolarHBondContact O-CB 3.46Å; A584-T588 PolarHBondContact O-N 2.87Å; A584-T588 PolarHBondContact O-OG1 3.28Å
585D94.8Very high92.1Very high100 Ų10052.6 Ų52.654%0.53529%0.292SS..Hα-helixtrans-63.8-41.4174.8-78.5-18.1000112D581 M582 F583 T588 T589D581-D585 PolarHBondContact O-N 3.33Å; M582-D585 PolarHBondContact O-N 3.41Å; F583-D585 VanDerWaalsContact C-N 3.35Å; D585-T588 PolarHBondContact O-N 2.66Å; D585-T589 WeakPolarHBondContact O-CB 3.37Å; D585-T589 PolarHBondContact O-N 3.03Å; D585-T589 PolarHBondContact O-OG1 3.24Å
586A93.9Very high91.5Very high31 Ų3153.9 Ų53.926%0.25630%0.303SS..Hα-helixtrans-63.4-45.7175.800000111.6L540 M582 F583 T589 V590L540-A586 HydrophobicContact CD2-CB 4.16Å; M582-A586 PolarHBondContact O-N 2.88Å; F583-A586 PolarHBondContact O-N 2.87Å; A586-T589 WeakPolarHBondContact O-CB 3.47Å; A586-T589 PolarHBondContact O-N 3.07Å; A586-V590 PolarHBondContact O-N 3.5Å; A586-V590 VanDerWaalsContact O-N 3.12Å
587V93.3Very high90.6Very high0 Ų056.2 Ų56.20%031%0.312CS..Hα-helixtrans-63.1-43.4175.6173.20000111L537 L540 I557 F558 L563 L572 F583 A584 T589 V590 V591L537-V587 HydrophobicContact CD2-CG1 3.98Å; L537-V587 HydrophobicContact CD2-CG2 4.43Å; L540-V587 HydrophobicContact CD2-CG2 4.27Å; I557-V587 HydrophobicContact CB-CG2 4.24Å; I557-V587 HydrophobicContact CD1-CG1 3.7Å; I557-V587 HydrophobicContact CD1-CG2 4.01Å; I557-V587 HydrophobicContact CG2-CG2 3.72Å; F558-V587 HydrophobicContact CD2-CG2 4.33Å; F558-V587 HydrophobicContact CE2-CG2 4.21Å; L563-V587 HydrophobicContact CD1-CG1 4.18Å; L572-V587 HydrophobicContact CD1-CB 4.39Å; L572-V587 HydrophobicContact CD1-CG1 3.96Å; L572-V587 HydrophobicContact CD2-CG1 3.57Å; L572-V587 HydrophobicContact CG-CG1 4.44Å; F583-V587 VanDerWaalsContact O-CG2 3.31Å; F583-V587 WeakPolarHBondContact O-CG2 3.31Å; F583-V587 PolarHBondContact O-N 3.22Å; A584-V587 PolarHBondContact O-N 2.91Å; V587-T589 VanDerWaalsContact C-N 3.3Å; V587-T589 PolarHBondContact O-N 2.99Å; V587-V590 PolarHBondContact O-N 3.04Å; V587-V591 HydrophobicContact CG1-CG2 4.45Å; V587-V591 WeakPolarHBondContact O-CG2 3.32Å; V587-V591 PolarHBondContact O-N 3.28Å
588T94.3Very high88.9Confident13 Ų1357.5 Ų57.58%0.0832%0.323CS..Hα-helixtrans-58.2-43.6175.7-650000111.3Q522 I524 L572 A584 D585 V590 V591 L592Q522-T588 PolarHBondContact OE1-OG1 2.87Å; I524-T588 HydrophobicContact CD1-CG2 3.74Å; L572-T588 WeakPolarHBondContact CD1-OG1 3.24Å; A584-T588 VanDerWaalsContact O-CB 3.26Å; A584-T588 WeakPolarHBondContact O-CB 3.46Å; A584-T588 PolarHBondContact O-N 2.87Å; A584-T588 PolarHBondContact O-OG1 3.28Å; D585-T588 PolarHBondContact O-N 2.66Å; T588-V590 VanDerWaalsContact C-N 3.35Å; T588-V590 PolarHBondContact O-N 3.35Å; T588-V591 PolarHBondContact O-N 2.72Å; T588-L592 HydrophobicContact CG2-CD1 3.9Å; T588-L592 HydrophobicContact CG2-CG 4.35Å; T588-L592 WeakPolarHBondContact O-CB 3.48Å; T588-L592 VanDerWaalsContact O-CG 3.29Å; T588-L592 WeakPolarHBondContact O-CG 3.4Å; T588-L592 PolarHBondContact O-N 2.87Å
589T92.8Very high87.1Confident86 Ų8660.5 Ų60.553%0.52833%0.325SS..Hα-helixtrans-60.2-45.2177.6-57.60000111D585 A586 V587 L592 E593D585-T589 WeakPolarHBondContact O-CB 3.37Å; D585-T589 PolarHBondContact O-N 3.03Å; D585-T589 PolarHBondContact O-OG1 3.24Å; A586-T589 WeakPolarHBondContact O-CB 3.47Å; A586-T589 PolarHBondContact O-N 3.07Å; V587-T589 VanDerWaalsContact C-N 3.3Å; V587-T589 PolarHBondContact O-N 2.99Å; T589-L592 PolarHBondContact O-N 3.28Å; T589-E593 WeakPolarHBondContact O-CB 3.5Å; T589-E593 PolarHBondContact O-N 3.47Å
590V91.3Very high85.2Confident13 Ų1356.7 Ų56.78%0.07931%0.309CS..Hα-helixtrans-62.8-44.3176.2173.40000111.7H536 L537 L540 A586 V587 T588 L592 E593 V594H536-V590 HydrophobicContact CB-CG1 3.7Å; L537-V590 HydrophobicContact CD2-CB 4.03Å; L537-V590 HydrophobicContact CD2-CG1 3.76Å; L537-V590 HydrophobicContact CG-CG1 4.12Å; L540-V590 HydrophobicContact CB-CG2 4.38Å; L540-V590 HydrophobicContact CD1-CG2 4.3Å; L540-V590 HydrophobicContact CD2-CG2 3.94Å; L540-V590 HydrophobicContact CG-CG2 4.43Å; A586-V590 PolarHBondContact O-N 3.5Å; A586-V590 VanDerWaalsContact O-N 3.12Å; V587-V590 PolarHBondContact O-N 3.04Å; T588-V590 VanDerWaalsContact C-N 3.35Å; T588-V590 PolarHBondContact O-N 3.35Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 3.25Å; V590-E593 PolarHBondContact O-N 2.97Å; V590-V594 HydrophobicContact CG1-CG2 4.35Å; V590-V594 VanDerWaalsContact O-CG2 3.31Å; V590-V594 WeakPolarHBondContact O-CG2 3.36Å; V590-V594 PolarHBondContact O-N 3.08Å
591V91.6Very high83.1Confident0 Ų060.7 Ų60.70%033%0.327CS..Hα-helixtrans-57.9-47.3176.6170.30000110.8I524 F526 L533 L563 V570 V587 T588 Q595I524-V591 HydrophobicContact CB-CG1 4.17Å; I524-V591 HydrophobicContact CD1-CB 4.46Å; I524-V591 HydrophobicContact CD1-CG1 4.27Å; I524-V591 HydrophobicContact CG2-CG1 3.7Å; F526-V591 HydrophobicContact CD2-CG1 4.05Å; L533-V591 HydrophobicContact CD1-CG2 3.9Å; L563-V591 HydrophobicContact CD1-CG2 4.13Å; V570-V591 HydrophobicContact CG2-CB 4.39Å; V570-V591 HydrophobicContact CG2-CG1 3.43Å; V570-V591 VanDerWaalsContact CG2-CG1 3.43Å; V570-V591 HydrophobicContact CG2-CG2 4.01Å; V587-V591 HydrophobicContact CG1-CG2 4.45Å; V587-V591 WeakPolarHBondContact O-CG2 3.32Å; V587-V591 PolarHBondContact O-N 3.28Å; T588-V591 PolarHBondContact O-N 2.72Å; V591-Q595 WeakPolarHBondContact O-CB 3.5Å; V591-Q595 PolarHBondContact O-N 2.99Å
592L90.8Very high80.8Confident92 Ų9266.9 Ų66.948%0.48235%0.352SS..Hα-helixtrans-66.4-38.6179.3-69.2173.8000112.1I524 T588 T589 V590 Q595 S596I524-L592 HydrophobicContact CG2-CD2 3.87Å; I524-L592 HydrophobicContact CG2-CG 4.49Å; T588-L592 HydrophobicContact CG2-CD1 3.9Å; T588-L592 HydrophobicContact CG2-CG 4.35Å; T588-L592 WeakPolarHBondContact O-CB 3.48Å; T588-L592 VanDerWaalsContact O-CG 3.29Å; T588-L592 WeakPolarHBondContact O-CG 3.4Å; T588-L592 PolarHBondContact O-N 2.87Å; T589-L592 PolarHBondContact O-N 3.28Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 3.25Å; L592-Q595 PolarHBondContact O-N 3.1Å; L592-S596 VanDerWaalsContact O-CB 3.28Å; L592-S596 WeakPolarHBondContact O-CB 3.46Å; L592-S596 PolarHBondContact O-N 3.34Å; L592-S596 PolarHBondContact O-OG 2.93Å
593E87.8Confident78.4Confident103 Ų10367 Ų6748%0.48136%0.359SS..Hα-helixtrans-61.4-51.7176.5-173.6-179.5177.900111T589 V590 Q595 S596 N597T589-E593 WeakPolarHBondContact O-CB 3.5Å; T589-E593 PolarHBondContact O-N 3.47Å; V590-E593 PolarHBondContact O-N 2.97Å; E593-Q595 VanDerWaalsContact C-N 3.29Å; E593-Q595 PolarHBondContact O-N 3.06Å; E593-S596 PolarHBondContact O-N 2.82Å; E593-S596 VanDerWaalsContact O-N 3.12Å; E593-S596 PolarHBondContact O-OG 3.38Å; E593-N597 PolarHBondContact O-N 3.12Å; E593-N597 VanDerWaalsContact O-N 3.13Å
594V86.4Confident75.9Confident10 Ų1070.1 Ų70.16%0.06138%0.375CS..Hα-helixtrans-61.2-39.1178.5177.20000111.2F526 L532 L533 H536 V590F526-V594 HydrophobicContact CE2-CB 4.13Å; F526-V594 HydrophobicContact CE2-CG1 3.77Å; F526-V594 HydrophobicContact CZ-CG1 3.96Å; L532-V594 HydrophobicContact CD2-CG1 3.97Å; L532-V594 HydrophobicContact CG-CG1 4.11Å; L533-V594 HydrophobicContact CD1-CG2 4.4Å; H536-V594 HydrophobicContact CB-CG2 3.91Å; V590-V594 HydrophobicContact CG1-CG2 4.35Å; V590-V594 VanDerWaalsContact O-CG2 3.31Å; V590-V594 WeakPolarHBondContact O-CG2 3.36Å; V590-V594 PolarHBondContact O-N 3.08Å
595Q84.7Confident73.2Confident59 Ų5978.8 Ų78.828%0.27642%0.415SS..Hα-helixtrans-65.2-39.2175.8-17666.35.300112.4F526 T527 V591 L592 E593 N597F526-Q595 HydrophobicContact CD2-CB 4.12Å; F526-Q595 HydrophobicContact CE2-CB 4.49Å; T527-Q595 PolarHBondContact OG1-NE2 2.75Å; V591-Q595 WeakPolarHBondContact O-CB 3.5Å; V591-Q595 PolarHBondContact O-N 2.99Å; L592-Q595 PolarHBondContact O-N 3.1Å; E593-Q595 VanDerWaalsContact C-N 3.29Å; E593-Q595 PolarHBondContact O-N 3.06Å; Q595-N597 VanDerWaalsContact C-N 3.34Å
596S82.2Confident70.4Confident90 Ų9079.5 Ų79.563%0.62942%0.423SS*.Hα-helixtrans-77-18-176.573.40000114L592 E593 P598L592-S596 VanDerWaalsContact O-CB 3.28Å; L592-S596 WeakPolarHBondContact O-CB 3.46Å; L592-S596 PolarHBondContact O-N 3.34Å; L592-S596 PolarHBondContact O-OG 2.93Å; E593-S596 PolarHBondContact O-N 2.82Å; E593-S596 VanDerWaalsContact O-N 3.12Å; E593-S596 PolarHBondContact O-OG 3.38Å; S596-P598 VanDerWaalsContact C-CD 3.42Å; S596-P598 VanDerWaalsContact O-CD 3.24Å; S596-P598 WeakPolarHBondContact O-CD 3.32Å
597N72.4Confident67.9Low76 Ų7685.4 Ų85.441%0.40645%0.446SS..  trans-120.971-173.3-162.9-1.3000114.2E593 Q595 K599 A600E593-N597 PolarHBondContact O-N 3.12Å; E593-N597 VanDerWaalsContact O-N 3.13Å; Q595-N597 VanDerWaalsContact C-N 3.34Å; N597-K599 PolarHBondContact O-N 3.37Å; N597-K599 VanDerWaalsContact O-N 3.08Å; N597-A600 PolarHBondContact O-N 3.32Å
598P56.3Low65.2Low81 Ų8191.9 Ų91.953%0.52649%0.485SS..G310 helixtrans-65.8-10.3177.723.8-31.3000114.3S596 Q601S596-P598 VanDerWaalsContact C-CD 3.42Å; S596-P598 VanDerWaalsContact O-CD 3.24Å; S596-P598 WeakPolarHBondContact O-CD 3.32Å; P598-Q601 WeakPolarHBondContact O-CB 3.41Å; P598-Q601 WeakPolarHBondContact O-CG 3.48Å; P598-Q601 PolarHBondContact O-OE1 3.09Å
599K53.2Low62.8Low180 Ų18096.8 Ų96.878%0.78352%0.515SS*.G310 helixtrans-78.8-16.4179.6-70.8-176.8179.7177.40114N597 Q601N597-K599 PolarHBondContact O-N 3.37Å; N597-K599 VanDerWaalsContact O-N 3.08Å; K599-Q601 PolarHBondContact O-N 2.95Å
600A52Low60.7Low31 Ų3199 Ų9926%0.25653%0.529SS..G310 helixtrans-68.6-15.4173.900000113.2N597 K602 V603N597-A600 PolarHBondContact O-N 3.32Å; A600-K602 PolarHBondContact O-N 2.82Å; A600-K602 VanDerWaalsContact O-N 3.1Å; A600-V603 PolarHBondContact O-N 3.31Å
601Q50.4Low59.2Low103 Ų103100.6 Ų100.648%0.48154%0.536SS..G310 helixtrans-59-21.5179-75.6177.5-24.300114.7P529 L532 P598 K599P529-Q601 VanDerWaalsContact CD-NE2 3.29Å; P529-Q601 HydrophobicContact CG-CG 4.13Å; L532-Q601 HydrophobicContact CD2-CG 4.38Å; P598-Q601 WeakPolarHBondContact O-CB 3.41Å; P598-Q601 WeakPolarHBondContact O-CG 3.48Å; P598-Q601 PolarHBondContact O-OE1 3.09Å; K599-Q601 PolarHBondContact O-N 2.95Å
602K45Very low58Low179 Ų179105.1 Ų105.178%0.77856%0.561SS**G310 helixtrans-86.2-9.6-175.4-86.3-173.4174.5-175.50115.6A600A600-K602 PolarHBondContact O-N 2.82Å; A600-K602 VanDerWaalsContact O-N 3.1Å
603V43.9Very low56.8Low111 Ų111104.7 Ų104.767%0.67356%0.557SS**SBendtrans-95.4-20.5-169.5-177.30000113A600A600-V603 PolarHBondContact O-N 3.31Å
604M42.3Very low56Low114 Ų114105 Ų10556%0.56256%0.562SS**G310 helixtrans-89.6-9-175.4-81.2-17970.400115.9L532 C535 T606L532-M604 HydrophobicContact CD1-SD 3.74Å; C535-M604 HydrophobicContact CB-CE 4.26Å; C535-M604 HydrophobicContact CB-SD 4.44Å; M604-T606 PolarHBondContact O-N 3.06Å
605E37.1Very low55.6Low182 Ų182107.8 Ų107.885%0.8558%0.579SS**G310 helixtrans-77.4-4.7176.7-87.4-177.3165.300113.6
606T36.9Very low55.3Low115 Ų115105.1 Ų105.171%0.70657%0.567SS**G310 helixtrans-125.721.8-166.3-6.90000116.7M604M604-T606 PolarHBondContact O-N 3.06Å
607Q40.3Very low55.1Low156 Ų156103 Ų10373%0.72955%0.547SS*.  trans-12578.5170.5-78.9-174.4-17.200112.2
608T38.2Very low55.5Low135 Ų135103.2 Ų103.283%0.82855%0.551SS**  trans-119.170.9148.931.30000107.6T610T608-T610 PolarHBondContact O-N 3.41Å
609T43.4Very low56.8Low116 Ų116106.7 Ų106.771%0.71255%0.553SS**  trans-77.3100.6162.930.30000107.7M611T609-M611 PolarHBondContact O-N 3.18Å
610T48.6Very low58.2Low134 Ų13498.1 Ų98.182%0.82252%0.516SS*.  trans-62.8124.6163.433.50000108T608 D612T608-T610 PolarHBondContact O-N 3.41Å; T610-D612 PolarHBondContact O-N 3.28Å
611M58.7Low59.7Low45 Ų4599.3 Ų99.322%0.22252%0.517CS..  trans-62.1128.8179.2-164.9-18075.400109.4T609 M613 F616 Y683T609-M611 PolarHBondContact O-N 3.18Å; M611-M613 HydrophobicContact CE-SD 3.38Å; M611-M613 WeakPolarHBondContact CE-SD 2.92Å; M611-M613 PolarHBondContact O-N 3.24Å; M611-M613 VanDerWaalsContact O-N 3.13Å; M611-F616 HydrophobicContact CE-CB 3.79Å; M611-F616 HydrophobicContact CE-CD1 4.34Å; M611-F616 HydrophobicContact CE-CD2 4.07Å; M611-F616 HydrophobicContact CE-CG 3.8Å; M611-F616 HydrophobicContact SD-CB 4.48Å; M611-F616 HydrophobicContact SD-CD2 4.37Å; M611-Y683 HydrophobicContact CE-CD2 3.72Å; M611-Y683 HydrophobicContact CE-CE2 3.37Å; M611-Y683 HydrophobicContact SD-CD2 3.79Å; M611-Y683 HydrophobicContact SD-CE2 3.53Å; M611-Y683 VanDerWaalsContact SD-CE2 3.53Å
612D66.8Low61.3Low96 Ų9697.5 Ų97.551%0.51351%0.512SS..  trans-73.2103.1173.5-169.4-15.5000108.6T610 D614 V615 F616T610-D612 PolarHBondContact O-N 3.28Å; D612-D614 PolarHBondContact O-N 3.28Å; D612-D614 PolarHBondContact OD1-N 3.49Å; D612-V615 HydrophobicContact CB-CB 4.28Å; D612-V615 HydrophobicContact CB-CG2 3.92Å; D612-V615 WeakPolarHBondContact O-CB 3.3Å; D612-V615 PolarHBondContact O-N 3.36Å; D612-V615 VanDerWaalsContact O-N 3.1Å; D612-F616 PolarHBondContact O-N 2.83Å
613M67Low63.3Low82 Ų8291.1 Ų91.140%0.40449%0.486SS..Hα-helixtrans-62-27.1-175.2-71-63.5-64.600112.3M611 V615 F616 Q617 L654M611-M613 HydrophobicContact CE-SD 3.38Å; M611-M613 WeakPolarHBondContact CE-SD 2.92Å; M611-M613 PolarHBondContact O-N 3.24Å; M611-M613 VanDerWaalsContact O-N 3.13Å; M613-V615 VanDerWaalsContact C-N 3.33Å; M613-F616 PolarHBondContact O-N 3.37Å; M613-Q617 WeakPolarHBondContact O-CB 3.33Å; M613-Q617 PolarHBondContact O-N 3.04Å; M613-L654 VanDerWaalsContact CE-O 3.3Å; M613-L654 WeakPolarHBondContact CE-O 3.37Å
614D70.4Confident65.3Low111 Ų11185.9 Ų85.959%0.59445%0.454SS*.Hα-helixtrans-69-35.2177.2-71.8-10.8000111D612 T618D612-D614 PolarHBondContact O-N 3.28Å; D612-D614 PolarHBondContact OD1-N 3.49Å; D614-T618 WeakPolarHBondContact O-CB 3.26Å; D614-T618 PolarHBondContact O-N 3.4Å; D614-T618 VanDerWaalsContact O-N 3.09Å; D614-T618 PolarHBondContact O-OG1 2.73Å
615V77.3Confident67.3Low68 Ų6882.7 Ų82.741%0.41244%0.438SS..Hα-helixtrans-71-40.9175.9179.10000110.9D612 M613 R619D612-V615 HydrophobicContact CB-CB 4.28Å; D612-V615 HydrophobicContact CB-CG2 3.92Å; D612-V615 WeakPolarHBondContact O-CB 3.3Å; D612-V615 PolarHBondContact O-N 3.36Å; D612-V615 VanDerWaalsContact O-N 3.1Å; M613-V615 VanDerWaalsContact C-N 3.33Å; V615-R619 HydrophobicContact CG1-CG 4.43Å; V615-R619 WeakPolarHBondContact O-CB 3.39Å; V615-R619 WeakPolarHBondContact O-CG 3.13Å; V615-R619 PolarHBondContact O-N 2.84Å; V615-R619 VanDerWaalsContact O-N 3.11Å
616F79.6Confident69.5Low3 Ų380.7 Ų80.71%0.01343%0.433CS..Hα-helixtrans-61.3-47.6175.8177.2-101.7000111.3M611 D612 M613 R619 L620 V679 L682 Y683 L686M611-F616 HydrophobicContact CE-CB 3.79Å; M611-F616 HydrophobicContact CE-CD1 4.34Å; M611-F616 HydrophobicContact CE-CD2 4.07Å; M611-F616 HydrophobicContact CE-CG 3.8Å; M611-F616 HydrophobicContact SD-CB 4.48Å; M611-F616 HydrophobicContact SD-CD2 4.37Å; D612-F616 PolarHBondContact O-N 2.83Å; M613-F616 PolarHBondContact O-N 3.37Å; F616-R619 PolarHBondContact O-N 2.9Å; F616-L620 HydrophobicContact CE1-CD2 3.97Å; F616-L620 HydrophobicContact CZ-CD2 4.19Å; F616-L620 VanDerWaalsContact O-CB 3.29Å; F616-L620 WeakPolarHBondContact O-CB 3.34Å; F616-L620 PolarHBondContact O-N 2.74Å; F616-V679 HydrophobicContact CZ-CG1 4.28Å; F616-L682 HydrophobicContact CE2-CB 4.47Å; F616-L682 HydrophobicContact CE2-CD2 4.3Å; F616-L682 HydrophobicContact CE2-CG 4.19Å; F616-Y683 HydrophobicContact CD2-CD2 4.39Å; F616-Y683 HydrophobicContact CE2-CD2 4.03Å; F616-Y683 HydrophobicContact CE2-CG 4.44Å; F616-Y683 HydrophobicContact CZ-CD2 4.32Å; F616-L686 HydrophobicContact CB-CD1 4.43Å; F616-L686 HydrophobicContact CD2-CD1 3.77Å
617Q78.3Confident71.6Confident45 Ų4579.4 Ų79.421%0.2142%0.42CS..Hα-helixtrans-59.4-50.1178.8178.3179.5-19.600112.1M613 R619 L620 E621 L654M613-Q617 WeakPolarHBondContact O-CB 3.33Å; M613-Q617 PolarHBondContact O-N 3.04Å; Q617-R619 VanDerWaalsContact C-N 3.29Å; Q617-R619 PolarHBondContact O-N 3.06Å; Q617-L620 PolarHBondContact O-N 3.08Å; Q617-E621 PolarHBondContact O-N 3.16Å; Q617-L654 HydrophobicContact CB-CD1 4.39Å; Q617-L654 HydrophobicContact CG-CD1 3.71Å
618T80.3Confident73.7Confident81 Ų8173.8 Ų73.850%0.49739%0.393SS..Hα-helixtrans-61.4-38.8-179.1-520000111.6D614 V622D614-T618 WeakPolarHBondContact O-CB 3.26Å; D614-T618 PolarHBondContact O-N 3.4Å; D614-T618 VanDerWaalsContact O-N 3.09Å; D614-T618 PolarHBondContact O-OG1 2.73Å; T618-V622 WeakPolarHBondContact O-CG2 3.34Å; T618-V622 PolarHBondContact O-N 2.81Å
619R82.3Confident75.7Confident153 Ų15368.8 Ų68.858%0.57737%0.369SS*.Hα-helixtrans-73.8-35.4179.2-68.5-66.5-176.6-176.1-0.9112.4V615 F616 Q617 M623 L682 L686V615-R619 HydrophobicContact CG1-CG 4.43Å; V615-R619 WeakPolarHBondContact O-CB 3.39Å; V615-R619 WeakPolarHBondContact O-CG 3.13Å; V615-R619 PolarHBondContact O-N 2.84Å; V615-R619 VanDerWaalsContact O-N 3.11Å; F616-R619 PolarHBondContact O-N 2.9Å; Q617-R619 VanDerWaalsContact C-N 3.29Å; Q617-R619 PolarHBondContact O-N 3.06Å; R619-M623 VanDerWaalsContact O-CB 3.31Å; R619-M623 WeakPolarHBondContact O-CB 3.4Å; R619-M623 PolarHBondContact O-N 2.93Å; R619-L682 HydrophobicContact CB-CD1 4.36Å; R619-L682 HydrophobicContact CB-CD2 4.21Å; R619-L686 HydrophobicContact CB-CD1 4.49Å
620L84.3Confident77.4Confident0 Ų070.5 Ų70.50%037%0.369CS..Hα-helixtrans-65.8-43177.8-17859000110.9F616 Q617 M623 L624 I641 I652 L654 V679 L682F616-L620 HydrophobicContact CE1-CD2 3.97Å; F616-L620 HydrophobicContact CZ-CD2 4.19Å; F616-L620 VanDerWaalsContact O-CB 3.29Å; F616-L620 WeakPolarHBondContact O-CB 3.34Å; F616-L620 PolarHBondContact O-N 2.74Å; Q617-L620 PolarHBondContact O-N 3.08Å; L620-M623 HydrophobicContact CD1-CE 3.79Å; L620-M623 PolarHBondContact O-N 2.79Å; L620-L624 HydrophobicContact CD1-CD1 3.86Å; L620-L624 HydrophobicContact CD1-CG 4.08Å; L620-L624 HydrophobicContact CG-CD1 3.89Å; L620-L624 HydrophobicContact CG-CG 4.49Å; L620-L624 WeakPolarHBondContact O-CB 3.14Å; L620-L624 VanDerWaalsContact O-CG 3.25Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 3.26Å; L620-I641 HydrophobicContact CB-CD1 4.5Å; L620-I641 HydrophobicContact CD2-CD1 3.96Å; L620-I641 HydrophobicContact CG-CD1 4.05Å; L620-I652 HydrophobicContact CD2-CG2 4.33Å; L620-L654 HydrophobicContact CD2-CD2 3.81Å; L620-V679 HydrophobicContact CD1-CG2 3.85Å; L620-V679 HydrophobicContact CD2-CG2 4.32Å; L620-L682 VanDerWaalsContact CA-CD2 3.4Å; L620-L682 HydrophobicContact CB-CD2 3.71Å; L620-L682 HydrophobicContact CD1-CD2 3.89Å; L620-L682 HydrophobicContact CG-CD2 4.41Å
621E82.3Confident78.9Confident57 Ų5772.4 Ų72.427%0.26637%0.374SS..Hα-helixtrans-58.3-53.4175.6-174.6-178.6176.600111.7Q617 M623 L624 Q625Q617-E621 PolarHBondContact O-N 3.16Å; E621-M623 VanDerWaalsContact C-N 3.31Å; E621-M623 PolarHBondContact O-N 3.35Å; E621-L624 PolarHBondContact O-N 2.96Å; E621-Q625 WeakPolarHBondContact O-CB 3.27Å; E621-Q625 WeakPolarHBondContact O-CG 3.32Å; E621-Q625 PolarHBondContact O-N 3.35Å; E621-Q625 PolarHBondContact OE1-NE2 2.78Å
622V84.1Confident79.9Confident64 Ų6472 Ų7239%0.38838%0.375SS..Hα-helixtrans-59.7-42179.3173.50000111.5T618 Q625 D626T618-V622 WeakPolarHBondContact O-CG2 3.34Å; T618-V622 PolarHBondContact O-N 2.81Å; V622-Q625 PolarHBondContact O-N 3.03Å; V622-D626 WeakPolarHBondContact O-CB 3.37Å; V622-D626 PolarHBondContact O-N 3.15Å
623M86.8Confident80.7Confident46 Ų4668.2 Ų68.223%0.22736%0.355CS..Hα-helixtrans-65.1-42.2179.7-174.3-173.871.200111.8R619 L620 E621 D626 M627 A678 L682R619-M623 VanDerWaalsContact O-CB 3.31Å; R619-M623 WeakPolarHBondContact O-CB 3.4Å; R619-M623 PolarHBondContact O-N 2.93Å; L620-M623 HydrophobicContact CD1-CE 3.79Å; L620-M623 PolarHBondContact O-N 2.79Å; E621-M623 VanDerWaalsContact C-N 3.31Å; E621-M623 PolarHBondContact O-N 3.35Å; M623-D626 PolarHBondContact O-N 3.05Å; M623-M627 HydrophobicContact CG-SD 4.06Å; M623-M627 WeakPolarHBondContact O-CB 3.39Å; M623-M627 WeakPolarHBondContact O-CG 3.39Å; M623-M627 PolarHBondContact O-N 3.15Å; M623-A678 HydrophobicContact CE-CB 3.74Å; M623-L682 HydrophobicContact CE-CB 4.12Å; M623-L682 HydrophobicContact CE-CD2 4.09Å; M623-L682 HydrophobicContact SD-CB 4.15Å; M623-L682 HydrophobicContact SD-CD1 4.45Å; M623-L682 HydrophobicContact SD-CD2 4.29Å
624L85.5Confident81.4Confident0 Ų068.5 Ų68.50%036%0.358CS..Hα-helixtrans-70.2-37.7179.3-68170.4000111.6L620 E621 M627 F628 V633 I641 V643 I652L620-L624 HydrophobicContact CD1-CD1 3.86Å; L620-L624 HydrophobicContact CD1-CG 4.08Å; L620-L624 HydrophobicContact CG-CD1 3.89Å; L620-L624 HydrophobicContact CG-CG 4.49Å; L620-L624 WeakPolarHBondContact O-CB 3.14Å; L620-L624 VanDerWaalsContact O-CG 3.25Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 3.26Å; E621-L624 PolarHBondContact O-N 2.96Å; L624-M627 PolarHBondContact O-N 3.49Å; L624-F628 HydrophobicContact CD2-CD2 4.17Å; L624-F628 HydrophobicContact CD2-CE2 3.81Å; L624-F628 WeakPolarHBondContact O-CD2 3.15Å; L624-F628 PolarHBondContact O-N 3.42Å; L624-V633 HydrophobicContact CB-CG1 4.44Å; L624-V633 HydrophobicContact CB-CG2 4.01Å; L624-I641 HydrophobicContact CD1-CG2 4.01Å; L624-V643 HydrophobicContact CD1-CG2 4.07Å; L624-V643 HydrophobicContact CD2-CG2 4.41Å; L624-I652 HydrophobicContact CD1-CD1 3.43Å; L624-I652 VanDerWaalsContact CD1-CD1 3.43Å
625Q84.7Confident81.7Confident48 Ų4866.3 Ų66.322%0.22434%0.344CS..Hα-helixtrans-62.9-42.3172.9-73.5171.7-13.800111.7E621 V622 M627 G629 E630 V633E621-Q625 WeakPolarHBondContact O-CB 3.27Å; E621-Q625 WeakPolarHBondContact O-CG 3.32Å; E621-Q625 PolarHBondContact O-N 3.35Å; E621-Q625 PolarHBondContact OE1-NE2 2.78Å; V622-Q625 PolarHBondContact O-N 3.03Å; Q625-M627 VanDerWaalsContact C-N 3.32Å; Q625-M627 PolarHBondContact O-N 3.06Å; Q625-G629 CarbonylContact O-C 3.58Å; Q625-G629 WeakPolarHBondContact O-CA 3.49Å; Q625-G629 PolarHBondContact O-N 3.04Å; Q625-E630 HydrophobicContact CB-CG 4.37Å; Q625-V633 HydrophobicContact CG-CB 4.12Å; Q625-V633 HydrophobicContact CG-CG2 4.23Å
626D84Confident80.9Confident139 Ų13967.2 Ų67.274%0.74335%0.353SS*.Hα-helixtrans-65-34.8174.7-88.3-7.1000112.3V622 M623V622-D626 WeakPolarHBondContact O-CB 3.37Å; V622-D626 PolarHBondContact O-N 3.15Å; M623-D626 PolarHBondContact O-N 3.05Å
627M81Confident80Confident88 Ų8873.4 Ų73.443%0.43339%0.386SS..Hα-helixtrans-78.2-39.5-177.6-76.1-179.966.500113.6M623 L624 Q625 A678M623-M627 HydrophobicContact CG-SD 4.06Å; M623-M627 WeakPolarHBondContact O-CB 3.39Å; M623-M627 WeakPolarHBondContact O-CG 3.39Å; M623-M627 PolarHBondContact O-N 3.15Å; L624-M627 PolarHBondContact O-N 3.49Å; Q625-M627 VanDerWaalsContact C-N 3.32Å; Q625-M627 PolarHBondContact O-N 3.06Å; M627-A678 HydrophobicContact CE-CB 4.16Å; M627-A678 HydrophobicContact SD-CB 4.09Å
628F84.1Confident79.3Confident38 Ų3873.1 Ų73.117%0.16740%0.395CS..Hα-helixtrans-119.1-11.7-169.5-58.3-70.5000114.2L624 C632 V643 V645 L671 M674 V675L624-F628 HydrophobicContact CD2-CD2 4.17Å; L624-F628 HydrophobicContact CD2-CE2 3.81Å; L624-F628 WeakPolarHBondContact O-CD2 3.15Å; L624-F628 PolarHBondContact O-N 3.42Å; F628-C632 HydrophobicContact CB-CB 4.08Å; F628-C632 WeakPolarHBondContact O-CB 3.37Å; F628-C632 PolarHBondContact O-SG 3.19Å; F628-C632 VanDerWaalsContact O-SG 3.39Å; F628-V643 HydrophobicContact CB-CG1 4.28Å; F628-V643 HydrophobicContact CD2-CG1 3.77Å; F628-V643 HydrophobicContact CE2-CG1 4.25Å; F628-V643 HydrophobicContact CG-CG1 3.98Å; F628-V645 HydrophobicContact CB-CG2 4.05Å; F628-V645 HydrophobicContact CD1-CG2 3.71Å; F628-V645 HydrophobicContact CE1-CG2 4.47Å; F628-V645 HydrophobicContact CG-CG2 4.08Å; F628-L671 HydrophobicContact CD1-CD1 4.48Å; F628-L671 HydrophobicContact CE1-CD1 3.84Å; F628-L671 HydrophobicContact CZ-CD1 4.24Å; F628-M674 HydrophobicContact CE1-SD 4.07Å; F628-M674 HydrophobicContact CZ-CG 4.5Å; F628-M674 HydrophobicContact CZ-SD 4.12Å; F628-V675 HydrophobicContact CE2-CG2 3.96Å; F628-V675 HydrophobicContact CZ-CG2 3.91Å
629G80.5Confident78.8Confident31 Ų3175 Ų7532%0.3240%0.396SS..  trans98.2148-175.100000112.8Q625 D631 C632Q625-G629 CarbonylContact O-C 3.58Å; Q625-G629 WeakPolarHBondContact O-CA 3.49Å; Q625-G629 PolarHBondContact O-N 3.04Å; G629-D631 VanDerWaalsContact C-N 3.27Å; G629-D631 PolarHBondContact O-N 2.87Å; G629-C632 WeakPolarHBondContact O-CB 3.45Å; G629-C632 PolarHBondContact O-N 2.92Å; G629-C632 VanDerWaalsContact O-N 3.12Å
630E79.3Confident78.8Confident152 Ų15269.5 Ų69.571%0.7138%0.38SS*.G310 helixtrans-59.4-36-178.2-70.9-178.517600112.7Q625 C632Q625-E630 HydrophobicContact CB-CG 4.37Å; E630-C632 PolarHBondContact O-N 2.97Å
631D79.1Confident78.8Confident173 Ų17369.5 Ų69.593%0.92538%0.38SS*.G310 helixtrans-73.4-10.1-179.4-62.6-37.4000113.6G629G629-D631 VanDerWaalsContact C-N 3.27Å; G629-D631 PolarHBondContact O-N 2.87Å
632C80.7Confident78.9Confident37 Ų3767.4 Ų67.425%0.2537%0.372CS..G310 helixtrans-99.1-8.9-176.3-73.50000113.5F628 G629 E630 V643 T644 V645F628-C632 HydrophobicContact CB-CB 4.08Å; F628-C632 WeakPolarHBondContact O-CB 3.37Å; F628-C632 PolarHBondContact O-SG 3.19Å; F628-C632 VanDerWaalsContact O-SG 3.39Å; G629-C632 WeakPolarHBondContact O-CB 3.45Å; G629-C632 PolarHBondContact O-N 2.92Å; G629-C632 VanDerWaalsContact O-N 3.12Å; E630-C632 PolarHBondContact O-N 2.97Å; C632-V643 CarbonylContact O-C 3.53Å; C632-V643 WeakPolarHBondContact O-CA 3.32Å; C632-T644 WeakPolarHBondContact CB-O 3.23Å; C632-T644 PolarHBondContact O-N 2.91Å; C632-T644 PolarHBondContact SG-O 2.79Å; C632-T644 VanDerWaalsContact SG-O 3.33Å; C632-V645 HydrophobicContact CB-CG2 4.45Å
633V83.6Confident79Confident17 Ų1764.4 Ų64.410%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-118.5116.3-176.4-174.80000109.4L624 Q625 I641 S642 V643L624-V633 HydrophobicContact CB-CG1 4.44Å; L624-V633 HydrophobicContact CB-CG2 4.01Å; Q625-V633 HydrophobicContact CG-CB 4.12Å; Q625-V633 HydrophobicContact CG-CG2 4.23Å; V633-I641 HydrophobicContact CG1-CG2 3.64Å; V633-S642 CarbonylContact C-O 3.54Å; V633-S642 WeakPolarHBondContact CA-O 3.41Å; V633-V643 HydrophobicContact CG2-CG2 4.3Å
634D80.7Confident78.8Confident87 Ų8764.8 Ų64.847%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-111.2136.4177-178.545.6000112S636 S642D634-S636 VanDerWaalsContact OD2-CB 3.26Å; D634-S636 WeakPolarHBondContact OD2-CB 3.47Å; D634-S636 PolarHBondContact OD2-OG 2.99Å; D634-S642 PolarHBondContact N-O 3.05Å; D634-S642 PolarHBondContact O-N 3.38Å; D634-S642 PolarHBondContact O-OG 2.85Å
635F76.6Confident78.6Confident66 Ų6666.5 Ų66.529%0.28937%0.368SS..  trans-118.770.7-177.6-164.1-96.3000110I641 L654F635-I641 HydrophobicContact CD2-CG1 3.9Å; F635-I641 HydrophobicContact CE2-CG1 3.92Å; F635-L654 HydrophobicContact CE2-CD1 4.23Å
636S60.3Low78.1Confident86 Ų8672.4 Ų72.460%0.60140%0.402SS*.  trans-86.9-20.2-169.320.10000114.8D634D634-S636 VanDerWaalsContact OD2-CB 3.26Å; D634-S636 WeakPolarHBondContact OD2-CB 3.47Å; D634-S636 PolarHBondContact OD2-OG 2.99Å
637D60.9Low77.5Confident134 Ų13469.4 Ų69.472%0.71740%0.403SS*.SBendtrans-140.515.8-166.2-138.415.9000117K639D637-K639 PolarHBondContact O-N 3.05Å
638G63.3Low77.3Confident38 Ų3867.3 Ų67.339%0.39239%0.392SS..SBendtrans72.5-19.7173.500000116.1
639K70.8Confident77.2Confident121 Ų12168 Ų6853%0.52640%0.4SS..SBendtrans-123.3-15.5-172.9-67.4-171.4170.3-146.70114.7D637 L654 E655D637-K639 PolarHBondContact O-N 3.05Å; K639-L654 WeakPolarHBondContact O-CB 3.45Å; K639-L654 PolarHBondContact O-N 3.37Å; K639-E655 IonicContact NZ-OE1 3.68Å; K639-E655 PolarHBondContact NZ-OE1 3Å
640V81.4Confident77.5Confident38 Ų3866.5 Ų66.523%0.2338%0.384CS..EExtended strand (participates in β ladder)trans-133.5134.1-177.4-178.50000108.5H651 I652V640-H651 HydrophobicContact CG1-CB 3.96Å; V640-I652 VanDerWaalsContact CA-O 3.3Å; V640-I652 WeakPolarHBondContact CA-O 3.33Å
641I84.8Confident77.7Confident0 Ų060.7 Ų60.70%036%0.357CS..EExtended strand (participates in β ladder)trans-102.8130.9170.1-54.8-175.9000107.2L620 L624 V633 F635 V643 I652 L654L620-I641 HydrophobicContact CB-CD1 4.5Å; L620-I641 HydrophobicContact CD2-CD1 3.96Å; L620-I641 HydrophobicContact CG-CD1 4.05Å; L624-I641 HydrophobicContact CD1-CG2 4.01Å; V633-I641 HydrophobicContact CG1-CG2 3.64Å; F635-I641 HydrophobicContact CD2-CG1 3.9Å; F635-I641 HydrophobicContact CE2-CG1 3.92Å; I641-V643 HydrophobicContact CG2-CG2 4.47Å; I641-I652 HydrophobicContact CB-CB 4.33Å; I641-I652 HydrophobicContact CB-CD1 4.35Å; I641-I652 HydrophobicContact CG2-CD1 4.47Å; I641-I652 PolarHBondContact N-O 2.87Å; I641-I652 PolarHBondContact O-N 3.5Å; I641-L654 HydrophobicContact CD1-CD2 3.94Å; I641-L654 HydrophobicContact CG1-CD1 4.34Å; I641-L654 HydrophobicContact CG1-CD2 4.2Å; I641-L654 HydrophobicContact CG1-CG 4.38Å
642S84.3Confident78Confident13 Ų1352.5 Ų52.59%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-110133.6173.8630000110.6V633 D634 V650V633-S642 CarbonylContact C-O 3.54Å; V633-S642 WeakPolarHBondContact CA-O 3.41Å; D634-S642 PolarHBondContact N-O 3.05Å; D634-S642 PolarHBondContact O-N 3.38Å; D634-S642 PolarHBondContact O-OG 2.85Å; S642-V650 CarbonylContact C-O 3.42Å; S642-V650 WeakPolarHBondContact CA-O 3.4Å
643V85.6Confident78Confident0 Ų051.6 Ų51.60%031%0.308CS..EExtended strand (participates in β ladder)trans-119.7120178.4-177.90000108L624 F628 C632 V633 I641 V645 T649 V650 I652L624-V643 HydrophobicContact CD1-CG2 4.07Å; L624-V643 HydrophobicContact CD2-CG2 4.41Å; F628-V643 HydrophobicContact CB-CG1 4.28Å; F628-V643 HydrophobicContact CD2-CG1 3.77Å; F628-V643 HydrophobicContact CE2-CG1 4.25Å; F628-V643 HydrophobicContact CG-CG1 3.98Å; C632-V643 CarbonylContact O-C 3.53Å; C632-V643 WeakPolarHBondContact O-CA 3.32Å; V633-V643 HydrophobicContact CG2-CG2 4.3Å; I641-V643 HydrophobicContact CG2-CG2 4.47Å; V643-V645 HydrophobicContact CG1-CG2 4.14Å; V643-T649 WeakPolarHBondContact O-CA 3.39Å; V643-V650 PolarHBondContact N-O 3Å; V643-V650 PolarHBondContact O-N 3.25Å; V643-I652 HydrophobicContact CG2-CD1 4.26Å
644T83.4Confident77.6Confident55 Ų5551.3 Ų51.334%0.33731%0.306SS..EExtended strand (participates in β ladder)trans-117.6116.5180-55.50000110.6C632 Q648 T649C632-T644 WeakPolarHBondContact CB-O 3.23Å; C632-T644 PolarHBondContact O-N 2.91Å; C632-T644 PolarHBondContact SG-O 2.79Å; C632-T644 VanDerWaalsContact SG-O 3.33Å; T644-Q648 WeakPolarHBondContact CA-O 3.48Å; T644-T649 WeakPolarHBondContact CG2-OG1 3.45Å; T644-T649 WeakPolarHBondContact OG1-CG2 3.36Å; T644-T649 PolarHBondContact OG1-OG1 3.15Å
645V80.6Confident77.2Confident35 Ų3553.5 Ų53.521%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-132.1130.9178.2-1770000108.3F628 C632 V643 G647 Q648 L671F628-V645 HydrophobicContact CB-CG2 4.05Å; F628-V645 HydrophobicContact CD1-CG2 3.71Å; F628-V645 HydrophobicContact CE1-CG2 4.47Å; F628-V645 HydrophobicContact CG-CG2 4.08Å; C632-V645 HydrophobicContact CB-CG2 4.45Å; V643-V645 HydrophobicContact CG1-CG2 4.14Å; V645-G647 PolarHBondContact O-N 3.08Å; V645-Q648 PolarHBondContact N-O 2.87Å; V645-Q648 PolarHBondContact O-N 3.41Å; V645-L671 HydrophobicContact CB-CD1 4.15Å; V645-L671 HydrophobicContact CB-CD2 4.01Å; V645-L671 HydrophobicContact CG2-CD1 4.12Å; V645-L671 HydrophobicContact CG2-CD2 4.47Å
646D74.3Confident77.2Confident173 Ų17354.5 Ų54.593%0.92533%0.325SS*.THydrogen-bonded Turntrans50.431.5178-65-30.3000115.4
647G72.3Confident78Confident75 Ų7555.2 Ų55.277%0.77331%0.314SS*.THydrogen-bonded Turntrans85.73.3178.400000115.3V645V645-G647 PolarHBondContact O-N 3.08Å
648Q77.8Confident78.8Confident44 Ų4451.3 Ų51.321%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-102.8127.2172.4-165.6177.728.800109.6T644 V645 S666 D668 L671T644-Q648 WeakPolarHBondContact CA-O 3.48Å; V645-Q648 PolarHBondContact N-O 2.87Å; V645-Q648 PolarHBondContact O-N 3.41Å; Q648-S666 PolarHBondContact NE2-OG 2.93Å; Q648-S666 VanDerWaalsContact NE2-OG 3.14Å; Q648-D668 PolarHBondContact NE2-O 3.45Å; Q648-L671 HydrophobicContact CB-CD2 4.05Å; Q648-L671 HydrophobicContact CG-CD2 4.28Å
649T81.7Confident79.8Confident52 Ų5249.9 Ų49.932%0.31928%0.281SS..EExtended strand (participates in β ladder)trans-111128.8-179-58.20000110.7V643 T644V643-T649 WeakPolarHBondContact O-CA 3.39Å; T644-T649 WeakPolarHBondContact CG2-OG1 3.45Å; T644-T649 WeakPolarHBondContact OG1-CG2 3.36Å; T644-T649 PolarHBondContact OG1-OG1 3.15Å
650V85.3Confident80.2Confident0 Ų048.6 Ų48.60%027%0.273CS..EExtended strand (participates in β ladder)trans-118.7133.5178.8-173.50000109.5S642 V643 V659 L671S642-V650 CarbonylContact C-O 3.42Å; S642-V650 WeakPolarHBondContact CA-O 3.4Å; V643-V650 PolarHBondContact N-O 3Å; V643-V650 PolarHBondContact O-N 3.25Å; V650-V659 HydrophobicContact CG1-CG1 3.12Å; V650-L671 HydrophobicContact CG2-CB 4.38Å; V650-L671 HydrophobicContact CG2-CD2 3.75Å; V650-L671 HydrophobicContact CG2-CG 3.8Å
651H84.1Confident80Confident31 Ų3148.6 Ų48.614%0.14428%0.275CS..EExtended strand (participates in β ladder)trans-107.7135178.9-61.8-81.5000111.2V640 V659 Y660V640-H651 HydrophobicContact CG1-CB 3.96Å; H651-V659 WeakPolarHBondContact O-CA 3.38Å; H651-Y660 HydrophobicContact CB-CD1 4.48Å; H651-Y660 HydrophobicContact CB-CD2 4.16Å; H651-Y660 HydrophobicContact CB-CE1 4.06Å; H651-Y660 HydrophobicContact CB-CE2 3.71Å; H651-Y660 PolarHBondContact N-O 3.2Å; H651-Y660 PolarHBondContact O-N 2.89Å
652I85.7Confident78.9Confident1 Ų155.8 Ų55.81%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-114.9115.4179.9-51167.2000108L620 L624 V640 I641 V643 L654 V659 V675 V679L620-I652 HydrophobicContact CD2-CG2 4.33Å; L624-I652 HydrophobicContact CD1-CD1 3.43Å; L624-I652 VanDerWaalsContact CD1-CD1 3.43Å; V640-I652 VanDerWaalsContact CA-O 3.3Å; V640-I652 WeakPolarHBondContact CA-O 3.33Å; I641-I652 HydrophobicContact CB-CB 4.33Å; I641-I652 HydrophobicContact CB-CD1 4.35Å; I641-I652 HydrophobicContact CG2-CD1 4.47Å; I641-I652 PolarHBondContact N-O 2.87Å; I641-I652 PolarHBondContact O-N 3.5Å; V643-I652 HydrophobicContact CG2-CD1 4.26Å; I652-L654 PolarHBondContact O-N 3.36Å; I652-V659 HydrophobicContact CG1-CG1 4.48Å; I652-V659 HydrophobicContact CG1-CG2 4.24Å; I652-V659 HydrophobicContact CG2-CG2 4.34Å; I652-V675 HydrophobicContact CD1-CG1 3.41Å; I652-V675 VanDerWaalsContact CD1-CG1 3.41Å; I652-V675 HydrophobicContact CG1-CG1 3.7Å; I652-V679 HydrophobicContact CD1-CG2 4.06Å; I652-V679 HydrophobicContact CG2-CG2 3.94Å
653S80.4Confident77.7Confident18 Ų1861.6 Ų61.613%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-79.9116.8173175.80000110.1E655 T656 R657 S658S653-E655 VanDerWaalsContact C-N 3.26Å; S653-E655 PolarHBondContact O-N 3.17Å; S653-T656 WeakPolarHBondContact CB-OG1 3.49Å; S653-T656 PolarHBondContact OG-N 2.91Å; S653-T656 PolarHBondContact OG-OG1 3.1Å; S653-R657 WeakPolarHBondContact O-CA 3.48Å; S653-R657 PolarHBondContact O-N 3.17Å; S653-S658 PolarHBondContact N-O 3.12Å
654L75.3Confident76.2Confident11 Ų1169.9 Ų69.96%0.05838%0.383CS..THydrogen-bonded Turntrans-69.1-25.3178.3-65.5173.3000112.8M613 Q617 L620 F635 K639 I641 I652M613-L654 VanDerWaalsContact CE-O 3.3Å; M613-L654 WeakPolarHBondContact CE-O 3.37Å; Q617-L654 HydrophobicContact CB-CD1 4.39Å; Q617-L654 HydrophobicContact CG-CD1 3.71Å; L620-L654 HydrophobicContact CD2-CD2 3.81Å; F635-L654 HydrophobicContact CE2-CD1 4.23Å; K639-L654 WeakPolarHBondContact O-CB 3.45Å; K639-L654 PolarHBondContact O-N 3.37Å; I641-L654 HydrophobicContact CD1-CD2 3.94Å; I641-L654 HydrophobicContact CG1-CD1 4.34Å; I641-L654 HydrophobicContact CG1-CD2 4.2Å; I641-L654 HydrophobicContact CG1-CG 4.38Å; I652-L654 PolarHBondContact O-N 3.36Å
655E72.6Confident74.7Confident133 Ų13373.7 Ų73.762%0.62141%0.406SS*.THydrogen-bonded Turntrans-77.5-41.9178.5-71-177.6-175.800112.5K639 S653K639-E655 IonicContact NZ-OE1 3.68Å; K639-E655 PolarHBondContact NZ-OE1 3Å; S653-E655 VanDerWaalsContact C-N 3.26Å; S653-E655 PolarHBondContact O-N 3.17Å
656T75.6Confident73.3Confident87 Ų8775.1 Ų75.153%0.53442%0.417SS..THydrogen-bonded Turntrans-102.9-13.4-174.860.20000113.6S653 S658S653-T656 WeakPolarHBondContact CB-OG1 3.49Å; S653-T656 PolarHBondContact OG-N 2.91Å; S653-T656 PolarHBondContact OG-OG1 3.1Å; T656-S658 PolarHBondContact O-N 3.12Å; T656-S658 PolarHBondContact OG1-OG 3.31Å
657R77.8Confident72.3Confident101 Ų10177.1 Ų77.138%0.38142%0.421SS..  trans60.911-172.2-55.5167.4-67.6167.91.7114S653 V679 Y683S653-R657 WeakPolarHBondContact O-CA 3.48Å; S653-R657 PolarHBondContact O-N 3.17Å; R657-V679 HydrophobicContact CB-CG1 4.49Å; R657-Y683 VanDerWaalsContact NH1-CE2 3.33Å; R657-Y683 PolarHBondContact NH1-OH 3.12Å
658S77.7Confident71.7Confident51 Ų5178.2 Ų78.236%0.35741%0.409SS..  trans-76.9143.6176.7640000110.6S653 T656S653-S658 PolarHBondContact N-O 3.12Å; T656-S658 PolarHBondContact O-N 3.12Å; T656-S658 PolarHBondContact OG1-OG 3.31Å
659V83.6Confident71.3Confident9 Ų979.2 Ų79.26%0.05542%0.416CS..EExtended strand (participates in β ladder)trans-112.6121.6176.3-175.80000107.5V650 H651 I652 R672 V675 E676 V679V650-V659 HydrophobicContact CG1-CG1 3.12Å; H651-V659 WeakPolarHBondContact O-CA 3.38Å; I652-V659 HydrophobicContact CG1-CG1 4.48Å; I652-V659 HydrophobicContact CG1-CG2 4.24Å; I652-V659 HydrophobicContact CG2-CG2 4.34Å; V659-R672 HydrophobicContact CG1-CG 4.04Å; V659-V675 HydrophobicContact CG1-CB 4.18Å; V659-V675 HydrophobicContact CG1-CG1 3.85Å; V659-V675 HydrophobicContact CG2-CG1 4.25Å; V659-E676 HydrophobicContact CB-CB 4.09Å; V659-E676 HydrophobicContact CB-CG 4.45Å; V659-E676 HydrophobicContact CG2-CB 4.01Å; V659-E676 HydrophobicContact CG2-CG 4.32Å; V659-V679 HydrophobicContact CG2-CG2 4.28Å
660Y79.2Confident71.1Confident93 Ų9379.5 Ų79.537%0.36542%0.42SS..EExtended strand (participates in β ladder)trans-140.7154.6-175.562.6-86.6000111.6H651H651-Y660 HydrophobicContact CB-CD1 4.48Å; H651-Y660 HydrophobicContact CB-CD2 4.16Å; H651-Y660 HydrophobicContact CB-CE1 4.06Å; H651-Y660 HydrophobicContact CB-CE2 3.71Å; H651-Y660 PolarHBondContact N-O 3.2Å; H651-Y660 PolarHBondContact O-N 2.89Å
661C78.6Confident70.8Confident38 Ų3880.1 Ų80.126%0.25742%0.423SS..EExtended strand (participates in β ladder)trans-110.3144.9175.2-58.70000109.1
662E62.3Low70.7Confident151 Ų15182 Ų8271%0.70643%0.429SS*.SBendtrans-78.4-21.1176.8-75.2-169.4157.300113.1
663D58.2Low70.5Confident136 Ų13687.8 Ų87.873%0.72746%0.456SS*.  trans-111107.8-177.3-71.5-39.4000112.3V665D663-V665 PolarHBondContact O-N 2.86Å
664D53.2Low70.6Confident174 Ų17491.6 Ų91.693%0.9347%0.473SS*.  trans-76.530.7-176.2-132.81.7000113.6
665V52.7Low71Confident135 Ų13591.1 Ų91.182%0.81847%0.47SS*.  trans-134.830-163-153.60000116D663D663-V665 PolarHBondContact O-N 2.86Å
666S51.9Low71.6Confident65 Ų6588.9 Ų88.946%0.45546%0.46SS..  trans-132.6125.6166.7620000112.4Q648 D668Q648-S666 PolarHBondContact NE2-OG 2.93Å; Q648-S666 VanDerWaalsContact NE2-OG 3.14Å; S666-D668 PolarHBondContact O-N 2.9Å
667E53.3Low72Confident214 Ų21489 Ų89100%146%0.457SS*.SBendtrans-63.41.6176.9-69.8-175.3153.600114.4
668D59.4Low72.2Confident99 Ų9984.7 Ų84.753%0.52944%0.443SS..  trans-111.288.5-179.3-151.8-18.3000110Q648 S666 S670Q648-D668 PolarHBondContact NE2-O 3.45Å; S666-D668 PolarHBondContact O-N 2.9Å; D668-S670 PolarHBondContact O-N 2.71Å; D668-S670 VanDerWaalsContact OD1-CB 3.26Å; D668-S670 WeakPolarHBondContact OD1-CB 3.4Å; D668-S670 PolarHBondContact OD1-OG 2.81Å
669D69.3Low72.6Confident64 Ų6482.5 Ų82.534%0.34243%0.427SS..  trans-85.58.5-180-124-13.6000112.3L671 R672 E673D669-L671 VanDerWaalsContact C-N 3.34Å; D669-L671 PolarHBondContact O-N 3.11Å; D669-R672 PolarHBondContact O-N 3.47Å; D669-R672 IonicContact OD1-CZ 3.84Å; D669-R672 IonicContact OD1-NE 3.34Å; D669-R672 PolarHBondContact OD1-NE 3.04Å; D669-R672 IonicContact OD1-NH2 3.82Å; D669-R672 IonicContact OD2-CZ 3.4Å; D669-R672 IonicContact OD2-NE 3.43Å; D669-R672 PolarHBondContact OD2-NE 2.66Å; D669-R672 IonicContact OD2-NH2 2.65Å; D669-R672 PolarHBondContact OD2-NH2 3.27Å; D669-E673 PolarHBondContact O-N 3.42Å
670S76.1Confident72.4Confident58 Ų5886.1 Ų86.141%0.40644%0.444SS..Hα-helixtrans-63.5-35-170.857.60000113.5D668 M674D668-S670 PolarHBondContact O-N 2.71Å; D668-S670 VanDerWaalsContact OD1-CB 3.26Å; D668-S670 WeakPolarHBondContact OD1-CB 3.4Å; D668-S670 PolarHBondContact OD1-OG 2.81Å; S670-M674 VanDerWaalsContact O-CB 3.23Å; S670-M674 WeakPolarHBondContact O-CB 3.34Å; S670-M674 PolarHBondContact O-N 3.28Å
671L80.7Confident72.5Confident14 Ų1489.6 Ų89.67%0.07346%0.456CS..Hα-helixtrans-68.5-42.3175.8-174.663.5000111.5F628 V645 Q648 V650 D669 M674 V675F628-L671 HydrophobicContact CD1-CD1 4.48Å; F628-L671 HydrophobicContact CE1-CD1 3.84Å; F628-L671 HydrophobicContact CZ-CD1 4.24Å; V645-L671 HydrophobicContact CB-CD1 4.15Å; V645-L671 HydrophobicContact CB-CD2 4.01Å; V645-L671 HydrophobicContact CG2-CD1 4.12Å; V645-L671 HydrophobicContact CG2-CD2 4.47Å; Q648-L671 HydrophobicContact CB-CD2 4.05Å; Q648-L671 HydrophobicContact CG-CD2 4.28Å; V650-L671 HydrophobicContact CG2-CB 4.38Å; V650-L671 HydrophobicContact CG2-CD2 3.75Å; V650-L671 HydrophobicContact CG2-CG 3.8Å; D669-L671 VanDerWaalsContact C-N 3.34Å; D669-L671 PolarHBondContact O-N 3.11Å; L671-M674 PolarHBondContact O-N 3.12Å; L671-V675 HydrophobicContact CD1-CG2 4.39Å; L671-V675 WeakPolarHBondContact O-CB 3.24Å; L671-V675 VanDerWaalsContact O-CG2 3.27Å; L671-V675 WeakPolarHBondContact O-CG2 3.38Å; L671-V675 PolarHBondContact O-N 2.97Å
672R82.3Confident72.7Confident69 Ų6989 Ų8926%0.2645%0.45SS..Hα-helixtrans-62.3-49.7177.1-175.5175.570.296.9-0.1111V659 D669 M674 V675 E676V659-R672 HydrophobicContact CG1-CG 4.04Å; D669-R672 PolarHBondContact O-N 3.47Å; D669-R672 IonicContact OD1-CZ 3.84Å; D669-R672 IonicContact OD1-NE 3.34Å; D669-R672 PolarHBondContact OD1-NE 3.04Å; D669-R672 IonicContact OD1-NH2 3.82Å; D669-R672 IonicContact OD2-CZ 3.4Å; D669-R672 IonicContact OD2-NE 3.43Å; D669-R672 PolarHBondContact OD2-NE 2.66Å; D669-R672 IonicContact OD2-NH2 2.65Å; D669-R672 PolarHBondContact OD2-NH2 3.27Å; R672-M674 VanDerWaalsContact C-N 3.31Å; R672-M674 PolarHBondContact O-N 3.33Å; R672-V675 PolarHBondContact O-N 3.29Å; R672-E676 IonicContact NH1-OE2 3.67Å; R672-E676 VanDerWaalsContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CB 3.47Å; R672-E676 PolarHBondContact O-N 3.03Å
673E81.3Confident73.6Confident123 Ų12383.4 Ų83.458%0.57542%0.423SS*.Hα-helixtrans-61.2-39.3177.8-71.8-173.1170.600112.2D669 L677D669-E673 PolarHBondContact O-N 3.42Å; E673-L677 VanDerWaalsContact O-CB 3.27Å; E673-L677 WeakPolarHBondContact O-CB 3.46Å; E673-L677 PolarHBondContact O-N 2.95Å
674M82Confident74.4Confident99 Ų9980.6 Ų80.649%0.48841%0.408SS..Hα-helixtrans-66.9-44.1179-169.6-177.8-53.900112F628 S670 L671 R672 A678F628-M674 HydrophobicContact CE1-SD 4.07Å; F628-M674 HydrophobicContact CZ-CG 4.5Å; F628-M674 HydrophobicContact CZ-SD 4.12Å; S670-M674 VanDerWaalsContact O-CB 3.23Å; S670-M674 WeakPolarHBondContact O-CB 3.34Å; S670-M674 PolarHBondContact O-N 3.28Å; L671-M674 PolarHBondContact O-N 3.12Å; R672-M674 VanDerWaalsContact C-N 3.31Å; R672-M674 PolarHBondContact O-N 3.33Å; M674-A678 WeakPolarHBondContact O-CB 3.43Å; M674-A678 PolarHBondContact O-N 2.96Å
675V83.9Confident75.4Confident0 Ų075.8 Ų75.80%039%0.393CS..Hα-helixtrans-67.5-43.2177172.60000110.7F628 I652 V659 L671 R672 L677 A678 V679F628-V675 HydrophobicContact CE2-CG2 3.96Å; F628-V675 HydrophobicContact CZ-CG2 3.91Å; I652-V675 HydrophobicContact CD1-CG1 3.41Å; I652-V675 VanDerWaalsContact CD1-CG1 3.41Å; I652-V675 HydrophobicContact CG1-CG1 3.7Å; V659-V675 HydrophobicContact CG1-CB 4.18Å; V659-V675 HydrophobicContact CG1-CG1 3.85Å; V659-V675 HydrophobicContact CG2-CG1 4.25Å; L671-V675 HydrophobicContact CD1-CG2 4.39Å; L671-V675 WeakPolarHBondContact O-CB 3.24Å; L671-V675 VanDerWaalsContact O-CG2 3.27Å; L671-V675 WeakPolarHBondContact O-CG2 3.38Å; L671-V675 PolarHBondContact O-N 2.97Å; R672-V675 PolarHBondContact O-N 3.29Å; V675-L677 PolarHBondContact O-N 2.83Å; V675-A678 PolarHBondContact O-N 3.35Å; V675-V679 HydrophobicContact CG1-CG2 4.32Å; V675-V679 VanDerWaalsContact O-CG2 3.25Å; V675-V679 WeakPolarHBondContact O-CG2 3.29Å; V675-V679 PolarHBondContact O-N 3.05Å
676E85.6Confident76.4Confident86 Ų8672.6 Ų72.640%0.40237%0.371SS..Hα-helixtrans-60.2-45176.8-171168.9-164.900111.8V659 R672 A678 V679 Q680V659-E676 HydrophobicContact CB-CB 4.09Å; V659-E676 HydrophobicContact CB-CG 4.45Å; V659-E676 HydrophobicContact CG2-CB 4.01Å; V659-E676 HydrophobicContact CG2-CG 4.32Å; R672-E676 IonicContact NH1-OE2 3.67Å; R672-E676 VanDerWaalsContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CB 3.47Å; R672-E676 PolarHBondContact O-N 3.03Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.86Å; E676-V679 PolarHBondContact O-N 3.31Å; E676-Q680 WeakPolarHBondContact O-CB 3.18Å; E676-Q680 PolarHBondContact O-N 3.36Å
677L82.4Confident77.2Confident91 Ų9171.2 Ų71.248%0.47636%0.358SS..Hα-helixtrans-64-37.7176.1-173.466.3000112.3E673 V675 R681E673-L677 VanDerWaalsContact O-CB 3.27Å; E673-L677 WeakPolarHBondContact O-CB 3.46Å; E673-L677 PolarHBondContact O-N 2.95Å; V675-L677 PolarHBondContact O-N 2.83Å; L677-R681 WeakPolarHBondContact O-CB 3.4Å; L677-R681 VanDerWaalsContact O-CG 3.25Å; L677-R681 WeakPolarHBondContact O-CG 3.37Å; L677-R681 PolarHBondContact O-N 3.43Å
678A83.1Confident77.3Confident10 Ų1066.9 Ų66.98%0.08335%0.348CS..Hα-helixtrans-68.4-45.3178.200000111.7M623 M627 M674 V675 E676 Q680 R681 L682M623-A678 HydrophobicContact CE-CB 3.74Å; M627-A678 HydrophobicContact CE-CB 4.16Å; M627-A678 HydrophobicContact SD-CB 4.09Å; M674-A678 WeakPolarHBondContact O-CB 3.43Å; M674-A678 PolarHBondContact O-N 2.96Å; V675-A678 PolarHBondContact O-N 3.35Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.86Å; A678-Q680 PolarHBondContact O-N 3.28Å; A678-R681 PolarHBondContact O-N 3.42Å; A678-L682 WeakPolarHBondContact O-CB 3.44Å; A678-L682 PolarHBondContact O-N 2.89Å
679V85.1Confident77.1Confident5 Ų565.5 Ų65.53%0.0335%0.351CS..Hα-helixtrans-58.4-47.3175.2172.40000110.5F616 L620 I652 R657 V659 V675 E676 L682 Y683F616-V679 HydrophobicContact CZ-CG1 4.28Å; L620-V679 HydrophobicContact CD1-CG2 3.85Å; L620-V679 HydrophobicContact CD2-CG2 4.32Å; I652-V679 HydrophobicContact CD1-CG2 4.06Å; I652-V679 HydrophobicContact CG2-CG2 3.94Å; R657-V679 HydrophobicContact CB-CG1 4.49Å; V659-V679 HydrophobicContact CG2-CG2 4.28Å; V675-V679 HydrophobicContact CG1-CG2 4.32Å; V675-V679 VanDerWaalsContact O-CG2 3.25Å; V675-V679 WeakPolarHBondContact O-CG2 3.29Å; V675-V679 PolarHBondContact O-N 3.05Å; E676-V679 PolarHBondContact O-N 3.31Å; V679-L682 PolarHBondContact O-N 2.73Å; V679-Y683 WeakPolarHBondContact O-CB 3.41Å; V679-Y683 PolarHBondContact O-N 3.39Å
680Q80.9Confident75.8Confident85 Ų8572.2 Ų72.240%0.39739%0.385SS..Hα-helixtrans-63.1-46.2179.6-174.460.138.400111.7E676 A678 L682 Y683 D684E676-Q680 WeakPolarHBondContact O-CB 3.18Å; E676-Q680 PolarHBondContact O-N 3.36Å; A678-Q680 PolarHBondContact O-N 3.28Å; Q680-L682 VanDerWaalsContact C-N 3.35Å; Q680-L682 PolarHBondContact O-N 3.29Å; Q680-Y683 WeakPolarHBondContact O-CB 3.45Å; Q680-Y683 PolarHBondContact O-N 3.24Å; Q680-D684 PolarHBondContact NE2-OD1 3.38Å; Q680-D684 PolarHBondContact NE2-OD2 2.95Å; Q680-D684 VanDerWaalsContact O-CG 3.24Å; Q680-D684 PolarHBondContact O-N 3.28Å
681R81.4Confident75.7Confident165 Ų16572.9 Ų72.962%0.62338%0.384SS*.Hα-helixtrans-62.5-39.8178.7-78.2176.7176-176.51.7113L677 A678 Y683 A685L677-R681 WeakPolarHBondContact O-CB 3.4Å; L677-R681 VanDerWaalsContact O-CG 3.25Å; L677-R681 WeakPolarHBondContact O-CG 3.37Å; L677-R681 PolarHBondContact O-N 3.43Å; A678-R681 PolarHBondContact O-N 3.42Å; R681-Y683 VanDerWaalsContact C-N 3.33Å; R681-A685 VanDerWaalsContact O-CB 3.27Å; R681-A685 WeakPolarHBondContact O-CB 3.49Å; R681-A685 PolarHBondContact O-N 3.45Å
682L82.8Confident75.5Confident25 Ų2576 Ų7613%0.13140%0.401CS..Hα-helixtrans-66.7-39.4176.9-177.664.1000111.1F616 R619 L620 M623 A678 V679 Q680 A685 L686F616-L682 HydrophobicContact CE2-CB 4.47Å; F616-L682 HydrophobicContact CE2-CD2 4.3Å; F616-L682 HydrophobicContact CE2-CG 4.19Å; R619-L682 HydrophobicContact CB-CD1 4.36Å; R619-L682 HydrophobicContact CB-CD2 4.21Å; L620-L682 VanDerWaalsContact CA-CD2 3.4Å; L620-L682 HydrophobicContact CB-CD2 3.71Å; L620-L682 HydrophobicContact CD1-CD2 3.89Å; L620-L682 HydrophobicContact CG-CD2 4.41Å; M623-L682 HydrophobicContact CE-CB 4.12Å; M623-L682 HydrophobicContact CE-CD2 4.09Å; M623-L682 HydrophobicContact SD-CB 4.15Å; M623-L682 HydrophobicContact SD-CD1 4.45Å; M623-L682 HydrophobicContact SD-CD2 4.29Å; A678-L682 WeakPolarHBondContact O-CB 3.44Å; A678-L682 PolarHBondContact O-N 2.89Å; V679-L682 PolarHBondContact O-N 2.73Å; Q680-L682 VanDerWaalsContact C-N 3.35Å; Q680-L682 PolarHBondContact O-N 3.29Å; L682-A685 PolarHBondContact O-N 2.81Å; L682-L686 HydrophobicContact CD1-CD1 3.96Å; L682-L686 HydrophobicContact CD1-CG 4.37Å; L682-L686 HydrophobicContact CG-CD1 3.96Å; L682-L686 WeakPolarHBondContact O-CB 3.46Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.21Å
683Y79.3Confident75.1Confident34 Ų3476.4 Ų76.413%0.13341%0.409CS..Hα-helixtrans-62.7-48.5175.6-174.6-89000111.4M611 F616 R657 V679 Q680 R681 A685 L686 N687M611-Y683 HydrophobicContact CE-CD2 3.72Å; M611-Y683 HydrophobicContact CE-CE2 3.37Å; M611-Y683 HydrophobicContact SD-CD2 3.79Å; M611-Y683 HydrophobicContact SD-CE2 3.53Å; M611-Y683 VanDerWaalsContact SD-CE2 3.53Å; F616-Y683 HydrophobicContact CD2-CD2 4.39Å; F616-Y683 HydrophobicContact CE2-CD2 4.03Å; F616-Y683 HydrophobicContact CE2-CG 4.44Å; F616-Y683 HydrophobicContact CZ-CD2 4.32Å; R657-Y683 VanDerWaalsContact NH1-CE2 3.33Å; R657-Y683 PolarHBondContact NH1-OH 3.12Å; V679-Y683 WeakPolarHBondContact O-CB 3.41Å; V679-Y683 PolarHBondContact O-N 3.39Å; Q680-Y683 WeakPolarHBondContact O-CB 3.45Å; Q680-Y683 PolarHBondContact O-N 3.24Å; R681-Y683 VanDerWaalsContact C-N 3.33Å; Y683-A685 VanDerWaalsContact C-N 3.31Å; Y683-A685 PolarHBondContact O-N 3.3Å; Y683-L686 PolarHBondContact O-N 2.8Å; Y683-N687 HydrophobicContact CE1-CB 4.4Å; Y683-N687 WeakPolarHBondContact O-CB 3.38Å; Y683-N687 PolarHBondContact O-N 3.33Å
684D76Confident74.8Confident77 Ų7773.6 Ų73.641%0.41240%0.399SS..Hα-helixtrans-63.8-36.5179-64-21.2000111.8Q680 N687Q680-D684 PolarHBondContact NE2-OD1 3.38Å; Q680-D684 PolarHBondContact NE2-OD2 2.95Å; Q680-D684 VanDerWaalsContact O-CG 3.24Å; Q680-D684 PolarHBondContact O-N 3.28Å; D684-N687 CarbonylContact O-C 3.56Å; D684-N687 VanDerWaalsContact O-C 3.27Å; D684-N687 PolarHBondContact O-N 3.1Å
685A75.1Confident74.3Confident74 Ų7472.1 Ų72.161%0.61239%0.393SS*.Hα-helixtrans-68.4-34.7176.300000113R681 L682 Y683R681-A685 VanDerWaalsContact O-CB 3.27Å; R681-A685 WeakPolarHBondContact O-CB 3.49Å; R681-A685 PolarHBondContact O-N 3.45Å; L682-A685 PolarHBondContact O-N 2.81Å; Y683-A685 VanDerWaalsContact C-N 3.31Å; Y683-A685 PolarHBondContact O-N 3.3Å
686L72.6Confident73.7Confident68 Ų6876.9 Ų76.936%0.35642%0.419SS..Hα-helixtrans-84.3-12.9177.5-70.6169.8000112.8F616 R619 L682 Y683F616-L686 HydrophobicContact CB-CD1 4.43Å; F616-L686 HydrophobicContact CD2-CD1 3.77Å; R619-L686 HydrophobicContact CB-CD1 4.49Å; L682-L686 HydrophobicContact CD1-CD1 3.96Å; L682-L686 HydrophobicContact CD1-CG 4.37Å; L682-L686 HydrophobicContact CG-CD1 3.96Å; L682-L686 WeakPolarHBondContact O-CB 3.46Å; L682-L686 WeakPolarHBondContact O-CG 3.48Å; L682-L686 PolarHBondContact O-N 3.21Å; Y683-L686 PolarHBondContact O-N 2.8Å
687N67.9Low72.8Confident35 Ų3576.2 Ų76.219%0.18742%0.421CS..  trans-134.771.7178-163.518.4000112.3Y683 D684 A689Y683-N687 HydrophobicContact CE1-CB 4.4Å; Y683-N687 WeakPolarHBondContact O-CB 3.38Å; Y683-N687 PolarHBondContact O-N 3.33Å; D684-N687 CarbonylContact O-C 3.56Å; D684-N687 VanDerWaalsContact O-C 3.27Å; D684-N687 PolarHBondContact O-N 3.1Å; N687-A689 PolarHBondContact O-N 3.41Å
688P57.3Low72.1Confident123 Ų12375.1 Ų75.180%0.79942%0.416SS*.  trans-75.137-173.230.4-35.9000114.9
689A55Low71.2Confident70 Ų7080.5 Ų80.558%0.57944%0.444SS*.  trans-150.358.2-177.700000113.4N687N687-A689 PolarHBondContact O-N 3.41Å
690L40.6Very low69.9Low205 Ų20587.4 Ų87.4100%1.07348%0.482SS*.  trans-126.90161.4-100.5160.7000110.4

Retrieved 690 of 690 residues in 845.5 ms (Link to these results)

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