G4VKS3_SCHMA Loading...

Putative trna-dihydrouridine synthase AlphaSync

AlphaFold DB , UniProt , Accession G4VKS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 511 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
1M39.7Very low56.6Low237 Ų237119.9 Ų119.9100%1.16764%0.643SS**  01110-67.7176.3-169.200106.9V3M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2T37.7Very low59.9Low141 Ų141110 Ų11087%0.86559%0.59SS**  trans-68.1108.5169.943.20000106.8D4T2-D4 PolarHBondContact O-N 2.78Å
3V41.5Very low62.7Low126 Ų126108.4 Ų108.476%0.76459%0.587SS**  trans-63.3108.4168.6179.40000105.3M1 Q5M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-Q5 PolarHBondContact O-N 3.35Å
4D42.1Very low65.1Low104 Ų104103.6 Ų103.656%0.55658%0.576SS**  trans-57.8104.9177.3-179.93.3000108.5T2 S6 R7T2-D4 PolarHBondContact O-N 2.78Å; D4-S6 PolarHBondContact O-N 2.88Å; D4-S6 VanDerWaalsContact O-N 3.09Å; D4-S6 WeakPolarHBondContact OD1-CB 3.21Å; D4-S6 PolarHBondContact OD1-N 3.41Å; D4-S6 PolarHBondContact OD1-OG 3.41Å; D4-S6 PolarHBondContact OD2-OG 3.49Å; D4-R7 PolarHBondContact O-N 3.39Å
5Q43.3Very low67.3Low194 Ų194100.7 Ų100.791%0.90756%0.555SS**THydrogen-bonded Turntrans-66.6-4.3179.6-68.9-164-0.900112.7V3 R7V3-Q5 PolarHBondContact O-N 3.35Å; Q5-R7 VanDerWaalsContact C-N 3.26Å
6S49.2Very low69.3Low89 Ų8995.4 Ų95.462%0.62253%0.526SS*.THydrogen-bonded Turntrans-78.5-7.8172.777.10000113.7D4 P8D4-S6 PolarHBondContact O-N 2.88Å; D4-S6 VanDerWaalsContact O-N 3.09Å; D4-S6 WeakPolarHBondContact OD1-CB 3.21Å; D4-S6 PolarHBondContact OD1-N 3.41Å; D4-S6 PolarHBondContact OD1-OG 3.41Å; D4-S6 PolarHBondContact OD2-OG 3.49Å; S6-P8 WeakPolarHBondContact O-CD 3.38Å
7R51.9Low71Confident140 Ų14089.9 Ų89.953%0.52850%0.495SS..SBendtrans-65.9119.9179.2-153.8178.4-164.2-170.33.6109.1D4 Q5 T9 R151D4-R7 PolarHBondContact O-N 3.39Å; Q5-R7 VanDerWaalsContact C-N 3.26Å; R7-T9 PolarHBondContact O-N 2.96Å; R7-T9 VanDerWaalsContact O-N 3.1Å; R7-R151 VanDerWaalsContact CZ-O 3.23Å; R7-R151 PolarHBondContact NE-O 2.9Å; R7-R151 PolarHBondContact NH2-O 2.99Å
8P57.4Low72.5Confident49 Ų4984.9 Ų84.932%0.31847%0.468SS..  trans-62.5122176.726.6-33.3000108.4S6 F10 M110S6-P8 WeakPolarHBondContact O-CD 3.38Å; P8-F10 PolarHBondContact O-N 3.39Å; P8-F10 VanDerWaalsContact O-N 3.11Å; P8-M110 HydrophobicContact CB-CE 3.76Å; P8-M110 HydrophobicContact CB-SD 3.53Å; P8-M110 VanDerWaalsContact CB-SD 3.53Å; P8-M110 HydrophobicContact CG-CE 4.03Å; P8-M110 HydrophobicContact CG-SD 3.67Å; P8-M110 WeakPolarHBondContact O-CE 3.18Å
9T74.3Confident73.9Confident128 Ų12880.5 Ų80.579%0.78544%0.444SS*.  trans-75.5103-179.148.60000108.4R7 D11R7-T9 PolarHBondContact O-N 2.96Å; R7-T9 VanDerWaalsContact O-N 3.1Å; T9-D11 PolarHBondContact O-N 3.43Å
10F91.3Very high75.2Confident37 Ų3777.6 Ų77.616%0.16243%0.429CS..  trans-67.8121.9168.1173.7-99.4000109P8 A12 F17 Y40 I87 M110 P153 T155 A180 A181P8-F10 PolarHBondContact O-N 3.39Å; P8-F10 VanDerWaalsContact O-N 3.11Å; F10-A12 HydrophobicContact CE1-CB 4.06Å; F10-A12 HydrophobicContact CZ-CB 4.06Å; F10-F17 AromaticContact CE2-CE1 3.95Å; F10-F17 HydrophobicContact CE2-CE1 3.95Å; F10-F17 AromaticContact CE2-CZ 3.99Å; F10-F17 HydrophobicContact CE2-CZ 3.99Å; F10-F17 HydrophobicContact CZ-CE1 4.36Å; F10-F17 HydrophobicContact CZ-CZ 4.14Å; F10-Y40 HydrophobicContact CD2-CE1 4.16Å; F10-I87 HydrophobicContact CE2-CD1 3.94Å; F10-M110 HydrophobicContact CB-CE 3.59Å; F10-M110 HydrophobicContact CD2-CE 4.46Å; F10-P153 HydrophobicContact CB-CB 4.19Å; F10-P153 HydrophobicContact CB-CG 3.86Å; F10-P153 HydrophobicContact CG-CB 4.4Å; F10-P153 HydrophobicContact CG-CG 4.3Å; F10-T155 HydrophobicContact CE1-CG2 4.3Å; F10-T155 HydrophobicContact CZ-CG2 4.01Å; F10-A180 HydrophobicContact CD1-CB 3.87Å; F10-A180 HydrophobicContact CE1-CB 4.03Å; F10-A181 HydrophobicContact CE1-CB 3.88Å; F10-A181 HydrophobicContact CZ-CB 4.01Å
11D94.5Very high76.2Confident74 Ų7475 Ų7540%0.39641%0.414SS..  trans-126.8131.3171.5178.316.8000107.6T9 T13 K15 Y40T9-D11 PolarHBondContact O-N 3.43Å; D11-T13 VanDerWaalsContact OD1-CB 3.27Å; D11-T13 WeakPolarHBondContact OD1-CB 3.41Å; D11-T13 PolarHBondContact OD1-N 3.47Å; D11-T13 PolarHBondContact OD1-OG1 3.18Å; D11-K15 WeakPolarHBondContact O-CG 3.33Å; D11-Y40 PolarHBondContact N-OH 3.29Å; D11-Y40 WeakPolarHBondContact O-CE2 3.39Å; D11-Y40 PolarHBondContact O-OH 3.02Å
12A95.6Very high78.8Confident1 Ų167.2 Ų67.21%0.00838%0.379CS..  trans-100.5-10.7179.600000112.5F10 G14 K15 P212 L214 A239F10-A12 HydrophobicContact CE1-CB 4.06Å; F10-A12 HydrophobicContact CZ-CB 4.06Å; A12-G14 PolarHBondContact O-N 3.47Å; A12-K15 WeakPolarHBondContact O-CB 3.46Å; A12-K15 PolarHBondContact O-N 2.98Å; A12-K15 VanDerWaalsContact O-N 3.17Å; A12-P212 HydrophobicContact CB-CB 3.65Å; A12-P212 HydrophobicContact CB-CG 4.14Å; A12-L214 HydrophobicContact CB-CD2 3.74Å; A12-A239 HydrophobicContact CB-CB 4.42Å; A12-A239 CarbonylContact O-C 3.52Å; A12-A239 VanDerWaalsContact O-O 3.05Å
13T96.6Very high81.5Confident89 Ų8967.8 Ų67.855%0.54637%0.366SS..THydrogen-bonded Turntrans-74.5118.8-166.3-46.70000111.4D11 K15 A239D11-T13 VanDerWaalsContact OD1-CB 3.27Å; D11-T13 WeakPolarHBondContact OD1-CB 3.41Å; D11-T13 PolarHBondContact OD1-N 3.47Å; D11-T13 PolarHBondContact OD1-OG1 3.18Å; T13-K15 WeakPolarHBondContact O-CG 3.36Å; T13-K15 PolarHBondContact O-N 2.87Å; T13-A239 CarbonylContact C-O 3.59Å; T13-A239 WeakPolarHBondContact CA-O 3.48Å
14G96.5Very high84.3Confident42 Ų4261.9 Ų61.943%0.43333%0.33SS..THydrogen-bonded Turntrans69.313.3-174.400000113.8A12 A239A12-G14 PolarHBondContact O-N 3.47Å; G14-A239 PolarHBondContact N-O 3.16Å
15K97.9Very high87Confident60 Ų6057 Ų5726%0.26130%0.304SS..  trans-95149.2-171-58.2-60.2-174.4179.10113.5D11 A12 T13 F17 D39 Y40 G240 V241D11-K15 WeakPolarHBondContact O-CG 3.33Å; A12-K15 WeakPolarHBondContact O-CB 3.46Å; A12-K15 PolarHBondContact O-N 2.98Å; A12-K15 VanDerWaalsContact O-N 3.17Å; T13-K15 WeakPolarHBondContact O-CG 3.36Å; T13-K15 PolarHBondContact O-N 2.87Å; K15-F17 HydrophobicContact CB-CE2 3.73Å; K15-F17 HydrophobicContact CB-CZ 4.34Å; K15-D39 WeakPolarHBondContact CA-OD2 3.17Å; K15-D39 HydrophobicContact CB-CB 4.1Å; K15-D39 HydrophobicContact CD-CB 3.83Å; K15-D39 WeakPolarHBondContact CD-OD1 3.37Å; K15-D39 HydrophobicContact CG-CB 4.44Å; K15-D39 IonicContact NZ-OD1 3.55Å; K15-D39 PolarHBondContact NZ-OD1 2.95Å; K15-Y40 HydrophobicContact CB-CD2 4.31Å; K15-Y40 HydrophobicContact CB-CE2 4.24Å; K15-Y40 HydrophobicContact CG-CE2 4.13Å; K15-G240 CarbonylContact O-C 3.53Å; K15-G240 WeakPolarHBondContact O-CA 3.33Å; K15-V241 PolarHBondContact O-N 2.96Å
16T98.6Very high89.6Confident16 Ų1648 Ų4810%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-112.6138.2178.765.90000111.4D39 Y40 I229 V241T16-D39 PolarHBondContact N-OD2 2.92Å; T16-D39 PolarHBondContact O-N 3.49Å; T16-D39 PolarHBondContact OG1-OD2 3.33Å; T16-Y40 PolarHBondContact O-N 3.07Å; T16-I229 HydrophobicContact CG2-CG2 3.72Å; T16-V241 WeakPolarHBondContact CA-O 3.36Å
17F98.8Very high92Very high1 Ų144.1 Ų44.10%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-126.3133.7-173.9-63.9-112000110.7F10 K15 A19 Y40 I42 I87 L214 V241 V242 I243F10-F17 AromaticContact CE2-CE1 3.95Å; F10-F17 HydrophobicContact CE2-CE1 3.95Å; F10-F17 AromaticContact CE2-CZ 3.99Å; F10-F17 HydrophobicContact CE2-CZ 3.99Å; F10-F17 HydrophobicContact CZ-CE1 4.36Å; F10-F17 HydrophobicContact CZ-CZ 4.14Å; K15-F17 HydrophobicContact CB-CE2 3.73Å; K15-F17 HydrophobicContact CB-CZ 4.34Å; F17-A19 PolarHBondContact O-N 2.94Å; F17-Y40 VanDerWaalsContact CA-O 3.27Å; F17-Y40 WeakPolarHBondContact CA-O 3.43Å; F17-Y40 HydrophobicContact CD1-CD2 4.15Å; F17-Y40 HydrophobicContact CD1-CG 4.03Å; F17-Y40 AromaticContact CE1-CD2 3.44Å; F17-Y40 HydrophobicContact CE1-CD2 3.44Å; F17-Y40 VanDerWaalsContact CE1-CD2 3.44Å; F17-Y40 HydrophobicContact CE1-CE2 4.37Å; F17-Y40 AromaticContact CE1-CG 3.53Å; F17-Y40 HydrophobicContact CE1-CG 3.53Å; F17-Y40 HydrophobicContact CE2-CD2 4Å; F17-Y40 AromaticContact CZ-CD2 3.34Å; F17-Y40 HydrophobicContact CZ-CD2 3.34Å; F17-Y40 AromaticContact CZ-CE2 4Å; F17-Y40 HydrophobicContact CZ-CE2 4Å; F17-Y40 AromaticContact CZ-CG 3.96Å; F17-Y40 HydrophobicContact CZ-CG 3.96Å; F17-I42 HydrophobicContact CD1-CD1 4.35Å; F17-I42 HydrophobicContact CD1-CG1 4.38Å; F17-I87 HydrophobicContact CD1-CD1 4.45Å; F17-I87 HydrophobicContact CE1-CD1 4Å; F17-L214 HydrophobicContact CD1-CD1 4.4Å; F17-L214 HydrophobicContact CD2-CD1 4.22Å; F17-L214 HydrophobicContact CE1-CD1 4.14Å; F17-L214 HydrophobicContact CE2-CD1 3.94Å; F17-L214 HydrophobicContact CE2-CD2 3.92Å; F17-L214 HydrophobicContact CG-CD1 4.48Å; F17-L214 HydrophobicContact CZ-CD1 3.92Å; F17-L214 HydrophobicContact CZ-CD2 4.37Å; F17-V241 PolarHBondContact N-O 2.83Å; F17-V242 HydrophobicContact CB-CB 4.25Å; F17-V242 HydrophobicContact CB-CG1 4.11Å; F17-V242 HydrophobicContact CB-CG2 4Å; F17-V242 HydrophobicContact CG-CG2 4.31Å; F17-V242 CarbonylContact O-C 3.52Å; F17-V242 WeakPolarHBondContact O-CA 3.42Å; F17-I243 PolarHBondContact O-N 3.28Å
18L98.9Very high94.2Very high0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-68.2126.7158.2176.865.4000109.3M21 M29 R30 C33 Y40 V41 I42 A247 F254L18-M21 HydrophobicContact CD1-CE 3.66Å; L18-M29 HydrophobicContact CD2-CG 4.16Å; L18-R30 HydrophobicContact CD2-CG 4Å; L18-C33 HydrophobicContact CB-CB 4.29Å; L18-C33 HydrophobicContact CD2-CB 4.18Å; L18-Y40 PolarHBondContact N-O 2.88Å; L18-V41 HydrophobicContact CB-CB 4.17Å; L18-V41 HydrophobicContact CB-CG1 3.77Å; L18-V41 HydrophobicContact CD2-CB 4.45Å; L18-V41 HydrophobicContact CD2-CG1 4.24Å; L18-I42 WeakPolarHBondContact O-CB 3.49Å; L18-I42 WeakPolarHBondContact O-CG1 3.46Å; L18-I42 PolarHBondContact O-N 2.96Å; L18-A247 HydrophobicContact CD1-CB 3.68Å; L18-F254 HydrophobicContact CB-CE2 4.4Å; L18-F254 HydrophobicContact CB-CZ 4.24Å; L18-F254 HydrophobicContact CD1-CE2 4.43Å
19A98.8Very high96.2Very high2 Ų235.1 Ų35.12%0.01719%0.194CC..PPolyproline II helixtrans-70.3155.5178.400000112.8F17 M21 S25 V242 I243 A244F17-A19 PolarHBondContact O-N 2.94Å; A19-M21 PolarHBondContact O-N 3.2Å; A19-S25 PolarHBondContact O-OG 3.38Å; A19-V242 VanDerWaalsContact CA-CG1 3.49Å; A19-V242 HydrophobicContact CB-CG1 3.62Å; A19-I243 VanDerWaalsContact CB-O 3.23Å; A19-I243 WeakPolarHBondContact CB-O 3.39Å; A19-I243 PolarHBondContact N-O 3.47Å; A19-A244 HydrophobicContact CB-CB 3.53Å
20P98.5Very high97.3Very high21 Ų2129.2 Ų29.214%0.13616%0.157CC..PPolyproline II helixtrans-69.7119.9170.528.7-34.1000110.8I42 S43 Q89 K157P20-I42 HydrophobicContact CB-CB 4.37Å; P20-I42 HydrophobicContact CB-CG2 3.83Å; P20-I42 HydrophobicContact CG-CG2 4.07Å; P20-S43 WeakPolarHBondContact CA-O 3.23Å; P20-S43 WeakPolarHBondContact CB-O 3.49Å; P20-Q89 HydrophobicContact CB-CB 4.15Å; P20-Q89 HydrophobicContact CB-CG 4.45Å; P20-K157 HydrophobicContact CG-CD 3.98Å
21M97.8Very high97.7Very high24 Ų2427.7 Ų27.712%0.11815%0.151CC..  trans-140.3112179.1-68.9178.9-72.500109.9L18 A19 R23 V24 S25 A244 M248L18-M21 HydrophobicContact CD1-CE 3.66Å; A19-M21 PolarHBondContact O-N 3.2Å; M21-R23 PolarHBondContact O-N 3Å; M21-V24 HydrophobicContact CB-CB 3.69Å; M21-V24 HydrophobicContact CB-CG1 4.38Å; M21-V24 HydrophobicContact CB-CG2 4.15Å; M21-V24 HydrophobicContact CE-CB 4.3Å; M21-V24 HydrophobicContact CE-CG1 3.72Å; M21-V24 PolarHBondContact O-N 3.34Å; M21-V24 HydrophobicContact SD-CG1 4.35Å; M21-S25 PolarHBondContact N-OG 3.47Å; M21-S25 PolarHBondContact O-N 3.21Å; M21-A244 WeakPolarHBondContact CE-O 3.22Å; M21-A244 HydrophobicContact CG-CB 4.26Å; M21-A244 VanDerWaalsContact SD-C 3.51Å; M21-A244 HydrophobicContact SD-CB 3.78Å; M21-M248 HydrophobicContact CE-CB 4.09Å; M21-M248 HydrophobicContact SD-CB 3.95Å; M21-M248 HydrophobicContact SD-SD 4.19Å
22V94.2Very high97.9Very high73 Ų7324.1 Ų24.144%0.44213%0.132SC..THydrogen-bonded Turntrans-52.5130.8175.9175.80000110.7V24 E45V22-V24 PolarHBondContact O-N 3.29Å; V22-E45 HydrophobicContact CG2-CB 4.19Å
23R94.7Very high98.1Very high154 Ų15424.1 Ų24.158%0.58113%0.132SC*.THydrogen-bonded Turntrans69.1-8.4-172.1-56.3173.9178-168-4.6117.1M21 E44 Y289M21-R23 PolarHBondContact O-N 3Å; R23-E44 PolarHBondContact N-OE2 3.11Å; R23-Y289 HydrophobicContact CB-CD1 3.9Å; R23-Y289 HydrophobicContact CB-CE1 4.02Å
24V98.6Very high98.2Very high2 Ų220.3 Ų20.31%0.01211%0.108CC..THydrogen-bonded Turntrans-108.1-54.6-177.9-179.30000110.5M21 V22 T26 M29 M248 Y289M21-V24 HydrophobicContact CB-CB 3.69Å; M21-V24 HydrophobicContact CB-CG1 4.38Å; M21-V24 HydrophobicContact CB-CG2 4.15Å; M21-V24 HydrophobicContact CE-CB 4.3Å; M21-V24 HydrophobicContact CE-CG1 3.72Å; M21-V24 PolarHBondContact O-N 3.34Å; M21-V24 HydrophobicContact SD-CG1 4.35Å; V22-V24 PolarHBondContact O-N 3.29Å; V24-T26 PolarHBondContact O-N 3.1Å; V24-T26 PolarHBondContact O-OG1 3.2Å; V24-M29 HydrophobicContact CG1-CE 4.14Å; V24-M29 HydrophobicContact CG1-CG 4.06Å; V24-M29 WeakPolarHBondContact O-CB 3.37Å; V24-M29 VanDerWaalsContact O-CG 3.24Å; V24-M29 WeakPolarHBondContact O-CG 3.25Å; V24-M248 HydrophobicContact CG1-CB 4.06Å; V24-M248 HydrophobicContact CG1-CG 3.89Å; V24-M248 HydrophobicContact CG2-CE 3.9Å; V24-M248 HydrophobicContact CG2-CG 3.93Å; V24-M248 HydrophobicContact CG2-SD 3.98Å; V24-Y289 HydrophobicContact CG2-CD1 4.26Å; V24-Y289 HydrophobicContact CG2-CE1 3.61Å
25S98.7Very high98.2Very high0 Ų022.7 Ų22.70%011%0.108CC..SBendtrans-78.641.9-174.8-47.50000112.5A19 M21 R30 I42 E44A19-S25 PolarHBondContact O-OG 3.38Å; M21-S25 PolarHBondContact N-OG 3.47Å; M21-S25 PolarHBondContact O-N 3.21Å; S25-R30 PolarHBondContact O-NH1 3.36Å; S25-I42 VanDerWaalsContact CB-O 3.3Å; S25-I42 WeakPolarHBondContact CB-O 3.46Å; S25-E44 PolarHBondContact O-N 3.5Å
26T98.6Very high98.2Very high6 Ų621.3 Ų21.34%0.03710%0.101CC..SBendtrans-77.1165.8170.661.40000109.9V24 M29 R30 E44 H282V24-T26 PolarHBondContact O-N 3.1Å; V24-T26 PolarHBondContact O-OG1 3.2Å; T26-M29 PolarHBondContact O-N 3.45Å; T26-R30 WeakPolarHBondContact O-CG 3.31Å; T26-R30 PolarHBondContact O-N 2.67Å; T26-E44 VanDerWaalsContact CG2-OE1 3.28Å; T26-E44 WeakPolarHBondContact CG2-OE1 3.46Å; T26-H282 VanDerWaalsContact CB-CE1 3.47Å; T26-H282 WeakPolarHBondContact CB-CE1 3.46Å; T26-H282 PolarHBondContact OG1-CE1 3.31Å; T26-H282 PolarHBondContact OG1-NE2 2.89Å
27H98.8Very high98.2Very high7 Ų722.5 Ų22.53%0.03212%0.117CC..Hα-helixtrans-49.2-49.7-172.5178.8-106.6000114.6M29 R30 L31 R77 S79 E82 Y280H27-M29 VanDerWaalsContact C-N 3.34Å; H27-M29 PolarHBondContact O-N 3.22Å; H27-R30 PolarHBondContact O-N 2.77Å; H27-L31 WeakPolarHBondContact CE1-CD1 3.48Å; H27-L31 WeakPolarHBondContact O-CG 3.46Å; H27-L31 PolarHBondContact O-N 3.02Å; H27-R77 HydrophobicContact CB-CB 4.28Å; H27-R77 HydrophobicContact CB-CG 4.15Å; H27-S79 WeakPolarHBondContact NE2-CB 3.38Å; H27-S79 PolarHBondContact NE2-OG 3.25Å; H27-E82 IonicContact CD2-OE1 3.48Å; H27-E82 PolarHBondContact CD2-OE1 2.81Å; H27-Y280 AromaticContact CE1-CD1 3.43Å; H27-Y280 VanDerWaalsContact CE1-CD1 3.43Å; H27-Y280 WeakPolarHBondContact CE1-CD1 3.5Å; H27-Y280 AromaticContact CE1-CD2 3.5Å; H27-Y280 VanDerWaalsContact CE1-CD2 3.5Å; H27-Y280 WeakPolarHBondContact CE1-CD2 3.41Å; H27-Y280 AromaticContact CE1-CE1 3.63Å; H27-Y280 AromaticContact CE1-CE2 3.73Å; H27-Y280 AromaticContact CE1-CG 3.34Å; H27-Y280 AromaticContact CE1-CZ 3.77Å; H27-Y280 AromaticContact ND1-CD1 3.95Å; H27-Y280 AromaticContact ND1-CD2 3.71Å; H27-Y280 AromaticContact ND1-CG 3.48Å
28P98.8Very high98.2Very high1 Ų122.5 Ų22.51%0.00612%0.117CC..Hα-helixtrans-61.7-38.1178.4-23.533.7000114L32 Y273 L276 H282P28-L32 VanDerWaalsContact O-CB 3.31Å; P28-L32 WeakPolarHBondContact O-CB 3.46Å; P28-L32 PolarHBondContact O-N 2.74Å; P28-Y273 HydrophobicContact CB-CD2 4.24Å; P28-Y273 HydrophobicContact CB-CE2 3.8Å; P28-L276 HydrophobicContact CB-CB 3.92Å; P28-H282 HydrophobicContact CG-CB 3.7Å
29M98.9Very high98.1Very high0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-70.1-39.2179.3179.661.668.900111.4L18 V24 T26 H27 L32 C33 P251 Y273 C290 M294L18-M29 HydrophobicContact CD2-CG 4.16Å; V24-M29 HydrophobicContact CG1-CE 4.14Å; V24-M29 HydrophobicContact CG1-CG 4.06Å; V24-M29 WeakPolarHBondContact O-CB 3.37Å; V24-M29 VanDerWaalsContact O-CG 3.24Å; V24-M29 WeakPolarHBondContact O-CG 3.25Å; T26-M29 PolarHBondContact O-N 3.45Å; H27-M29 VanDerWaalsContact C-N 3.34Å; H27-M29 PolarHBondContact O-N 3.22Å; M29-L32 PolarHBondContact O-N 2.7Å; M29-C33 PolarHBondContact O-N 3.16Å; M29-C33 PolarHBondContact O-SG 2.76Å; M29-P251 HydrophobicContact CE-CG 4.27Å; M29-P251 HydrophobicContact SD-CB 4.36Å; M29-P251 HydrophobicContact SD-CG 3.65Å; M29-Y273 HydrophobicContact CB-CE2 4.08Å; M29-Y273 HydrophobicContact CE-CD2 4.26Å; M29-Y273 HydrophobicContact CE-CE2 3.99Å; M29-C290 HydrophobicContact CE-CB 4Å; M29-M294 HydrophobicContact CE-CE 3.53Å; M29-M294 HydrophobicContact SD-CE 4.48Å
30R98.9Very high98.1Very high3 Ų325.6 Ų25.61%0.01113%0.132CC..Hα-helixtrans-61.5-49.7175.6-68.7-161.7-54-93.14.4110.7L18 S25 T26 H27 L32 C33 L34 V41 R77 E82L18-R30 HydrophobicContact CD2-CG 4Å; S25-R30 PolarHBondContact O-NH1 3.36Å; T26-R30 WeakPolarHBondContact O-CG 3.31Å; T26-R30 PolarHBondContact O-N 2.67Å; H27-R30 PolarHBondContact O-N 2.77Å; R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.41Å; R30-C33 PolarHBondContact O-N 3.46Å; R30-L34 WeakPolarHBondContact O-CG 3.45Å; R30-L34 PolarHBondContact O-N 3.03Å; R30-V41 HydrophobicContact CB-CB 3.95Å; R30-V41 HydrophobicContact CB-CG1 4.25Å; R30-V41 HydrophobicContact CB-CG2 3.84Å; R30-V41 HydrophobicContact CG-CB 3.98Å; R30-V41 HydrophobicContact CG-CG2 4.17Å; R30-R77 PolarHBondContact NH2-O 3.47Å; R30-E82 VanDerWaalsContact CB-OE2 3.26Å; R30-E82 WeakPolarHBondContact CB-OE2 3.31Å; R30-E82 IonicContact CZ-OE1 2.69Å; R30-E82 IonicContact CZ-OE2 2.75Å; R30-E82 IonicContact NE-OE1 2.76Å; R30-E82 PolarHBondContact NE-OE1 2.91Å; R30-E82 IonicContact NE-OE2 3.16Å; R30-E82 PolarHBondContact NE-OE2 2.94Å; R30-E82 IonicContact NH2-OE1 3.51Å; R30-E82 PolarHBondContact NH2-OE1 2.92Å; R30-E82 IonicContact NH2-OE2 3.38Å
31L98.9Very high98.2Very high5 Ų524.6 Ų24.63%0.02613%0.125CC..Hα-helixtrans-58.7-43.8175.5-67.6-171.9000112.2H27 C33 L34 E35 E81 E82 L276 Y280H27-L31 WeakPolarHBondContact CE1-CD1 3.48Å; H27-L31 WeakPolarHBondContact O-CG 3.46Å; H27-L31 PolarHBondContact O-N 3.02Å; L31-C33 VanDerWaalsContact C-N 3.35Å; L31-C33 PolarHBondContact O-N 2.94Å; L31-L34 HydrophobicContact CD2-CD1 4.4Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.89Å; L31-E35 WeakPolarHBondContact O-CG 3.29Å; L31-E35 PolarHBondContact O-N 3.2Å; L31-E81 HydrophobicContact CD2-CB 3.85Å; L31-E82 HydrophobicContact CD2-CB 3.9Å; L31-E82 HydrophobicContact CD2-CG 4.11Å; L31-L276 HydrophobicContact CB-CD1 4.08Å; L31-L276 HydrophobicContact CB-CD2 4.36Å; L31-L276 HydrophobicContact CD1-CD2 4.19Å; L31-Y280 HydrophobicContact CD1-CD2 3.86Å; L31-Y280 HydrophobicContact CD1-CE2 3.23Å
32L98.9Very high98.2Very high0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-60.9-43177.8-173.563.6000112.4P28 M29 R30 L34 E35 Y36 P251 I269 R272 Y273 L276 M294P28-L32 VanDerWaalsContact O-CB 3.31Å; P28-L32 WeakPolarHBondContact O-CB 3.46Å; P28-L32 PolarHBondContact O-N 2.74Å; M29-L32 PolarHBondContact O-N 2.7Å; R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.41Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-E35 PolarHBondContact O-N 3.07Å; L32-Y36 HydrophobicContact CD1-CD2 4.03Å; L32-Y36 HydrophobicContact CD1-CE2 3.43Å; L32-Y36 VanDerWaalsContact CD1-CE2 3.43Å; L32-Y36 HydrophobicContact CD2-CE2 4.43Å; L32-Y36 HydrophobicContact CG-CD2 3.97Å; L32-Y36 HydrophobicContact CG-CE2 3.72Å; L32-Y36 WeakPolarHBondContact O-CD2 3.23Å; L32-Y36 PolarHBondContact O-N 3.18Å; L32-P251 HydrophobicContact CD2-CB 3.78Å; L32-P251 HydrophobicContact CD2-CG 3.68Å; L32-P251 HydrophobicContact CG-CB 3.89Å; L32-P251 HydrophobicContact CG-CG 4.35Å; L32-I269 HydrophobicContact CD2-CG2 4.25Å; L32-R272 HydrophobicContact CD1-CB 3.96Å; L32-R272 HydrophobicContact CD1-CG 3.55Å; L32-Y273 HydrophobicContact CD2-CD2 3.92Å; L32-Y273 HydrophobicContact CD2-CG 4.25Å; L32-L276 HydrophobicContact CB-CD1 3.93Å; L32-L276 HydrophobicContact CD1-CD1 4.26Å; L32-M294 HydrophobicContact CD2-CE 4.21Å
33C98.9Very high98.4Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-66.1-37.6176.6-65.60000111.7L18 M29 R30 L31 Y36 G37 A38 V41 F254L18-C33 HydrophobicContact CB-CB 4.29Å; L18-C33 HydrophobicContact CD2-CB 4.18Å; M29-C33 PolarHBondContact O-N 3.16Å; M29-C33 PolarHBondContact O-SG 2.76Å; R30-C33 PolarHBondContact O-N 3.46Å; L31-C33 VanDerWaalsContact C-N 3.35Å; L31-C33 PolarHBondContact O-N 2.94Å; C33-Y36 CarbonylContact O-C 3.6Å; C33-Y36 PolarHBondContact O-N 3.16Å; C33-G37 PolarHBondContact O-N 3.09Å; C33-G37 VanDerWaalsContact O-N 3.15Å; C33-A38 HydrophobicContact CB-CB 4.08Å; C33-A38 VanDerWaalsContact O-CB 3.25Å; C33-A38 WeakPolarHBondContact O-CB 3.27Å; C33-A38 PolarHBondContact O-N 3.32Å; C33-V41 HydrophobicContact CB-CG1 4.28Å; C33-F254 HydrophobicContact CB-CD2 3.87Å; C33-F254 HydrophobicContact CB-CE2 3.79Å
34L98.8Very high98.6Very high10 Ų1014.6 Ų14.65%0.0528%0.08CC..Hα-helixtrans-65.1-39.8174-69.2176.3000112.2R30 L31 L32 Y36 G37 A38 V41 E82 R85R30-L34 WeakPolarHBondContact O-CG 3.45Å; R30-L34 PolarHBondContact O-N 3.03Å; L31-L34 HydrophobicContact CD2-CD1 4.4Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.89Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L34-Y36 PolarHBondContact O-N 3.26Å; L34-G37 PolarHBondContact O-N 3.28Å; L34-G37 VanDerWaalsContact O-N 3.08Å; L34-A38 HydrophobicContact CD2-CB 4.48Å; L34-A38 WeakPolarHBondContact CD2-O 3.49Å; L34-V41 HydrophobicContact CD1-CG1 4.45Å; L34-V41 HydrophobicContact CD1-CG2 3.94Å; L34-V41 HydrophobicContact CD2-CG1 3.68Å; L34-V41 HydrophobicContact CD2-CG2 4.16Å; L34-V41 HydrophobicContact CG-CG1 3.68Å; L34-V41 HydrophobicContact CG-CG2 4.07Å; L34-E82 HydrophobicContact CD1-CB 3.49Å; L34-E82 VanDerWaalsContact CD1-CB 3.49Å; L34-R85 HydrophobicContact CD1-CB 4.29Å; L34-R85 HydrophobicContact CD2-CB 3.94Å; L34-R85 HydrophobicContact CD2-CG 4.5Å
35E98.2Very high98.5Very high91 Ų9115.3 Ų15.343%0.4258%0.083SC..Hα-helixtrans-62.5-34.9174.7-75177.6-178.300111.6L31 L32 G37 R272L31-E35 WeakPolarHBondContact O-CG 3.29Å; L31-E35 PolarHBondContact O-N 3.2Å; L32-E35 PolarHBondContact O-N 3.07Å; E35-G37 VanDerWaalsContact C-N 3.29Å; E35-R272 IonicContact OE1-CZ 3.54Å; E35-R272 IonicContact OE1-NE 3.3Å; E35-R272 IonicContact OE1-NH2 3.48Å; E35-R272 PolarHBondContact OE1-NH2 2.91Å; E35-R272 IonicContact OE2-CZ 2.67Å; E35-R272 IonicContact OE2-NE 2.98Å; E35-R272 PolarHBondContact OE2-NE 3.35Å; E35-R272 IonicContact OE2-NH2 3.35Å; E35-R272 PolarHBondContact OE2-NH2 3.24Å
36Y97.9Very high98.5Very high31 Ų3115.8 Ų15.812%0.1229%0.086CC..THydrogen-bonded Turntrans-82.91173.8-70.7-51.6000114.7L32 C33 L34 P251 A252 F254 K255 P264 I269L32-Y36 HydrophobicContact CD1-CD2 4.03Å; L32-Y36 HydrophobicContact CD1-CE2 3.43Å; L32-Y36 VanDerWaalsContact CD1-CE2 3.43Å; L32-Y36 HydrophobicContact CD2-CE2 4.43Å; L32-Y36 HydrophobicContact CG-CD2 3.97Å; L32-Y36 HydrophobicContact CG-CE2 3.72Å; L32-Y36 WeakPolarHBondContact O-CD2 3.23Å; L32-Y36 PolarHBondContact O-N 3.18Å; C33-Y36 CarbonylContact O-C 3.6Å; C33-Y36 PolarHBondContact O-N 3.16Å; L34-Y36 PolarHBondContact O-N 3.26Å; Y36-P251 HydrophobicContact CD2-CB 3.91Å; Y36-P251 HydrophobicContact CE2-CB 4.19Å; Y36-A252 HydrophobicContact CD1-CB 4.07Å; Y36-A252 HydrophobicContact CD2-CB 4.14Å; Y36-A252 HydrophobicContact CE1-CB 4.17Å; Y36-A252 HydrophobicContact CE2-CB 4.19Å; Y36-A252 HydrophobicContact CG-CB 4.09Å; Y36-F254 CarbonylContact O-C 3.56Å; Y36-K255 HydrophobicContact CD1-CB 4.28Å; Y36-K255 HydrophobicContact CD1-CD 4.24Å; Y36-K255 WeakPolarHBondContact O-CA 3.1Å; Y36-K255 PolarHBondContact O-N 3.23Å; Y36-P264 HydrophobicContact CD1-CG 4.45Å; Y36-P264 HydrophobicContact CE1-CB 4.36Å; Y36-P264 HydrophobicContact CE1-CG 3.68Å; Y36-I269 HydrophobicContact CE2-CG1 4.22Å; Y36-I269 HydrophobicContact CE2-CG2 4.23Å; Y36-I269 WeakPolarHBondContact OH-CG1 3.45Å
37G97.3Very high98.4Very high42 Ų4217.7 Ų17.743%0.43310%0.095SC..THydrogen-bonded Turntrans105.810170.400000116C33 L34 E35 D39C33-G37 PolarHBondContact O-N 3.09Å; C33-G37 VanDerWaalsContact O-N 3.15Å; L34-G37 PolarHBondContact O-N 3.28Å; L34-G37 VanDerWaalsContact O-N 3.08Å; E35-G37 VanDerWaalsContact C-N 3.29Å; G37-D39 PolarHBondContact O-N 3.41Å
38A98.6Very high98.4Very high1 Ų117.5 Ų17.51%0.00810%0.095CC..  trans-57.9133165.800000109.4C33 L34 V41 F254C33-A38 HydrophobicContact CB-CB 4.08Å; C33-A38 VanDerWaalsContact O-CB 3.25Å; C33-A38 WeakPolarHBondContact O-CB 3.27Å; C33-A38 PolarHBondContact O-N 3.32Å; L34-A38 HydrophobicContact CD2-CB 4.48Å; L34-A38 WeakPolarHBondContact CD2-O 3.49Å; A38-V41 HydrophobicContact CB-CG1 4.34Å; A38-F254 HydrophobicContact CB-CB 4.34Å; A38-F254 HydrophobicContact CB-CD1 3.76Å; A38-F254 HydrophobicContact CB-CD2 3.94Å; A38-F254 HydrophobicContact CB-CE1 3.96Å; A38-F254 HydrophobicContact CB-CE2 4.13Å; A38-F254 HydrophobicContact CB-CG 3.76Å; A38-F254 HydrophobicContact CB-CZ 4.15Å
39D98.3Very high98.3Very high44 Ų4421.9 Ų21.924%0.23512%0.115CC..SBendtrans-74.2-39.5178.3-62.8-91.6000111.1K15 T16 G37 R85K15-D39 WeakPolarHBondContact CA-OD2 3.17Å; K15-D39 HydrophobicContact CB-CB 4.1Å; K15-D39 HydrophobicContact CD-CB 3.83Å; K15-D39 WeakPolarHBondContact CD-OD1 3.37Å; K15-D39 HydrophobicContact CG-CB 4.44Å; K15-D39 IonicContact NZ-OD1 3.55Å; K15-D39 PolarHBondContact NZ-OD1 2.95Å; T16-D39 PolarHBondContact N-OD2 2.92Å; T16-D39 PolarHBondContact O-N 3.49Å; T16-D39 PolarHBondContact OG1-OD2 3.33Å; G37-D39 PolarHBondContact O-N 3.41Å; D39-R85 VanDerWaalsContact O-CD 3.28Å; D39-R85 WeakPolarHBondContact O-CD 3.47Å; D39-R85 WeakPolarHBondContact O-CG 3.3Å
40Y98.8Very high98.2Very high22 Ų2226.8 Ų26.89%0.08613%0.133CC..EExtended strand (participates in β ladder)trans-136.7157.3180-62.9-80.5000111.2F10 D11 K15 T16 F17 L18 R85 M110F10-Y40 HydrophobicContact CD2-CE1 4.16Å; D11-Y40 PolarHBondContact N-OH 3.29Å; D11-Y40 WeakPolarHBondContact O-CE2 3.39Å; D11-Y40 PolarHBondContact O-OH 3.02Å; K15-Y40 HydrophobicContact CB-CD2 4.31Å; K15-Y40 HydrophobicContact CB-CE2 4.24Å; K15-Y40 HydrophobicContact CG-CE2 4.13Å; T16-Y40 PolarHBondContact O-N 3.07Å; F17-Y40 VanDerWaalsContact CA-O 3.27Å; F17-Y40 WeakPolarHBondContact CA-O 3.43Å; F17-Y40 HydrophobicContact CD1-CD2 4.15Å; F17-Y40 HydrophobicContact CD1-CG 4.03Å; F17-Y40 AromaticContact CE1-CD2 3.44Å; F17-Y40 HydrophobicContact CE1-CD2 3.44Å; F17-Y40 VanDerWaalsContact CE1-CD2 3.44Å; F17-Y40 HydrophobicContact CE1-CE2 4.37Å; F17-Y40 AromaticContact CE1-CG 3.53Å; F17-Y40 HydrophobicContact CE1-CG 3.53Å; F17-Y40 HydrophobicContact CE2-CD2 4Å; F17-Y40 AromaticContact CZ-CD2 3.34Å; F17-Y40 HydrophobicContact CZ-CD2 3.34Å; F17-Y40 AromaticContact CZ-CE2 4Å; F17-Y40 HydrophobicContact CZ-CE2 4Å; F17-Y40 AromaticContact CZ-CG 3.96Å; F17-Y40 HydrophobicContact CZ-CG 3.96Å; L18-Y40 PolarHBondContact N-O 2.88Å; Y40-R85 WeakPolarHBondContact CA-O 3.35Å; Y40-M110 HydrophobicContact CD1-CG 4.41Å; Y40-M110 HydrophobicContact CE1-CG 4.12Å
41V98.9Very high98.2Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-134.1124.6179.3-70.50000110.2L18 R30 C33 L34 A38 R85 V86 I87L18-V41 HydrophobicContact CB-CB 4.17Å; L18-V41 HydrophobicContact CB-CG1 3.77Å; L18-V41 HydrophobicContact CD2-CB 4.45Å; L18-V41 HydrophobicContact CD2-CG1 4.24Å; R30-V41 HydrophobicContact CB-CB 3.95Å; R30-V41 HydrophobicContact CB-CG1 4.25Å; R30-V41 HydrophobicContact CB-CG2 3.84Å; R30-V41 HydrophobicContact CG-CB 3.98Å; R30-V41 HydrophobicContact CG-CG2 4.17Å; C33-V41 HydrophobicContact CB-CG1 4.28Å; L34-V41 HydrophobicContact CD1-CG1 4.45Å; L34-V41 HydrophobicContact CD1-CG2 3.94Å; L34-V41 HydrophobicContact CD2-CG1 3.68Å; L34-V41 HydrophobicContact CD2-CG2 4.16Å; L34-V41 HydrophobicContact CG-CG1 3.68Å; L34-V41 HydrophobicContact CG-CG2 4.07Å; A38-V41 HydrophobicContact CB-CG1 4.34Å; V41-R85 PolarHBondContact N-O 3.48Å; V41-V86 HydrophobicContact CG2-CB 4.09Å; V41-V86 HydrophobicContact CG2-CG2 4.26Å; V41-V86 CarbonylContact O-C 3.54Å; V41-V86 WeakPolarHBondContact O-CA 3.38Å; V41-I87 PolarHBondContact O-N 3.47Å
42I98.9Very high98.2Very high2 Ų228 Ų281%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-95.3129178.1-50.2172.9000108.2F17 L18 P20 S25 I87 Q89 V242F17-I42 HydrophobicContact CD1-CD1 4.35Å; F17-I42 HydrophobicContact CD1-CG1 4.38Å; L18-I42 WeakPolarHBondContact O-CB 3.49Å; L18-I42 WeakPolarHBondContact O-CG1 3.46Å; L18-I42 PolarHBondContact O-N 2.96Å; P20-I42 HydrophobicContact CB-CB 4.37Å; P20-I42 HydrophobicContact CB-CG2 3.83Å; P20-I42 HydrophobicContact CG-CG2 4.07Å; S25-I42 VanDerWaalsContact CB-O 3.3Å; S25-I42 WeakPolarHBondContact CB-O 3.46Å; I42-I87 CarbonylContact C-O 3.56Å; I42-I87 VanDerWaalsContact CA-O 3.28Å; I42-I87 WeakPolarHBondContact CA-O 3.38Å; I42-I87 HydrophobicContact CG1-CB 4.39Å; I42-Q89 HydrophobicContact CG2-CB 3.78Å; I42-V242 HydrophobicContact CD1-CG1 4.11Å
43S98.8Very high98.2Very high0 Ų035.8 Ų35.80%017%0.169CC..PPolyproline II helixtrans-59165.4176.875.60000111.6P20 I87 V88 Q89P20-S43 WeakPolarHBondContact CA-O 3.23Å; P20-S43 WeakPolarHBondContact CB-O 3.49Å; S43-I87 PolarHBondContact N-O 3.28Å; S43-V88 WeakPolarHBondContact OG-CA 3.25Å; S43-Q89 PolarHBondContact OG-N 3.03Å
44E97.7Very high98.1Very high39 Ų3936.1 Ų36.118%0.18217%0.172CC..PPolyproline II helixtrans-55.3159.6159.461.6-168.2130.200112.1R23 S25 T26 L46R23-E44 PolarHBondContact N-OE2 3.11Å; S25-E44 PolarHBondContact O-N 3.5Å; T26-E44 VanDerWaalsContact CG2-OE1 3.28Å; T26-E44 WeakPolarHBondContact CG2-OE1 3.46Å; E44-L46 HydrophobicContact CG-CD2 3.82Å; E44-L46 WeakPolarHBondContact O-CG 3.32Å; E44-L46 PolarHBondContact O-N 3.18Å
45E97.5Very high98.1Very high18 Ų1839.5 Ų39.58%0.08420%0.196CC..PPolyproline II helixtrans-63.6116.2174.5178-176.8-14900109.7V22 I47 N115 Y122V22-E45 HydrophobicContact CG2-CB 4.19Å; E45-I47 HydrophobicContact CG-CD1 4.34Å; E45-N115 HydrophobicContact CG-CB 4.48Å; E45-N115 PolarHBondContact OE1-ND2 3.06Å; E45-N115 PolarHBondContact OE2-ND2 2.64Å; E45-Y122 PolarHBondContact OE2-OH 3.36Å
46L97.5Very high98.1Very high9 Ų940.5 Ų40.55%0.04720%0.196CC..EExtended strand (participates in β ladder)trans-103.4121.4176.1-55.4178.3000109.1E44 D48 I51 T75 F76 V88 Q89 L90 G91E44-L46 HydrophobicContact CG-CD2 3.82Å; E44-L46 WeakPolarHBondContact O-CG 3.32Å; E44-L46 PolarHBondContact O-N 3.18Å; L46-D48 PolarHBondContact O-N 2.74Å; L46-I51 HydrophobicContact CB-CD1 4.07Å; L46-I51 HydrophobicContact CB-CG1 4.09Å; L46-I51 HydrophobicContact CD1-CD1 3.73Å; L46-I51 HydrophobicContact CG-CD1 4.44Å; L46-T75 HydrophobicContact CD2-CG2 4.46Å; L46-T75 WeakPolarHBondContact CD2-O 3.33Å; L46-F76 HydrophobicContact CD1-CB 3.9Å; L46-F76 HydrophobicContact CD1-CD2 3.78Å; L46-F76 HydrophobicContact CD1-CG 3.99Å; L46-V88 HydrophobicContact CD1-CG1 3.57Å; L46-V88 HydrophobicContact CG-CG1 4.35Å; L46-Q89 PolarHBondContact N-O 3.39Å; L46-L90 CarbonylContact O-C 3.46Å; L46-L90 WeakPolarHBondContact O-CA 3.39Å; L46-G91 PolarHBondContact O-N 3.48Å
47I97.1Very high98.1Very high47 Ų4742 Ų4224%0.24121%0.208CC..EExtended strand (participates in β ladder)trans-68.3126.8174.9-53.1-46.6000108.3E45 Q49 R50 I51 G91 Y122 M128E45-I47 HydrophobicContact CG-CD1 4.34Å; I47-Q49 VanDerWaalsContact C-N 3.29Å; I47-Q49 HydrophobicContact CG2-CB 4.4Å; I47-Q49 PolarHBondContact O-N 3.02Å; I47-R50 HydrophobicContact CB-CB 4.41Å; I47-R50 WeakPolarHBondContact O-CA 3.24Å; I47-R50 VanDerWaalsContact O-CB 3.24Å; I47-R50 WeakPolarHBondContact O-CB 3.44Å; I47-R50 PolarHBondContact O-N 3.1Å; I47-I51 PolarHBondContact O-N 2.84Å; I47-G91 WeakPolarHBondContact CA-O 3.25Å; I47-Y122 HydrophobicContact CD1-CE2 4.13Å; I47-M128 HydrophobicContact CD1-CE 3.47Å; I47-M128 VanDerWaalsContact CD1-CE 3.47Å; I47-M128 HydrophobicContact CD1-SD 3.77Å; I47-M128 HydrophobicContact CG1-CE 4.22Å; I47-M128 HydrophobicContact CG2-CE 4.29Å; I47-M128 HydrophobicContact CG2-SD 4.34Å
48D98.4Very high98.1Very high3 Ų344.5 Ų44.52%0.01622%0.215CC..Hα-helixtrans-48.6-46.6-177.757.5-2.8000113.3L46 R50 I51 I52 G91 T92 P93 T97 A101L46-D48 PolarHBondContact O-N 2.74Å; D48-R50 PolarHBondContact O-N 3.37Å; D48-I51 WeakPolarHBondContact O-CA 3.45Å; D48-I51 WeakPolarHBondContact O-CB 3.33Å; D48-I51 PolarHBondContact O-N 2.82Å; D48-I52 WeakPolarHBondContact O-CG1 3.41Å; D48-I52 PolarHBondContact O-N 3.32Å; D48-G91 PolarHBondContact N-O 3.14Å; D48-T92 WeakPolarHBondContact OD2-CA 3.33Å; D48-T92 WeakPolarHBondContact OD2-CB 3.16Å; D48-T92 PolarHBondContact OD2-OG1 2.93Å; D48-P93 WeakPolarHBondContact OD2-CD 3.47Å; D48-T97 VanDerWaalsContact OD2-CB 3.23Å; D48-T97 WeakPolarHBondContact OD2-CB 3.49Å; D48-T97 PolarHBondContact OD2-OG1 2.88Å; D48-A101 HydrophobicContact CB-CB 3.78Å
49Q97.5Very high98Very high93 Ų9345.9 Ų45.944%0.43522%0.222SC..Hα-helixtrans-59.3-31176.8-70.3-66.2-17.200113.2I47 R53I47-Q49 VanDerWaalsContact C-N 3.29Å; I47-Q49 HydrophobicContact CG2-CB 4.4Å; I47-Q49 PolarHBondContact O-N 3.02Å; Q49-R53 WeakPolarHBondContact O-CB 3.47Å; Q49-R53 WeakPolarHBondContact O-CD 3.49Å; Q49-R53 VanDerWaalsContact O-CG 3.23Å; Q49-R53 WeakPolarHBondContact O-CG 3.29Å; Q49-R53 PolarHBondContact O-N 3.43Å; Q49-R53 VanDerWaalsContact O-N 3.16Å
50R96.9Very high97.8Very high102 Ų10244.8 Ų44.839%0.38522%0.219SC..Hα-helixtrans-71.8-37.3176.3-164.6-176.7166.399.42.6110.7I47 D48 S54 L69 S73 T75I47-R50 HydrophobicContact CB-CB 4.41Å; I47-R50 WeakPolarHBondContact O-CA 3.24Å; I47-R50 VanDerWaalsContact O-CB 3.24Å; I47-R50 WeakPolarHBondContact O-CB 3.44Å; I47-R50 PolarHBondContact O-N 3.1Å; D48-R50 PolarHBondContact O-N 3.37Å; R50-S54 PolarHBondContact O-N 2.88Å; R50-S54 PolarHBondContact O-OG 2.7Å; R50-L69 HydrophobicContact CG-CD1 3.98Å; R50-L69 HydrophobicContact CG-CD2 4.28Å; R50-L69 HydrophobicContact CG-CG 4.44Å; R50-L69 WeakPolarHBondContact O-CD2 3.25Å; R50-S73 PolarHBondContact NH2-OG 2.89Å; R50-S73 VanDerWaalsContact NH2-OG 3.16Å; R50-T75 HydrophobicContact CB-CG2 4.23Å; R50-T75 HydrophobicContact CG-CG2 3.72Å; R50-T75 PolarHBondContact NE-OG1 3.34Å; R50-T75 VanDerWaalsContact NE-OG1 3.11Å
51I98.6Very high97.5Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-67.4-48.3174-59.9-68.6000110.2L46 I47 D48 R53 S54 T75 F76 L90 A101 M104 L105L46-I51 HydrophobicContact CB-CD1 4.07Å; L46-I51 HydrophobicContact CB-CG1 4.09Å; L46-I51 HydrophobicContact CD1-CD1 3.73Å; L46-I51 HydrophobicContact CG-CD1 4.44Å; I47-I51 PolarHBondContact O-N 2.84Å; D48-I51 WeakPolarHBondContact O-CA 3.45Å; D48-I51 WeakPolarHBondContact O-CB 3.33Å; D48-I51 PolarHBondContact O-N 2.82Å; I51-R53 PolarHBondContact O-N 3.14Å; I51-S54 VanDerWaalsContact O-CB 3.31Å; I51-S54 WeakPolarHBondContact O-CB 3.22Å; I51-S54 PolarHBondContact O-N 3.26Å; I51-T75 HydrophobicContact CD1-CG2 3.46Å; I51-T75 VanDerWaalsContact CD1-CG2 3.46Å; I51-T75 HydrophobicContact CG1-CG2 4.3Å; I51-F76 HydrophobicContact CD1-CB 4.42Å; I51-L90 HydrophobicContact CG1-CD2 4.41Å; I51-A101 HydrophobicContact CB-CB 4.02Å; I51-A101 HydrophobicContact CG2-CB 4.07Å; I51-M104 HydrophobicContact CG2-CB 4.26Å; I51-M104 HydrophobicContact CG2-SD 4.23Å; I51-M104 VanDerWaalsContact O-CE 3.31Å; I51-M104 WeakPolarHBondContact O-CE 3.34Å; I51-L105 HydrophobicContact CD1-CD1 4.49Å; I51-L105 HydrophobicContact CD1-CD2 4.47Å; I51-L105 HydrophobicContact CG1-CD1 4.49Å; I51-L105 HydrophobicContact CG2-CD1 4.15Å; I51-L105 HydrophobicContact CG2-CG 4.15Å
52I98.7Very high97.4Very high34 Ų3446.1 Ų46.117%0.17423%0.226CC..Hα-helixtrans-56.3-37.3180-67.9163.6000112.2D48 S54 T97 Q100 A101D48-I52 WeakPolarHBondContact O-CG1 3.41Å; D48-I52 PolarHBondContact O-N 3.32Å; I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.26Å; I52-T97 HydrophobicContact CD1-CG2 4.09Å; I52-Q100 HydrophobicContact CD1-CB 4.06Å; I52-Q100 HydrophobicContact CD1-CG 4.25Å; I52-Q100 HydrophobicContact CG1-CB 4.14Å; I52-Q100 HydrophobicContact CG1-CG 3.95Å; I52-Q100 HydrophobicContact CG2-CG 4.48Å; I52-A101 HydrophobicContact CD1-CB 4.45Å; I52-A101 HydrophobicContact CG1-CB 4.1Å
53R98.3Very high97.3Very high164 Ų16451 Ų5162%0.61925%0.252SS*.THydrogen-bonded Turntrans-79.9-6.5178.2-71.8172.858.3-162.4-4.4114.2Q49 I51 L69 P70Q49-R53 WeakPolarHBondContact O-CB 3.47Å; Q49-R53 WeakPolarHBondContact O-CD 3.49Å; Q49-R53 VanDerWaalsContact O-CG 3.23Å; Q49-R53 WeakPolarHBondContact O-CG 3.29Å; Q49-R53 PolarHBondContact O-N 3.43Å; Q49-R53 VanDerWaalsContact O-N 3.16Å; I51-R53 PolarHBondContact O-N 3.14Å; R53-L69 HydrophobicContact CB-CD2 3.74Å; R53-P70 WeakPolarHBondContact O-CD 3.33Å
54S98.4Very high97.3Very high7 Ų751.1 Ų51.15%0.04925%0.253CS..SBendtrans-90.5155-178.6-60.40000111.1R50 I51 I52 V68 L69 T75 M104R50-S54 PolarHBondContact O-N 2.88Å; R50-S54 PolarHBondContact O-OG 2.7Å; I51-S54 VanDerWaalsContact O-CB 3.31Å; I51-S54 WeakPolarHBondContact O-CB 3.22Å; I51-S54 PolarHBondContact O-N 3.26Å; I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.26Å; S54-V68 CarbonylContact C-O 3.56Å; S54-V68 VanDerWaalsContact CA-O 3.23Å; S54-V68 WeakPolarHBondContact CA-O 3.4Å; S54-L69 WeakPolarHBondContact OG-CD2 3.33Å; S54-T75 PolarHBondContact OG-OG1 3.05Å; S54-M104 WeakPolarHBondContact O-CE 3.23Å
55S98.4Very high97.4Very high80 Ų8050.5 Ų50.556%0.55925%0.251SS*.EExtended strand (participates in β ladder)trans-100.7137.1168-66.50000109.7V57 F67 V68S55-V57 PolarHBondContact O-N 2.84Å; S55-F67 WeakPolarHBondContact O-CA 3.47Å; S55-V68 PolarHBondContact N-O 3.21Å; S55-V68 PolarHBondContact O-N 3.07Å
56R98.4Very high97.4Very high112 Ų11249.8 Ų49.842%0.42325%0.248SC..EExtended strand (participates in β ladder)trans-76.8118.9171.2-176.1-172.9177.8-77-0.9109.4I65 D66 F67 D108R56-I65 HydrophobicContact CG-CG2 3.73Å; R56-D66 CarbonylContact C-O 3.55Å; R56-D66 WeakPolarHBondContact CA-O 3.19Å; R56-F67 HydrophobicContact CB-CD1 4.33Å; R56-F67 HydrophobicContact CB-CE1 3.97Å; R56-F67 HydrophobicContact CB-CZ 4.39Å; R56-F67 HydrophobicContact CG-CE1 4.13Å; R56-F67 HydrophobicContact CG-CZ 4.03Å; R56-D108 IonicContact CZ-OD1 3.43Å; R56-D108 IonicContact CZ-OD2 3.54Å; R56-D108 IonicContact NE-OD1 3.97Å; R56-D108 IonicContact NE-OD2 3.52Å; R56-D108 PolarHBondContact NE-OD2 3.26Å; R56-D108 IonicContact NH2-OD1 2.72Å; R56-D108 PolarHBondContact NH2-OD1 2.87Å; R56-D108 IonicContact NH2-OD2 2.71Å; R56-D108 PolarHBondContact NH2-OD2 3.29Å
57V97.6Very high97.4Very high63 Ų6349.4 Ų49.438%0.38225%0.245SC..EExtended strand (participates in β ladder)trans-121.5130.7-176.5-179.90000109.2S55 N59 D66 V68S55-V57 PolarHBondContact O-N 2.84Å; V57-N59 PolarHBondContact O-N 3.03Å; V57-D66 PolarHBondContact N-O 2.93Å; V57-D66 PolarHBondContact O-N 3.41Å; V57-V68 HydrophobicContact CB-CG2 4.38Å; V57-V68 HydrophobicContact CG2-CB 4.5Å; V57-V68 HydrophobicContact CG2-CG2 4.14Å
58V97.3Very high97.3Very high95 Ų9548.5 Ų48.558%0.57624%0.242SC*.EExtended strand (participates in β ladder)trans-81.7111.1167.1-178.40000107.4A60 I65V58-A60 PolarHBondContact O-N 3.05Å; V58-I65 HydrophobicContact CB-CD1 4.24Å; V58-I65 HydrophobicContact CG1-CD1 4.26Å; V58-I65 HydrophobicContact CG2-CD1 3.76Å
59N95.6Very high96.9Very high29 Ų2948.8 Ų48.816%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-93.898.2-179.1-176.4-26.6000109.7V57 E61 L62 N63 T64 D66V57-N59 PolarHBondContact O-N 3.03Å; N59-E61 VanDerWaalsContact C-N 3.35Å; N59-E61 PolarHBondContact O-N 2.89Å; N59-E61 WeakPolarHBondContact OD1-CB 3.31Å; N59-E61 PolarHBondContact OD1-N 3.45Å; N59-L62 WeakPolarHBondContact ND2-CD1 3.37Å; N59-L62 PolarHBondContact O-N 3.17Å; N59-L62 PolarHBondContact OD1-N 2.79Å; N59-L62 VanDerWaalsContact OD1-N 3.11Å; N59-N63 VanDerWaalsContact O-CA 3.31Å; N59-N63 WeakPolarHBondContact O-CA 3.2Å; N59-N63 PolarHBondContact O-N 2.89Å; N59-T64 WeakPolarHBondContact CB-OG1 3.3Å; N59-T64 PolarHBondContact N-O 3.08Å; N59-T64 PolarHBondContact O-N 2.99Å; N59-T64 VanDerWaalsContact O-N 3.1Å; N59-D66 WeakPolarHBondContact CB-OD2 3.48Å; N59-D66 PolarHBondContact ND2-OD2 3.34Å
60A94.1Very high96.4Very high22 Ų2250 Ų5018%0.18226%0.259CS..THydrogen-bonded Turntrans-68.1-31.5-177.500000113.5V58 L62 H340V58-A60 PolarHBondContact O-N 3.05Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.16Å; A60-H340 HydrophobicContact CB-CB 3.63Å; A60-H340 WeakPolarHBondContact CB-ND1 3.43Å
61E93.5Very high96Very high47 Ų4751 Ų5122%0.2227%0.272CS..THydrogen-bonded Turntrans-62.7-38.9177.7-174.7-167.9157.300111.5N59 R333 R336 L337N59-E61 VanDerWaalsContact C-N 3.35Å; N59-E61 PolarHBondContact O-N 2.89Å; N59-E61 WeakPolarHBondContact OD1-CB 3.31Å; N59-E61 PolarHBondContact OD1-N 3.45Å; E61-R333 HydrophobicContact CG-CB 3.84Å; E61-R333 HydrophobicContact CG-CG 4.4Å; E61-R333 IonicContact OE1-CZ 3.33Å; E61-R333 IonicContact OE1-NE 3.6Å; E61-R333 PolarHBondContact OE1-NE 3.15Å; E61-R333 IonicContact OE1-NH2 3.67Å; E61-R333 PolarHBondContact OE1-NH2 2.98Å; E61-R336 PolarHBondContact O-NE 3.47Å; E61-R336 PolarHBondContact O-NH2 2.99Å; E61-L337 HydrophobicContact CB-CB 4.27Å; E61-L337 HydrophobicContact CB-CD1 4.41Å; E61-L337 HydrophobicContact CG-CB 4.28Å
62L96.6Very high95.3Very high3 Ų353.4 Ų53.42%0.01630%0.297CS..THydrogen-bonded Turntrans-103.5-6.4-176-52.9-177.2000113.2N59 A60 T64 R77 R279 D281 R333N59-L62 WeakPolarHBondContact ND2-CD1 3.37Å; N59-L62 PolarHBondContact O-N 3.17Å; N59-L62 PolarHBondContact OD1-N 2.79Å; N59-L62 VanDerWaalsContact OD1-N 3.11Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.16Å; L62-T64 VanDerWaalsContact C-N 3.3Å; L62-T64 HydrophobicContact CB-CG2 4.06Å; L62-T64 WeakPolarHBondContact CB-OG1 3.45Å; L62-T64 PolarHBondContact O-N 3.38Å; L62-R77 VanDerWaalsContact CD1-NH1 3.26Å; L62-R77 VanDerWaalsContact CD1-NH2 3.34Å; L62-R279 WeakPolarHBondContact CD2-O 3.48Å; L62-D281 HydrophobicContact CD1-CB 3.66Å; L62-D281 HydrophobicContact CD2-CB 3.96Å; L62-D281 HydrophobicContact CG-CB 4.46Å; L62-R333 HydrophobicContact CD2-CG 3.94Å
63N96.9Very high94.8Very high103 Ų10353.6 Ų53.655%0.55130%0.302SS*.THydrogen-bonded Turntrans51.848.1-170.7-164.635.4000112.4N59N59-N63 VanDerWaalsContact O-CA 3.31Å; N59-N63 WeakPolarHBondContact O-CA 3.2Å; N59-N63 PolarHBondContact O-N 2.89Å
64T98.6Very high94.4Very high3 Ų348.6 Ų48.62%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-127.7165.9-175.950.60000111.1N59 L62 D66 R77 T78 Y280N59-T64 WeakPolarHBondContact CB-OG1 3.3Å; N59-T64 PolarHBondContact N-O 3.08Å; N59-T64 PolarHBondContact O-N 2.99Å; N59-T64 VanDerWaalsContact O-N 3.1Å; L62-T64 VanDerWaalsContact C-N 3.3Å; L62-T64 HydrophobicContact CB-CG2 4.06Å; L62-T64 WeakPolarHBondContact CB-OG1 3.45Å; L62-T64 PolarHBondContact O-N 3.38Å; T64-D66 PolarHBondContact OG1-OD1 3.46Å; T64-R77 HydrophobicContact CG2-CG 3.87Å; T64-T78 CarbonylContact C-O 3.55Å; T64-T78 VanDerWaalsContact CA-O 3.3Å; T64-T78 WeakPolarHBondContact CA-O 3.34Å; T64-T78 WeakPolarHBondContact CB-O 3.47Å; T64-Y280 HydrophobicContact CG2-CD1 3.57Å; T64-Y280 HydrophobicContact CG2-CE1 3.89Å
65I98.8Very high94.3Very high26 Ų2648.7 Ų48.713%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-105.1124.1162-56.4-57.9000107.8R56 V58 F67 R77 T78R56-I65 HydrophobicContact CG-CG2 3.73Å; V58-I65 HydrophobicContact CB-CD1 4.24Å; V58-I65 HydrophobicContact CG1-CD1 4.26Å; V58-I65 HydrophobicContact CG2-CD1 3.76Å; I65-F67 HydrophobicContact CG2-CE2 3.94Å; I65-F67 HydrophobicContact CG2-CZ 4.47Å; I65-R77 WeakPolarHBondContact O-CA 3.42Å; I65-T78 HydrophobicContact CB-CG2 4.01Å; I65-T78 PolarHBondContact N-O 3.3Å; I65-T78 PolarHBondContact O-N 3.08Å
66D98.3Very high94.3Very high4 Ų445.2 Ų45.22%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-112.8140.4-179.6-67.2-19.5000110.5R56 V57 N59 T64 V68 F76 R77R56-D66 CarbonylContact C-O 3.55Å; R56-D66 WeakPolarHBondContact CA-O 3.19Å; V57-D66 PolarHBondContact N-O 2.93Å; V57-D66 PolarHBondContact O-N 3.41Å; N59-D66 WeakPolarHBondContact CB-OD2 3.48Å; N59-D66 PolarHBondContact ND2-OD2 3.34Å; T64-D66 PolarHBondContact OG1-OD1 3.46Å; D66-V68 HydrophobicContact CB-CG2 3.65Å; D66-F76 CarbonylContact C-O 3.5Å; D66-F76 WeakPolarHBondContact CA-O 3.36Å; D66-R77 WeakPolarHBondContact OD1-CB 3.4Å; D66-R77 VanDerWaalsContact OD1-CG 3.24Å; D66-R77 WeakPolarHBondContact OD1-CG 3.5Å; D66-R77 IonicContact OD1-CZ 3.39Å; D66-R77 IonicContact OD1-NE 3.45Å; D66-R77 PolarHBondContact OD1-NE 3.4Å; D66-R77 IonicContact OD1-NH2 3.59Å; D66-R77 IonicContact OD2-CZ 2.74Å; D66-R77 IonicContact OD2-NE 2.95Å; D66-R77 PolarHBondContact OD2-NE 2.89Å; D66-R77 IonicContact OD2-NH2 3.67Å; D66-R77 PolarHBondContact OD2-NH2 2.98Å
67F98.5Very high94.3Very high0 Ų041.1 Ų41.10%025%0.249CC..EExtended strand (participates in β ladder)trans-106.6105.8167.4-67.4-100.7000106.8S55 R56 I65 T75 F76 M104 L105S55-F67 WeakPolarHBondContact O-CA 3.47Å; R56-F67 HydrophobicContact CB-CD1 4.33Å; R56-F67 HydrophobicContact CB-CE1 3.97Å; R56-F67 HydrophobicContact CB-CZ 4.39Å; R56-F67 HydrophobicContact CG-CE1 4.13Å; R56-F67 HydrophobicContact CG-CZ 4.03Å; I65-F67 HydrophobicContact CG2-CE2 3.94Å; I65-F67 HydrophobicContact CG2-CZ 4.47Å; F67-T75 WeakPolarHBondContact O-CB 3.44Å; F67-T75 PolarHBondContact O-N 3.08Å; F67-F76 HydrophobicContact CB-CB 4.13Å; F67-F76 HydrophobicContact CD2-CB 4.02Å; F67-F76 AromaticContact CD2-CD1 3.66Å; F67-F76 HydrophobicContact CD2-CD1 3.66Å; F67-F76 HydrophobicContact CD2-CG 4.35Å; F67-F76 AromaticContact CE2-CD1 3.86Å; F67-F76 HydrophobicContact CE2-CD1 3.86Å; F67-F76 HydrophobicContact CE2-CE1 4.5Å; F67-F76 HydrophobicContact CG-CB 4.37Å; F67-F76 PolarHBondContact N-O 3.4Å; F67-F76 PolarHBondContact O-N 3.02Å; F67-M104 HydrophobicContact CD1-CE 4.46Å; F67-M104 HydrophobicContact CE1-CB 4.14Å; F67-M104 WeakPolarHBondContact CE1-O 3.48Å; F67-M104 WeakPolarHBondContact CZ-O 3.46Å; F67-L105 HydrophobicContact CD1-CD2 4.39Å; F67-L105 HydrophobicContact CD2-CD2 4.17Å; F67-L105 HydrophobicContact CE1-CD2 4.03Å; F67-L105 HydrophobicContact CE2-CD2 3.79Å; F67-L105 HydrophobicContact CG-CD2 4.46Å; F67-L105 HydrophobicContact CZ-CD2 3.72Å; F67-L105 HydrophobicContact CZ-CG 4.49Å
68V93.9Very high94.4Very high28 Ų2838.2 Ų38.217%0.1723%0.232CC..EExtended strand (participates in β ladder)trans-112.8129.9-167.7-169.30000110.1S54 S55 V57 D66 G72S54-V68 CarbonylContact C-O 3.56Å; S54-V68 VanDerWaalsContact CA-O 3.23Å; S54-V68 WeakPolarHBondContact CA-O 3.4Å; S55-V68 PolarHBondContact N-O 3.21Å; S55-V68 PolarHBondContact O-N 3.07Å; V57-V68 HydrophobicContact CB-CG2 4.38Å; V57-V68 HydrophobicContact CG2-CB 4.5Å; V57-V68 HydrophobicContact CG2-CG2 4.14Å; D66-V68 HydrophobicContact CB-CG2 3.65Å; V68-G72 WeakPolarHBondContact CG1-O 3.4Å
69L89.8Confident94.4Very high10 Ų1034 Ų345%0.05221%0.206CC..  trans-72.5163.5173.2-76.4178000111.5R50 R53 S54 D71 G72 S73 T75R50-L69 HydrophobicContact CG-CD1 3.98Å; R50-L69 HydrophobicContact CG-CD2 4.28Å; R50-L69 HydrophobicContact CG-CG 4.44Å; R50-L69 WeakPolarHBondContact O-CD2 3.25Å; R53-L69 HydrophobicContact CB-CD2 3.74Å; S54-L69 WeakPolarHBondContact OG-CD2 3.33Å; L69-D71 VanDerWaalsContact CB-OD1 3.28Å; L69-D71 WeakPolarHBondContact CB-OD1 3.3Å; L69-D71 PolarHBondContact O-N 2.99Å; L69-G72 PolarHBondContact O-N 3.46Å; L69-S73 PolarHBondContact N-O 3.34Å; L69-T75 WeakPolarHBondContact CG-OG1 3.38Å
70P88.3Confident94.5Very high117 Ų11738.7 Ų38.776%0.7623%0.229SC*.THydrogen-bonded Turntrans-57.7-22.3177.3-27.436.1000114.9R53 G72R53-P70 WeakPolarHBondContact O-CD 3.33Å; P70-G72 PolarHBondContact O-N 3.49Å
71D87.5Confident94.7Very high123 Ų12341 Ų4166%0.65824%0.236SC*.THydrogen-bonded Turntrans-82.93.4175.766.81.5000113.7L69 S73L69-D71 VanDerWaalsContact CB-OD1 3.28Å; L69-D71 WeakPolarHBondContact CB-OD1 3.3Å; L69-D71 PolarHBondContact O-N 2.99Å; D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 2.99Å; D71-S73 PolarHBondContact OD1-OG 3.47Å; D71-S73 PolarHBondContact OD2-OG 3.02Å
72G84.2Confident94.9Very high51 Ų5138.8 Ų38.853%0.52623%0.225SC..SBendtrans83.3-4.8-177.400000114.3V68 L69 P70V68-G72 WeakPolarHBondContact CG1-O 3.4Å; L69-G72 PolarHBondContact O-N 3.46Å; P70-G72 PolarHBondContact O-N 3.49Å
73S87.5Confident94.9Very high38 Ų3841.8 Ų41.827%0.26624%0.238SC..  trans-73.7134.4179.369.30000111.8R50 L69 D71 T75R50-S73 PolarHBondContact NH2-OG 2.89Å; R50-S73 VanDerWaalsContact NH2-OG 3.16Å; L69-S73 PolarHBondContact N-O 3.34Å; D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.08Å; D71-S73 VanDerWaalsContact OD1-CB 3.23Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 2.99Å; D71-S73 PolarHBondContact OD1-OG 3.47Å; D71-S73 PolarHBondContact OD2-OG 3.02Å; S73-T75 PolarHBondContact O-N 3.11Å
74V91.3Very high94.9Very high59 Ų5941.8 Ų41.836%0.35824%0.238SC..EExtended strand (participates in β ladder)trans-78.7119.7178.3-178.70000109.5F76 R77V74-F76 WeakPolarHBondContact CG1-O 3.22Å; V74-R77 HydrophobicContact CG1-CB 4.03Å
75T95.8Very high94.9Very high9 Ų946.2 Ų46.26%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-82.3-42.1172.7-63.10000111.5L46 R50 I51 S54 F67 L69 S73L46-T75 HydrophobicContact CD2-CG2 4.46Å; L46-T75 WeakPolarHBondContact CD2-O 3.33Å; R50-T75 HydrophobicContact CB-CG2 4.23Å; R50-T75 HydrophobicContact CG-CG2 3.72Å; R50-T75 PolarHBondContact NE-OG1 3.34Å; R50-T75 VanDerWaalsContact NE-OG1 3.11Å; I51-T75 HydrophobicContact CD1-CG2 3.46Å; I51-T75 VanDerWaalsContact CD1-CG2 3.46Å; I51-T75 HydrophobicContact CG1-CG2 4.3Å; S54-T75 PolarHBondContact OG-OG1 3.05Å; F67-T75 WeakPolarHBondContact O-CB 3.44Å; F67-T75 PolarHBondContact O-N 3.08Å; L69-T75 WeakPolarHBondContact CG-OG1 3.38Å; S73-T75 PolarHBondContact O-N 3.11Å
76F98.6Very high94.9Very high7 Ų745 Ų453%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-147.4139.4178.6-176.3-120.1000109.3L46 I51 D66 F67 V74 T78 V86 V88 L105 V109L46-F76 HydrophobicContact CD1-CB 3.9Å; L46-F76 HydrophobicContact CD1-CD2 3.78Å; L46-F76 HydrophobicContact CD1-CG 3.99Å; I51-F76 HydrophobicContact CD1-CB 4.42Å; D66-F76 CarbonylContact C-O 3.5Å; D66-F76 WeakPolarHBondContact CA-O 3.36Å; F67-F76 HydrophobicContact CB-CB 4.13Å; F67-F76 HydrophobicContact CD2-CB 4.02Å; F67-F76 AromaticContact CD2-CD1 3.66Å; F67-F76 HydrophobicContact CD2-CD1 3.66Å; F67-F76 HydrophobicContact CD2-CG 4.35Å; F67-F76 AromaticContact CE2-CD1 3.86Å; F67-F76 HydrophobicContact CE2-CD1 3.86Å; F67-F76 HydrophobicContact CE2-CE1 4.5Å; F67-F76 HydrophobicContact CG-CB 4.37Å; F67-F76 PolarHBondContact N-O 3.4Å; F67-F76 PolarHBondContact O-N 3.02Å; V74-F76 WeakPolarHBondContact CG1-O 3.22Å; F76-T78 HydrophobicContact CD1-CG2 4.49Å; F76-T78 HydrophobicContact CE1-CG2 3.75Å; F76-T78 HydrophobicContact CZ-CG2 4.36Å; F76-V86 HydrophobicContact CZ-CG2 4.17Å; F76-V88 HydrophobicContact CD1-CG2 4.33Å; F76-V88 HydrophobicContact CD2-CG2 4.2Å; F76-V88 HydrophobicContact CE1-CG2 3.75Å; F76-V88 HydrophobicContact CE2-CG2 3.59Å; F76-V88 HydrophobicContact CZ-CG2 3.34Å; F76-L105 HydrophobicContact CD1-CD2 3.76Å; F76-L105 HydrophobicContact CE1-CD2 4.18Å; F76-L105 HydrophobicContact CG-CD2 4.49Å; F76-V109 HydrophobicContact CE1-CG1 3.78Å; F76-V109 HydrophobicContact CZ-CG1 4.06Å
77R98.4Very high94.9Very high26 Ų2644.9 Ų44.910%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-128.6135.4171.5170.1167.8-70.8154.54.2107.7H27 R30 L62 T64 I65 D66 V74 Y280 D281H27-R77 HydrophobicContact CB-CB 4.28Å; H27-R77 HydrophobicContact CB-CG 4.15Å; R30-R77 PolarHBondContact NH2-O 3.47Å; L62-R77 VanDerWaalsContact CD1-NH1 3.26Å; L62-R77 VanDerWaalsContact CD1-NH2 3.34Å; T64-R77 HydrophobicContact CG2-CG 3.87Å; I65-R77 WeakPolarHBondContact O-CA 3.42Å; D66-R77 WeakPolarHBondContact OD1-CB 3.4Å; D66-R77 VanDerWaalsContact OD1-CG 3.24Å; D66-R77 WeakPolarHBondContact OD1-CG 3.5Å; D66-R77 IonicContact OD1-CZ 3.39Å; D66-R77 IonicContact OD1-NE 3.45Å; D66-R77 PolarHBondContact OD1-NE 3.4Å; D66-R77 IonicContact OD1-NH2 3.59Å; D66-R77 IonicContact OD2-CZ 2.74Å; D66-R77 IonicContact OD2-NE 2.95Å; D66-R77 PolarHBondContact OD2-NE 2.89Å; D66-R77 IonicContact OD2-NH2 3.67Å; D66-R77 PolarHBondContact OD2-NH2 2.98Å; V74-R77 HydrophobicContact CG1-CB 4.03Å; R77-Y280 PolarHBondContact NH1-O 3.22Å; R77-D281 PolarHBondContact NH1-O 3.11Å
78T98.8Very high94.9Very high3 Ų344.9 Ų44.92%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-138.7162.6173.3-176.80000110.2T64 I65 F76 E82 D108T64-T78 CarbonylContact C-O 3.55Å; T64-T78 VanDerWaalsContact CA-O 3.3Å; T64-T78 WeakPolarHBondContact CA-O 3.34Å; T64-T78 WeakPolarHBondContact CB-O 3.47Å; I65-T78 HydrophobicContact CB-CG2 4.01Å; I65-T78 PolarHBondContact N-O 3.3Å; I65-T78 PolarHBondContact O-N 3.08Å; F76-T78 HydrophobicContact CD1-CG2 4.49Å; F76-T78 HydrophobicContact CE1-CG2 3.75Å; F76-T78 HydrophobicContact CZ-CG2 4.36Å; T78-E82 WeakPolarHBondContact CA-OE1 3.37Å; T78-E82 WeakPolarHBondContact CB-OE1 3.49Å; T78-E82 PolarHBondContact OG1-OE1 3.44Å; T78-D108 HydrophobicContact CG2-CB 4Å
79S98.5Very high95.2Very high5 Ų543.8 Ų43.84%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-142.4168.8178.369.80000111.1H27 E81 E82 K83H27-S79 WeakPolarHBondContact NE2-CB 3.38Å; H27-S79 PolarHBondContact NE2-OG 3.25Å; S79-E81 WeakPolarHBondContact CB-OE2 3.49Å; S79-E81 PolarHBondContact O-N 2.79Å; S79-E81 VanDerWaalsContact O-N 3.17Å; S79-E81 PolarHBondContact OG-OE2 3.28Å; S79-E82 PolarHBondContact O-N 2.94Å; S79-E82 VanDerWaalsContact O-N 3.16Å; S79-K83 PolarHBondContact O-N 2.82Å
80M97.5Very high95.6Very high129 Ų12943.3 Ų43.364%0.63524%0.238SC*.THydrogen-bonded Turntrans-60-28.5-177.1-73-58.7-59.700113.2E82 K83M80-E82 PolarHBondContact O-N 3.31Å; M80-K83 HydrophobicContact CE-CD 4.13Å; M80-K83 PolarHBondContact O-N 3.04Å; M80-K83 HydrophobicContact SD-CD 3.79Å
81E97.7Very high96Very high71 Ų7137.8 Ų37.833%0.33220%0.202SC..THydrogen-bonded Turntrans-62.5-26.6179.3-61.890.3156.600113.6L31 S79 R85 R279 Y280L31-E81 HydrophobicContact CD2-CB 3.85Å; S79-E81 WeakPolarHBondContact CB-OE2 3.49Å; S79-E81 PolarHBondContact O-N 2.79Å; S79-E81 VanDerWaalsContact O-N 3.17Å; S79-E81 PolarHBondContact OG-OE2 3.28Å; E81-R85 PolarHBondContact O-NH2 2.65Å; E81-R279 IonicContact OE1-NH2 2.77Å; E81-Y280 VanDerWaalsContact CD-OH 3.27Å; E81-Y280 PolarHBondContact OE1-OH 3.2Å
82E98.2Very high96.6Very high0 Ų031.9 Ų31.90%017%0.171CC..THydrogen-bonded Turntrans-117.8-5.7178.566.3167.8-165.300114.3H27 R30 L31 L34 T78 S79 M80 N84 R85 V86H27-E82 IonicContact CD2-OE1 3.48Å; H27-E82 PolarHBondContact CD2-OE1 2.81Å; R30-E82 VanDerWaalsContact CB-OE2 3.26Å; R30-E82 WeakPolarHBondContact CB-OE2 3.31Å; R30-E82 IonicContact CZ-OE1 2.69Å; R30-E82 IonicContact CZ-OE2 2.75Å; R30-E82 IonicContact NE-OE1 2.76Å; R30-E82 PolarHBondContact NE-OE1 2.91Å; R30-E82 IonicContact NE-OE2 3.16Å; R30-E82 PolarHBondContact NE-OE2 2.94Å; R30-E82 IonicContact NH2-OE1 3.51Å; R30-E82 PolarHBondContact NH2-OE1 2.92Å; R30-E82 IonicContact NH2-OE2 3.38Å; L31-E82 HydrophobicContact CD2-CB 3.9Å; L31-E82 HydrophobicContact CD2-CG 4.11Å; L34-E82 HydrophobicContact CD1-CB 3.49Å; L34-E82 VanDerWaalsContact CD1-CB 3.49Å; T78-E82 WeakPolarHBondContact CA-OE1 3.37Å; T78-E82 WeakPolarHBondContact CB-OE1 3.49Å; T78-E82 PolarHBondContact OG1-OE1 3.44Å; S79-E82 PolarHBondContact O-N 2.94Å; S79-E82 VanDerWaalsContact O-N 3.16Å; M80-E82 PolarHBondContact O-N 3.31Å; E82-N84 PolarHBondContact O-N 3.14Å; E82-R85 CarbonylContact O-C 3.6Å; E82-R85 WeakPolarHBondContact O-CA 3.36Å; E82-R85 PolarHBondContact O-N 2.89Å; E82-V86 HydrophobicContact CB-CB 4.16Å; E82-V86 HydrophobicContact CB-CG1 4.5Å; E82-V86 HydrophobicContact CG-CB 4.04Å; E82-V86 HydrophobicContact CG-CG1 4.07Å; E82-V86 WeakPolarHBondContact O-CB 3.5Å; E82-V86 WeakPolarHBondContact O-CG1 3.35Å; E82-V86 PolarHBondContact O-N 3.31Å
83K96.2Very high97.2Very high65 Ų6531.4 Ų31.428%0.28316%0.159SC..THydrogen-bonded Turntrans-46.7-44.5-174.2178.6173.7178.5166.70113.9S79 M80 R85 N107 V109 M110S79-K83 PolarHBondContact O-N 2.82Å; M80-K83 HydrophobicContact CE-CD 4.13Å; M80-K83 PolarHBondContact O-N 3.04Å; M80-K83 HydrophobicContact SD-CD 3.79Å; K83-R85 VanDerWaalsContact C-N 3.33Å; K83-N107 WeakPolarHBondContact CE-O 3.23Å; K83-N107 PolarHBondContact NZ-O 3.11Å; K83-V109 CarbonylContact O-C 3.48Å; K83-M110 PolarHBondContact O-N 3.41Å; K83-M110 VanDerWaalsContact O-N 3.09Å
84N96.4Very high97.7Very high103 Ų10333.6 Ų33.655%0.55116%0.164SC*.THydrogen-bonded Turntrans-91.110.5-179-61.5-26.3000113.9E82 M110E82-N84 PolarHBondContact O-N 3.14Å; N84-M110 VanDerWaalsContact O-SD 3.34Å
85R98.3Very high98Very high96 Ų9631.8 Ų31.836%0.36215%0.154SC..THydrogen-bonded Turntrans-134.4-14.5-177.4-64.2-171.6-71.6-177.8-1.1113.8L34 D39 Y40 V41 E81 E82 K83L34-R85 HydrophobicContact CD1-CB 4.29Å; L34-R85 HydrophobicContact CD2-CB 3.94Å; L34-R85 HydrophobicContact CD2-CG 4.5Å; D39-R85 VanDerWaalsContact O-CD 3.28Å; D39-R85 WeakPolarHBondContact O-CD 3.47Å; D39-R85 WeakPolarHBondContact O-CG 3.3Å; Y40-R85 WeakPolarHBondContact CA-O 3.35Å; V41-R85 PolarHBondContact N-O 3.48Å; E81-R85 PolarHBondContact O-NH2 2.65Å; E82-R85 CarbonylContact O-C 3.6Å; E82-R85 WeakPolarHBondContact O-CA 3.36Å; E82-R85 PolarHBondContact O-N 2.89Å; K83-R85 VanDerWaalsContact C-N 3.33Å
86V98.8Very high98.2Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-88.7125.4-179.867.80000111.6V41 F76 E82 V109 M110V41-V86 HydrophobicContact CG2-CB 4.09Å; V41-V86 HydrophobicContact CG2-CG2 4.26Å; V41-V86 CarbonylContact O-C 3.54Å; V41-V86 WeakPolarHBondContact O-CA 3.38Å; F76-V86 HydrophobicContact CZ-CG2 4.17Å; E82-V86 HydrophobicContact CB-CB 4.16Å; E82-V86 HydrophobicContact CB-CG1 4.5Å; E82-V86 HydrophobicContact CG-CB 4.04Å; E82-V86 HydrophobicContact CG-CG1 4.07Å; E82-V86 WeakPolarHBondContact O-CB 3.5Å; E82-V86 WeakPolarHBondContact O-CG1 3.35Å; E82-V86 PolarHBondContact O-N 3.31Å; V86-V109 HydrophobicContact CG1-CB 4.11Å; V86-V109 HydrophobicContact CG1-CG1 4.14Å; V86-M110 VanDerWaalsContact O-CB 3.26Å; V86-M110 WeakPolarHBondContact O-CB 3.39Å; V86-M110 PolarHBondContact O-N 3.23Å
87I98.9Very high98.2Very high3 Ų333.6 Ų33.62%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-109127.4173-61.5170.4000107.3F10 F17 V41 I42 S43 M110 G111 D113F10-I87 HydrophobicContact CE2-CD1 3.94Å; F17-I87 HydrophobicContact CD1-CD1 4.45Å; F17-I87 HydrophobicContact CE1-CD1 4Å; V41-I87 PolarHBondContact O-N 3.47Å; I42-I87 CarbonylContact C-O 3.56Å; I42-I87 VanDerWaalsContact CA-O 3.28Å; I42-I87 WeakPolarHBondContact CA-O 3.38Å; I42-I87 HydrophobicContact CG1-CB 4.39Å; S43-I87 PolarHBondContact N-O 3.28Å; I87-M110 HydrophobicContact CG1-CB 4.5Å; I87-G111 WeakPolarHBondContact CA-O 3.38Å; I87-D113 HydrophobicContact CG2-CB 3.71Å
88V98.9Very high98.2Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-90.9121.6178.1168.40000110.6S43 L46 F76 L90 L105 V109 G111 I112 D113S43-V88 WeakPolarHBondContact OG-CA 3.25Å; L46-V88 HydrophobicContact CD1-CG1 3.57Å; L46-V88 HydrophobicContact CG-CG1 4.35Å; F76-V88 HydrophobicContact CD1-CG2 4.33Å; F76-V88 HydrophobicContact CD2-CG2 4.2Å; F76-V88 HydrophobicContact CE1-CG2 3.75Å; F76-V88 HydrophobicContact CE2-CG2 3.59Å; F76-V88 HydrophobicContact CZ-CG2 3.34Å; V88-L90 HydrophobicContact CG1-CD2 4.08Å; V88-L105 HydrophobicContact CB-CD1 4.15Å; V88-L105 HydrophobicContact CG1-CD1 3.6Å; V88-L105 HydrophobicContact CG2-CD2 4.47Å; V88-V109 HydrophobicContact CG2-CB 4.43Å; V88-V109 HydrophobicContact CG2-CG1 3.69Å; V88-G111 PolarHBondContact N-O 3.47Å; V88-I112 HydrophobicContact CB-CD1 4.34Å; V88-I112 WeakPolarHBondContact O-CA 3.46Å; V88-D113 PolarHBondContact O-N 3.44Å
89Q98.9Very high98.2Very high5 Ų534 Ų342%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-85.2121.6173.8-178.1171.382.100111.3P20 I42 S43 L46 D113 N115P20-Q89 HydrophobicContact CB-CB 4.15Å; P20-Q89 HydrophobicContact CB-CG 4.45Å; I42-Q89 HydrophobicContact CG2-CB 3.78Å; S43-Q89 PolarHBondContact OG-N 3.03Å; L46-Q89 PolarHBondContact N-O 3.39Å; Q89-D113 CarbonylContact C-O 3.6Å; Q89-D113 VanDerWaalsContact CA-O 3.31Å; Q89-D113 WeakPolarHBondContact CA-O 3.43Å; Q89-D113 HydrophobicContact CB-CB 4.15Å; Q89-D113 HydrophobicContact CG-CB 4.39Å; Q89-D113 WeakPolarHBondContact CG-OD2 3.45Å; Q89-D113 PolarHBondContact NE2-OD2 2.87Å; Q89-N115 HydrophobicContact CG-CB 3.78Å
90L98.8Very high98.2Very high0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-96133.9174.5-62-179000111.5L46 I51 V88 A101 A102 L105 I112 D113 N115L46-L90 CarbonylContact O-C 3.46Å; L46-L90 WeakPolarHBondContact O-CA 3.39Å; I51-L90 HydrophobicContact CG1-CD2 4.41Å; V88-L90 HydrophobicContact CG1-CD2 4.08Å; L90-A101 HydrophobicContact CD1-CB 4.26Å; L90-A101 HydrophobicContact CD2-CB 4.39Å; L90-A102 HydrophobicContact CD1-CB 4.15Å; L90-L105 HydrophobicContact CD2-CD1 4.06Å; L90-I112 HydrophobicContact CD1-CG2 3.74Å; L90-I112 HydrophobicContact CG-CG2 4.1Å; L90-D113 PolarHBondContact N-O 3.3Å; L90-N115 WeakPolarHBondContact O-CB 2.95Å; L90-N115 PolarHBondContact O-N 3.03Å
91G98.1Very high98.3Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-93.7112.615700000108.4L46 I47 D48L46-G91 PolarHBondContact O-N 3.48Å; I47-G91 WeakPolarHBondContact CA-O 3.25Å; D48-G91 PolarHBondContact N-O 3.14Å
92T98.5Very high98.3Very high0 Ų029.2 Ų29.20%015%0.153CC..  trans-143.4142.3-175-177.50000111D48 E94 A98 V114 M128 I142D48-T92 WeakPolarHBondContact OD2-CA 3.33Å; D48-T92 WeakPolarHBondContact OD2-CB 3.16Å; D48-T92 PolarHBondContact OD2-OG1 2.93Å; T92-E94 PolarHBondContact OG1-O 3.37Å; T92-A98 HydrophobicContact CG2-CB 3.73Å; T92-A98 WeakPolarHBondContact OG1-CB 3.35Å; T92-A98 PolarHBondContact OG1-N 2.87Å; T92-V114 HydrophobicContact CG2-CG1 4.14Å; T92-M128 VanDerWaalsContact C-CB 3.49Å; T92-M128 VanDerWaalsContact O-CB 3.23Å; T92-M128 WeakPolarHBondContact O-CB 3.31Å; T92-I142 HydrophobicContact CG2-CD1 4.48Å; T92-I142 HydrophobicContact CG2-CG2 4.09Å
93P96.9Very high98.4Very high41 Ų4132.9 Ų32.927%0.26617%0.169SC..SBendtrans-99.6-15.3178.536.9-33.3000114.3D48 G126 M128 I138D48-P93 WeakPolarHBondContact OD2-CD 3.47Å; P93-G126 VanDerWaalsContact CB-O 3.23Å; P93-G126 WeakPolarHBondContact CB-O 3.44Å; P93-M128 HydrophobicContact CB-CB 4.35Å; P93-I138 WeakPolarHBondContact O-CG2 3.25Å
94E98.1Very high98.5Very high83 Ų8332.3 Ų32.339%0.38817%0.168SC..SBendtrans-154.2155.1-169.567.7101172.500113T92 G96 T97 A98T92-E94 PolarHBondContact OG1-O 3.37Å; E94-G96 PolarHBondContact O-N 3.27Å; E94-G96 WeakPolarHBondContact OE2-CA 3.16Å; E94-G96 PolarHBondContact OE2-N 3.29Å; E94-T97 WeakPolarHBondContact OE1-CG2 3.37Å; E94-T97 PolarHBondContact OE1-N 2.92Å; E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.37Å
95P98.7Very high98.6Very high21 Ų2127.4 Ų27.414%0.13614%0.142CC..Hα-helixtrans-66.9-33.2-167.4-1830.3000114.6L99 E141 I142 T145P95-L99 WeakPolarHBondContact O-CB 3.49Å; P95-L99 PolarHBondContact O-N 3.39Å; P95-E141 HydrophobicContact CG-CB 3.59Å; P95-I142 HydrophobicContact CG-CG1 4.08Å; P95-T145 HydrophobicContact CB-CG2 4.06Å; P95-T145 WeakPolarHBondContact CB-OG1 3.4Å
96G98.7Very high98.6Very high42 Ų4223.2 Ų23.243%0.43313%0.127SC..Hα-helixtrans-66-54.4-175.100000111.8E94 A98 L99 Q100E94-G96 PolarHBondContact O-N 3.27Å; E94-G96 WeakPolarHBondContact OE2-CA 3.16Å; E94-G96 PolarHBondContact OE2-N 3.29Å; G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 2.99Å; G96-L99 PolarHBondContact O-N 2.84Å; G96-Q100 PolarHBondContact O-N 2.97Å
97T98.6Very high98.5Very high12 Ų1227.5 Ų27.57%0.07415%0.149CC..Hα-helixtrans-68.6-33.517857.20000112.2D48 I52 E94 L99 Q100 A101D48-T97 VanDerWaalsContact OD2-CB 3.23Å; D48-T97 WeakPolarHBondContact OD2-CB 3.49Å; D48-T97 PolarHBondContact OD2-OG1 2.88Å; I52-T97 HydrophobicContact CD1-CG2 4.09Å; E94-T97 WeakPolarHBondContact OE1-CG2 3.37Å; E94-T97 PolarHBondContact OE1-N 2.92Å; T97-L99 PolarHBondContact O-N 3.24Å; T97-Q100 PolarHBondContact O-N 3.12Å; T97-A101 WeakPolarHBondContact O-CB 3.42Å; T97-A101 PolarHBondContact O-N 3.24Å
98A98.9Very high98.5Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-55.3-51.6171.100000111.2T92 E94 G96 A102 I142 L146T92-A98 HydrophobicContact CG2-CB 3.73Å; T92-A98 WeakPolarHBondContact OG1-CB 3.35Å; T92-A98 PolarHBondContact OG1-N 2.87Å; E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.37Å; G96-A98 VanDerWaalsContact C-N 3.33Å; G96-A98 PolarHBondContact O-N 2.99Å; A98-A102 VanDerWaalsContact O-CB 3.26Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.33Å; A98-I142 HydrophobicContact CB-CG2 4.12Å; A98-L146 HydrophobicContact CB-CD1 4.33Å; A98-L146 HydrophobicContact CB-CD2 4.07Å; A98-L146 HydrophobicContact CB-CG 4.37Å
99L98.9Very high98.5Very high37 Ų3728 Ų2819%0.19415%0.152CC..Hα-helixtrans-66.5-42-178.5-178.758.8000112P95 G96 T97 A102 K103 T145 L146 N149 L150P95-L99 WeakPolarHBondContact O-CB 3.49Å; P95-L99 PolarHBondContact O-N 3.39Å; G96-L99 PolarHBondContact O-N 2.84Å; T97-L99 PolarHBondContact O-N 3.24Å; L99-A102 PolarHBondContact O-N 3.3Å; L99-K103 HydrophobicContact CD1-CG 4Å; L99-K103 HydrophobicContact CG-CG 4.37Å; L99-K103 WeakPolarHBondContact O-CB 3.5Å; L99-K103 WeakPolarHBondContact O-CG 3.28Å; L99-K103 PolarHBondContact O-N 3.26Å; L99-T145 HydrophobicContact CB-CG2 4.02Å; L99-T145 HydrophobicContact CD2-CG2 3.9Å; L99-T145 HydrophobicContact CG-CG2 4.45Å; L99-L146 HydrophobicContact CB-CD2 4.44Å; L99-L146 HydrophobicContact CD1-CD2 4.47Å; L99-N149 HydrophobicContact CD1-CB 3.55Å; L99-N149 HydrophobicContact CD2-CB 3.96Å; L99-N149 HydrophobicContact CG-CB 4.43Å; L99-L150 HydrophobicContact CD1-CD2 4.31Å; L99-L150 HydrophobicContact CD1-CG 4.46Å
100Q98.8Very high98.4Very high106 Ų10627.9 Ų27.950%0.49515%0.152SC..Hα-helixtrans-60.6-48.1178.8-169.8-178.24.100111.4I52 G96 T97 K103 M104I52-Q100 HydrophobicContact CD1-CB 4.06Å; I52-Q100 HydrophobicContact CD1-CG 4.25Å; I52-Q100 HydrophobicContact CG1-CB 4.14Å; I52-Q100 HydrophobicContact CG1-CG 3.95Å; I52-Q100 HydrophobicContact CG2-CG 4.48Å; G96-Q100 PolarHBondContact O-N 2.97Å; T97-Q100 PolarHBondContact O-N 3.12Å; Q100-K103 PolarHBondContact O-N 3.1Å; Q100-M104 PolarHBondContact O-N 2.77Å
101A98.9Very high98.4Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-63-45.4176.600000111.9D48 I51 I52 L90 T97 K103 M104 L105D48-A101 HydrophobicContact CB-CB 3.78Å; I51-A101 HydrophobicContact CB-CB 4.02Å; I51-A101 HydrophobicContact CG2-CB 4.07Å; I52-A101 HydrophobicContact CD1-CB 4.45Å; I52-A101 HydrophobicContact CG1-CB 4.1Å; L90-A101 HydrophobicContact CD1-CB 4.26Å; L90-A101 HydrophobicContact CD2-CB 4.39Å; T97-A101 WeakPolarHBondContact O-CB 3.42Å; T97-A101 PolarHBondContact O-N 3.24Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 2.98Å; A101-M104 WeakPolarHBondContact O-CB 3.29Å; A101-M104 PolarHBondContact O-N 2.88Å; A101-L105 PolarHBondContact O-N 2.77Å
102A98.9Very high98.4Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-63.1-38.2179.900000112.8L90 A98 L99 M104 L105 E106 I112 L146 L150L90-A102 HydrophobicContact CD1-CB 4.15Å; A98-A102 VanDerWaalsContact O-CB 3.26Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.33Å; L99-A102 PolarHBondContact O-N 3.3Å; A102-M104 VanDerWaalsContact C-N 3.29Å; A102-M104 PolarHBondContact O-N 3.39Å; A102-L105 PolarHBondContact O-N 3.24Å; A102-L105 VanDerWaalsContact O-N 3.12Å; A102-E106 PolarHBondContact O-N 2.93Å; A102-I112 HydrophobicContact CB-CD1 4.29Å; A102-I112 HydrophobicContact CB-CG1 4.03Å; A102-I112 HydrophobicContact CB-CG2 4.34Å; A102-L146 HydrophobicContact CB-CD2 3.77Å; A102-L150 HydrophobicContact CB-CD1 3.74Å; A102-L150 HydrophobicContact CB-CD2 3.92Å; A102-L150 HydrophobicContact CB-CG 4.4Å
103K98.8Very high98.4Very high77 Ų7728 Ų2834%0.33515%0.152SC..Hα-helixtrans-64.8-31.1177.1-81.4-71.3175.2-166.80113.5L99 Q100 A101 L105 E106 N149 L150L99-K103 HydrophobicContact CD1-CG 4Å; L99-K103 HydrophobicContact CG-CG 4.37Å; L99-K103 WeakPolarHBondContact O-CB 3.5Å; L99-K103 WeakPolarHBondContact O-CG 3.28Å; L99-K103 PolarHBondContact O-N 3.26Å; Q100-K103 PolarHBondContact O-N 3.1Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 2.98Å; K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 PolarHBondContact O-N 3.24Å; K103-E106 IonicContact NZ-OE1 3.85Å; K103-E106 PolarHBondContact NZ-OE1 3.45Å; K103-E106 IonicContact NZ-OE2 2.71Å; K103-E106 PolarHBondContact NZ-OE2 3.12Å; K103-N149 WeakPolarHBondContact CE-O 3.4Å; K103-N149 PolarHBondContact NZ-O 3.36Å; K103-L150 HydrophobicContact CD-CD2 4.15Å; K103-L150 HydrophobicContact CG-CD2 4.3Å
104M98.7Very high98.5Very high52 Ų5226 Ų2626%0.25614%0.14SC..Hα-helixtrans-67.3-31.6173.7-69.4178.170.300112.6I51 S54 F67 Q100 A101 A102I51-M104 HydrophobicContact CG2-CB 4.26Å; I51-M104 HydrophobicContact CG2-SD 4.23Å; I51-M104 VanDerWaalsContact O-CE 3.31Å; I51-M104 WeakPolarHBondContact O-CE 3.34Å; S54-M104 WeakPolarHBondContact O-CE 3.23Å; F67-M104 HydrophobicContact CD1-CE 4.46Å; F67-M104 HydrophobicContact CE1-CB 4.14Å; F67-M104 WeakPolarHBondContact CE1-O 3.48Å; F67-M104 WeakPolarHBondContact CZ-O 3.46Å; Q100-M104 PolarHBondContact O-N 2.77Å; A101-M104 WeakPolarHBondContact O-CB 3.29Å; A101-M104 PolarHBondContact O-N 2.88Å; A102-M104 VanDerWaalsContact C-N 3.29Å; A102-M104 PolarHBondContact O-N 3.39Å
105L98.7Very high98.6Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-90.9-23.4-176.4-65.8162.1000113.3I51 F67 F76 V88 L90 A101 A102 K103 N107 D108 V109 I112I51-L105 HydrophobicContact CD1-CD1 4.49Å; I51-L105 HydrophobicContact CD1-CD2 4.47Å; I51-L105 HydrophobicContact CG1-CD1 4.49Å; I51-L105 HydrophobicContact CG2-CD1 4.15Å; I51-L105 HydrophobicContact CG2-CG 4.15Å; F67-L105 HydrophobicContact CD1-CD2 4.39Å; F67-L105 HydrophobicContact CD2-CD2 4.17Å; F67-L105 HydrophobicContact CE1-CD2 4.03Å; F67-L105 HydrophobicContact CE2-CD2 3.79Å; F67-L105 HydrophobicContact CG-CD2 4.46Å; F67-L105 HydrophobicContact CZ-CD2 3.72Å; F67-L105 HydrophobicContact CZ-CG 4.49Å; F76-L105 HydrophobicContact CD1-CD2 3.76Å; F76-L105 HydrophobicContact CE1-CD2 4.18Å; F76-L105 HydrophobicContact CG-CD2 4.49Å; V88-L105 HydrophobicContact CB-CD1 4.15Å; V88-L105 HydrophobicContact CG1-CD1 3.6Å; V88-L105 HydrophobicContact CG2-CD2 4.47Å; L90-L105 HydrophobicContact CD2-CD1 4.06Å; A101-L105 PolarHBondContact O-N 2.77Å; A102-L105 PolarHBondContact O-N 3.24Å; A102-L105 VanDerWaalsContact O-N 3.12Å; K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 PolarHBondContact O-N 3.24Å; L105-N107 PolarHBondContact O-N 2.77Å; L105-D108 PolarHBondContact O-N 3.46Å; L105-V109 HydrophobicContact CB-CG2 4.33Å; L105-I112 HydrophobicContact CB-CD1 4.05Å; L105-I112 HydrophobicContact CD1-CD1 4.11Å
106E98.1Very high98.5Very high9 Ų921.4 Ų21.44%0.04212%0.117CC..THydrogen-bonded Turntrans-47.4-32.9-167-178.1178.6-127.200115.2A102 K103 L150 R151 I152A102-E106 PolarHBondContact O-N 2.93Å; K103-E106 IonicContact NZ-OE1 3.85Å; K103-E106 PolarHBondContact NZ-OE1 3.45Å; K103-E106 IonicContact NZ-OE2 2.71Å; K103-E106 PolarHBondContact NZ-OE2 3.12Å; E106-L150 HydrophobicContact CB-CD2 4.47Å; E106-L150 HydrophobicContact CG-CD2 4.43Å; E106-L150 WeakPolarHBondContact OE1-CA 3.43Å; E106-R151 WeakPolarHBondContact OE1-CB 3.18Å; E106-R151 PolarHBondContact OE1-N 3.13Å; E106-R151 IonicContact OE1-NE 3.58Å; E106-R151 IonicContact OE2-CZ 2.72Å; E106-R151 IonicContact OE2-NE 3.54Å; E106-R151 PolarHBondContact OE2-NE 2.98Å; E106-R151 VanDerWaalsContact OE2-NE 3.16Å; E106-R151 IonicContact OE2-NH2 3.16Å; E106-R151 PolarHBondContact OE2-NH2 3.18Å; E106-I152 HydrophobicContact CB-CD1 4.42Å; E106-I152 HydrophobicContact CG-CD1 4.34Å; E106-I152 HydrophobicContact CG-CG1 4.23Å
107N97.2Very high98.2Very high89 Ų8919.6 Ų19.648%0.47610%0.098SC..THydrogen-bonded Turntrans-90.1-7.6-175-58.4-52.5000114.3K83 L105 R151K83-N107 WeakPolarHBondContact CE-O 3.23Å; K83-N107 PolarHBondContact NZ-O 3.11Å; L105-N107 PolarHBondContact O-N 2.77Å; N107-R151 PolarHBondContact OD1-NH2 2.78Å
108D98.2Very high97.9Very high7 Ų719.9 Ų19.94%0.03710%0.1CC..THydrogen-bonded Turntrans-121.4-0-168.9-58.1-59.4000113.8R56 T78 L105R56-D108 IonicContact CZ-OD1 3.43Å; R56-D108 IonicContact CZ-OD2 3.54Å; R56-D108 IonicContact NE-OD1 3.97Å; R56-D108 IonicContact NE-OD2 3.52Å; R56-D108 PolarHBondContact NE-OD2 3.26Å; R56-D108 IonicContact NH2-OD1 2.72Å; R56-D108 PolarHBondContact NH2-OD1 2.87Å; R56-D108 IonicContact NH2-OD2 2.71Å; R56-D108 PolarHBondContact NH2-OD2 3.29Å; T78-D108 HydrophobicContact CG2-CB 4Å; L105-D108 PolarHBondContact O-N 3.46Å
109V98.5Very high97.5Very high7 Ų721.6 Ų21.64%0.04211%0.111CC..SBendtrans-137.7159.5-175-51.60000111.3F76 K83 V86 V88 L105 G111 I112 I152F76-V109 HydrophobicContact CE1-CG1 3.78Å; F76-V109 HydrophobicContact CZ-CG1 4.06Å; K83-V109 CarbonylContact O-C 3.48Å; V86-V109 HydrophobicContact CG1-CB 4.11Å; V86-V109 HydrophobicContact CG1-CG1 4.14Å; V88-V109 HydrophobicContact CG2-CB 4.43Å; V88-V109 HydrophobicContact CG2-CG1 3.69Å; L105-V109 HydrophobicContact CB-CG2 4.33Å; V109-G111 WeakPolarHBondContact CG2-O 3.33Å; V109-I112 HydrophobicContact CG2-CD1 4.09Å; V109-I152 HydrophobicContact CG2-CD1 3.67Å
110M97.5Very high96.9Very high3 Ų326.1 Ų26.12%0.01513%0.129CC..SBendtrans-74.8-31.8178.5179.259.7-157.400112.5P8 F10 Y40 K83 N84 V86 I87 P153P8-M110 HydrophobicContact CB-CE 3.76Å; P8-M110 HydrophobicContact CB-SD 3.53Å; P8-M110 VanDerWaalsContact CB-SD 3.53Å; P8-M110 HydrophobicContact CG-CE 4.03Å; P8-M110 HydrophobicContact CG-SD 3.67Å; P8-M110 WeakPolarHBondContact O-CE 3.18Å; F10-M110 HydrophobicContact CB-CE 3.59Å; F10-M110 HydrophobicContact CD2-CE 4.46Å; Y40-M110 HydrophobicContact CD1-CG 4.41Å; Y40-M110 HydrophobicContact CE1-CG 4.12Å; K83-M110 PolarHBondContact O-N 3.41Å; K83-M110 VanDerWaalsContact O-N 3.09Å; N84-M110 VanDerWaalsContact O-SD 3.34Å; V86-M110 VanDerWaalsContact O-CB 3.26Å; V86-M110 WeakPolarHBondContact O-CB 3.39Å; V86-M110 PolarHBondContact O-N 3.23Å; I87-M110 HydrophobicContact CG1-CB 4.5Å; M110-P153 HydrophobicContact CE-CG 4.32Å; M110-P153 VanDerWaalsContact O-CD 3.22Å; M110-P153 WeakPolarHBondContact O-CD 3.46Å; M110-P153 VanDerWaalsContact O-CG 3.26Å; M110-P153 WeakPolarHBondContact O-CG 3.4Å
111G98.5Very high96.3Very high1 Ų124.1 Ų24.11%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-169.3170.7-174.400000112.8I87 V88 V109 P153I87-G111 WeakPolarHBondContact CA-O 3.38Å; V88-G111 PolarHBondContact N-O 3.47Å; V109-G111 WeakPolarHBondContact CG2-O 3.33Å; G111-P153 VanDerWaalsContact CA-O 3.26Å; G111-P153 WeakPolarHBondContact CA-O 3.23Å
112I98.9Very high95.5Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-115.9132.9174.6-60.9-63000108.8V88 L90 A102 L105 V109 L150 I152 P153 V154 T155V88-I112 HydrophobicContact CB-CD1 4.34Å; V88-I112 WeakPolarHBondContact O-CA 3.46Å; L90-I112 HydrophobicContact CD1-CG2 3.74Å; L90-I112 HydrophobicContact CG-CG2 4.1Å; A102-I112 HydrophobicContact CB-CD1 4.29Å; A102-I112 HydrophobicContact CB-CG1 4.03Å; A102-I112 HydrophobicContact CB-CG2 4.34Å; L105-I112 HydrophobicContact CB-CD1 4.05Å; L105-I112 HydrophobicContact CD1-CD1 4.11Å; V109-I112 HydrophobicContact CG2-CD1 4.09Å; I112-L150 HydrophobicContact CB-CD1 4.31Å; I112-L150 HydrophobicContact CG1-CD1 4Å; I112-I152 HydrophobicContact CD1-CD1 4.28Å; I112-I152 HydrophobicContact CG1-CD1 3.81Å; I112-I152 HydrophobicContact CG1-CG1 4.44Å; I112-P153 PolarHBondContact N-O 3.48Å; I112-V154 CarbonylContact O-C 2.93Å; I112-V154 VanDerWaalsContact O-CA 3.23Å; I112-V154 WeakPolarHBondContact O-CA 3.49Å; I112-T155 PolarHBondContact O-N 3.39Å
113D98.9Very high94.9Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-111.9139.8173.1-173.476.7000110.4I87 V88 Q89 L90 T155 C156I87-D113 HydrophobicContact CG2-CB 3.71Å; V88-D113 PolarHBondContact O-N 3.44Å; Q89-D113 CarbonylContact C-O 3.6Å; Q89-D113 VanDerWaalsContact CA-O 3.31Å; Q89-D113 WeakPolarHBondContact CA-O 3.43Å; Q89-D113 HydrophobicContact CB-CB 4.15Å; Q89-D113 HydrophobicContact CG-CB 4.39Å; Q89-D113 WeakPolarHBondContact CG-OD2 3.45Å; Q89-D113 PolarHBondContact NE2-OD2 2.87Å; L90-D113 PolarHBondContact N-O 3.3Å; D113-T155 CarbonylContact C-O 3.39Å; D113-T155 VanDerWaalsContact CA-O 3.31Å; D113-T155 WeakPolarHBondContact CA-O 3.33Å; D113-T155 WeakPolarHBondContact CB-OG1 3.26Å; D113-T155 WeakPolarHBondContact OD1-CB 3.29Å; D113-T155 PolarHBondContact OD1-OG1 3.5Å; D113-C156 VanDerWaalsContact OD1-C 3.22Å; D113-C156 WeakPolarHBondContact OD1-CA 3.14Å; D113-C156 PolarHBondContact OD1-N 2.95Å; D113-C156 VanDerWaalsContact OD1-N 3.08Å
114V98.9Very high94.4Very high1 Ų129.1 Ų29.11%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-102.7121.7172.9-179.10000110.5T92 M116 I142 L143 L146 T155 C156 K157T92-V114 HydrophobicContact CG2-CG1 4.14Å; V114-M116 HydrophobicContact CG1-CE 4.44Å; V114-M116 HydrophobicContact CG1-CG 4.22Å; V114-M116 PolarHBondContact O-N 2.95Å; V114-I142 HydrophobicContact CG1-CG2 4.31Å; V114-I142 HydrophobicContact CG2-CG2 4.27Å; V114-L143 HydrophobicContact CB-CD2 4.01Å; V114-L143 HydrophobicContact CG2-CD2 3.82Å; V114-L146 HydrophobicContact CG2-CD1 3.45Å; V114-L146 VanDerWaalsContact CG2-CD1 3.45Å; V114-T155 PolarHBondContact N-O 2.82Å; V114-C156 HydrophobicContact CB-CB 4.2Å; V114-C156 WeakPolarHBondContact O-CA 3.28Å; V114-C156 WeakPolarHBondContact O-CB 3.3Å; V114-K157 PolarHBondContact O-N 3.22Å
115N98.7Very high93.8Very high6 Ų635.6 Ų35.63%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-77.1119.3174.9-168.57.1000111.5E45 Q89 L90 G117 C118 G129E45-N115 HydrophobicContact CG-CB 4.48Å; E45-N115 PolarHBondContact OE1-ND2 3.06Å; E45-N115 PolarHBondContact OE2-ND2 2.64Å; Q89-N115 HydrophobicContact CG-CB 3.78Å; L90-N115 WeakPolarHBondContact O-CB 2.95Å; L90-N115 PolarHBondContact O-N 3.03Å; N115-G117 PolarHBondContact OD1-N 3.4Å; N115-C118 VanDerWaalsContact ND2-CB 3.31Å; N115-C118 WeakPolarHBondContact ND2-CB 3.3Å; N115-C118 PolarHBondContact OD1-N 3.17Å; N115-G129 VanDerWaalsContact O-CA 3.3Å; N115-G129 WeakPolarHBondContact O-CA 3.45Å; N115-G129 PolarHBondContact O-N 2.66Å
116M97.8Very high93.4Very high1 Ų137.3 Ų37.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-122.519.9171.8-63.5-178.6-100.600111.5V114 G129 L132 L133 V139 L143 C156 K157 I158 I174V114-M116 HydrophobicContact CG1-CE 4.44Å; V114-M116 HydrophobicContact CG1-CG 4.22Å; V114-M116 PolarHBondContact O-N 2.95Å; M116-G129 VanDerWaalsContact C-C 3.48Å; M116-G129 CarbonylContact C-O 3.53Å; M116-G129 VanDerWaalsContact CA-O 3.3Å; M116-G129 WeakPolarHBondContact CA-O 3.27Å; M116-L132 HydrophobicContact CB-CB 4.39Å; M116-L132 HydrophobicContact CG-CB 3.98Å; M116-L132 HydrophobicContact CG-CD1 3.77Å; M116-L132 HydrophobicContact SD-CB 4.44Å; M116-L133 HydrophobicContact CB-CD2 4.22Å; M116-L133 WeakPolarHBondContact O-CD1 3.38Å; M116-L133 VanDerWaalsContact O-CD2 3.23Å; M116-L133 WeakPolarHBondContact O-CD2 3.36Å; M116-L133 WeakPolarHBondContact O-CG 3.45Å; M116-V139 HydrophobicContact CE-CG1 4.17Å; M116-V139 HydrophobicContact SD-CB 4.21Å; M116-V139 HydrophobicContact SD-CG1 3.59Å; M116-V139 VanDerWaalsContact SD-CG1 3.59Å; M116-V139 HydrophobicContact SD-CG2 3.6Å; M116-V139 VanDerWaalsContact SD-CG2 3.6Å; M116-L143 HydrophobicContact CE-CD1 3.98Å; M116-L143 HydrophobicContact CE-CD2 4.25Å; M116-L143 HydrophobicContact CE-CG 4.43Å; M116-C156 HydrophobicContact CE-CB 3.22Å; M116-C156 WeakPolarHBondContact CE-SG 3.18Å; M116-K157 CarbonylContact C-O 3.54Å; M116-K157 VanDerWaalsContact CA-O 3.3Å; M116-K157 WeakPolarHBondContact CA-O 3.33Å; M116-K157 WeakPolarHBondContact CB-O 3.49Å; M116-K157 PolarHBondContact N-O 3.28Å; M116-I158 HydrophobicContact CB-CG2 4.03Å; M116-I158 HydrophobicContact CE-CG2 4.28Å; M116-I158 HydrophobicContact SD-CG2 4.37Å; M116-I174 HydrophobicContact CE-CD1 4.18Å
117G92.5Very high93.2Very high3 Ų337.6 Ų37.63%0.03120%0.203CC..  trans-125.3-6-17100000116.2N115 P119 K157 R159N115-G117 PolarHBondContact OD1-N 3.4Å; G117-P119 WeakPolarHBondContact O-CD 3.34Å; G117-K157 PolarHBondContact N-O 2.76Å; G117-R159 WeakPolarHBondContact O-CD 3.27Å; G117-R159 PolarHBondContact O-NE 3.09Å
118C91.9Very high93.1Very high18 Ų1834 Ų3412%0.12218%0.184CC..  trans-77.7118.5-177-171.30000112N115 K120 A130N115-C118 VanDerWaalsContact ND2-CB 3.31Å; N115-C118 WeakPolarHBondContact ND2-CB 3.3Å; N115-C118 PolarHBondContact OD1-N 3.17Å; C118-K120 VanDerWaalsContact C-N 3.3Å; C118-K120 PolarHBondContact O-N 2.8Å; C118-A130 WeakPolarHBondContact O-CB 3.28Å; C118-A130 PolarHBondContact O-N 3.39Å
119P89.5Confident92.9Very high37 Ų3733.7 Ų33.724%0.2418%0.182CC..  trans-87.25.9-178.837.4-38000113.2G117 I189G117-P119 WeakPolarHBondContact O-CD 3.34Å; P119-I189 HydrophobicContact CB-CG2 3.6Å
120K87.5Confident92.8Very high131 Ų13133.4 Ų33.457%0.5718%0.181SC*.  trans-69.9144.6-172.7-69.8-71.6-176.1175.90110.8C118 Y122 S123 I124C118-K120 VanDerWaalsContact C-N 3.3Å; C118-K120 PolarHBondContact O-N 2.8Å; K120-Y122 VanDerWaalsContact C-N 3.26Å; K120-Y122 HydrophobicContact CB-CD1 3.64Å; K120-Y122 HydrophobicContact CB-CE1 3.36Å; K120-Y122 HydrophobicContact CG-CD1 4.47Å; K120-Y122 HydrophobicContact CG-CE1 3.83Å; K120-Y122 PolarHBondContact O-N 3.03Å; K120-S123 WeakPolarHBondContact O-CA 3.48Å; K120-S123 VanDerWaalsContact O-CB 3.29Å; K120-S123 WeakPolarHBondContact O-CB 3.34Å; K120-S123 PolarHBondContact O-N 2.94Å; K120-I124 PolarHBondContact O-N 2.93Å
121A85.2Confident92.7Very high65 Ų6533.9 Ų33.954%0.53719%0.185SC..Hα-helixtrans-56.5-36.8-176.400000113.6S123 K125A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.43Å; A121-K125 VanDerWaalsContact O-CB 3.29Å; A121-K125 WeakPolarHBondContact O-CB 3.31Å; A121-K125 VanDerWaalsContact O-CG 3.28Å; A121-K125 WeakPolarHBondContact O-CG 3.4Å; A121-K125 PolarHBondContact O-N 3.44Å
122Y83.2Confident92.6Very high110 Ų11033.8 Ų33.843%0.43118%0.184SC..Hα-helixtrans-63.5-36.7175.974.2-98.6000112E45 I47 K120 G126 M128E45-Y122 PolarHBondContact OE2-OH 3.36Å; I47-Y122 HydrophobicContact CD1-CE2 4.13Å; K120-Y122 VanDerWaalsContact C-N 3.26Å; K120-Y122 HydrophobicContact CB-CD1 3.64Å; K120-Y122 HydrophobicContact CB-CE1 3.36Å; K120-Y122 HydrophobicContact CG-CD1 4.47Å; K120-Y122 HydrophobicContact CG-CE1 3.83Å; K120-Y122 PolarHBondContact O-N 3.03Å; Y122-G126 PolarHBondContact O-N 2.9Å; Y122-M128 HydrophobicContact CD2-CE 3.89Å; Y122-M128 HydrophobicContact CE2-CE 4.2Å
123S85.9Confident92.5Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-71.2-49.2-179.6-168.80000110.1K120 A121 K125 G126 G127 M128 G129K120-S123 WeakPolarHBondContact O-CA 3.48Å; K120-S123 VanDerWaalsContact O-CB 3.29Å; K120-S123 WeakPolarHBondContact O-CB 3.34Å; K120-S123 PolarHBondContact O-N 2.94Å; A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.43Å; S123-K125 PolarHBondContact O-N 2.9Å; S123-G126 PolarHBondContact O-N 2.74Å; S123-G127 PolarHBondContact O-N 3.47Å; S123-M128 CarbonylContact C-O 3.27Å; S123-M128 WeakPolarHBondContact O-CG 3.3Å; S123-M128 PolarHBondContact O-N 3.4Å; S123-M128 VanDerWaalsContact O-O 3.08Å; S123-M128 PolarHBondContact OG-O 2.77Å; S123-G129 VanDerWaalsContact OG-CA 3.28Å; S123-G129 WeakPolarHBondContact OG-CA 3.49Å; S123-G129 PolarHBondContact OG-N 3.42Å
124I87.2Confident92.3Very high71 Ų7139.2 Ų39.236%0.36422%0.217SC..Hα-helixtrans-61-48.7177.8-59-59.2000112K120 G126 G127 A130 A131K120-I124 PolarHBondContact O-N 2.93Å; I124-G126 VanDerWaalsContact C-N 3.28Å; I124-G126 PolarHBondContact O-N 3.24Å; I124-G127 PolarHBondContact O-N 3.29Å; I124-G127 VanDerWaalsContact O-N 3.08Å; I124-A130 HydrophobicContact CD1-CB 3.87Å; I124-A131 HydrophobicContact CD1-CB 4.05Å
125K87.9Confident92.2Very high188 Ų18843.5 Ų43.582%0.81724%0.236SC*.Hα-helixtrans-65.2-32.6179.1-72.5-179.2178.4-172.70112.4A121 S123 G127A121-K125 VanDerWaalsContact O-CB 3.29Å; A121-K125 WeakPolarHBondContact O-CB 3.31Å; A121-K125 VanDerWaalsContact O-CG 3.28Å; A121-K125 WeakPolarHBondContact O-CG 3.4Å; A121-K125 PolarHBondContact O-N 3.44Å; S123-K125 PolarHBondContact O-N 2.9Å; K125-G127 PolarHBondContact O-N 3.16Å
126G90Very high92.1Very high37 Ų3745.8 Ų45.838%0.38125%0.251SS..THydrogen-bonded Turntrans-74.4-5.5174.500000114.1P93 Y122 S123 I124 M128P93-G126 VanDerWaalsContact CB-O 3.23Å; P93-G126 WeakPolarHBondContact CB-O 3.44Å; Y122-G126 PolarHBondContact O-N 2.9Å; S123-G126 PolarHBondContact O-N 2.74Å; I124-G126 VanDerWaalsContact C-N 3.28Å; I124-G126 PolarHBondContact O-N 3.24Å; G126-M128 VanDerWaalsContact C-N 3.31Å
127G93.1Very high92.1Very high14 Ų1451.6 Ų51.614%0.14428%0.278CS..THydrogen-bonded Turntrans77.114.3-17800000114.7S123 I124 K125S123-G127 PolarHBondContact O-N 3.47Å; I124-G127 PolarHBondContact O-N 3.29Å; I124-G127 VanDerWaalsContact O-N 3.08Å; K125-G127 PolarHBondContact O-N 3.16Å
128M95Very high92.4Very high14 Ų1454 Ų547%0.06929%0.289CS..  trans-118.6-179.1-175.661-174.1171.300111.8I47 T92 P93 Y122 S123 G126 A130 A131I47-M128 HydrophobicContact CD1-CE 3.47Å; I47-M128 VanDerWaalsContact CD1-CE 3.47Å; I47-M128 HydrophobicContact CD1-SD 3.77Å; I47-M128 HydrophobicContact CG1-CE 4.22Å; I47-M128 HydrophobicContact CG2-CE 4.29Å; I47-M128 HydrophobicContact CG2-SD 4.34Å; T92-M128 VanDerWaalsContact C-CB 3.49Å; T92-M128 VanDerWaalsContact O-CB 3.23Å; T92-M128 WeakPolarHBondContact O-CB 3.31Å; P93-M128 HydrophobicContact CB-CB 4.35Å; Y122-M128 HydrophobicContact CD2-CE 3.89Å; Y122-M128 HydrophobicContact CE2-CE 4.2Å; S123-M128 CarbonylContact C-O 3.27Å; S123-M128 WeakPolarHBondContact O-CG 3.3Å; S123-M128 PolarHBondContact O-N 3.4Å; S123-M128 VanDerWaalsContact O-O 3.08Å; S123-M128 PolarHBondContact OG-O 2.77Å; G126-M128 VanDerWaalsContact C-N 3.31Å; M128-A130 PolarHBondContact O-N 2.88Å; M128-A131 WeakPolarHBondContact O-CB 3.45Å; M128-A131 PolarHBondContact O-N 2.96Å
129G94.6Very high92.7Very high0 Ų053.2 Ų53.20%028%0.284CS..G310 helixtrans58-130.5-179.300000111.6N115 M116 S123 A131 L132N115-G129 VanDerWaalsContact O-CA 3.3Å; N115-G129 WeakPolarHBondContact O-CA 3.45Å; N115-G129 PolarHBondContact O-N 2.66Å; M116-G129 VanDerWaalsContact C-C 3.48Å; M116-G129 CarbonylContact C-O 3.53Å; M116-G129 VanDerWaalsContact CA-O 3.3Å; M116-G129 WeakPolarHBondContact CA-O 3.27Å; S123-G129 VanDerWaalsContact OG-CA 3.28Å; S123-G129 WeakPolarHBondContact OG-CA 3.49Å; S123-G129 PolarHBondContact OG-N 3.42Å; G129-A131 PolarHBondContact O-N 3.49Å; G129-A131 VanDerWaalsContact O-N 3.07Å; G129-L132 WeakPolarHBondContact O-CB 3.29Å; G129-L132 PolarHBondContact O-N 3.03Å
130A95.2Very high93.1Very high2 Ų255.9 Ų55.92%0.01729%0.292CS..G310 helixtrans-66-12.9-17600000114.3C118 I124 M128 L132 L133 I189C118-A130 WeakPolarHBondContact O-CB 3.28Å; C118-A130 PolarHBondContact O-N 3.39Å; I124-A130 HydrophobicContact CD1-CB 3.87Å; M128-A130 PolarHBondContact O-N 2.88Å; A130-L132 PolarHBondContact O-N 3.45Å; A130-L133 HydrophobicContact CB-CD1 4.1Å; A130-L133 WeakPolarHBondContact O-CB 3.43Å; A130-L133 PolarHBondContact O-N 2.91Å; A130-I189 HydrophobicContact CB-CD1 3.91Å; A130-I189 HydrophobicContact CB-CG1 3.95Å; A130-I189 HydrophobicContact CB-CG2 4.11Å
131A95.6Very high93.7Very high12 Ų1254.3 Ų54.310%0.09929%0.287CS..G310 helixtrans-68.3-21.1171.700000113I124 M128 G129 L133 T134I124-A131 HydrophobicContact CD1-CB 4.05Å; M128-A131 WeakPolarHBondContact O-CB 3.45Å; M128-A131 PolarHBondContact O-N 2.96Å; G129-A131 PolarHBondContact O-N 3.49Å; G129-A131 VanDerWaalsContact O-N 3.07Å; A131-L133 VanDerWaalsContact C-N 3.34Å; A131-T134 PolarHBondContact O-OG1 3.18Å
132L97.5Very high94.3Very high0 Ų051.3 Ų51.30%026%0.261CS..G310 helixtrans-74.7-23.8176.2-67.9172.6000112.5M116 G129 A130 T134 K135 I138 V139 I142M116-L132 HydrophobicContact CB-CB 4.39Å; M116-L132 HydrophobicContact CG-CB 3.98Å; M116-L132 HydrophobicContact CG-CD1 3.77Å; M116-L132 HydrophobicContact SD-CB 4.44Å; G129-L132 WeakPolarHBondContact O-CB 3.29Å; G129-L132 PolarHBondContact O-N 3.03Å; A130-L132 PolarHBondContact O-N 3.45Å; L132-T134 PolarHBondContact O-N 3.03Å; L132-T134 VanDerWaalsContact O-N 3.09Å; L132-K135 CarbonylContact O-C 3.59Å; L132-K135 PolarHBondContact O-N 3.02Å; L132-I138 HydrophobicContact CD2-CB 4.44Å; L132-I138 HydrophobicContact CD2-CG2 3.8Å; L132-V139 HydrophobicContact CB-CG2 3.88Å; L132-V139 VanDerWaalsContact O-CG2 3.31Å; L132-V139 WeakPolarHBondContact O-CG2 3.07Å; L132-I142 HydrophobicContact CD1-CD1 4.25Å; L132-I142 HydrophobicContact CD2-CD1 3.96Å
133L96.6Very high95.1Very high6 Ų646.1 Ų46.13%0.03124%0.241CC..G310 helixtrans-61.5-23.2-178.3-65.1174000113.5M116 A130 A131 I158 R159 L161 L170 I189M116-L133 HydrophobicContact CB-CD2 4.22Å; M116-L133 WeakPolarHBondContact O-CD1 3.38Å; M116-L133 VanDerWaalsContact O-CD2 3.23Å; M116-L133 WeakPolarHBondContact O-CD2 3.36Å; M116-L133 WeakPolarHBondContact O-CG 3.45Å; A130-L133 HydrophobicContact CB-CD1 4.1Å; A130-L133 WeakPolarHBondContact O-CB 3.43Å; A130-L133 PolarHBondContact O-N 2.91Å; A131-L133 VanDerWaalsContact C-N 3.34Å; L133-I158 HydrophobicContact CD2-CB 3.98Å; L133-I158 HydrophobicContact CD2-CG2 4.07Å; L133-R159 HydrophobicContact CD1-CB 4.12Å; L133-L161 HydrophobicContact CB-CD2 4.03Å; L133-L170 HydrophobicContact CD2-CD2 3.74Å; L133-I189 HydrophobicContact CD1-CD1 3.78Å; L133-I189 HydrophobicContact CD1-CG1 3.8Å
134T93.9Very high95.7Very high107 Ų10748.5 Ų48.566%0.65626%0.256SS*.G310 helixtrans-102.69.7176.261.10000112.8A131 L132 P136A131-T134 PolarHBondContact O-OG1 3.18Å; L132-T134 PolarHBondContact O-N 3.03Å; L132-T134 VanDerWaalsContact O-N 3.09Å; T134-P136 VanDerWaalsContact C-CD 3.45Å
135K96.8Very high96.3Very high92 Ų9247 Ų4740%0.425%0.25SC..  trans-129.762.2-176.9-60.5-177.9-177.2-1780110.9L132 E137 I138 V139L132-K135 CarbonylContact O-C 3.59Å; L132-K135 PolarHBondContact O-N 3.02Å; K135-E137 PolarHBondContact O-N 3.22Å; K135-E137 VanDerWaalsContact O-N 3.16Å; K135-I138 HydrophobicContact CB-CB 4.09Å; K135-I138 HydrophobicContact CB-CG1 4.09Å; K135-I138 HydrophobicContact CD-CG1 4.37Å; K135-I138 PolarHBondContact O-N 3.45Å; K135-V139 PolarHBondContact O-N 3.22Å
136P97.3Very high96.8Very high54 Ų5438 Ų3835%0.35121%0.211SC..Hα-helixtrans-55.3-34-175.920.4-32.4000113.9T134 V139 K140 L173T134-P136 VanDerWaalsContact C-CD 3.45Å; P136-V139 WeakPolarHBondContact O-CB 3.23Å; P136-V139 PolarHBondContact O-N 3.24Å; P136-K140 WeakPolarHBondContact O-CB 3.26Å; P136-K140 PolarHBondContact O-N 3.21Å; P136-L173 HydrophobicContact CB-CD1 3.79Å
137E98Very high97.2Very high123 Ų12337.9 Ų37.958%0.57520%0.202SC*.Hα-helixtrans-64.5-44.7176.8-55.9-52.314800112.1K135 V139 K140 E141K135-E137 PolarHBondContact O-N 3.22Å; K135-E137 VanDerWaalsContact O-N 3.16Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 3.38Å; E137-K140 WeakPolarHBondContact O-CB 3.23Å; E137-K140 PolarHBondContact O-N 2.69Å; E137-E141 WeakPolarHBondContact O-CG 3.45Å; E137-E141 PolarHBondContact O-N 3Å
138I98.3Very high97.5Very high53 Ų5342.1 Ų42.127%0.27223%0.226SC..Hα-helixtrans-66.2-38.3176.3-56.7-58.7000110.9P93 L132 K135 K140 E141 I142P93-I138 WeakPolarHBondContact O-CG2 3.25Å; L132-I138 HydrophobicContact CD2-CB 4.44Å; L132-I138 HydrophobicContact CD2-CG2 3.8Å; K135-I138 HydrophobicContact CB-CB 4.09Å; K135-I138 HydrophobicContact CB-CG1 4.09Å; K135-I138 HydrophobicContact CD-CG1 4.37Å; K135-I138 PolarHBondContact O-N 3.45Å; I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 PolarHBondContact O-N 3.41Å; I138-E141 PolarHBondContact O-N 3.45Å; I138-I142 HydrophobicContact CG2-CD1 3.74Å; I138-I142 HydrophobicContact CG2-CG1 4.27Å; I138-I142 WeakPolarHBondContact O-CB 3.48Å; I138-I142 VanDerWaalsContact O-CG1 3.29Å; I138-I142 WeakPolarHBondContact O-CG1 3.35Å; I138-I142 PolarHBondContact O-N 3.19Å
139V98.6Very high97.6Very high1 Ų145.1 Ų45.11%0.00624%0.242CC..Hα-helixtrans-57.3-47.3172.7171.10000110.5M116 L132 K135 P136 E137 I142 L143 L170 L173 I174M116-V139 HydrophobicContact CE-CG1 4.17Å; M116-V139 HydrophobicContact SD-CB 4.21Å; M116-V139 HydrophobicContact SD-CG1 3.59Å; M116-V139 VanDerWaalsContact SD-CG1 3.59Å; M116-V139 HydrophobicContact SD-CG2 3.6Å; M116-V139 VanDerWaalsContact SD-CG2 3.6Å; L132-V139 HydrophobicContact CB-CG2 3.88Å; L132-V139 VanDerWaalsContact O-CG2 3.31Å; L132-V139 WeakPolarHBondContact O-CG2 3.07Å; K135-V139 PolarHBondContact O-N 3.22Å; P136-V139 WeakPolarHBondContact O-CB 3.23Å; P136-V139 PolarHBondContact O-N 3.24Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 3.38Å; V139-I142 PolarHBondContact O-N 3.35Å; V139-L143 HydrophobicContact CG1-CD1 3.75Å; V139-L143 HydrophobicContact CG1-CG 4.33Å; V139-L143 WeakPolarHBondContact O-CB 3.21Å; V139-L143 VanDerWaalsContact O-CG 3.31Å; V139-L143 WeakPolarHBondContact O-CG 3.43Å; V139-L143 PolarHBondContact O-N 3.04Å; V139-L170 HydrophobicContact CG1-CD1 4.42Å; V139-L173 HydrophobicContact CB-CD2 4.3Å; V139-L173 HydrophobicContact CG1-CD2 3.92Å; V139-I174 HydrophobicContact CG1-CG1 3.9Å
140K98.8Very high97.8Very high94 Ų9445.5 Ų45.541%0.40924%0.244SC..Hα-helixtrans-59.7-49.3178-171.5178.9179.9-179.60111.1P136 E137 I138 I142 L143 T144 L173 T177P136-K140 WeakPolarHBondContact O-CB 3.26Å; P136-K140 PolarHBondContact O-N 3.21Å; E137-K140 WeakPolarHBondContact O-CB 3.23Å; E137-K140 PolarHBondContact O-N 2.69Å; I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 PolarHBondContact O-N 3.41Å; K140-I142 PolarHBondContact O-N 3.42Å; K140-L143 PolarHBondContact O-N 2.8Å; K140-T144 WeakPolarHBondContact O-CB 3.39Å; K140-T144 PolarHBondContact O-N 3.28Å; K140-T144 PolarHBondContact O-OG1 3.24Å; K140-T144 VanDerWaalsContact O-OG1 3.08Å; K140-L173 HydrophobicContact CB-CD1 4.47Å; K140-L173 HydrophobicContact CB-CD2 4.08Å; K140-L173 HydrophobicContact CB-CG 4.42Å; K140-T177 HydrophobicContact CG-CG2 4.15Å
141E98.8Very high97.9Very high98 Ų9852.6 Ų52.646%0.45827%0.271SS..Hα-helixtrans-59.8-47.3179.7-70.4174.4-169.400112.3P95 E137 I138 T145P95-E141 HydrophobicContact CG-CB 3.59Å; E137-E141 WeakPolarHBondContact O-CG 3.45Å; E137-E141 PolarHBondContact O-N 3Å; I138-E141 PolarHBondContact O-N 3.45Å; E141-T145 WeakPolarHBondContact O-CB 3.47Å; E141-T145 PolarHBondContact O-N 3.24Å; E141-T145 PolarHBondContact O-OG1 3.29Å
142I98.9Very high98Very high1 Ų152.9 Ų52.91%0.00527%0.27CS..Hα-helixtrans-60.9-54.4179-69.5167.1000110T92 P95 A98 V114 L132 I138 V139 K140 T145 L146T92-I142 HydrophobicContact CG2-CD1 4.48Å; T92-I142 HydrophobicContact CG2-CG2 4.09Å; P95-I142 HydrophobicContact CG-CG1 4.08Å; A98-I142 HydrophobicContact CB-CG2 4.12Å; V114-I142 HydrophobicContact CG1-CG2 4.31Å; V114-I142 HydrophobicContact CG2-CG2 4.27Å; L132-I142 HydrophobicContact CD1-CD1 4.25Å; L132-I142 HydrophobicContact CD2-CD1 3.96Å; I138-I142 HydrophobicContact CG2-CD1 3.74Å; I138-I142 HydrophobicContact CG2-CG1 4.27Å; I138-I142 WeakPolarHBondContact O-CB 3.48Å; I138-I142 VanDerWaalsContact O-CG1 3.29Å; I138-I142 WeakPolarHBondContact O-CG1 3.35Å; I138-I142 PolarHBondContact O-N 3.19Å; V139-I142 PolarHBondContact O-N 3.35Å; K140-I142 PolarHBondContact O-N 3.42Å; I142-T145 PolarHBondContact O-N 3.09Å; I142-L146 HydrophobicContact CG2-CD1 4Å; I142-L146 WeakPolarHBondContact O-CG 3.49Å; I142-L146 PolarHBondContact O-N 2.87Å
143L98.9Very high98Very high1 Ų153.9 Ų53.91%0.00528%0.277CS..Hα-helixtrans-68.5-43.5-173.1-64.8178.4000111.9V114 M116 V139 K140 T145 L146 T147 V154 C156 I174 T177 V179V114-L143 HydrophobicContact CB-CD2 4.01Å; V114-L143 HydrophobicContact CG2-CD2 3.82Å; M116-L143 HydrophobicContact CE-CD1 3.98Å; M116-L143 HydrophobicContact CE-CD2 4.25Å; M116-L143 HydrophobicContact CE-CG 4.43Å; V139-L143 HydrophobicContact CG1-CD1 3.75Å; V139-L143 HydrophobicContact CG1-CG 4.33Å; V139-L143 WeakPolarHBondContact O-CB 3.21Å; V139-L143 VanDerWaalsContact O-CG 3.31Å; V139-L143 WeakPolarHBondContact O-CG 3.43Å; V139-L143 PolarHBondContact O-N 3.04Å; K140-L143 PolarHBondContact O-N 2.8Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.45Å; L143-L146 PolarHBondContact O-N 3.16Å; L143-T147 WeakPolarHBondContact O-CB 3.47Å; L143-T147 VanDerWaalsContact O-CG2 3.3Å; L143-T147 WeakPolarHBondContact O-CG2 3.49Å; L143-T147 PolarHBondContact O-N 3.41Å; L143-T147 PolarHBondContact O-OG1 3.25Å; L143-V154 HydrophobicContact CD2-CG1 4.4Å; L143-C156 HydrophobicContact CD2-CB 4.15Å; L143-I174 HydrophobicContact CD1-CB 4.22Å; L143-I174 HydrophobicContact CD1-CG1 3.88Å; L143-I174 HydrophobicContact CD1-CG2 3.91Å; L143-T177 HydrophobicContact CB-CG2 3.92Å; L143-T177 WeakPolarHBondContact CB-OG1 3.23Å; L143-T177 HydrophobicContact CD1-CG2 4.41Å; L143-V179 HydrophobicContact CB-CG1 4.17Å; L143-V179 HydrophobicContact CD1-CG1 3.92Å; L143-V179 HydrophobicContact CD2-CG1 3.89Å; L143-V179 HydrophobicContact CG-CG1 4.23Å
144T98.9Very high98.1Very high51 Ų5153.8 Ų53.831%0.31328%0.276SS..Hα-helixtrans-61.7-39.5176.1-66.50000111.4K140 T147 T148 T177K140-T144 WeakPolarHBondContact O-CB 3.39Å; K140-T144 PolarHBondContact O-N 3.28Å; K140-T144 PolarHBondContact O-OG1 3.24Å; K140-T144 VanDerWaalsContact O-OG1 3.08Å; T144-T147 WeakPolarHBondContact CA-OG1 3.19Å; T144-T147 PolarHBondContact O-OG1 2.73Å; T144-T148 WeakPolarHBondContact O-CB 3.19Å; T144-T148 PolarHBondContact O-N 3.04Å; T144-T148 PolarHBondContact O-OG1 2.99Å; T144-T177 WeakPolarHBondContact OG1-CB 3.27Å
145T98.9Very high98.3Very high38 Ų3848.9 Ų48.923%0.23325%0.246CC..Hα-helixtrans-62-45.6176.3-62.60000111P95 L99 E141 I142 L143 N149P95-T145 HydrophobicContact CB-CG2 4.06Å; P95-T145 WeakPolarHBondContact CB-OG1 3.4Å; L99-T145 HydrophobicContact CB-CG2 4.02Å; L99-T145 HydrophobicContact CD2-CG2 3.9Å; L99-T145 HydrophobicContact CG-CG2 4.45Å; E141-T145 WeakPolarHBondContact O-CB 3.47Å; E141-T145 PolarHBondContact O-N 3.24Å; E141-T145 PolarHBondContact O-OG1 3.29Å; I142-T145 PolarHBondContact O-N 3.09Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.45Å; T145-N149 WeakPolarHBondContact O-CB 3.39Å; T145-N149 PolarHBondContact O-N 2.87Å; T145-N149 PolarHBondContact O-ND2 2.93Å
146L98.9Very high98.4Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-67.3-49.6179.2-66.1173.4000112.1A98 L99 A102 V114 I142 L143 T148 N149 L150 V154A98-L146 HydrophobicContact CB-CD1 4.33Å; A98-L146 HydrophobicContact CB-CD2 4.07Å; A98-L146 HydrophobicContact CB-CG 4.37Å; L99-L146 HydrophobicContact CB-CD2 4.44Å; L99-L146 HydrophobicContact CD1-CD2 4.47Å; A102-L146 HydrophobicContact CB-CD2 3.77Å; V114-L146 HydrophobicContact CG2-CD1 3.45Å; V114-L146 VanDerWaalsContact CG2-CD1 3.45Å; I142-L146 HydrophobicContact CG2-CD1 4Å; I142-L146 WeakPolarHBondContact O-CG 3.49Å; I142-L146 PolarHBondContact O-N 2.87Å; L143-L146 PolarHBondContact O-N 3.16Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.94Å; L146-N149 PolarHBondContact O-N 2.98Å; L146-L150 HydrophobicContact CB-CD1 4.05Å; L146-L150 HydrophobicContact CD2-CD1 3.97Å; L146-L150 VanDerWaalsContact O-CB 3.27Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.18Å; L146-L150 PolarHBondContact O-N 3.41Å; L146-V154 HydrophobicContact CB-CG1 4.11Å; L146-V154 HydrophobicContact CB-CG2 3.86Å; L146-V154 HydrophobicContact CD1-CG1 4.27Å
147T98.6Very high98.5Very high34 Ų3442.8 Ų42.821%0.20921%0.214CC..Hα-helixtrans-65.7-32.4-176.255.40000112.7L143 T144 V154 T177 G178 V179L143-T147 WeakPolarHBondContact O-CB 3.47Å; L143-T147 VanDerWaalsContact O-CG2 3.3Å; L143-T147 WeakPolarHBondContact O-CG2 3.49Å; L143-T147 PolarHBondContact O-N 3.41Å; L143-T147 PolarHBondContact O-OG1 3.25Å; T144-T147 WeakPolarHBondContact CA-OG1 3.19Å; T144-T147 PolarHBondContact O-OG1 2.73Å; T147-V154 HydrophobicContact CG2-CB 3.79Å; T147-V154 HydrophobicContact CG2-CG1 4.27Å; T147-V154 HydrophobicContact CG2-CG2 4.11Å; T147-T177 WeakPolarHBondContact CB-O 3.42Å; T147-T177 WeakPolarHBondContact CG2-O 3.39Å; T147-T177 PolarHBondContact OG1-O 3.3Å; T147-G178 WeakPolarHBondContact CG2-O 3.44Å; T147-V179 HydrophobicContact CG2-CG1 4.12Å
148T98.6Very high98.5Very high103 Ų10337 Ų3763%0.63219%0.187SC*.Hα-helixtrans-75.6-33.9178.1-56.90000112.2T144 L146T144-T148 WeakPolarHBondContact O-CB 3.19Å; T144-T148 PolarHBondContact O-N 3.04Å; T144-T148 PolarHBondContact O-OG1 2.99Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.94Å
149N98.7Very high98.6Very high77 Ų7736 Ų3641%0.41218%0.18SC..Hα-helixtrans-103.6-14.9-169.9-69.7-82.9000114.3L99 K103 T145 L146L99-N149 HydrophobicContact CD1-CB 3.55Å; L99-N149 HydrophobicContact CD2-CB 3.96Å; L99-N149 HydrophobicContact CG-CB 4.43Å; K103-N149 WeakPolarHBondContact CE-O 3.4Å; K103-N149 PolarHBondContact NZ-O 3.36Å; T145-N149 WeakPolarHBondContact O-CB 3.39Å; T145-N149 PolarHBondContact O-N 2.87Å; T145-N149 PolarHBondContact O-ND2 2.93Å; L146-N149 PolarHBondContact O-N 2.98Å
150L98.2Very high98.5Very high9 Ų936 Ų365%0.04718%0.18CC..  trans-96.2144.2-179.9-63.9172.9000113L99 A102 K103 E106 I112 L146 I152 V154L99-L150 HydrophobicContact CD1-CD2 4.31Å; L99-L150 HydrophobicContact CD1-CG 4.46Å; A102-L150 HydrophobicContact CB-CD1 3.74Å; A102-L150 HydrophobicContact CB-CD2 3.92Å; A102-L150 HydrophobicContact CB-CG 4.4Å; K103-L150 HydrophobicContact CD-CD2 4.15Å; K103-L150 HydrophobicContact CG-CD2 4.3Å; E106-L150 HydrophobicContact CB-CD2 4.47Å; E106-L150 HydrophobicContact CG-CD2 4.43Å; E106-L150 WeakPolarHBondContact OE1-CA 3.43Å; I112-L150 HydrophobicContact CB-CD1 4.31Å; I112-L150 HydrophobicContact CG1-CD1 4Å; L146-L150 HydrophobicContact CB-CD1 4.05Å; L146-L150 HydrophobicContact CD2-CD1 3.97Å; L146-L150 VanDerWaalsContact O-CB 3.27Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.18Å; L146-L150 PolarHBondContact O-N 3.41Å; L150-I152 HydrophobicContact CB-CG1 4.44Å; L150-V154 HydrophobicContact CD1-CG2 3.76Å
151R96.5Very high98.5Very high151 Ų15132.7 Ų32.757%0.5717%0.166SC*.SBendtrans-85.3-16.7175.5-67.3174.4-77.4171.30112.4R7 E106 N107R7-R151 VanDerWaalsContact CZ-O 3.23Å; R7-R151 PolarHBondContact NE-O 2.9Å; R7-R151 PolarHBondContact NH2-O 2.99Å; E106-R151 WeakPolarHBondContact OE1-CB 3.18Å; E106-R151 PolarHBondContact OE1-N 3.13Å; E106-R151 IonicContact OE1-NE 3.58Å; E106-R151 IonicContact OE2-CZ 2.72Å; E106-R151 IonicContact OE2-NE 3.54Å; E106-R151 PolarHBondContact OE2-NE 2.98Å; E106-R151 VanDerWaalsContact OE2-NE 3.16Å; E106-R151 IonicContact OE2-NH2 3.16Å; E106-R151 PolarHBondContact OE2-NH2 3.18Å; N107-R151 PolarHBondContact OD1-NH2 2.78Å
152I97.6Very high98.4Very high18 Ų1832.5 Ų32.59%0.09217%0.174CC..SBendtrans-101.4156175.857.8176.1000111.1E106 V109 I112 L150E106-I152 HydrophobicContact CB-CD1 4.42Å; E106-I152 HydrophobicContact CG-CD1 4.34Å; E106-I152 HydrophobicContact CG-CG1 4.23Å; V109-I152 HydrophobicContact CG2-CD1 3.67Å; I112-I152 HydrophobicContact CD1-CD1 4.28Å; I112-I152 HydrophobicContact CG1-CD1 3.81Å; I112-I152 HydrophobicContact CG1-CG1 4.44Å; L150-I152 HydrophobicContact CB-CG1 4.44Å
153P98.3Very high98.4Very high21 Ų2136.2 Ų36.214%0.13619%0.191CC..  trans-58.7145.817725.6-38.3000112.5F10 M110 G111 I112 A180F10-P153 HydrophobicContact CB-CB 4.19Å; F10-P153 HydrophobicContact CB-CG 3.86Å; F10-P153 HydrophobicContact CG-CB 4.4Å; F10-P153 HydrophobicContact CG-CG 4.3Å; M110-P153 HydrophobicContact CE-CG 4.32Å; M110-P153 VanDerWaalsContact O-CD 3.22Å; M110-P153 WeakPolarHBondContact O-CD 3.46Å; M110-P153 VanDerWaalsContact O-CG 3.26Å; M110-P153 WeakPolarHBondContact O-CG 3.4Å; G111-P153 VanDerWaalsContact CA-O 3.26Å; G111-P153 WeakPolarHBondContact CA-O 3.23Å; I112-P153 PolarHBondContact N-O 3.48Å; P153-A180 HydrophobicContact CB-CB 3.85Å
154V98.8Very high98.3Very high4 Ų438.9 Ų38.92%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-112.1127.1172-178.50000108.6I112 L143 L146 T147 L150 V179 A180I112-V154 CarbonylContact O-C 2.93Å; I112-V154 VanDerWaalsContact O-CA 3.23Å; I112-V154 WeakPolarHBondContact O-CA 3.49Å; L143-V154 HydrophobicContact CD2-CG1 4.4Å; L146-V154 HydrophobicContact CB-CG1 4.11Å; L146-V154 HydrophobicContact CB-CG2 3.86Å; L146-V154 HydrophobicContact CD1-CG1 4.27Å; T147-V154 HydrophobicContact CG2-CB 3.79Å; T147-V154 HydrophobicContact CG2-CG1 4.27Å; T147-V154 HydrophobicContact CG2-CG2 4.11Å; L150-V154 HydrophobicContact CD1-CG2 3.76Å; V154-V179 HydrophobicContact CG1-CG1 4.27Å; V154-V179 CarbonylContact O-C 3.38Å; V154-V179 VanDerWaalsContact O-CA 3.3Å; V154-V179 WeakPolarHBondContact O-CA 3.46Å; V154-V179 WeakPolarHBondContact O-CB 3.45Å; V154-A180 PolarHBondContact O-N 3.27Å
155T98.8Very high98.3Very high4 Ų443 Ų433%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-115.8174.5171.664.60000109.6F10 I112 D113 V114 A180 A181F10-T155 HydrophobicContact CE1-CG2 4.3Å; F10-T155 HydrophobicContact CZ-CG2 4.01Å; I112-T155 PolarHBondContact O-N 3.39Å; D113-T155 CarbonylContact C-O 3.39Å; D113-T155 VanDerWaalsContact CA-O 3.31Å; D113-T155 WeakPolarHBondContact CA-O 3.33Å; D113-T155 WeakPolarHBondContact CB-OG1 3.26Å; D113-T155 WeakPolarHBondContact OD1-CB 3.29Å; D113-T155 PolarHBondContact OD1-OG1 3.5Å; V114-T155 PolarHBondContact N-O 2.82Å; T155-A180 HydrophobicContact CG2-CB 4.4Å; T155-A181 WeakPolarHBondContact CA-O 3.27Å; T155-A181 WeakPolarHBondContact CB-O 3.14Å; T155-A181 HydrophobicContact CG2-CB 3.93Å
156C98.9Very high98.2Very high0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-148.6165.4168.471.60000112.9D113 V114 M116 L143 I174 A181 T183D113-C156 VanDerWaalsContact OD1-C 3.22Å; D113-C156 WeakPolarHBondContact OD1-CA 3.14Å; D113-C156 PolarHBondContact OD1-N 2.95Å; D113-C156 VanDerWaalsContact OD1-N 3.08Å; V114-C156 HydrophobicContact CB-CB 4.2Å; V114-C156 WeakPolarHBondContact O-CA 3.28Å; V114-C156 WeakPolarHBondContact O-CB 3.3Å; M116-C156 HydrophobicContact CE-CB 3.22Å; M116-C156 WeakPolarHBondContact CE-SG 3.18Å; L143-C156 HydrophobicContact CD2-CB 4.15Å; C156-I174 VanDerWaalsContact SG-CG2 3.51Å; C156-A181 PolarHBondContact N-O 3.45Å; C156-T183 PolarHBondContact O-N 2.59Å
157K98.8Very high98.2Very high18 Ų1846.5 Ų46.58%0.07823%0.233CC..EExtended strand (participates in β ladder)trans-125.7122.3178.9-178177.7-171.9-59.40112.1P20 V114 M116 G117 T183 N216P20-K157 HydrophobicContact CG-CD 3.98Å; V114-K157 PolarHBondContact O-N 3.22Å; M116-K157 CarbonylContact C-O 3.54Å; M116-K157 VanDerWaalsContact CA-O 3.3Å; M116-K157 WeakPolarHBondContact CA-O 3.33Å; M116-K157 WeakPolarHBondContact CB-O 3.49Å; M116-K157 PolarHBondContact N-O 3.28Å; G117-K157 PolarHBondContact N-O 2.76Å; K157-T183 CarbonylContact C-O 3.4Å; K157-T183 WeakPolarHBondContact CA-O 3.48Å; K157-T183 HydrophobicContact CB-CG2 4.48Å; K157-T183 HydrophobicContact CD-CG2 4.21Å; K157-T183 HydrophobicContact CG-CG2 3.88Å; K157-N216 WeakPolarHBondContact CE-OD1 3.42Å
158I98.7Very high98.2Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-113.7163.4175.765.5171000112.5M116 L133 L170 I174 I182 T183 V184 H185M116-I158 HydrophobicContact CB-CG2 4.03Å; M116-I158 HydrophobicContact CE-CG2 4.28Å; M116-I158 HydrophobicContact SD-CG2 4.37Å; L133-I158 HydrophobicContact CD2-CB 3.98Å; L133-I158 HydrophobicContact CD2-CG2 4.07Å; I158-L170 HydrophobicContact CG2-CD2 4.45Å; I158-I174 HydrophobicContact CG2-CD1 3.73Å; I158-I182 HydrophobicContact CD1-CG2 4.25Å; I158-I182 HydrophobicContact CG1-CG2 4.1Å; I158-T183 PolarHBondContact N-O 3.48Å; I158-V184 HydrophobicContact CD1-CG2 4.2Å; I158-V184 HydrophobicContact CG1-CG1 4.5Å; I158-V184 HydrophobicContact CG1-CG2 4.09Å; I158-H185 PolarHBondContact O-N 2.61Å
159R98.4Very high98.2Very high32 Ų3244.2 Ų44.212%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-103.8155156-78.7-172.5-174.3-132.3-2.9108.4G117 L133 H185 R187 T188 E191G117-R159 WeakPolarHBondContact O-CD 3.27Å; G117-R159 PolarHBondContact O-NE 3.09Å; L133-R159 HydrophobicContact CD1-CB 4.12Å; R159-H185 HydrophobicContact CG-CB 4.28Å; R159-R187 VanDerWaalsContact CB-O 3.25Å; R159-R187 WeakPolarHBondContact CB-O 3.48Å; R159-R187 WeakPolarHBondContact CG-O 3.45Å; R159-T188 PolarHBondContact NH1-O 3.3Å; R159-E191 PolarHBondContact NH1-O 2.8Å; R159-E191 VanDerWaalsContact NH1-O 3.1Å
160I98.5Very high98.2Very high2 Ų241 Ų411%0.0121%0.206CC..PPolyproline II helixtrans-68.3149.5174.962.9169.6000111.4T167 V184 H185 G186 T188 R198 V201 I205I160-T167 HydrophobicContact CB-CG2 4.15Å; I160-T167 HydrophobicContact CG2-CG2 4.11Å; I160-V184 HydrophobicContact CG2-CG1 3.79Å; I160-H185 PolarHBondContact N-O 2.88Å; I160-G186 WeakPolarHBondContact CD1-O 3.49Å; I160-T188 HydrophobicContact CD1-CG2 4.36Å; I160-T188 HydrophobicContact CG1-CG2 4.06Å; I160-T188 WeakPolarHBondContact O-CA 3.31Å; I160-R198 HydrophobicContact CD1-CB 3.97Å; I160-R198 HydrophobicContact CD1-CG 3.99Å; I160-V201 HydrophobicContact CB-CG1 4.2Å; I160-V201 HydrophobicContact CD1-CB 4.5Å; I160-V201 HydrophobicContact CD1-CG1 4.32Å; I160-V201 HydrophobicContact CG2-CG1 3.64Å; I160-I205 HydrophobicContact CG2-CD1 4.35Å
161L98.1Very high98.2Very high24 Ų2440.5 Ų40.513%0.12620%0.203CC..PPolyproline II helixtrans-86.7162.4171.2-65.9171.4000110.2L133 E163 K166 T167 L170L133-L161 HydrophobicContact CB-CD2 4.03Å; L161-E163 VanDerWaalsContact C-N 3.29Å; L161-E163 PolarHBondContact O-N 2.64Å; L161-K166 HydrophobicContact CB-CB 4.45Å; L161-K166 HydrophobicContact CD1-CB 3.71Å; L161-T167 WeakPolarHBondContact CB-OG1 3.5Å; L161-T167 PolarHBondContact N-OG1 2.69Å; L161-T167 PolarHBondContact O-OG1 3.08Å; L161-L170 HydrophobicContact CD1-CD2 4.46Å
162P96.7Very high98.4Very high94 Ų9438.4 Ų38.461%0.6120%0.198SC*.SBendtrans-57.5-40.6176.7-2636000113.2
163E97.7Very high98.4Very high79 Ų7939.1 Ų39.137%0.36920%0.202SC..SBendtrans-93.1131.1175.5-51.994.9166.500111.4L161 E165 K166 T167L161-E163 VanDerWaalsContact C-N 3.29Å; L161-E163 PolarHBondContact O-N 2.64Å; E163-E165 PolarHBondContact O-N 2.81Å; E163-K166 HydrophobicContact CB-CB 4.39Å; E163-K166 HydrophobicContact CB-CD 4.43Å; E163-K166 HydrophobicContact CB-CG 4.13Å; E163-K166 PolarHBondContact O-N 2.75Å; E163-K166 IonicContact OE1-NZ 2.9Å; E163-K166 PolarHBondContact OE1-NZ 3.06Å; E163-K166 WeakPolarHBondContact OE2-CD 3.23Å; E163-K166 WeakPolarHBondContact OE2-CE 3.04Å; E163-K166 IonicContact OE2-NZ 2.78Å; E163-K166 PolarHBondContact OE2-NZ 3.24Å; E163-T167 PolarHBondContact O-N 3.39Å; E163-T167 PolarHBondContact O-OG1 3Å; E163-T167 VanDerWaalsContact O-OG1 3.07Å
164L97.7Very high98.4Very high58 Ų5838.1 Ų38.130%0.30420%0.196SC..Hα-helixtrans-62.9-43.6-178.4174.660.3000111.1K166 T167 I168 V201 T204L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 3.35Å; L164-T167 WeakPolarHBondContact O-CA 3.35Å; L164-T167 WeakPolarHBondContact O-CB 3.2Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.15Å; L164-I168 HydrophobicContact CD2-CD1 4.5Å; L164-I168 HydrophobicContact CG-CD1 3.85Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 3.18Å; L164-V201 HydrophobicContact CD1-CB 4.5Å; L164-V201 HydrophobicContact CD1-CG1 3.85Å; L164-V201 HydrophobicContact CD1-CG2 4.39Å; L164-T204 HydrophobicContact CD1-CG2 4.23Å; L164-T204 HydrophobicContact CD2-CG2 4.33Å
165E98.2Very high98.4Very high136 Ų13640.8 Ų40.864%0.63621%0.208SC*.Hα-helixtrans-60.7-40.8-177.9-62.670.2-15300110.9E163 T167 I168 A169E163-E165 PolarHBondContact O-N 2.81Å; E165-T167 VanDerWaalsContact C-N 3.34Å; E165-I168 PolarHBondContact O-N 2.77Å; E165-A169 WeakPolarHBondContact O-CB 3.39Å; E165-A169 PolarHBondContact O-N 3.28Å
166K98.3Very high98.4Very high113 Ų11344.5 Ų44.549%0.49123%0.234SC..Hα-helixtrans-67.4-36.7175.3-64.4-168.1-162.2152.60111.7L161 E163 L164 A169 L170L161-K166 HydrophobicContact CB-CB 4.45Å; L161-K166 HydrophobicContact CD1-CB 3.71Å; E163-K166 HydrophobicContact CB-CB 4.39Å; E163-K166 HydrophobicContact CB-CD 4.43Å; E163-K166 HydrophobicContact CB-CG 4.13Å; E163-K166 PolarHBondContact O-N 2.75Å; E163-K166 IonicContact OE1-NZ 2.9Å; E163-K166 PolarHBondContact OE1-NZ 3.06Å; E163-K166 WeakPolarHBondContact OE2-CD 3.23Å; E163-K166 WeakPolarHBondContact OE2-CE 3.04Å; E163-K166 IonicContact OE2-NZ 2.78Å; E163-K166 PolarHBondContact OE2-NZ 3.24Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 3.35Å; K166-A169 PolarHBondContact O-N 2.89Å; K166-L170 WeakPolarHBondContact O-CB 3.48Å; K166-L170 PolarHBondContact O-N 2.83Å
167T98.4Very high98.4Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-65.2-43.7175.9-51.50000111.2I160 L161 E163 L164 E165 L170 A171 I205I160-T167 HydrophobicContact CB-CG2 4.15Å; I160-T167 HydrophobicContact CG2-CG2 4.11Å; L161-T167 WeakPolarHBondContact CB-OG1 3.5Å; L161-T167 PolarHBondContact N-OG1 2.69Å; L161-T167 PolarHBondContact O-OG1 3.08Å; E163-T167 PolarHBondContact O-N 3.39Å; E163-T167 PolarHBondContact O-OG1 3Å; E163-T167 VanDerWaalsContact O-OG1 3.07Å; L164-T167 WeakPolarHBondContact O-CA 3.35Å; L164-T167 WeakPolarHBondContact O-CB 3.2Å; L164-T167 PolarHBondContact O-N 3.43Å; E165-T167 VanDerWaalsContact C-N 3.34Å; T167-L170 PolarHBondContact O-N 2.96Å; T167-A171 PolarHBondContact O-N 2.98Å; T167-I205 HydrophobicContact CG2-CD1 3.53Å; T167-I205 HydrophobicContact CG2-CG1 4.24Å
168I98.7Very high98.4Very high30 Ų3046.6 Ų46.615%0.15426%0.259CS..Hα-helixtrans-64.8-43.9176.4-65.5168.6000110.6L164 E165 L170 A171 K172 T204L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.15Å; L164-I168 HydrophobicContact CD2-CD1 4.5Å; L164-I168 HydrophobicContact CG-CD1 3.85Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 3.18Å; E165-I168 PolarHBondContact O-N 2.77Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 2.88Å; I168-A171 PolarHBondContact O-N 2.95Å; I168-K172 HydrophobicContact CG2-CD 4.29Å; I168-K172 WeakPolarHBondContact O-CG 3.26Å; I168-K172 PolarHBondContact O-N 2.88Å; I168-T204 HydrophobicContact CD1-CG2 3.79Å
169A98.7Very high98.4Very high58 Ų5846.8 Ų46.848%0.47926%0.26SS..Hα-helixtrans-59.8-42.7176.800000111.8E165 K166 K172 L173E165-A169 WeakPolarHBondContact O-CB 3.39Å; E165-A169 PolarHBondContact O-N 3.28Å; K166-A169 PolarHBondContact O-N 2.89Å; A169-K172 PolarHBondContact O-N 3.46Å; A169-L173 WeakPolarHBondContact O-CB 3.22Å; A169-L173 PolarHBondContact O-N 2.86Å
170L98.7Very high98.4Very high9 Ų946.7 Ų46.75%0.04727%0.266CS..Hα-helixtrans-62.8-44.1174.3179.761.5000111.7L133 V139 I158 L161 K166 T167 I168 K172 L173 I174L133-L170 HydrophobicContact CD2-CD2 3.74Å; V139-L170 HydrophobicContact CG1-CD1 4.42Å; I158-L170 HydrophobicContact CG2-CD2 4.45Å; L161-L170 HydrophobicContact CD1-CD2 4.46Å; K166-L170 WeakPolarHBondContact O-CB 3.48Å; K166-L170 PolarHBondContact O-N 2.83Å; T167-L170 PolarHBondContact O-N 2.96Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 2.88Å; L170-K172 PolarHBondContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 3.15Å; L170-I174 HydrophobicContact CD1-CD1 4.11Å; L170-I174 HydrophobicContact CD1-CG1 4.33Å; L170-I174 HydrophobicContact CG-CD1 3.91Å; L170-I174 WeakPolarHBondContact O-CB 3.41Å; L170-I174 VanDerWaalsContact O-CG1 3.27Å; L170-I174 WeakPolarHBondContact O-CG1 3.26Å; L170-I174 PolarHBondContact O-N 3.03Å
171A98.8Very high98.4Very high0 Ų046.6 Ų46.60%027%0.266CS..Hα-helixtrans-62.2-41.7178.300000112.5T167 I168 I174 E175 I182 I205 V209T167-A171 PolarHBondContact O-N 2.98Å; I168-A171 PolarHBondContact O-N 2.95Å; A171-I174 PolarHBondContact O-N 3.16Å; A171-E175 WeakPolarHBondContact O-CB 3.26Å; A171-E175 PolarHBondContact O-N 3.36Å; A171-I182 HydrophobicContact CB-CD1 4.33Å; A171-I205 HydrophobicContact CB-CG2 3.68Å; A171-V209 HydrophobicContact CB-CG1 3.96Å
172K98.8Very high98.4Very high107 Ų10745.4 Ų45.447%0.46526%0.26SS..Hα-helixtrans-66.7-37.8175-72.4-176.6175.6-174.50112.8I168 A169 L170 E175 S176 S208 V209I168-K172 HydrophobicContact CG2-CD 4.29Å; I168-K172 WeakPolarHBondContact O-CG 3.26Å; I168-K172 PolarHBondContact O-N 2.88Å; A169-K172 PolarHBondContact O-N 3.46Å; L170-K172 PolarHBondContact O-N 3.17Å; K172-E175 PolarHBondContact O-N 3.34Å; K172-S176 PolarHBondContact O-N 2.93Å; K172-S208 VanDerWaalsContact CE-O 3.23Å; K172-S208 WeakPolarHBondContact CE-O 3.32Å; K172-V209 HydrophobicContact CG-CG1 4.08Å
173L98.9Very high98.5Very high33 Ų3341 Ų4117%0.17323%0.231CC..Hα-helixtrans-62-46.3172.9175.6145000110.7P136 V139 K140 A169 L170 S176 T177P136-L173 HydrophobicContact CB-CD1 3.79Å; V139-L173 HydrophobicContact CB-CD2 4.3Å; V139-L173 HydrophobicContact CG1-CD2 3.92Å; K140-L173 HydrophobicContact CB-CD1 4.47Å; K140-L173 HydrophobicContact CB-CD2 4.08Å; K140-L173 HydrophobicContact CB-CG 4.42Å; A169-L173 WeakPolarHBondContact O-CB 3.22Å; A169-L173 PolarHBondContact O-N 2.86Å; L170-L173 PolarHBondContact O-N 3.15Å; L173-S176 WeakPolarHBondContact O-CB 3.19Å; L173-S176 PolarHBondContact O-N 2.84Å; L173-S176 PolarHBondContact O-OG 2.89Å; L173-T177 WeakPolarHBondContact O-CG2 3.43Å; L173-T177 PolarHBondContact O-N 3.18Å
174I98.8Very high98.6Very high0 Ų037.2 Ų37.20%021%0.213CC..Hα-helixtrans-60.5-45.9176.7-71.7167.6000110.7M116 V139 L143 C156 I158 L170 A171 S176 T177 V179 I182M116-I174 HydrophobicContact CE-CD1 4.18Å; V139-I174 HydrophobicContact CG1-CG1 3.9Å; L143-I174 HydrophobicContact CD1-CB 4.22Å; L143-I174 HydrophobicContact CD1-CG1 3.88Å; L143-I174 HydrophobicContact CD1-CG2 3.91Å; C156-I174 VanDerWaalsContact SG-CG2 3.51Å; I158-I174 HydrophobicContact CG2-CD1 3.73Å; L170-I174 HydrophobicContact CD1-CD1 4.11Å; L170-I174 HydrophobicContact CD1-CG1 4.33Å; L170-I174 HydrophobicContact CG-CD1 3.91Å; L170-I174 WeakPolarHBondContact O-CB 3.41Å; L170-I174 VanDerWaalsContact O-CG1 3.27Å; L170-I174 WeakPolarHBondContact O-CG1 3.26Å; L170-I174 PolarHBondContact O-N 3.03Å; A171-I174 PolarHBondContact O-N 3.16Å; I174-S176 VanDerWaalsContact C-N 3.27Å; I174-S176 PolarHBondContact O-N 2.74Å; I174-T177 PolarHBondContact O-N 3.47Å; I174-T177 VanDerWaalsContact O-N 3.11Å; I174-T177 PolarHBondContact O-OG1 3.02Å; I174-V179 HydrophobicContact CG2-CG1 4.41Å; I174-V179 HydrophobicContact CG2-CG2 3.39Å; I174-I182 HydrophobicContact CB-CD1 3.86Å; I174-I182 HydrophobicContact CG2-CD1 3.39Å; I174-I182 HydrophobicContact CG2-CG1 3.6Å
175E98.8Very high98.6Very high59 Ų5935.3 Ų35.328%0.27620%0.203SC..Hα-helixtrans-53.8-44.5174.1172.2-179.1-146.100111.9A171 K172 T177 G178 V209 G210 I211A171-E175 WeakPolarHBondContact O-CB 3.26Å; A171-E175 PolarHBondContact O-N 3.36Å; K172-E175 PolarHBondContact O-N 3.34Å; E175-T177 PolarHBondContact O-N 2.99Å; E175-G178 PolarHBondContact O-N 3.06Å; E175-V209 HydrophobicContact CB-CG1 4.45Å; E175-G210 WeakPolarHBondContact OE1-CA 3.2Å; E175-G210 PolarHBondContact OE1-N 2.97Å; E175-I211 HydrophobicContact CB-CD1 3.95Å; E175-I211 HydrophobicContact CB-CG1 4.1Å; E175-I211 HydrophobicContact CG-CD1 4.36Å; E175-I211 HydrophobicContact CG-CG1 4.14Å; E175-I211 HydrophobicContact CG-CG2 4.21Å
176S98.7Very high98.6Very high82 Ų8228.9 Ų28.957%0.57317%0.173SC*.Hα-helixtrans-62.8-16.5-178.780.30000114.4K172 L173 I174 G178K172-S176 PolarHBondContact O-N 2.93Å; L173-S176 WeakPolarHBondContact O-CB 3.19Å; L173-S176 PolarHBondContact O-N 2.84Å; L173-S176 PolarHBondContact O-OG 2.89Å; I174-S176 VanDerWaalsContact C-N 3.27Å; I174-S176 PolarHBondContact O-N 2.74Å; S176-G178 VanDerWaalsContact C-N 3.31Å
177T98.7Very high98.6Very high7 Ų723.6 Ų23.64%0.04315%0.15CC..THydrogen-bonded Turntrans-84.7-6.917877.60000112.9K140 L143 T144 T147 L173 I174 E175K140-T177 HydrophobicContact CG-CG2 4.15Å; L143-T177 HydrophobicContact CB-CG2 3.92Å; L143-T177 WeakPolarHBondContact CB-OG1 3.23Å; L143-T177 HydrophobicContact CD1-CG2 4.41Å; T144-T177 WeakPolarHBondContact OG1-CB 3.27Å; T147-T177 WeakPolarHBondContact CB-O 3.42Å; T147-T177 WeakPolarHBondContact CG2-O 3.39Å; T147-T177 PolarHBondContact OG1-O 3.3Å; L173-T177 WeakPolarHBondContact O-CG2 3.43Å; L173-T177 PolarHBondContact O-N 3.18Å; I174-T177 PolarHBondContact O-N 3.47Å; I174-T177 VanDerWaalsContact O-N 3.11Å; I174-T177 PolarHBondContact O-OG1 3.02Å; E175-T177 PolarHBondContact O-N 2.99Å
178G97.8Very high98.5Very high55 Ų5524.4 Ų24.457%0.56716%0.155SC*.THydrogen-bonded Turntrans81.624.6-179.200000114.7T147 E175 S176T147-G178 WeakPolarHBondContact CG2-O 3.44Å; E175-G178 PolarHBondContact O-N 3.06Å; S176-G178 VanDerWaalsContact C-N 3.31Å
179V98.5Very high98.3Very high4 Ų425.1 Ų25.12%0.02416%0.158CC..  trans-65.2146.4170.2-63.40000110.8L143 T147 V154 I174 I182 I211L143-V179 HydrophobicContact CB-CG1 4.17Å; L143-V179 HydrophobicContact CD1-CG1 3.92Å; L143-V179 HydrophobicContact CD2-CG1 3.89Å; L143-V179 HydrophobicContact CG-CG1 4.23Å; T147-V179 HydrophobicContact CG2-CG1 4.12Å; V154-V179 HydrophobicContact CG1-CG1 4.27Å; V154-V179 CarbonylContact O-C 3.38Å; V154-V179 VanDerWaalsContact O-CA 3.3Å; V154-V179 WeakPolarHBondContact O-CA 3.46Å; V154-V179 WeakPolarHBondContact O-CB 3.45Å; I174-V179 HydrophobicContact CG2-CG1 4.41Å; I174-V179 HydrophobicContact CG2-CG2 3.39Å; V179-I182 HydrophobicContact CG2-CG1 4.18Å; V179-I211 HydrophobicContact CG2-CD1 3.57Å
180A98.3Very high98.1Very high30 Ų3028.7 Ų28.725%0.24817%0.169CC..SBendtrans-79.2-24.9-176.600000113.6F10 P153 V154 T155 P212F10-A180 HydrophobicContact CD1-CB 3.87Å; F10-A180 HydrophobicContact CE1-CB 4.03Å; P153-A180 HydrophobicContact CB-CB 3.85Å; V154-A180 PolarHBondContact O-N 3.27Å; T155-A180 HydrophobicContact CG2-CB 4.4Å; A180-P212 WeakPolarHBondContact O-CD 3.44Å
181A98.7Very high97.9Very high0 Ų029.5 Ų29.50%017%0.173CC..EExtended strand (participates in β ladder)trans-162.1156.217500000112.1F10 T155 C156 P212 L214F10-A181 HydrophobicContact CE1-CB 3.88Å; F10-A181 HydrophobicContact CZ-CB 4.01Å; T155-A181 WeakPolarHBondContact CA-O 3.27Å; T155-A181 WeakPolarHBondContact CB-O 3.14Å; T155-A181 HydrophobicContact CG2-CB 3.93Å; C156-A181 PolarHBondContact N-O 3.45Å; A181-P212 CarbonylContact C-O 3.59Å; A181-P212 VanDerWaalsContact CA-O 3.25Å; A181-P212 WeakPolarHBondContact CA-O 3.4Å; A181-P212 HydrophobicContact CB-CB 4.12Å; A181-P212 WeakPolarHBondContact CB-O 3.35Å; A181-L214 HydrophobicContact CB-CD1 4.28Å; A181-L214 HydrophobicContact CB-CG 4.3Å
182I98.8Very high97.4Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-118.9117.6172.9-48.9179.1000109.8I158 A171 I174 V179 V184 I211 P212 V213 L214I158-I182 HydrophobicContact CD1-CG2 4.25Å; I158-I182 HydrophobicContact CG1-CG2 4.1Å; A171-I182 HydrophobicContact CB-CD1 4.33Å; I174-I182 HydrophobicContact CB-CD1 3.86Å; I174-I182 HydrophobicContact CG2-CD1 3.39Å; I174-I182 HydrophobicContact CG2-CG1 3.6Å; V179-I182 HydrophobicContact CG2-CG1 4.18Å; I182-V184 HydrophobicContact CG2-CG2 3.99Å; I182-I211 HydrophobicContact CD1-CD1 3.75Å; I182-I211 HydrophobicContact CD1-CG1 4.41Å; I182-I211 HydrophobicContact CG1-CD1 3.58Å; I182-I211 HydrophobicContact CG1-CG1 4.41Å; I182-P212 PolarHBondContact N-O 3.11Å; I182-V213 CarbonylContact O-C 3.59Å; I182-V213 WeakPolarHBondContact O-CA 3.33Å; I182-L214 PolarHBondContact O-N 3.16Å
183T98.9Very high96.9Very high0 Ų032.7 Ų32.70%019%0.19CC..EExtended strand (participates in β ladder)trans-80120.6166-590000110.1C156 K157 I158 L214 N216 V242C156-T183 PolarHBondContact O-N 2.59Å; K157-T183 CarbonylContact C-O 3.4Å; K157-T183 WeakPolarHBondContact CA-O 3.48Å; K157-T183 HydrophobicContact CB-CG2 4.48Å; K157-T183 HydrophobicContact CD-CG2 4.21Å; K157-T183 HydrophobicContact CG-CG2 3.88Å; I158-T183 PolarHBondContact N-O 3.48Å; T183-L214 CarbonylContact C-O 3.53Å; T183-L214 WeakPolarHBondContact CA-O 3.36Å; T183-N216 HydrophobicContact CG2-CB 3.74Å; T183-V242 HydrophobicContact CG2-CB 4.07Å; T183-V242 HydrophobicContact CG2-CG1 4.42Å; T183-V242 HydrophobicContact CG2-CG2 3.64Å
184V98.9Very high96.3Very high0 Ų034.2 Ų34.20%020%0.2CC..EExtended strand (participates in β ladder)trans-109.6115.3177.1-176.30000109.7I158 I160 I182 I202 I205 V213 L214 N216I158-V184 HydrophobicContact CD1-CG2 4.2Å; I158-V184 HydrophobicContact CG1-CG1 4.5Å; I158-V184 HydrophobicContact CG1-CG2 4.09Å; I160-V184 HydrophobicContact CG2-CG1 3.79Å; I182-V184 HydrophobicContact CG2-CG2 3.99Å; V184-I202 HydrophobicContact CB-CG1 4.41Å; V184-I202 HydrophobicContact CB-CG2 4.4Å; V184-I202 HydrophobicContact CG1-CG1 3.97Å; V184-I205 HydrophobicContact CG1-CD1 3.78Å; V184-I205 HydrophobicContact CG2-CD1 4.29Å; V184-I205 HydrophobicContact CG2-CG2 4.26Å; V184-V213 HydrophobicContact CB-CG1 4.4Å; V184-V213 HydrophobicContact CG2-CG1 3.9Å; V184-L214 PolarHBondContact N-O 3.03Å; V184-N216 PolarHBondContact O-N 3.34Å
185H98.6Very high96Very high19 Ų1937.9 Ų37.99%0.08822%0.217CC..EExtended strand (participates in β ladder)trans-87.9113.5166-171.8-173.6000109.1I158 R159 I160 R187 N197 N216 G217I158-H185 PolarHBondContact O-N 2.61Å; R159-H185 HydrophobicContact CG-CB 4.28Å; I160-H185 PolarHBondContact N-O 2.88Å; H185-R187 PolarHBondContact NE2-NH1 3Å; H185-R187 PolarHBondContact O-N 3.5Å; H185-N197 PolarHBondContact CD2-OD1 3.2Å; H185-N216 HydrophobicContact CB-CB 4.2Å; H185-N216 WeakPolarHBondContact CB-OD1 3.46Å; H185-N216 PolarHBondContact CD2-O 2.81Å; H185-G217 VanDerWaalsContact CD2-CA 3.5Å; H185-G217 WeakPolarHBondContact CD2-CA 3.45Å
186G98.1Very high95.7Very high0 Ų041.4 Ų41.40%023%0.228CC..SBendtrans-67.122-177.400000116.3I160 N197 R198 N216I160-G186 WeakPolarHBondContact CD1-O 3.49Å; G186-N197 VanDerWaalsContact CA-OD1 3.32Å; G186-N197 WeakPolarHBondContact CA-OD1 3.21Å; G186-N197 PolarHBondContact N-OD1 2.89Å; G186-R198 PolarHBondContact O-N 3.24Å; G186-N216 PolarHBondContact N-O 3.02Å
187R97.7Very high95.6Very high3 Ų337.6 Ų37.61%0.01120%0.201CC..SBendtrans-119.6143.6173.7-69.1-178-177.896.212.1110.1R159 H185 E191 R192 P193 H195 G217 D221R159-R187 VanDerWaalsContact CB-O 3.25Å; R159-R187 WeakPolarHBondContact CB-O 3.48Å; R159-R187 WeakPolarHBondContact CG-O 3.45Å; H185-R187 PolarHBondContact NE2-NH1 3Å; H185-R187 PolarHBondContact O-N 3.5Å; R187-E191 WeakPolarHBondContact CA-OE2 3.46Å; R187-E191 HydrophobicContact CB-CB 3.94Å; R187-E191 HydrophobicContact CG-CB 4.37Å; R187-R192 WeakPolarHBondContact CD-O 3.47Å; R187-R192 PolarHBondContact NE-O 2.86Å; R187-P193 PolarHBondContact NH2-O 3.14Å; R187-H195 VanDerWaalsContact CZ-O 3.3Å; R187-H195 PolarHBondContact NE-O 3.17Å; R187-H195 PolarHBondContact NH2-O 3.45Å; R187-G217 PolarHBondContact NH1-O 3.43Å; R187-G217 PolarHBondContact NH2-O 3.48Å; R187-D221 IonicContact NH2-OD2 3.69Å; R187-D221 PolarHBondContact NH2-OD2 3Å; R187-D221 VanDerWaalsContact NH2-OD2 3.11Å
188T97.1Very high95.6Very high17 Ų1741.1 Ų41.110%0.10421%0.214CC..  trans-70.217017269.50000111.6R159 I160 N190 E191R159-T188 PolarHBondContact NH1-O 3.3Å; I160-T188 HydrophobicContact CD1-CG2 4.36Å; I160-T188 HydrophobicContact CG1-CG2 4.06Å; I160-T188 WeakPolarHBondContact O-CA 3.31Å; T188-N190 VanDerWaalsContact C-N 3.25Å; T188-N190 PolarHBondContact O-N 2.8Å; T188-E191 PolarHBondContact N-OE2 3.02Å; T188-E191 PolarHBondContact O-N 3.38Å; T188-E191 VanDerWaalsContact OG1-CD 3.24Å; T188-E191 VanDerWaalsContact OG1-CG 3.29Å; T188-E191 WeakPolarHBondContact OG1-CG 3.17Å; T188-E191 PolarHBondContact OG1-OE2 2.62Å
189I94.3Very high95.6Very high44 Ų4439.5 Ų39.523%0.22619%0.192CC..SBendtrans-57-38.2-179.3-57.7171.2000112P119 A130 L133 R192P119-I189 HydrophobicContact CB-CG2 3.6Å; A130-I189 HydrophobicContact CB-CD1 3.91Å; A130-I189 HydrophobicContact CB-CG1 3.95Å; A130-I189 HydrophobicContact CB-CG2 4.11Å; L133-I189 HydrophobicContact CD1-CD1 3.78Å; L133-I189 HydrophobicContact CD1-CG1 3.8Å; I189-R192 PolarHBondContact O-NH1 2.72Å
190N93.7Very high95.6Very high133 Ų13342.9 Ų42.971%0.71121%0.208SC*.SBendtrans-83.1-22.9-176-65.8-28.9000112.7T188 R192T188-N190 VanDerWaalsContact C-N 3.25Å; T188-N190 PolarHBondContact O-N 2.8Å; N190-R192 PolarHBondContact O-NH1 3.39Å; N190-R192 VanDerWaalsContact O-NH1 3.14Å
191E94.4Very high95.6Very high26 Ų2642.3 Ų42.312%0.12120%0.201CC..  trans-71.4150.9178.3-74.8165.8-179.800112R159 R187 T188 H195 R198R159-E191 PolarHBondContact NH1-O 2.8Å; R159-E191 VanDerWaalsContact NH1-O 3.1Å; R187-E191 WeakPolarHBondContact CA-OE2 3.46Å; R187-E191 HydrophobicContact CB-CB 3.94Å; R187-E191 HydrophobicContact CG-CB 4.37Å; T188-E191 PolarHBondContact N-OE2 3.02Å; T188-E191 PolarHBondContact O-N 3.38Å; T188-E191 VanDerWaalsContact OG1-CD 3.24Å; T188-E191 VanDerWaalsContact OG1-CG 3.29Å; T188-E191 WeakPolarHBondContact OG1-CG 3.17Å; T188-E191 PolarHBondContact OG1-OE2 2.62Å; E191-H195 HydrophobicContact CB-CB 3.95Å; E191-H195 HydrophobicContact CG-CB 4.01Å; E191-R198 IonicContact OE1-CZ 3.7Å; E191-R198 IonicContact OE1-NE 2.85Å; E191-R198 IonicContact OE1-NH2 2.87Å; E191-R198 PolarHBondContact OE1-NH2 3.09Å
192R89.6Confident95.6Very high115 Ų11542.3 Ų42.343%0.43420%0.201SC..  trans-123.9167.8-172.5-62.6-63.9173.4-101.8-0.3110.5R187 I189 N190 V194 H195R187-R192 WeakPolarHBondContact CD-O 3.47Å; R187-R192 PolarHBondContact NE-O 2.86Å; I189-R192 PolarHBondContact O-NH1 2.72Å; N190-R192 PolarHBondContact O-NH1 3.39Å; N190-R192 VanDerWaalsContact O-NH1 3.14Å; R192-V194 PolarHBondContact O-N 2.92Å; R192-H195 WeakPolarHBondContact CB-ND1 3.3Å; R192-H195 PolarHBondContact N-ND1 2.76Å; R192-H195 WeakPolarHBondContact O-CB 3.44Å; R192-H195 PolarHBondContact O-N 2.96Å; R192-H195 PolarHBondContact O-ND1 2.86Å
193P87.2Confident95.6Very high59 Ų5945.7 Ų45.738%0.38322%0.217SC..THydrogen-bonded Turntrans-34.6-40.3173.4-46.745.2000119.5R187 R245R187-P193 PolarHBondContact NH2-O 3.14Å; P193-R245 VanDerWaalsContact CA-NH2 3.3Å; P193-R245 VanDerWaalsContact CB-CZ 3.42Å; P193-R245 PolarHBondContact O-NH2 3.46Å
194V86.2Confident95.6Very high65 Ų6548 Ų4839%0.39423%0.231SC..THydrogen-bonded Turntrans-80-15-178.4-62.50000113.9R192 I500R192-V194 PolarHBondContact O-N 2.92Å; V194-I500 HydrophobicContact CB-CD1 3.97Å; V194-I500 HydrophobicContact CG1-CD1 3.92Å
195H92.6Very high95.6Very high77 Ų7748 Ų4836%0.35623%0.231SC..SBendtrans-81146.5178.4-58.768.8000108.9R187 E191 R192R187-H195 VanDerWaalsContact CZ-O 3.3Å; R187-H195 PolarHBondContact NE-O 3.17Å; R187-H195 PolarHBondContact NH2-O 3.45Å; E191-H195 HydrophobicContact CB-CB 3.95Å; E191-H195 HydrophobicContact CG-CB 4.01Å; R192-H195 WeakPolarHBondContact CB-ND1 3.3Å; R192-H195 PolarHBondContact N-ND1 2.76Å; R192-H195 WeakPolarHBondContact O-CB 3.44Å; R192-H195 PolarHBondContact O-N 2.96Å; R192-H195 PolarHBondContact O-ND1 2.86Å
196R93.5Very high95.6Very high133 Ų13348 Ų4850%0.50224%0.235SC..PPolyproline II helixtrans-52.3137.1176178.7175.7173.5-87.3-8.4112E200R196-E200 IonicContact CZ-OE1 3.42Å; R196-E200 IonicContact CZ-OE2 3.53Å; R196-E200 IonicContact NH1-OE1 2.76Å; R196-E200 PolarHBondContact NH1-OE1 2.99Å; R196-E200 IonicContact NH1-OE2 3.59Å; R196-E200 IonicContact NH2-OE1 3.16Å; R196-E200 PolarHBondContact NH2-OE1 2.81Å; R196-E200 VanDerWaalsContact NH2-OE1 3.16Å; R196-E200 IonicContact NH2-OE2 2.7Å; R196-E200 PolarHBondContact NH2-OE2 2.74Å
197N96.8Very high95.6Very high3 Ų353.6 Ų53.62%0.01626%0.264CS..PPolyproline II helixtrans-83.5125.5166.3-161.365.7000109.5H185 G186 N199 N216H185-N197 PolarHBondContact CD2-OD1 3.2Å; G186-N197 VanDerWaalsContact CA-OD1 3.32Å; G186-N197 WeakPolarHBondContact CA-OD1 3.21Å; G186-N197 PolarHBondContact N-OD1 2.89Å; N197-N199 VanDerWaalsContact C-N 3.35Å; N197-N199 PolarHBondContact ND2-OD1 2.91Å; N197-N199 PolarHBondContact O-N 3.47Å; N197-N199 PolarHBondContact O-OD1 2.71Å; N197-N216 PolarHBondContact ND2-O 3.17Å; N197-N216 PolarHBondContact OD1-O 3.03Å
198R97.7Very high95.7Very high80 Ų8055.3 Ų55.330%0.30228%0.277SS..  trans-83.178.1-179.1-53.9-171.6-162.7-161.5-1.9110.6I160 G186 E191 E200 V201 I202I160-R198 HydrophobicContact CD1-CB 3.97Å; I160-R198 HydrophobicContact CD1-CG 3.99Å; G186-R198 PolarHBondContact O-N 3.24Å; E191-R198 IonicContact OE1-CZ 3.7Å; E191-R198 IonicContact OE1-NE 2.85Å; E191-R198 IonicContact OE1-NH2 2.87Å; E191-R198 PolarHBondContact OE1-NH2 3.09Å; R198-E200 VanDerWaalsContact C-OE2 3.3Å; R198-E200 WeakPolarHBondContact CA-OE2 3.24Å; R198-E200 PolarHBondContact O-N 3.12Å; R198-V201 HydrophobicContact CB-CB 4.06Å; R198-V201 HydrophobicContact CB-CG2 3.75Å; R198-V201 WeakPolarHBondContact O-CB 3.08Å; R198-V201 PolarHBondContact O-N 3.31Å; R198-V201 VanDerWaalsContact O-N 3.1Å; R198-I202 PolarHBondContact O-N 3.37Å
199N98.3Very high95.8Very high22 Ų2255.2 Ų55.212%0.11828%0.276CS..Hα-helixtrans-61.6-35.1-177-56.6-28000112.1N197 V201 I202 Q203 I222 F232 L235 T236N197-N199 VanDerWaalsContact C-N 3.35Å; N197-N199 PolarHBondContact ND2-OD1 2.91Å; N197-N199 PolarHBondContact O-N 3.47Å; N197-N199 PolarHBondContact O-OD1 2.71Å; N199-V201 PolarHBondContact O-N 3.02Å; N199-I202 WeakPolarHBondContact O-CB 3.38Å; N199-I202 PolarHBondContact O-N 3.16Å; N199-I202 VanDerWaalsContact O-N 3.14Å; N199-Q203 PolarHBondContact O-N 2.82Å; N199-I222 VanDerWaalsContact ND2-CD1 3.33Å; N199-I222 WeakPolarHBondContact ND2-CD1 3.48Å; N199-F232 WeakPolarHBondContact OD1-CE2 3.35Å; N199-L235 HydrophobicContact CB-CD2 4.26Å; N199-L235 HydrophobicContact CB-CG 4.3Å; N199-L235 WeakPolarHBondContact ND2-CD2 3.42Å; N199-T236 HydrophobicContact CB-CG2 3.82Å
200E98.2Very high95.9Very high75 Ų7556.6 Ų56.635%0.3530%0.301SS..Hα-helixtrans-60.1-33.1174.768.4-76.1-174.600112.7R196 R198 T204R196-E200 IonicContact CZ-OE1 3.42Å; R196-E200 IonicContact CZ-OE2 3.53Å; R196-E200 IonicContact NH1-OE1 2.76Å; R196-E200 PolarHBondContact NH1-OE1 2.99Å; R196-E200 IonicContact NH1-OE2 3.59Å; R196-E200 IonicContact NH2-OE1 3.16Å; R196-E200 PolarHBondContact NH2-OE1 2.81Å; R196-E200 VanDerWaalsContact NH2-OE1 3.16Å; R196-E200 IonicContact NH2-OE2 2.7Å; R196-E200 PolarHBondContact NH2-OE2 2.74Å; R198-E200 VanDerWaalsContact C-OE2 3.3Å; R198-E200 WeakPolarHBondContact CA-OE2 3.24Å; R198-E200 PolarHBondContact O-N 3.12Å; E200-T204 WeakPolarHBondContact O-CB 3.38Å; E200-T204 PolarHBondContact O-N 3.07Å; E200-T204 PolarHBondContact O-OG1 2.93Å
201V98.7Very high96.1Very high17 Ų1751.8 Ų51.810%0.10328%0.275CS..Hα-helixtrans-73-41.9175.8176.30000109.9I160 L164 R198 N199 Q203 T204 I205I160-V201 HydrophobicContact CB-CG1 4.2Å; I160-V201 HydrophobicContact CD1-CB 4.5Å; I160-V201 HydrophobicContact CD1-CG1 4.32Å; I160-V201 HydrophobicContact CG2-CG1 3.64Å; L164-V201 HydrophobicContact CD1-CB 4.5Å; L164-V201 HydrophobicContact CD1-CG1 3.85Å; L164-V201 HydrophobicContact CD1-CG2 4.39Å; R198-V201 HydrophobicContact CB-CB 4.06Å; R198-V201 HydrophobicContact CB-CG2 3.75Å; R198-V201 WeakPolarHBondContact O-CB 3.08Å; R198-V201 PolarHBondContact O-N 3.31Å; R198-V201 VanDerWaalsContact O-N 3.1Å; N199-V201 PolarHBondContact O-N 3.02Å; V201-Q203 VanDerWaalsContact C-N 3.32Å; V201-Q203 PolarHBondContact O-N 2.87Å; V201-T204 PolarHBondContact O-N 2.76Å; V201-I205 HydrophobicContact CG1-CD1 3.93Å; V201-I205 WeakPolarHBondContact O-CD1 3.48Å; V201-I205 VanDerWaalsContact O-CG1 3.25Å; V201-I205 WeakPolarHBondContact O-CG1 3.44Å; V201-I205 PolarHBondContact O-N 3.02Å
202I98.8Very high96.3Very high0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-59.5-46174.3-56176.2000110V184 R198 N199 T204 I205 A206 V213 A215 F232 T236V184-I202 HydrophobicContact CB-CG1 4.41Å; V184-I202 HydrophobicContact CB-CG2 4.4Å; V184-I202 HydrophobicContact CG1-CG1 3.97Å; R198-I202 PolarHBondContact O-N 3.37Å; N199-I202 WeakPolarHBondContact O-CB 3.38Å; N199-I202 PolarHBondContact O-N 3.16Å; N199-I202 VanDerWaalsContact O-N 3.14Å; I202-T204 PolarHBondContact O-N 3.12Å; I202-I205 PolarHBondContact O-N 2.94Å; I202-A206 WeakPolarHBondContact O-CB 3.45Å; I202-A206 PolarHBondContact O-N 3.17Å; I202-V213 HydrophobicContact CG2-CG1 4.06Å; I202-A215 HydrophobicContact CD1-CB 4.43Å; I202-A215 HydrophobicContact CG2-CB 4.12Å; I202-F232 HydrophobicContact CD1-CZ 4.47Å; I202-T236 HydrophobicContact CB-CG2 4.03Å; I202-T236 HydrophobicContact CD1-CG2 4.13Å; I202-T236 HydrophobicContact CG2-CG2 4.11Å
203Q98.8Very high96.8Very high72 Ų7247.2 Ų47.234%0.33626%0.262SS..Hα-helixtrans-58.3-46.3175.8179.9176.851.700112.6N199 V201 I205 A206 N207 T236 S237N199-Q203 PolarHBondContact O-N 2.82Å; V201-Q203 VanDerWaalsContact C-N 3.32Å; V201-Q203 PolarHBondContact O-N 2.87Å; Q203-I205 VanDerWaalsContact C-N 3.28Å; Q203-I205 PolarHBondContact O-N 3.47Å; Q203-A206 PolarHBondContact O-N 3.26Å; Q203-N207 PolarHBondContact O-N 3.28Å; Q203-N207 PolarHBondContact O-ND2 3.47Å; Q203-T236 WeakPolarHBondContact CA-O 3.38Å; Q203-T236 PolarHBondContact N-O 2.92Å; Q203-S237 PolarHBondContact NE2-OG 3.41Å
204T98.8Very high97.3Very high49 Ų4944.5 Ų44.530%0.30125%0.245SC..Hα-helixtrans-61.1-40.7178.2-55.70000111.2L164 I168 E200 V201 I202 N207 S208L164-T204 HydrophobicContact CD1-CG2 4.23Å; L164-T204 HydrophobicContact CD2-CG2 4.33Å; I168-T204 HydrophobicContact CD1-CG2 3.79Å; E200-T204 WeakPolarHBondContact O-CB 3.38Å; E200-T204 PolarHBondContact O-N 3.07Å; E200-T204 PolarHBondContact O-OG1 2.93Å; V201-T204 PolarHBondContact O-N 2.76Å; I202-T204 PolarHBondContact O-N 3.12Å; T204-N207 PolarHBondContact O-N 3.07Å; T204-S208 VanDerWaalsContact O-CB 3.31Å; T204-S208 WeakPolarHBondContact O-CB 3.35Å; T204-S208 PolarHBondContact O-N 3.43Å; T204-S208 PolarHBondContact O-OG 3.34Å
205I98.7Very high97.9Very high0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-65.7-46.6176.3-63.6157.4000110.6I160 T167 A171 V184 V201 I202 Q203 N207 S208 V209 V213I160-I205 HydrophobicContact CG2-CD1 4.35Å; T167-I205 HydrophobicContact CG2-CD1 3.53Å; T167-I205 HydrophobicContact CG2-CG1 4.24Å; A171-I205 HydrophobicContact CB-CG2 3.68Å; V184-I205 HydrophobicContact CG1-CD1 3.78Å; V184-I205 HydrophobicContact CG2-CD1 4.29Å; V184-I205 HydrophobicContact CG2-CG2 4.26Å; V201-I205 HydrophobicContact CG1-CD1 3.93Å; V201-I205 WeakPolarHBondContact O-CD1 3.48Å; V201-I205 VanDerWaalsContact O-CG1 3.25Å; V201-I205 WeakPolarHBondContact O-CG1 3.44Å; V201-I205 PolarHBondContact O-N 3.02Å; I202-I205 PolarHBondContact O-N 2.94Å; Q203-I205 VanDerWaalsContact C-N 3.28Å; Q203-I205 PolarHBondContact O-N 3.47Å; I205-N207 PolarHBondContact O-N 2.97Å; I205-S208 WeakPolarHBondContact O-CB 3.41Å; I205-S208 PolarHBondContact O-N 2.85Å; I205-V209 PolarHBondContact O-N 3.44Å; I205-V213 HydrophobicContact CG2-CG2 4.16Å
206A98.7Very high98.2Very high19 Ų1938.1 Ų38.116%0.15721%0.211CC..Hα-helixtrans-56.7-36.3178.100000112.6I202 Q203 S208 V213I202-A206 WeakPolarHBondContact O-CB 3.45Å; I202-A206 PolarHBondContact O-N 3.17Å; Q203-A206 PolarHBondContact O-N 3.26Å; A206-S208 VanDerWaalsContact C-N 3.32Å; A206-V213 HydrophobicContact CB-CB 3.98Å; A206-V213 HydrophobicContact CB-CG1 4.26Å; A206-V213 HydrophobicContact CB-CG2 4.25Å
207N98.7Very high98.4Very high117 Ų11732 Ų3263%0.62619%0.189SC*.THydrogen-bonded Turntrans-81.2-8.8175.9-65.3-24.8000113.9Q203 T204 I205Q203-N207 PolarHBondContact O-N 3.28Å; Q203-N207 PolarHBondContact O-ND2 3.47Å; T204-N207 PolarHBondContact O-N 3.07Å; I205-N207 PolarHBondContact O-N 2.97Å
208S98.6Very high98.4Very high38 Ų3831.9 Ų31.927%0.26619%0.188SC..THydrogen-bonded Turntrans-103.3-12-173.7-65.50000114.5K172 T204 I205 A206K172-S208 VanDerWaalsContact CE-O 3.23Å; K172-S208 WeakPolarHBondContact CE-O 3.32Å; T204-S208 VanDerWaalsContact O-CB 3.31Å; T204-S208 WeakPolarHBondContact O-CB 3.35Å; T204-S208 PolarHBondContact O-N 3.43Å; T204-S208 PolarHBondContact O-OG 3.34Å; I205-S208 WeakPolarHBondContact O-CB 3.41Å; I205-S208 PolarHBondContact O-N 2.85Å; A206-S208 VanDerWaalsContact C-N 3.32Å
209V98.6Very high98.3Very high16 Ų1629 Ų2910%0.09718%0.18CC..  trans-128.2151.3179.4-59.30000109.9A171 K172 E175 I205 I211 V213A171-V209 HydrophobicContact CB-CG1 3.96Å; K172-V209 HydrophobicContact CG-CG1 4.08Å; E175-V209 HydrophobicContact CB-CG1 4.45Å; I205-V209 PolarHBondContact O-N 3.44Å; V209-I211 HydrophobicContact CB-CG1 4.37Å; V209-I211 HydrophobicContact CG2-CG1 4.14Å; V209-V213 HydrophobicContact CG2-CG2 3.69Å
210G97.8Very high97.7Very high72 Ų7232 Ų3274%0.74219%0.194SC*.SBendtrans-88.3-4.5179.400000114.9E175E175-G210 WeakPolarHBondContact OE1-CA 3.2Å; E175-G210 PolarHBondContact OE1-N 2.97Å
211I98.2Very high97.1Very high33 Ų3331.5 Ų31.517%0.16919%0.193CC..SBendtrans-97.1153.5176.657.2166.9000112.4E175 V179 I182 V209 V213E175-I211 HydrophobicContact CB-CD1 3.95Å; E175-I211 HydrophobicContact CB-CG1 4.1Å; E175-I211 HydrophobicContact CG-CD1 4.36Å; E175-I211 HydrophobicContact CG-CG1 4.14Å; E175-I211 HydrophobicContact CG-CG2 4.21Å; V179-I211 HydrophobicContact CG2-CD1 3.57Å; I182-I211 HydrophobicContact CD1-CD1 3.75Å; I182-I211 HydrophobicContact CD1-CG1 4.41Å; I182-I211 HydrophobicContact CG1-CD1 3.58Å; I182-I211 HydrophobicContact CG1-CG1 4.41Å; V209-I211 HydrophobicContact CB-CG1 4.37Å; V209-I211 HydrophobicContact CG2-CG1 4.14Å; I211-V213 PolarHBondContact O-N 2.94Å
212P98.7Very high96.8Very high41 Ų4131.8 Ų31.827%0.26619%0.194SC..PPolyproline II helixtrans-53.3122.6177.9-28.334.6000113.8A12 A180 A181 I182 A239A12-P212 HydrophobicContact CB-CB 3.65Å; A12-P212 HydrophobicContact CB-CG 4.14Å; A180-P212 WeakPolarHBondContact O-CD 3.44Å; A181-P212 CarbonylContact C-O 3.59Å; A181-P212 VanDerWaalsContact CA-O 3.25Å; A181-P212 WeakPolarHBondContact CA-O 3.4Å; A181-P212 HydrophobicContact CB-CB 4.12Å; A181-P212 WeakPolarHBondContact CB-O 3.35Å; I182-P212 PolarHBondContact N-O 3.11Å; P212-A239 HydrophobicContact CB-CB 3.69Å
213V98.9Very high96.7Very high4 Ų432 Ų322%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-96.1129.2168.4172.80000109.3I182 V184 I202 I205 A206 V209 I211 A238 A239I182-V213 CarbonylContact O-C 3.59Å; I182-V213 WeakPolarHBondContact O-CA 3.33Å; V184-V213 HydrophobicContact CB-CG1 4.4Å; V184-V213 HydrophobicContact CG2-CG1 3.9Å; I202-V213 HydrophobicContact CG2-CG1 4.06Å; I205-V213 HydrophobicContact CG2-CG2 4.16Å; A206-V213 HydrophobicContact CB-CB 3.98Å; A206-V213 HydrophobicContact CB-CG1 4.26Å; A206-V213 HydrophobicContact CB-CG2 4.25Å; V209-V213 HydrophobicContact CG2-CG2 3.69Å; I211-V213 PolarHBondContact O-N 2.94Å; V213-A238 CarbonylContact O-C 3.45Å; V213-A238 WeakPolarHBondContact O-CA 3.38Å; V213-A238 WeakPolarHBondContact O-CB 3.48Å; V213-A239 PolarHBondContact O-N 3.47Å
214L98.9Very high96.3Very high2 Ų238.2 Ų38.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-104.1122.6175.8-48177.7000110.1A12 F17 A181 I182 T183 V184 G240 V242A12-L214 HydrophobicContact CB-CD2 3.74Å; F17-L214 HydrophobicContact CD1-CD1 4.4Å; F17-L214 HydrophobicContact CD2-CD1 4.22Å; F17-L214 HydrophobicContact CE1-CD1 4.14Å; F17-L214 HydrophobicContact CE2-CD1 3.94Å; F17-L214 HydrophobicContact CE2-CD2 3.92Å; F17-L214 HydrophobicContact CG-CD1 4.48Å; F17-L214 HydrophobicContact CZ-CD1 3.92Å; F17-L214 HydrophobicContact CZ-CD2 4.37Å; A181-L214 HydrophobicContact CB-CD1 4.28Å; A181-L214 HydrophobicContact CB-CG 4.3Å; I182-L214 PolarHBondContact O-N 3.16Å; T183-L214 CarbonylContact C-O 3.53Å; T183-L214 WeakPolarHBondContact CA-O 3.36Å; V184-L214 PolarHBondContact N-O 3.03Å; L214-G240 CarbonylContact C-O 3.57Å; L214-G240 WeakPolarHBondContact CA-O 3.48Å; L214-V242 HydrophobicContact CB-CG2 3.63Å; L214-V242 HydrophobicContact CD1-CG2 3.99Å; L214-V242 HydrophobicContact CG-CG2 4.44Å
215A98.9Very high96Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-78.9130-178.700000111.5I202 F232 T236 A238 G240 V242I202-A215 HydrophobicContact CD1-CB 4.43Å; I202-A215 HydrophobicContact CG2-CB 4.12Å; A215-F232 HydrophobicContact CB-CD1 4.21Å; A215-F232 HydrophobicContact CB-CE1 3.59Å; A215-F232 HydrophobicContact CB-CE2 4.45Å; A215-F232 HydrophobicContact CB-CZ 3.73Å; A215-T236 HydrophobicContact CB-CG2 4.08Å; A215-T236 VanDerWaalsContact CB-OG1 3.25Å; A215-T236 WeakPolarHBondContact CB-OG1 3.44Å; A215-A238 HydrophobicContact CB-CB 3.64Å; A215-G240 PolarHBondContact N-O 3.01Å; A215-V242 PolarHBondContact O-N 3.29Å
216N98.6Very high95.8Very high7 Ų741.2 Ų41.24%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-128.2152.7174.2-175.9-120.8000111.3K157 T183 V184 H185 G186 N197 V242K157-N216 WeakPolarHBondContact CE-OD1 3.42Å; T183-N216 HydrophobicContact CG2-CB 3.74Å; V184-N216 PolarHBondContact O-N 3.34Å; H185-N216 HydrophobicContact CB-CB 4.2Å; H185-N216 WeakPolarHBondContact CB-OD1 3.46Å; H185-N216 PolarHBondContact CD2-O 2.81Å; G186-N216 PolarHBondContact N-O 3.02Å; N197-N216 PolarHBondContact ND2-O 3.17Å; N197-N216 PolarHBondContact OD1-O 3.03Å; N216-V242 HydrophobicContact CB-CB 4.2Å; N216-V242 PolarHBondContact ND2-O 3.27Å
217G97.5Very high95.5Very high5 Ų544.7 Ų44.75%0.05224%0.241CC..  trans112.7-9.4171.800000116H185 R187 S219H185-G217 VanDerWaalsContact CD2-CA 3.5Å; H185-G217 WeakPolarHBondContact CD2-CA 3.45Å; R187-G217 PolarHBondContact NH1-O 3.43Å; R187-G217 PolarHBondContact NH2-O 3.48Å; G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.35Å
218G96.2Very high95.4Very high0 Ų040.9 Ų40.90%022%0.221CC..THydrogen-bonded Turntrans-71.6-8-175.300000116.9H220 D221 I222 I223G218-H220 PolarHBondContact O-N 2.85Å; G218-D221 PolarHBondContact O-N 2.93Å; G218-I222 PolarHBondContact O-N 3.38Å; G218-I223 PolarHBondContact O-N 3.49Å
219S94.8Very high95.3Very high19 Ų1939.4 Ų39.413%0.13321%0.21CC..THydrogen-bonded Turntrans-63.5-7.9-173.8-55.20000117.1G217 A244 R245 A246G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.35Å; S219-A244 PolarHBondContact OG-N 2.87Å; S219-R245 PolarHBondContact OG-N 3.24Å; S219-A246 PolarHBondContact OG-N 3.17Å
220H87.5Confident95.3Very high86 Ų8642.1 Ų42.140%0.39822%0.221SC..THydrogen-bonded Turntrans-104.7-43.9178.4-175.6-95.9000111.3G218G218-H220 PolarHBondContact O-N 2.85Å
221D84.8Confident95.2Very high64 Ų6444.9 Ų44.934%0.34221%0.21SC..THydrogen-bonded Turntrans-101.1-22.5-166.6-47.4-48.8000112.3R187 G218R187-D221 IonicContact NH2-OD2 3.69Å; R187-D221 PolarHBondContact NH2-OD2 3Å; R187-D221 VanDerWaalsContact NH2-OD2 3.11Å; G218-D221 PolarHBondContact O-N 2.93Å
222I92.6Very high95.3Very high23 Ų2343.3 Ų43.312%0.11820%0.202CC..THydrogen-bonded Turntrans-128.1-58.6-166-55.6168.1000111.4N199 G218 R224 D228 Y231 F232 L235N199-I222 VanDerWaalsContact ND2-CD1 3.33Å; N199-I222 WeakPolarHBondContact ND2-CD1 3.48Å; G218-I222 PolarHBondContact O-N 3.38Å; I222-R224 PolarHBondContact O-N 3.47Å; I222-R224 VanDerWaalsContact O-N 3.15Å; I222-D228 WeakPolarHBondContact O-CB 3.48Å; I222-Y231 HydrophobicContact CG2-CD1 3.75Å; I222-Y231 HydrophobicContact CG2-CE1 4.05Å; I222-F232 HydrophobicContact CD1-CD2 3.46Å; I222-F232 VanDerWaalsContact CD1-CD2 3.46Å; I222-F232 HydrophobicContact CD1-CE2 3.77Å; I222-F232 HydrophobicContact CD1-CG 4.39Å; I222-F232 HydrophobicContact CG2-CB 3.9Å; I222-F232 HydrophobicContact CG2-CD2 4.38Å; I222-F232 HydrophobicContact CG2-CG 4.4Å; I222-L235 HydrophobicContact CD1-CD2 4.13Å
223I95.5Very high95.3Very high5 Ų544.1 Ų44.13%0.02620%0.2CC..  trans-82.4100.2-170.7-54.7171.8000109.9G218 I229 F232 V241 I243 A246 I253G218-I223 PolarHBondContact O-N 3.49Å; I223-I229 HydrophobicContact CG2-CG1 3.96Å; I223-F232 HydrophobicContact CD1-CD1 3.79Å; I223-F232 HydrophobicContact CD1-CE1 4.43Å; I223-F232 HydrophobicContact CD1-CG 4.42Å; I223-F232 HydrophobicContact CG1-CB 4.26Å; I223-F232 HydrophobicContact CG1-CD1 4.34Å; I223-F232 HydrophobicContact CG1-CG 4.49Å; I223-V241 HydrophobicContact CD1-CG1 3.94Å; I223-I243 HydrophobicContact CD1-CD1 4.32Å; I223-I243 HydrophobicContact CD1-CG1 4.11Å; I223-A246 HydrophobicContact CG2-CB 4.37Å; I223-I253 HydrophobicContact CG2-CD1 4.05Å; I223-I253 HydrophobicContact CG2-CG1 3.97Å
224R91.2Very high95.2Very high203 Ų20349.3 Ų49.377%0.76622%0.224SC*.SBendtrans-109-32.6174.3-59.3178.4179.8175.20.9111.7I222 D228I222-R224 PolarHBondContact O-N 3.47Å; I222-R224 VanDerWaalsContact O-N 3.15Å; R224-D228 WeakPolarHBondContact CA-OD2 3.35Å; R224-D228 WeakPolarHBondContact CB-OD2 3.49Å; R224-D228 PolarHBondContact N-OD2 3.21Å
225N91.9Very high95.2Very high62 Ų6252 Ų5233%0.33224%0.238SC..SBendtrans-132.6-179.1176.459.957.6000110.8E227 D228 I253N225-E227 WeakPolarHBondContact OD1-CB 3.48Å; N225-E227 PolarHBondContact OD1-N 2.85Å; N225-E227 PolarHBondContact OD1-OE2 3.16Å; N225-D228 PolarHBondContact N-OD2 3.46Å; N225-D228 PolarHBondContact ND2-OD2 3.25Å; N225-D228 PolarHBondContact OD1-N 3Å; N225-D228 PolarHBondContact OD1-OD1 3.37Å; N225-D228 PolarHBondContact OD1-OD2 3.3Å; N225-I253 VanDerWaalsContact C-CD1 3.43Å; N225-I253 WeakPolarHBondContact O-CD1 3.29Å
226H94.6Very high95.2Very high49 Ų4952 Ų5223%0.22724%0.238CC..SBendtrans-67.8-39.1-177.3176.7-87.8000112.1D228 I229 I253 F254 K255 S256H226-D228 PolarHBondContact O-N 2.9Å; H226-I229 WeakPolarHBondContact O-CB 3.35Å; H226-I229 WeakPolarHBondContact O-CG1 3.07Å; H226-I229 PolarHBondContact O-N 3.33Å; H226-I253 PolarHBondContact CD2-O 2.83Å; H226-F254 VanDerWaalsContact CD2-C 3.45Å; H226-F254 PolarHBondContact CD2-O 2.98Å; H226-F254 PolarHBondContact NE2-O 3.24Å; H226-K255 WeakPolarHBondContact CB-O 3.37Å; H226-S256 PolarHBondContact CD2-N 3.22Å; H226-S256 VanDerWaalsContact CE1-CB 3.47Å; H226-S256 WeakPolarHBondContact CE1-CB 3.26Å; H226-S256 WeakPolarHBondContact ND1-CA 3.42Å
227E92.5Very high95.2Very high93 Ų9354.1 Ų54.144%0.43525%0.254SS..Hα-helixtrans-63-33-178.3-62.268.1-14800111.7N225 I229 E230 Y231 F257N225-E227 WeakPolarHBondContact OD1-CB 3.48Å; N225-E227 PolarHBondContact OD1-N 2.85Å; N225-E227 PolarHBondContact OD1-OE2 3.16Å; E227-I229 PolarHBondContact O-N 3.37Å; E227-I229 VanDerWaalsContact O-N 3.16Å; E227-E230 PolarHBondContact O-N 3.46Å; E227-Y231 PolarHBondContact O-N 3.25Å; E227-F257 VanDerWaalsContact OE1-CB 3.3Å; E227-F257 WeakPolarHBondContact OE1-CB 3.24Å
228D96.2Very high95.2Very high36 Ų3654 Ų5419%0.19325%0.252CS..Hα-helixtrans-62.7-19.9175.9-61-36.4000113.1I222 R224 N225 H226 F232I222-D228 WeakPolarHBondContact O-CB 3.48Å; R224-D228 WeakPolarHBondContact CA-OD2 3.35Å; R224-D228 WeakPolarHBondContact CB-OD2 3.49Å; R224-D228 PolarHBondContact N-OD2 3.21Å; N225-D228 PolarHBondContact N-OD2 3.46Å; N225-D228 PolarHBondContact ND2-OD2 3.25Å; N225-D228 PolarHBondContact OD1-N 3Å; N225-D228 PolarHBondContact OD1-OD1 3.37Å; N225-D228 PolarHBondContact OD1-OD2 3.3Å; H226-D228 PolarHBondContact O-N 2.9Å; D228-F232 WeakPolarHBondContact O-CB 3.28Å; D228-F232 PolarHBondContact O-N 3.42Å
229I98.1Very high95.3Very high7 Ų755 Ų554%0.03626%0.26CS..Hα-helixtrans-65.1-47.8177.7-58.9171000109.9T16 I223 H226 E227 F232 R233 V241 I243 I253T16-I229 HydrophobicContact CG2-CG2 3.72Å; I223-I229 HydrophobicContact CG2-CG1 3.96Å; H226-I229 WeakPolarHBondContact O-CB 3.35Å; H226-I229 WeakPolarHBondContact O-CG1 3.07Å; H226-I229 PolarHBondContact O-N 3.33Å; E227-I229 PolarHBondContact O-N 3.37Å; E227-I229 VanDerWaalsContact O-N 3.16Å; I229-F232 PolarHBondContact O-N 3.39Å; I229-R233 WeakPolarHBondContact O-CB 3.45Å; I229-R233 PolarHBondContact O-N 3.12Å; I229-V241 HydrophobicContact CG2-CB 3.83Å; I229-V241 HydrophobicContact CG2-CG1 4.02Å; I229-V241 HydrophobicContact CG2-CG2 4.03Å; I229-I243 HydrophobicContact CD1-CD1 3.41Å; I229-I243 VanDerWaalsContact CD1-CD1 3.41Å; I229-I243 HydrophobicContact CG1-CD1 3.6Å; I229-I243 HydrophobicContact CG2-CD1 4.21Å; I229-I253 WeakPolarHBondContact CD1-O 3.23Å
230E97.2Very high95.5Very high73 Ų7354 Ų5434%0.34125%0.253SS..Hα-helixtrans-67.8-39.9179.2177.455.9-160.800110.9E227 F232 R233 Q234E227-E230 PolarHBondContact O-N 3.46Å; E230-F232 VanDerWaalsContact C-N 3.35Å; E230-F232 PolarHBondContact O-N 2.89Å; E230-R233 WeakPolarHBondContact O-CB 3.37Å; E230-R233 PolarHBondContact O-N 2.94Å; E230-R233 IonicContact OE1-CZ 2.79Å; E230-R233 IonicContact OE1-NE 3.11Å; E230-R233 PolarHBondContact OE1-NE 2.95Å; E230-R233 IonicContact OE1-NH2 3.51Å; E230-R233 PolarHBondContact OE1-NH2 2.93Å; E230-R233 IonicContact OE2-CZ 3.33Å; E230-R233 IonicContact OE2-NE 2.94Å; E230-R233 PolarHBondContact OE2-NE 2.81Å; E230-R233 IonicContact OE2-NH2 3.44Å; E230-R233 PolarHBondContact OE2-NH2 2.99Å; E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 3.45Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.26Å; E230-Q234 PolarHBondContact OE1-NE2 3.23Å
231Y97.5Very high96.1Very high131 Ų13150 Ų5051%0.51424%0.235SC..Hα-helixtrans-57-47.6171.9174.4-100.8000111.7I222 E227 R233 Q234 L235I222-Y231 HydrophobicContact CG2-CD1 3.75Å; I222-Y231 HydrophobicContact CG2-CE1 4.05Å; E227-Y231 PolarHBondContact O-N 3.25Å; Y231-R233 VanDerWaalsContact C-N 3.33Å; Y231-R233 PolarHBondContact O-N 3Å; Y231-Q234 PolarHBondContact O-N 3.43Å; Y231-L235 HydrophobicContact CE1-CD2 4.05Å; Y231-L235 VanDerWaalsContact O-CB 3.24Å; Y231-L235 WeakPolarHBondContact O-CB 3.33Å; Y231-L235 PolarHBondContact O-N 2.8Å
232F98.5Very high96.7Very high0 Ų047 Ų470%022%0.219CC..Hα-helixtrans-63.4-39178.1-178.5-131.7000112.4N199 I202 A215 I222 I223 D228 I229 E230 T236 V241N199-F232 WeakPolarHBondContact OD1-CE2 3.35Å; I202-F232 HydrophobicContact CD1-CZ 4.47Å; A215-F232 HydrophobicContact CB-CD1 4.21Å; A215-F232 HydrophobicContact CB-CE1 3.59Å; A215-F232 HydrophobicContact CB-CE2 4.45Å; A215-F232 HydrophobicContact CB-CZ 3.73Å; I222-F232 HydrophobicContact CD1-CD2 3.46Å; I222-F232 VanDerWaalsContact CD1-CD2 3.46Å; I222-F232 HydrophobicContact CD1-CE2 3.77Å; I222-F232 HydrophobicContact CD1-CG 4.39Å; I222-F232 HydrophobicContact CG2-CB 3.9Å; I222-F232 HydrophobicContact CG2-CD2 4.38Å; I222-F232 HydrophobicContact CG2-CG 4.4Å; I223-F232 HydrophobicContact CD1-CD1 3.79Å; I223-F232 HydrophobicContact CD1-CE1 4.43Å; I223-F232 HydrophobicContact CD1-CG 4.42Å; I223-F232 HydrophobicContact CG1-CB 4.26Å; I223-F232 HydrophobicContact CG1-CD1 4.34Å; I223-F232 HydrophobicContact CG1-CG 4.49Å; D228-F232 WeakPolarHBondContact O-CB 3.28Å; D228-F232 PolarHBondContact O-N 3.42Å; I229-F232 PolarHBondContact O-N 3.39Å; E230-F232 VanDerWaalsContact C-N 3.35Å; E230-F232 PolarHBondContact O-N 2.89Å; F232-T236 HydrophobicContact CD2-CG2 3.99Å; F232-T236 HydrophobicContact CE2-CG2 3.57Å; F232-T236 HydrophobicContact CZ-CG2 4.19Å; F232-T236 PolarHBondContact O-N 2.97Å; F232-T236 VanDerWaalsContact O-N 3.16Å; F232-T236 PolarHBondContact O-OG1 2.99Å; F232-V241 HydrophobicContact CD1-CG1 3.68Å; F232-V241 HydrophobicContact CD1-CG2 4.07Å; F232-V241 HydrophobicContact CE1-CG1 4.1Å
233R98.6Very high97Very high57 Ų5745.9 Ų45.922%0.21521%0.213CC..Hα-helixtrans-59.9-50.1175.8-165.4-171.767.674.3-1.7111.2I229 E230 Y231 T236 S237 A238 V241I229-R233 WeakPolarHBondContact O-CB 3.45Å; I229-R233 PolarHBondContact O-N 3.12Å; E230-R233 WeakPolarHBondContact O-CB 3.37Å; E230-R233 PolarHBondContact O-N 2.94Å; E230-R233 IonicContact OE1-CZ 2.79Å; E230-R233 IonicContact OE1-NE 3.11Å; E230-R233 PolarHBondContact OE1-NE 2.95Å; E230-R233 IonicContact OE1-NH2 3.51Å; E230-R233 PolarHBondContact OE1-NH2 2.93Å; E230-R233 IonicContact OE2-CZ 3.33Å; E230-R233 IonicContact OE2-NE 2.94Å; E230-R233 PolarHBondContact OE2-NE 2.81Å; E230-R233 IonicContact OE2-NH2 3.44Å; E230-R233 PolarHBondContact OE2-NH2 2.99Å; Y231-R233 VanDerWaalsContact C-N 3.33Å; Y231-R233 PolarHBondContact O-N 3Å; R233-T236 PolarHBondContact O-N 2.94Å; R233-T236 PolarHBondContact O-OG1 3.37Å; R233-S237 PolarHBondContact O-N 3.27Å; R233-S237 VanDerWaalsContact O-N 3.08Å; R233-A238 WeakPolarHBondContact CG-O 3.41Å; R233-A238 PolarHBondContact NH1-O 2.75Å; R233-A238 VanDerWaalsContact NH1-O 3.16Å; R233-A238 PolarHBondContact O-N 3.17Å; R233-V241 HydrophobicContact CB-CG2 3.61Å; R233-V241 HydrophobicContact CG-CG2 4.03Å
234Q98.3Very high97.1Very high113 Ų11346.6 Ų46.653%0.52822%0.22SC..Hα-helixtrans-64.7-45.3178.9-68.8177.98.100112E230 Y231 T236 S237E230-Q234 WeakPolarHBondContact O-CG 3.3Å; E230-Q234 PolarHBondContact O-N 3.45Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.26Å; E230-Q234 PolarHBondContact OE1-NE2 3.23Å; Y231-Q234 PolarHBondContact O-N 3.43Å; Q234-T236 PolarHBondContact O-N 3.01Å; Q234-S237 PolarHBondContact O-N 3.21Å
235L98.1Very high97.4Very high60 Ų6040.4 Ų40.431%0.31420%0.196SC..Hα-helixtrans-56.4-33.5178.7179.764.5000112.6N199 I222 Y231N199-L235 HydrophobicContact CB-CD2 4.26Å; N199-L235 HydrophobicContact CB-CG 4.3Å; N199-L235 WeakPolarHBondContact ND2-CD2 3.42Å; I222-L235 HydrophobicContact CD1-CD2 4.13Å; Y231-L235 HydrophobicContact CE1-CD2 4.05Å; Y231-L235 VanDerWaalsContact O-CB 3.24Å; Y231-L235 WeakPolarHBondContact O-CB 3.33Å; Y231-L235 PolarHBondContact O-N 2.8Å
236T98.6Very high97.6Very high0 Ų037.9 Ų37.90%018%0.184CC..THydrogen-bonded Turntrans-98.71.6179.853.70000113.4N199 I202 Q203 A215 F232 R233 Q234 A238N199-T236 HydrophobicContact CB-CG2 3.82Å; I202-T236 HydrophobicContact CB-CG2 4.03Å; I202-T236 HydrophobicContact CD1-CG2 4.13Å; I202-T236 HydrophobicContact CG2-CG2 4.11Å; Q203-T236 WeakPolarHBondContact CA-O 3.38Å; Q203-T236 PolarHBondContact N-O 2.92Å; A215-T236 HydrophobicContact CB-CG2 4.08Å; A215-T236 VanDerWaalsContact CB-OG1 3.25Å; A215-T236 WeakPolarHBondContact CB-OG1 3.44Å; F232-T236 HydrophobicContact CD2-CG2 3.99Å; F232-T236 HydrophobicContact CE2-CG2 3.57Å; F232-T236 HydrophobicContact CZ-CG2 4.19Å; F232-T236 PolarHBondContact O-N 2.97Å; F232-T236 VanDerWaalsContact O-N 3.16Å; F232-T236 PolarHBondContact O-OG1 2.99Å; R233-T236 PolarHBondContact O-N 2.94Å; R233-T236 PolarHBondContact O-OG1 3.37Å; Q234-T236 PolarHBondContact O-N 3.01Å; T236-A238 PolarHBondContact O-N 3.17Å; T236-A238 WeakPolarHBondContact OG1-CB 3.34Å
237S98.4Very high97.8Very high51 Ų5135.6 Ų35.636%0.35717%0.173SC..THydrogen-bonded Turntrans49.325.5-171.3-54.70000113.4Q203 R233 Q234Q203-S237 PolarHBondContact NE2-OG 3.41Å; R233-S237 PolarHBondContact O-N 3.27Å; R233-S237 VanDerWaalsContact O-N 3.08Å; Q234-S237 PolarHBondContact O-N 3.21Å
238A98.7Very high98Very high2 Ų231.9 Ų31.92%0.01716%0.156CC..  trans-77.7152.6-17600000111.1V213 A215 R233 T236V213-A238 CarbonylContact O-C 3.45Å; V213-A238 WeakPolarHBondContact O-CA 3.38Å; V213-A238 WeakPolarHBondContact O-CB 3.48Å; A215-A238 HydrophobicContact CB-CB 3.64Å; R233-A238 WeakPolarHBondContact CG-O 3.41Å; R233-A238 PolarHBondContact NH1-O 2.75Å; R233-A238 VanDerWaalsContact NH1-O 3.16Å; R233-A238 PolarHBondContact O-N 3.17Å; T236-A238 PolarHBondContact O-N 3.17Å; T236-A238 WeakPolarHBondContact OG1-CB 3.34Å
239A98.6Very high98.1Very high20 Ų2031.8 Ų31.817%0.16516%0.158CC..SBendtrans-68.8-38.1173.400000111.1A12 T13 G14 P212 V213A12-A239 HydrophobicContact CB-CB 4.42Å; A12-A239 CarbonylContact O-C 3.52Å; A12-A239 VanDerWaalsContact O-O 3.05Å; T13-A239 CarbonylContact C-O 3.59Å; T13-A239 WeakPolarHBondContact CA-O 3.48Å; G14-A239 PolarHBondContact N-O 3.16Å; P212-A239 HydrophobicContact CB-CB 3.69Å; V213-A239 PolarHBondContact O-N 3.47Å
240G98.7Very high98Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-152.4-179.9179.800000112.6K15 L214 A215K15-G240 CarbonylContact O-C 3.53Å; K15-G240 WeakPolarHBondContact O-CA 3.33Å; L214-G240 CarbonylContact C-O 3.57Å; L214-G240 WeakPolarHBondContact CA-O 3.48Å; A215-G240 PolarHBondContact N-O 3.01Å
241V98.9Very high98.1Very high1 Ų130.8 Ų30.81%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-127.9132.6-174.7177.10000111.4K15 T16 F17 I223 I229 F232 R233 I243K15-V241 PolarHBondContact O-N 2.96Å; T16-V241 WeakPolarHBondContact CA-O 3.36Å; F17-V241 PolarHBondContact N-O 2.83Å; I223-V241 HydrophobicContact CD1-CG1 3.94Å; I229-V241 HydrophobicContact CG2-CB 3.83Å; I229-V241 HydrophobicContact CG2-CG1 4.02Å; I229-V241 HydrophobicContact CG2-CG2 4.03Å; F232-V241 HydrophobicContact CD1-CG1 3.68Å; F232-V241 HydrophobicContact CD1-CG2 4.07Å; F232-V241 HydrophobicContact CE1-CG1 4.1Å; R233-V241 HydrophobicContact CB-CG2 3.61Å; R233-V241 HydrophobicContact CG-CG2 4.03Å; V241-I243 HydrophobicContact CG1-CD1 4.36Å; V241-I243 HydrophobicContact CG1-CG1 3.77Å
242V98.9Very high98.1Very high1 Ų124.8 Ų24.81%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-107.2118.1175.3-169.90000109.8F17 A19 I42 T183 L214 A215 N216F17-V242 HydrophobicContact CB-CB 4.25Å; F17-V242 HydrophobicContact CB-CG1 4.11Å; F17-V242 HydrophobicContact CB-CG2 4Å; F17-V242 HydrophobicContact CG-CG2 4.31Å; F17-V242 CarbonylContact O-C 3.52Å; F17-V242 WeakPolarHBondContact O-CA 3.42Å; A19-V242 VanDerWaalsContact CA-CG1 3.49Å; A19-V242 HydrophobicContact CB-CG1 3.62Å; I42-V242 HydrophobicContact CD1-CG1 4.11Å; T183-V242 HydrophobicContact CG2-CB 4.07Å; T183-V242 HydrophobicContact CG2-CG1 4.42Å; T183-V242 HydrophobicContact CG2-CG2 3.64Å; L214-V242 HydrophobicContact CB-CG2 3.63Å; L214-V242 HydrophobicContact CD1-CG2 3.99Å; L214-V242 HydrophobicContact CG-CG2 4.44Å; A215-V242 PolarHBondContact O-N 3.29Å; N216-V242 HydrophobicContact CB-CB 4.2Å; N216-V242 PolarHBondContact ND2-O 3.27Å
243I98.8Very high98Very high0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-110.2123.9-170.6-51.3-178.3000110.4F17 A19 I223 I229 V241 A246 A247 I253 F254F17-I243 PolarHBondContact O-N 3.28Å; A19-I243 VanDerWaalsContact CB-O 3.23Å; A19-I243 WeakPolarHBondContact CB-O 3.39Å; A19-I243 PolarHBondContact N-O 3.47Å; I223-I243 HydrophobicContact CD1-CD1 4.32Å; I223-I243 HydrophobicContact CD1-CG1 4.11Å; I229-I243 HydrophobicContact CD1-CD1 3.41Å; I229-I243 VanDerWaalsContact CD1-CD1 3.41Å; I229-I243 HydrophobicContact CG1-CD1 3.6Å; I229-I243 HydrophobicContact CG2-CD1 4.21Å; V241-I243 HydrophobicContact CG1-CD1 4.36Å; V241-I243 HydrophobicContact CG1-CG1 3.77Å; I243-A246 HydrophobicContact CG2-CB 3.8Å; I243-A247 HydrophobicContact CG2-CB 4.1Å; I243-I253 HydrophobicContact CG2-CG2 4.33Å; I243-F254 HydrophobicContact CB-CE1 4.18Å; I243-F254 HydrophobicContact CB-CZ 3.94Å; I243-F254 HydrophobicContact CD1-CD1 4.21Å; I243-F254 HydrophobicContact CD1-CE1 3.67Å; I243-F254 HydrophobicContact CD1-CZ 4.23Å; I243-F254 HydrophobicContact CG1-CE1 4.11Å; I243-F254 HydrophobicContact CG1-CZ 4.39Å
244A97.5Very high98Very high20 Ų2022.6 Ų22.617%0.16513%0.125CC..  trans-106.3-89.6-178.100000111.5A19 M21 S219 A246 A247 M248A19-A244 HydrophobicContact CB-CB 3.53Å; M21-A244 WeakPolarHBondContact CE-O 3.22Å; M21-A244 HydrophobicContact CG-CB 4.26Å; M21-A244 VanDerWaalsContact SD-C 3.51Å; M21-A244 HydrophobicContact SD-CB 3.78Å; S219-A244 PolarHBondContact OG-N 2.87Å; A244-A246 VanDerWaalsContact C-N 3.31Å; A244-A246 PolarHBondContact O-N 2.9Å; A244-A247 PolarHBondContact O-N 3.34Å; A244-A247 VanDerWaalsContact O-N 3.17Å; A244-M248 PolarHBondContact O-N 3.04Å
245R96Very high97.9Very high73 Ų7319 Ų1928%0.27511%0.108SC..Hα-helixtrans-64.1-32.6-169.2-77179.3-72.7139-6.8113.9P193 S219 M248 S249P193-R245 VanDerWaalsContact CA-NH2 3.3Å; P193-R245 VanDerWaalsContact CB-CZ 3.42Å; P193-R245 PolarHBondContact O-NH2 3.46Å; S219-R245 PolarHBondContact OG-N 3.24Å; R245-M248 WeakPolarHBondContact O-CB 3.16Å; R245-M248 PolarHBondContact O-N 3.43Å; R245-S249 PolarHBondContact O-N 3.04Å; R245-S249 PolarHBondContact O-OG 3.36Å
246A97Very high97.4Very high9 Ų918.7 Ų18.77%0.07411%0.111CC..Hα-helixtrans-65-44.4177.500000110.7S219 I223 I243 A244 S249 N250 I253S219-A246 PolarHBondContact OG-N 3.17Å; I223-A246 HydrophobicContact CG2-CB 4.37Å; I243-A246 HydrophobicContact CG2-CB 3.8Å; A244-A246 VanDerWaalsContact C-N 3.31Å; A244-A246 PolarHBondContact O-N 2.9Å; A246-S249 PolarHBondContact O-N 3.46Å; A246-S249 PolarHBondContact O-OG 2.92Å; A246-N250 CarbonylContact O-C 3.36Å; A246-N250 PolarHBondContact O-N 3.35Å; A246-I253 HydrophobicContact CB-CG1 4.18Å
247A98.3Very high96.5Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-66.8-36.3174.100000112.7L18 I243 A244 S249 N250 P251 I253 F254L18-A247 HydrophobicContact CD1-CB 3.68Å; I243-A247 HydrophobicContact CG2-CB 4.1Å; A244-A247 PolarHBondContact O-N 3.34Å; A244-A247 VanDerWaalsContact O-N 3.17Å; A247-S249 VanDerWaalsContact C-N 3.35Å; A247-S249 PolarHBondContact O-N 2.89Å; A247-N250 CarbonylContact O-C 3.6Å; A247-N250 VanDerWaalsContact O-C 3.27Å; A247-N250 PolarHBondContact O-N 2.66Å; A247-P251 WeakPolarHBondContact O-CA 3.25Å; A247-P251 WeakPolarHBondContact O-CD 3.41Å; A247-P251 WeakPolarHBondContact O-CG 3.48Å; A247-I253 HydrophobicContact CB-CG2 3.9Å; A247-F254 HydrophobicContact CB-CE2 3.58Å; A247-F254 HydrophobicContact CB-CZ 4.06Å
248M98.2Very high95.5Very high16 Ų1626.9 Ų26.98%0.07914%0.142CC..Hα-helixtrans-64.2-36.3175.8176.9-173.7175.100113.2M21 V24 A244 R245 Y289 R293M21-M248 HydrophobicContact CE-CB 4.09Å; M21-M248 HydrophobicContact SD-CB 3.95Å; M21-M248 HydrophobicContact SD-SD 4.19Å; V24-M248 HydrophobicContact CG1-CB 4.06Å; V24-M248 HydrophobicContact CG1-CG 3.89Å; V24-M248 HydrophobicContact CG2-CE 3.9Å; V24-M248 HydrophobicContact CG2-CG 3.93Å; V24-M248 HydrophobicContact CG2-SD 3.98Å; A244-M248 PolarHBondContact O-N 3.04Å; R245-M248 WeakPolarHBondContact O-CB 3.16Å; R245-M248 PolarHBondContact O-N 3.43Å; M248-Y289 HydrophobicContact CE-CE1 4.04Å; M248-R293 HydrophobicContact CE-CB 3.75Å; M248-R293 VanDerWaalsContact CE-CD 3.46Å; M248-R293 HydrophobicContact CE-CG 3.26Å; M248-R293 HydrophobicContact CG-CB 4.11Å
249S97Very high94.3Very high33 Ų3332.8 Ų32.823%0.23118%0.178CC..Hα-helixtrans-83.3-32.9174.950.40000112.9R245 A246 A247 M294R245-S249 PolarHBondContact O-N 3.04Å; R245-S249 PolarHBondContact O-OG 3.36Å; A246-S249 PolarHBondContact O-N 3.46Å; A246-S249 PolarHBondContact O-OG 2.92Å; A247-S249 VanDerWaalsContact C-N 3.35Å; A247-S249 PolarHBondContact O-N 2.89Å; S249-M294 WeakPolarHBondContact O-CA 3.37Å
250N97.3Very high93.4Very high60 Ų6039.4 Ų39.432%0.32121%0.21SC..  trans-149.392.5-177.318010.8000110A246 A247 A252 I253 I269A246-N250 CarbonylContact O-C 3.36Å; A246-N250 PolarHBondContact O-N 3.35Å; A247-N250 CarbonylContact O-C 3.6Å; A247-N250 VanDerWaalsContact O-C 3.27Å; A247-N250 PolarHBondContact O-N 2.66Å; N250-A252 PolarHBondContact O-N 3.01Å; N250-A252 VanDerWaalsContact O-N 3.17Å; N250-A252 WeakPolarHBondContact OD1-CB 3.42Å; N250-A252 PolarHBondContact OD1-N 2.85Å; N250-A252 VanDerWaalsContact OD1-N 3.08Å; N250-I253 VanDerWaalsContact O-CB 3.27Å; N250-I253 WeakPolarHBondContact O-CB 3.28Å; N250-I253 VanDerWaalsContact O-CG2 3.29Å; N250-I253 WeakPolarHBondContact O-CG2 3.34Å; N250-I253 PolarHBondContact O-N 3.09Å; N250-I269 VanDerWaalsContact OD1-CD1 3.23Å; N250-I269 WeakPolarHBondContact OD1-CD1 3.2Å
251P98.4Very high92.5Very high0 Ų043.1 Ų43.10%023%0.228CC..G310 helixtrans-56.3-26.1175-29.535.4000114.3M29 L32 Y36 A247 I253 F254 I269 M294M29-P251 HydrophobicContact CE-CG 4.27Å; M29-P251 HydrophobicContact SD-CB 4.36Å; M29-P251 HydrophobicContact SD-CG 3.65Å; L32-P251 HydrophobicContact CD2-CB 3.78Å; L32-P251 HydrophobicContact CD2-CG 3.68Å; L32-P251 HydrophobicContact CG-CB 3.89Å; L32-P251 HydrophobicContact CG-CG 4.35Å; Y36-P251 HydrophobicContact CD2-CB 3.91Å; Y36-P251 HydrophobicContact CE2-CB 4.19Å; A247-P251 WeakPolarHBondContact O-CA 3.25Å; A247-P251 WeakPolarHBondContact O-CD 3.41Å; A247-P251 WeakPolarHBondContact O-CG 3.48Å; P251-I253 PolarHBondContact O-N 2.94Å; P251-I253 VanDerWaalsContact O-N 3.11Å; P251-F254 WeakPolarHBondContact O-CD2 3.27Å; P251-I269 HydrophobicContact CB-CG2 4.4Å; P251-I269 HydrophobicContact CG-CG2 4.1Å; P251-M294 HydrophobicContact CG-CE 3.7Å
252A97.1Very high91.8Very high5 Ų548.3 Ų48.34%0.04126%0.261CS..G310 helixtrans-71.21.7175.800000113.5Y36 N250 F254 K255 P264 I269Y36-A252 HydrophobicContact CD1-CB 4.07Å; Y36-A252 HydrophobicContact CD2-CB 4.14Å; Y36-A252 HydrophobicContact CE1-CB 4.17Å; Y36-A252 HydrophobicContact CE2-CB 4.19Å; Y36-A252 HydrophobicContact CG-CB 4.09Å; N250-A252 PolarHBondContact O-N 3.01Å; N250-A252 VanDerWaalsContact O-N 3.17Å; N250-A252 WeakPolarHBondContact OD1-CB 3.42Å; N250-A252 PolarHBondContact OD1-N 2.85Å; N250-A252 VanDerWaalsContact OD1-N 3.08Å; A252-F254 PolarHBondContact O-N 2.88Å; A252-F254 VanDerWaalsContact O-N 3.14Å; A252-K255 WeakPolarHBondContact O-CB 3.42Å; A252-K255 PolarHBondContact O-N 2.79Å; A252-P264 HydrophobicContact CB-CG 3.5Å; A252-P264 VanDerWaalsContact CB-CG 3.5Å; A252-I269 HydrophobicContact CB-CD1 3.7Å; A252-I269 HydrophobicContact CB-CG1 4.23Å
253I97Very high91.3Very high7 Ų752.6 Ų52.64%0.03628%0.283CS..G310 helixtrans-56.1-25169.6-165.361.7000112.8I223 N225 H226 I229 I243 A246 A247 N250 P251 K255I223-I253 HydrophobicContact CG2-CD1 4.05Å; I223-I253 HydrophobicContact CG2-CG1 3.97Å; N225-I253 VanDerWaalsContact C-CD1 3.43Å; N225-I253 WeakPolarHBondContact O-CD1 3.29Å; H226-I253 PolarHBondContact CD2-O 2.83Å; I229-I253 WeakPolarHBondContact CD1-O 3.23Å; I243-I253 HydrophobicContact CG2-CG2 4.33Å; A246-I253 HydrophobicContact CB-CG1 4.18Å; A247-I253 HydrophobicContact CB-CG2 3.9Å; N250-I253 VanDerWaalsContact O-CB 3.27Å; N250-I253 WeakPolarHBondContact O-CB 3.28Å; N250-I253 VanDerWaalsContact O-CG2 3.29Å; N250-I253 WeakPolarHBondContact O-CG2 3.34Å; N250-I253 PolarHBondContact O-N 3.09Å; P251-I253 PolarHBondContact O-N 2.94Å; P251-I253 VanDerWaalsContact O-N 3.11Å; I253-K255 VanDerWaalsContact C-N 3.33Å
254F98Very high91Very high3 Ų353.7 Ų53.71%0.01329%0.291CS..G310 helixtrans-81.2-11.5176.1-64.7-72.7000113.6L18 C33 Y36 A38 H226 I243 A247 P251 A252 S256L18-F254 HydrophobicContact CB-CE2 4.4Å; L18-F254 HydrophobicContact CB-CZ 4.24Å; L18-F254 HydrophobicContact CD1-CE2 4.43Å; C33-F254 HydrophobicContact CB-CD2 3.87Å; C33-F254 HydrophobicContact CB-CE2 3.79Å; Y36-F254 CarbonylContact O-C 3.56Å; A38-F254 HydrophobicContact CB-CB 4.34Å; A38-F254 HydrophobicContact CB-CD1 3.76Å; A38-F254 HydrophobicContact CB-CD2 3.94Å; A38-F254 HydrophobicContact CB-CE1 3.96Å; A38-F254 HydrophobicContact CB-CE2 4.13Å; A38-F254 HydrophobicContact CB-CG 3.76Å; A38-F254 HydrophobicContact CB-CZ 4.15Å; H226-F254 VanDerWaalsContact CD2-C 3.45Å; H226-F254 PolarHBondContact CD2-O 2.98Å; H226-F254 PolarHBondContact NE2-O 3.24Å; I243-F254 HydrophobicContact CB-CE1 4.18Å; I243-F254 HydrophobicContact CB-CZ 3.94Å; I243-F254 HydrophobicContact CD1-CD1 4.21Å; I243-F254 HydrophobicContact CD1-CE1 3.67Å; I243-F254 HydrophobicContact CD1-CZ 4.23Å; I243-F254 HydrophobicContact CG1-CE1 4.11Å; I243-F254 HydrophobicContact CG1-CZ 4.39Å; A247-F254 HydrophobicContact CB-CE2 3.58Å; A247-F254 HydrophobicContact CB-CZ 4.06Å; P251-F254 WeakPolarHBondContact O-CD2 3.27Å; A252-F254 PolarHBondContact O-N 2.88Å; A252-F254 VanDerWaalsContact O-N 3.14Å; F254-S256 PolarHBondContact O-N 3.22Å
255K95.5Very high90.9Very high38 Ų3859.5 Ų59.517%0.16531%0.312CS..SBendtrans-83.2113.5-178.8-171-179.317475.20109Y36 H226 A252 I253 F257 E261 L263 P264Y36-K255 HydrophobicContact CD1-CB 4.28Å; Y36-K255 HydrophobicContact CD1-CD 4.24Å; Y36-K255 WeakPolarHBondContact O-CA 3.1Å; Y36-K255 PolarHBondContact O-N 3.23Å; H226-K255 WeakPolarHBondContact CB-O 3.37Å; A252-K255 WeakPolarHBondContact O-CB 3.42Å; A252-K255 PolarHBondContact O-N 2.79Å; I253-K255 VanDerWaalsContact C-N 3.33Å; K255-F257 PolarHBondContact O-N 2.82Å; K255-E261 VanDerWaalsContact CE-CD 3.46Å; K255-E261 WeakPolarHBondContact CE-OE1 3.35Å; K255-E261 WeakPolarHBondContact CE-OE2 3.12Å; K255-E261 IonicContact NZ-OE1 3.47Å; K255-E261 PolarHBondContact NZ-OE1 3.12Å; K255-E261 IonicContact NZ-OE2 3.51Å; K255-E261 PolarHBondContact NZ-OE2 2.96Å; K255-L263 HydrophobicContact CB-CD2 4.44Å; K255-L263 HydrophobicContact CD-CD2 4.31Å; K255-L263 HydrophobicContact CG-CD2 4.43Å; K255-P264 HydrophobicContact CD-CG 4.49Å
256S88.5Confident91Very high54 Ų5458.6 Ų58.638%0.37831%0.312SS..  trans-58.8135.6170.7-171.70000110.5H226 F254 Q258H226-S256 PolarHBondContact CD2-N 3.22Å; H226-S256 VanDerWaalsContact CE1-CB 3.47Å; H226-S256 WeakPolarHBondContact CE1-CB 3.26Å; H226-S256 WeakPolarHBondContact ND1-CA 3.42Å; F254-S256 PolarHBondContact O-N 3.22Å; S256-Q258 PolarHBondContact O-N 2.76Å
257F79.2Confident91Very high111 Ų11163.3 Ų63.349%0.48733%0.333SS..  trans-62.1131.6170.9-177.7-102.4000109.5E227 K255 V259 L263E227-F257 VanDerWaalsContact OE1-CB 3.3Å; E227-F257 WeakPolarHBondContact OE1-CB 3.24Å; K255-F257 PolarHBondContact O-N 2.82Å; F257-V259 HydrophobicContact CE1-CG2 4.35Å; F257-L263 HydrophobicContact CD2-CG 4.33Å
258Q77.5Confident91Very high111 Ų11167.9 Ų67.952%0.51935%0.354SS..BIsolated β-bridgetrans-124.5134.7170.4-61.4-17517.400107.1S256 D260 E261S256-Q258 PolarHBondContact O-N 2.76Å; Q258-D260 PolarHBondContact O-N 2.78Å; Q258-D260 VanDerWaalsContact O-N 3.11Å; Q258-E261 HydrophobicContact CB-CB 4.18Å; Q258-E261 PolarHBondContact O-N 3.1Å; Q258-E261 VanDerWaalsContact O-O 3.08Å
259V74.7Confident91Very high127 Ų12767.2 Ų67.277%0.7735%0.351SS*.THydrogen-bonded Turntrans-55.3-35-174.4177.30000111.8F257F257-V259 HydrophobicContact CE1-CG2 4.35Å
260D78.9Confident91.1Very high158 Ų15865.7 Ų65.785%0.84534%0.341SS*.THydrogen-bonded Turntrans-93.8-1-176.3-57.6-42.5000114Q258Q258-D260 PolarHBondContact O-N 2.78Å; Q258-D260 VanDerWaalsContact O-N 3.11Å
261E80.7Confident91.1Very high79 Ų7964 Ų6437%0.36933%0.333SS..BIsolated β-bridgetrans-129105-178.8-162-173.3177.900110.7K255 Q258K255-E261 VanDerWaalsContact CE-CD 3.46Å; K255-E261 WeakPolarHBondContact CE-OE1 3.35Å; K255-E261 WeakPolarHBondContact CE-OE2 3.12Å; K255-E261 IonicContact NZ-OE1 3.47Å; K255-E261 PolarHBondContact NZ-OE1 3.12Å; K255-E261 IonicContact NZ-OE2 3.51Å; K255-E261 PolarHBondContact NZ-OE2 2.96Å; Q258-E261 HydrophobicContact CB-CB 4.18Å; Q258-E261 PolarHBondContact O-N 3.1Å; Q258-E261 VanDerWaalsContact O-O 3.08Å
262P84.2Confident91.2Very high109 Ų10968 Ų6871%0.70835%0.348SS*.PPolyproline II helixtrans-62.3145.8178.127-33.6000110.5
263L88.4Confident91.2Very high91 Ų9167.7 Ų67.748%0.47635%0.346SS..PPolyproline II helixtrans-61.8140.1173.1-69.7174.7000110K255 F257K255-L263 HydrophobicContact CB-CD2 4.44Å; K255-L263 HydrophobicContact CD-CD2 4.31Å; K255-L263 HydrophobicContact CG-CD2 4.43Å; F257-L263 HydrophobicContact CD2-CG 4.33Å
264P92.7Very high91.3Very high24 Ų2467.4 Ų67.416%0.15635%0.345CS..PPolyproline II helixtrans-63.2141.3-177.227.9-36.6000110.4Y36 A252 K255 E268 I269Y36-P264 HydrophobicContact CD1-CG 4.45Å; Y36-P264 HydrophobicContact CE1-CB 4.36Å; Y36-P264 HydrophobicContact CE1-CG 3.68Å; A252-P264 HydrophobicContact CB-CG 3.5Å; A252-P264 VanDerWaalsContact CB-CG 3.5Å; K255-P264 HydrophobicContact CD-CG 4.49Å; P264-E268 WeakPolarHBondContact CA-OE2 3.47Å; P264-E268 HydrophobicContact CB-CB 4.35Å; P264-I269 HydrophobicContact CB-CG1 4.03Å; P264-I269 HydrophobicContact CG-CD1 4.14Å; P264-I269 HydrophobicContact CG-CG1 3.95Å
265K95.1Very high91.4Very high142 Ų14268.1 Ų68.162%0.61735%0.349SS*.PPolyproline II helixtrans-68.3155.4175.4-65.5175.6-176.4170.30109.9E267 E268 I269K265-E267 PolarHBondContact O-N 3.09Å; K265-E267 VanDerWaalsContact O-N 3.17Å; K265-E268 HydrophobicContact CB-CG 4.25Å; K265-E268 PolarHBondContact N-OE2 3.19Å; K265-E268 WeakPolarHBondContact O-CB 3.23Å; K265-E268 PolarHBondContact O-N 2.66Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.98Å
266L96.7Very high91.5Very high53 Ų5366.4 Ų66.428%0.27734%0.342SS..Hα-helixtrans-53-40.1176.8-178.460.3000112.4I269 I270 M294 L295 F298L266-I269 PolarHBondContact O-N 3.11Å; L266-I270 HydrophobicContact CD1-CD1 4.19Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.95Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.07Å; L266-M294 HydrophobicContact CD1-CB 4.02Å; L266-L295 HydrophobicContact CD2-CD2 4.1Å; L266-F298 HydrophobicContact CD2-CD2 4.33Å; L266-F298 HydrophobicContact CD2-CE2 3.5Å; L266-F298 VanDerWaalsContact CD2-CE2 3.5Å; L266-F298 HydrophobicContact CD2-CZ 4.01Å
267E97.3Very high92Very high108 Ų10863.8 Ų63.851%0.50532%0.324SS..Hα-helixtrans-59.8-48.3174.8176.2168-163.800112.1K265 I269 I270 C271K265-E267 PolarHBondContact O-N 3.09Å; K265-E267 VanDerWaalsContact O-N 3.17Å; E267-I269 VanDerWaalsContact C-N 3.28Å; E267-I269 PolarHBondContact O-N 3.03Å; E267-I270 PolarHBondContact O-N 2.83Å; E267-C271 WeakPolarHBondContact O-CB 3.42Å; E267-C271 PolarHBondContact O-N 3.47Å; E267-C271 PolarHBondContact O-SG 2.99Å
268E97.9Very high92.9Very high96 Ų9658.6 Ų58.645%0.44930%0.301SS..Hα-helixtrans-60.9-39.3179.1-65.6162.8-166.800111.7P264 K265 R272P264-E268 WeakPolarHBondContact CA-OE2 3.47Å; P264-E268 HydrophobicContact CB-CB 4.35Å; K265-E268 HydrophobicContact CB-CG 4.25Å; K265-E268 PolarHBondContact N-OE2 3.19Å; K265-E268 WeakPolarHBondContact O-CB 3.23Å; K265-E268 PolarHBondContact O-N 2.66Å; E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 PolarHBondContact O-N 3.35Å
269I98.7Very high93.9Very high3 Ų357 Ų572%0.01529%0.29CS..Hα-helixtrans-63.7-47.5175.7-62.7166.5000110.9L32 Y36 N250 P251 A252 P264 K265 L266 E267 R272 Y273 M294L32-I269 HydrophobicContact CD2-CG2 4.25Å; Y36-I269 HydrophobicContact CE2-CG1 4.22Å; Y36-I269 HydrophobicContact CE2-CG2 4.23Å; Y36-I269 WeakPolarHBondContact OH-CG1 3.45Å; N250-I269 VanDerWaalsContact OD1-CD1 3.23Å; N250-I269 WeakPolarHBondContact OD1-CD1 3.2Å; P251-I269 HydrophobicContact CB-CG2 4.4Å; P251-I269 HydrophobicContact CG-CG2 4.1Å; A252-I269 HydrophobicContact CB-CD1 3.7Å; A252-I269 HydrophobicContact CB-CG1 4.23Å; P264-I269 HydrophobicContact CB-CG1 4.03Å; P264-I269 HydrophobicContact CG-CD1 4.14Å; P264-I269 HydrophobicContact CG-CG1 3.95Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.98Å; L266-I269 PolarHBondContact O-N 3.11Å; E267-I269 VanDerWaalsContact C-N 3.28Å; E267-I269 PolarHBondContact O-N 3.03Å; I269-R272 PolarHBondContact O-N 3.24Å; I269-Y273 WeakPolarHBondContact O-CB 3.09Å; I269-Y273 PolarHBondContact O-N 3.08Å; I269-M294 HydrophobicContact CG2-CE 4.49Å; I269-M294 HydrophobicContact CG2-SD 4.12Å
270I98.8Very high95Very high1 Ų151.1 Ų51.11%0.00525%0.254CS..Hα-helixtrans-63.9-46.2178.6-70.8167.6000110.1L266 E267 R272 Y273 L274 V291 M294 L295 W320L266-I270 HydrophobicContact CD1-CD1 4.19Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.95Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.07Å; E267-I270 PolarHBondContact O-N 2.83Å; I270-R272 VanDerWaalsContact C-N 3.31Å; I270-R272 PolarHBondContact O-N 3.44Å; I270-Y273 WeakPolarHBondContact O-CB 3.31Å; I270-Y273 PolarHBondContact O-N 2.95Å; I270-L274 HydrophobicContact CG2-CD1 4Å; I270-L274 HydrophobicContact CG2-CG 4.3Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.37Å; I270-V291 HydrophobicContact CG2-CG1 4.11Å; I270-V291 HydrophobicContact CG2-CG2 4.21Å; I270-M294 HydrophobicContact CD1-CB 4.28Å; I270-M294 HydrophobicContact CG1-CB 4.14Å; I270-M294 HydrophobicContact CG1-SD 3.64Å; I270-L295 HydrophobicContact CD1-CD2 3.74Å; I270-L295 HydrophobicContact CD1-CG 3.95Å; I270-W320 HydrophobicContact CB-CZ2 4.42Å; I270-W320 HydrophobicContact CD1-CH2 4.42Å; I270-W320 HydrophobicContact CD1-CZ2 3.8Å; I270-W320 HydrophobicContact CG2-CD2 3.9Å; I270-W320 HydrophobicContact CG2-CE3 3.94Å; I270-W320 HydrophobicContact CG2-CH2 3.72Å; I270-W320 HydrophobicContact CG2-CZ2 3.64Å; I270-W320 HydrophobicContact CG2-CZ3 3.87Å
271C98.8Very high95.8Very high24 Ų2447.2 Ų47.216%0.16223%0.233CC..Hα-helixtrans-57.2-47.4177.5-69.60000110.5E267 Y273 L274 T275 M322E267-C271 WeakPolarHBondContact O-CB 3.42Å; E267-C271 PolarHBondContact O-N 3.47Å; E267-C271 PolarHBondContact O-SG 2.99Å; C271-Y273 PolarHBondContact O-N 3.11Å; C271-L274 PolarHBondContact O-N 3.14Å; C271-T275 PolarHBondContact O-N 3.38Å; C271-T275 PolarHBondContact O-OG1 3.2Å; C271-T275 VanDerWaalsContact O-OG1 3.07Å; C271-M322 WeakPolarHBondContact CA-SD 3.4Å; C271-M322 HydrophobicContact CB-CE 3.87Å; C271-M322 HydrophobicContact CB-SD 3.49Å; C271-M322 WeakPolarHBondContact CB-SD 3.44Å; C271-M322 VanDerWaalsContact O-CE 3.3Å; C271-M322 WeakPolarHBondContact O-CE 3.28Å; C271-M322 PolarHBondContact SG-SD 2.9Å
272R98.7Very high96.5Very high83 Ų8344.3 Ų44.331%0.31322%0.22SC..Hα-helixtrans-62.9-41.7177.5-174.760.8-171.1165.60.6112.5L32 E35 E268 I269 I270 L274 T275 L276L32-R272 HydrophobicContact CD1-CB 3.96Å; L32-R272 HydrophobicContact CD1-CG 3.55Å; E35-R272 IonicContact OE1-CZ 3.54Å; E35-R272 IonicContact OE1-NE 3.3Å; E35-R272 IonicContact OE1-NH2 3.48Å; E35-R272 PolarHBondContact OE1-NH2 2.91Å; E35-R272 IonicContact OE2-CZ 2.67Å; E35-R272 IonicContact OE2-NE 2.98Å; E35-R272 PolarHBondContact OE2-NE 3.35Å; E35-R272 IonicContact OE2-NH2 3.35Å; E35-R272 PolarHBondContact OE2-NH2 3.24Å; E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 PolarHBondContact O-N 3.35Å; I269-R272 PolarHBondContact O-N 3.24Å; I270-R272 VanDerWaalsContact C-N 3.31Å; I270-R272 PolarHBondContact O-N 3.44Å; R272-L274 VanDerWaalsContact C-N 3.32Å; R272-L274 PolarHBondContact O-N 3.17Å; R272-T275 WeakPolarHBondContact O-CB 3.36Å; R272-T275 PolarHBondContact O-N 3.43Å; R272-L276 WeakPolarHBondContact O-CG 3.39Å; R272-L276 PolarHBondContact O-N 2.68Å
273Y98.9Very high96.8Very high0 Ų044.3 Ų44.30%021%0.21CC..Hα-helixtrans-58.6-42.7174.1-179-107.6000112.2P28 M29 L32 I269 I270 C271 L276 S277 A287 C290 V291 M294P28-Y273 HydrophobicContact CB-CD2 4.24Å; P28-Y273 HydrophobicContact CB-CE2 3.8Å; M29-Y273 HydrophobicContact CB-CE2 4.08Å; M29-Y273 HydrophobicContact CE-CD2 4.26Å; M29-Y273 HydrophobicContact CE-CE2 3.99Å; L32-Y273 HydrophobicContact CD2-CD2 3.92Å; L32-Y273 HydrophobicContact CD2-CG 4.25Å; I269-Y273 WeakPolarHBondContact O-CB 3.09Å; I269-Y273 PolarHBondContact O-N 3.08Å; I270-Y273 WeakPolarHBondContact O-CB 3.31Å; I270-Y273 PolarHBondContact O-N 2.95Å; C271-Y273 PolarHBondContact O-N 3.11Å; Y273-L276 PolarHBondContact O-N 3.01Å; Y273-S277 WeakPolarHBondContact O-CB 3.41Å; Y273-S277 PolarHBondContact O-N 2.92Å; Y273-S277 PolarHBondContact O-OG 3.04Å; Y273-A287 HydrophobicContact CE1-CB 4.37Å; Y273-C290 HydrophobicContact CD1-CB 4.46Å; Y273-C290 HydrophobicContact CE1-CB 3.56Å; Y273-C290 HydrophobicContact CE2-CB 4.23Å; Y273-C290 VanDerWaalsContact CZ-CB 3.44Å; Y273-C290 VanDerWaalsContact OH-CB 3.28Å; Y273-C290 WeakPolarHBondContact OH-CB 3.22Å; Y273-C290 PolarHBondContact OH-SG 2.99Å; Y273-V291 HydrophobicContact CD1-CG2 3.94Å; Y273-V291 HydrophobicContact CE1-CG2 4.17Å; Y273-M294 HydrophobicContact CD1-CE 4.37Å; Y273-M294 HydrophobicContact CD2-CE 4.23Å; Y273-M294 HydrophobicContact CG-CE 3.97Å
274L98.9Very high97Very high1 Ų142 Ų421%0.00520%0.197CC..Hα-helixtrans-67.5-41.2177.6-70.5177.3000111.6I270 C271 R272 L276 S277 V278 V291 L316 W320 M322I270-L274 HydrophobicContact CG2-CD1 4Å; I270-L274 HydrophobicContact CG2-CG 4.3Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.37Å; C271-L274 PolarHBondContact O-N 3.14Å; R272-L274 VanDerWaalsContact C-N 3.32Å; R272-L274 PolarHBondContact O-N 3.17Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.01Å; L274-S277 WeakPolarHBondContact O-CB 3.26Å; L274-S277 PolarHBondContact O-N 2.75Å; L274-S277 VanDerWaalsContact O-N 3.11Å; L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 3.11Å; L274-V291 HydrophobicContact CD2-CG2 4.06Å; L274-L316 HydrophobicContact CD1-CB 4.26Å; L274-L316 HydrophobicContact CD2-CB 3.8Å; L274-L316 HydrophobicContact CD2-CD1 3.96Å; L274-W320 HydrophobicContact CD1-CD2 4.41Å; L274-W320 HydrophobicContact CD1-CE3 3.58Å; L274-W320 HydrophobicContact CD1-CZ3 4.01Å; L274-M322 HydrophobicContact CB-SD 4.29Å; L274-M322 HydrophobicContact CD1-SD 4.31Å
275T98.9Very high97Very high18 Ų1844 Ų4411%0.1122%0.216CC..Hα-helixtrans-55.2-48.4172.6-54.70000111.4C271 R272 S277 V278 R279 M322 V325 E329C271-T275 PolarHBondContact O-N 3.38Å; C271-T275 PolarHBondContact O-OG1 3.2Å; C271-T275 VanDerWaalsContact O-OG1 3.07Å; R272-T275 WeakPolarHBondContact O-CB 3.36Å; R272-T275 PolarHBondContact O-N 3.43Å; T275-S277 VanDerWaalsContact C-N 3.32Å; T275-S277 PolarHBondContact O-N 3.47Å; T275-V278 PolarHBondContact O-N 2.74Å; T275-R279 VanDerWaalsContact O-CB 3.27Å; T275-R279 WeakPolarHBondContact O-CB 3.18Å; T275-R279 PolarHBondContact O-N 3.45Å; T275-M322 WeakPolarHBondContact OG1-CE 3.23Å; T275-V325 HydrophobicContact CG2-CG1 3.91Å; T275-E329 HydrophobicContact CG2-CG 4.33Å
276L98.9Very high96.9Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-64.3-38.7176.8-68.7169.8000111.7P28 L31 L32 R272 Y273 L274 R279 Y280P28-L276 HydrophobicContact CB-CB 3.92Å; L31-L276 HydrophobicContact CB-CD1 4.08Å; L31-L276 HydrophobicContact CB-CD2 4.36Å; L31-L276 HydrophobicContact CD1-CD2 4.19Å; L32-L276 HydrophobicContact CB-CD1 3.93Å; L32-L276 HydrophobicContact CD1-CD1 4.26Å; R272-L276 WeakPolarHBondContact O-CG 3.39Å; R272-L276 PolarHBondContact O-N 2.68Å; Y273-L276 PolarHBondContact O-N 3.01Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.01Å; L276-R279 PolarHBondContact O-N 3.48Å; L276-Y280 HydrophobicContact CD2-CD2 4.44Å; L276-Y280 HydrophobicContact CD2-CE2 3.98Å; L276-Y280 WeakPolarHBondContact O-CD2 3.42Å; L276-Y280 PolarHBondContact O-N 2.9Å
277S98.8Very high97Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-62.9-41.1177.3-61.90000112.2Y273 L274 T275 D281 H282Y273-S277 WeakPolarHBondContact O-CB 3.41Å; Y273-S277 PolarHBondContact O-N 2.92Å; Y273-S277 PolarHBondContact O-OG 3.04Å; L274-S277 WeakPolarHBondContact O-CB 3.26Å; L274-S277 PolarHBondContact O-N 2.75Å; L274-S277 VanDerWaalsContact O-N 3.11Å; T275-S277 VanDerWaalsContact C-N 3.32Å; T275-S277 PolarHBondContact O-N 3.47Å; S277-D281 PolarHBondContact O-N 3.38Å; S277-D281 VanDerWaalsContact O-N 3.15Å; S277-H282 PolarHBondContact O-N 3.39Å
278V98.4Very high97Very high1 Ų131.6 Ų31.61%0.00616%0.159CC..Hα-helixtrans-70.7-47.5175.7178.50000111.1L274 T275 Y280 D281 L313 Y326 E329 M330 R333L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 3.11Å; T275-V278 PolarHBondContact O-N 2.74Å; V278-Y280 PolarHBondContact O-N 3.03Å; V278-D281 PolarHBondContact O-N 3.29Å; V278-L313 HydrophobicContact CG2-CB 4.42Å; V278-L313 HydrophobicContact CG2-CD1 4.25Å; V278-Y326 HydrophobicContact CG1-CD2 3.92Å; V278-Y326 HydrophobicContact CG1-CE2 4.29Å; V278-Y326 HydrophobicContact CG1-CG 4.48Å; V278-Y326 HydrophobicContact CG2-CD2 3.69Å; V278-Y326 HydrophobicContact CG2-CE2 4.3Å; V278-E329 HydrophobicContact CB-CB 4.41Å; V278-E329 HydrophobicContact CG1-CB 3.78Å; V278-M330 HydrophobicContact CG1-CG 4.28Å; V278-M330 HydrophobicContact CG1-SD 4.26Å; V278-R333 PolarHBondContact O-NH1 2.86Å
279R98.2Very high97.1Very high77 Ų7730.6 Ų30.629%0.29115%0.151SC..Hα-helixtrans-55.2-40.6-178.2179.5172.9-171.7-165.20.1112.6L62 E81 T275 L276 E329L62-R279 WeakPolarHBondContact CD2-O 3.48Å; E81-R279 IonicContact OE1-NH2 2.77Å; T275-R279 VanDerWaalsContact O-CB 3.27Å; T275-R279 WeakPolarHBondContact O-CB 3.18Å; T275-R279 PolarHBondContact O-N 3.45Å; L276-R279 PolarHBondContact O-N 3.48Å; R279-E329 HydrophobicContact CB-CG 4.36Å; R279-E329 WeakPolarHBondContact CB-OE2 3.36Å; R279-E329 WeakPolarHBondContact CG-OE2 3.49Å
280Y97.8Very high97.1Very high5 Ų530.5 Ų30.52%0.0215%0.151CC..THydrogen-bonded Turntrans-110.727.1-177.9-59.9-72.7000112.9H27 L31 T64 R77 E81 L276 V278 H282H27-Y280 AromaticContact CE1-CD1 3.43Å; H27-Y280 VanDerWaalsContact CE1-CD1 3.43Å; H27-Y280 WeakPolarHBondContact CE1-CD1 3.5Å; H27-Y280 AromaticContact CE1-CD2 3.5Å; H27-Y280 VanDerWaalsContact CE1-CD2 3.5Å; H27-Y280 WeakPolarHBondContact CE1-CD2 3.41Å; H27-Y280 AromaticContact CE1-CE1 3.63Å; H27-Y280 AromaticContact CE1-CE2 3.73Å; H27-Y280 AromaticContact CE1-CG 3.34Å; H27-Y280 AromaticContact CE1-CZ 3.77Å; H27-Y280 AromaticContact ND1-CD1 3.95Å; H27-Y280 AromaticContact ND1-CD2 3.71Å; H27-Y280 AromaticContact ND1-CG 3.48Å; L31-Y280 HydrophobicContact CD1-CD2 3.86Å; L31-Y280 HydrophobicContact CD1-CE2 3.23Å; T64-Y280 HydrophobicContact CG2-CD1 3.57Å; T64-Y280 HydrophobicContact CG2-CE1 3.89Å; R77-Y280 PolarHBondContact NH1-O 3.22Å; E81-Y280 VanDerWaalsContact CD-OH 3.27Å; E81-Y280 PolarHBondContact OE1-OH 3.2Å; L276-Y280 HydrophobicContact CD2-CD2 4.44Å; L276-Y280 HydrophobicContact CD2-CE2 3.98Å; L276-Y280 WeakPolarHBondContact O-CD2 3.42Å; L276-Y280 PolarHBondContact O-N 2.9Å; V278-Y280 PolarHBondContact O-N 3.03Å; Y280-H282 VanDerWaalsContact C-N 3.34Å; Y280-H282 PolarHBondContact O-N 2.83Å
281D94.4Very high97Very high76 Ų7630.4 Ų30.441%0.40615%0.15SC..THydrogen-bonded Turntrans46.651.7170.5-160.148.5000114.3L62 R77 S277 V278 R333L62-D281 HydrophobicContact CD1-CB 3.66Å; L62-D281 HydrophobicContact CD2-CB 3.96Å; L62-D281 HydrophobicContact CG-CB 4.46Å; R77-D281 PolarHBondContact NH1-O 3.11Å; S277-D281 PolarHBondContact O-N 3.38Å; S277-D281 VanDerWaalsContact O-N 3.15Å; V278-D281 PolarHBondContact O-N 3.29Å; D281-R333 VanDerWaalsContact CB-NH1 3.33Å; D281-R333 IonicContact OD1-CZ 3.63Å; D281-R333 VanDerWaalsContact OD1-CZ 3.3Å; D281-R333 IonicContact OD1-NH1 2.75Å; D281-R333 PolarHBondContact OD1-NH1 3.49Å; D281-R333 IonicContact OD1-NH2 3.18Å; D281-R333 PolarHBondContact OD1-NH2 2.74Å; D281-R333 IonicContact OD2-NH2 2.77Å
282H96.6Very high97Very high18 Ų1830.3 Ų30.38%0.08315%0.148CC..  trans-77.3130.3-179.5-165.249000110.7T26 P28 S277 Y280 I284 L313T26-H282 VanDerWaalsContact CB-CE1 3.47Å; T26-H282 WeakPolarHBondContact CB-CE1 3.46Å; T26-H282 PolarHBondContact OG1-CE1 3.31Å; T26-H282 PolarHBondContact OG1-NE2 2.89Å; P28-H282 HydrophobicContact CG-CB 3.7Å; S277-H282 PolarHBondContact O-N 3.39Å; Y280-H282 VanDerWaalsContact C-N 3.34Å; Y280-H282 PolarHBondContact O-N 2.83Å; H282-I284 PolarHBondContact O-N 2.85Å; H282-L313 VanDerWaalsContact O-CD1 3.3Å; H282-L313 WeakPolarHBondContact O-CD1 3.48Å
283H89.6Confident97Very high108 Ų10830.2 Ų30.250%0.515%0.148SC..  trans-57.4137.4179.671.2-69.5000112.5A285 G286 A287H283-A285 VanDerWaalsContact C-N 3.27Å; H283-A285 PolarHBondContact O-N 2.91Å; H283-A285 VanDerWaalsContact O-N 3.15Å; H283-G286 PolarHBondContact CD2-N 2.93Å; H283-G286 VanDerWaalsContact CD2-N 3.32Å; H283-G286 WeakPolarHBondContact NE2-CA 3.28Å; H283-G286 PolarHBondContact NE2-N 2.92Å; H283-G286 VanDerWaalsContact NE2-N 3.14Å; H283-G286 PolarHBondContact O-N 3.14Å; H283-A287 PolarHBondContact O-N 3.2Å; H283-A287 VanDerWaalsContact O-N 3.15Å
284I93.7Very high96.9Very high42 Ų4230.3 Ų30.322%0.21515%0.148CC..Hα-helixtrans-53.4-39.2-175.4178.856.3000113.4H282 G286 A287 K288 N311 E312 L313 L316H282-I284 PolarHBondContact O-N 2.85Å; I284-G286 VanDerWaalsContact C-N 3.28Å; I284-G286 PolarHBondContact O-N 2.95Å; I284-A287 PolarHBondContact O-N 3.41Å; I284-K288 HydrophobicContact CD1-CB 4.38Å; I284-K288 WeakPolarHBondContact O-CB 3.35Å; I284-K288 PolarHBondContact O-N 3.5Å; I284-N311 WeakPolarHBondContact CG1-O 3.49Å; I284-E312 VanDerWaalsContact CD1-C 3.5Å; I284-E312 WeakPolarHBondContact CD1-O 3.2Å; I284-L313 HydrophobicContact CD1-CD2 4.45Å; I284-L316 HydrophobicContact CD1-CD1 3.42Å; I284-L316 VanDerWaalsContact CD1-CD1 3.42Å; I284-L316 HydrophobicContact CD1-CG 3.82Å
285A91.9Very high96.9Very high66 Ų6630.5 Ų30.555%0.54515%0.149SC..Hα-helixtrans-63.3-35.7-178.300000112.5H283 Y289H283-A285 VanDerWaalsContact C-N 3.27Å; H283-A285 PolarHBondContact O-N 2.91Å; H283-A285 VanDerWaalsContact O-N 3.15Å; A285-Y289 VanDerWaalsContact O-CB 3.23Å; A285-Y289 WeakPolarHBondContact O-CB 2.99Å; A285-Y289 PolarHBondContact O-N 2.8Å; A285-Y289 VanDerWaalsContact O-N 3.11Å
286G93.6Very high96.5Very high1 Ų133.2 Ų33.21%0.0116%0.16CC..Hα-helixtrans-73.2-46.9175.900000111.6H283 I284 Y289 C290H283-G286 PolarHBondContact CD2-N 2.93Å; H283-G286 VanDerWaalsContact CD2-N 3.32Å; H283-G286 WeakPolarHBondContact NE2-CA 3.28Å; H283-G286 PolarHBondContact NE2-N 2.92Å; H283-G286 VanDerWaalsContact NE2-N 3.14Å; H283-G286 PolarHBondContact O-N 3.14Å; I284-G286 VanDerWaalsContact C-N 3.28Å; I284-G286 PolarHBondContact O-N 2.95Å; G286-Y289 WeakPolarHBondContact O-CB 3.44Å; G286-Y289 PolarHBondContact O-N 2.97Å; G286-C290 PolarHBondContact O-N 3.33Å
287A98.1Very high96.2Very high0 Ų039.2 Ų39.20%019%0.192CC..Hα-helixtrans-59.5-51.8177.800000111.6Y273 H283 I284 Y289 C290 V291 L313 L316Y273-A287 HydrophobicContact CE1-CB 4.37Å; H283-A287 PolarHBondContact O-N 3.2Å; H283-A287 VanDerWaalsContact O-N 3.15Å; I284-A287 PolarHBondContact O-N 3.41Å; A287-Y289 VanDerWaalsContact C-N 3.3Å; A287-Y289 PolarHBondContact O-N 3.22Å; A287-C290 PolarHBondContact O-N 2.79Å; A287-V291 WeakPolarHBondContact O-CG2 3.46Å; A287-V291 PolarHBondContact O-N 3.05Å; A287-L313 HydrophobicContact CB-CD2 3.51Å; A287-L316 HydrophobicContact CB-CD1 3.99Å
288K98.1Very high95.9Very high43 Ų4343.2 Ų43.219%0.18721%0.21CC..Hα-helixtrans-54.4-47174.8-179.8-174-64.4-169.10111I284 C290 V291 L292 V307 L308 A310 L316I284-K288 HydrophobicContact CD1-CB 4.38Å; I284-K288 WeakPolarHBondContact O-CB 3.35Å; I284-K288 PolarHBondContact O-N 3.5Å; K288-C290 PolarHBondContact O-N 2.83Å; K288-V291 PolarHBondContact O-N 3.11Å; K288-L292 HydrophobicContact CD-CD1 4.38Å; K288-L292 HydrophobicContact CG-CD1 3.85Å; K288-L292 HydrophobicContact CG-CG 4.36Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 VanDerWaalsContact O-CG 3.25Å; K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.26Å; K288-V307 WeakPolarHBondContact CD-O 3.26Å; K288-V307 VanDerWaalsContact CE-O 3.3Å; K288-V307 WeakPolarHBondContact CE-O 3.49Å; K288-V307 HydrophobicContact CG-CG1 4.18Å; K288-V307 WeakPolarHBondContact CG-O 3.28Å; K288-L308 PolarHBondContact NZ-O 3.42Å; K288-A310 WeakPolarHBondContact CE-O 3.4Å; K288-A310 PolarHBondContact NZ-O 3.31Å; K288-L316 HydrophobicContact CB-CD1 4.44Å
289Y98.2Very high95.3Very high74 Ų7444.3 Ų44.329%0.2922%0.222SC..Hα-helixtrans-57.7-53.1179179.5-97.5000110.8R23 V24 M248 A285 G286 A287 V291 L292 R293R23-Y289 HydrophobicContact CB-CD1 3.9Å; R23-Y289 HydrophobicContact CB-CE1 4.02Å; V24-Y289 HydrophobicContact CG2-CD1 4.26Å; V24-Y289 HydrophobicContact CG2-CE1 3.61Å; M248-Y289 HydrophobicContact CE-CE1 4.04Å; A285-Y289 VanDerWaalsContact O-CB 3.23Å; A285-Y289 WeakPolarHBondContact O-CB 2.99Å; A285-Y289 PolarHBondContact O-N 2.8Å; A285-Y289 VanDerWaalsContact O-N 3.11Å; G286-Y289 WeakPolarHBondContact O-CB 3.44Å; G286-Y289 PolarHBondContact O-N 2.97Å; A287-Y289 VanDerWaalsContact C-N 3.3Å; A287-Y289 PolarHBondContact O-N 3.22Å; Y289-V291 PolarHBondContact O-N 3.5Å; Y289-L292 PolarHBondContact O-N 3.47Å; Y289-R293 HydrophobicContact CD1-CG 4.24Å; Y289-R293 HydrophobicContact CE1-CG 3.94Å; Y289-R293 HydrophobicContact CE2-CG 4.37Å; Y289-R293 WeakPolarHBondContact O-CG 3.25Å; Y289-R293 PolarHBondContact O-N 3.28Å; Y289-R293 VanDerWaalsContact O-N 3.11Å
290C98.8Very high94.9Very high1 Ų141.6 Ų41.61%0.00722%0.217CC..Hα-helixtrans-59.8-44.4-179.6-720000113M29 Y273 G286 A287 K288 L292 R293 M294M29-C290 HydrophobicContact CE-CB 4Å; Y273-C290 HydrophobicContact CD1-CB 4.46Å; Y273-C290 HydrophobicContact CE1-CB 3.56Å; Y273-C290 HydrophobicContact CE2-CB 4.23Å; Y273-C290 VanDerWaalsContact CZ-CB 3.44Å; Y273-C290 VanDerWaalsContact OH-CB 3.28Å; Y273-C290 WeakPolarHBondContact OH-CB 3.22Å; Y273-C290 PolarHBondContact OH-SG 2.99Å; G286-C290 PolarHBondContact O-N 3.33Å; A287-C290 PolarHBondContact O-N 2.79Å; K288-C290 PolarHBondContact O-N 2.83Å; C290-L292 PolarHBondContact O-N 3.35Å; C290-R293 WeakPolarHBondContact O-CA 3.39Å; C290-R293 WeakPolarHBondContact O-CB 3.49Å; C290-R293 PolarHBondContact O-N 3.16Å; C290-M294 PolarHBondContact O-N 3.06Å
291V98.8Very high94.6Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-60.5-44.2177.3175.10000111.3I270 Y273 L274 A287 K288 Y289 R293 M294 L295 V307 W320I270-V291 HydrophobicContact CG2-CG1 4.11Å; I270-V291 HydrophobicContact CG2-CG2 4.21Å; Y273-V291 HydrophobicContact CD1-CG2 3.94Å; Y273-V291 HydrophobicContact CE1-CG2 4.17Å; L274-V291 HydrophobicContact CD2-CG2 4.06Å; A287-V291 WeakPolarHBondContact O-CG2 3.46Å; A287-V291 PolarHBondContact O-N 3.05Å; K288-V291 PolarHBondContact O-N 3.11Å; Y289-V291 PolarHBondContact O-N 3.5Å; V291-R293 PolarHBondContact O-N 2.7Å; V291-M294 WeakPolarHBondContact O-CB 3.49Å; V291-M294 PolarHBondContact O-N 3.11Å; V291-M294 VanDerWaalsContact O-N 3.17Å; V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 HydrophobicContact CG1-CG 4.42Å; V291-L295 WeakPolarHBondContact O-CB 3.24Å; V291-L295 WeakPolarHBondContact O-CG 2.94Å; V291-L295 PolarHBondContact O-N 2.67Å; V291-V307 HydrophobicContact CB-CG1 4.28Å; V291-V307 HydrophobicContact CG1-CG1 3.89Å; V291-V307 HydrophobicContact CG1-CG2 4.02Å; V291-W320 HydrophobicContact CG1-CH2 3.43Å; V291-W320 VanDerWaalsContact CG1-CH2 3.43Å; V291-W320 HydrophobicContact CG1-CZ2 4.36Å; V291-W320 HydrophobicContact CG1-CZ3 3.94Å
292L98.1Very high94.7Very high21 Ų2144.7 Ų44.711%0.1124%0.242CC..Hα-helixtrans-63.4-24.6175.3-68.7171000113.3K288 Y289 C290 L295 H296 Y304 V307 L308K288-L292 HydrophobicContact CD-CD1 4.38Å; K288-L292 HydrophobicContact CG-CD1 3.85Å; K288-L292 HydrophobicContact CG-CG 4.36Å; K288-L292 WeakPolarHBondContact O-CB 3.32Å; K288-L292 VanDerWaalsContact O-CG 3.25Å; K288-L292 WeakPolarHBondContact O-CG 3.47Å; K288-L292 PolarHBondContact O-N 3.26Å; Y289-L292 PolarHBondContact O-N 3.47Å; C290-L292 PolarHBondContact O-N 3.35Å; L292-L295 CarbonylContact O-C 3.48Å; L292-H296 PolarHBondContact O-N 3.33Å; L292-Y304 HydrophobicContact CB-CE2 4.33Å; L292-Y304 HydrophobicContact CD2-CD1 4.27Å; L292-Y304 HydrophobicContact CD2-CD2 3.85Å; L292-Y304 HydrophobicContact CD2-CE1 4.04Å; L292-Y304 HydrophobicContact CD2-CE2 3.58Å; L292-Y304 HydrophobicContact CD2-CG 4.18Å; L292-V307 HydrophobicContact CD2-CB 3.95Å; L292-V307 HydrophobicContact CD2-CG1 3.51Å; L292-V307 HydrophobicContact CG-CG1 3.66Å; L292-L308 HydrophobicContact CD1-CD2 3.67Å; L292-L308 HydrophobicContact CD1-CG 4.37Å; L292-L308 HydrophobicContact CD2-CD2 4.23Å; L292-L308 HydrophobicContact CD2-CG 4.06Å
293R97.8Very high94.6Very high81 Ų8146.5 Ų46.531%0.30625%0.251SS..Hα-helixtrans-81.4-32.3176.5-63.5-54.6-44.6-169.8-1.5112.3M248 Y289 C290 V291 H296M248-R293 HydrophobicContact CE-CB 3.75Å; M248-R293 VanDerWaalsContact CE-CD 3.46Å; M248-R293 HydrophobicContact CE-CG 3.26Å; M248-R293 HydrophobicContact CG-CB 4.11Å; Y289-R293 HydrophobicContact CD1-CG 4.24Å; Y289-R293 HydrophobicContact CE1-CG 3.94Å; Y289-R293 HydrophobicContact CE2-CG 4.37Å; Y289-R293 WeakPolarHBondContact O-CG 3.25Å; Y289-R293 PolarHBondContact O-N 3.28Å; Y289-R293 VanDerWaalsContact O-N 3.11Å; C290-R293 WeakPolarHBondContact O-CA 3.39Å; C290-R293 WeakPolarHBondContact O-CB 3.49Å; C290-R293 PolarHBondContact O-N 3.16Å; V291-R293 PolarHBondContact O-N 2.7Å; R293-H296 WeakPolarHBondContact O-CB 3.33Å; R293-H296 PolarHBondContact O-ND1 2.85Å; R293-H296 VanDerWaalsContact O-ND1 3.12Å
294M98.2Very high94.8Very high3 Ų343.8 Ų43.82%0.01524%0.237CC..Hα-helixtrans-65.2-45.9166.8-63.7178.2-168.200109.8M29 L32 S249 P251 L266 I269 I270 Y273 C290 V291 H296M29-M294 HydrophobicContact CE-CE 3.53Å; M29-M294 HydrophobicContact SD-CE 4.48Å; L32-M294 HydrophobicContact CD2-CE 4.21Å; S249-M294 WeakPolarHBondContact O-CA 3.37Å; P251-M294 HydrophobicContact CG-CE 3.7Å; L266-M294 HydrophobicContact CD1-CB 4.02Å; I269-M294 HydrophobicContact CG2-CE 4.49Å; I269-M294 HydrophobicContact CG2-SD 4.12Å; I270-M294 HydrophobicContact CD1-CB 4.28Å; I270-M294 HydrophobicContact CG1-CB 4.14Å; I270-M294 HydrophobicContact CG1-SD 3.64Å; Y273-M294 HydrophobicContact CD1-CE 4.37Å; Y273-M294 HydrophobicContact CD2-CE 4.23Å; Y273-M294 HydrophobicContact CG-CE 3.97Å; C290-M294 PolarHBondContact O-N 3.06Å; V291-M294 WeakPolarHBondContact O-CB 3.49Å; V291-M294 PolarHBondContact O-N 3.11Å; V291-M294 VanDerWaalsContact O-N 3.17Å; M294-H296 PolarHBondContact O-N 3.35Å; M294-H296 PolarHBondContact O-ND1 3.07Å
295L97.2Very high94.9Very high4 Ų443.4 Ų43.42%0.02123%0.234CC..THydrogen-bonded Turntrans-77.822.1176.4-63.6178.4000114.9L266 I270 V291 L292 N297 F298 Y304 V307 W320L266-L295 HydrophobicContact CD2-CD2 4.1Å; I270-L295 HydrophobicContact CD1-CD2 3.74Å; I270-L295 HydrophobicContact CD1-CG 3.95Å; V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 HydrophobicContact CG1-CG 4.42Å; V291-L295 WeakPolarHBondContact O-CB 3.24Å; V291-L295 WeakPolarHBondContact O-CG 2.94Å; V291-L295 PolarHBondContact O-N 2.67Å; L292-L295 CarbonylContact O-C 3.48Å; L295-N297 PolarHBondContact O-N 2.83Å; L295-F298 HydrophobicContact CB-CB 4.27Å; L295-F298 HydrophobicContact CB-CD2 4.34Å; L295-F298 HydrophobicContact CD2-CB 4.47Å; L295-F298 HydrophobicContact CD2-CD2 3.91Å; L295-F298 HydrophobicContact CD2-CE2 4.37Å; L295-F298 HydrophobicContact CD2-CG 4.17Å; L295-F298 WeakPolarHBondContact O-CB 3.18Å; L295-F298 PolarHBondContact O-N 3.14Å; L295-Y304 HydrophobicContact CB-CD2 3.98Å; L295-Y304 HydrophobicContact CB-CE2 4.41Å; L295-V307 HydrophobicContact CD1-CG2 3.96Å; L295-W320 HydrophobicContact CD1-CH2 4.02Å; L295-W320 HydrophobicContact CD1-CZ2 4.14Å
296H92.2Very high95.1Very high75 Ų7544.1 Ų44.135%0.34723%0.229SC..THydrogen-bonded Turntrans-59-24.5-17366.7-74.7000114.8L292 R293 M294L292-H296 PolarHBondContact O-N 3.33Å; R293-H296 WeakPolarHBondContact O-CB 3.33Å; R293-H296 PolarHBondContact O-ND1 2.85Å; R293-H296 VanDerWaalsContact O-ND1 3.12Å; M294-H296 PolarHBondContact O-N 3.35Å; M294-H296 PolarHBondContact O-ND1 3.07Å
297N91Very high95.3Very high127 Ų12744 Ų4468%0.67923%0.228SC*.THydrogen-bonded Turntrans-91.10.4176.5-65.5-30.8000113.8L295L295-N297 PolarHBondContact O-N 2.83Å
298F93Very high95.1Very high84 Ų8447.4 Ų47.437%0.36825%0.246SC..  trans-106.917-175.9-64.7-98.2000112.5L266 L295 G300 T301 Y304L266-F298 HydrophobicContact CD2-CD2 4.33Å; L266-F298 HydrophobicContact CD2-CE2 3.5Å; L266-F298 VanDerWaalsContact CD2-CE2 3.5Å; L266-F298 HydrophobicContact CD2-CZ 4.01Å; L295-F298 HydrophobicContact CB-CB 4.27Å; L295-F298 HydrophobicContact CB-CD2 4.34Å; L295-F298 HydrophobicContact CD2-CB 4.47Å; L295-F298 HydrophobicContact CD2-CD2 3.91Å; L295-F298 HydrophobicContact CD2-CE2 4.37Å; L295-F298 HydrophobicContact CD2-CG 4.17Å; L295-F298 WeakPolarHBondContact O-CB 3.18Å; L295-F298 PolarHBondContact O-N 3.14Å; F298-G300 PolarHBondContact O-N 3.08Å; F298-T301 HydrophobicContact CB-CG2 4.28Å; F298-T301 WeakPolarHBondContact O-CB 3.42Å; F298-T301 VanDerWaalsContact O-CG2 3.28Å; F298-T301 WeakPolarHBondContact O-CG2 3.26Å; F298-T301 PolarHBondContact O-N 3.5Å; F298-T301 VanDerWaalsContact O-N 3.11Å; F298-T301 PolarHBondContact O-OG1 2.87Å; F298-Y304 WeakPolarHBondContact O-CB 3.42Å
299G87.3Confident94.9Very high25 Ų2547.4 Ų47.426%0.25825%0.254SS..THydrogen-bonded Turntrans-54.6129.218000000112.5T301 P414G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.41Å; G299-P414 WeakPolarHBondContact O-CG 3.35Å
300G88.5Confident94.8Very high19 Ų1944.1 Ų44.120%0.19624%0.242CC..THydrogen-bonded Turntrans80.11.9179.700000115.5F298 S412F298-G300 PolarHBondContact O-N 3.08Å; G300-S412 PolarHBondContact O-OG 2.72Å
301T92.6Very high94.4Very high44 Ų4449.6 Ų49.627%0.2727%0.271SS..SBendtrans-78.9155.6167.665.30000111.2F298 G299 I303 Y304 E305F298-T301 HydrophobicContact CB-CG2 4.28Å; F298-T301 WeakPolarHBondContact O-CB 3.42Å; F298-T301 VanDerWaalsContact O-CG2 3.28Å; F298-T301 WeakPolarHBondContact O-CG2 3.26Å; F298-T301 PolarHBondContact O-N 3.5Å; F298-T301 VanDerWaalsContact O-N 3.11Å; F298-T301 PolarHBondContact O-OG1 2.87Å; G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.41Å; T301-I303 VanDerWaalsContact C-N 3.33Å; T301-I303 PolarHBondContact O-N 3.32Å; T301-I303 WeakPolarHBondContact OG1-CG2 3.37Å; T301-Y304 PolarHBondContact O-N 3.46Å; T301-Y304 VanDerWaalsContact O-N 3.09Å; T301-Y304 PolarHBondContact OG1-N 3.02Å; T301-E305 WeakPolarHBondContact O-CG 3.48Å; T301-E305 PolarHBondContact O-N 3.43Å; T301-E305 VanDerWaalsContact O-N 3.11Å
302P95Very high94Very high103 Ų10355.3 Ų55.367%0.66930%0.298SS*.Hα-helixtrans-51.3-47.5177.1-29.836.4000113.7Y304 E305 D306P302-Y304 VanDerWaalsContact C-N 3.29Å; P302-Y304 PolarHBondContact O-N 3.17Å; P302-E305 PolarHBondContact O-N 2.88Å; P302-E305 VanDerWaalsContact O-N 3.11Å; P302-D306 PolarHBondContact O-N 3Å
303I94.5Very high93.8Very high55 Ų5555.1 Ų55.128%0.28230%0.297SS..Hα-helixtrans-59.9-36.9179.4-169.7168.2000112.9T301 V307 I319 W320T301-I303 VanDerWaalsContact C-N 3.33Å; T301-I303 PolarHBondContact O-N 3.32Å; T301-I303 WeakPolarHBondContact OG1-CG2 3.37Å; I303-V307 VanDerWaalsContact O-CG2 3.24Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.21Å; I303-V307 VanDerWaalsContact O-N 3.08Å; I303-I319 HydrophobicContact CD1-CG2 4.27Å; I303-I319 HydrophobicContact CG1-CG2 3.81Å; I303-W320 HydrophobicContact CD1-CH2 4.48Å; I303-W320 HydrophobicContact CD1-CZ2 3.65Å; I303-W320 HydrophobicContact CG1-CH2 4.48Å; I303-W320 HydrophobicContact CG1-CZ2 4.11Å
304Y95.3Very high93.8Very high52 Ų5256.1 Ų56.120%0.20430%0.301CS..Hα-helixtrans-69.7-40177.5-170.9-86.4000111.8L292 L295 F298 T301 P302 V307 L308L292-Y304 HydrophobicContact CB-CE2 4.33Å; L292-Y304 HydrophobicContact CD2-CD1 4.27Å; L292-Y304 HydrophobicContact CD2-CD2 3.85Å; L292-Y304 HydrophobicContact CD2-CE1 4.04Å; L292-Y304 HydrophobicContact CD2-CE2 3.58Å; L292-Y304 HydrophobicContact CD2-CG 4.18Å; L295-Y304 HydrophobicContact CB-CD2 3.98Å; L295-Y304 HydrophobicContact CB-CE2 4.41Å; F298-Y304 WeakPolarHBondContact O-CB 3.42Å; T301-Y304 PolarHBondContact O-N 3.46Å; T301-Y304 VanDerWaalsContact O-N 3.09Å; T301-Y304 PolarHBondContact OG1-N 3.02Å; P302-Y304 VanDerWaalsContact C-N 3.29Å; P302-Y304 PolarHBondContact O-N 3.17Å; Y304-V307 PolarHBondContact O-N 3.3Å; Y304-L308 HydrophobicContact CD1-CD1 3.72Å; Y304-L308 HydrophobicContact CD1-CG 4.17Å; Y304-L308 HydrophobicContact CE1-CD1 3.6Å; Y304-L308 HydrophobicContact CE1-CG 4.02Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 2.94Å
305E94.5Very high93.7Very high33 Ų3359 Ų5915%0.15432%0.316CS..Hα-helixtrans-68.6-36.7176.4-61.9-59150.500111.8T301 P302 L308 A309 A472T301-E305 WeakPolarHBondContact O-CG 3.48Å; T301-E305 PolarHBondContact O-N 3.43Å; T301-E305 VanDerWaalsContact O-N 3.11Å; P302-E305 PolarHBondContact O-N 2.88Å; P302-E305 VanDerWaalsContact O-N 3.11Å; E305-L308 WeakPolarHBondContact O-CB 3.28Å; E305-L308 PolarHBondContact O-N 3.38Å; E305-A309 WeakPolarHBondContact O-CB 3.45Å; E305-A309 PolarHBondContact O-N 2.99Å; E305-A472 WeakPolarHBondContact OE2-CB 3.49Å
306D97.1Very high93.8Very high81 Ų8158.8 Ų58.843%0.43332%0.315SS..Hα-helixtrans-63.9-43.2174.7-66.6-23.7000110.9P302 L308 A309 A310 I319P302-D306 PolarHBondContact O-N 3Å; D306-L308 VanDerWaalsContact C-N 3.34Å; D306-L308 PolarHBondContact O-N 3.2Å; D306-A309 PolarHBondContact O-N 3.32Å; D306-A309 VanDerWaalsContact O-N 3.17Å; D306-A310 PolarHBondContact O-N 3.05Å; D306-I319 HydrophobicContact CB-CD1 3.78Å; D306-I319 HydrophobicContact CB-CG1 4.06Å
307V97Very high94.1Very high0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-63.8-39.5174.1173.70000111.5K288 V291 L292 L295 I303 Y304 A309 A310 L316 I319 W320K288-V307 WeakPolarHBondContact CD-O 3.26Å; K288-V307 VanDerWaalsContact CE-O 3.3Å; K288-V307 WeakPolarHBondContact CE-O 3.49Å; K288-V307 HydrophobicContact CG-CG1 4.18Å; K288-V307 WeakPolarHBondContact CG-O 3.28Å; V291-V307 HydrophobicContact CB-CG1 4.28Å; V291-V307 HydrophobicContact CG1-CG1 3.89Å; V291-V307 HydrophobicContact CG1-CG2 4.02Å; L292-V307 HydrophobicContact CD2-CB 3.95Å; L292-V307 HydrophobicContact CD2-CG1 3.51Å; L292-V307 HydrophobicContact CG-CG1 3.66Å; L295-V307 HydrophobicContact CD1-CG2 3.96Å; I303-V307 VanDerWaalsContact O-CG2 3.24Å; I303-V307 WeakPolarHBondContact O-CG2 3.31Å; I303-V307 PolarHBondContact O-N 3.21Å; I303-V307 VanDerWaalsContact O-N 3.08Å; Y304-V307 PolarHBondContact O-N 3.3Å; V307-A309 VanDerWaalsContact C-N 3.28Å; V307-A309 PolarHBondContact O-N 2.99Å; V307-A310 PolarHBondContact O-N 3.24Å; V307-L316 HydrophobicContact CB-CD2 4.34Å; V307-L316 HydrophobicContact CG1-CD2 3.87Å; V307-L316 HydrophobicContact CG2-CD2 4.34Å; V307-I319 HydrophobicContact CB-CD1 4.39Å; V307-I319 HydrophobicContact CG2-CD1 3.77Å; V307-W320 HydrophobicContact CG2-CH2 3.5Å; V307-W320 VanDerWaalsContact CG2-CH2 3.5Å; V307-W320 HydrophobicContact CG2-CZ3 3.84Å
308L93.9Very high94.4Very high70 Ų7051.2 Ų51.237%0.36628%0.283SS..Hα-helixtrans-60.7-39.9174.3-80.3172.1000111.5K288 L292 Y304 E305 D306K288-L308 PolarHBondContact NZ-O 3.42Å; L292-L308 HydrophobicContact CD1-CD2 3.67Å; L292-L308 HydrophobicContact CD1-CG 4.37Å; L292-L308 HydrophobicContact CD2-CD2 4.23Å; L292-L308 HydrophobicContact CD2-CG 4.06Å; Y304-L308 HydrophobicContact CD1-CD1 3.72Å; Y304-L308 HydrophobicContact CD1-CG 4.17Å; Y304-L308 HydrophobicContact CE1-CD1 3.6Å; Y304-L308 HydrophobicContact CE1-CG 4.02Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 2.94Å; E305-L308 WeakPolarHBondContact O-CB 3.28Å; E305-L308 PolarHBondContact O-N 3.38Å; D306-L308 VanDerWaalsContact C-N 3.34Å; D306-L308 PolarHBondContact O-N 3.2Å
309A94.9Very high94.7Very high43 Ų4349.3 Ų49.336%0.35528%0.276SS..Hα-helixtrans-78.2-22-177.200000114.6E305 D306 V307 N311E305-A309 WeakPolarHBondContact O-CB 3.45Å; E305-A309 PolarHBondContact O-N 2.99Å; D306-A309 PolarHBondContact O-N 3.32Å; D306-A309 VanDerWaalsContact O-N 3.17Å; V307-A309 VanDerWaalsContact C-N 3.28Å; V307-A309 PolarHBondContact O-N 2.99Å; A309-N311 PolarHBondContact O-N 3.48Å; A309-N311 PolarHBondContact O-ND2 2.99Å
310A95Very high95.2Very high5 Ų549 Ų494%0.04127%0.267CS..  trans-55.5128.5-179.300000113.2K288 D306 V307 D315 L316K288-A310 WeakPolarHBondContact CE-O 3.4Å; K288-A310 PolarHBondContact NZ-O 3.31Å; D306-A310 PolarHBondContact O-N 3.05Å; V307-A310 PolarHBondContact O-N 3.24Å; A310-D315 HydrophobicContact CB-CB 3.69Å; A310-L316 HydrophobicContact CB-CD2 3.5Å; A310-L316 HydrophobicContact CB-CG 3.92Å
311N91.4Very high95.7Very high116 Ų11654.8 Ų54.862%0.6229%0.294SS*.  trans-105.5-19.1-179.2-66.4-61000113.1I284 A309 D315I284-N311 WeakPolarHBondContact CG1-O 3.49Å; A309-N311 PolarHBondContact O-N 3.48Å; A309-N311 PolarHBondContact O-ND2 2.99Å; N311-D315 PolarHBondContact N-OD2 3.05Å
312E90.2Very high95.9Very high120 Ų12053.3 Ų53.356%0.56128%0.284SS*.SBendtrans-128.8160.8179.1-63.9-61160.100111.9I284 R314 D315 L316I284-E312 VanDerWaalsContact CD1-C 3.5Å; I284-E312 WeakPolarHBondContact CD1-O 3.2Å; E312-R314 PolarHBondContact O-N 3.11Å; E312-D315 PolarHBondContact N-OD2 2.9Å; E312-D315 WeakPolarHBondContact O-CB 3.38Å; E312-D315 PolarHBondContact O-N 2.65Å; E312-D315 VanDerWaalsContact O-N 3.12Å; E312-L316 PolarHBondContact O-N 2.88Å
313L92.8Very high96.1Very high17 Ų1750.9 Ų50.99%0.08927%0.265CS..Hα-helixtrans-57.9-34.1172-77.5-176.8000111.6V278 H282 I284 A287 D315 L316 C317 Y326V278-L313 HydrophobicContact CG2-CB 4.42Å; V278-L313 HydrophobicContact CG2-CD1 4.25Å; H282-L313 VanDerWaalsContact O-CD1 3.3Å; H282-L313 WeakPolarHBondContact O-CD1 3.48Å; I284-L313 HydrophobicContact CD1-CD2 4.45Å; A287-L313 HydrophobicContact CB-CD2 3.51Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.97Å; L313-L316 HydrophobicContact CD2-CD1 4.45Å; L313-L316 WeakPolarHBondContact O-CB 3.38Å; L313-L316 PolarHBondContact O-N 3.43Å; L313-C317 PolarHBondContact O-N 3.34Å; L313-C317 PolarHBondContact O-SG 2.86Å; L313-Y326 HydrophobicContact CB-CE2 4.27Å
314R97.3Very high96.3Very high103 Ų10353.5 Ų53.539%0.38928%0.279SS..Hα-helixtrans-61.5-37.8177.4-164.4176.3-173.4-79.7-2.4112.2E312 C317 A318 L323 Y326E312-R314 PolarHBondContact O-N 3.11Å; R314-C317 PolarHBondContact O-N 3.19Å; R314-A318 PolarHBondContact O-N 3.02Å; R314-L323 HydrophobicContact CG-CD2 3.66Å; R314-Y326 HydrophobicContact CB-CD1 4.47Å; R314-Y326 HydrophobicContact CB-CD2 4.07Å; R314-Y326 HydrophobicContact CB-CE1 4.13Å; R314-Y326 HydrophobicContact CB-CE2 3.69Å; R314-Y326 HydrophobicContact CB-CG 4.46Å; R314-Y326 HydrophobicContact CG-CD1 3.94Å; R314-Y326 HydrophobicContact CG-CD2 4.27Å; R314-Y326 HydrophobicContact CG-CE1 3.87Å; R314-Y326 HydrophobicContact CG-CE2 4.2Å; R314-Y326 HydrophobicContact CG-CG 4.16Å
315D97.8Very high96.4Very high63 Ų6352.8 Ų52.834%0.33728%0.281SS..Hα-helixtrans-64.8-43.8176.5-58.5-29.4000110.5A310 N311 E312 L313 C317 A318 I319A310-D315 HydrophobicContact CB-CB 3.69Å; N311-D315 PolarHBondContact N-OD2 3.05Å; E312-D315 PolarHBondContact N-OD2 2.9Å; E312-D315 WeakPolarHBondContact O-CB 3.38Å; E312-D315 PolarHBondContact O-N 2.65Å; E312-D315 VanDerWaalsContact O-N 3.12Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.97Å; D315-C317 PolarHBondContact O-N 3.3Å; D315-A318 WeakPolarHBondContact O-CB 3.42Å; D315-A318 PolarHBondContact O-N 3.11Å; D315-I319 WeakPolarHBondContact O-CG1 3.21Å; D315-I319 PolarHBondContact O-N 3.15Å
316L98.4Very high96.6Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-60.5-45.2174.6-66.8-180000111.3L274 I284 A287 K288 V307 A310 E312 L313 A318 I319 W320L274-L316 HydrophobicContact CD1-CB 4.26Å; L274-L316 HydrophobicContact CD2-CB 3.8Å; L274-L316 HydrophobicContact CD2-CD1 3.96Å; I284-L316 HydrophobicContact CD1-CD1 3.42Å; I284-L316 VanDerWaalsContact CD1-CD1 3.42Å; I284-L316 HydrophobicContact CD1-CG 3.82Å; A287-L316 HydrophobicContact CB-CD1 3.99Å; K288-L316 HydrophobicContact CB-CD1 4.44Å; V307-L316 HydrophobicContact CB-CD2 4.34Å; V307-L316 HydrophobicContact CG1-CD2 3.87Å; V307-L316 HydrophobicContact CG2-CD2 4.34Å; A310-L316 HydrophobicContact CB-CD2 3.5Å; A310-L316 HydrophobicContact CB-CG 3.92Å; E312-L316 PolarHBondContact O-N 2.88Å; L313-L316 HydrophobicContact CD2-CD1 4.45Å; L313-L316 WeakPolarHBondContact O-CB 3.38Å; L313-L316 PolarHBondContact O-N 3.43Å; L316-A318 VanDerWaalsContact C-N 3.29Å; L316-A318 PolarHBondContact O-N 3.23Å; L316-I319 HydrophobicContact CD2-CD1 4.36Å; L316-I319 PolarHBondContact O-N 3.06Å; L316-W320 VanDerWaalsContact O-CE3 3.27Å
317C98.5Very high96.7Very high1 Ų153.3 Ų53.31%0.00728%0.281CS..Hα-helixtrans-60.9-37.5175.8-71.30000112.3L313 R314 D315 I319 W320 N321 M322L313-C317 PolarHBondContact O-N 3.34Å; L313-C317 PolarHBondContact O-SG 2.86Å; R314-C317 PolarHBondContact O-N 3.19Å; D315-C317 PolarHBondContact O-N 3.3Å; C317-I319 VanDerWaalsContact C-N 3.33Å; C317-I319 PolarHBondContact O-N 3.44Å; C317-W320 CarbonylContact O-C 3.57Å; C317-W320 PolarHBondContact O-N 3.08Å; C317-N321 PolarHBondContact O-N 2.71Å; C317-M322 HydrophobicContact CB-CB 3.98Å; C317-M322 WeakPolarHBondContact O-CB 3.43Å; C317-M322 PolarHBondContact O-N 3.4Å
318A98.5Very high96.8Very high41 Ų4158.1 Ų58.134%0.33930%0.303SS..Hα-helixtrans-62.4-37.5178.900000113R314 D315 L316 W320 N321 L323R314-A318 PolarHBondContact O-N 3.02Å; D315-A318 WeakPolarHBondContact O-CB 3.42Å; D315-A318 PolarHBondContact O-N 3.11Å; L316-A318 VanDerWaalsContact C-N 3.29Å; L316-A318 PolarHBondContact O-N 3.23Å; A318-W320 PolarHBondContact O-N 2.99Å; A318-N321 PolarHBondContact O-N 2.67Å; A318-L323 HydrophobicContact CB-CD1 4.4Å; A318-L323 HydrophobicContact CB-CD2 3.97Å; A318-L323 HydrophobicContact CB-CG 4.22Å
319I98.4Very high97Very high45 Ų4555.3 Ų55.323%0.23129%0.289CS..Hα-helixtrans-56.4-33.4178.4-65.6167.8000111.7I303 D306 V307 D315 L316 C317I303-I319 HydrophobicContact CD1-CG2 4.27Å; I303-I319 HydrophobicContact CG1-CG2 3.81Å; D306-I319 HydrophobicContact CB-CD1 3.78Å; D306-I319 HydrophobicContact CB-CG1 4.06Å; V307-I319 HydrophobicContact CB-CD1 4.39Å; V307-I319 HydrophobicContact CG2-CD1 3.77Å; D315-I319 WeakPolarHBondContact O-CG1 3.21Å; D315-I319 PolarHBondContact O-N 3.15Å; L316-I319 HydrophobicContact CD2-CD1 4.36Å; L316-I319 PolarHBondContact O-N 3.06Å; C317-I319 VanDerWaalsContact C-N 3.33Å; C317-I319 PolarHBondContact O-N 3.44Å
320W97.9Very high96.9Very high17 Ų1756.2 Ų56.26%0.06429%0.286CS..THydrogen-bonded Turntrans-105.419178.4-75.8-79.9000113.8I270 L274 V291 L295 I303 V307 L316 C317 A318 M322I270-W320 HydrophobicContact CB-CZ2 4.42Å; I270-W320 HydrophobicContact CD1-CH2 4.42Å; I270-W320 HydrophobicContact CD1-CZ2 3.8Å; I270-W320 HydrophobicContact CG2-CD2 3.9Å; I270-W320 HydrophobicContact CG2-CE3 3.94Å; I270-W320 HydrophobicContact CG2-CH2 3.72Å; I270-W320 HydrophobicContact CG2-CZ2 3.64Å; I270-W320 HydrophobicContact CG2-CZ3 3.87Å; L274-W320 HydrophobicContact CD1-CD2 4.41Å; L274-W320 HydrophobicContact CD1-CE3 3.58Å; L274-W320 HydrophobicContact CD1-CZ3 4.01Å; V291-W320 HydrophobicContact CG1-CH2 3.43Å; V291-W320 VanDerWaalsContact CG1-CH2 3.43Å; V291-W320 HydrophobicContact CG1-CZ2 4.36Å; V291-W320 HydrophobicContact CG1-CZ3 3.94Å; L295-W320 HydrophobicContact CD1-CH2 4.02Å; L295-W320 HydrophobicContact CD1-CZ2 4.14Å; I303-W320 HydrophobicContact CD1-CH2 4.48Å; I303-W320 HydrophobicContact CD1-CZ2 3.65Å; I303-W320 HydrophobicContact CG1-CH2 4.48Å; I303-W320 HydrophobicContact CG1-CZ2 4.11Å; V307-W320 HydrophobicContact CG2-CH2 3.5Å; V307-W320 VanDerWaalsContact CG2-CH2 3.5Å; V307-W320 HydrophobicContact CG2-CZ3 3.84Å; L316-W320 VanDerWaalsContact O-CE3 3.27Å; C317-W320 CarbonylContact O-C 3.57Å; C317-W320 PolarHBondContact O-N 3.08Å; A318-W320 PolarHBondContact O-N 2.99Å; W320-M322 HydrophobicContact CB-CG 3.88Å; W320-M322 HydrophobicContact CB-SD 4.12Å; W320-M322 WeakPolarHBondContact O-CG 3.38Å; W320-M322 PolarHBondContact O-N 3.47Å
321N98.2Very high97Very high141 Ų14159.5 Ų59.575%0.75431%0.309SS*.THydrogen-bonded Turntrans56.433.8-179.4-54.4-68.8000114.2C317 A318C317-N321 PolarHBondContact O-N 2.71Å; A318-N321 PolarHBondContact O-N 2.67Å
322M98.3Very high97.3Very high13 Ų1357.1 Ų57.16%0.06429%0.293CS..  trans-102.427.7-175.5-57-175.166.300113.9C271 L274 T275 C317 W320 D324 V325 Y326C271-M322 WeakPolarHBondContact CA-SD 3.4Å; C271-M322 HydrophobicContact CB-CE 3.87Å; C271-M322 HydrophobicContact CB-SD 3.49Å; C271-M322 WeakPolarHBondContact CB-SD 3.44Å; C271-M322 VanDerWaalsContact O-CE 3.3Å; C271-M322 WeakPolarHBondContact O-CE 3.28Å; C271-M322 PolarHBondContact SG-SD 2.9Å; L274-M322 HydrophobicContact CB-SD 4.29Å; L274-M322 HydrophobicContact CD1-SD 4.31Å; T275-M322 WeakPolarHBondContact OG1-CE 3.23Å; C317-M322 HydrophobicContact CB-CB 3.98Å; C317-M322 WeakPolarHBondContact O-CB 3.43Å; C317-M322 PolarHBondContact O-N 3.4Å; W320-M322 HydrophobicContact CB-CG 3.88Å; W320-M322 HydrophobicContact CB-SD 4.12Å; W320-M322 WeakPolarHBondContact O-CG 3.38Å; W320-M322 PolarHBondContact O-N 3.47Å; M322-D324 VanDerWaalsContact C-N 3.3Å; M322-D324 PolarHBondContact O-N 2.64Å; M322-V325 HydrophobicContact CB-CB 4.3Å; M322-V325 HydrophobicContact CE-CB 4.09Å; M322-V325 HydrophobicContact CE-CG1 3.93Å; M322-V325 HydrophobicContact CE-CG2 4.19Å; M322-V325 PolarHBondContact O-N 3.16Å; M322-Y326 PolarHBondContact O-N 2.9Å
323L98.6Very high97.5Very high53 Ų5352 Ų5228%0.27727%0.269SS..Hα-helixtrans-67.2-33.4-178.1-70.8-178.9000112.3R314 A318 Y326 D327R314-L323 HydrophobicContact CG-CD2 3.66Å; A318-L323 HydrophobicContact CB-CD1 4.4Å; A318-L323 HydrophobicContact CB-CD2 3.97Å; A318-L323 HydrophobicContact CB-CG 4.22Å; L323-Y326 WeakPolarHBondContact O-CB 3.23Å; L323-Y326 PolarHBondContact O-N 2.88Å; L323-D327 WeakPolarHBondContact O-CB 3.42Å; L323-D327 VanDerWaalsContact O-CG 3.25Å; L323-D327 PolarHBondContact O-N 2.76Å
324D98.6Very high97.5Very high109 Ų10955.5 Ų55.558%0.58329%0.287SS*.Hα-helixtrans-61.6-44.217264.3-41.1000111.9M322 Y326 D327 H328M322-D324 VanDerWaalsContact C-N 3.3Å; M322-D324 PolarHBondContact O-N 2.64Å; D324-Y326 VanDerWaalsContact C-N 3.35Å; D324-D327 PolarHBondContact O-N 2.92Å; D324-H328 VanDerWaalsContact O-CB 3.25Å; D324-H328 WeakPolarHBondContact O-CB 3.5Å; D324-H328 PolarHBondContact O-N 2.75Å
325V98.2Very high97.4Very high38 Ų3856 Ų5623%0.2329%0.293CS..Hα-helixtrans-65.3-40.8175.6178.60000110.8T275 M322 H328 E329T275-V325 HydrophobicContact CG2-CG1 3.91Å; M322-V325 HydrophobicContact CB-CB 4.3Å; M322-V325 HydrophobicContact CE-CB 4.09Å; M322-V325 HydrophobicContact CE-CG1 3.93Å; M322-V325 HydrophobicContact CE-CG2 4.19Å; M322-V325 PolarHBondContact O-N 3.16Å; V325-H328 PolarHBondContact O-N 3.05Å; V325-E329 PolarHBondContact O-N 3.49Å
326Y98.3Very high97.2Very high47 Ų4755.8 Ų55.818%0.18429%0.288CS..Hα-helixtrans-59-53.7174.9176.4-84.7000111V278 L313 R314 M322 L323 D324 H328 E329 M330V278-Y326 HydrophobicContact CG1-CD2 3.92Å; V278-Y326 HydrophobicContact CG1-CE2 4.29Å; V278-Y326 HydrophobicContact CG1-CG 4.48Å; V278-Y326 HydrophobicContact CG2-CD2 3.69Å; V278-Y326 HydrophobicContact CG2-CE2 4.3Å; L313-Y326 HydrophobicContact CB-CE2 4.27Å; R314-Y326 HydrophobicContact CB-CD1 4.47Å; R314-Y326 HydrophobicContact CB-CD2 4.07Å; R314-Y326 HydrophobicContact CB-CE1 4.13Å; R314-Y326 HydrophobicContact CB-CE2 3.69Å; R314-Y326 HydrophobicContact CB-CG 4.46Å; R314-Y326 HydrophobicContact CG-CD1 3.94Å; R314-Y326 HydrophobicContact CG-CD2 4.27Å; R314-Y326 HydrophobicContact CG-CE1 3.87Å; R314-Y326 HydrophobicContact CG-CE2 4.2Å; R314-Y326 HydrophobicContact CG-CG 4.16Å; M322-Y326 PolarHBondContact O-N 2.9Å; L323-Y326 WeakPolarHBondContact O-CB 3.23Å; L323-Y326 PolarHBondContact O-N 2.88Å; D324-Y326 VanDerWaalsContact C-N 3.35Å; Y326-H328 VanDerWaalsContact C-N 3.29Å; Y326-H328 PolarHBondContact O-N 2.81Å; Y326-E329 PolarHBondContact O-N 3.46Å; Y326-M330 HydrophobicContact CD1-CG 4.11Å; Y326-M330 HydrophobicContact CE1-CG 3.71Å; Y326-M330 HydrophobicContact CE2-CG 4.36Å; Y326-M330 WeakPolarHBondContact O-CB 3.47Å; Y326-M330 VanDerWaalsContact O-CG 3.3Å; Y326-M330 WeakPolarHBondContact O-CG 3.45Å; Y326-M330 PolarHBondContact O-N 3.45Å
327D98.3Very high96.7Very high77 Ų7758.4 Ų58.441%0.41230%0.301SS..Hα-helixtrans-63.4-36.7-177.7-69.1-24.1000111.5L323 D324 S331L323-D327 WeakPolarHBondContact O-CB 3.42Å; L323-D327 VanDerWaalsContact O-CG 3.25Å; L323-D327 PolarHBondContact O-N 2.76Å; D324-D327 PolarHBondContact O-N 2.92Å; D327-S331 WeakPolarHBondContact O-CB 3.2Å; D327-S331 PolarHBondContact O-N 3.44Å; D327-S331 PolarHBondContact O-OG 2.78Å
328H98.5Very high96.4Very high101 Ų10164.3 Ų64.347%0.46833%0.327SS..Hα-helixtrans-63.6-50.2175.1-178.660.2000112.8D324 V325 Y326 M330 S331 K332D324-H328 VanDerWaalsContact O-CB 3.25Å; D324-H328 WeakPolarHBondContact O-CB 3.5Å; D324-H328 PolarHBondContact O-N 2.75Å; V325-H328 PolarHBondContact O-N 3.05Å; Y326-H328 VanDerWaalsContact C-N 3.29Å; Y326-H328 PolarHBondContact O-N 2.81Å; H328-M330 VanDerWaalsContact C-N 3.34Å; H328-M330 PolarHBondContact O-N 3.24Å; H328-S331 WeakPolarHBondContact O-CB 3.38Å; H328-S331 PolarHBondContact O-N 2.8Å; H328-K332 VanDerWaalsContact CE1-CE 3.43Å; H328-K332 WeakPolarHBondContact CE1-CE 3.32Å; H328-K332 WeakPolarHBondContact NE2-CE 3.23Å; H328-K332 PolarHBondContact NE2-NZ 3.32Å; H328-K332 VanDerWaalsContact NE2-NZ 3.15Å; H328-K332 WeakPolarHBondContact O-CG 3.43Å; H328-K332 PolarHBondContact O-N 3.05Å
329E98Very high96Very high12 Ų1266.8 Ų66.86%0.05634%0.335CS..Hα-helixtrans-68.2-35-180-72-56.7134.800111.9T275 V278 R279 V325 Y326 K332 R333T275-E329 HydrophobicContact CG2-CG 4.33Å; V278-E329 HydrophobicContact CB-CB 4.41Å; V278-E329 HydrophobicContact CG1-CB 3.78Å; R279-E329 HydrophobicContact CB-CG 4.36Å; R279-E329 WeakPolarHBondContact CB-OE2 3.36Å; R279-E329 WeakPolarHBondContact CG-OE2 3.49Å; V325-E329 PolarHBondContact O-N 3.49Å; Y326-E329 PolarHBondContact O-N 3.46Å; E329-K332 PolarHBondContact O-N 3.14Å; E329-K332 IonicContact OE1-NZ 2.85Å; E329-K332 PolarHBondContact OE1-NZ 3.09Å; E329-R333 VanDerWaalsContact O-CG 3.3Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 2.84Å
330M93.4Very high95.5Very high61 Ų6167.9 Ų67.930%0.334%0.339SS..Hα-helixtrans-62.5-41.9170.7-71.5-55.1-60.400112.3V278 Y326 H328 R333 L334V278-M330 HydrophobicContact CG1-CG 4.28Å; V278-M330 HydrophobicContact CG1-SD 4.26Å; Y326-M330 HydrophobicContact CD1-CG 4.11Å; Y326-M330 HydrophobicContact CE1-CG 3.71Å; Y326-M330 HydrophobicContact CE2-CG 4.36Å; Y326-M330 WeakPolarHBondContact O-CB 3.47Å; Y326-M330 VanDerWaalsContact O-CG 3.3Å; Y326-M330 WeakPolarHBondContact O-CG 3.45Å; Y326-M330 PolarHBondContact O-N 3.45Å; H328-M330 VanDerWaalsContact C-N 3.34Å; H328-M330 PolarHBondContact O-N 3.24Å; M330-R333 WeakPolarHBondContact O-CB 3.45Å; M330-R333 PolarHBondContact O-N 2.81Å; M330-L334 PolarHBondContact O-N 2.62Å; M330-L334 VanDerWaalsContact O-N 3.09Å
331S97.9Very high94.8Very high74 Ų7472.1 Ų72.152%0.51736%0.359SS..Hα-helixtrans-62.7-43.9176.8-62.50000111.6D327 H328 R333 L334 E335D327-S331 WeakPolarHBondContact O-CB 3.2Å; D327-S331 PolarHBondContact O-N 3.44Å; D327-S331 PolarHBondContact O-OG 2.78Å; H328-S331 WeakPolarHBondContact O-CB 3.38Å; H328-S331 PolarHBondContact O-N 2.8Å; S331-R333 PolarHBondContact O-N 3.31Å; S331-L334 PolarHBondContact O-N 3.48Å; S331-E335 PolarHBondContact O-N 2.72Å
332K98.2Very high94Very high66 Ų6671.5 Ų71.529%0.28735%0.351SS..Hα-helixtrans-64.1-37.1175.8-72.5-179-179.3162.90113.4H328 E329 E335 R336H328-K332 VanDerWaalsContact CE1-CE 3.43Å; H328-K332 WeakPolarHBondContact CE1-CE 3.32Å; H328-K332 WeakPolarHBondContact NE2-CE 3.23Å; H328-K332 PolarHBondContact NE2-NZ 3.32Å; H328-K332 VanDerWaalsContact NE2-NZ 3.15Å; H328-K332 WeakPolarHBondContact O-CG 3.43Å; H328-K332 PolarHBondContact O-N 3.05Å; E329-K332 PolarHBondContact O-N 3.14Å; E329-K332 IonicContact OE1-NZ 2.85Å; E329-K332 PolarHBondContact OE1-NZ 3.09Å; K332-E335 PolarHBondContact O-N 3.05Å; K332-R336 WeakPolarHBondContact O-CG 3.41Å; K332-R336 PolarHBondContact O-N 3.46Å
333R92.9Very high92.9Very high14 Ų1476.2 Ų76.25%0.05337%0.373CS..Hα-helixtrans-59.7-49.6174.3-76.617156.81690.6110.5E61 L62 V278 D281 E329 M330 S331 E335 R336 L337E61-R333 HydrophobicContact CG-CB 3.84Å; E61-R333 HydrophobicContact CG-CG 4.4Å; E61-R333 IonicContact OE1-CZ 3.33Å; E61-R333 IonicContact OE1-NE 3.6Å; E61-R333 PolarHBondContact OE1-NE 3.15Å; E61-R333 IonicContact OE1-NH2 3.67Å; E61-R333 PolarHBondContact OE1-NH2 2.98Å; L62-R333 HydrophobicContact CD2-CG 3.94Å; V278-R333 PolarHBondContact O-NH1 2.86Å; D281-R333 VanDerWaalsContact CB-NH1 3.33Å; D281-R333 IonicContact OD1-CZ 3.63Å; D281-R333 VanDerWaalsContact OD1-CZ 3.3Å; D281-R333 IonicContact OD1-NH1 2.75Å; D281-R333 PolarHBondContact OD1-NH1 3.49Å; D281-R333 IonicContact OD1-NH2 3.18Å; D281-R333 PolarHBondContact OD1-NH2 2.74Å; D281-R333 IonicContact OD2-NH2 2.77Å; E329-R333 VanDerWaalsContact O-CG 3.3Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 2.84Å; M330-R333 WeakPolarHBondContact O-CB 3.45Å; M330-R333 PolarHBondContact O-N 2.81Å; S331-R333 PolarHBondContact O-N 3.31Å; R333-E335 VanDerWaalsContact C-N 3.32Å; R333-E335 PolarHBondContact O-N 3.11Å; R333-R336 VanDerWaalsContact CG-NH2 3.26Å; R333-R336 PolarHBondContact O-N 2.99Å; R333-L337 PolarHBondContact O-N 3.44Å
334L92.4Very high91.8Very high89 Ų8977.9 Ų77.947%0.46638%0.379SS..Hα-helixtrans-61.6-40177.9-17762.6000112.2M330 S331 L337 K338M330-L334 PolarHBondContact O-N 2.62Å; M330-L334 VanDerWaalsContact O-N 3.09Å; S331-L334 PolarHBondContact O-N 3.48Å; L334-L337 PolarHBondContact O-N 2.94Å; L334-K338 HydrophobicContact CG-CD 4.32Å; L334-K338 WeakPolarHBondContact O-CG 3.42Å; L334-K338 PolarHBondContact O-N 2.71Å
335E96.3Very high90.2Very high114 Ų11479 Ų7953%0.53338%0.379SS..Hα-helixtrans-61.4-47175.5-170.7-173169.300112S331 K332 R333 L337 K338 N339S331-E335 PolarHBondContact O-N 2.72Å; K332-E335 PolarHBondContact O-N 3.05Å; R333-E335 VanDerWaalsContact C-N 3.32Å; R333-E335 PolarHBondContact O-N 3.11Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 2.99Å; E335-K338 PolarHBondContact O-N 2.82Å; E335-N339 WeakPolarHBondContact O-CB 3.43Å; E335-N339 VanDerWaalsContact O-CG 3.24Å; E335-N339 PolarHBondContact O-N 3.32Å; E335-N339 PolarHBondContact O-ND2 3.27Å
336R93.8Very high88.3Confident59 Ų5980 Ų8022%0.22339%0.386CS..Hα-helixtrans-59.7-42.7176.4-74.2-174.1-66.8-912.8112.1E61 K332 R333 N339 H340E61-R336 PolarHBondContact O-NE 3.47Å; E61-R336 PolarHBondContact O-NH2 2.99Å; K332-R336 WeakPolarHBondContact O-CG 3.41Å; K332-R336 PolarHBondContact O-N 3.46Å; R333-R336 VanDerWaalsContact CG-NH2 3.26Å; R333-R336 PolarHBondContact O-N 2.99Å; R336-N339 PolarHBondContact O-N 3.5Å; R336-H340 WeakPolarHBondContact O-CB 3.3Å; R336-H340 PolarHBondContact O-N 3.15Å
337L87.6Confident86.3Confident54 Ų5481.8 Ų81.828%0.28340%0.398SS..Hα-helixtrans-63.3-44.6177.1-175.160.9000111.9E61 R333 L334 E335 H340 H341E61-L337 HydrophobicContact CB-CB 4.27Å; E61-L337 HydrophobicContact CB-CD1 4.41Å; E61-L337 HydrophobicContact CG-CB 4.28Å; R333-L337 PolarHBondContact O-N 3.44Å; L334-L337 PolarHBondContact O-N 2.94Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-L337 PolarHBondContact O-N 2.99Å; L337-H340 PolarHBondContact O-N 3.44Å; L337-H341 PolarHBondContact O-CD2 3.35Å; L337-H341 VanDerWaalsContact O-CD2 3.26Å; L337-H341 PolarHBondContact O-N 3.22Å
338K91.4Very high84.1Confident126 Ų12683.2 Ų83.255%0.54841%0.405SS..Hα-helixtrans-60.2-46175.5-75.4173.1178.6175.90112L334 E335 H340 H341 H342L334-K338 HydrophobicContact CG-CD 4.32Å; L334-K338 WeakPolarHBondContact O-CG 3.42Å; L334-K338 PolarHBondContact O-N 2.71Å; E335-K338 PolarHBondContact O-N 2.82Å; K338-H340 VanDerWaalsContact C-N 3.29Å; K338-H340 PolarHBondContact O-N 2.89Å; K338-H341 PolarHBondContact O-N 2.87Å; K338-H342 WeakPolarHBondContact O-CB 3.31Å; K338-H342 PolarHBondContact O-N 3.11Å
339N90.7Very high81.7Confident92 Ų9282.5 Ų82.549%0.49241%0.405SS..Hα-helixtrans-62.8-37.9179.3-69.7-17.1000111.6E335 R336 H343E335-N339 WeakPolarHBondContact O-CB 3.43Å; E335-N339 VanDerWaalsContact O-CG 3.24Å; E335-N339 PolarHBondContact O-N 3.32Å; E335-N339 PolarHBondContact O-ND2 3.27Å; R336-N339 PolarHBondContact O-N 3.5Å; N339-H343 WeakPolarHBondContact O-CB 3.39Å; N339-H343 PolarHBondContact O-N 3.3Å
340H87.3Confident79.4Confident68 Ų6886.1 Ų86.132%0.31543%0.432SS..Hα-helixtrans-65.4-46.1175.6-172.171.7000112.6A60 R336 L337 K338 H343 Q344A60-H340 HydrophobicContact CB-CB 3.63Å; A60-H340 WeakPolarHBondContact CB-ND1 3.43Å; R336-H340 WeakPolarHBondContact O-CB 3.3Å; R336-H340 PolarHBondContact O-N 3.15Å; L337-H340 PolarHBondContact O-N 3.44Å; K338-H340 VanDerWaalsContact C-N 3.29Å; K338-H340 PolarHBondContact O-N 2.89Å; H340-H343 PolarHBondContact O-N 3.32Å; H340-Q344 PolarHBondContact NE2-NE2 3.47Å; H340-Q344 PolarHBondContact O-N 3.42Å
341H84Confident76.8Confident106 Ų10687.9 Ų87.949%0.49145%0.446SS..Hα-helixtrans-63.8-40.3176.4-73.6-50.9000112.6L337 K338 H343 Q344 F345L337-H341 PolarHBondContact O-CD2 3.35Å; L337-H341 VanDerWaalsContact O-CD2 3.26Å; L337-H341 PolarHBondContact O-N 3.22Å; K338-H341 PolarHBondContact O-N 2.87Å; H341-H343 VanDerWaalsContact C-N 3.34Å; H341-H343 PolarHBondContact O-N 3.11Å; H341-Q344 PolarHBondContact O-N 3.09Å; H341-F345 WeakPolarHBondContact O-CB 3.5Å; H341-F345 PolarHBondContact O-N 3.08Å
342H81.1Confident73.8Confident128 Ų12890.7 Ų90.759%0.59345%0.454SS*.Hα-helixtrans-62.1-41.9175-175.868.9000111.7K338 F345 T346K338-H342 WeakPolarHBondContact O-CB 3.31Å; K338-H342 PolarHBondContact O-N 3.11Å; H342-F345 PolarHBondContact O-N 2.78Å; H342-T346 WeakPolarHBondContact O-CB 3.48Å; H342-T346 PolarHBondContact O-N 2.85Å; H342-T346 PolarHBondContact O-OG1 3.26Å
343H75.8Confident70.6Confident113 Ų11395.6 Ų95.652%0.52348%0.483SS..Hα-helixtrans-64.8-42.9177.1-169.358.6000112.5N339 H340 H341 F345 T346 L347N339-H343 WeakPolarHBondContact O-CB 3.39Å; N339-H343 PolarHBondContact O-N 3.3Å; H340-H343 PolarHBondContact O-N 3.32Å; H341-H343 VanDerWaalsContact C-N 3.34Å; H341-H343 PolarHBondContact O-N 3.11Å; H343-F345 PolarHBondContact O-N 2.88Å; H343-T346 PolarHBondContact O-N 3.41Å; H343-L347 WeakPolarHBondContact NE2-CD1 3.18Å; H343-L347 WeakPolarHBondContact O-CB 3.17Å; H343-L347 WeakPolarHBondContact O-CG 3.3Å; H343-L347 PolarHBondContact O-N 2.57Å
344Q74.7Confident67.6Low87 Ų87100.2 Ų100.241%0.40752%0.516SS..Hα-helixtrans-62.6-41.2174.5-74-1699.800112.3H340 H341 L347 N348H340-Q344 PolarHBondContact NE2-NE2 3.47Å; H340-Q344 PolarHBondContact O-N 3.42Å; H341-Q344 PolarHBondContact O-N 3.09Å; Q344-L347 PolarHBondContact O-N 3.46Å; Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 VanDerWaalsContact O-CG 3.25Å; Q344-N348 PolarHBondContact O-N 3.17Å
345F64.6Low64.5Low133 Ų133103.3 Ų103.358%0.58353%0.533SS*.Hα-helixtrans-64.7-42177.4-168.2-100.2000111.8H341 H342 H343 N348 N349H341-F345 WeakPolarHBondContact O-CB 3.5Å; H341-F345 PolarHBondContact O-N 3.08Å; H342-F345 PolarHBondContact O-N 2.78Å; H343-F345 PolarHBondContact O-N 2.88Å; F345-N348 PolarHBondContact O-N 2.8Å; F345-N349 WeakPolarHBondContact CD1-ND2 3.24Å; F345-N349 WeakPolarHBondContact CE1-ND2 3.37Å; F345-N349 WeakPolarHBondContact CZ-ND2 2.9Å; F345-N349 WeakPolarHBondContact O-CB 3.08Å; F345-N349 PolarHBondContact O-N 3.4Å
346T58.7Low61.3Low60 Ų60106.6 Ų106.637%0.36855%0.549SS..Hα-helixtrans-65.6-41.6176.4-59.60000111.7H342 H343 N349 S350H342-T346 WeakPolarHBondContact O-CB 3.48Å; H342-T346 PolarHBondContact O-N 2.85Å; H342-T346 PolarHBondContact O-OG1 3.26Å; H343-T346 PolarHBondContact O-N 3.41Å; T346-N349 PolarHBondContact O-N 3.18Å; T346-S350 WeakPolarHBondContact O-CB 3.48Å; T346-S350 PolarHBondContact O-N 2.94Å; T346-S350 PolarHBondContact O-OG 2.93Å
347L56Low58.1Low83 Ų83112.6 Ų112.644%0.43558%0.579SS.*Hα-helixtrans-63.2-45.8174.8-77.6166.4000112H343 Q344 N349 S350 T351H343-L347 WeakPolarHBondContact NE2-CD1 3.18Å; H343-L347 WeakPolarHBondContact O-CB 3.17Å; H343-L347 WeakPolarHBondContact O-CG 3.3Å; H343-L347 PolarHBondContact O-N 2.57Å; Q344-L347 PolarHBondContact O-N 3.46Å; L347-N349 VanDerWaalsContact C-N 3.35Å; L347-N349 PolarHBondContact O-N 3.29Å; L347-S350 PolarHBondContact O-N 3.16Å; L347-T351 PolarHBondContact O-N 3.18Å; L347-T351 VanDerWaalsContact O-N 3.12Å; L347-T351 PolarHBondContact O-OG1 3.4Å
348N52.5Low55.3Low107 Ų107117.7 Ų117.757%0.57261%0.605SS**Hα-helixtrans-63.3-40.8178.1-72.1-6.4000111.5Q344 F345 S350 T351 I352Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 VanDerWaalsContact O-CG 3.25Å; Q344-N348 PolarHBondContact O-N 3.17Å; F345-N348 PolarHBondContact O-N 2.8Å; N348-S350 VanDerWaalsContact C-N 3.34Å; N348-S350 PolarHBondContact O-N 2.87Å; N348-T351 PolarHBondContact O-N 2.98Å; N348-I352 WeakPolarHBondContact O-CG1 3.38Å
349N48.3Very low52.2Low87 Ų87119.4 Ų119.447%0.46562%0.619SS.*Hα-helixtrans-71-28.6176-73-13.3000113.3F345 T346 L347 T351F345-N349 WeakPolarHBondContact CD1-ND2 3.24Å; F345-N349 WeakPolarHBondContact CE1-ND2 3.37Å; F345-N349 WeakPolarHBondContact CZ-ND2 2.9Å; F345-N349 WeakPolarHBondContact O-CB 3.08Å; F345-N349 PolarHBondContact O-N 3.4Å; T346-N349 PolarHBondContact O-N 3.18Å; L347-N349 VanDerWaalsContact C-N 3.35Å; L347-N349 PolarHBondContact O-N 3.29Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å
350S49.9Very low49.1Very low88 Ų88120 Ų12062%0.61563%0.63SS**Hα-helixtrans-72.6-21.8175-52.60000112.6T346 L347 N348T346-S350 WeakPolarHBondContact O-CB 3.48Å; T346-S350 PolarHBondContact O-N 2.94Å; T346-S350 PolarHBondContact O-OG 2.93Å; L347-S350 PolarHBondContact O-N 3.16Å; N348-S350 VanDerWaalsContact C-N 3.34Å; N348-S350 PolarHBondContact O-N 2.87Å
351T39.7Very low46.1Very low98 Ų98122 Ų12260%0.60165%0.652SS**THydrogen-bonded Turntrans-95.7-1.5-174-42.90000113L347 N348 N349 N353L347-T351 PolarHBondContact O-N 3.18Å; L347-T351 VanDerWaalsContact O-N 3.12Å; L347-T351 PolarHBondContact O-OG1 3.4Å; N348-T351 PolarHBondContact O-N 2.98Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å; T351-N353 PolarHBondContact O-N 3.42Å
352I34.8Very low43.4Very low133 Ų133122.8 Ų122.868%0.68267%0.666SS**THydrogen-bonded Turntrans-70.41-179.5-71.1169.4000113.7N348N348-I352 WeakPolarHBondContact O-CG1 3.38Å
353N31Very low40.8Very low168 Ų168122.4 Ų122.490%0.89868%0.678SS**THydrogen-bonded Turntrans-101.521.3177.9-129.34.5000115.7T351T351-N353 PolarHBondContact O-N 3.42Å
354C28.8Very low38.2Very low111 Ų111124.4 Ų124.475%0.7569%0.691SS**SBendtrans-130.8117.4168.5-146.70000111.4Q356C354-Q356 PolarHBondContact O-N 2.69Å
355N26.7Very low35.9Very low154 Ų154125.7 Ų125.782%0.82471%0.71SS**  trans-54.8127177.8-57.2-55.7000111.9
356Q30.3Very low33.9Very low184 Ų184127 Ų12786%0.8672%0.721SS**  trans176.1120.8134.5-97.7164.1-5.500112.7C354C354-Q356 PolarHBondContact O-N 2.69Å
357E27.2Very low32.3Very low185 Ų185128.7 Ų128.786%0.86474%0.735SS**  trans37102.4147.2-61.5-177.2179.300119.8I359E357-I359 PolarHBondContact O-N 3.47Å
358I27.2Very low30.8Very low161 Ų161130 Ų13083%0.82675%0.752SS**  trans-71.6109.7175.3-61162.9000109.7
359I26.9Very low29.6Very low161 Ų161131.6 Ų131.683%0.82676%0.76SS**  trans-91.2107161.8-61.9177.8000107.8E357E357-I359 PolarHBondContact O-N 3.47Å
360S25.1Very low28.5Very low106 Ų106133.9 Ų133.974%0.74178%0.777SS**  trans-64.3126.5-178.5-44.60000111.8
361S25.1Very low27.3Very low109 Ų109136.9 Ų136.976%0.76279%0.785SS**  trans-105.2143.2165-61.70000109.7
362P27.8Very low26.5Very low123 Ų123139.9 Ų139.980%0.79980%0.797SS**  trans-82.3139.3-165.731.6-32.9000113.2
363S24.9Very low26Very low120 Ų120140.6 Ų140.684%0.83980%0.8SS**  trans-72125.5176.337.90000111.9
364I23Very low25.6Very low154 Ų154138.2 Ų138.279%0.7979%0.794SS**  trans-96.4107.9170.8-65.4172.1000107.9I366I364-I366 HydrophobicContact CG2-CG1 4.4Å
365S24.9Very low25.3Very low115 Ų115142.5 Ų142.580%0.80480%0.803SS**  trans-82.3120.6171.2540000110
366I23.9Very low25.2Very low160 Ų160145.1 Ų145.182%0.82181%0.807SS**  trans-96.3110.7177.2-61.8170000107.6I364I364-I366 HydrophobicContact CG2-CG1 4.4Å
367S25.2Very low24.7Very low96 Ų96147.9 Ų147.967%0.67181%0.809SS**  trans-84.5133.2171.354.90000110.5D369S367-D369 PolarHBondContact O-N 3.17Å
368S23.6Very low24.3Very low111 Ų111144.1 Ų144.178%0.77680%0.804SS**  trans-83.498.3178.449.50000111
369D27.4Very low24Very low140 Ų140147.4 Ų147.475%0.74981%0.806SS**  trans-103.2114.8169.4-76.9-26.4000110.7S367 I371S367-D369 PolarHBondContact O-N 3.17Å; D369-I371 PolarHBondContact O-N 3.33Å
370T24.9Very low23.7Very low135 Ų135145.2 Ų145.283%0.82880%0.8SS**  trans-68.7110.3178.6-57.10000110.5
371I25.6Very low23.6Very low150 Ų150148.2 Ų148.277%0.76980%0.802SS**  trans-89.6113.6175.7-60175.7000109.4D369D369-I371 PolarHBondContact O-N 3.33Å
372L22.8Very low23.4Very low162 Ų162151.6 Ų151.685%0.84881%0.806SS**PPolyproline II helixtrans-73.5119.1176.2-146.786.7000110
373I24Very low23.1Very low148 Ų148154 Ų15476%0.75981%0.811SS**PPolyproline II helixtrans-91.7127.3178.9-58.7174.5000109.4
374P23.1Very low23Very low118 Ų118153.4 Ų153.477%0.76681%0.807SS**PPolyproline II helixtrans-78.4134.2-176.6-9.726.1000113.1
375E22.8Very low23.1Very low200 Ų200150.5 Ų150.594%0.93580%0.8SS**PPolyproline II helixtrans-60.5125.7174.1-63.6179.7156.300112.1
376K23Very low23Very low210 Ų210151.7 Ų151.791%0.91380%0.798SS**  trans-108.5111.8173.4-153.1174.5-174.9178.40110.2
377R19.6Very low23.2Very low241 Ų241148.2 Ų148.291%0.90978%0.784SS**  trans-52.8131.8-177-155.2173-173173.11.7113.4
378S20Very low23.3Very low107 Ų107148.9 Ų148.975%0.74878%0.784SS**  trans-66.9140172.943.90000111.9
379R21.1Very low23.5Very low230 Ų230149.6 Ų149.687%0.86878%0.778SS**  trans-123.299.2166-153175.6-174.7161.60.8107.1E381R379-E381 PolarHBondContact O-N 3.4Å
380V20.7Very low23.7Very low115 Ų115146.5 Ų146.570%0.69776%0.764SS**  trans-69.8117.8174.5176.20000107.2E382V380-E382 HydrophobicContact CG1-CG 4.08Å
381E22.9Very low24Very low169 Ų169147 Ų14779%0.7976%0.761SS**  trans-119.3101.8157.5-82.2-179.4-179.700106.4R379 L383R379-E381 PolarHBondContact O-N 3.4Å; E381-L383 PolarHBondContact O-N 3.06Å
382E20.1Very low24.2Very low179 Ų179143.1 Ų143.184%0.83674%0.744SS**  trans-60.6117.6171.2-71.9174141.400109V380V380-E382 HydrophobicContact CG1-CG 4.08Å
383L22.4Very low24.5Very low174 Ų174141.6 Ų141.691%0.91174%0.737SS**  trans-114.6117.1157.5-121.783.7000109.3E381E381-L383 PolarHBondContact O-N 3.06Å
384S22.2Very low25Very low107 Ų107142.7 Ų142.775%0.74874%0.744SS**  trans-43132.5-178.6-179.10000114.5
385S23.9Very low25.5Very low94 Ų94143.3 Ų143.366%0.65774%0.741SS**  trans-39.9131.9154.147.70000113.1
386N23.8Very low26.1Very low140 Ų140141.1 Ų141.175%0.74974%0.735SS**  trans162.477.9138.9-79.6-7000109.2
387T28.2Very low26.7Very low86 Ų86137.4 Ų137.453%0.52873%0.725SS.*  trans-133108.2172.1-55.90000109.4I389 I403T387-I389 HydrophobicContact CG2-CG1 4.46Å; T387-I403 HydrophobicContact CG2-CD1 4.42Å
388T26.3Very low27.6Very low111 Ų111130.1 Ų130.168%0.68170%0.704SS**  trans-90.6125.5168.3-54.50000108.2
389I29.3Very low28.5Very low125 Ų125129.4 Ų129.464%0.64170%0.695SS**  trans-96.3123.2179.4-59.2172.5000107.6T387T387-I389 HydrophobicContact CG2-CG1 4.46Å
390V30.2Very low29.3Very low75 Ų75120.3 Ų120.346%0.45567%0.673SS.*  trans-105.2122.6166.2-1770000107.8
391L31.5Very low30.4Very low147 Ų147116.3 Ų116.377%0.7765%0.649SS**PPolyproline II helixtrans-83.7121.6172.6-68.7164.7000107.9N393L391-N393 PolarHBondContact O-N 2.98Å
392V30.2Very low30.9Very low67 Ų67116.2 Ų116.241%0.40665%0.646SS.*PPolyproline II helixtrans-77.9119.3176-175.40000108.3L411V392-L411 HydrophobicContact CG2-CD2 4.09Å
393N28.6Very low31.9Very low131 Ų131109.8 Ų109.870%0.70162%0.617SS**PPolyproline II helixtrans-79.5160.4165.8-74.6-26.3000109.4L391 D395L391-N393 PolarHBondContact O-N 2.98Å; N393-D395 PolarHBondContact O-N 3.18Å
394N33.9Very low32.8Very low170 Ų170108.5 Ų108.591%0.90961%0.611SS**SBendtrans-54.72-173.9-94.5-4.7000117.6
395D34.2Very low34.2Very low131 Ų131111.6 Ų111.670%0.70162%0.619SS**SBendtrans-90.7118.8173-57.1-41.2000107.5N393 D397N393-D395 PolarHBondContact O-N 3.18Å; D395-D397 PolarHBondContact O-N 2.76Å
396N35.8Very low35.7Very low154 Ų154110.2 Ų110.282%0.82460%0.604SS**  trans-56.523.3-168.9-83.4-34.1000118.1I398N396-I398 PolarHBondContact O-N 3.47Å
397D35Very low37.9Very low132 Ų132107 Ų10771%0.70658%0.584SS**  trans-84.393174.9-77.6-22000111.2D395 T399D395-D397 PolarHBondContact O-N 2.76Å; D397-T399 PolarHBondContact O-N 3.46Å; D397-T399 VanDerWaalsContact O-N 3.11Å
398I38.6Very low40.6Very low89 Ų89103.3 Ų103.346%0.45656%0.561SS.*  trans-73.999.4174.5-56.6173.5000108.9N396 I409 V490N396-I398 PolarHBondContact O-N 3.47Å; I398-I409 HydrophobicContact CG2-CD1 4.38Å; I398-I409 HydrophobicContact CG2-CG2 4.3Å; I398-V490 HydrophobicContact CD1-CG1 4.38Å; I398-V490 HydrophobicContact CD1-CG2 4.48Å
399T39Very low43.5Very low91 Ų9198.7 Ų98.756%0.55853%0.532SS*.  trans-95.7108.3170.451.70000110D397D397-T399 PolarHBondContact O-N 3.46Å; D397-T399 VanDerWaalsContact O-N 3.11Å
400G38Very low46.3Very low40 Ų4094.2 Ų94.241%0.41251%0.51SS..  trans-73.2149.8177.500000112.7
401V44.9Very low48.8Very low31 Ų3192.2 Ų92.219%0.18850%0.497CS..EExtended strand (participates in β ladder)trans-90.6128.2172.7-175.60000108.4I403 E408V401-I403 HydrophobicContact CG1-CD1 4.25Å; V401-I403 HydrophobicContact CG1-CG1 3.91Å; V401-E408 PolarHBondContact N-O 3.43Å; V401-E408 PolarHBondContact O-N 2.65Å
402K32.5Very low51.5Low167 Ų16787.8 Ų87.873%0.72648%0.478SS*.EExtended strand (participates in β ladder)trans-85.6112.9172.2-79.9-176.8176.7178.20110.1E407K402-E407 HydrophobicContact CG-CG 4.28Å
403I41.7Very low54.1Low44 Ų4486.2 Ų86.223%0.22647%0.467CS..EExtended strand (participates in β ladder)trans-122.7125.4170.7-55.9178.4000107.3T387 V401 N405 L406T387-I403 HydrophobicContact CG2-CD1 4.42Å; V401-I403 HydrophobicContact CG1-CD1 4.25Å; V401-I403 HydrophobicContact CG1-CG1 3.91Å; I403-N405 PolarHBondContact O-N 2.94Å; I403-L406 PolarHBondContact N-O 3.26Å; I403-L406 VanDerWaalsContact N-O 3.11Å; I403-L406 PolarHBondContact O-N 3.41Å; I403-L406 VanDerWaalsContact O-N 3.07Å
404N41.8Very low56.8Low147 Ų14782.5 Ų82.579%0.78645%0.45SS*.THydrogen-bonded Turntrans52.148.4174.5-62.3-17.2000114.9L406N404-L406 PolarHBondContact O-N 3.08Å
405N51Low59.4Low171 Ų17175.4 Ų75.491%0.91441%0.411SS*.THydrogen-bonded Turntrans60.57.9-177.9-66.7-13.9000116I403I403-N405 PolarHBondContact O-N 2.94Å
406L55.9Low61.8Low65 Ų6572.8 Ų72.834%0.3440%0.395SS..EExtended strand (participates in β ladder)trans-113.9134.6173.8-68.9154.3000108.7I403 N404 E408 G464I403-L406 PolarHBondContact N-O 3.26Å; I403-L406 VanDerWaalsContact N-O 3.11Å; I403-L406 PolarHBondContact O-N 3.41Å; I403-L406 VanDerWaalsContact O-N 3.07Å; N404-L406 PolarHBondContact O-N 3.08Å; L406-E408 PolarHBondContact O-N 2.71Å; L406-G464 WeakPolarHBondContact CD2-O 3.31Å
407E68.5Low64.1Low72 Ų7269.1 Ų69.134%0.33637%0.369SS..EExtended strand (participates in β ladder)trans-71.6118.3170.3-72.4176.3165.600108.3K402 R465 R466K402-E407 HydrophobicContact CG-CG 4.28Å; E407-R465 IonicContact OE2-CZ 2.91Å; E407-R465 IonicContact OE2-NE 2.94Å; E407-R465 PolarHBondContact OE2-NE 3.31Å; E407-R465 VanDerWaalsContact OE2-NE 3.11Å; E407-R465 IonicContact OE2-NH2 3.83Å; E407-R465 PolarHBondContact OE2-NH2 2.94Å; E407-R466 PolarHBondContact O-N 3.25Å
408E86.3Confident66.4Low9 Ų970.3 Ų70.34%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-104.6124.3168.8-172.9171.1-93.400109.8V401 L406 V410 R466 R468V401-E408 PolarHBondContact N-O 3.43Å; V401-E408 PolarHBondContact O-N 2.65Å; L406-E408 PolarHBondContact O-N 2.71Å; E408-V410 HydrophobicContact CG-CG2 4.03Å; E408-R466 CarbonylContact C-O 3.56Å; E408-R466 WeakPolarHBondContact CA-O 3.49Å; E408-R466 HydrophobicContact CB-CB 3.92Å; E408-R466 HydrophobicContact CG-CB 3.78Å; E408-R466 IonicContact OE1-CZ 2.93Å; E408-R466 IonicContact OE1-NE 2.95Å; E408-R466 PolarHBondContact OE1-NE 3.5Å; E408-R466 IonicContact OE1-NH2 3Å; E408-R468 HydrophobicContact CG-CB 4.4Å; E408-R468 IonicContact OE2-CZ 2.98Å; E408-R468 IonicContact OE2-NE 3.5Å; E408-R468 PolarHBondContact OE2-NE 3.26Å; E408-R468 IonicContact OE2-NH2 3.11Å; E408-R468 PolarHBondContact OE2-NH2 3.06Å
409I85.9Confident68.6Low15 Ų1570.1 Ų70.18%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-105.6126.7175.6-58.2173.4000107.9I398 R466 Y467 R468 V490I398-I409 HydrophobicContact CG2-CD1 4.38Å; I398-I409 HydrophobicContact CG2-CG2 4.3Å; I409-R466 PolarHBondContact N-O 3.33Å; I409-Y467 HydrophobicContact CB-CD1 4.17Å; I409-Y467 HydrophobicContact CD1-CD1 4.41Å; I409-Y467 HydrophobicContact CD1-CE1 3.92Å; I409-Y467 CarbonylContact O-C 3.54Å; I409-Y467 WeakPolarHBondContact O-CA 3.48Å; I409-R468 PolarHBondContact O-N 3.15Å; I409-V490 HydrophobicContact CD1-CG1 3.8Å; I409-V490 HydrophobicContact CD1-CG2 4.38Å; I409-V490 HydrophobicContact CG2-CG2 3.84Å
410V88.6Confident70.8Confident30 Ų3066 Ų6618%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-121.3119.8-173-171.10000108.6E408 R468 T470E408-V410 HydrophobicContact CG-CG2 4.03Å; V410-R468 WeakPolarHBondContact CA-O 3.3Å; V410-R468 HydrophobicContact CG1-CB 4.45Å; V410-R468 HydrophobicContact CG2-CB 4.29Å; V410-T470 HydrophobicContact CG1-CG2 3.4Å; V410-T470 VanDerWaalsContact CG1-CG2 3.4Å
411L82.1Confident72.8Confident33 Ų3366.1 Ų66.117%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-133155.7173.8-61.7175.6000109.8V392 I413 R468 N469 T470 V486 V490V392-L411 HydrophobicContact CG2-CD2 4.09Å; L411-I413 HydrophobicContact CB-CD1 4.31Å; L411-I413 HydrophobicContact CB-CG1 4.12Å; L411-I413 HydrophobicContact CD1-CD1 4.26Å; L411-R468 PolarHBondContact N-O 2.86Å; L411-R468 VanDerWaalsContact N-O 3.14Å; L411-N469 VanDerWaalsContact O-CA 3.31Å; L411-N469 WeakPolarHBondContact O-CA 3.45Å; L411-N469 PolarHBondContact O-OD1 3.28Å; L411-T470 PolarHBondContact O-N 3.41Å; L411-T470 VanDerWaalsContact O-N 3.08Å; L411-T470 PolarHBondContact O-OG1 3.4Å; L411-V486 HydrophobicContact CB-CG1 3.92Å; L411-V486 HydrophobicContact CB-CG2 3.98Å; L411-V486 HydrophobicContact CD1-CG1 4Å; L411-V486 HydrophobicContact CG-CG1 3.98Å; L411-V490 HydrophobicContact CD1-CG2 4.25Å
412S88.4Confident74.2Confident54 Ų5470.3 Ų70.338%0.37835%0.349SS..  trans-100.2100.4170.9-167.90000109.1G300 T470G300-S412 PolarHBondContact O-OG 2.72Å; S412-T470 WeakPolarHBondContact CA-OG1 3.41Å; S412-T470 VanDerWaalsContact CB-OG1 3.26Å; S412-T470 WeakPolarHBondContact CB-OG1 3.39Å
413I85.4Confident76Confident34 Ų3470.3 Ų70.317%0.17435%0.351CS..  trans-123.6105.2178.6-53-177.2000109.3L411 Y415 N469 L485 V486 H489L411-I413 HydrophobicContact CB-CD1 4.31Å; L411-I413 HydrophobicContact CB-CG1 4.12Å; L411-I413 HydrophobicContact CD1-CD1 4.26Å; I413-Y415 PolarHBondContact O-N 2.85Å; I413-N469 PolarHBondContact N-OD1 3.3Å; I413-N469 PolarHBondContact O-OD1 3.09Å; I413-L485 HydrophobicContact CB-CB 4.31Å; I413-L485 HydrophobicContact CD1-CB 4.37Å; I413-L485 HydrophobicContact CG2-CB 3.85Å; I413-L485 HydrophobicContact CG2-CD1 3.78Å; I413-L485 HydrophobicContact CG2-CG 4.48Å; I413-V486 HydrophobicContact CD1-CB 4.49Å; I413-V486 HydrophobicContact CD1-CG2 4.02Å; I413-V486 HydrophobicContact CG1-CG2 4.19Å; I413-H489 HydrophobicContact CD1-CB 4.12Å
414P85Confident77.2Confident54 Ų5470.5 Ų70.535%0.35136%0.363SS..  trans-61.3134.7177.6-2433.7000112.7G299 S471G299-P414 WeakPolarHBondContact O-CG 3.35Å; P414-S471 WeakPolarHBondContact CA-OG 3.46Å
415Y87.9Confident79.2Confident20 Ų2065.4 Ų65.48%0.07834%0.338CS..  trans-106.6115.1172.6177.7-96.6000111.7I413 R417 W420 P427 Y478 Q481 L485I413-Y415 PolarHBondContact O-N 2.85Å; Y415-R417 HydrophobicContact CE1-CB 4.1Å; Y415-R417 WeakPolarHBondContact OH-CD 3.45Å; Y415-W420 HydrophobicContact CD2-CE3 4.04Å; Y415-W420 AromaticContact CD2-CH2 3.76Å; Y415-W420 HydrophobicContact CD2-CH2 3.76Å; Y415-W420 HydrophobicContact CD2-CZ2 4.44Å; Y415-W420 AromaticContact CD2-CZ3 3.54Å; Y415-W420 HydrophobicContact CD2-CZ3 3.54Å; Y415-W420 AromaticContact CE2-CD2 3.94Å; Y415-W420 HydrophobicContact CE2-CD2 3.94Å; Y415-W420 AromaticContact CE2-CE3 3.48Å; Y415-W420 HydrophobicContact CE2-CE3 3.48Å; Y415-W420 VanDerWaalsContact CE2-CE3 3.48Å; Y415-W420 AromaticContact CE2-CH2 3.97Å; Y415-W420 HydrophobicContact CE2-CH2 3.97Å; Y415-W420 HydrophobicContact CE2-CZ2 4.39Å; Y415-W420 AromaticContact CE2-CZ3 3.5Å; Y415-W420 HydrophobicContact CE2-CZ3 3.5Å; Y415-W420 VanDerWaalsContact CE2-CZ3 3.5Å; Y415-W420 HydrophobicContact CG-CZ3 4.49Å; Y415-P427 HydrophobicContact CE2-CG 4.13Å; Y415-Y478 HydrophobicContact CD1-CD1 4.08Å; Y415-Y478 AromaticContact CD1-CG 3.9Å; Y415-Y478 HydrophobicContact CD1-CG 3.9Å; Y415-Y478 AromaticContact CE1-CD1 3.55Å; Y415-Y478 HydrophobicContact CE1-CD1 3.55Å; Y415-Y478 HydrophobicContact CE1-CE1 4.02Å; Y415-Y478 AromaticContact CE1-CG 3.85Å; Y415-Y478 HydrophobicContact CE1-CG 3.85Å; Y415-Q481 HydrophobicContact CD1-CB 4.04Å; Y415-Q481 HydrophobicContact CD2-CB 3.66Å; Y415-Q481 HydrophobicContact CE1-CB 3.95Å; Y415-Q481 HydrophobicContact CE1-CG 4.15Å; Y415-Q481 HydrophobicContact CE2-CB 3.57Å; Y415-Q481 HydrophobicContact CE2-CG 4.12Å; Y415-Q481 HydrophobicContact CG-CB 3.9Å; Y415-L485 HydrophobicContact CD2-CD1 4.08Å
416E84.7Confident81.2Confident77 Ų7758.4 Ų58.436%0.3630%0.302SS..  trans-117112.3170.8-65.6-166.1-110.400111.2R418 F419 W420E416-R418 HydrophobicContact CB-CG 4.21Å; E416-R418 VanDerWaalsContact CD-NH2 3.33Å; E416-R418 PolarHBondContact O-N 3.44Å; E416-R418 IonicContact OE1-CZ 3.42Å; E416-R418 IonicContact OE1-NE 2.66Å; E416-R418 IonicContact OE1-NH2 2.62Å; E416-R418 PolarHBondContact OE1-NH2 3.41Å; E416-R418 IonicContact OE2-CZ 3.48Å; E416-R418 IonicContact OE2-NE 3.47Å; E416-R418 PolarHBondContact OE2-NE 2.99Å; E416-R418 IonicContact OE2-NH2 2.71Å; E416-R418 PolarHBondContact OE2-NH2 3.35Å; E416-F419 HydrophobicContact CB-CD2 3.68Å; E416-F419 HydrophobicContact CB-CE2 3.69Å; E416-F419 HydrophobicContact CG-CE2 4.13Å; E416-F419 PolarHBondContact O-N 3.17Å; E416-F419 VanDerWaalsContact O-N 3.09Å; E416-F419 WeakPolarHBondContact OE1-CE2 3.43Å; E416-W420 VanDerWaalsContact O-CE3 3.29Å; E416-W420 VanDerWaalsContact O-CZ3 3.23Å; E416-W420 WeakPolarHBondContact O-CZ3 3.5Å
417R85.4Confident83.1Confident77 Ų7755.3 Ų55.329%0.29129%0.286SS..G310 helixtrans-50.4-25.4-177.2176.355.6-176.462.216.2115.2Y415 F419 W420 D422 Y478Y415-R417 HydrophobicContact CE1-CB 4.1Å; Y415-R417 WeakPolarHBondContact OH-CD 3.45Å; R417-F419 PolarHBondContact O-N 3.12Å; R417-W420 PolarHBondContact NH1-O 2.86Å; R417-W420 VanDerWaalsContact NH1-O 3.16Å; R417-W420 PolarHBondContact O-N 3.36Å; R417-D422 IonicContact CZ-OD1 2.71Å; R417-D422 IonicContact NH1-OD1 3.53Å; R417-D422 PolarHBondContact NH1-OD1 2.8Å; R417-D422 VanDerWaalsContact NH2-CA 3.28Å; R417-D422 PolarHBondContact NH2-O 2.78Å; R417-D422 IonicContact NH2-OD1 2.67Å; R417-D422 PolarHBondContact NH2-OD1 3.18Å; R417-Y478 HydrophobicContact CB-CE1 4.32Å
418R82.5Confident84.4Confident157 Ų15754.4 Ų54.459%0.59228%0.281SS*.G310 helixtrans-65.3-19.7-179.764.8175.6168.2151.63.6114.6E416 W420E416-R418 HydrophobicContact CB-CG 4.21Å; E416-R418 VanDerWaalsContact CD-NH2 3.33Å; E416-R418 PolarHBondContact O-N 3.44Å; E416-R418 IonicContact OE1-CZ 3.42Å; E416-R418 IonicContact OE1-NE 2.66Å; E416-R418 IonicContact OE1-NH2 2.62Å; E416-R418 PolarHBondContact OE1-NH2 3.41Å; E416-R418 IonicContact OE2-CZ 3.48Å; E416-R418 IonicContact OE2-NE 3.47Å; E416-R418 PolarHBondContact OE2-NE 2.99Å; E416-R418 IonicContact OE2-NH2 2.71Å; E416-R418 PolarHBondContact OE2-NH2 3.35Å; R418-W420 VanDerWaalsContact C-N 3.32Å
419F84.3Confident84.7Confident84 Ų8457.5 Ų57.537%0.36830%0.296SS..G310 helixtrans-89.13.6-178.5-59.8-57000114.2E416 R417 K497 V498E416-F419 HydrophobicContact CB-CD2 3.68Å; E416-F419 HydrophobicContact CB-CE2 3.69Å; E416-F419 HydrophobicContact CG-CE2 4.13Å; E416-F419 PolarHBondContact O-N 3.17Å; E416-F419 VanDerWaalsContact O-N 3.09Å; E416-F419 WeakPolarHBondContact OE1-CE2 3.43Å; R417-F419 PolarHBondContact O-N 3.12Å; F419-K497 HydrophobicContact CB-CG 4.4Å; F419-K497 WeakPolarHBondContact O-CA 3.46Å; F419-V498 PolarHBondContact O-N 2.96Å; F419-V498 VanDerWaalsContact O-N 3.12Å
420W85.9Confident85.1Confident6 Ų658 Ų582%0.02330%0.298CS..SBendtrans-121.4150.5177.4-75-87.6000110.8Y415 E416 R417 R418 T425 P427 L485 N495 G496 K497Y415-W420 HydrophobicContact CD2-CE3 4.04Å; Y415-W420 AromaticContact CD2-CH2 3.76Å; Y415-W420 HydrophobicContact CD2-CH2 3.76Å; Y415-W420 HydrophobicContact CD2-CZ2 4.44Å; Y415-W420 AromaticContact CD2-CZ3 3.54Å; Y415-W420 HydrophobicContact CD2-CZ3 3.54Å; Y415-W420 AromaticContact CE2-CD2 3.94Å; Y415-W420 HydrophobicContact CE2-CD2 3.94Å; Y415-W420 AromaticContact CE2-CE3 3.48Å; Y415-W420 HydrophobicContact CE2-CE3 3.48Å; Y415-W420 VanDerWaalsContact CE2-CE3 3.48Å; Y415-W420 AromaticContact CE2-CH2 3.97Å; Y415-W420 HydrophobicContact CE2-CH2 3.97Å; Y415-W420 HydrophobicContact CE2-CZ2 4.39Å; Y415-W420 AromaticContact CE2-CZ3 3.5Å; Y415-W420 HydrophobicContact CE2-CZ3 3.5Å; Y415-W420 VanDerWaalsContact CE2-CZ3 3.5Å; Y415-W420 HydrophobicContact CG-CZ3 4.49Å; E416-W420 VanDerWaalsContact O-CE3 3.29Å; E416-W420 VanDerWaalsContact O-CZ3 3.23Å; E416-W420 WeakPolarHBondContact O-CZ3 3.5Å; R417-W420 PolarHBondContact NH1-O 2.86Å; R417-W420 VanDerWaalsContact NH1-O 3.16Å; R417-W420 PolarHBondContact O-N 3.36Å; R418-W420 VanDerWaalsContact C-N 3.32Å; W420-T425 VanDerWaalsContact CD1-O 3.31Å; W420-P427 HydrophobicContact CD2-CG 4.31Å; W420-P427 HydrophobicContact CZ2-CG 3.84Å; W420-L485 HydrophobicContact CH2-CD1 3.76Å; W420-L485 HydrophobicContact CH2-CD2 4.12Å; W420-L485 HydrophobicContact CZ2-CD1 4.1Å; W420-L485 HydrophobicContact CZ2-CD2 3.57Å; W420-L485 HydrophobicContact CZ2-CG 4.43Å; W420-N495 PolarHBondContact NE1-O 3.26Å; W420-G496 VanDerWaalsContact CD1-O 3.29Å; W420-K497 HydrophobicContact CD2-CG 4.37Å; W420-K497 HydrophobicContact CH2-CD 4.18Å; W420-K497 HydrophobicContact CH2-CG 3.83Å; W420-K497 HydrophobicContact CZ2-CD 4.04Å; W420-K497 HydrophobicContact CZ2-CG 3.31Å
421P80.3Confident85.4Confident41 Ų4156.6 Ų56.627%0.26629%0.29SS..  trans-56154.5176.8-23.735.3000112H423 V498P421-H423 PolarHBondContact O-N 3.15Å; P421-V498 HydrophobicContact CG-CG2 3.86Å
422D74.2Confident86Confident119 Ų11963.4 Ų63.464%0.63631%0.313SS*.SBendtrans-67.5-26.1-178-79.3-31000114R417R417-D422 IonicContact CZ-OD1 2.71Å; R417-D422 IonicContact NH1-OD1 3.53Å; R417-D422 PolarHBondContact NH1-OD1 2.8Å; R417-D422 VanDerWaalsContact NH2-CA 3.28Å; R417-D422 PolarHBondContact NH2-O 2.78Å; R417-D422 IonicContact NH2-OD1 2.67Å; R417-D422 PolarHBondContact NH2-OD1 3.18Å
423H71.3Confident86.2Confident168 Ų16867 Ų6778%0.77832%0.324SS*.SBendtrans-136.8149.9179.6-54.9-62.8000110.6P421 T425P421-H423 PolarHBondContact O-N 3.15Å; H423-T425 PolarHBondContact O-N 3.18Å
424G66.1Low86.4Confident47 Ų4767.6 Ų67.649%0.48533%0.326SS..SBendtrans90.3-34.1161.200000117.7Q429G424-Q429 VanDerWaalsContact C-OE1 3.28Å; G424-Q429 PolarHBondContact O-NE2 3.48Å; G424-Q429 PolarHBondContact O-OE1 3.4Å
425T83.7Confident86.9Confident41 Ų4165.1 Ų65.125%0.25231%0.31SS..  trans-130.549.5-164.1-28.80000114.1W420 H423 I430W420-T425 VanDerWaalsContact CD1-O 3.31Å; H423-T425 PolarHBondContact O-N 3.18Å; T425-I430 HydrophobicContact CG2-CD1 4.3Å; T425-I430 HydrophobicContact CG2-CG1 4.42Å
426S92.1Very high87.1Confident24 Ų2472.5 Ų72.517%0.16834%0.342CS..  trans-80.7154.8174.467.30000112.3K428 Q429 I430 Q481S426-K428 VanDerWaalsContact C-N 3.26Å; S426-K428 PolarHBondContact O-N 3.47Å; S426-Q429 WeakPolarHBondContact O-CA 3.34Å; S426-Q429 WeakPolarHBondContact O-CB 3.33Å; S426-Q429 PolarHBondContact O-N 3.32Å; S426-Q429 PolarHBondContact OG-OE1 3.05Å; S426-I430 PolarHBondContact O-N 3.46Å; S426-I430 VanDerWaalsContact O-N 3.12Å; S426-Q481 PolarHBondContact OG-NE2 3.02Å
427P95.7Very high87.4Confident0 Ų075.5 Ų75.50%036%0.36CS..Hα-helixtrans-48.7-45.9176-29.934.1000113.3Y415 W420 Q429 I430 L431 V484 L485 L488Y415-P427 HydrophobicContact CE2-CG 4.13Å; W420-P427 HydrophobicContact CD2-CG 4.31Å; W420-P427 HydrophobicContact CZ2-CG 3.84Å; P427-Q429 VanDerWaalsContact C-N 3.28Å; P427-Q429 PolarHBondContact O-N 3.23Å; P427-I430 PolarHBondContact O-N 2.94Å; P427-L431 PolarHBondContact O-N 3.17Å; P427-V484 VanDerWaalsContact C-CG1 3.47Å; P427-V484 HydrophobicContact CB-CB 4.16Å; P427-V484 HydrophobicContact CB-CG1 3.81Å; P427-V484 VanDerWaalsContact O-CG1 3.28Å; P427-V484 WeakPolarHBondContact O-CG1 3Å; P427-L485 HydrophobicContact CB-CD2 3.89Å; P427-L485 HydrophobicContact CB-CG 4.48Å; P427-L485 HydrophobicContact CG-CD2 3.61Å; P427-L485 HydrophobicContact CG-CG 4.32Å; P427-L488 HydrophobicContact CB-CD1 4.13Å
428K96.2Very high87.6Confident53 Ų5375.5 Ų75.523%0.2337%0.365CS..Hα-helixtrans-58.4-35.5175.8-74.2-172.974.9172.80113.9S426 R432 Y445 E480 Q481 V484S426-K428 VanDerWaalsContact C-N 3.26Å; S426-K428 PolarHBondContact O-N 3.47Å; K428-R432 VanDerWaalsContact O-CB 3.3Å; K428-R432 WeakPolarHBondContact O-CB 3.49Å; K428-R432 PolarHBondContact O-N 3.1Å; K428-R432 VanDerWaalsContact O-N 3.09Å; K428-Y445 VanDerWaalsContact CE-CZ 3.45Å; K428-Y445 WeakPolarHBondContact CE-OH 3.4Å; K428-E480 HydrophobicContact CD-CB 4Å; K428-E480 IonicContact NZ-OE2 2.74Å; K428-E480 PolarHBondContact NZ-OE2 3.39Å; K428-Q481 HydrophobicContact CD-CG 4.43Å; K428-Q481 HydrophobicContact CG-CG 4.38Å; K428-V484 HydrophobicContact CG-CG2 3.9Å
429Q93.3Very high88Confident74 Ų7477.1 Ų77.135%0.34638%0.377SS..Hα-helixtrans-70.3-45.8177.7-76169.7-69.700110.9G424 S426 P427 L431 R432 E433G424-Q429 VanDerWaalsContact C-OE1 3.28Å; G424-Q429 PolarHBondContact O-NE2 3.48Å; G424-Q429 PolarHBondContact O-OE1 3.4Å; S426-Q429 WeakPolarHBondContact O-CA 3.34Å; S426-Q429 WeakPolarHBondContact O-CB 3.33Å; S426-Q429 PolarHBondContact O-N 3.32Å; S426-Q429 PolarHBondContact OG-OE1 3.05Å; P427-Q429 VanDerWaalsContact C-N 3.28Å; P427-Q429 PolarHBondContact O-N 3.23Å; Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 2.88Å; Q429-R432 WeakPolarHBondContact O-CB 3.4Å; Q429-R432 PolarHBondContact O-N 3.38Å; Q429-R432 VanDerWaalsContact O-N 3.11Å; Q429-E433 WeakPolarHBondContact O-CG 3.37Å; Q429-E433 PolarHBondContact O-N 3.11Å
430I94.2Very high88.4Confident26 Ų2676.5 Ų76.513%0.13337%0.372CS..Hα-helixtrans-56.5-49.4177.2-61.4167.6000110.3T425 S426 P427 R432 E433 H434 L488 I493 N495T425-I430 HydrophobicContact CG2-CD1 4.3Å; T425-I430 HydrophobicContact CG2-CG1 4.42Å; S426-I430 PolarHBondContact O-N 3.46Å; S426-I430 VanDerWaalsContact O-N 3.12Å; P427-I430 PolarHBondContact O-N 2.94Å; I430-R432 VanDerWaalsContact C-N 3.32Å; I430-R432 PolarHBondContact O-N 2.73Å; I430-E433 PolarHBondContact O-N 3.49Å; I430-H434 WeakPolarHBondContact O-CB 3.44Å; I430-H434 PolarHBondContact O-N 3.06Å; I430-L488 HydrophobicContact CB-CD1 4.36Å; I430-L488 HydrophobicContact CG2-CD1 4.26Å; I430-L488 HydrophobicContact CG2-CD2 4.09Å; I430-I493 HydrophobicContact CG2-CG2 3.86Å; I430-N495 WeakPolarHBondContact CD1-O 3.45Å
431L95.6Very high88.8Confident0 Ų082.6 Ų82.60%041%0.405CS..Hα-helixtrans-62.1-40.6178.4-178.765.1000112.1P427 Q429 H434 C435 P443 V460 V462 V484 L488P427-L431 PolarHBondContact O-N 3.17Å; Q429-L431 VanDerWaalsContact C-N 3.33Å; Q429-L431 PolarHBondContact O-N 2.88Å; L431-H434 PolarHBondContact O-N 3.07Å; L431-C435 PolarHBondContact O-N 3.31Å; L431-C435 PolarHBondContact O-SG 3.44Å; L431-P443 HydrophobicContact CD2-CB 4.02Å; L431-P443 HydrophobicContact CD2-CG 3.8Å; L431-P443 HydrophobicContact CG-CG 3.84Å; L431-V460 HydrophobicContact CD2-CG2 4.06Å; L431-V462 HydrophobicContact CD1-CG1 4.43Å; L431-V462 HydrophobicContact CD1-CG2 4.21Å; L431-V462 HydrophobicContact CD2-CG2 3.83Å; L431-V462 HydrophobicContact CG-CG2 4.4Å; L431-V484 HydrophobicContact CB-CG1 3.6Å; L431-V484 HydrophobicContact CD2-CB 4.24Å; L431-V484 HydrophobicContact CD2-CG1 3.76Å; L431-V484 HydrophobicContact CD2-CG2 3.6Å; L431-V484 HydrophobicContact CG-CG1 4.26Å; L431-L488 HydrophobicContact CB-CD2 4.17Å; L431-L488 HydrophobicContact CD1-CD2 4.22Å
432R94.5Very high89.4Confident176 Ų17684.7 Ų84.766%0.66442%0.421SS*.Hα-helixtrans-64.2-41.7178.4-178.7179.9174.2173.4-1.3111.8K428 Q429 I430 K436K428-R432 VanDerWaalsContact O-CB 3.3Å; K428-R432 WeakPolarHBondContact O-CB 3.49Å; K428-R432 PolarHBondContact O-N 3.1Å; K428-R432 VanDerWaalsContact O-N 3.09Å; Q429-R432 WeakPolarHBondContact O-CB 3.4Å; Q429-R432 PolarHBondContact O-N 3.38Å; Q429-R432 VanDerWaalsContact O-N 3.11Å; I430-R432 VanDerWaalsContact C-N 3.32Å; I430-R432 PolarHBondContact O-N 2.73Å; R432-K436 WeakPolarHBondContact O-CB 3.4Å; R432-K436 PolarHBondContact O-N 3.26Å; R432-K436 VanDerWaalsContact O-N 3.08Å
433E91.7Very high90.4Very high128 Ų12879.9 Ų79.960%0.59840%0.396SS*.Hα-helixtrans-65.4-42.6176-74173.2-171.100111.2Q429 I430 K436 L437Q429-E433 WeakPolarHBondContact O-CG 3.37Å; Q429-E433 PolarHBondContact O-N 3.11Å; I430-E433 PolarHBondContact O-N 3.49Å; E433-K436 WeakPolarHBondContact O-CB 3.42Å; E433-K436 PolarHBondContact O-N 3.18Å; E433-L437 PolarHBondContact O-N 3.48Å
434H90.8Very high91.7Very high48 Ų4878.1 Ų78.122%0.22239%0.386CS..Hα-helixtrans-61.4-46.4175.4-170.683.7000112.5I430 L431 K436 L437 L438 I493I430-H434 WeakPolarHBondContact O-CB 3.44Å; I430-H434 PolarHBondContact O-N 3.06Å; L431-H434 PolarHBondContact O-N 3.07Å; H434-K436 VanDerWaalsContact C-N 3.29Å; H434-K436 PolarHBondContact O-N 2.92Å; H434-L437 WeakPolarHBondContact O-CB 3.34Å; H434-L437 PolarHBondContact O-N 3.5Å; H434-L437 VanDerWaalsContact O-N 3.14Å; H434-L438 WeakPolarHBondContact NE2-CD1 3.42Å; H434-L438 PolarHBondContact O-N 3.22Å; H434-I493 HydrophobicContact CB-CD1 4.33Å; H434-I493 VanDerWaalsContact CD2-CD1 3.48Å; H434-I493 WeakPolarHBondContact CD2-CD1 3.48Å; H434-I493 WeakPolarHBondContact NE2-CD1 3.45Å
435C94.8Very high93.2Very high2 Ų279 Ų791%0.01438%0.375CS..Hα-helixtrans-60.4-41176.1-65.20000111.5L431 L437 L438 K439 W440L431-C435 PolarHBondContact O-N 3.31Å; L431-C435 PolarHBondContact O-SG 3.44Å; C435-L437 VanDerWaalsContact C-N 3.34Å; C435-L437 PolarHBondContact O-N 3.34Å; C435-L438 PolarHBondContact O-N 2.98Å; C435-K439 PolarHBondContact O-N 3.11Å; C435-W440 HydrophobicContact CB-CB 4.16Å; C435-W440 PolarHBondContact O-N 2.9Å
436K92.3Very high93.8Very high175 Ų17581.6 Ų81.676%0.76139%0.385SS*.Hα-helixtrans-62.7-41.3176-173.2-176.6178-172.50111.7R432 E433 H434 K439R432-K436 WeakPolarHBondContact O-CB 3.4Å; R432-K436 PolarHBondContact O-N 3.26Å; R432-K436 VanDerWaalsContact O-N 3.08Å; E433-K436 WeakPolarHBondContact O-CB 3.42Å; E433-K436 PolarHBondContact O-N 3.18Å; H434-K436 VanDerWaalsContact C-N 3.29Å; H434-K436 PolarHBondContact O-N 2.92Å; K436-K439 PolarHBondContact O-N 3.19Å
437L90Very high94Very high139 Ų13982.2 Ų82.273%0.72839%0.387SS*.Hα-helixtrans-62.7-42.4178.7-174.468000111.6E433 H434 C435 K439E433-L437 PolarHBondContact O-N 3.48Å; H434-L437 WeakPolarHBondContact O-CB 3.34Å; H434-L437 PolarHBondContact O-N 3.5Å; H434-L437 VanDerWaalsContact O-N 3.14Å; C435-L437 VanDerWaalsContact C-N 3.34Å; C435-L437 PolarHBondContact O-N 3.34Å; L437-K439 VanDerWaalsContact C-N 3.29Å; L437-K439 PolarHBondContact O-N 3.44Å
438L90.2Very high93.9Very high78 Ų7887.4 Ų87.441%0.40841%0.414SS..THydrogen-bonded Turntrans-84.61.6178.9-63.6-175000114.1H434 C435 W440H434-L438 WeakPolarHBondContact NE2-CD1 3.42Å; H434-L438 PolarHBondContact O-N 3.22Å; C435-L438 PolarHBondContact O-N 2.98Å; L438-W440 HydrophobicContact CB-CD2 3.92Å; L438-W440 HydrophobicContact CB-CG 3.99Å; L438-W440 HydrophobicContact CD1-CD2 4.03Å; L438-W440 HydrophobicContact CD1-CE3 4.1Å; L438-W440 HydrophobicContact CD1-CH2 3.61Å; L438-W440 HydrophobicContact CD1-CZ2 3.53Å; L438-W440 HydrophobicContact CD1-CZ3 3.9Å; L438-W440 PolarHBondContact O-N 2.77Å
439K91.5Very high93.8Very high191 Ų19189.4 Ų89.483%0.8342%0.424SS*.THydrogen-bonded Turntrans54.730.7-173.6-54.9-179.7-179.7177.70113.1C435 K436 L437C435-K439 PolarHBondContact O-N 3.11Å; K436-K439 PolarHBondContact O-N 3.19Å; L437-K439 VanDerWaalsContact C-N 3.29Å; L437-K439 PolarHBondContact O-N 3.44Å
440W92.5Very high93.5Very high70 Ų7088 Ų8827%0.26542%0.419SS..PPolyproline II helixtrans-76.4155.8169.6-66.9-14.3000110.5C435 L438 V462 D463 L491C435-W440 HydrophobicContact CB-CB 4.16Å; C435-W440 PolarHBondContact O-N 2.9Å; L438-W440 HydrophobicContact CB-CD2 3.92Å; L438-W440 HydrophobicContact CB-CG 3.99Å; L438-W440 HydrophobicContact CD1-CD2 4.03Å; L438-W440 HydrophobicContact CD1-CE3 4.1Å; L438-W440 HydrophobicContact CD1-CH2 3.61Å; L438-W440 HydrophobicContact CD1-CZ2 3.53Å; L438-W440 HydrophobicContact CD1-CZ3 3.9Å; L438-W440 PolarHBondContact O-N 2.77Å; W440-V462 HydrophobicContact CE3-CG1 3.65Å; W440-V462 HydrophobicContact CZ3-CG1 3.81Å; W440-D463 HydrophobicContact CD2-CB 3.8Å; W440-D463 HydrophobicContact CE3-CB 3.89Å; W440-D463 HydrophobicContact CG-CB 4.37Å; W440-D463 HydrophobicContact CH2-CB 4.04Å; W440-D463 HydrophobicContact CZ2-CB 3.94Å; W440-D463 VanDerWaalsContact CZ2-OD2 3.26Å; W440-D463 WeakPolarHBondContact CZ2-OD2 3.47Å; W440-D463 HydrophobicContact CZ3-CB 4.02Å; W440-L491 HydrophobicContact CZ3-CD1 4.32Å
441D93.2Very high93.1Very high134 Ų13496.3 Ų96.372%0.71745%0.449SS*.PPolyproline II helixtrans-56.8150.9169.4-77.6-24.4000111
442S93.3Very high92.3Very high86 Ų86104 Ų10460%0.60149%0.489SS*.PPolyproline II helixtrans-60.7138.6176.4-70.10000111K444S442-K444 PolarHBondContact O-N 2.92Å
443P96.4Very high91.5Very high18 Ų18101.2 Ų101.212%0.11748%0.482CS..PPolyproline II helixtrans-55133.9180-25.932.7000112.3L431 Y445 V460 V462L431-P443 HydrophobicContact CD2-CB 4.02Å; L431-P443 HydrophobicContact CD2-CG 3.8Å; L431-P443 HydrophobicContact CG-CG 3.84Å; P443-Y445 HydrophobicContact CB-CE2 3.99Å; P443-Y445 WeakPolarHBondContact O-CE2 3.4Å; P443-V460 HydrophobicContact CB-CG2 3.76Å; P443-V462 HydrophobicContact CB-CG2 4.12Å; P443-V462 HydrophobicContact CG-CG2 4.34Å
444K97Very high91.2Very high131 Ų131104.7 Ų104.757%0.5749%0.49SS*.EExtended strand (participates in β ladder)trans-105.4142.8176.2-64.9175.6-175.7168.50109.8S442 V460 L461S442-K444 PolarHBondContact O-N 2.92Å; K444-V460 CarbonylContact O-C 3.59Å; K444-V460 WeakPolarHBondContact O-CA 3.24Å; K444-L461 HydrophobicContact CB-CB 4.33Å; K444-L461 PolarHBondContact N-O 3.43Å; K444-L461 VanDerWaalsContact N-O 3.14Å; K444-L461 PolarHBondContact O-N 2.75Å
445Y97.5Very high91.1Very high64 Ų64102.9 Ų102.925%0.25148%0.482SS..EExtended strand (participates in β ladder)trans-122135.6-173.9-61-87.9000111.1K428 P443 T459 V460 E480 V484K428-Y445 VanDerWaalsContact CE-CZ 3.45Å; K428-Y445 WeakPolarHBondContact CE-OH 3.4Å; P443-Y445 HydrophobicContact CB-CE2 3.99Å; P443-Y445 WeakPolarHBondContact O-CE2 3.4Å; Y445-T459 WeakPolarHBondContact CA-O 3.37Å; Y445-V460 HydrophobicContact CD1-CB 3.87Å; Y445-V460 HydrophobicContact CD1-CG2 3.8Å; Y445-V460 HydrophobicContact CE1-CB 3.73Å; Y445-V460 HydrophobicContact CE1-CG2 3.37Å; Y445-V460 HydrophobicContact CE2-CG2 4.49Å; Y445-E480 HydrophobicContact CD1-CB 3.94Å; Y445-E480 HydrophobicContact CD1-CG 3.86Å; Y445-E480 HydrophobicContact CE1-CB 4.18Å; Y445-E480 HydrophobicContact CG-CG 4.13Å; Y445-V484 HydrophobicContact CE1-CG2 3.72Å; Y445-V484 WeakPolarHBondContact OH-CG2 3.46Å
446E96.8Very high91.1Very high97 Ų97104.7 Ų104.745%0.45349%0.49SS..EExtended strand (participates in β ladder)trans-118.4130.9168.2-174.6177.1-170.800107.7S458 T459 R466E446-S458 CarbonylContact O-C 3.42Å; E446-S458 WeakPolarHBondContact O-CA 3.44Å; E446-S458 WeakPolarHBondContact O-CB 3.27Å; E446-T459 PolarHBondContact N-O 2.96Å; E446-T459 PolarHBondContact O-N 3.2Å; E446-R466 IonicContact OE2-CZ 3.42Å; E446-R466 IonicContact OE2-NH1 3.52Å; E446-R466 PolarHBondContact OE2-NH1 2.77Å; E446-R466 IonicContact OE2-NH2 2.87Å; E446-R466 PolarHBondContact OE2-NH2 3.24Å
447T96.5Very high91.2Very high36 Ų3698.9 Ų98.922%0.22147%0.465CS..EExtended strand (participates in β ladder)trans-127.3129.1-179.1-54.80000109.6F456 F457 S458 K476T447-F456 HydrophobicContact CG2-CB 4.23Å; T447-F456 HydrophobicContact CG2-CD1 4.12Å; T447-F457 CarbonylContact C-O 3.58Å; T447-F457 VanDerWaalsContact CA-O 3.26Å; T447-F457 WeakPolarHBondContact CA-O 3.43Å; T447-F457 WeakPolarHBondContact CG2-O 3.35Å; T447-S458 WeakPolarHBondContact CB-OG 3.3Å; T447-S458 WeakPolarHBondContact CG2-OG 3.49Å; T447-S458 PolarHBondContact OG1-OG 3.46Å; T447-K476 HydrophobicContact CG2-CB 4.09Å; T447-K476 HydrophobicContact CG2-CD 4.23Å; T447-K476 HydrophobicContact CG2-CG 3.87Å; T447-K476 WeakPolarHBondContact OG1-CE 3.3Å
448I93.8Very high91.5Very high110 Ų11092.3 Ų92.356%0.56443%0.431SS*.EExtended strand (participates in β ladder)trans-105.6137.6173.1-57.4171000107.9F456 F457I448-F456 WeakPolarHBondContact O-CA 3.43Å; I448-F457 PolarHBondContact N-O 3.48Å; I448-F457 PolarHBondContact O-N 3.25Å
449E94Very high91.9Very high94 Ų9489 Ų8944%0.43941%0.414SS..EExtended strand (participates in β ladder)trans-106.4122.4173.1-179.5179.4-170.800108.9R451 S455 F456E449-R451 HydrophobicContact CG-CG 4.3Å; E449-R451 PolarHBondContact O-N 3.43Å; E449-S455 CarbonylContact C-O 3.59Å; E449-S455 WeakPolarHBondContact CA-O 3.44Å; E449-F456 HydrophobicContact CB-CD1 4.01Å; E449-F456 HydrophobicContact CB-CE1 3.89Å; E449-F456 HydrophobicContact CG-CD1 4.14Å; E449-F456 HydrophobicContact CG-CE1 3.7Å; E449-F456 HydrophobicContact CG-CZ 3.99Å
450D88Confident92.2Very high44 Ų4480 Ų8024%0.23538%0.375CS..EExtended strand (participates in β ladder)trans-83.2105.8163.6-179.3-24.9000107.1D452 K453 R454 S455 F457D450-D452 VanDerWaalsContact C-N 3.33Å; D450-D452 PolarHBondContact OD1-N 2.75Å; D450-D452 VanDerWaalsContact OD1-N 3.08Å; D450-K453 HydrophobicContact CB-CB 4.39Å; D450-K453 PolarHBondContact OD1-N 3.29Å; D450-K453 WeakPolarHBondContact OD2-CD 3.46Å; D450-K453 WeakPolarHBondContact OD2-CG 3.31Å; D450-R454 CarbonylContact O-C 3.58Å; D450-R454 WeakPolarHBondContact O-CA 3.49Å; D450-R454 PolarHBondContact O-N 3.43Å; D450-S455 PolarHBondContact N-O 3.19Å; D450-S455 PolarHBondContact O-N 3.49Å; D450-S455 VanDerWaalsContact O-N 3.09Å; D450-F457 HydrophobicContact CB-CE2 4.05Å
451R84.2Confident92.4Very high202 Ų20279.5 Ų79.576%0.76238%0.377SS*.THydrogen-bonded Turntrans-72.1-28.9-175.5-68.6-171.8179.4-151.71.2112.7E449E449-R451 HydrophobicContact CG-CG 4.3Å; E449-R451 PolarHBondContact O-N 3.43Å
452D78.9Confident92.4Very high160 Ų16073.3 Ų73.386%0.85634%0.344SS*.THydrogen-bonded Turntrans-72.8-42.3-179.4-60.8-35.3000109.5D450D450-D452 VanDerWaalsContact C-N 3.33Å; D450-D452 PolarHBondContact OD1-N 2.75Å; D450-D452 VanDerWaalsContact OD1-N 3.08Å
453K78.2Confident92.2Very high118 Ų11874 Ų7451%0.51334%0.341SS..THydrogen-bonded Turntrans-90.8-5.7177.9-58.7-173.4-174.7-177.90114.1D450 S455D450-K453 HydrophobicContact CB-CB 4.39Å; D450-K453 PolarHBondContact OD1-N 3.29Å; D450-K453 WeakPolarHBondContact OD2-CD 3.46Å; D450-K453 WeakPolarHBondContact OD2-CG 3.31Å; K453-S455 PolarHBondContact O-N 2.87Å
454R85.5Confident91.8Very high202 Ų20275.2 Ų75.276%0.76236%0.357SS*.THydrogen-bonded Turntrans50.738.4-174-59.1175.562.8-172.61.7112.6D450D450-R454 CarbonylContact O-C 3.58Å; D450-R454 WeakPolarHBondContact O-CA 3.49Å; D450-R454 PolarHBondContact O-N 3.43Å
455S88.6Confident91.4Very high9 Ų974.1 Ų74.16%0.06335%0.35CS..EExtended strand (participates in β ladder)trans-116.6155.3-176.560.70000111E449 D450 K453 F457 C473E449-S455 CarbonylContact C-O 3.59Å; E449-S455 WeakPolarHBondContact CA-O 3.44Å; D450-S455 PolarHBondContact N-O 3.19Å; D450-S455 PolarHBondContact O-N 3.49Å; D450-S455 VanDerWaalsContact O-N 3.09Å; K453-S455 PolarHBondContact O-N 2.87Å; S455-F457 VanDerWaalsContact OG-CE2 3.32Å; S455-F457 WeakPolarHBondContact OG-CE2 3.38Å; S455-C473 WeakPolarHBondContact CA-O 3.37Å
456F94.4Very high91.3Very high40 Ų4074.5 Ų74.518%0.17535%0.351CS..EExtended strand (participates in β ladder)trans-122.6137.2-175.5-61.9-96.1000109.2T447 I448 E449 C473 K476 A479T447-F456 HydrophobicContact CG2-CB 4.23Å; T447-F456 HydrophobicContact CG2-CD1 4.12Å; I448-F456 WeakPolarHBondContact O-CA 3.43Å; E449-F456 HydrophobicContact CB-CD1 4.01Å; E449-F456 HydrophobicContact CB-CE1 3.89Å; E449-F456 HydrophobicContact CG-CD1 4.14Å; E449-F456 HydrophobicContact CG-CE1 3.7Å; E449-F456 HydrophobicContact CG-CZ 3.99Å; F456-C473 WeakPolarHBondContact CD2-O 3.4Å; F456-C473 PolarHBondContact N-O 3.31Å; F456-C473 WeakPolarHBondContact O-CB 3.5Å; F456-C473 PolarHBondContact O-N 2.92Å; F456-C473 VanDerWaalsContact O-N 3.14Å; F456-K476 HydrophobicContact CD1-CB 4.05Å; F456-K476 HydrophobicContact CE1-CB 4.45Å; F456-A479 HydrophobicContact CB-CB 3.76Å; F456-A479 WeakPolarHBondContact O-CB 3.44Å
457F94.2Very high91.3Very high53 Ų5370.1 Ų70.123%0.23233%0.33CS..EExtended strand (participates in β ladder)trans-126.4140.7175.9-55.4-89.1000107.8T447 I448 D450 S455 T470 A472T447-F457 CarbonylContact C-O 3.58Å; T447-F457 VanDerWaalsContact CA-O 3.26Å; T447-F457 WeakPolarHBondContact CA-O 3.43Å; T447-F457 WeakPolarHBondContact CG2-O 3.35Å; I448-F457 PolarHBondContact N-O 3.48Å; I448-F457 PolarHBondContact O-N 3.25Å; D450-F457 HydrophobicContact CB-CE2 4.05Å; S455-F457 VanDerWaalsContact OG-CE2 3.32Å; S455-F457 WeakPolarHBondContact OG-CE2 3.38Å; F457-T470 VanDerWaalsContact CE1-O 3.31Å; F457-T470 WeakPolarHBondContact CE1-O 3.34Å; F457-A472 HydrophobicContact CE1-CB 3.94Å; F457-A472 HydrophobicContact CZ-CB 3.86Å
458S97.4Very high91.2Very high1 Ų171.2 Ų71.21%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-132.2152.6179.2-62.20000112.1E446 T447 N469 A479 E480 A483E446-S458 CarbonylContact O-C 3.42Å; E446-S458 WeakPolarHBondContact O-CA 3.44Å; E446-S458 WeakPolarHBondContact O-CB 3.27Å; T447-S458 WeakPolarHBondContact CB-OG 3.3Å; T447-S458 WeakPolarHBondContact CG2-OG 3.49Å; T447-S458 PolarHBondContact OG1-OG 3.46Å; S458-N469 PolarHBondContact O-N 3.34Å; S458-A479 WeakPolarHBondContact OG-CB 3.46Å; S458-E480 PolarHBondContact OG-N 2.97Å; S458-A483 VanDerWaalsContact O-CB 3.24Å; S458-A483 WeakPolarHBondContact O-CB 3.25Å
459T97.3Very high91.1Very high10 Ų1066 Ų666%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-119.3134.1170.3-57.30000108.1Y445 E446 R466 Y467 R468Y445-T459 WeakPolarHBondContact CA-O 3.37Å; E446-T459 PolarHBondContact N-O 2.96Å; E446-T459 PolarHBondContact O-N 3.2Å; T459-R466 HydrophobicContact CG2-CB 3.84Å; T459-R466 HydrophobicContact CG2-CG 4.32Å; T459-Y467 CarbonylContact C-O 3.58Å; T459-Y467 VanDerWaalsContact CA-O 3.26Å; T459-Y467 WeakPolarHBondContact CA-O 3.46Å; T459-R468 HydrophobicContact CG2-CB 4.18Å; T459-R468 WeakPolarHBondContact OG1-CB 3.47Å; T459-R468 WeakPolarHBondContact OG1-CD 3.44Å; T459-R468 WeakPolarHBondContact OG1-CG 3.48Å
460V97.7Very high90.7Very high0 Ų064.2 Ų64.20%030%0.299CS..EExtended strand (participates in β ladder)trans-108.3132.917265.30000109.9L431 P443 K444 Y445 V462 R466 Y467 A483 V484 C487L431-V460 HydrophobicContact CD2-CG2 4.06Å; P443-V460 HydrophobicContact CB-CG2 3.76Å; K444-V460 CarbonylContact O-C 3.59Å; K444-V460 WeakPolarHBondContact O-CA 3.24Å; Y445-V460 HydrophobicContact CD1-CB 3.87Å; Y445-V460 HydrophobicContact CD1-CG2 3.8Å; Y445-V460 HydrophobicContact CE1-CB 3.73Å; Y445-V460 HydrophobicContact CE1-CG2 3.37Å; Y445-V460 HydrophobicContact CE2-CG2 4.49Å; V460-V462 HydrophobicContact CG2-CG2 3.86Å; V460-R466 CarbonylContact O-C 3.49Å; V460-R466 WeakPolarHBondContact O-CA 3.44Å; V460-Y467 HydrophobicContact CG1-CD2 4.34Å; V460-Y467 HydrophobicContact CG1-CG 4.5Å; V460-Y467 PolarHBondContact N-O 2.85Å; V460-Y467 PolarHBondContact O-N 3Å; V460-A483 HydrophobicContact CB-CB 4.39Å; V460-A483 HydrophobicContact CG1-CB 4.26Å; V460-V484 HydrophobicContact CG1-CG2 4.43Å; V460-V484 HydrophobicContact CG2-CG2 4.49Å; V460-C487 HydrophobicContact CG1-CB 4Å
461L96.1Very high90.6Very high61 Ų6162.5 Ų62.532%0.31929%0.29SS..EExtended strand (participates in β ladder)trans-100.2120.2173.3177.771.4000108.8K444 R465 R466K444-L461 HydrophobicContact CB-CB 4.33Å; K444-L461 PolarHBondContact N-O 3.43Å; K444-L461 VanDerWaalsContact N-O 3.14Å; K444-L461 PolarHBondContact O-N 2.75Å; L461-R465 WeakPolarHBondContact CA-O 3.3Å; L461-R466 HydrophobicContact CD1-CG 3.86Å
462V93.9Very high90.7Very high3 Ų354.1 Ų54.12%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-138.5128.7178.6-175.70000107.9L431 W440 P443 V460 G464 R465 Y467L431-V462 HydrophobicContact CD1-CG1 4.43Å; L431-V462 HydrophobicContact CD1-CG2 4.21Å; L431-V462 HydrophobicContact CD2-CG2 3.83Å; L431-V462 HydrophobicContact CG-CG2 4.4Å; W440-V462 HydrophobicContact CE3-CG1 3.65Å; W440-V462 HydrophobicContact CZ3-CG1 3.81Å; P443-V462 HydrophobicContact CB-CG2 4.12Å; P443-V462 HydrophobicContact CG-CG2 4.34Å; V460-V462 HydrophobicContact CG2-CG2 3.86Å; V462-G464 VanDerWaalsContact C-N 3.29Å; V462-G464 PolarHBondContact O-N 3.27Å; V462-R465 PolarHBondContact N-O 3.47Å; V462-R465 PolarHBondContact O-N 3.42Å; V462-Y467 HydrophobicContact CB-CE2 4.19Å
463D89.6Confident91.2Very high100 Ų10046.9 Ų46.954%0.53523%0.226SC..THydrogen-bonded Turntrans4847.3176.1-16438.5000114W440 R465W440-D463 HydrophobicContact CD2-CB 3.8Å; W440-D463 HydrophobicContact CE3-CB 3.89Å; W440-D463 HydrophobicContact CG-CB 4.37Å; W440-D463 HydrophobicContact CH2-CB 4.04Å; W440-D463 HydrophobicContact CZ2-CB 3.94Å; W440-D463 VanDerWaalsContact CZ2-OD2 3.26Å; W440-D463 WeakPolarHBondContact CZ2-OD2 3.47Å; W440-D463 HydrophobicContact CZ3-CB 4.02Å; D463-R465 PolarHBondContact O-N 2.82Å; D463-R465 VanDerWaalsContact O-N 3.16Å
464G87Confident91.6Very high45 Ų4549 Ų4946%0.46424%0.235SC..THydrogen-bonded Turntrans70.17.9-179.500000115.5L406 V462L406-G464 WeakPolarHBondContact CD2-O 3.31Å; V462-G464 VanDerWaalsContact C-N 3.29Å; V462-G464 PolarHBondContact O-N 3.27Å
465R90.4Very high91.9Very high108 Ų10841 Ų4141%0.40821%0.21SC..EExtended strand (participates in β ladder)trans-117.4140.3177.3-71.6179.9162.9161.7-3.5112.2E407 L461 V462 D463 Y467E407-R465 IonicContact OE2-CZ 2.91Å; E407-R465 IonicContact OE2-NE 2.94Å; E407-R465 PolarHBondContact OE2-NE 3.31Å; E407-R465 VanDerWaalsContact OE2-NE 3.11Å; E407-R465 IonicContact OE2-NH2 3.83Å; E407-R465 PolarHBondContact OE2-NH2 2.94Å; L461-R465 WeakPolarHBondContact CA-O 3.3Å; V462-R465 PolarHBondContact N-O 3.47Å; V462-R465 PolarHBondContact O-N 3.42Å; D463-R465 PolarHBondContact O-N 2.82Å; D463-R465 VanDerWaalsContact O-N 3.16Å; R465-Y467 HydrophobicContact CB-CE2 3.67Å
466R95.2Very high92.2Very high72 Ų7245.8 Ų45.827%0.27223%0.23SC..EExtended strand (participates in β ladder)trans-99.2134.7178.7-69.6176.265.5118.19.6109.7E407 E408 I409 E446 T459 V460 L461E407-R466 PolarHBondContact O-N 3.25Å; E408-R466 CarbonylContact C-O 3.56Å; E408-R466 WeakPolarHBondContact CA-O 3.49Å; E408-R466 HydrophobicContact CB-CB 3.92Å; E408-R466 HydrophobicContact CG-CB 3.78Å; E408-R466 IonicContact OE1-CZ 2.93Å; E408-R466 IonicContact OE1-NE 2.95Å; E408-R466 PolarHBondContact OE1-NE 3.5Å; E408-R466 IonicContact OE1-NH2 3Å; I409-R466 PolarHBondContact N-O 3.33Å; E446-R466 IonicContact OE2-CZ 3.42Å; E446-R466 IonicContact OE2-NH1 3.52Å; E446-R466 PolarHBondContact OE2-NH1 2.77Å; E446-R466 IonicContact OE2-NH2 2.87Å; E446-R466 PolarHBondContact OE2-NH2 3.24Å; T459-R466 HydrophobicContact CG2-CB 3.84Å; T459-R466 HydrophobicContact CG2-CG 4.32Å; V460-R466 CarbonylContact O-C 3.49Å; V460-R466 WeakPolarHBondContact O-CA 3.44Å; L461-R466 HydrophobicContact CD1-CG 3.86Å
467Y95.7Very high92.2Very high4 Ų450.6 Ų50.62%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-125.8112.1178.3-57.2-92.5000108.9I409 T459 V460 V462 R465 V486 C487 V490I409-Y467 HydrophobicContact CB-CD1 4.17Å; I409-Y467 HydrophobicContact CD1-CD1 4.41Å; I409-Y467 HydrophobicContact CD1-CE1 3.92Å; I409-Y467 CarbonylContact O-C 3.54Å; I409-Y467 WeakPolarHBondContact O-CA 3.48Å; T459-Y467 CarbonylContact C-O 3.58Å; T459-Y467 VanDerWaalsContact CA-O 3.26Å; T459-Y467 WeakPolarHBondContact CA-O 3.46Å; V460-Y467 HydrophobicContact CG1-CD2 4.34Å; V460-Y467 HydrophobicContact CG1-CG 4.5Å; V460-Y467 PolarHBondContact N-O 2.85Å; V460-Y467 PolarHBondContact O-N 3Å; V462-Y467 HydrophobicContact CB-CE2 4.19Å; R465-Y467 HydrophobicContact CB-CE2 3.67Å; Y467-V486 HydrophobicContact CD1-CG1 4.33Å; Y467-C487 HydrophobicContact CD1-CB 4Å; Y467-C487 HydrophobicContact CD2-CB 3.85Å; Y467-C487 HydrophobicContact CE1-CB 4.45Å; Y467-C487 HydrophobicContact CE2-CB 4.34Å; Y467-C487 HydrophobicContact CG-CB 3.66Å; Y467-V490 HydrophobicContact CD1-CB 4.41Å; Y467-V490 HydrophobicContact CD1-CG2 4.34Å; Y467-V490 HydrophobicContact CE1-CB 3.89Å; Y467-V490 HydrophobicContact CE1-CG1 3.9Å; Y467-V490 HydrophobicContact CE1-CG2 4.23Å
468R94.5Very high92.2Very high59 Ų5950.5 Ų50.522%0.22325%0.249CC..EExtended strand (participates in β ladder)trans-110.7131.4-175.6-176.7162.759.3105.4-2.2110.6E408 I409 V410 L411 T459E408-R468 HydrophobicContact CG-CB 4.4Å; E408-R468 IonicContact OE2-CZ 2.98Å; E408-R468 IonicContact OE2-NE 3.5Å; E408-R468 PolarHBondContact OE2-NE 3.26Å; E408-R468 IonicContact OE2-NH2 3.11Å; E408-R468 PolarHBondContact OE2-NH2 3.06Å; I409-R468 PolarHBondContact O-N 3.15Å; V410-R468 WeakPolarHBondContact CA-O 3.3Å; V410-R468 HydrophobicContact CG1-CB 4.45Å; V410-R468 HydrophobicContact CG2-CB 4.29Å; L411-R468 PolarHBondContact N-O 2.86Å; L411-R468 VanDerWaalsContact N-O 3.14Å; T459-R468 HydrophobicContact CG2-CB 4.18Å; T459-R468 WeakPolarHBondContact OG1-CB 3.47Å; T459-R468 WeakPolarHBondContact OG1-CD 3.44Å; T459-R468 WeakPolarHBondContact OG1-CG 3.48Å
469N91.2Very high92.1Very high1 Ų150.5 Ų50.51%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-96.4131.8169.5177.749.7000111.1L411 I413 S458 S471 A482 A483 V486L411-N469 VanDerWaalsContact O-CA 3.31Å; L411-N469 WeakPolarHBondContact O-CA 3.45Å; L411-N469 PolarHBondContact O-OD1 3.28Å; I413-N469 PolarHBondContact N-OD1 3.3Å; I413-N469 PolarHBondContact O-OD1 3.09Å; S458-N469 PolarHBondContact O-N 3.34Å; N469-S471 PolarHBondContact ND2-N 3.31Å; N469-S471 PolarHBondContact ND2-O 2.99Å; N469-S471 PolarHBondContact OD1-N 3.04Å; N469-A482 HydrophobicContact CB-CB 4.09Å; N469-A482 WeakPolarHBondContact ND2-CB 3.49Å; N469-A483 HydrophobicContact CB-CB 4.49Å; N469-V486 HydrophobicContact CB-CG2 3.87Å
470T87.4Confident92.1Very high57 Ų5751.1 Ų51.135%0.3525%0.251SS..  trans-98.1-3.9177.251.40000114.1V410 L411 S412 F457 A472V410-T470 HydrophobicContact CG1-CG2 3.4Å; V410-T470 VanDerWaalsContact CG1-CG2 3.4Å; L411-T470 PolarHBondContact O-N 3.41Å; L411-T470 VanDerWaalsContact O-N 3.08Å; L411-T470 PolarHBondContact O-OG1 3.4Å; S412-T470 WeakPolarHBondContact CA-OG1 3.41Å; S412-T470 VanDerWaalsContact CB-OG1 3.26Å; S412-T470 WeakPolarHBondContact CB-OG1 3.39Å; F457-T470 VanDerWaalsContact CE1-O 3.31Å; F457-T470 WeakPolarHBondContact CE1-O 3.34Å; T470-A472 PolarHBondContact O-N 3.26Å
471S84.8Confident92.1Very high7 Ų751.7 Ų51.75%0.04925%0.254CS..SBendtrans-76124.9174.4-178.90000111.4P414 N469 C473P414-S471 WeakPolarHBondContact CA-OG 3.46Å; N469-S471 PolarHBondContact ND2-N 3.31Å; N469-S471 PolarHBondContact ND2-O 2.99Å; N469-S471 PolarHBondContact OD1-N 3.04Å; S471-C473 PolarHBondContact O-N 3.02Å; S471-C473 PolarHBondContact O-SG 3.41Å
472A85.6Confident92.1Very high27 Ų2748.8 Ų48.822%0.22324%0.239CC..  trans-62.1128.5-176.400000112.1E305 F457 T470E305-A472 WeakPolarHBondContact OE2-CB 3.49Å; F457-A472 HydrophobicContact CE1-CB 3.94Å; F457-A472 HydrophobicContact CZ-CB 3.86Å; T470-A472 PolarHBondContact O-N 3.26Å
473C89.6Confident92.2Very high8 Ų848.6 Ų48.65%0.05424%0.238CC..BIsolated β-bridgetrans-116.2141.2-179.9-68.90000111.8S455 F456 S471 S475 A479S455-C473 WeakPolarHBondContact CA-O 3.37Å; F456-C473 WeakPolarHBondContact CD2-O 3.4Å; F456-C473 PolarHBondContact N-O 3.31Å; F456-C473 WeakPolarHBondContact O-CB 3.5Å; F456-C473 PolarHBondContact O-N 2.92Å; F456-C473 VanDerWaalsContact O-N 3.14Å; S471-C473 PolarHBondContact O-N 3.02Å; S471-C473 PolarHBondContact O-SG 3.41Å; C473-S475 PolarHBondContact O-N 3.01Å; C473-A479 HydrophobicContact CB-CB 3.84Å
474K87.3Confident92.6Very high162 Ų16243.9 Ų43.970%0.70421%0.212SC*.SBendtrans-69-7.4179.155.8174.1136.2170.70116.1Y478K474-Y478 HydrophobicContact CD-CD2 3.83Å; K474-Y478 HydrophobicContact CD-CE2 3.71Å; K474-Y478 HydrophobicContact CG-CD2 3.5Å; K474-Y478 VanDerWaalsContact CG-CD2 3.5Å; K474-Y478 HydrophobicContact CG-CE2 3.91Å
475S92.7Very high93.1Very high34 Ų3442 Ų4224%0.23819%0.192CC..SBendtrans-159.5153179.668.90000110.8C473 K477 Y478 A479C473-S475 PolarHBondContact O-N 3.01Å; S475-K477 PolarHBondContact O-N 2.92Å; S475-Y478 PolarHBondContact O-N 3.44Å; S475-Y478 PolarHBondContact OG-N 3.41Å; S475-A479 PolarHBondContact O-N 3.36Å
476K93.8Very high93.2Very high109 Ų10936.9 Ų36.947%0.47417%0.172SC..Hα-helixtrans-48.4-46170.3173165-176.7177.10112.6T447 F456 Y478 A479 E480T447-K476 HydrophobicContact CG2-CB 4.09Å; T447-K476 HydrophobicContact CG2-CD 4.23Å; T447-K476 HydrophobicContact CG2-CG 3.87Å; T447-K476 WeakPolarHBondContact OG1-CE 3.3Å; F456-K476 HydrophobicContact CD1-CB 4.05Å; F456-K476 HydrophobicContact CE1-CB 4.45Å; K476-Y478 VanDerWaalsContact C-N 3.25Å; K476-Y478 PolarHBondContact O-N 3.41Å; K476-A479 PolarHBondContact O-N 2.76Å; K476-E480 WeakPolarHBondContact CE-OE1 3.46Å; K476-E480 HydrophobicContact CG-CG 4.47Å; K476-E480 WeakPolarHBondContact O-CG 3.35Å; K476-E480 PolarHBondContact O-N 3.32Å
477K94.4Very high93.3Very high142 Ų14233.4 Ų33.462%0.61716%0.159SC*.Hα-helixtrans-57.1-37.7179.3-177.4177.8178.3177.60112.6S475 Q481S475-K477 PolarHBondContact O-N 2.92Å; K477-Q481 VanDerWaalsContact O-CG 3.27Å; K477-Q481 WeakPolarHBondContact O-CG 3.49Å; K477-Q481 PolarHBondContact O-N 3.47Å
478Y94.4Very high93.2Very high51 Ų5133.2 Ų33.220%0.216%0.159CC..Hα-helixtrans-82.1-35.3179.9-69.2-7.2000112.3Y415 R417 K474 S475 K476 E480 Q481 A482Y415-Y478 HydrophobicContact CD1-CD1 4.08Å; Y415-Y478 AromaticContact CD1-CG 3.9Å; Y415-Y478 HydrophobicContact CD1-CG 3.9Å; Y415-Y478 AromaticContact CE1-CD1 3.55Å; Y415-Y478 HydrophobicContact CE1-CD1 3.55Å; Y415-Y478 HydrophobicContact CE1-CE1 4.02Å; Y415-Y478 AromaticContact CE1-CG 3.85Å; Y415-Y478 HydrophobicContact CE1-CG 3.85Å; R417-Y478 HydrophobicContact CB-CE1 4.32Å; K474-Y478 HydrophobicContact CD-CD2 3.83Å; K474-Y478 HydrophobicContact CD-CE2 3.71Å; K474-Y478 HydrophobicContact CG-CD2 3.5Å; K474-Y478 VanDerWaalsContact CG-CD2 3.5Å; K474-Y478 HydrophobicContact CG-CE2 3.91Å; S475-Y478 PolarHBondContact O-N 3.44Å; S475-Y478 PolarHBondContact OG-N 3.41Å; K476-Y478 VanDerWaalsContact C-N 3.25Å; K476-Y478 PolarHBondContact O-N 3.41Å; Y478-E480 VanDerWaalsContact C-N 3.3Å; Y478-E480 PolarHBondContact O-N 3.41Å; Y478-Q481 PolarHBondContact O-N 3.23Å; Y478-A482 WeakPolarHBondContact O-CB 3.46Å; Y478-A482 PolarHBondContact O-N 2.9Å
479A95.7Very high92.9Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-58.2-44.5173.200000111.3F456 S458 C473 S475 K476 Q481 A482 A483F456-A479 HydrophobicContact CB-CB 3.76Å; F456-A479 WeakPolarHBondContact O-CB 3.44Å; S458-A479 WeakPolarHBondContact OG-CB 3.46Å; C473-A479 HydrophobicContact CB-CB 3.84Å; S475-A479 PolarHBondContact O-N 3.36Å; K476-A479 PolarHBondContact O-N 2.76Å; A479-Q481 PolarHBondContact O-N 3.48Å; A479-A482 PolarHBondContact O-N 2.92Å; A479-A483 PolarHBondContact O-N 3.37Å
480E97.9Very high92.7Very high24 Ų2437.7 Ų37.711%0.11218%0.184CC..Hα-helixtrans-63.3-39.6176-68.8174.5175.300112.3K428 Y445 S458 K476 Y478 A482 A483 V484K428-E480 HydrophobicContact CD-CB 4Å; K428-E480 IonicContact NZ-OE2 2.74Å; K428-E480 PolarHBondContact NZ-OE2 3.39Å; Y445-E480 HydrophobicContact CD1-CB 3.94Å; Y445-E480 HydrophobicContact CD1-CG 3.86Å; Y445-E480 HydrophobicContact CE1-CB 4.18Å; Y445-E480 HydrophobicContact CG-CG 4.13Å; S458-E480 PolarHBondContact OG-N 2.97Å; K476-E480 WeakPolarHBondContact CE-OE1 3.46Å; K476-E480 HydrophobicContact CG-CG 4.47Å; K476-E480 WeakPolarHBondContact O-CG 3.35Å; K476-E480 PolarHBondContact O-N 3.32Å; Y478-E480 VanDerWaalsContact C-N 3.3Å; Y478-E480 PolarHBondContact O-N 3.41Å; E480-A482 VanDerWaalsContact C-N 3.33Å; E480-A483 PolarHBondContact O-N 3Å; E480-V484 WeakPolarHBondContact O-CG2 3.38Å; E480-V484 PolarHBondContact O-N 3.42Å; E480-V484 VanDerWaalsContact O-N 3.12Å
481Q96.9Very high92.7Very high11 Ų1137.6 Ų37.65%0.05118%0.181CC..Hα-helixtrans-63.3-42.3175.4-64.9-73.4-3.200111Y415 S426 K428 K477 Y478 A479 V484 L485Y415-Q481 HydrophobicContact CD1-CB 4.04Å; Y415-Q481 HydrophobicContact CD2-CB 3.66Å; Y415-Q481 HydrophobicContact CE1-CB 3.95Å; Y415-Q481 HydrophobicContact CE1-CG 4.15Å; Y415-Q481 HydrophobicContact CE2-CB 3.57Å; Y415-Q481 HydrophobicContact CE2-CG 4.12Å; Y415-Q481 HydrophobicContact CG-CB 3.9Å; S426-Q481 PolarHBondContact OG-NE2 3.02Å; K428-Q481 HydrophobicContact CD-CG 4.43Å; K428-Q481 HydrophobicContact CG-CG 4.38Å; K477-Q481 VanDerWaalsContact O-CG 3.27Å; K477-Q481 WeakPolarHBondContact O-CG 3.49Å; K477-Q481 PolarHBondContact O-N 3.47Å; Y478-Q481 PolarHBondContact O-N 3.23Å; A479-Q481 PolarHBondContact O-N 3.48Å; Q481-V484 WeakPolarHBondContact O-CB 3.43Å; Q481-V484 PolarHBondContact O-N 2.71Å; Q481-L485 PolarHBondContact O-N 3Å; Q481-L485 VanDerWaalsContact O-N 3.09Å
482A95.3Very high92.7Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-66.5-40.4179.200000112.3N469 Y478 A479 E480 V484 L485 V486N469-A482 HydrophobicContact CB-CB 4.09Å; N469-A482 WeakPolarHBondContact ND2-CB 3.49Å; Y478-A482 WeakPolarHBondContact O-CB 3.46Å; Y478-A482 PolarHBondContact O-N 2.9Å; A479-A482 PolarHBondContact O-N 2.92Å; E480-A482 VanDerWaalsContact C-N 3.33Å; A482-V484 VanDerWaalsContact C-N 3.26Å; A482-V484 PolarHBondContact O-N 3.28Å; A482-L485 WeakPolarHBondContact O-CB 3.44Å; A482-L485 PolarHBondContact O-N 3.36Å; A482-V486 PolarHBondContact O-N 3.44Å
483A97.2Very high92.8Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-59.1-39.1172.400000112S458 V460 N469 A479 E480 L485 V486 C487S458-A483 VanDerWaalsContact O-CB 3.24Å; S458-A483 WeakPolarHBondContact O-CB 3.25Å; V460-A483 HydrophobicContact CB-CB 4.39Å; V460-A483 HydrophobicContact CG1-CB 4.26Å; N469-A483 HydrophobicContact CB-CB 4.49Å; A479-A483 PolarHBondContact O-N 3.37Å; E480-A483 PolarHBondContact O-N 3Å; A483-L485 VanDerWaalsContact C-N 3.32Å; A483-L485 PolarHBondContact O-N 3.47Å; A483-V486 WeakPolarHBondContact O-CB 3.16Å; A483-V486 PolarHBondContact O-N 2.91Å; A483-C487 PolarHBondContact O-N 3.45Å
484V97.8Very high92.6Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-65.8-33.9174.1174.30000112.1P427 K428 L431 Y445 V460 E480 Q481 A482 V486 C487 L488P427-V484 VanDerWaalsContact C-CG1 3.47Å; P427-V484 HydrophobicContact CB-CB 4.16Å; P427-V484 HydrophobicContact CB-CG1 3.81Å; P427-V484 VanDerWaalsContact O-CG1 3.28Å; P427-V484 WeakPolarHBondContact O-CG1 3Å; K428-V484 HydrophobicContact CG-CG2 3.9Å; L431-V484 HydrophobicContact CB-CG1 3.6Å; L431-V484 HydrophobicContact CD2-CB 4.24Å; L431-V484 HydrophobicContact CD2-CG1 3.76Å; L431-V484 HydrophobicContact CD2-CG2 3.6Å; L431-V484 HydrophobicContact CG-CG1 4.26Å; Y445-V484 HydrophobicContact CE1-CG2 3.72Å; Y445-V484 WeakPolarHBondContact OH-CG2 3.46Å; V460-V484 HydrophobicContact CG1-CG2 4.43Å; V460-V484 HydrophobicContact CG2-CG2 4.49Å; E480-V484 WeakPolarHBondContact O-CG2 3.38Å; E480-V484 PolarHBondContact O-N 3.42Å; E480-V484 VanDerWaalsContact O-N 3.12Å; Q481-V484 WeakPolarHBondContact O-CB 3.43Å; Q481-V484 PolarHBondContact O-N 2.71Å; A482-V484 VanDerWaalsContact C-N 3.26Å; A482-V484 PolarHBondContact O-N 3.28Å; V484-V486 VanDerWaalsContact C-N 3.25Å; V484-V486 PolarHBondContact O-N 3.12Å; V484-C487 WeakPolarHBondContact O-CB 3.46Å; V484-C487 PolarHBondContact O-N 3.46Å; V484-C487 VanDerWaalsContact O-N 3.12Å; V484-L488 HydrophobicContact CG1-CD1 3.78Å; V484-L488 HydrophobicContact CG1-CD2 4.45Å; V484-L488 HydrophobicContact CG1-CG 3.79Å; V484-L488 WeakPolarHBondContact O-CG 3.32Å; V484-L488 PolarHBondContact O-N 2.96Å
485L96.6Very high92.7Very high6 Ų637.4 Ų37.43%0.03120%0.201CC..Hα-helixtrans-61-36.4175.3-63.9178.8000112.5I413 Y415 W420 P427 Q481 A482 A483 H489 N495I413-L485 HydrophobicContact CB-CB 4.31Å; I413-L485 HydrophobicContact CD1-CB 4.37Å; I413-L485 HydrophobicContact CG2-CB 3.85Å; I413-L485 HydrophobicContact CG2-CD1 3.78Å; I413-L485 HydrophobicContact CG2-CG 4.48Å; Y415-L485 HydrophobicContact CD2-CD1 4.08Å; W420-L485 HydrophobicContact CH2-CD1 3.76Å; W420-L485 HydrophobicContact CH2-CD2 4.12Å; W420-L485 HydrophobicContact CZ2-CD1 4.1Å; W420-L485 HydrophobicContact CZ2-CD2 3.57Å; W420-L485 HydrophobicContact CZ2-CG 4.43Å; P427-L485 HydrophobicContact CB-CD2 3.89Å; P427-L485 HydrophobicContact CB-CG 4.48Å; P427-L485 HydrophobicContact CG-CD2 3.61Å; P427-L485 HydrophobicContact CG-CG 4.32Å; Q481-L485 PolarHBondContact O-N 3Å; Q481-L485 VanDerWaalsContact O-N 3.09Å; A482-L485 WeakPolarHBondContact O-CB 3.44Å; A482-L485 PolarHBondContact O-N 3.36Å; A483-L485 VanDerWaalsContact C-N 3.32Å; A483-L485 PolarHBondContact O-N 3.47Å; L485-H489 WeakPolarHBondContact O-CB 3.49Å; L485-H489 PolarHBondContact O-N 3.48Å; L485-N495 HydrophobicContact CD2-CB 3.85Å
486V93.5Very high92.3Very high0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-61.1-48.6173.4179.40000109.9L411 I413 Y467 N469 A482 A483 V484 H489 V490L411-V486 HydrophobicContact CB-CG1 3.92Å; L411-V486 HydrophobicContact CB-CG2 3.98Å; L411-V486 HydrophobicContact CD1-CG1 4Å; L411-V486 HydrophobicContact CG-CG1 3.98Å; I413-V486 HydrophobicContact CD1-CB 4.49Å; I413-V486 HydrophobicContact CD1-CG2 4.02Å; I413-V486 HydrophobicContact CG1-CG2 4.19Å; Y467-V486 HydrophobicContact CD1-CG1 4.33Å; N469-V486 HydrophobicContact CB-CG2 3.87Å; A482-V486 PolarHBondContact O-N 3.44Å; A483-V486 WeakPolarHBondContact O-CB 3.16Å; A483-V486 PolarHBondContact O-N 2.91Å; V484-V486 VanDerWaalsContact C-N 3.25Å; V484-V486 PolarHBondContact O-N 3.12Å; V486-H489 PolarHBondContact O-N 3.48Å; V486-V490 VanDerWaalsContact O-CG2 3.26Å; V486-V490 WeakPolarHBondContact O-CG2 3.45Å; V486-V490 PolarHBondContact O-N 3.21Å
487C96Very high91.7Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-59.7-51.1177.4-176.30000112.5V460 Y467 A483 V484 H489 V490 L491V460-C487 HydrophobicContact CG1-CB 4Å; Y467-C487 HydrophobicContact CD1-CB 4Å; Y467-C487 HydrophobicContact CD2-CB 3.85Å; Y467-C487 HydrophobicContact CE1-CB 4.45Å; Y467-C487 HydrophobicContact CE2-CB 4.34Å; Y467-C487 HydrophobicContact CG-CB 3.66Å; A483-C487 PolarHBondContact O-N 3.45Å; V484-C487 WeakPolarHBondContact O-CB 3.46Å; V484-C487 PolarHBondContact O-N 3.46Å; V484-C487 VanDerWaalsContact O-N 3.12Å; C487-H489 VanDerWaalsContact C-N 3.33Å; C487-H489 PolarHBondContact O-N 3.03Å; C487-V490 PolarHBondContact O-N 3.31Å; C487-L491 WeakPolarHBondContact O-CG 3.48Å; C487-L491 WeakPolarHBondContact O-CB 3.38Å; C487-L491 PolarHBondContact O-N 3.36Å
488L95.1Very high90.8Very high0 Ų030.7 Ų30.70%018%0.176CC..Hα-helixtrans-62.5-40-179.6-64.4178.7000111.8P427 I430 L431 V484 L491 G492 I493 N495P427-L488 HydrophobicContact CB-CD1 4.13Å; I430-L488 HydrophobicContact CB-CD1 4.36Å; I430-L488 HydrophobicContact CG2-CD1 4.26Å; I430-L488 HydrophobicContact CG2-CD2 4.09Å; L431-L488 HydrophobicContact CB-CD2 4.17Å; L431-L488 HydrophobicContact CD1-CD2 4.22Å; V484-L488 HydrophobicContact CG1-CD1 3.78Å; V484-L488 HydrophobicContact CG1-CD2 4.45Å; V484-L488 HydrophobicContact CG1-CG 3.79Å; V484-L488 WeakPolarHBondContact O-CG 3.32Å; V484-L488 PolarHBondContact O-N 2.96Å; L488-L491 PolarHBondContact O-N 3.5Å; L488-G492 PolarHBondContact O-N 3.02Å; L488-I493 HydrophobicContact CB-CB 4.39Å; L488-I493 HydrophobicContact CD2-CB 3.81Å; L488-I493 HydrophobicContact CD2-CD1 3.94Å; L488-I493 HydrophobicContact CD2-CG2 3.78Å; L488-I493 PolarHBondContact O-N 3.48Å; L488-N495 HydrophobicContact CD1-CB 4.35Å
489H88.3Confident89Confident122 Ų12233.5 Ų33.557%0.56519%0.191SC*.Hα-helixtrans-61.6-46.6176.7-178.870.6000111.7I413 L485 V486 C487 G492I413-H489 HydrophobicContact CD1-CB 4.12Å; L485-H489 WeakPolarHBondContact O-CB 3.49Å; L485-H489 PolarHBondContact O-N 3.48Å; V486-H489 PolarHBondContact O-N 3.48Å; C487-H489 VanDerWaalsContact C-N 3.33Å; C487-H489 PolarHBondContact O-N 3.03Å; H489-G492 PolarHBondContact O-N 2.96Å
490V85.4Confident86.8Confident32 Ų3237.9 Ų37.919%0.19421%0.213CC..Hα-helixtrans-67.8-37.4179174.40000112.1I398 I409 L411 Y467 V486 C487 G492I398-V490 HydrophobicContact CD1-CG1 4.38Å; I398-V490 HydrophobicContact CD1-CG2 4.48Å; I409-V490 HydrophobicContact CD1-CG1 3.8Å; I409-V490 HydrophobicContact CD1-CG2 4.38Å; I409-V490 HydrophobicContact CG2-CG2 3.84Å; L411-V490 HydrophobicContact CD1-CG2 4.25Å; Y467-V490 HydrophobicContact CD1-CB 4.41Å; Y467-V490 HydrophobicContact CD1-CG2 4.34Å; Y467-V490 HydrophobicContact CE1-CB 3.89Å; Y467-V490 HydrophobicContact CE1-CG1 3.9Å; Y467-V490 HydrophobicContact CE1-CG2 4.23Å; V486-V490 VanDerWaalsContact O-CG2 3.26Å; V486-V490 WeakPolarHBondContact O-CG2 3.45Å; V486-V490 PolarHBondContact O-N 3.21Å; C487-V490 PolarHBondContact O-N 3.31Å; V490-G492 PolarHBondContact O-N 2.93Å
491L88.6Confident84.1Confident55 Ų5539.7 Ų39.729%0.28822%0.223SC..THydrogen-bonded Turntrans-78.3-3.8177.6-65.7178.9000113.2W440 C487 L488 I493W440-L491 HydrophobicContact CZ3-CD1 4.32Å; C487-L491 WeakPolarHBondContact O-CG 3.48Å; C487-L491 WeakPolarHBondContact O-CB 3.38Å; C487-L491 PolarHBondContact O-N 3.36Å; L488-L491 PolarHBondContact O-N 3.5Å; L491-I493 HydrophobicContact CB-CD1 3.54Å; L491-I493 HydrophobicContact CB-CG1 3.77Å; L491-I493 HydrophobicContact CD1-CD1 3.69Å; L491-I493 HydrophobicContact CG-CD1 4.27Å; L491-I493 PolarHBondContact O-N 3.39Å
492G85.1Confident81.6Confident67 Ų6748.7 Ų48.769%0.69127%0.265SS*.THydrogen-bonded Turntrans65.924.2-176.400000113.7L488 H489 V490L488-G492 PolarHBondContact O-N 3.02Å; H489-G492 PolarHBondContact O-N 2.96Å; V490-G492 PolarHBondContact O-N 2.93Å
493I86.9Confident79.1Confident27 Ų2755.9 Ų55.914%0.13830%0.304CS..  trans-91.8136.4-177.9-58164.3000109.4I430 H434 L488 L491 N495I430-I493 HydrophobicContact CG2-CG2 3.86Å; H434-I493 HydrophobicContact CB-CD1 4.33Å; H434-I493 VanDerWaalsContact CD2-CD1 3.48Å; H434-I493 WeakPolarHBondContact CD2-CD1 3.48Å; H434-I493 WeakPolarHBondContact NE2-CD1 3.45Å; L488-I493 HydrophobicContact CB-CB 4.39Å; L488-I493 HydrophobicContact CD2-CB 3.81Å; L488-I493 HydrophobicContact CD2-CD1 3.94Å; L488-I493 HydrophobicContact CD2-CG2 3.78Å; L488-I493 PolarHBondContact O-N 3.48Å; L491-I493 HydrophobicContact CB-CD1 3.54Å; L491-I493 HydrophobicContact CB-CG1 3.77Å; L491-I493 HydrophobicContact CD1-CD1 3.69Å; L491-I493 HydrophobicContact CG-CD1 4.27Å; L491-I493 PolarHBondContact O-N 3.39Å; I493-N495 PolarHBondContact O-N 2.93Å
494P85.6Confident76.5Confident49 Ų4960.4 Ų60.432%0.31833%0.328SS..  trans-53129.4172.8-28.235.6000112.2G496 N511P494-G496 PolarHBondContact O-N 2.92Å; P494-N511 WeakPolarHBondContact CG-O 3.44Å
495N88.7Confident73.6Confident56 Ų5665.6 Ų65.630%0.29936%0.356SS..  trans-80.3-0.7-177.961.723.3000114W420 I430 L485 L488 I493 K497W420-N495 PolarHBondContact NE1-O 3.26Å; I430-N495 WeakPolarHBondContact CD1-O 3.45Å; L485-N495 HydrophobicContact CD2-CB 3.85Å; L488-N495 HydrophobicContact CD1-CB 4.35Å; I493-N495 PolarHBondContact O-N 2.93Å; N495-K497 PolarHBondContact O-N 3.38Å; N495-K497 WeakPolarHBondContact OD1-CB 2.98Å; N495-K497 VanDerWaalsContact OD1-CG 3.25Å; N495-K497 WeakPolarHBondContact OD1-CG 3.39Å; N495-K497 PolarHBondContact OD1-N 3.42Å
496G84.5Confident70.9Confident16 Ų1670.2 Ų70.217%0.16538%0.384CS..  trans65.416.8-177.600000114.7W420 P494 V498W420-G496 VanDerWaalsContact CD1-O 3.29Å; P494-G496 PolarHBondContact O-N 2.92Å; G496-V498 PolarHBondContact O-N 2.63Å
497K82.8Confident68.1Low82 Ų8274 Ų7436%0.35741%0.405SS..  trans-58.9136.6167.1-77-179.3-178.8179.10108.5F419 W420 N495 H499F419-K497 HydrophobicContact CB-CG 4.4Å; F419-K497 WeakPolarHBondContact O-CA 3.46Å; W420-K497 HydrophobicContact CD2-CG 4.37Å; W420-K497 HydrophobicContact CH2-CD 4.18Å; W420-K497 HydrophobicContact CH2-CG 3.83Å; W420-K497 HydrophobicContact CZ2-CD 4.04Å; W420-K497 HydrophobicContact CZ2-CG 3.31Å; N495-K497 PolarHBondContact O-N 3.38Å; N495-K497 WeakPolarHBondContact OD1-CB 2.98Å; N495-K497 VanDerWaalsContact OD1-CG 3.25Å; N495-K497 WeakPolarHBondContact OD1-CG 3.39Å; N495-K497 PolarHBondContact OD1-N 3.42Å; K497-H499 PolarHBondContact O-N 2.94Å
498V73.9Confident65.4Low47 Ų4779.3 Ų79.329%0.28543%0.432SS..  trans-73.6114.3174.9-147.90000107.7F419 P421 G496 V506F419-V498 PolarHBondContact O-N 2.96Å; F419-V498 VanDerWaalsContact O-N 3.12Å; P421-V498 HydrophobicContact CG-CG2 3.86Å; G496-V498 PolarHBondContact O-N 2.63Å; V498-V506 HydrophobicContact CG1-CG1 3.54Å; V498-V506 HydrophobicContact CG1-CG2 4.47Å; V498-V506 HydrophobicContact CG1-CB 4.48Å
499H58.1Low62.6Low110 Ų11084.4 Ų84.451%0.50946%0.46SS..EExtended strand (participates in β ladder)trans-76.5130.4164.7-110.8-89000108K497K497-H499 PolarHBondContact O-N 2.94Å
500I49.2Very low59.8Low92 Ų9286 Ų8647%0.47247%0.472SS..EExtended strand (participates in β ladder)trans-10399.7172-55.5172.4000104.6V194V194-I500 HydrophobicContact CB-CD1 3.97Å; V194-I500 HydrophobicContact CG1-CD1 3.92Å
501D39.8Very low57.1Low61 Ų6193.9 Ų93.933%0.32651%0.513SS..  trans-69.2159.9176.2-67.2-10.5000110.1N503 N504 N507D501-N503 PolarHBondContact O-N 2.92Å; D501-N504 PolarHBondContact O-N 3.25Å; D501-N507 PolarHBondContact OD2-ND2 2.94Å
502E44.7Very low55.6Low200 Ų20095.8 Ų95.894%0.93552%0.524SS*.THydrogen-bonded Turntrans-57.3-24.6-175.8-63.2-175161.200113.5
503N42.6Very low54Low151 Ų15197.3 Ų97.381%0.80752%0.516SS*.THydrogen-bonded Turntrans-9815.4175.6-82-12.2000114.4D501 N505D501-N503 PolarHBondContact O-N 2.92Å; N503-N505 VanDerWaalsContact C-N 3.25Å; N503-N505 PolarHBondContact O-N 3.41Å
504N44.2Very low52.2Low96 Ų96101.2 Ų101.251%0.51354%0.537SS..  trans65.922.3168.9-149.836.6000115D501D501-N504 PolarHBondContact O-N 3.25Å
505N35Very low50.2Low108 Ų108104.3 Ų104.358%0.57855%0.549SS*.  trans-84131.6167.2-86.9-18.9000109.7N503 N507N503-N505 VanDerWaalsContact C-N 3.25Å; N503-N505 PolarHBondContact O-N 3.41Å; N505-N507 PolarHBondContact O-N 3Å; N505-N507 VanDerWaalsContact O-N 3.1Å
506V40Very low47.8Very low104 Ų104107.3 Ų107.363%0.6357%0.565SS**EExtended strand (participates in β ladder)trans-76.192.5169.3174.60000107.1V498V498-V506 HydrophobicContact CG1-CG1 3.54Å; V498-V506 HydrophobicContact CG1-CG2 4.47Å; V498-V506 HydrophobicContact CG1-CB 4.48Å
507N36Very low45.4Very low80 Ų80113.4 Ų113.443%0.42859%0.592SS.*EExtended strand (participates in β ladder)trans-88.1117.2170.7-84.8-27.5000109.3D501 N505D501-N507 PolarHBondContact OD2-ND2 2.94Å; N505-N507 PolarHBondContact O-N 3Å; N505-N507 VanDerWaalsContact O-N 3.1Å
508L39.6Very low42.7Very low111 Ų111115.6 Ų115.658%0.58161%0.608SS**  trans-74.5120162.2-74.8155.7000106.5N510L508-N510 PolarHBondContact O-N 3.44Å
509N36.4Very low40.3Very low107 Ų107120.9 Ų120.957%0.57263%0.633SS**  trans-58.3114.4169.5-97.5-4.2000109
510N28.2Very low38.8Very low154 Ų154121.8 Ų121.882%0.82464%0.644SS**  trans-103.230.5168.8-88.6-3.5000111.5L508L508-N510 PolarHBondContact O-N 3.44Å
511N29.9Very low37.9Very low198 Ų198124.5 Ų124.5100%1.05966%0.659SS**  trans-104.90171.8-80.9-1.3000110.8P494P494-N511 WeakPolarHBondContact CG-O 3.44Å

Retrieved 511 of 511 residues in 263.3 ms (Link to these results)

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