A0A061IME1_CRIGR Loading...

Nucleoredoxin-like 1

AlphaFold DB , UniProt , Accession A0A061IME1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nxnl1, Length 219 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
1M65.4Low76.5Confident16 Ų1644.4 Ų44.48%0.07928%0.282CS..  0-55.90178.9161.5-90.800113S3 L4 L30 V35 L126 K127 P128 G129M1-S3 PolarHBondContact O-N 3.5Å; M1-L4 WeakPolarHBondContact O-CB 3.26Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 VanDerWaalsContact O-N 3.08Å; M1-L30 HydrophobicContact CG-CB 4.28Å; M1-L30 HydrophobicContact SD-CB 4.44Å; M1-V35 HydrophobicContact CE-CB 3.7Å; M1-V35 HydrophobicContact CE-CG2 3.45Å; M1-V35 VanDerWaalsContact CE-CG2 3.45Å; M1-V35 HydrophobicContact CG-CG2 4.17Å; M1-V35 HydrophobicContact SD-CB 4.23Å; M1-V35 HydrophobicContact SD-CG2 3.3Å; M1-V35 WeakPolarHBondContact SD-CG2 3.4Å; M1-L126 HydrophobicContact CE-CB 3.56Å; M1-K127 VanDerWaalsContact CE-C 3.47Å; M1-K127 WeakPolarHBondContact CE-O 3.47Å; M1-P128 WeakPolarHBondContact CB-O 3.44Å; M1-G129 PolarHBondContact N-O 2.93Å
2V63.3Low77.4Confident12 Ų1244.5 Ų44.57%0.07327%0.273CS..G310 helixtrans-58.4-29.9175.4-177.20000112.3L4 F5 S6 E23 L26 E31V2-L4 PolarHBondContact O-N 3.04Å; V2-F5 CarbonylContact O-C 3.5Å; V2-F5 PolarHBondContact O-N 3.3Å; V2-S6 PolarHBondContact O-N 3.46Å; V2-S6 VanDerWaalsContact O-N 3.15Å; V2-E23 HydrophobicContact CG1-CG 3.93Å; V2-L26 HydrophobicContact CG1-CB 4.07Å; V2-E31 HydrophobicContact CG2-CG 3.8Å
3S72.1Confident78.2Confident94 Ų9442.5 Ų42.566%0.65726%0.259SS*.G310 helixtrans-55.2-28.8173.451.40000115M1 F5 S6M1-S3 PolarHBondContact O-N 3.5Å; S3-F5 PolarHBondContact O-N 3.07Å; S3-S6 PolarHBondContact O-N 2.78Å
4L75.9Confident78.5Confident37 Ų3741.5 Ų41.519%0.19425%0.252CS..G310 helixtrans-68.8-24.6177.7-70.4171.2000112.7M1 V2 L126M1-L4 WeakPolarHBondContact O-CB 3.26Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L4 VanDerWaalsContact O-N 3.08Å; V2-L4 PolarHBondContact O-N 3.04Å; L4-L126 HydrophobicContact CD1-CD1 3.55Å
5F79.8Confident78.2Confident1 Ų146.2 Ų46.20%0.00429%0.287CS..G310 helixtrans-116.216.5-179.6-56.3-77.4000111.8V2 S3 G7 R8 L10 L26 L30 L37 V76 L107 L111V2-F5 CarbonylContact O-C 3.5Å; V2-F5 PolarHBondContact O-N 3.3Å; S3-F5 PolarHBondContact O-N 3.07Å; F5-G7 PolarHBondContact O-N 3.08Å; F5-R8 WeakPolarHBondContact O-CB 3.33Å; F5-R8 PolarHBondContact O-N 3.4Å; F5-L10 HydrophobicContact CD1-CD1 4.29Å; F5-L10 HydrophobicContact CD1-CD2 3.82Å; F5-L10 HydrophobicContact CD1-CG 4.3Å; F5-L10 HydrophobicContact CD2-CD1 4.47Å; F5-L10 HydrophobicContact CE1-CD2 3.96Å; F5-L10 HydrophobicContact CG-CD1 4.25Å; F5-L26 HydrophobicContact CB-CD1 4.25Å; F5-L30 HydrophobicContact CD2-CD1 3.72Å; F5-L30 HydrophobicContact CE2-CD1 4.01Å; F5-L37 HydrophobicContact CZ-CD2 3.8Å; F5-V76 HydrophobicContact CE1-CG1 4.3Å; F5-V76 HydrophobicContact CZ-CG1 4.22Å; F5-V76 HydrophobicContact CZ-CG2 4.28Å; F5-L107 HydrophobicContact CD1-CD2 3.72Å; F5-L107 HydrophobicContact CE1-CD2 4.08Å; F5-L111 HydrophobicContact CE1-CD1 4.26Å
6S72.6Confident78Confident70 Ų7051.6 Ų51.649%0.4931%0.313SS..THydrogen-bonded Turntrans-63.8126-177.9-171.90000110.5V2 S3 R8V2-S6 PolarHBondContact O-N 3.46Å; V2-S6 VanDerWaalsContact O-N 3.15Å; S3-S6 PolarHBondContact O-N 2.78Å; S6-R8 VanDerWaalsContact C-N 3.28Å; S6-R8 PolarHBondContact O-N 3.22Å
7G71.3Confident77.9Confident80 Ų8054.1 Ų54.183%0.82532%0.321SS*.THydrogen-bonded Turntrans72.217.9-176.200000114.5F5F5-G7 PolarHBondContact O-N 3.08Å
8R81.6Confident77.9Confident98 Ų9854.4 Ų54.437%0.3732%0.321SS..  trans-122159.5179.5-57.2-68.6176.9160.9-4.6110.6F5 S6 D105 L107F5-R8 WeakPolarHBondContact O-CB 3.33Å; F5-R8 PolarHBondContact O-N 3.4Å; S6-R8 VanDerWaalsContact C-N 3.28Å; S6-R8 PolarHBondContact O-N 3.22Å; R8-D105 IonicContact CZ-OD1 3.88Å; R8-D105 IonicContact NH1-OD1 2.93Å; R8-D105 PolarHBondContact NH1-OD1 3.34Å; R8-L107 HydrophobicContact CB-CD2 4.36Å; R8-L107 HydrophobicContact CG-CD2 4.14Å
9I84.2Confident78.2Confident59 Ų5957.3 Ų57.330%0.30333%0.331SS..  trans-106.8127.5-176.4-55.7174.5000107.9I11 E19 E21 P102I9-I11 HydrophobicContact CG2-CG1 4.41Å; I9-E19 HydrophobicContact CG2-CB 3.85Å; I9-E19 HydrophobicContact CG2-CG 4.16Å; I9-E21 HydrophobicContact CD1-CG 4.17Å; I9-E21 HydrophobicContact CG1-CG 4.11Å; I9-E21 HydrophobicContact CG2-CG 4.09Å; I9-P102 HydrophobicContact CB-CG 4.48Å; I9-P102 WeakPolarHBondContact O-CD 3.46Å
10L87.1Confident78.2Confident0 Ų054.6 Ų54.60%032%0.315CS..EExtended strand (participates in β ladder)trans-103.4138.9165.4-65.2-176.1000108.4F5 V20 L26 L30 V76 L99 L101F5-L10 HydrophobicContact CD1-CD1 4.29Å; F5-L10 HydrophobicContact CD1-CD2 3.82Å; F5-L10 HydrophobicContact CD1-CG 4.3Å; F5-L10 HydrophobicContact CD2-CD1 4.47Å; F5-L10 HydrophobicContact CE1-CD2 3.96Å; F5-L10 HydrophobicContact CG-CD1 4.25Å; L10-V20 HydrophobicContact CB-CB 4.28Å; L10-V20 PolarHBondContact N-O 2.86Å; L10-V20 WeakPolarHBondContact O-CA 3.28Å; L10-V20 WeakPolarHBondContact O-CB 3.43Å; L10-V20 PolarHBondContact O-N 2.88Å; L10-L26 HydrophobicContact CB-CD2 4.14Å; L10-L26 HydrophobicContact CD1-CD2 3.57Å; L10-L26 HydrophobicContact CG-CD2 3.79Å; L10-L30 HydrophobicContact CD1-CD1 4.07Å; L10-V76 HydrophobicContact CD1-CG2 4.27Å; L10-V76 HydrophobicContact CD2-CG1 4.06Å; L10-L99 HydrophobicContact CD1-CD1 4.04Å; L10-L101 HydrophobicContact CD2-CD2 3.45Å; L10-L101 VanDerWaalsContact CD2-CD2 3.45Å; L10-L101 HydrophobicContact CD2-CG 4.02Å
11I88.1Confident77.8Confident21 Ų2157.8 Ų57.811%0.10833%0.327CS..EExtended strand (participates in β ladder)trans-105.9139.3178.9-55.3176000108.6I9 Q17 E19 L99 F100 P102I9-I11 HydrophobicContact CG2-CG1 4.41Å; I11-Q17 HydrophobicContact CG2-CB 3.78Å; I11-Q17 HydrophobicContact CG2-CG 4.4Å; I11-Q17 WeakPolarHBondContact CG2-O 3.4Å; I11-E19 HydrophobicContact CG1-CG 4.44Å; I11-L99 CarbonylContact O-C 3.51Å; I11-L99 WeakPolarHBondContact O-CA 3.36Å; I11-F100 HydrophobicContact CB-CD1 4.14Å; I11-F100 HydrophobicContact CB-CD2 4.18Å; I11-F100 HydrophobicContact CB-CE1 3.67Å; I11-F100 HydrophobicContact CB-CE2 3.73Å; I11-F100 HydrophobicContact CB-CG 4.39Å; I11-F100 HydrophobicContact CB-CZ 3.46Å; I11-F100 VanDerWaalsContact CB-CZ 3.46Å; I11-F100 HydrophobicContact CD1-CE2 3.9Å; I11-F100 HydrophobicContact CD1-CZ 4.16Å; I11-F100 HydrophobicContact CG1-CE2 4.32Å; I11-F100 HydrophobicContact CG1-CZ 4.39Å; I11-F100 HydrophobicContact CG2-CD1 4.4Å; I11-F100 HydrophobicContact CG2-CE1 3.49Å; I11-F100 VanDerWaalsContact CG2-CE1 3.49Å; I11-F100 HydrophobicContact CG2-CE2 4.03Å; I11-F100 HydrophobicContact CG2-CZ 3.27Å; I11-F100 PolarHBondContact N-O 3.19Å; I11-F100 WeakPolarHBondContact O-CD1 3.23Å; I11-F100 PolarHBondContact O-N 2.83Å; I11-P102 HydrophobicContact CD1-CB 4.12Å; I11-P102 HydrophobicContact CD1-CG 3.82Å; I11-P102 HydrophobicContact CG1-CG 4.13Å
12R88Confident77.8Confident46 Ų4661.1 Ų61.117%0.17435%0.349CS..EExtended strand (participates in β ladder)trans-79.9142.3171-65.1-169.7-171.6150.87.4110.6N14 Q17 D18 V20 E25 R29 L99 F100R12-N14 WeakPolarHBondContact CB-OD1 3.33Å; R12-N14 PolarHBondContact O-N 3.38Å; R12-N14 PolarHBondContact O-OD1 3.25Å; R12-Q17 WeakPolarHBondContact O-CA 3.42Å; R12-D18 HydrophobicContact CB-CB 4.28Å; R12-D18 HydrophobicContact CG-CB 4.28Å; R12-D18 PolarHBondContact N-O 3.08Å; R12-D18 IonicContact NH1-OD2 3.42Å; R12-D18 PolarHBondContact NH1-OD2 3.2Å; R12-V20 HydrophobicContact CG-CG2 4.01Å; R12-E25 IonicContact CZ-OE1 3.66Å; R12-E25 IonicContact NH2-OE1 3.33Å; R12-E25 PolarHBondContact NH2-OE1 2.65Å; R12-R29 VanDerWaalsContact CZ-CZ 3.47Å; R12-R29 VanDerWaalsContact NH2-CZ 3.32Å; R12-L99 HydrophobicContact CG-CD2 3.73Å; R12-F100 WeakPolarHBondContact O-CE1 3.36Å
13N86.8Confident78.3Confident18 Ų1866.4 Ų66.410%0.09637%0.373CS..SBendtrans-78.626.1176.3-16640.8000113.9L91 M94 P95 E96 W98 F100N13-L91 PolarHBondContact ND2-O 2.86Å; N13-L91 WeakPolarHBondContact OD1-CB 3.44Å; N13-L91 PolarHBondContact OD1-O 3.2Å; N13-M94 PolarHBondContact ND2-O 3.47Å; N13-P95 PolarHBondContact ND2-O 3.28Å; N13-E96 WeakPolarHBondContact O-CA 3.46Å; N13-W98 HydrophobicContact CB-CB 4.33Å; N13-W98 PolarHBondContact N-O 3.37Å; N13-F100 HydrophobicContact CB-CD1 4.23Å; N13-F100 HydrophobicContact CB-CE1 4.36Å
14N83.5Confident78.3Confident29 Ų2965 Ų6516%0.15537%0.366CS..SBendtrans-83.2169.4175.364.6-17.5000111R12 D16 Q17 D18 E96R12-N14 WeakPolarHBondContact CB-OD1 3.33Å; R12-N14 PolarHBondContact O-N 3.38Å; R12-N14 PolarHBondContact O-OD1 3.25Å; N14-D16 PolarHBondContact O-N 3.39Å; N14-D16 VanDerWaalsContact O-N 3.17Å; N14-Q17 PolarHBondContact O-N 3.44Å; N14-Q17 WeakPolarHBondContact OD1-CA 3.47Å; N14-Q17 PolarHBondContact OD1-N 3.23Å; N14-Q17 VanDerWaalsContact OD1-N 3.13Å; N14-D18 VanDerWaalsContact ND2-CG 3.35Å; N14-D18 PolarHBondContact ND2-OD2 3.14Å; N14-D18 PolarHBondContact OD1-N 2.93Å; N14-E96 HydrophobicContact CB-CB 4.27Å
15S73.2Confident78.4Confident112 Ų11264.6 Ų64.678%0.78336%0.363SS*.THydrogen-bonded Turntrans-57.9-30.6-178.6-60.50000113.6
16D75.3Confident78.4Confident132 Ų13264.7 Ų64.771%0.70636%0.364SS*.THydrogen-bonded Turntrans-86.9-5.8-179.6-58.7-47.6000113.3N14 D18N14-D16 PolarHBondContact O-N 3.39Å; N14-D16 VanDerWaalsContact O-N 3.17Å; D16-D18 VanDerWaalsContact C-N 3.32Å; D16-D18 PolarHBondContact O-N 3.18Å
17Q75.6Confident78.5Confident94 Ų9462.2 Ų62.244%0.43935%0.347SS..  trans45.852.9-174.9-70.4-170.8-34.800112.8I11 R12 N14 E19I11-Q17 HydrophobicContact CG2-CB 3.78Å; I11-Q17 HydrophobicContact CG2-CG 4.4Å; I11-Q17 WeakPolarHBondContact CG2-O 3.4Å; R12-Q17 WeakPolarHBondContact O-CA 3.42Å; N14-Q17 PolarHBondContact O-N 3.44Å; N14-Q17 WeakPolarHBondContact OD1-CA 3.47Å; N14-Q17 PolarHBondContact OD1-N 3.23Å; N14-Q17 VanDerWaalsContact OD1-N 3.13Å; Q17-E19 PolarHBondContact O-N 2.99Å; Q17-E19 VanDerWaalsContact O-N 3.13Å
18D78.9Confident78.8Confident60 Ų6066.2 Ų66.232%0.32134%0.337SS..  trans-57.1121.1-175.5-66.8-37.2000111.1R12 N14 D16R12-D18 HydrophobicContact CB-CB 4.28Å; R12-D18 HydrophobicContact CG-CB 4.28Å; R12-D18 PolarHBondContact N-O 3.08Å; R12-D18 IonicContact NH1-OD2 3.42Å; R12-D18 PolarHBondContact NH1-OD2 3.2Å; N14-D18 VanDerWaalsContact ND2-CG 3.35Å; N14-D18 PolarHBondContact ND2-OD2 3.14Å; N14-D18 PolarHBondContact OD1-N 2.93Å; D16-D18 VanDerWaalsContact C-N 3.32Å; D16-D18 PolarHBondContact O-N 3.18Å
19E82.6Confident78.6Confident110 Ų11065.5 Ų65.551%0.51434%0.335SS..EExtended strand (participates in β ladder)trans-73.7126.5172.9-61.7-168.9-157.600110.7I9 I11 Q17 E21I9-E19 HydrophobicContact CG2-CB 3.85Å; I9-E19 HydrophobicContact CG2-CG 4.16Å; I11-E19 HydrophobicContact CG1-CG 4.44Å; Q17-E19 PolarHBondContact O-N 2.99Å; Q17-E19 VanDerWaalsContact O-N 3.13Å; E19-E21 HydrophobicContact CB-CG 3.78Å; E19-E21 PolarHBondContact O-N 3.26Å
20V78.3Confident78.4Confident2 Ų262.7 Ų62.71%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-98.280.9172.9-177.40000107.5L10 R12 E25 L26L10-V20 HydrophobicContact CB-CB 4.28Å; L10-V20 PolarHBondContact N-O 2.86Å; L10-V20 WeakPolarHBondContact O-CA 3.28Å; L10-V20 WeakPolarHBondContact O-CB 3.43Å; L10-V20 PolarHBondContact O-N 2.88Å; R12-V20 HydrophobicContact CG-CG2 4.01Å; V20-E25 HydrophobicContact CB-CG 4.34Å; V20-E25 HydrophobicContact CG1-CB 3.79Å; V20-E25 HydrophobicContact CG1-CG 3.45Å; V20-E25 VanDerWaalsContact CG1-CG 3.45Å; V20-E25 HydrophobicContact CG2-CG 4.25Å; V20-L26 HydrophobicContact CB-CD2 4.39Å; V20-L26 HydrophobicContact CG1-CD2 3.6Å; V20-L26 HydrophobicContact CG1-CG 3.86Å
21E69.5Low77.9Confident123 Ų12367.2 Ų67.258%0.57534%0.341SS*.  trans-91.5-33.7-174.6-58.3175.5-156.200113.1I9 E19I9-E21 HydrophobicContact CD1-CG 4.17Å; I9-E21 HydrophobicContact CG1-CG 4.11Å; I9-E21 HydrophobicContact CG2-CG 4.09Å; E19-E21 HydrophobicContact CB-CG 3.78Å; E19-E21 PolarHBondContact O-N 3.26Å
22T66.3Low77.5Confident86 Ų8671.7 Ų71.753%0.52837%0.365SS..SBendtrans-83137.2-173.561.90000111.4A24 E25 L26T22-A24 PolarHBondContact O-N 3.47Å; T22-E25 PolarHBondContact O-N 3.15Å; T22-E25 WeakPolarHBondContact OG1-CB 3.27Å; T22-E25 PolarHBondContact OG1-N 3.05Å; T22-L26 PolarHBondContact O-N 3.47Å
23E73.1Confident77.4Confident123 Ų12373.6 Ų73.658%0.57537%0.373SS*.Hα-helixtrans-53.7-37.7175.1-173173.9-168.100111.8V2 E25 L26 S27V2-E23 HydrophobicContact CG1-CG 3.93Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E23-E25 PolarHBondContact O-N 3.03Å; E23-L26 PolarHBondContact O-N 3.28Å; E23-S27 VanDerWaalsContact O-CB 3.32Å; E23-S27 WeakPolarHBondContact O-CB 3.4Å; E23-S27 PolarHBondContact O-N 3.38Å; E23-S27 PolarHBondContact O-OG 3.26Å
24A73.3Confident77.5Confident63 Ų6373.1 Ų73.152%0.52137%0.37SS..Hα-helixtrans-63.4-34.9176.700000113.7T22 R28T22-A24 PolarHBondContact O-N 3.47Å; A24-R28 PolarHBondContact O-N 3.14Å; A24-R28 VanDerWaalsContact O-N 3.07Å
25E77.8Confident77.9Confident29 Ų2971.8 Ų71.814%0.13636%0.363CS..Hα-helixtrans-76.8-39.6176.3-174.863.5-152.300111R12 V20 T22 E23 S27 R28 R29R12-E25 IonicContact CZ-OE1 3.66Å; R12-E25 IonicContact NH2-OE1 3.33Å; R12-E25 PolarHBondContact NH2-OE1 2.65Å; V20-E25 HydrophobicContact CB-CG 4.34Å; V20-E25 HydrophobicContact CG1-CB 3.79Å; V20-E25 HydrophobicContact CG1-CG 3.45Å; V20-E25 VanDerWaalsContact CG1-CG 3.45Å; V20-E25 HydrophobicContact CG2-CG 4.25Å; T22-E25 PolarHBondContact O-N 3.15Å; T22-E25 WeakPolarHBondContact OG1-CB 3.27Å; T22-E25 PolarHBondContact OG1-N 3.05Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E23-E25 PolarHBondContact O-N 3.03Å; E25-S27 VanDerWaalsContact C-N 3.33Å; E25-S27 PolarHBondContact O-N 2.78Å; E25-R28 PolarHBondContact O-N 3.25Å; E25-R28 IonicContact OE2-CZ 3.4Å; E25-R28 IonicContact OE2-NH1 2.76Å; E25-R28 PolarHBondContact OE2-NH1 3.23Å; E25-R28 IonicContact OE2-NH2 3.95Å; E25-R29 HydrophobicContact CG-CG 4.43Å; E25-R29 WeakPolarHBondContact O-CB 3.16Å; E25-R29 WeakPolarHBondContact O-CG 3.09Å; E25-R29 PolarHBondContact O-N 2.9Å; E25-R29 IonicContact OE1-CZ 2.99Å; E25-R29 IonicContact OE1-NE 3.05Å; E25-R29 PolarHBondContact OE1-NE 3.17Å; E25-R29 IonicContact OE1-NH2 3.43Å
26L79.5Confident78.9Confident3 Ų366.4 Ų66.42%0.01633%0.325CS..Hα-helixtrans-58.2-46.4171.3-70.3173000111V2 F5 L10 V20 T22 E23 R29 L30V2-L26 HydrophobicContact CG1-CB 4.07Å; F5-L26 HydrophobicContact CB-CD1 4.25Å; L10-L26 HydrophobicContact CB-CD2 4.14Å; L10-L26 HydrophobicContact CD1-CD2 3.57Å; L10-L26 HydrophobicContact CG-CD2 3.79Å; V20-L26 HydrophobicContact CB-CD2 4.39Å; V20-L26 HydrophobicContact CG1-CD2 3.6Å; V20-L26 HydrophobicContact CG1-CG 3.86Å; T22-L26 PolarHBondContact O-N 3.47Å; E23-L26 PolarHBondContact O-N 3.28Å; L26-R29 PolarHBondContact O-N 3.08Å; L26-L30 HydrophobicContact CD2-CD1 4.37Å; L26-L30 WeakPolarHBondContact O-CB 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.21Å
27S75.1Confident79.8Confident19 Ų1960.1 Ų60.113%0.13329%0.292CS..Hα-helixtrans-54.8-53.4173.8-80.50000111.6E23 E25 R29 L30 E31E23-S27 VanDerWaalsContact O-CB 3.32Å; E23-S27 WeakPolarHBondContact O-CB 3.4Å; E23-S27 PolarHBondContact O-N 3.38Å; E23-S27 PolarHBondContact O-OG 3.26Å; E25-S27 VanDerWaalsContact C-N 3.33Å; E25-S27 PolarHBondContact O-N 2.78Å; S27-R29 PolarHBondContact O-N 3.46Å; S27-R29 VanDerWaalsContact O-N 3.13Å; S27-L30 PolarHBondContact O-N 2.97Å; S27-E31 WeakPolarHBondContact CB-OE1 3.37Å; S27-E31 WeakPolarHBondContact O-CA 3.42Å; S27-E31 WeakPolarHBondContact O-CB 3.25Å; S27-E31 WeakPolarHBondContact O-CG 3.32Å; S27-E31 PolarHBondContact O-N 2.89Å; S27-E31 PolarHBondContact OG-OE1 2.92Å
28R77.3Confident80.8Confident163 Ų16355.7 Ų55.762%0.61527%0.271SS*.Hα-helixtrans-58.9-32.9-179.9-166.9-175.1-58137.512.7113.1A24 E25A24-R28 PolarHBondContact O-N 3.14Å; A24-R28 VanDerWaalsContact O-N 3.07Å; E25-R28 PolarHBondContact O-N 3.25Å; E25-R28 IonicContact OE2-CZ 3.4Å; E25-R28 IonicContact OE2-NH1 2.76Å; E25-R28 PolarHBondContact OE2-NH1 3.23Å; E25-R28 IonicContact OE2-NH2 3.95Å
29R77.9Confident81.6Confident84 Ų8452.8 Ų52.832%0.31726%0.255SS..Hα-helixtrans-87.4-29.6-175-68.8-74.4178.5163.3-7.7113.4R12 E25 L26 S27 R33R12-R29 VanDerWaalsContact CZ-CZ 3.47Å; R12-R29 VanDerWaalsContact NH2-CZ 3.32Å; E25-R29 HydrophobicContact CG-CG 4.43Å; E25-R29 WeakPolarHBondContact O-CB 3.16Å; E25-R29 WeakPolarHBondContact O-CG 3.09Å; E25-R29 PolarHBondContact O-N 2.9Å; E25-R29 IonicContact OE1-CZ 2.99Å; E25-R29 IonicContact OE1-NE 3.05Å; E25-R29 PolarHBondContact OE1-NE 3.17Å; E25-R29 IonicContact OE1-NH2 3.43Å; L26-R29 PolarHBondContact O-N 3.08Å; S27-R29 PolarHBondContact O-N 3.46Å; S27-R29 VanDerWaalsContact O-N 3.13Å; R29-R33 VanDerWaalsContact O-CD 3.23Å; R29-R33 WeakPolarHBondContact O-CD 3.32Å; R29-R33 PolarHBondContact O-NE 2.97Å
30L79.1Confident82.1Confident0 Ų047.6 Ų47.60%023%0.231CC..Hα-helixtrans-116.2-26.7-171.6-56.2178.6000113.7M1 F5 L10 L26 S27 R33 V35 A74 V76 L99M1-L30 HydrophobicContact CG-CB 4.28Å; M1-L30 HydrophobicContact SD-CB 4.44Å; F5-L30 HydrophobicContact CD2-CD1 3.72Å; F5-L30 HydrophobicContact CE2-CD1 4.01Å; L10-L30 HydrophobicContact CD1-CD1 4.07Å; L26-L30 HydrophobicContact CD2-CD1 4.37Å; L26-L30 WeakPolarHBondContact O-CB 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.21Å; S27-L30 PolarHBondContact O-N 2.97Å; L30-R33 PolarHBondContact O-N 3.42Å; L30-V35 HydrophobicContact CB-CG2 4.34Å; L30-V35 HydrophobicContact CD2-CG2 3.89Å; L30-A74 HydrophobicContact CD2-CB 3.86Å; L30-V76 HydrophobicContact CD2-CG2 4.42Å; L30-L99 HydrophobicContact CD2-CD1 3.98Å
31E77.6Confident82.7Confident94 Ų9447.9 Ų47.944%0.43923%0.234SC..THydrogen-bonded Turntrans-64.7144.9179.9-73.8173.6-177.800112.2V2 S27 R33V2-E31 HydrophobicContact CG2-CG 3.8Å; S27-E31 WeakPolarHBondContact CB-OE1 3.37Å; S27-E31 WeakPolarHBondContact O-CA 3.42Å; S27-E31 WeakPolarHBondContact O-CB 3.25Å; S27-E31 WeakPolarHBondContact O-CG 3.32Å; S27-E31 PolarHBondContact O-N 2.89Å; S27-E31 PolarHBondContact OG-OE1 2.92Å; E31-R33 PolarHBondContact O-N 2.67Å; E31-R33 VanDerWaalsContact O-N 3.13Å
32N78.7Confident83.5Confident115 Ų11542.7 Ų42.762%0.61521%0.213SC*.THydrogen-bonded Turntrans57.420.2-178.4-56.8-45.3000113.8Q72N32-Q72 PolarHBondContact O-OE1 2.81Å
33R85.1Confident84.4Confident87 Ų8741.6 Ų41.633%0.32821%0.213SC..SBendtrans-120.9151.7177.8-60.9-179.2-162.3-132.51.4111.3R29 L30 E31 Q72R29-R33 VanDerWaalsContact O-CD 3.23Å; R29-R33 WeakPolarHBondContact O-CD 3.32Å; R29-R33 PolarHBondContact O-NE 2.97Å; L30-R33 PolarHBondContact O-N 3.42Å; E31-R33 PolarHBondContact O-N 2.67Å; E31-R33 VanDerWaalsContact O-N 3.13Å; R33-Q72 CarbonylContact C-O 3.58Å; R33-Q72 VanDerWaalsContact CA-O 3.27Å; R33-Q72 WeakPolarHBondContact CA-O 3.5Å; R33-Q72 WeakPolarHBondContact CB-O 3.26Å; R33-Q72 HydrophobicContact CG-CB 4.08Å
34L89.6Confident85.1Confident8 Ų837 Ų374%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-71.2132.9159.9-67179.4000108.4Q72 L73 A74 L126 L133 F149 W152L34-Q72 PolarHBondContact N-O 3.03Å; L34-L73 HydrophobicContact CB-CD1 3.8Å; L34-L73 CarbonylContact O-C 3.5Å; L34-L73 WeakPolarHBondContact O-CA 3.2Å; L34-A74 PolarHBondContact O-N 3.16Å; L34-L126 WeakPolarHBondContact CA-O 3.33Å; L34-L126 WeakPolarHBondContact CD2-O 3.45Å; L34-L133 HydrophobicContact CD2-CD2 4.35Å; L34-F149 HydrophobicContact CD1-CD2 4.12Å; L34-F149 HydrophobicContact CD1-CE2 3.75Å; L34-F149 HydrophobicContact CG-CE2 4.47Å; L34-W152 HydrophobicContact CD1-CB 3.65Å
35V91.7Very high85.9Confident0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-110.8124.1177.1177.30000109.2M1 L30 L37 A74 V76 L126M1-V35 HydrophobicContact CE-CB 3.7Å; M1-V35 HydrophobicContact CE-CG2 3.45Å; M1-V35 VanDerWaalsContact CE-CG2 3.45Å; M1-V35 HydrophobicContact CG-CG2 4.17Å; M1-V35 HydrophobicContact SD-CB 4.23Å; M1-V35 HydrophobicContact SD-CG2 3.3Å; M1-V35 WeakPolarHBondContact SD-CG2 3.4Å; L30-V35 HydrophobicContact CB-CG2 4.34Å; L30-V35 HydrophobicContact CD2-CG2 3.89Å; V35-L37 HydrophobicContact CG1-CD2 4.32Å; V35-A74 CarbonylContact C-O 3.58Å; V35-A74 WeakPolarHBondContact CA-O 3.36Å; V35-A74 HydrophobicContact CG2-CB 4.26Å; V35-V76 HydrophobicContact CG1-CG2 3.95Å; V35-L126 HydrophobicContact CB-CB 4.32Å; V35-L126 PolarHBondContact N-O 3.06Å; V35-L126 PolarHBondContact O-N 2.89Å
36L94.6Very high86.5Confident0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-94.4114.1171.7-83.163.9000108.3L54 F57 L73 A74 L75 V76 V123 V124 V125 I141 W152L36-L54 HydrophobicContact CD2-CD1 4.3Å; L36-F57 HydrophobicContact CD2-CE1 3.94Å; L36-L73 HydrophobicContact CD1-CD1 3.23Å; L36-L73 HydrophobicContact CD1-CG 4.12Å; L36-A74 PolarHBondContact N-O 3.01Å; L36-L75 HydrophobicContact CB-CB 4.46Å; L36-L75 HydrophobicContact CB-CD1 4.45Å; L36-L75 HydrophobicContact CB-CG 4.19Å; L36-L75 WeakPolarHBondContact O-CA 3.49Å; L36-V76 PolarHBondContact O-N 3.48Å; L36-V123 HydrophobicContact CB-CG1 4.12Å; L36-V123 HydrophobicContact CD2-CG1 4Å; L36-V123 HydrophobicContact CG-CG1 3.88Å; L36-V124 WeakPolarHBondContact CA-O 3.4Å; L36-V125 HydrophobicContact CD1-CG1 4.43Å; L36-V125 HydrophobicContact CD1-CG2 4.48Å; L36-V125 HydrophobicContact CG-CG2 4.36Å; L36-I141 HydrophobicContact CD2-CD1 4.45Å; L36-W152 HydrophobicContact CD1-CZ3 4.43Å; L36-W152 HydrophobicContact CD2-CZ3 4.46Å
37L95Very high87.1Confident0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-87.9106.5165.7-62.8176.8000108F5 V35 F39 V76 V78 F115 V123 V124 L126F5-L37 HydrophobicContact CZ-CD2 3.8Å; V35-L37 HydrophobicContact CG1-CD2 4.32Å; L37-F39 HydrophobicContact CB-CD2 4.44Å; L37-F39 HydrophobicContact CB-CE2 3.66Å; L37-F39 HydrophobicContact CB-CZ 4.14Å; L37-F39 HydrophobicContact CD1-CE2 4.49Å; L37-F39 HydrophobicContact CD1-CZ 4.38Å; L37-V76 WeakPolarHBondContact CA-O 3.17Å; L37-V76 HydrophobicContact CD2-CB 3.83Å; L37-V76 HydrophobicContact CD2-CG1 4.19Å; L37-V76 HydrophobicContact CD2-CG2 4.45Å; L37-V78 HydrophobicContact CD2-CG2 4.37Å; L37-F115 HydrophobicContact CD1-CD2 3.88Å; L37-F115 HydrophobicContact CD1-CE2 3.36Å; L37-F115 HydrophobicContact CD1-CZ 3.96Å; L37-V123 WeakPolarHBondContact O-CA 3.28Å; L37-V124 HydrophobicContact CB-CB 4.2Å; L37-V124 PolarHBondContact N-O 3.49Å; L37-V124 PolarHBondContact O-N 3.47Å; L37-L126 HydrophobicContact CD1-CD1 3.77Å; L37-L126 HydrophobicContact CD1-CG 4.34Å; L37-L126 HydrophobicContact CG-CD1 4.11Å
38F95.8Very high87.9Confident0 Ų048.1 Ų48.10%024%0.241CC..EExtended strand (participates in β ladder)trans-95.7112177.6173.4-131000110.1F50 L54 L75 V76 Y77 V78 F90 W98 P121 V123F38-F50 HydrophobicContact CD2-CE1 4.3Å; F38-F50 AromaticContact CE2-CD1 3.83Å; F38-F50 HydrophobicContact CE2-CD1 3.83Å; F38-F50 AromaticContact CE2-CE1 3.97Å; F38-F50 HydrophobicContact CE2-CE1 3.97Å; F38-F50 HydrophobicContact CZ-CD1 4.33Å; F38-L54 HydrophobicContact CB-CD2 3.95Å; F38-L54 HydrophobicContact CD1-CD2 3.64Å; F38-L54 HydrophobicContact CD2-CD2 3.72Å; F38-L54 HydrophobicContact CE1-CD2 4.09Å; F38-L54 HydrophobicContact CE2-CD2 4.12Å; F38-L54 HydrophobicContact CG-CD2 3.46Å; F38-L54 VanDerWaalsContact CG-CD2 3.46Å; F38-L54 HydrophobicContact CZ-CD2 4.31Å; F38-L75 HydrophobicContact CB-CD2 4.28Å; F38-V76 PolarHBondContact N-O 3.05Å; F38-Y77 AromaticContact CD1-CD2 3.44Å; F38-Y77 HydrophobicContact CD1-CD2 3.44Å; F38-Y77 VanDerWaalsContact CD1-CD2 3.44Å; F38-Y77 AromaticContact CD1-CE2 3.92Å; F38-Y77 HydrophobicContact CD1-CE2 3.92Å; F38-Y77 AromaticContact CE1-CD2 3.82Å; F38-Y77 HydrophobicContact CE1-CD2 3.82Å; F38-Y77 AromaticContact CE1-CE2 3.82Å; F38-Y77 HydrophobicContact CE1-CE2 3.82Å; F38-Y77 HydrophobicContact CG-CD2 4.29Å; F38-Y77 WeakPolarHBondContact O-CD2 3.35Å; F38-V78 PolarHBondContact O-N 2.71Å; F38-F90 AromaticContact CE1-CE1 3.87Å; F38-F90 HydrophobicContact CE1-CE1 3.87Å; F38-F90 AromaticContact CE1-CZ 3.68Å; F38-F90 HydrophobicContact CE1-CZ 3.68Å; F38-F90 HydrophobicContact CZ-CZ 4.27Å; F38-W98 HydrophobicContact CD1-CZ3 4.26Å; F38-P121 HydrophobicContact CE2-CB 3.78Å; F38-P121 HydrophobicContact CZ-CB 4.48Å; F38-V123 HydrophobicContact CD2-CG2 3.82Å
39F95.2Very high88.6Confident0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-94115.7173.7-59.3-94000108.8L37 V78 L111 F115 V117 L120 A122 V124L37-F39 HydrophobicContact CB-CD2 4.44Å; L37-F39 HydrophobicContact CB-CE2 3.66Å; L37-F39 HydrophobicContact CB-CZ 4.14Å; L37-F39 HydrophobicContact CD1-CE2 4.49Å; L37-F39 HydrophobicContact CD1-CZ 4.38Å; F39-V78 HydrophobicContact CD1-CB 3.79Å; F39-V78 HydrophobicContact CD1-CG1 3.81Å; F39-V78 HydrophobicContact CD1-CG2 4.46Å; F39-V78 HydrophobicContact CE1-CB 3.88Å; F39-V78 HydrophobicContact CE1-CG1 3.72Å; F39-V78 HydrophobicContact CE1-CG2 4.15Å; F39-V78 HydrophobicContact CG-CB 4.43Å; F39-V78 HydrophobicContact CZ-CG2 4.42Å; F39-L111 HydrophobicContact CE1-CB 3.95Å; F39-L111 HydrophobicContact CZ-CB 4.03Å; F39-F115 HydrophobicContact CZ-CD2 4.12Å; F39-V117 HydrophobicContact CB-CG1 4.11Å; F39-V117 HydrophobicContact CD1-CG2 4.15Å; F39-V117 HydrophobicContact CD2-CG2 3.76Å; F39-V117 HydrophobicContact CE1-CG2 4.19Å; F39-V117 HydrophobicContact CE2-CG2 3.82Å; F39-V117 HydrophobicContact CG-CG1 4.23Å; F39-V117 HydrophobicContact CG-CG2 3.94Å; F39-V117 HydrophobicContact CZ-CG2 4.03Å; F39-L120 HydrophobicContact CB-CD2 3.79Å; F39-A122 HydrophobicContact CB-CB 4.39Å; F39-A122 PolarHBondContact N-O 3.38Å; F39-A122 PolarHBondContact O-N 3.06Å; F39-A122 VanDerWaalsContact O-N 3.11Å; F39-V124 HydrophobicContact CD2-CG2 4.28Å; F39-V124 HydrophobicContact CE2-CB 4.28Å; F39-V124 HydrophobicContact CE2-CG2 3.68Å
40G93.2Very high89.4Confident0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-152.7162.1-178.300000112.4Y77 Q80G40-Y77 PolarHBondContact O-OH 3.19Å; G40-Q80 PolarHBondContact O-N 3.05Å
41A91.6Very high90.1Very high9 Ų939.8 Ų39.87%0.07423%0.226CC..  trans-133.3133.9173.900000109.2A43 C44 C47 Q80 D81 L120A41-A43 PolarHBondContact O-N 3.22Å; A41-C44 HydrophobicContact CB-CB 4.21Å; A41-C44 WeakPolarHBondContact O-CB 3.44Å; A41-C44 PolarHBondContact O-N 2.64Å; A41-C47 VanDerWaalsContact O-CB 3.31Å; A41-C47 WeakPolarHBondContact O-CB 3.42Å; A41-Q80 HydrophobicContact CB-CB 4.45Å; A41-D81 VanDerWaalsContact C-OD1 3.31Å; A41-D81 VanDerWaalsContact CA-OD1 3.25Å; A41-D81 WeakPolarHBondContact CA-OD1 3.22Å; A41-D81 WeakPolarHBondContact CB-OD1 3.27Å; A41-L120 HydrophobicContact CB-CD1 4.24Å
42G85.4Confident90.8Very high13 Ų1339 Ų3913%0.13423%0.228CC..THydrogen-bonded Turntrans-59.2-30.9175.200000112.8C44 Q48 D81G42-C44 VanDerWaalsContact C-N 3.27Å; G42-C44 PolarHBondContact O-N 3.4Å; G42-Q48 PolarHBondContact O-NE2 3.48Å; G42-D81 PolarHBondContact N-OD1 3Å; G42-D81 PolarHBondContact N-OD2 2.8Å
43A85.4Confident91.6Very high64 Ų6436.2 Ų36.253%0.52922%0.215SC..THydrogen-bonded Turntrans-75.8-9.417600000114.4A41 P45A41-A43 PolarHBondContact O-N 3.22Å; A43-P45 WeakPolarHBondContact O-CD 3.45Å
44C88.8Confident92Very high27 Ų2732 Ų3218%0.18220%0.2CC..  trans-90.8119.4-176.6179.40000111.5A41 G42 Q46 C47 Q48A41-C44 HydrophobicContact CB-CB 4.21Å; A41-C44 WeakPolarHBondContact O-CB 3.44Å; A41-C44 PolarHBondContact O-N 2.64Å; G42-C44 VanDerWaalsContact C-N 3.27Å; G42-C44 PolarHBondContact O-N 3.4Å; C44-Q46 VanDerWaalsContact C-N 3.3Å; C44-Q46 PolarHBondContact O-N 3.04Å; C44-C47 HydrophobicContact CB-CB 3.84Å; C44-C47 VanDerWaalsContact CB-SG 3.58Å; C44-C47 WeakPolarHBondContact O-CB 3.37Å; C44-C47 PolarHBondContact O-N 2.91Å; C44-C47 VanDerWaalsContact O-N 3.09Å; C44-Q48 PolarHBondContact O-N 3.18Å
45P89.2Confident92.2Very high97 Ų9735.5 Ų35.563%0.6321%0.214SC*.Hα-helixtrans-61.1-36.1-179.5-24.634.2000113.7A43 C47 Q48 A49A43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-C47 VanDerWaalsContact C-N 3.33Å; P45-Q48 PolarHBondContact O-N 3.13Å; P45-A49 PolarHBondContact O-N 3.32Å
46Q91.8Very high92.3Very high132 Ų13238.7 Ų38.762%0.61723%0.231SC*.Hα-helixtrans-67.7-36177.8-65.7177.5-23.400111.3C44 A49 F50 L120C44-Q46 VanDerWaalsContact C-N 3.3Å; C44-Q46 PolarHBondContact O-N 3.04Å; Q46-A49 PolarHBondContact O-N 3.31Å; Q46-F50 WeakPolarHBondContact O-CB 3.45Å; Q46-F50 PolarHBondContact O-N 2.71Å; Q46-L120 PolarHBondContact OE1-O 2.86Å
47C92.4Very high92.2Very high0 Ų038.8 Ų38.80%023%0.232CC..Hα-helixtrans-67.4-43.2174.4-65.50000111.3A41 C44 P45 A49 F50 A51A41-C47 VanDerWaalsContact O-CB 3.31Å; A41-C47 WeakPolarHBondContact O-CB 3.42Å; C44-C47 HydrophobicContact CB-CB 3.84Å; C44-C47 VanDerWaalsContact CB-SG 3.58Å; C44-C47 WeakPolarHBondContact O-CB 3.37Å; C44-C47 PolarHBondContact O-N 2.91Å; C44-C47 VanDerWaalsContact O-N 3.09Å; P45-C47 VanDerWaalsContact C-N 3.33Å; C47-A49 VanDerWaalsContact C-N 3.29Å; C47-A49 PolarHBondContact O-N 2.96Å; C47-F50 PolarHBondContact O-N 3.45Å; C47-A51 WeakPolarHBondContact O-CB 3.44Å; C47-A51 PolarHBondContact O-N 2.96Å
48Q90.8Very high92.1Very high117 Ų11739.1 Ų39.155%0.54723%0.233SC..Hα-helixtrans-61.3-37.9176.5-68.4-176.7-0.300112.3G42 C44 P45 P52G42-Q48 PolarHBondContact O-NE2 3.48Å; C44-Q48 PolarHBondContact O-N 3.18Å; P45-Q48 PolarHBondContact O-N 3.13Å; Q48-P52 WeakPolarHBondContact O-CD 3.38Å
49A92.8Very high91.8Very high69 Ų6940.7 Ų40.757%0.5724%0.243SC*.Hα-helixtrans-70.3-34.317600000112.8P45 Q46 C47 P52P45-A49 PolarHBondContact O-N 3.32Å; Q46-A49 PolarHBondContact O-N 3.31Å; C47-A49 VanDerWaalsContact C-N 3.29Å; C47-A49 PolarHBondContact O-N 2.96Å; A49-P52 WeakPolarHBondContact O-CD 3.37Å; A49-P52 WeakPolarHBondContact O-CG 3.47Å
50F94.4Very high91.6Very high1 Ų145.7 Ų45.70%0.00426%0.262CS..Hα-helixtrans-83-32.2-179.2179.7-112.2000113.7F38 Q46 C47 V53 L54 P121 V123 T138 I141 Q142F38-F50 HydrophobicContact CD2-CE1 4.3Å; F38-F50 AromaticContact CE2-CD1 3.83Å; F38-F50 HydrophobicContact CE2-CD1 3.83Å; F38-F50 AromaticContact CE2-CE1 3.97Å; F38-F50 HydrophobicContact CE2-CE1 3.97Å; F38-F50 HydrophobicContact CZ-CD1 4.33Å; Q46-F50 WeakPolarHBondContact O-CB 3.45Å; Q46-F50 PolarHBondContact O-N 2.71Å; C47-F50 PolarHBondContact O-N 3.45Å; F50-V53 HydrophobicContact CD2-CB 4.34Å; F50-V53 WeakPolarHBondContact O-CA 3.47Å; F50-V53 WeakPolarHBondContact O-CB 3.07Å; F50-V53 PolarHBondContact O-N 2.96Å; F50-L54 HydrophobicContact CD1-CB 4.35Å; F50-L54 HydrophobicContact CE1-CB 3.94Å; F50-L54 HydrophobicContact CE1-CD1 4.38Å; F50-L54 HydrophobicContact CE1-CD2 3.94Å; F50-L54 HydrophobicContact CE1-CG 4.32Å; F50-L54 HydrophobicContact CZ-CB 4.15Å; F50-L54 HydrophobicContact CZ-CD1 4.3Å; F50-L54 PolarHBondContact O-N 3.33Å; F50-P121 HydrophobicContact CB-CB 4.35Å; F50-P121 HydrophobicContact CB-CG 3.78Å; F50-P121 HydrophobicContact CD1-CB 3.74Å; F50-P121 HydrophobicContact CD1-CG 3.94Å; F50-P121 HydrophobicContact CE1-CB 4.43Å; F50-P121 HydrophobicContact CG-CB 4.29Å; F50-P121 HydrophobicContact CG-CG 3.97Å; F50-V123 HydrophobicContact CE1-CG2 3.59Å; F50-V123 HydrophobicContact CZ-CG2 3.88Å; F50-T138 HydrophobicContact CD1-CG2 4.31Å; F50-T138 HydrophobicContact CD2-CG2 3.87Å; F50-T138 HydrophobicContact CE1-CG2 4.15Å; F50-T138 HydrophobicContact CE2-CG2 3.72Å; F50-T138 HydrophobicContact CG-CG2 4.16Å; F50-T138 HydrophobicContact CZ-CG2 3.86Å; F50-I141 HydrophobicContact CE2-CB 4.32Å; F50-I141 HydrophobicContact CE2-CG2 4.13Å; F50-I141 HydrophobicContact CZ-CB 4.34Å; F50-I141 HydrophobicContact CZ-CD1 4.15Å; F50-I141 HydrophobicContact CZ-CG2 4.23Å; F50-Q142 HydrophobicContact CD2-CG 3.81Å; F50-Q142 HydrophobicContact CE2-CG 3.81Å
51A92.4Very high91.3Very high3 Ų346.4 Ų46.43%0.02527%0.265CS..Hα-helixtrans-49.6-47.3-18000000114.7C47 V53 L54 K55 F90 M94C47-A51 WeakPolarHBondContact O-CB 3.44Å; C47-A51 PolarHBondContact O-N 2.96Å; A51-V53 VanDerWaalsContact C-N 3.3Å; A51-V53 PolarHBondContact O-N 3.36Å; A51-L54 PolarHBondContact O-N 2.87Å; A51-K55 VanDerWaalsContact O-CB 3.32Å; A51-K55 WeakPolarHBondContact O-CB 2.79Å; A51-K55 PolarHBondContact O-N 3.11Å; A51-F90 HydrophobicContact CB-CE2 3.62Å; A51-F90 HydrophobicContact CB-CZ 3.61Å; A51-M94 HydrophobicContact CB-CE 3.88Å; A51-M94 HydrophobicContact CB-SD 4.43Å
52P93.6Very high91Very high76 Ų7646.5 Ų46.549%0.49427%0.265SS..Hα-helixtrans-65.5-32.717725.4-34.9000112.8Q48 A49 K55 D56Q48-P52 WeakPolarHBondContact O-CD 3.38Å; A49-P52 WeakPolarHBondContact O-CD 3.37Å; A49-P52 WeakPolarHBondContact O-CG 3.47Å; P52-K55 PolarHBondContact O-N 3.43Å; P52-D56 WeakPolarHBondContact O-CB 3.45Å; P52-D56 PolarHBondContact O-N 2.82Å
53V94.6Very high91Very high57 Ų5748.6 Ų48.635%0.34527%0.273SS..Hα-helixtrans-66.3-46.2175.7-177.90000110.1F50 A51 K55 D56 F57 I141 Q142F50-V53 HydrophobicContact CD2-CB 4.34Å; F50-V53 WeakPolarHBondContact O-CA 3.47Å; F50-V53 WeakPolarHBondContact O-CB 3.07Å; F50-V53 PolarHBondContact O-N 2.96Å; A51-V53 VanDerWaalsContact C-N 3.3Å; A51-V53 PolarHBondContact O-N 3.36Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-D56 PolarHBondContact O-N 3.01Å; V53-F57 VanDerWaalsContact O-CB 3.3Å; V53-F57 WeakPolarHBondContact O-CB 3.12Å; V53-F57 PolarHBondContact O-N 3.13Å; V53-I141 HydrophobicContact CG1-CG2 4.36Å; V53-Q142 HydrophobicContact CG1-CG 4.44Å
54L94.6Very high90.7Very high0 Ų053.8 Ų53.80%029%0.287CS..Hα-helixtrans-65.5-38.5177.7-175.461.7000112L36 F38 F50 A51 F57 F58 L75 W98 I141L36-L54 HydrophobicContact CD2-CD1 4.3Å; F38-L54 HydrophobicContact CB-CD2 3.95Å; F38-L54 HydrophobicContact CD1-CD2 3.64Å; F38-L54 HydrophobicContact CD2-CD2 3.72Å; F38-L54 HydrophobicContact CE1-CD2 4.09Å; F38-L54 HydrophobicContact CE2-CD2 4.12Å; F38-L54 HydrophobicContact CG-CD2 3.46Å; F38-L54 VanDerWaalsContact CG-CD2 3.46Å; F38-L54 HydrophobicContact CZ-CD2 4.31Å; F50-L54 HydrophobicContact CD1-CB 4.35Å; F50-L54 HydrophobicContact CE1-CB 3.94Å; F50-L54 HydrophobicContact CE1-CD1 4.38Å; F50-L54 HydrophobicContact CE1-CD2 3.94Å; F50-L54 HydrophobicContact CE1-CG 4.32Å; F50-L54 HydrophobicContact CZ-CB 4.15Å; F50-L54 HydrophobicContact CZ-CD1 4.3Å; F50-L54 PolarHBondContact O-N 3.33Å; A51-L54 PolarHBondContact O-N 2.87Å; L54-F57 HydrophobicContact CD1-CD1 4.29Å; L54-F57 PolarHBondContact O-N 2.84Å; L54-F58 WeakPolarHBondContact O-CB 3.5Å; L54-F58 PolarHBondContact O-N 3.44Å; L54-L75 HydrophobicContact CD1-CD1 4.11Å; L54-L75 HydrophobicContact CD2-CD1 3.96Å; L54-L75 HydrophobicContact CG-CD1 3.96Å; L54-W98 HydrophobicContact CD2-CH2 3.94Å; L54-W98 HydrophobicContact CD2-CZ2 4.38Å; L54-W98 HydrophobicContact CG-CH2 4.1Å; L54-W98 HydrophobicContact CG-CZ2 4.13Å; L54-I141 HydrophobicContact CD1-CD1 4.02Å
55K93.1Very high90.4Very high81 Ų8160.3 Ų60.335%0.35231%0.312SS..Hα-helixtrans-60.2-52.5174176174.5179.6175.10111.4A51 P52 V53 F57 F58 V59 D93 P95A51-K55 VanDerWaalsContact O-CB 3.32Å; A51-K55 WeakPolarHBondContact O-CB 2.79Å; A51-K55 PolarHBondContact O-N 3.11Å; P52-K55 PolarHBondContact O-N 3.43Å; V53-K55 VanDerWaalsContact C-N 3.34Å; K55-F57 VanDerWaalsContact C-N 3.34Å; K55-F57 PolarHBondContact O-N 2.76Å; K55-F58 PolarHBondContact O-N 3.05Å; K55-V59 WeakPolarHBondContact O-CB 3.3Å; K55-V59 VanDerWaalsContact O-CG2 3.3Å; K55-V59 WeakPolarHBondContact O-CG2 3.45Å; K55-V59 PolarHBondContact O-N 2.97Å; K55-D93 PolarHBondContact NZ-O 3.06Å; K55-P95 HydrophobicContact CD-CG 4.45Å; K55-P95 HydrophobicContact CG-CG 3.86Å
56D93Very high89.8Confident66 Ų6661 Ų6135%0.35330%0.303SS..Hα-helixtrans-61.1-43.6178.4-177.963.1000111.3P52 V53 F58 V59 R60P52-D56 WeakPolarHBondContact O-CB 3.45Å; P52-D56 PolarHBondContact O-N 2.82Å; V53-D56 PolarHBondContact O-N 3.01Å; D56-F58 PolarHBondContact O-N 3.31Å; D56-V59 PolarHBondContact O-N 2.91Å; D56-R60 WeakPolarHBondContact O-CB 3.31Å; D56-R60 VanDerWaalsContact O-CG 3.25Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 3.03Å; D56-R60 IonicContact OD1-CZ 3.96Å; D56-R60 IonicContact OD1-NE 3.92Å; D56-R60 PolarHBondContact OD1-NE 2.82Å; D56-R60 IonicContact OD1-NH2 3.27Å; D56-R60 PolarHBondContact OD1-NH2 2.95Å; D56-R60 IonicContact OD2-CZ 3.91Å; D56-R60 IonicContact OD2-NE 2.63Å; D56-R60 PolarHBondContact OD2-NE 3.37Å; D56-R60 IonicContact OD2-NH2 2.71Å; D56-R60 PolarHBondContact OD2-NH2 2.75Å
57F94.1Very high89.2Confident3 Ų356.7 Ų56.71%0.01329%0.286CS..Hα-helixtrans-54.8-51173.7171.4-95.9000112.1L36 V53 L54 K55 L61 L73 I141 G145 P146 C148 F149 W152L36-F57 HydrophobicContact CD2-CE1 3.94Å; V53-F57 VanDerWaalsContact O-CB 3.3Å; V53-F57 WeakPolarHBondContact O-CB 3.12Å; V53-F57 PolarHBondContact O-N 3.13Å; L54-F57 HydrophobicContact CD1-CD1 4.29Å; L54-F57 PolarHBondContact O-N 2.84Å; K55-F57 VanDerWaalsContact C-N 3.34Å; K55-F57 PolarHBondContact O-N 2.76Å; F57-L61 HydrophobicContact CD1-CD1 4.16Å; F57-L61 HydrophobicContact CD2-CD1 4.11Å; F57-L61 HydrophobicContact CE1-CD1 3.61Å; F57-L61 HydrophobicContact CE2-CD1 3.56Å; F57-L61 HydrophobicContact CG-CD1 4.39Å; F57-L61 HydrophobicContact CZ-CD1 3.28Å; F57-L61 WeakPolarHBondContact O-CG 3.09Å; F57-L61 PolarHBondContact O-N 3.09Å; F57-L73 HydrophobicContact CE1-CD2 4.07Å; F57-I141 HydrophobicContact CB-CG2 4.1Å; F57-I141 HydrophobicContact CD1-CG2 4.48Å; F57-I141 HydrophobicContact CD2-CG2 4.1Å; F57-I141 HydrophobicContact CG-CG2 3.97Å; F57-G145 VanDerWaalsContact CE2-O 3.32Å; F57-G145 WeakPolarHBondContact CE2-O 3.24Å; F57-P146 HydrophobicContact CD2-CG 4.5Å; F57-C148 WeakPolarHBondContact CE2-SG 3.37Å; F57-F149 HydrophobicContact CZ-CB 4.45Å; F57-W152 HydrophobicContact CE1-CZ3 4.24Å; F57-W152 HydrophobicContact CZ-CH2 4.15Å; F57-W152 AromaticContact CZ-CZ3 3.7Å; F57-W152 HydrophobicContact CZ-CZ3 3.7Å
58F91.4Very high88.2Confident6 Ų665.9 Ų65.93%0.02633%0.334CS..Hα-helixtrans-65.7-43.9-178.1-174.9-89.6000111.9L54 K55 D56 L61 T62 L73 L75 K97 W98L54-F58 WeakPolarHBondContact O-CB 3.5Å; L54-F58 PolarHBondContact O-N 3.44Å; K55-F58 PolarHBondContact O-N 3.05Å; D56-F58 PolarHBondContact O-N 3.31Å; F58-L61 PolarHBondContact O-N 3.07Å; F58-T62 HydrophobicContact CD1-CG2 4.3Å; F58-T62 WeakPolarHBondContact CD1-OG1 3.36Å; F58-T62 HydrophobicContact CD2-CG2 4.38Å; F58-T62 HydrophobicContact CE1-CG2 3.95Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.17Å; F58-T62 HydrophobicContact CE2-CG2 4.05Å; F58-T62 HydrophobicContact CZ-CG2 3.83Å; F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 3.39Å; F58-T62 PolarHBondContact O-OG1 2.74Å; F58-L73 HydrophobicContact CD2-CD2 4.02Å; F58-L73 HydrophobicContact CE2-CD2 4.35Å; F58-L73 HydrophobicContact CE2-CG 4.44Å; F58-L75 HydrophobicContact CD2-CB 3.85Å; F58-L75 HydrophobicContact CD2-CD1 4.13Å; F58-L75 HydrophobicContact CE2-CB 3.66Å; F58-K97 HydrophobicContact CE1-CB 3.76Å; F58-K97 HydrophobicContact CE1-CD 4.34Å; F58-K97 HydrophobicContact CZ-CB 4.2Å; F58-W98 AromaticContact CD1-CD1 3.84Å; F58-W98 AromaticContact CD1-NE1 3.44Å; F58-W98 AromaticContact CE1-CD1 3.81Å; F58-W98 AromaticContact CE1-NE1 3.91Å; F58-W98 AromaticContact CG-NE1 3.49Å
59V90.7Very high87.4Confident34 Ų3470.5 Ų70.521%0.20635%0.346CS..Hα-helixtrans-63.6-45.6179.6170.80000110.6K55 D56 L61 T62 D63 Y66 P95K55-V59 WeakPolarHBondContact O-CB 3.3Å; K55-V59 VanDerWaalsContact O-CG2 3.3Å; K55-V59 WeakPolarHBondContact O-CG2 3.45Å; K55-V59 PolarHBondContact O-N 2.97Å; D56-V59 PolarHBondContact O-N 2.91Å; V59-L61 PolarHBondContact O-N 3.29Å; V59-L61 VanDerWaalsContact O-N 3.15Å; V59-T62 PolarHBondContact O-N 3.33Å; V59-T62 VanDerWaalsContact O-N 3.14Å; V59-D63 HydrophobicContact CG1-CB 3.92Å; V59-D63 WeakPolarHBondContact O-CB 3.2Å; V59-D63 PolarHBondContact O-N 2.85Å; V59-Y66 HydrophobicContact CG1-CD2 4.05Å; V59-Y66 HydrophobicContact CG1-CE2 3.67Å; V59-P95 HydrophobicContact CG2-CG 4.19Å
60R90.1Very high86.8Confident104 Ų10469.7 Ų69.739%0.39234%0.34SS..Hα-helixtrans-60.3-26.9178.3-74.6177.5-172.2-111.22.9113.9D56 Y66 V67 P146D56-R60 WeakPolarHBondContact O-CB 3.31Å; D56-R60 VanDerWaalsContact O-CG 3.25Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 3.03Å; D56-R60 IonicContact OD1-CZ 3.96Å; D56-R60 IonicContact OD1-NE 3.92Å; D56-R60 PolarHBondContact OD1-NE 2.82Å; D56-R60 IonicContact OD1-NH2 3.27Å; D56-R60 PolarHBondContact OD1-NH2 2.95Å; D56-R60 IonicContact OD2-CZ 3.91Å; D56-R60 IonicContact OD2-NE 2.63Å; D56-R60 PolarHBondContact OD2-NE 3.37Å; D56-R60 IonicContact OD2-NH2 2.71Å; D56-R60 PolarHBondContact OD2-NH2 2.75Å; R60-Y66 HydrophobicContact CG-CD1 4.22Å; R60-Y66 HydrophobicContact CG-CD2 4.42Å; R60-Y66 HydrophobicContact CG-CE1 4.41Å; R60-Y66 HydrophobicContact CG-CG 4.22Å; R60-Y66 WeakPolarHBondContact O-CB 3.31Å; R60-V67 WeakPolarHBondContact O-CG1 3.46Å; R60-P146 HydrophobicContact CB-CG 3.92Å; R60-P146 HydrophobicContact CG-CG 4.49Å
61L87.6Confident86.1Confident15 Ų1570.5 Ų70.58%0.07935%0.346CS..Hα-helixtrans-90.9-21.8179.2-70.2174.7000113.4F57 F58 V59 A71 L73 P146 F149F57-L61 HydrophobicContact CD1-CD1 4.16Å; F57-L61 HydrophobicContact CD2-CD1 4.11Å; F57-L61 HydrophobicContact CE1-CD1 3.61Å; F57-L61 HydrophobicContact CE2-CD1 3.56Å; F57-L61 HydrophobicContact CG-CD1 4.39Å; F57-L61 HydrophobicContact CZ-CD1 3.28Å; F57-L61 WeakPolarHBondContact O-CG 3.09Å; F57-L61 PolarHBondContact O-N 3.09Å; F58-L61 PolarHBondContact O-N 3.07Å; V59-L61 PolarHBondContact O-N 3.29Å; V59-L61 VanDerWaalsContact O-N 3.15Å; L61-A71 HydrophobicContact CB-CB 3.95Å; L61-A71 WeakPolarHBondContact O-CB 3.31Å; L61-A71 PolarHBondContact O-N 3.42Å; L61-L73 HydrophobicContact CB-CD2 4.41Å; L61-L73 HydrophobicContact CD1-CD2 3.87Å; L61-P146 HydrophobicContact CD2-CB 3.98Å; L61-P146 HydrophobicContact CG-CB 4.25Å; L61-F149 HydrophobicContact CD1-CB 3.72Å; L61-F149 HydrophobicContact CD1-CD2 4.24Å; L61-F149 HydrophobicContact CD1-CG 3.99Å; L61-F149 HydrophobicContact CD2-CB 4.01Å; L61-F149 HydrophobicContact CD2-CD1 4.19Å; L61-F149 HydrophobicContact CD2-CG 4.16Å
62T84.4Confident85.8Confident11 Ų1175.5 Ų75.57%0.06737%0.369CS..Hα-helixtrans-121.6-9.9-168.462.70000114.8F58 V59 L73 K97F58-T62 HydrophobicContact CD1-CG2 4.3Å; F58-T62 WeakPolarHBondContact CD1-OG1 3.36Å; F58-T62 HydrophobicContact CD2-CG2 4.38Å; F58-T62 HydrophobicContact CE1-CG2 3.95Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.17Å; F58-T62 HydrophobicContact CE2-CG2 4.05Å; F58-T62 HydrophobicContact CZ-CG2 3.83Å; F58-T62 WeakPolarHBondContact O-CB 3.41Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 3.39Å; F58-T62 PolarHBondContact O-OG1 2.74Å; V59-T62 PolarHBondContact O-N 3.33Å; V59-T62 VanDerWaalsContact O-N 3.14Å; T62-L73 HydrophobicContact CG2-CB 4.4Å; T62-K97 PolarHBondContact O-NZ 3.13Å
63D85.3Confident85.5Confident58 Ų5872 Ų7231%0.3135%0.347SS..  trans-97.7134.3-178.8-161-74.1000111.7V59 F65 Y66 V67V59-D63 HydrophobicContact CG1-CB 3.92Å; V59-D63 WeakPolarHBondContact O-CB 3.2Å; V59-D63 PolarHBondContact O-N 2.85Å; D63-F65 PolarHBondContact O-N 3.2Å; D63-F65 WeakPolarHBondContact OD1-CB 3.33Å; D63-F65 PolarHBondContact OD1-N 3.03Å; D63-Y66 HydrophobicContact CB-CD2 4.11Å; D63-Y66 PolarHBondContact O-N 2.85Å; D63-V67 VanDerWaalsContact O-CG2 3.32Å; D63-V67 WeakPolarHBondContact O-CG2 3.45Å; D63-V67 PolarHBondContact O-N 3.37Å; D63-V67 VanDerWaalsContact O-N 3.11Å
64E79.8Confident85.2Confident173 Ų17369.8 Ų69.881%0.80833%0.334SS*.THydrogen-bonded Turntrans-64.7-20.7-177.2-62.7-179.4177.900112.5Y66 V67E64-Y66 VanDerWaalsContact C-N 3.28Å; E64-Y66 PolarHBondContact O-N 2.98Å; E64-V67 WeakPolarHBondContact CA-O 3.34Å
65F81.4Confident85.2Confident163 Ų16369.8 Ų69.872%0.71533%0.334SS*.THydrogen-bonded Turntrans-63.9-34173-176.4-98000112.4D63D63-F65 PolarHBondContact O-N 3.2Å; D63-F65 WeakPolarHBondContact OD1-CB 3.33Å; D63-F65 PolarHBondContact OD1-N 3.03Å
66Y78.6Confident85.2Confident111 Ų11166 Ų6644%0.43532%0.317SS..THydrogen-bonded Turntrans-99.8-29.7-176.5-64.6-76.4000113.2V59 R60 D63 E64V59-Y66 HydrophobicContact CG1-CD2 4.05Å; V59-Y66 HydrophobicContact CG1-CE2 3.67Å; R60-Y66 HydrophobicContact CG-CD1 4.22Å; R60-Y66 HydrophobicContact CG-CD2 4.42Å; R60-Y66 HydrophobicContact CG-CE1 4.41Å; R60-Y66 HydrophobicContact CG-CG 4.22Å; R60-Y66 WeakPolarHBondContact O-CB 3.31Å; D63-Y66 HydrophobicContact CB-CD2 4.11Å; D63-Y66 PolarHBondContact O-N 2.85Å; E64-Y66 VanDerWaalsContact C-N 3.28Å; E64-Y66 PolarHBondContact O-N 2.98Å
67V78.4Confident85.3Confident43 Ų4362.8 Ų62.826%0.26130%0.3SS..  trans-135.1139.5-175.1-69.90000112.4R60 D63 E64 R69R60-V67 WeakPolarHBondContact O-CG1 3.46Å; D63-V67 VanDerWaalsContact O-CG2 3.32Å; D63-V67 WeakPolarHBondContact O-CG2 3.45Å; D63-V67 PolarHBondContact O-N 3.37Å; D63-V67 VanDerWaalsContact O-N 3.11Å; E64-V67 WeakPolarHBondContact CA-O 3.34Å; V67-R69 WeakPolarHBondContact CG2-O 3.4Å; V67-R69 PolarHBondContact O-N 3Å
68L72Confident85.3Confident193 Ų19362.7 Ų62.7100%1.0130%0.3SS*.SBendtrans-65.1-25.1175.4-68.6171.8000113.1
69R74.1Confident85.4Confident214 Ų21462.4 Ų62.481%0.80830%0.299SS*.SBendtrans-138.8122.1177-178-178.5-70.1-138.50108.3V67 A71V67-R69 WeakPolarHBondContact CG2-O 3.4Å; V67-R69 PolarHBondContact O-N 3Å; R69-A71 PolarHBondContact O-N 3.14Å
70A78.6Confident85.5Confident52 Ų5264 Ų6443%0.4330%0.304SS..  trans-57.2133.5174.300000110.6
71A81.2Confident85.5Confident17 Ų1759.4 Ų59.414%0.1429%0.287CS..  trans-57.8146.1173.100000110.5L61 R69 L73 F149L61-A71 HydrophobicContact CB-CB 3.95Å; L61-A71 WeakPolarHBondContact O-CB 3.31Å; L61-A71 PolarHBondContact O-N 3.42Å; R69-A71 PolarHBondContact O-N 3.14Å; A71-L73 HydrophobicContact CB-CB 4.2Å; A71-L73 PolarHBondContact O-N 2.95Å; A71-F149 HydrophobicContact CB-CD1 4.28Å; A71-F149 HydrophobicContact CB-CE1 3.71Å; A71-F149 HydrophobicContact CB-CE2 4.14Å; A71-F149 HydrophobicContact CB-CZ 3.65Å
72Q84.9Confident85.5Confident108 Ų10863.3 Ų63.351%0.50531%0.313SS..SBendtrans-76.769.3172.4-69.5179.971.300109.1N32 R33 L34N32-Q72 PolarHBondContact O-OE1 2.81Å; R33-Q72 CarbonylContact C-O 3.58Å; R33-Q72 VanDerWaalsContact CA-O 3.27Å; R33-Q72 WeakPolarHBondContact CA-O 3.5Å; R33-Q72 WeakPolarHBondContact CB-O 3.26Å; R33-Q72 HydrophobicContact CG-CB 4.08Å; L34-Q72 PolarHBondContact N-O 3.03Å
73L87.1Confident85.8Confident4 Ų465.2 Ų65.22%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-128.6137.9-174.2-16667.1000109.7L34 L36 F57 F58 L61 T62 A71 F149L34-L73 HydrophobicContact CB-CD1 3.8Å; L34-L73 CarbonylContact O-C 3.5Å; L34-L73 WeakPolarHBondContact O-CA 3.2Å; L36-L73 HydrophobicContact CD1-CD1 3.23Å; L36-L73 HydrophobicContact CD1-CG 4.12Å; F57-L73 HydrophobicContact CE1-CD2 4.07Å; F58-L73 HydrophobicContact CD2-CD2 4.02Å; F58-L73 HydrophobicContact CE2-CD2 4.35Å; F58-L73 HydrophobicContact CE2-CG 4.44Å; L61-L73 HydrophobicContact CB-CD2 4.41Å; L61-L73 HydrophobicContact CD1-CD2 3.87Å; T62-L73 HydrophobicContact CG2-CB 4.4Å; A71-L73 HydrophobicContact CB-CB 4.2Å; A71-L73 PolarHBondContact O-N 2.95Å; L73-F149 HydrophobicContact CB-CE2 4.18Å; L73-F149 HydrophobicContact CD1-CD2 3.99Å; L73-F149 HydrophobicContact CD1-CE2 3.84Å; L73-F149 HydrophobicContact CG-CE2 4.49Å
74A89.9Confident86.1Confident9 Ų966.3 Ų66.37%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-129.9148.7168.700000109.2L30 L34 V35 L36L30-A74 HydrophobicContact CD2-CB 3.86Å; L34-A74 PolarHBondContact O-N 3.16Å; V35-A74 CarbonylContact C-O 3.58Å; V35-A74 WeakPolarHBondContact CA-O 3.36Å; V35-A74 HydrophobicContact CG2-CB 4.26Å; L36-A74 PolarHBondContact N-O 3.01Å
75L93.3Very high86.6Confident1 Ų163.7 Ų63.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-125.1129.5177.9-171153.4000108.9L36 F38 L54 F58 W98 L99L36-L75 HydrophobicContact CB-CB 4.46Å; L36-L75 HydrophobicContact CB-CD1 4.45Å; L36-L75 HydrophobicContact CB-CG 4.19Å; L36-L75 WeakPolarHBondContact O-CA 3.49Å; F38-L75 HydrophobicContact CB-CD2 4.28Å; L54-L75 HydrophobicContact CD1-CD1 4.11Å; L54-L75 HydrophobicContact CD2-CD1 3.96Å; L54-L75 HydrophobicContact CG-CD1 3.96Å; F58-L75 HydrophobicContact CD2-CB 3.85Å; F58-L75 HydrophobicContact CD2-CD1 4.13Å; F58-L75 HydrophobicContact CE2-CB 3.66Å; L75-W98 HydrophobicContact CD1-CD2 4.27Å; L75-W98 HydrophobicContact CD1-CH2 4.27Å; L75-W98 HydrophobicContact CD1-CZ2 3.74Å; L75-W98 HydrophobicContact CD2-CB 4.39Å; L75-W98 HydrophobicContact CD2-CD2 3.55Å; L75-W98 HydrophobicContact CD2-CE3 3.66Å; L75-W98 HydrophobicContact CD2-CG 3.9Å; L75-W98 HydrophobicContact CD2-CH2 4.47Å; L75-W98 HydrophobicContact CD2-CZ2 4.38Å; L75-W98 HydrophobicContact CD2-CZ3 4.11Å; L75-W98 HydrophobicContact CG-CD2 4.4Å; L75-L99 PolarHBondContact O-N 3.31Å
76V93.9Very high87Confident0 Ų058.9 Ų58.90%030%0.296CS..EExtended strand (participates in β ladder)trans-118.3115.2175.5-1770000107.9F5 L10 L30 V35 L36 L37 F38 V78 L99F5-V76 HydrophobicContact CE1-CG1 4.3Å; F5-V76 HydrophobicContact CZ-CG1 4.22Å; F5-V76 HydrophobicContact CZ-CG2 4.28Å; L10-V76 HydrophobicContact CD1-CG2 4.27Å; L10-V76 HydrophobicContact CD2-CG1 4.06Å; L30-V76 HydrophobicContact CD2-CG2 4.42Å; V35-V76 HydrophobicContact CG1-CG2 3.95Å; L36-V76 PolarHBondContact O-N 3.48Å; L37-V76 WeakPolarHBondContact CA-O 3.17Å; L37-V76 HydrophobicContact CD2-CB 3.83Å; L37-V76 HydrophobicContact CD2-CG1 4.19Å; L37-V76 HydrophobicContact CD2-CG2 4.45Å; F38-V76 PolarHBondContact N-O 3.05Å; V76-V78 HydrophobicContact CG1-CG2 4.49Å; V76-L99 CarbonylContact C-O 3.5Å; V76-L99 VanDerWaalsContact CA-O 3.31Å; V76-L99 WeakPolarHBondContact CA-O 3.45Å; V76-L99 HydrophobicContact CG2-CB 4.18Å; V76-L99 HydrophobicContact CG2-CD1 4.41Å
77Y94.8Very high87.7Confident0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-81.2126173.6177-121000110.5F38 G40 D81 Q87 F90 L91 L99 F100 L101F38-Y77 AromaticContact CD1-CD2 3.44Å; F38-Y77 HydrophobicContact CD1-CD2 3.44Å; F38-Y77 VanDerWaalsContact CD1-CD2 3.44Å; F38-Y77 AromaticContact CD1-CE2 3.92Å; F38-Y77 HydrophobicContact CD1-CE2 3.92Å; F38-Y77 AromaticContact CE1-CD2 3.82Å; F38-Y77 HydrophobicContact CE1-CD2 3.82Å; F38-Y77 AromaticContact CE1-CE2 3.82Å; F38-Y77 HydrophobicContact CE1-CE2 3.82Å; F38-Y77 HydrophobicContact CG-CD2 4.29Å; F38-Y77 WeakPolarHBondContact O-CD2 3.35Å; G40-Y77 PolarHBondContact O-OH 3.19Å; Y77-D81 PolarHBondContact OH-OD2 3.39Å; Y77-D81 VanDerWaalsContact OH-OD2 3.06Å; Y77-Q87 HydrophobicContact CE1-CG 4.32Å; Y77-F90 HydrophobicContact CD2-CE1 4.21Å; Y77-F90 AromaticContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CE1 4.38Å; Y77-F90 HydrophobicContact CE2-CD1 4.02Å; Y77-F90 AromaticContact CE2-CE1 3.78Å; Y77-F90 HydrophobicContact CE2-CE1 3.78Å; Y77-F90 AromaticContact CZ-CD1 3.59Å; Y77-F90 AromaticContact CZ-CE1 3.87Å; Y77-L91 HydrophobicContact CD1-CD1 4.34Å; Y77-L91 HydrophobicContact CD1-CD2 3.63Å; Y77-L91 HydrophobicContact CD1-CG 4.03Å; Y77-L91 HydrophobicContact CE1-CD2 4.22Å; Y77-L91 HydrophobicContact CE1-CG 4.18Å; Y77-L91 HydrophobicContact CG-CD2 4.32Å; Y77-L99 PolarHBondContact N-O 3.03Å; Y77-F100 HydrophobicContact CD1-CB 4.12Å; Y77-F100 WeakPolarHBondContact O-CA 3.47Å; Y77-L101 PolarHBondContact O-N 3.4Å; Y77-L101 VanDerWaalsContact O-N 3.16Å
78V94.4Very high88.2Confident0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-114.593.7176.8-172.90000107.5L37 F38 F39 V76 Q80 L101 R108 L111L37-V78 HydrophobicContact CD2-CG2 4.37Å; F38-V78 PolarHBondContact O-N 2.71Å; F39-V78 HydrophobicContact CD1-CB 3.79Å; F39-V78 HydrophobicContact CD1-CG1 3.81Å; F39-V78 HydrophobicContact CD1-CG2 4.46Å; F39-V78 HydrophobicContact CE1-CB 3.88Å; F39-V78 HydrophobicContact CE1-CG1 3.72Å; F39-V78 HydrophobicContact CE1-CG2 4.15Å; F39-V78 HydrophobicContact CG-CB 4.43Å; F39-V78 HydrophobicContact CZ-CG2 4.42Å; V76-V78 HydrophobicContact CG1-CG2 4.49Å; V78-Q80 PolarHBondContact O-N 2.63Å; V78-L101 HydrophobicContact CG1-CD1 4.14Å; V78-L101 HydrophobicContact CG2-CD1 4.07Å; V78-R108 HydrophobicContact CG1-CB 4.18Å; V78-R108 HydrophobicContact CG1-CG 4.35Å; V78-L111 HydrophobicContact CG2-CD1 4.07Å
79S93.3Very high89.1Confident1 Ų150.3 Ų50.31%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-59.9135.8179.5172.40000110.9D81 R108S79-D81 VanDerWaalsContact OG-CB 3.26Å; S79-D81 WeakPolarHBondContact OG-CB 3.47Å; S79-D81 PolarHBondContact OG-N 2.71Å; S79-D81 PolarHBondContact OG-OD2 3.17Å; S79-R108 VanDerWaalsContact O-CZ 3.25Å; S79-R108 PolarHBondContact O-NE 3.27Å; S79-R108 PolarHBondContact O-NH2 2.93Å; S79-R108 PolarHBondContact OG-NH2 3.13Å
80Q91.8Very high89.9Confident68 Ų6840.9 Ų40.932%0.31822%0.221SC..  trans-11019.7166.2-61.4-61.5-55.400111.2G40 A41 V78 R108 L120G40-Q80 PolarHBondContact O-N 3.05Å; A41-Q80 HydrophobicContact CB-CB 4.45Å; V78-Q80 PolarHBondContact O-N 2.63Å; Q80-R108 PolarHBondContact NE2-O 3.07Å; Q80-L120 HydrophobicContact CB-CD1 3.72Å; Q80-L120 HydrophobicContact CG-CD1 4.1Å; Q80-L120 HydrophobicContact CG-CD2 3.99Å
81D90.4Very high90.4Very high6 Ų638.6 Ų38.63%0.03220%0.202CC..  trans-71145.7179.4-65.6-71.1000111.8A41 G42 Y77 S79 T83 Q86 F103 R108A41-D81 VanDerWaalsContact C-OD1 3.31Å; A41-D81 VanDerWaalsContact CA-OD1 3.25Å; A41-D81 WeakPolarHBondContact CA-OD1 3.22Å; A41-D81 WeakPolarHBondContact CB-OD1 3.27Å; G42-D81 PolarHBondContact N-OD1 3Å; G42-D81 PolarHBondContact N-OD2 2.8Å; Y77-D81 PolarHBondContact OH-OD2 3.39Å; Y77-D81 VanDerWaalsContact OH-OD2 3.06Å; S79-D81 VanDerWaalsContact OG-CB 3.26Å; S79-D81 WeakPolarHBondContact OG-CB 3.47Å; S79-D81 PolarHBondContact OG-N 2.71Å; S79-D81 PolarHBondContact OG-OD2 3.17Å; D81-T83 VanDerWaalsContact C-N 3.32Å; D81-Q86 HydrophobicContact CB-CB 3.96Å; D81-F103 WeakPolarHBondContact O-CE2 3.41Å; D81-R108 PolarHBondContact O-NH2 3.45Å
82P87.6Confident90.8Very high97 Ų9747.3 Ų47.363%0.6323%0.231SC*.SBendtrans-72.1-21.5173.729.7-37.3000113.7
83T91.4Very high90.9Very high52 Ų5247.6 Ų47.632%0.31924%0.236SC..SBendtrans-135.6153.3-179.785.70000112.3D81 E85 Q86 Q87 F103D81-T83 VanDerWaalsContact C-N 3.32Å; T83-E85 VanDerWaalsContact C-N 3.33Å; T83-E85 WeakPolarHBondContact CB-OE2 3.3Å; T83-E85 PolarHBondContact OG1-OE2 2.75Å; T83-Q86 PolarHBondContact O-N 3.01Å; T83-Q87 PolarHBondContact O-N 3.27Å; T83-F103 VanDerWaalsContact C-CZ 3.43Å; T83-F103 VanDerWaalsContact CA-CZ 3.5Å; T83-F103 VanDerWaalsContact O-CE2 3.27Å; T83-F103 WeakPolarHBondContact O-CE2 3.42Å
84E91.6Very high91Very high81 Ų8148.4 Ų48.438%0.37924%0.24SC..Hα-helixtrans-64.5-38.8-179.5-176.6171.5-15300111.4Q86 Q87 D88 F103 H104E84-Q86 PolarHBondContact O-N 3.22Å; E84-Q87 WeakPolarHBondContact O-CA 3.46Å; E84-Q87 WeakPolarHBondContact O-CB 3.4Å; E84-Q87 PolarHBondContact O-N 2.65Å; E84-D88 PolarHBondContact O-N 3.28Å; E84-F103 HydrophobicContact CB-CB 4.09Å; E84-F103 HydrophobicContact CB-CD1 3.85Å; E84-F103 HydrophobicContact CB-CD2 4.12Å; E84-F103 HydrophobicContact CB-CE1 4.36Å; E84-F103 HydrophobicContact CB-CG 3.74Å; E84-F103 HydrophobicContact CG-CB 3.92Å; E84-F103 HydrophobicContact CG-CG 4.15Å; E84-H104 IonicContact OE2-NE2 3.81Å
85E90.6Very high90.9Very high117 Ų11749 Ų4955%0.54724%0.243SC..Hα-helixtrans-62.4-32.2-179-53.879.9-175.500111.9T83 L89T83-E85 VanDerWaalsContact C-N 3.33Å; T83-E85 WeakPolarHBondContact CB-OE2 3.3Å; T83-E85 PolarHBondContact OG1-OE2 2.75Å; E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 WeakPolarHBondContact O-CG 3.46Å; E85-L89 PolarHBondContact O-N 2.69Å
86Q89.9Confident90.5Very high63 Ų6354.8 Ų54.829%0.29427%0.27SS..Hα-helixtrans-72-38.8176.6-70.5-179.9-12.700112D81 T83 E84 F90D81-Q86 HydrophobicContact CB-CB 3.96Å; T83-Q86 PolarHBondContact O-N 3.01Å; E84-Q86 PolarHBondContact O-N 3.22Å; Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 3.13Å; Q86-F90 VanDerWaalsContact O-N 3.09Å
87Q91.7Very high90.2Very high2 Ų259.9 Ų59.91%0.00929%0.292CS..Hα-helixtrans-60.8-47.6172161.5170.5-20.800110.3Y77 T83 E84 F90 L91 F100 L101 F103Y77-Q87 HydrophobicContact CE1-CG 4.32Å; T83-Q87 PolarHBondContact O-N 3.27Å; E84-Q87 WeakPolarHBondContact O-CA 3.46Å; E84-Q87 WeakPolarHBondContact O-CB 3.4Å; E84-Q87 PolarHBondContact O-N 2.65Å; Q87-F90 PolarHBondContact O-N 3.48Å; Q87-L91 HydrophobicContact CG-CD1 3.71Å; Q87-L91 HydrophobicContact CG-CG 4.44Å; Q87-L91 WeakPolarHBondContact O-CB 3.38Å; Q87-L91 WeakPolarHBondContact O-CG 3.45Å; Q87-L91 PolarHBondContact O-N 2.82Å; Q87-F100 VanDerWaalsContact NE2-CD2 3.28Å; Q87-L101 PolarHBondContact NE2-O 3.02Å; Q87-F103 HydrophobicContact CB-CD2 4.31Å
88D90.3Very high90Very high58 Ų5859.9 Ų59.931%0.3129%0.292SS..Hα-helixtrans-63-47.1-179.5-71.4-16.7000111.7E84 F90 L91 R92E84-D88 PolarHBondContact O-N 3.28Å; D88-F90 VanDerWaalsContact C-N 3.26Å; D88-F90 PolarHBondContact O-N 3Å; D88-L91 PolarHBondContact O-N 2.85Å; D88-L91 VanDerWaalsContact O-N 3.14Å; D88-R92 VanDerWaalsContact O-CG 3.31Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 2.92Å
89L90.3Very high89.9Confident106 Ų10660.2 Ų60.256%0.55529%0.294SS*.Hα-helixtrans-57.4-41176.9-76.3170.6000111.9E85E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 WeakPolarHBondContact O-CG 3.46Å; E85-L89 PolarHBondContact O-N 2.69Å
90F90.4Very high89.9Confident17 Ų1760.3 Ų60.38%0.07529%0.294CS..Hα-helixtrans-65.3-45.1176.4-178.4-94.6000111.7F38 A51 Y77 Q86 Q87 D88 R92 D93 M94 W98F38-F90 AromaticContact CE1-CE1 3.87Å; F38-F90 HydrophobicContact CE1-CE1 3.87Å; F38-F90 AromaticContact CE1-CZ 3.68Å; F38-F90 HydrophobicContact CE1-CZ 3.68Å; F38-F90 HydrophobicContact CZ-CZ 4.27Å; A51-F90 HydrophobicContact CB-CE2 3.62Å; A51-F90 HydrophobicContact CB-CZ 3.61Å; Y77-F90 HydrophobicContact CD2-CE1 4.21Å; Y77-F90 AromaticContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CE1 4.38Å; Y77-F90 HydrophobicContact CE2-CD1 4.02Å; Y77-F90 AromaticContact CE2-CE1 3.78Å; Y77-F90 HydrophobicContact CE2-CE1 3.78Å; Y77-F90 AromaticContact CZ-CD1 3.59Å; Y77-F90 AromaticContact CZ-CE1 3.87Å; Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 3.13Å; Q86-F90 VanDerWaalsContact O-N 3.09Å; Q87-F90 PolarHBondContact O-N 3.48Å; D88-F90 VanDerWaalsContact C-N 3.26Å; D88-F90 PolarHBondContact O-N 3Å; F90-R92 VanDerWaalsContact C-N 3.33Å; F90-R92 PolarHBondContact O-N 3.43Å; F90-D93 PolarHBondContact O-N 3.09Å; F90-M94 HydrophobicContact CD1-CG 4.17Å; F90-M94 HydrophobicContact CE1-CE 4.17Å; F90-M94 HydrophobicContact CE1-CG 3.83Å; F90-M94 HydrophobicContact CE1-SD 4.06Å; F90-M94 HydrophobicContact CE2-CE 4.05Å; F90-M94 HydrophobicContact CZ-CE 3.84Å; F90-M94 HydrophobicContact CZ-CG 4.4Å; F90-M94 HydrophobicContact CZ-SD 4.05Å; F90-M94 WeakPolarHBondContact O-CG 3.43Å; F90-W98 HydrophobicContact CE1-CZ3 4.43Å
91L90.3Very high89.9Confident3 Ų357.1 Ų57.12%0.01628%0.279CS..Hα-helixtrans-66.2-30.7-177.3-79.6174000113.5N13 Y77 Q87 D88 D93 M94 F100N13-L91 PolarHBondContact ND2-O 2.86Å; N13-L91 WeakPolarHBondContact OD1-CB 3.44Å; N13-L91 PolarHBondContact OD1-O 3.2Å; Y77-L91 HydrophobicContact CD1-CD1 4.34Å; Y77-L91 HydrophobicContact CD1-CD2 3.63Å; Y77-L91 HydrophobicContact CD1-CG 4.03Å; Y77-L91 HydrophobicContact CE1-CD2 4.22Å; Y77-L91 HydrophobicContact CE1-CG 4.18Å; Y77-L91 HydrophobicContact CG-CD2 4.32Å; Q87-L91 HydrophobicContact CG-CD1 3.71Å; Q87-L91 HydrophobicContact CG-CG 4.44Å; Q87-L91 WeakPolarHBondContact O-CB 3.38Å; Q87-L91 WeakPolarHBondContact O-CG 3.45Å; Q87-L91 PolarHBondContact O-N 2.82Å; D88-L91 PolarHBondContact O-N 2.85Å; D88-L91 VanDerWaalsContact O-N 3.14Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å; L91-M94 WeakPolarHBondContact O-CB 3.33Å; L91-M94 PolarHBondContact O-N 2.78Å; L91-F100 HydrophobicContact CD1-CB 4.19Å; L91-F100 HydrophobicContact CD1-CD1 3.82Å; L91-F100 HydrophobicContact CD1-CD2 3.63Å; L91-F100 HydrophobicContact CD1-CE1 4Å; L91-F100 HydrophobicContact CD1-CE2 3.82Å; L91-F100 HydrophobicContact CD1-CG 3.62Å; L91-F100 HydrophobicContact CD1-CZ 3.99Å; L91-F100 HydrophobicContact CD2-CB 4.19Å; L91-F100 HydrophobicContact CD2-CD1 4.21Å; L91-F100 HydrophobicContact CD2-CG 4.26Å
92R88.6Confident89.9Confident200 Ų20058.2 Ų58.276%0.75529%0.287SS*.THydrogen-bonded Turntrans-56.3-30.5178.2-74.3176.688.8-176.68.1114.2D88 F90D88-R92 VanDerWaalsContact O-CG 3.31Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 2.92Å; F90-R92 VanDerWaalsContact C-N 3.33Å; F90-R92 PolarHBondContact O-N 3.43Å
93D86.7Confident89.9Confident115 Ų11555.2 Ų55.262%0.61526%0.264SS*.THydrogen-bonded Turntrans-91.8-4.1179.6-69.6-30.4000113K55 F90 L91K55-D93 PolarHBondContact NZ-O 3.06Å; F90-D93 PolarHBondContact O-N 3.09Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å
94M90.2Very high89.8Confident21 Ų2159.7 Ų59.710%0.10328%0.281CS..SBendtrans-92.8156.8-176-61.1-55.2124.500112.6N13 A51 F90 L91 W98N13-M94 PolarHBondContact ND2-O 3.47Å; A51-M94 HydrophobicContact CB-CE 3.88Å; A51-M94 HydrophobicContact CB-SD 4.43Å; F90-M94 HydrophobicContact CD1-CG 4.17Å; F90-M94 HydrophobicContact CE1-CE 4.17Å; F90-M94 HydrophobicContact CE1-CG 3.83Å; F90-M94 HydrophobicContact CE1-SD 4.06Å; F90-M94 HydrophobicContact CE2-CE 4.05Å; F90-M94 HydrophobicContact CZ-CE 3.84Å; F90-M94 HydrophobicContact CZ-CG 4.4Å; F90-M94 HydrophobicContact CZ-SD 4.05Å; F90-M94 WeakPolarHBondContact O-CG 3.43Å; L91-M94 WeakPolarHBondContact O-CB 3.33Å; L91-M94 PolarHBondContact O-N 2.78Å; M94-W98 HydrophobicContact CB-CD2 4.09Å; M94-W98 HydrophobicContact CB-CE3 3.59Å; M94-W98 HydrophobicContact CB-CZ3 3.85Å; M94-W98 HydrophobicContact CG-CE3 3.72Å; M94-W98 HydrophobicContact CG-CH2 4.17Å; M94-W98 HydrophobicContact CG-CZ3 3.47Å; M94-W98 VanDerWaalsContact CG-CZ3 3.47Å; M94-W98 HydrophobicContact SD-CE3 4.14Å; M94-W98 HydrophobicContact SD-CH2 3.45Å; M94-W98 WeakPolarHBondContact SD-CH2 3.42Å; M94-W98 HydrophobicContact SD-CZ2 4.31Å; M94-W98 HydrophobicContact SD-CZ3 3.36Å; M94-W98 WeakPolarHBondContact SD-CZ3 3.42Å
95P88Confident89.6Confident20 Ų2056.9 Ų56.913%0.1327%0.268CS..  trans-60.4144.3177.9-23.534.3000113.6N13 K55 V59 K97 W98N13-P95 PolarHBondContact ND2-O 3.28Å; K55-P95 HydrophobicContact CD-CG 4.45Å; K55-P95 HydrophobicContact CG-CG 3.86Å; V59-P95 HydrophobicContact CG2-CG 4.19Å; P95-K97 PolarHBondContact O-N 3.05Å; P95-W98 HydrophobicContact CB-CG 4.39Å; P95-W98 HydrophobicContact CG-CZ2 4.45Å; P95-W98 WeakPolarHBondContact O-CB 3.27Å; P95-W98 PolarHBondContact O-N 2.81Å; P95-W98 VanDerWaalsContact O-N 3.08Å
96E85.1Confident89.5Confident124 Ų12456.4 Ų56.458%0.57927%0.27SS*.THydrogen-bonded Turntrans-63.9-23.2177.1-59.7178.6175.300113.4N13 N14 W98N13-E96 WeakPolarHBondContact O-CA 3.46Å; N14-E96 HydrophobicContact CB-CB 4.27Å; E96-W98 PolarHBondContact O-N 2.85Å
97K86.2Confident89.4Confident107 Ų10754.1 Ų54.147%0.46526%0.26SS..THydrogen-bonded Turntrans-71.1-11.5176.5-71.5178.2-179.8170.10113F58 T62 P95F58-K97 HydrophobicContact CE1-CB 3.76Å; F58-K97 HydrophobicContact CE1-CD 4.34Å; F58-K97 HydrophobicContact CZ-CB 4.2Å; T62-K97 PolarHBondContact O-NZ 3.13Å; P95-K97 PolarHBondContact O-N 3.05Å
98W91.7Very high89.3Confident0 Ų055.1 Ų55.10%026%0.263CS..  trans-74.1144.2177.7-71.615.7000110.6N13 F38 L54 F58 L75 F90 M94 P95 E96N13-W98 HydrophobicContact CB-CB 4.33Å; N13-W98 PolarHBondContact N-O 3.37Å; F38-W98 HydrophobicContact CD1-CZ3 4.26Å; L54-W98 HydrophobicContact CD2-CH2 3.94Å; L54-W98 HydrophobicContact CD2-CZ2 4.38Å; L54-W98 HydrophobicContact CG-CH2 4.1Å; L54-W98 HydrophobicContact CG-CZ2 4.13Å; F58-W98 AromaticContact CD1-CD1 3.84Å; F58-W98 AromaticContact CD1-NE1 3.44Å; F58-W98 AromaticContact CE1-CD1 3.81Å; F58-W98 AromaticContact CE1-NE1 3.91Å; F58-W98 AromaticContact CG-NE1 3.49Å; L75-W98 HydrophobicContact CD1-CD2 4.27Å; L75-W98 HydrophobicContact CD1-CH2 4.27Å; L75-W98 HydrophobicContact CD1-CZ2 3.74Å; L75-W98 HydrophobicContact CD2-CB 4.39Å; L75-W98 HydrophobicContact CD2-CD2 3.55Å; L75-W98 HydrophobicContact CD2-CE3 3.66Å; L75-W98 HydrophobicContact CD2-CG 3.9Å; L75-W98 HydrophobicContact CD2-CH2 4.47Å; L75-W98 HydrophobicContact CD2-CZ2 4.38Å; L75-W98 HydrophobicContact CD2-CZ3 4.11Å; L75-W98 HydrophobicContact CG-CD2 4.4Å; F90-W98 HydrophobicContact CE1-CZ3 4.43Å; M94-W98 HydrophobicContact CB-CD2 4.09Å; M94-W98 HydrophobicContact CB-CE3 3.59Å; M94-W98 HydrophobicContact CB-CZ3 3.85Å; M94-W98 HydrophobicContact CG-CE3 3.72Å; M94-W98 HydrophobicContact CG-CH2 4.17Å; M94-W98 HydrophobicContact CG-CZ3 3.47Å; M94-W98 VanDerWaalsContact CG-CZ3 3.47Å; M94-W98 HydrophobicContact SD-CE3 4.14Å; M94-W98 HydrophobicContact SD-CH2 3.45Å; M94-W98 WeakPolarHBondContact SD-CH2 3.42Å; M94-W98 HydrophobicContact SD-CZ2 4.31Å; M94-W98 HydrophobicContact SD-CZ3 3.36Å; M94-W98 WeakPolarHBondContact SD-CZ3 3.42Å; P95-W98 HydrophobicContact CB-CG 4.39Å; P95-W98 HydrophobicContact CG-CZ2 4.45Å; P95-W98 WeakPolarHBondContact O-CB 3.27Å; P95-W98 PolarHBondContact O-N 2.81Å; P95-W98 VanDerWaalsContact O-N 3.08Å; E96-W98 PolarHBondContact O-N 2.85Å
99L91.8Very high89.3Confident6 Ų659.8 Ų59.83%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-100.6153.2168.6-57.7176.1000108.2L10 I11 R12 L30 L75 V76 Y77L10-L99 HydrophobicContact CD1-CD1 4.04Å; I11-L99 CarbonylContact O-C 3.51Å; I11-L99 WeakPolarHBondContact O-CA 3.36Å; R12-L99 HydrophobicContact CG-CD2 3.73Å; L30-L99 HydrophobicContact CD2-CD1 3.98Å; L75-L99 PolarHBondContact O-N 3.31Å; V76-L99 CarbonylContact C-O 3.5Å; V76-L99 VanDerWaalsContact CA-O 3.31Å; V76-L99 WeakPolarHBondContact CA-O 3.45Å; V76-L99 HydrophobicContact CG2-CB 4.18Å; V76-L99 HydrophobicContact CG2-CD1 4.41Å; Y77-L99 PolarHBondContact N-O 3.03Å
100F92.9Very high89.3Confident4 Ų458.4 Ų58.42%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-145.4160.817468-88.8000111.4I11 R12 N13 Y77 Q87 L91I11-F100 HydrophobicContact CB-CD1 4.14Å; I11-F100 HydrophobicContact CB-CD2 4.18Å; I11-F100 HydrophobicContact CB-CE1 3.67Å; I11-F100 HydrophobicContact CB-CE2 3.73Å; I11-F100 HydrophobicContact CB-CG 4.39Å; I11-F100 HydrophobicContact CB-CZ 3.46Å; I11-F100 VanDerWaalsContact CB-CZ 3.46Å; I11-F100 HydrophobicContact CD1-CE2 3.9Å; I11-F100 HydrophobicContact CD1-CZ 4.16Å; I11-F100 HydrophobicContact CG1-CE2 4.32Å; I11-F100 HydrophobicContact CG1-CZ 4.39Å; I11-F100 HydrophobicContact CG2-CD1 4.4Å; I11-F100 HydrophobicContact CG2-CE1 3.49Å; I11-F100 VanDerWaalsContact CG2-CE1 3.49Å; I11-F100 HydrophobicContact CG2-CE2 4.03Å; I11-F100 HydrophobicContact CG2-CZ 3.27Å; I11-F100 PolarHBondContact N-O 3.19Å; I11-F100 WeakPolarHBondContact O-CD1 3.23Å; I11-F100 PolarHBondContact O-N 2.83Å; R12-F100 WeakPolarHBondContact O-CE1 3.36Å; N13-F100 HydrophobicContact CB-CD1 4.23Å; N13-F100 HydrophobicContact CB-CE1 4.36Å; Y77-F100 HydrophobicContact CD1-CB 4.12Å; Y77-F100 WeakPolarHBondContact O-CA 3.47Å; Q87-F100 VanDerWaalsContact NE2-CD2 3.28Å; L91-F100 HydrophobicContact CD1-CB 4.19Å; L91-F100 HydrophobicContact CD1-CD1 3.82Å; L91-F100 HydrophobicContact CD1-CD2 3.63Å; L91-F100 HydrophobicContact CD1-CE1 4Å; L91-F100 HydrophobicContact CD1-CE2 3.82Å; L91-F100 HydrophobicContact CD1-CG 3.62Å; L91-F100 HydrophobicContact CD1-CZ 3.99Å; L91-F100 HydrophobicContact CD2-CB 4.19Å; L91-F100 HydrophobicContact CD2-CD1 4.21Å; L91-F100 HydrophobicContact CD2-CG 4.26Å
101L91.6Very high89.3Confident0 Ų057.6 Ų57.60%027%0.266CS..  trans-87.1139.5174-75.5168.7000111.3L10 Y77 V78 Q87 F103 L107 R108 L111L10-L101 HydrophobicContact CD2-CD2 3.45Å; L10-L101 VanDerWaalsContact CD2-CD2 3.45Å; L10-L101 HydrophobicContact CD2-CG 4.02Å; Y77-L101 PolarHBondContact O-N 3.4Å; Y77-L101 VanDerWaalsContact O-N 3.16Å; V78-L101 HydrophobicContact CG1-CD1 4.14Å; V78-L101 HydrophobicContact CG2-CD1 4.07Å; Q87-L101 PolarHBondContact NE2-O 3.02Å; L101-F103 PolarHBondContact O-N 3.13Å; L101-L107 HydrophobicContact CD1-CB 4.41Å; L101-L107 HydrophobicContact CD1-CD2 4.13Å; L101-L107 HydrophobicContact CD1-CG 4.24Å; L101-L107 HydrophobicContact CD2-CD2 3.8Å; L101-R108 HydrophobicContact CB-CG 3.92Å; L101-R108 HydrophobicContact CD1-CG 4.13Å; L101-L111 HydrophobicContact CD1-CD1 3.67Å
102P91.1Very high89.2Confident30 Ų3058 Ų5820%0.19527%0.271CS..  trans-51.6141170.1-20.227.6000110.8I9 I11 H104 D105 R108I9-P102 HydrophobicContact CB-CG 4.48Å; I9-P102 WeakPolarHBondContact O-CD 3.46Å; I11-P102 HydrophobicContact CD1-CB 4.12Å; I11-P102 HydrophobicContact CD1-CG 3.82Å; I11-P102 HydrophobicContact CG1-CG 4.13Å; P102-H104 PolarHBondContact O-N 2.88Å; P102-D105 HydrophobicContact CB-CB 4.38Å; P102-D105 WeakPolarHBondContact O-CB 3.43Å; P102-D105 PolarHBondContact O-N 2.85Å; P102-D105 VanDerWaalsContact O-N 3.07Å; P102-R108 WeakPolarHBondContact O-CD 3.4Å
103F88.6Confident89.2Confident34 Ų3456.7 Ų56.715%0.14927%0.266CS..THydrogen-bonded Turntrans-58.7-38.4-176.9-178-93.9000111.5D81 T83 E84 Q87 L101 D105 R108D81-F103 WeakPolarHBondContact O-CE2 3.41Å; T83-F103 VanDerWaalsContact C-CZ 3.43Å; T83-F103 VanDerWaalsContact CA-CZ 3.5Å; T83-F103 VanDerWaalsContact O-CE2 3.27Å; T83-F103 WeakPolarHBondContact O-CE2 3.42Å; E84-F103 HydrophobicContact CB-CB 4.09Å; E84-F103 HydrophobicContact CB-CD1 3.85Å; E84-F103 HydrophobicContact CB-CD2 4.12Å; E84-F103 HydrophobicContact CB-CE1 4.36Å; E84-F103 HydrophobicContact CB-CG 3.74Å; E84-F103 HydrophobicContact CG-CB 3.92Å; E84-F103 HydrophobicContact CG-CG 4.15Å; Q87-F103 HydrophobicContact CB-CD2 4.31Å; L101-F103 PolarHBondContact O-N 3.13Å; F103-D105 VanDerWaalsContact C-N 3.27Å; F103-D105 PolarHBondContact O-N 2.9Å; F103-R108 WeakPolarHBondContact O-CD 3.25Å; F103-R108 PolarHBondContact O-NH1 2.83Å
104H87.5Confident89.3Confident145 Ų14556.6 Ų56.667%0.67126%0.262SS*.THydrogen-bonded Turntrans-812.9-179-61.1-61.2000115.1E84 P102 D106E84-H104 IonicContact OE2-NE2 3.81Å; P102-H104 PolarHBondContact O-N 2.88Å; H104-D106 PolarHBondContact O-N 3.33Å
105D88.7Confident89.3Confident22 Ų2257 Ų5712%0.11826%0.263CS..  trans-79.4122.4178.9-161-22.6000111.7R8 P102 F103 L107 R108R8-D105 IonicContact CZ-OD1 3.88Å; R8-D105 IonicContact NH1-OD1 2.93Å; R8-D105 PolarHBondContact NH1-OD1 3.34Å; P102-D105 HydrophobicContact CB-CB 4.38Å; P102-D105 WeakPolarHBondContact O-CB 3.43Å; P102-D105 PolarHBondContact O-N 2.85Å; P102-D105 VanDerWaalsContact O-N 3.07Å; F103-D105 VanDerWaalsContact C-N 3.27Å; F103-D105 PolarHBondContact O-N 2.9Å; D105-L107 PolarHBondContact O-N 3.08Å; D105-L107 VanDerWaalsContact O-N 3.14Å; D105-L107 WeakPolarHBondContact OD1-CB 3.3Å; D105-L107 PolarHBondContact OD1-N 3.33Å; D105-R108 WeakPolarHBondContact O-CB 3.22Å; D105-R108 WeakPolarHBondContact O-CG 3.35Å; D105-R108 PolarHBondContact O-N 3.2Å
106D87.9Confident89.4Confident107 Ų10760 Ų6057%0.57228%0.284SS*.THydrogen-bonded Turntrans-58.7-24.1175.1-72.3-41.7000112.7H104 R108 R109 D110H104-D106 PolarHBondContact O-N 3.33Å; D106-R108 PolarHBondContact O-N 3.3Å; D106-R108 VanDerWaalsContact O-N 3.08Å; D106-R109 PolarHBondContact O-N 2.82Å; D106-D110 PolarHBondContact O-N 3.01Å
107L88.5Confident89.5Confident16 Ų1655.9 Ų55.98%0.08427%0.268CS..Hα-helixtrans-55.6-29.8178.2-172.266.6000112.2F5 R8 L101 D105 R109 D110 L111F5-L107 HydrophobicContact CD1-CD2 3.72Å; F5-L107 HydrophobicContact CE1-CD2 4.08Å; R8-L107 HydrophobicContact CB-CD2 4.36Å; R8-L107 HydrophobicContact CG-CD2 4.14Å; L101-L107 HydrophobicContact CD1-CB 4.41Å; L101-L107 HydrophobicContact CD1-CD2 4.13Å; L101-L107 HydrophobicContact CD1-CG 4.24Å; L101-L107 HydrophobicContact CD2-CD2 3.8Å; D105-L107 PolarHBondContact O-N 3.08Å; D105-L107 VanDerWaalsContact O-N 3.14Å; D105-L107 WeakPolarHBondContact OD1-CB 3.3Å; D105-L107 PolarHBondContact OD1-N 3.33Å; L107-R109 PolarHBondContact O-N 3.01Å; L107-D110 PolarHBondContact O-N 2.63Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CD2 4.2Å; L107-L111 HydrophobicContact CD1-CG 3.93Å; L107-L111 HydrophobicContact CD2-CD1 4.1Å; L107-L111 HydrophobicContact CG-CD1 3.77Å; L107-L111 HydrophobicContact CG-CD2 4.47Å; L107-L111 HydrophobicContact CG-CG 3.83Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.19Å; L107-L111 PolarHBondContact O-N 3.15Å
108R90Very high89.4Confident23 Ų2361.9 Ų61.99%0.08729%0.287CS..Hα-helixtrans-54-40.2174.8-68.5171.955.8-157.53.4112.4V78 S79 Q80 D81 L101 P102 F103 D105 D106V78-R108 HydrophobicContact CG1-CB 4.18Å; V78-R108 HydrophobicContact CG1-CG 4.35Å; S79-R108 VanDerWaalsContact O-CZ 3.25Å; S79-R108 PolarHBondContact O-NE 3.27Å; S79-R108 PolarHBondContact O-NH2 2.93Å; S79-R108 PolarHBondContact OG-NH2 3.13Å; Q80-R108 PolarHBondContact NE2-O 3.07Å; D81-R108 PolarHBondContact O-NH2 3.45Å; L101-R108 HydrophobicContact CB-CG 3.92Å; L101-R108 HydrophobicContact CD1-CG 4.13Å; P102-R108 WeakPolarHBondContact O-CD 3.4Å; F103-R108 WeakPolarHBondContact O-CD 3.25Å; F103-R108 PolarHBondContact O-NH1 2.83Å; D105-R108 WeakPolarHBondContact O-CB 3.22Å; D105-R108 WeakPolarHBondContact O-CG 3.35Å; D105-R108 PolarHBondContact O-N 3.2Å; D106-R108 PolarHBondContact O-N 3.3Å; D106-R108 VanDerWaalsContact O-N 3.08Å
109R88.9Confident89.2Confident155 Ų15570.6 Ų70.659%0.58532%0.32SS*.Hα-helixtrans-83.2-38.2-178.7-58.3-179.572.1177.24.7111.1D106 L107 G112 R113D106-R109 PolarHBondContact O-N 2.82Å; L107-R109 PolarHBondContact O-N 3.01Å; R109-G112 PolarHBondContact O-N 2.84Å; R109-R113 WeakPolarHBondContact O-CG 3.26Å; R109-R113 PolarHBondContact O-N 3.42Å; R109-R113 VanDerWaalsContact O-N 3.08Å
110D90.6Very high89.2Confident77 Ų7772.4 Ų72.441%0.41233%0.33SS..Hα-helixtrans-65.6-43.8179.7-70.7-18.8000111.6D106 L107 G112 R113 Q114D106-D110 PolarHBondContact O-N 3.01Å; L107-D110 PolarHBondContact O-N 2.63Å; D110-G112 PolarHBondContact O-N 3.44Å; D110-R113 PolarHBondContact O-N 2.81Å; D110-Q114 VanDerWaalsContact O-CB 3.26Å; D110-Q114 WeakPolarHBondContact O-CB 3.39Å; D110-Q114 PolarHBondContact O-N 3.44Å
111L90.5Very high89.2Confident1 Ų173 Ų731%0.00533%0.334CS..Hα-helixtrans-62-42.8175.1-67.5171.5000111.5F5 F39 V78 L101 L107 R113 Q114 F115F5-L111 HydrophobicContact CE1-CD1 4.26Å; F39-L111 HydrophobicContact CE1-CB 3.95Å; F39-L111 HydrophobicContact CZ-CB 4.03Å; V78-L111 HydrophobicContact CG2-CD1 4.07Å; L101-L111 HydrophobicContact CD1-CD1 3.67Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CD2 4.2Å; L107-L111 HydrophobicContact CD1-CG 3.93Å; L107-L111 HydrophobicContact CD2-CD1 4.1Å; L107-L111 HydrophobicContact CG-CD1 3.77Å; L107-L111 HydrophobicContact CG-CD2 4.47Å; L107-L111 HydrophobicContact CG-CG 3.83Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.19Å; L107-L111 PolarHBondContact O-N 3.15Å; L111-R113 VanDerWaalsContact C-N 3.27Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-Q114 PolarHBondContact O-N 3.27Å; L111-F115 HydrophobicContact CB-CD2 4.4Å; L111-F115 HydrophobicContact CD2-CD2 4.45Å; L111-F115 HydrophobicContact CD2-CE2 3.76Å; L111-F115 VanDerWaalsContact O-CD2 3.24Å; L111-F115 WeakPolarHBondContact O-CD2 3.42Å; L111-F115 PolarHBondContact O-N 3.18Å
112G87.7Confident89.4Confident11 Ų1173.2 Ų73.211%0.11334%0.336CS..Hα-helixtrans-59.4-38.9176.900000112.4R109 D110 S116 V117R109-G112 PolarHBondContact O-N 2.84Å; D110-G112 PolarHBondContact O-N 3.44Å; G112-S116 PolarHBondContact O-N 2.85Å; G112-V117 PolarHBondContact O-N 3.24Å
113R89.1Confident89.6Confident172 Ų17271.8 Ų71.865%0.64933%0.327SS*.Hα-helixtrans-72.5-46.6174.9-70.1174.2179.5-174.80.3112.2R109 D110 L111 F115 S116R109-R113 WeakPolarHBondContact O-CG 3.26Å; R109-R113 PolarHBondContact O-N 3.42Å; R109-R113 VanDerWaalsContact O-N 3.08Å; D110-R113 PolarHBondContact O-N 2.81Å; L111-R113 VanDerWaalsContact C-N 3.27Å; L111-R113 PolarHBondContact O-N 3.4Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.07Å; R113-S116 PolarHBondContact O-N 3.07Å
114Q89.8Confident89.9Confident114 Ų11470.2 Ų70.253%0.53332%0.32SS..Hα-helixtrans-58.3-44.4-177.7-176.7178.410.800111.4D110 L111 S116D110-Q114 VanDerWaalsContact O-CB 3.26Å; D110-Q114 WeakPolarHBondContact O-CB 3.39Å; D110-Q114 PolarHBondContact O-N 3.44Å; L111-Q114 PolarHBondContact O-N 3.27Å; Q114-S116 VanDerWaalsContact C-N 3.31Å
115F89.6Confident90.2Very high29 Ų2963.3 Ų63.313%0.12729%0.288CS..THydrogen-bonded Turntrans-90.77.4178.2-60.8-65.9000113.6L37 F39 L111 R113 V117 V124 L126 V132L37-F115 HydrophobicContact CD1-CD2 3.88Å; L37-F115 HydrophobicContact CD1-CE2 3.36Å; L37-F115 HydrophobicContact CD1-CZ 3.96Å; F39-F115 HydrophobicContact CZ-CD2 4.12Å; L111-F115 HydrophobicContact CB-CD2 4.4Å; L111-F115 HydrophobicContact CD2-CD2 4.45Å; L111-F115 HydrophobicContact CD2-CE2 3.76Å; L111-F115 VanDerWaalsContact O-CD2 3.24Å; L111-F115 WeakPolarHBondContact O-CD2 3.42Å; L111-F115 PolarHBondContact O-N 3.18Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.07Å; F115-V117 VanDerWaalsContact C-N 3.27Å; F115-V117 HydrophobicContact CB-CG2 4.2Å; F115-V117 PolarHBondContact O-N 3.23Å; F115-V124 HydrophobicContact CB-CG2 3.87Å; F115-V124 HydrophobicContact CD1-CG1 3.92Å; F115-V124 HydrophobicContact CE1-CG1 4.29Å; F115-V124 HydrophobicContact CG-CG1 4.18Å; F115-V124 HydrophobicContact CG-CG2 4.17Å; F115-L126 HydrophobicContact CE1-CD2 3.89Å; F115-L126 HydrophobicContact CZ-CD1 4.39Å; F115-L126 HydrophobicContact CZ-CD2 3.99Å; F115-V132 HydrophobicContact CD1-CG2 3.68Å; F115-V132 HydrophobicContact CE1-CG2 3.4Å
116S89.2Confident90.4Very high83 Ų8362.2 Ų62.258%0.5828%0.282SS*.THydrogen-bonded Turntrans52.242.9177.3-64.50000113.4G112 R113 Q114 R118G112-S116 PolarHBondContact O-N 2.85Å; R113-S116 PolarHBondContact O-N 3.07Å; Q114-S116 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.92Å; S116-R118 VanDerWaalsContact O-N 3.14Å
117V88.3Confident90.5Very high37 Ų3758.1 Ų58.122%0.22426%0.259CS..  trans-69.4110.3179.91800000109.2F39 G112 F115 L120 A122F39-V117 HydrophobicContact CB-CG1 4.11Å; F39-V117 HydrophobicContact CD1-CG2 4.15Å; F39-V117 HydrophobicContact CD2-CG2 3.76Å; F39-V117 HydrophobicContact CE1-CG2 4.19Å; F39-V117 HydrophobicContact CE2-CG2 3.82Å; F39-V117 HydrophobicContact CG-CG1 4.23Å; F39-V117 HydrophobicContact CG-CG2 3.94Å; F39-V117 HydrophobicContact CZ-CG2 4.03Å; G112-V117 PolarHBondContact O-N 3.24Å; F115-V117 VanDerWaalsContact C-N 3.27Å; F115-V117 HydrophobicContact CB-CG2 4.2Å; F115-V117 PolarHBondContact O-N 3.23Å; V117-L120 HydrophobicContact CG1-CD2 4.1Å; V117-A122 HydrophobicContact CG1-CB 3.71Å
118R82.9Confident90.2Very high233 Ų23358.9 Ų58.988%0.87927%0.265SS*.  trans-101-23.2-177.5-66.2-178.9-174.9-1761.2113.9S116S116-R118 PolarHBondContact O-N 2.92Å; S116-R118 VanDerWaalsContact O-N 3.14Å
119R88.3Confident89.6Confident183 Ų18360.1 Ų60.169%0.69129%0.285SS*.SBendtrans-137151.1-174.4-60.8-173.1-58-168.24.8109.1A122R119-A122 WeakPolarHBondContact O-CB 3.41Å
120L91.1Very high89.2Confident45 Ų4553.6 Ų53.624%0.23627%0.265CS..SBendtrans-119143175.7-58.9175.4000108.6F39 A41 Q46 Q80 V117F39-L120 HydrophobicContact CB-CD2 3.79Å; A41-L120 HydrophobicContact CB-CD1 4.24Å; Q46-L120 PolarHBondContact OE1-O 2.86Å; Q80-L120 HydrophobicContact CB-CD1 3.72Å; Q80-L120 HydrophobicContact CG-CD1 4.1Å; Q80-L120 HydrophobicContact CG-CD2 3.99Å; V117-L120 HydrophobicContact CG1-CD2 4.1Å
121P93.8Very high89Confident16 Ų1654.9 Ų54.910%0.10427%0.273CS..SBendcis-68.8152.3-5.828.6-33.3000112.1F38 F50 T138F38-P121 HydrophobicContact CE2-CB 3.78Å; F38-P121 HydrophobicContact CZ-CB 4.48Å; F50-P121 HydrophobicContact CB-CB 4.35Å; F50-P121 HydrophobicContact CB-CG 3.78Å; F50-P121 HydrophobicContact CD1-CB 3.74Å; F50-P121 HydrophobicContact CD1-CG 3.94Å; F50-P121 HydrophobicContact CE1-CB 4.43Å; F50-P121 HydrophobicContact CG-CB 4.29Å; F50-P121 HydrophobicContact CG-CG 3.97Å; P121-T138 HydrophobicContact CG-CG2 3.96Å
122A95.1Very high89.1Confident5 Ų558 Ų584%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-137.3140.2168.700000110.1F39 V117 R119F39-A122 HydrophobicContact CB-CB 4.39Å; F39-A122 PolarHBondContact N-O 3.38Å; F39-A122 PolarHBondContact O-N 3.06Å; F39-A122 VanDerWaalsContact O-N 3.11Å; V117-A122 HydrophobicContact CG1-CB 3.71Å; R119-A122 WeakPolarHBondContact O-CB 3.41Å
123V96.1Very high89.3Confident0 Ų059.1 Ų59.10%029%0.294CS..EExtended strand (participates in β ladder)trans-122.9111.6176.6-178.80000109.1L36 L37 F38 F50 V125 D136 A137 T138 I141L36-V123 HydrophobicContact CB-CG1 4.12Å; L36-V123 HydrophobicContact CD2-CG1 4Å; L36-V123 HydrophobicContact CG-CG1 3.88Å; L37-V123 WeakPolarHBondContact O-CA 3.28Å; F38-V123 HydrophobicContact CD2-CG2 3.82Å; F50-V123 HydrophobicContact CE1-CG2 3.59Å; F50-V123 HydrophobicContact CZ-CG2 3.88Å; V123-V125 HydrophobicContact CG1-CG2 4.5Å; V123-D136 CarbonylContact O-C 3.59Å; V123-D136 VanDerWaalsContact O-CA 3.3Å; V123-D136 WeakPolarHBondContact O-CA 3.36Å; V123-A137 HydrophobicContact CB-CB 4.17Å; V123-A137 HydrophobicContact CG1-CB 4.18Å; V123-A137 PolarHBondContact O-N 3.45Å; V123-T138 PolarHBondContact N-OG1 2.85Å; V123-I141 HydrophobicContact CB-CD1 4.25Å; V123-I141 HydrophobicContact CG1-CD1 4Å; V123-I141 HydrophobicContact CG2-CD1 4.19Å
124V95.1Very high89.4Confident0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-92.4129.3172.7-1790000108.3L36 L37 F39 F115 L126 V132 T134 S135L36-V124 WeakPolarHBondContact CA-O 3.4Å; L37-V124 HydrophobicContact CB-CB 4.2Å; L37-V124 PolarHBondContact N-O 3.49Å; L37-V124 PolarHBondContact O-N 3.47Å; F39-V124 HydrophobicContact CD2-CG2 4.28Å; F39-V124 HydrophobicContact CE2-CB 4.28Å; F39-V124 HydrophobicContact CE2-CG2 3.68Å; F115-V124 HydrophobicContact CB-CG2 3.87Å; F115-V124 HydrophobicContact CD1-CG1 3.92Å; F115-V124 HydrophobicContact CE1-CG1 4.29Å; F115-V124 HydrophobicContact CG-CG1 4.18Å; F115-V124 HydrophobicContact CG-CG2 4.17Å; V124-L126 HydrophobicContact CG1-CD2 3.88Å; V124-V132 HydrophobicContact CG1-CG1 4.12Å; V124-V132 HydrophobicContact CG1-CG2 4.48Å; V124-T134 WeakPolarHBondContact CA-O 3.48Å; V124-S135 WeakPolarHBondContact CG2-O 3.32Å
125V93.8Very high89.4Confident0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-102.7122.8177-174.90000108.8L36 V123 L133 T134 A137 W152L36-V125 HydrophobicContact CD1-CG1 4.43Å; L36-V125 HydrophobicContact CD1-CG2 4.48Å; L36-V125 HydrophobicContact CG-CG2 4.36Å; V123-V125 HydrophobicContact CG1-CG2 4.5Å; V125-L133 HydrophobicContact CB-CB 4.44Å; V125-L133 HydrophobicContact CG1-CB 4.27Å; V125-L133 HydrophobicContact CG1-CD2 4.08Å; V125-L133 WeakPolarHBondContact O-CB 3.3Å; V125-L133 PolarHBondContact O-N 3.31Å; V125-T134 PolarHBondContact N-O 3.4Å; V125-T134 PolarHBondContact O-N 2.97Å; V125-A137 HydrophobicContact CG2-CB 3.59Å; V125-W152 HydrophobicContact CG1-CD2 4.22Å; V125-W152 HydrophobicContact CG1-CE3 4.16Å; V125-W152 HydrophobicContact CG1-CG 4.49Å; V125-W152 HydrophobicContact CG2-CD2 4.28Å; V125-W152 HydrophobicContact CG2-CE3 4.23Å; V125-W152 HydrophobicContact CG2-CH2 3.94Å; V125-W152 HydrophobicContact CG2-CZ2 4.02Å; V125-W152 HydrophobicContact CG2-CZ3 4.05Å
126L91.5Very high89.6Confident0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-107.9139.6177.7-56.1-179000110.7M1 L4 L34 V35 L37 F115 V124 D131 V132M1-L126 HydrophobicContact CE-CB 3.56Å; L4-L126 HydrophobicContact CD1-CD1 3.55Å; L34-L126 WeakPolarHBondContact CA-O 3.33Å; L34-L126 WeakPolarHBondContact CD2-O 3.45Å; V35-L126 HydrophobicContact CB-CB 4.32Å; V35-L126 PolarHBondContact N-O 3.06Å; V35-L126 PolarHBondContact O-N 2.89Å; L37-L126 HydrophobicContact CD1-CD1 3.77Å; L37-L126 HydrophobicContact CD1-CG 4.34Å; L37-L126 HydrophobicContact CG-CD1 4.11Å; F115-L126 HydrophobicContact CE1-CD2 3.89Å; F115-L126 HydrophobicContact CZ-CD1 4.39Å; F115-L126 HydrophobicContact CZ-CD2 3.99Å; V124-L126 HydrophobicContact CG1-CD2 3.88Å; L126-D131 WeakPolarHBondContact CA-O 3.38Å; L126-V132 HydrophobicContact CD2-CB 4.4Å; L126-V132 HydrophobicContact CD2-CG2 3.84Å
127K89.9Confident89.9Confident21 Ų2148.5 Ų48.59%0.09126%0.257CS..  trans-74.6158.9171.7-58-175.4-155.2159.40111.2M1 G129 G130 D131 L133 L159M1-K127 VanDerWaalsContact CE-C 3.47Å; M1-K127 WeakPolarHBondContact CE-O 3.47Å; K127-G129 PolarHBondContact O-N 3.41Å; K127-G130 WeakPolarHBondContact O-CA 3.06Å; K127-G130 PolarHBondContact O-N 2.82Å; K127-D131 HydrophobicContact CD-CB 4.36Å; K127-D131 PolarHBondContact N-O 3.15Å; K127-L133 HydrophobicContact CD-CD1 4.29Å; K127-L133 HydrophobicContact CG-CB 3.87Å; K127-L133 HydrophobicContact CG-CD1 4.09Å; K127-L133 HydrophobicContact CG-CG 4.44Å; K127-L159 HydrophobicContact CD-CB 4.3Å; K127-L159 HydrophobicContact CD-CD1 4.43Å
128P82.6Confident90.1Very high32 Ų3247.2 Ų47.221%0.20825%0.249CC..THydrogen-bonded Turntrans-51.6-29.6177.1-27.136.3000115.3M1 G130 S156M1-P128 WeakPolarHBondContact CB-O 3.44Å; P128-G130 VanDerWaalsContact C-N 3.29Å; P128-G130 PolarHBondContact O-N 3.13Å; P128-S156 VanDerWaalsContact CD-OG 3.25Å; P128-S156 WeakPolarHBondContact CD-OG 3.38Å
129G77.4Confident90.6Very high49 Ų4941.2 Ų41.251%0.50523%0.234SC..THydrogen-bonded Turntrans-65.9-26.7173.300000114.3M1 K127M1-G129 PolarHBondContact N-O 2.93Å; K127-G129 PolarHBondContact O-N 3.41Å
130G81.3Confident90.8Very high17 Ų1734.5 Ų34.518%0.17521%0.211CC..SBendtrans106.9-4.8-174.500000113.9K127 P128K127-G130 WeakPolarHBondContact O-CA 3.06Å; K127-G130 PolarHBondContact O-N 2.82Å; P128-G130 VanDerWaalsContact C-N 3.29Å; P128-G130 PolarHBondContact O-N 3.13Å
131D86.8Confident91Very high105 Ų10532.4 Ų32.456%0.56120%0.2SC*.  trans-71.2148.2175.2-63.8-35000111.7L126 K127 L133L126-D131 WeakPolarHBondContact CA-O 3.38Å; K127-D131 HydrophobicContact CD-CB 4.36Å; K127-D131 PolarHBondContact N-O 3.15Å; D131-L133 PolarHBondContact O-N 2.95Å
132V91.1Very high90.9Very high66 Ų6636.8 Ų36.840%0.422%0.219SC..EExtended strand (participates in β ladder)trans-69.9121.6173.1-177.30000109.2F115 V124 L126F115-V132 HydrophobicContact CD1-CG2 3.68Å; F115-V132 HydrophobicContact CE1-CG2 3.4Å; V124-V132 HydrophobicContact CG1-CG1 4.12Å; V124-V132 HydrophobicContact CG1-CG2 4.48Å; L126-V132 HydrophobicContact CD2-CB 4.4Å; L126-V132 HydrophobicContact CD2-CG2 3.84Å
133L91.4Very high90.9Very high34 Ų3445.5 Ų45.518%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-86-49.3168.8-172.766.2000110.4L34 V125 K127 D131 W152 A155 L159L34-L133 HydrophobicContact CD2-CD2 4.35Å; V125-L133 HydrophobicContact CB-CB 4.44Å; V125-L133 HydrophobicContact CG1-CB 4.27Å; V125-L133 HydrophobicContact CG1-CD2 4.08Å; V125-L133 WeakPolarHBondContact O-CB 3.3Å; V125-L133 PolarHBondContact O-N 3.31Å; K127-L133 HydrophobicContact CD-CD1 4.29Å; K127-L133 HydrophobicContact CG-CB 3.87Å; K127-L133 HydrophobicContact CG-CD1 4.09Å; K127-L133 HydrophobicContact CG-CG 4.44Å; D131-L133 PolarHBondContact O-N 2.95Å; L133-W152 HydrophobicContact CD2-CB 3.56Å; L133-W152 HydrophobicContact CD2-CG 3.96Å; L133-W152 WeakPolarHBondContact CD2-O 3.3Å; L133-A155 HydrophobicContact CD1-CB 3.87Å; L133-L159 HydrophobicContact CD1-CD1 4.04Å
134T92Very high90.6Very high32 Ų3247.9 Ų47.920%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-139.5128.2-179-56.50000109.4V124 V125 A137V124-T134 WeakPolarHBondContact CA-O 3.48Å; V125-T134 PolarHBondContact N-O 3.4Å; V125-T134 PolarHBondContact O-N 2.97Å; T134-A137 HydrophobicContact CG2-CB 4.13Å
135S90.7Very high90.4Very high85 Ų8548.7 Ų48.759%0.59427%0.272SS*.SBendtrans-78.8-25.4-178.857.10000114V124V124-S135 WeakPolarHBondContact CG2-O 3.32Å
136D93.5Very high90.2Very high59 Ų5950.9 Ų50.932%0.31629%0.286SS..  trans-151.5105.3173-171.21.6000110V123 T138V123-D136 CarbonylContact O-C 3.59Å; V123-D136 VanDerWaalsContact O-CA 3.3Å; V123-D136 WeakPolarHBondContact O-CA 3.36Å; D136-T138 VanDerWaalsContact OD1-CB 3.27Å; D136-T138 WeakPolarHBondContact OD1-CB 3.48Å; D136-T138 PolarHBondContact OD1-N 2.82Å; D136-T138 VanDerWaalsContact OD1-N 3.13Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å
137A94.1Very high90Very high0 Ų054.8 Ų54.80%031%0.314CS..  trans-95.83-178.700000113.1V123 V125 T134 D139 E140 I141 W152V123-A137 HydrophobicContact CB-CB 4.17Å; V123-A137 HydrophobicContact CG1-CB 4.18Å; V123-A137 PolarHBondContact O-N 3.45Å; V125-A137 HydrophobicContact CG2-CB 3.59Å; T134-A137 HydrophobicContact CG2-CB 4.13Å; A137-D139 PolarHBondContact O-N 2.95Å; A137-E140 PolarHBondContact O-N 2.76Å; A137-E140 VanDerWaalsContact O-N 3.15Å; A137-I141 HydrophobicContact CB-CD1 4.13Å; A137-I141 HydrophobicContact CB-CG1 4.44Å; A137-I141 VanDerWaalsContact O-CG1 3.28Å; A137-I141 WeakPolarHBondContact O-CG1 3.43Å; A137-I141 PolarHBondContact O-N 3.28Å; A137-W152 HydrophobicContact CB-CH2 3.85Å; A137-W152 HydrophobicContact CB-CZ2 3.53Å
138T93.6Very high90.1Very high9 Ų953.8 Ų53.86%0.05531%0.309CS..Hα-helixtrans-55.8-52.4-173.7-52.70000111.8F50 P121 V123 D136 E140 I141 Q142F50-T138 HydrophobicContact CD1-CG2 4.31Å; F50-T138 HydrophobicContact CD2-CG2 3.87Å; F50-T138 HydrophobicContact CE1-CG2 4.15Å; F50-T138 HydrophobicContact CE2-CG2 3.72Å; F50-T138 HydrophobicContact CG-CG2 4.16Å; F50-T138 HydrophobicContact CZ-CG2 3.86Å; P121-T138 HydrophobicContact CG-CG2 3.96Å; V123-T138 PolarHBondContact N-OG1 2.85Å; D136-T138 VanDerWaalsContact OD1-CB 3.27Å; D136-T138 WeakPolarHBondContact OD1-CB 3.48Å; D136-T138 PolarHBondContact OD1-N 2.82Å; D136-T138 VanDerWaalsContact OD1-N 3.13Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å; T138-E140 VanDerWaalsContact C-N 3.31Å; T138-E140 PolarHBondContact O-N 3.02Å; T138-I141 PolarHBondContact O-N 3.5Å; T138-Q142 WeakPolarHBondContact O-CG 3.27Å; T138-Q142 PolarHBondContact O-N 3.48Å
139D92.4Very high90.4Very high107 Ų10753.2 Ų53.257%0.57230%0.303SS*.Hα-helixtrans-65.6-35.3179.8-66.3-22.2000111.9A137 Q142 R143A137-D139 PolarHBondContact O-N 2.95Å; D139-Q142 PolarHBondContact O-N 2.86Å; D139-R143 VanDerWaalsContact O-CB 3.28Å; D139-R143 WeakPolarHBondContact O-CB 3.4Å; D139-R143 PolarHBondContact O-N 3.49Å
140E93.6Very high90.9Very high43 Ų4353.6 Ų53.620%0.20130%0.302CS..Hα-helixtrans-67.7-44.1179.6-166.3178.3-17500111.3A137 T138 R143 L144 C148 W152A137-E140 PolarHBondContact O-N 2.76Å; A137-E140 VanDerWaalsContact O-N 3.15Å; T138-E140 VanDerWaalsContact C-N 3.31Å; T138-E140 PolarHBondContact O-N 3.02Å; E140-R143 PolarHBondContact O-N 3.49Å; E140-L144 HydrophobicContact CG-CD1 3.81Å; E140-L144 HydrophobicContact CG-CG 4.44Å; E140-L144 WeakPolarHBondContact O-CB 3.28Å; E140-L144 PolarHBondContact O-N 2.9Å; E140-C148 HydrophobicContact CG-CB 3.76Å; E140-W152 HydrophobicContact CG-CZ2 4.47Å; E140-W152 PolarHBondContact OE2-NE1 2.94Å
141I94.4Very high91.3Very high1 Ų156.5 Ų56.51%0.00531%0.314CS..Hα-helixtrans-62.2-44.9175.6-67.2164.9000110.3L36 F50 V53 L54 F57 V123 A137 T138 R143 G145 W152L36-I141 HydrophobicContact CD2-CD1 4.45Å; F50-I141 HydrophobicContact CE2-CB 4.32Å; F50-I141 HydrophobicContact CE2-CG2 4.13Å; F50-I141 HydrophobicContact CZ-CB 4.34Å; F50-I141 HydrophobicContact CZ-CD1 4.15Å; F50-I141 HydrophobicContact CZ-CG2 4.23Å; V53-I141 HydrophobicContact CG1-CG2 4.36Å; L54-I141 HydrophobicContact CD1-CD1 4.02Å; F57-I141 HydrophobicContact CB-CG2 4.1Å; F57-I141 HydrophobicContact CD1-CG2 4.48Å; F57-I141 HydrophobicContact CD2-CG2 4.1Å; F57-I141 HydrophobicContact CG-CG2 3.97Å; V123-I141 HydrophobicContact CB-CD1 4.25Å; V123-I141 HydrophobicContact CG1-CD1 4Å; V123-I141 HydrophobicContact CG2-CD1 4.19Å; A137-I141 HydrophobicContact CB-CD1 4.13Å; A137-I141 HydrophobicContact CB-CG1 4.44Å; A137-I141 VanDerWaalsContact O-CG1 3.28Å; A137-I141 WeakPolarHBondContact O-CG1 3.43Å; A137-I141 PolarHBondContact O-N 3.28Å; T138-I141 PolarHBondContact O-N 3.5Å; I141-R143 VanDerWaalsContact C-N 3.33Å; I141-R143 PolarHBondContact O-N 3.34Å; I141-G145 VanDerWaalsContact O-CA 3.24Å; I141-G145 WeakPolarHBondContact O-CA 3.46Å; I141-G145 PolarHBondContact O-N 3.47Å; I141-W152 HydrophobicContact CD1-CH2 3.93Å; I141-W152 HydrophobicContact CG1-CH2 3.6Å; I141-W152 HydrophobicContact CG1-CZ2 4.24Å
142Q93.2Very high91.5Very high107 Ų10751.8 Ų51.850%0.529%0.288SS..Hα-helixtrans-63.5-39179.3-74-177.6-29.300112.6F50 V53 T138 D139F50-Q142 HydrophobicContact CD2-CG 3.81Å; F50-Q142 HydrophobicContact CE2-CG 3.81Å; V53-Q142 HydrophobicContact CG1-CG 4.44Å; T138-Q142 WeakPolarHBondContact O-CG 3.27Å; T138-Q142 PolarHBondContact O-N 3.48Å; D139-Q142 PolarHBondContact O-N 2.86Å
143R93.3Very high91.3Very high188 Ų18852.3 Ų52.371%0.70929%0.286SS*.Hα-helixtrans-83.8-42.8-174.6-173.717964.394.51.4113.4D139 E140 I141D139-R143 VanDerWaalsContact O-CB 3.28Å; D139-R143 WeakPolarHBondContact O-CB 3.4Å; D139-R143 PolarHBondContact O-N 3.49Å; E140-R143 PolarHBondContact O-N 3.49Å; I141-R143 VanDerWaalsContact C-N 3.33Å; I141-R143 PolarHBondContact O-N 3.34Å
144L91.4Very high91Very high50 Ų5056.5 Ų56.526%0.26231%0.305SS..Hα-helixtrans-102.4-17.5-172-61.7-178.2000113.2E140 S147 C148E140-L144 HydrophobicContact CG-CD1 3.81Å; E140-L144 HydrophobicContact CG-CG 4.44Å; E140-L144 WeakPolarHBondContact O-CB 3.28Å; E140-L144 PolarHBondContact O-N 2.9Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.85Å; L144-C148 HydrophobicContact CB-CB 4.05Å; L144-C148 HydrophobicContact CD1-CB 4.15Å
145G91.1Very high90.7Very high18 Ų1856.6 Ų56.619%0.18631%0.308CS..G310 helixtrans56.3-143.6-175.300000111.6F57 I141 S147 C148F57-G145 VanDerWaalsContact CE2-O 3.32Å; F57-G145 WeakPolarHBondContact CE2-O 3.24Å; I141-G145 VanDerWaalsContact O-CA 3.24Å; I141-G145 WeakPolarHBondContact O-CA 3.46Å; I141-G145 PolarHBondContact O-N 3.47Å; G145-S147 PolarHBondContact O-N 3.28Å; G145-C148 PolarHBondContact O-N 3.14Å; G145-C148 PolarHBondContact O-SG 3.34Å
146P88.7Confident90.3Very high46 Ų4652.9 Ų52.930%0.29928%0.282SS..G310 helixtrans-55.7-20.8-178.2-27.435.9000115.3F57 R60 L61 C148 F149F57-P146 HydrophobicContact CD2-CG 4.5Å; R60-P146 HydrophobicContact CB-CG 3.92Å; R60-P146 HydrophobicContact CG-CG 4.49Å; L61-P146 HydrophobicContact CD2-CB 3.98Å; L61-P146 HydrophobicContact CG-CB 4.25Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 3.12Å; P146-F149 WeakPolarHBondContact O-CB 3.41Å; P146-F149 PolarHBondContact O-N 3.2Å
147S88.3Confident89.3Confident82 Ų8254.9 Ų54.957%0.57329%0.29SS*.G310 helixtrans-68-24.6-178-51.20000113L144 G145 F149 A150L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.85Å; G145-S147 PolarHBondContact O-N 3.28Å; S147-F149 PolarHBondContact O-N 3.01Å; S147-A150 PolarHBondContact O-N 3.49Å
148C91Very high87.6Confident0 Ų059.5 Ų59.50%031%0.314CS..Hα-helixtrans-65-26.4176.966.10000112.6F57 E140 L144 G145 P146 A150 N151 W152F57-C148 WeakPolarHBondContact CE2-SG 3.37Å; E140-C148 HydrophobicContact CG-CB 3.76Å; L144-C148 HydrophobicContact CB-CB 4.05Å; L144-C148 HydrophobicContact CD1-CB 4.15Å; G145-C148 PolarHBondContact O-N 3.14Å; G145-C148 PolarHBondContact O-SG 3.34Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 3.12Å; C148-A150 VanDerWaalsContact C-N 3.26Å; C148-A150 PolarHBondContact O-N 3.31Å; C148-N151 WeakPolarHBondContact O-CB 3.32Å; C148-N151 PolarHBondContact O-N 2.94Å; C148-N151 VanDerWaalsContact O-N 3.14Å; C148-W152 HydrophobicContact CB-CH2 4.44Å; C148-W152 HydrophobicContact CB-CZ2 4Å; C148-W152 PolarHBondContact O-N 2.88Å; C148-W152 WeakPolarHBondContact SG-CH2 3.16Å; C148-W152 VanDerWaalsContact SG-CZ2 3.56Å
149F89.1Confident85.7Confident19 Ų1963.3 Ų63.38%0.08333%0.334CS..Hα-helixtrans-60.8-37178.4178-97.9000111.9L34 F57 L61 A71 L73 P146 S147 N151 W152 Q153L34-F149 HydrophobicContact CD1-CD2 4.12Å; L34-F149 HydrophobicContact CD1-CE2 3.75Å; L34-F149 HydrophobicContact CG-CE2 4.47Å; F57-F149 HydrophobicContact CZ-CB 4.45Å; L61-F149 HydrophobicContact CD1-CB 3.72Å; L61-F149 HydrophobicContact CD1-CD2 4.24Å; L61-F149 HydrophobicContact CD1-CG 3.99Å; L61-F149 HydrophobicContact CD2-CB 4.01Å; L61-F149 HydrophobicContact CD2-CD1 4.19Å; L61-F149 HydrophobicContact CD2-CG 4.16Å; A71-F149 HydrophobicContact CB-CD1 4.28Å; A71-F149 HydrophobicContact CB-CE1 3.71Å; A71-F149 HydrophobicContact CB-CE2 4.14Å; A71-F149 HydrophobicContact CB-CZ 3.65Å; L73-F149 HydrophobicContact CB-CE2 4.18Å; L73-F149 HydrophobicContact CD1-CD2 3.99Å; L73-F149 HydrophobicContact CD1-CE2 3.84Å; L73-F149 HydrophobicContact CG-CE2 4.49Å; P146-F149 WeakPolarHBondContact O-CB 3.41Å; P146-F149 PolarHBondContact O-N 3.2Å; S147-F149 PolarHBondContact O-N 3.01Å; F149-N151 PolarHBondContact O-N 3.44Å; F149-W152 PolarHBondContact O-N 3.37Å; F149-Q153 HydrophobicContact CE1-CB 4.46Å; F149-Q153 VanDerWaalsContact CE1-OE1 3.29Å; F149-Q153 WeakPolarHBondContact O-CB 3.18Å; F149-Q153 PolarHBondContact O-N 2.97Å
150A87.7Confident83.8Confident58 Ų5863.8 Ų63.848%0.47934%0.336SS..Hα-helixtrans-62.6-43176.500000111.6S147 C148 W152 Q153 E154S147-A150 PolarHBondContact O-N 3.49Å; C148-A150 VanDerWaalsContact C-N 3.26Å; C148-A150 PolarHBondContact O-N 3.31Å; A150-W152 VanDerWaalsContact C-N 3.33Å; A150-W152 PolarHBondContact O-N 2.96Å; A150-Q153 PolarHBondContact O-N 3.43Å; A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.24Å
151N90Very high81.6Confident78 Ų7872 Ų7242%0.41737%0.366SS..Hα-helixtrans-62.6-42.3176.3-60.1-21.5000111.2C148 F149 A155C148-N151 WeakPolarHBondContact O-CB 3.32Å; C148-N151 PolarHBondContact O-N 2.94Å; C148-N151 VanDerWaalsContact O-N 3.14Å; F149-N151 PolarHBondContact O-N 3.44Å; N151-A155 VanDerWaalsContact O-CB 3.22Å; N151-A155 WeakPolarHBondContact O-CB 3.41Å; N151-A155 PolarHBondContact O-N 3.45Å
152W91.1Very high79.2Confident6 Ų675 Ų752%0.02339%0.386CS..Hα-helixtrans-68-39.1178.5-63.2-20.3000112.5L34 L36 F57 V125 L133 A137 E140 I141 C148 F149 A150 A155 S156L34-W152 HydrophobicContact CD1-CB 3.65Å; L36-W152 HydrophobicContact CD1-CZ3 4.43Å; L36-W152 HydrophobicContact CD2-CZ3 4.46Å; F57-W152 HydrophobicContact CE1-CZ3 4.24Å; F57-W152 HydrophobicContact CZ-CH2 4.15Å; F57-W152 AromaticContact CZ-CZ3 3.7Å; F57-W152 HydrophobicContact CZ-CZ3 3.7Å; V125-W152 HydrophobicContact CG1-CD2 4.22Å; V125-W152 HydrophobicContact CG1-CE3 4.16Å; V125-W152 HydrophobicContact CG1-CG 4.49Å; V125-W152 HydrophobicContact CG2-CD2 4.28Å; V125-W152 HydrophobicContact CG2-CE3 4.23Å; V125-W152 HydrophobicContact CG2-CH2 3.94Å; V125-W152 HydrophobicContact CG2-CZ2 4.02Å; V125-W152 HydrophobicContact CG2-CZ3 4.05Å; L133-W152 HydrophobicContact CD2-CB 3.56Å; L133-W152 HydrophobicContact CD2-CG 3.96Å; L133-W152 WeakPolarHBondContact CD2-O 3.3Å; A137-W152 HydrophobicContact CB-CH2 3.85Å; A137-W152 HydrophobicContact CB-CZ2 3.53Å; E140-W152 HydrophobicContact CG-CZ2 4.47Å; E140-W152 PolarHBondContact OE2-NE1 2.94Å; I141-W152 HydrophobicContact CD1-CH2 3.93Å; I141-W152 HydrophobicContact CG1-CH2 3.6Å; I141-W152 HydrophobicContact CG1-CZ2 4.24Å; C148-W152 HydrophobicContact CB-CH2 4.44Å; C148-W152 HydrophobicContact CB-CZ2 4Å; C148-W152 PolarHBondContact O-N 2.88Å; C148-W152 WeakPolarHBondContact SG-CH2 3.16Å; C148-W152 VanDerWaalsContact SG-CZ2 3.56Å; F149-W152 PolarHBondContact O-N 3.37Å; A150-W152 VanDerWaalsContact C-N 3.33Å; A150-W152 PolarHBondContact O-N 2.96Å; W152-A155 PolarHBondContact O-N 3.26Å; W152-S156 VanDerWaalsContact O-CB 3.26Å; W152-S156 WeakPolarHBondContact O-CB 3.25Å; W152-S156 PolarHBondContact O-N 3.15Å
153Q86.4Confident76.9Confident77 Ų7779.6 Ų79.636%0.3641%0.405SS..Hα-helixtrans-63.4-48.7176.5-171.3-177.1-36.700110.4F149 A150 A155 S156 E157F149-Q153 HydrophobicContact CE1-CB 4.46Å; F149-Q153 VanDerWaalsContact CE1-OE1 3.29Å; F149-Q153 WeakPolarHBondContact O-CB 3.18Å; F149-Q153 PolarHBondContact O-N 2.97Å; A150-Q153 PolarHBondContact O-N 3.43Å; Q153-A155 PolarHBondContact O-N 2.92Å; Q153-S156 PolarHBondContact O-N 3.29Å; Q153-E157 PolarHBondContact NE2-OE1 2.94Å; Q153-E157 WeakPolarHBondContact O-CG 3.42Å; Q153-E157 PolarHBondContact O-N 3.07Å
154E86.3Confident74.2Confident122 Ų12277.9 Ų77.957%0.5741%0.409SS*.Hα-helixtrans-60.4-46.2176.6-175.1176.4-169.100111.6A150 S156 E157 L158A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.24Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.31Å; E154-E157 PolarHBondContact O-N 2.71Å; E154-L158 HydrophobicContact CG-CD1 4.01Å; E154-L158 HydrophobicContact CG-CG 4.37Å; E154-L158 WeakPolarHBondContact O-CB 3.43Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.3Å; E154-L158 PolarHBondContact O-N 3.41Å
155A85Confident71.7Confident33 Ų3383.4 Ų83.427%0.27343%0.434SS..Hα-helixtrans-64.2-34.8177.900000112.5L133 N151 W152 Q153 L159L133-A155 HydrophobicContact CD1-CB 3.87Å; N151-A155 VanDerWaalsContact O-CB 3.22Å; N151-A155 WeakPolarHBondContact O-CB 3.41Å; N151-A155 PolarHBondContact O-N 3.45Å; W152-A155 PolarHBondContact O-N 3.26Å; Q153-A155 PolarHBondContact O-N 2.92Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 WeakPolarHBondContact O-CD1 3.18Å; A155-L159 WeakPolarHBondContact O-CG 3.16Å; A155-L159 PolarHBondContact O-N 3.46Å
156S81.5Confident69.2Low7 Ų788 Ų885%0.04946%0.461CS..Hα-helixtrans-67.2-44.9173.9-170.10000111.5P128 W152 Q153 E154 L159 D160P128-S156 VanDerWaalsContact CD-OG 3.25Å; P128-S156 WeakPolarHBondContact CD-OG 3.38Å; W152-S156 VanDerWaalsContact O-CB 3.26Å; W152-S156 WeakPolarHBondContact O-CB 3.25Å; W152-S156 PolarHBondContact O-N 3.15Å; Q153-S156 PolarHBondContact O-N 3.29Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.31Å; S156-L159 PolarHBondContact O-N 2.91Å; S156-D160 PolarHBondContact O-N 3.35Å
157E73.3Confident67Low102 Ų10293.5 Ų93.548%0.47748%0.482SS..Hα-helixtrans-66.5-38.6178.8-72.6178.9-159.600112.3Q153 E154 L159 D160 R161Q153-E157 PolarHBondContact NE2-OE1 2.94Å; Q153-E157 WeakPolarHBondContact O-CG 3.42Å; Q153-E157 PolarHBondContact O-N 3.07Å; E154-E157 PolarHBondContact O-N 2.71Å; E157-L159 VanDerWaalsContact C-N 3.28Å; E157-L159 PolarHBondContact O-N 3Å; E157-D160 PolarHBondContact O-N 3.4Å; E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CG 3.4Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 VanDerWaalsContact O-N 3.07Å
158L58.3Low64.9Low97 Ų9796.5 Ų96.551%0.50849%0.491SS..Hα-helixtrans-65.1-33.1174.9-73.1174000111.9E154 R161 S162E154-L158 HydrophobicContact CG-CD1 4.01Å; E154-L158 HydrophobicContact CG-CG 4.37Å; E154-L158 WeakPolarHBondContact O-CB 3.43Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.3Å; E154-L158 PolarHBondContact O-N 3.41Å; L158-R161 PolarHBondContact O-N 2.96Å; L158-S162 VanDerWaalsContact O-CB 3.3Å; L158-S162 WeakPolarHBondContact O-CB 3.48Å; L158-S162 PolarHBondContact O-N 2.88Å; L158-S162 PolarHBondContact O-OG 3Å
159L52.8Low62.3Low88 Ų88103.9 Ų103.946%0.46153%0.53SS..Hα-helixtrans-82.9-27.6179.9-68.9162.7000112.9K127 L133 A155 S156 E157 R161K127-L159 HydrophobicContact CD-CB 4.3Å; K127-L159 HydrophobicContact CD-CD1 4.43Å; L133-L159 HydrophobicContact CD1-CD1 4.04Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 WeakPolarHBondContact O-CD1 3.18Å; A155-L159 WeakPolarHBondContact O-CG 3.16Å; A155-L159 PolarHBondContact O-N 3.46Å; S156-L159 PolarHBondContact O-N 2.91Å; E157-L159 VanDerWaalsContact C-N 3.28Å; E157-L159 PolarHBondContact O-N 3Å; L159-R161 VanDerWaalsContact C-N 3.27Å
160D53.2Low60.6Low118 Ų118110.3 Ų110.363%0.63157%0.566SS**Hα-helixtrans-71.3-23.9166.4-89.7-13.7000112.3S156 E157S156-D160 PolarHBondContact O-N 3.35Å; E157-D160 PolarHBondContact O-N 3.4Å
161R47.4Very low58.6Low215 Ų215115.1 Ų115.181%0.81158%0.578SS**SBendtrans-94.7-7.7177.2-72-172.7170-163.6-1114.8E157 L158 L159E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CG 3.4Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 VanDerWaalsContact O-N 3.07Å; L158-R161 PolarHBondContact O-N 2.96Å; L159-R161 VanDerWaalsContact C-N 3.27Å
162S44.3Very low56.6Low63 Ų63117.1 Ų117.144%0.44160%0.595SS.*SBendtrans-91.5114.2-179-67.60000110.3L158L158-S162 VanDerWaalsContact O-CB 3.3Å; L158-S162 WeakPolarHBondContact O-CB 3.48Å; L158-S162 PolarHBondContact O-N 2.88Å; L158-S162 PolarHBondContact O-OG 3Å
163F44.2Very low54.5Low205 Ų205121.1 Ų121.190%0.89963%0.629SS**SBendtrans96.635.8167.4-61.5-85000119.2
164L37.6Very low52.9Low151 Ų151129.1 Ų129.179%0.79166%0.656SS**  trans-91.7120.1131.6-68.1174.7000106.7
165Q38.3Very low51.5Low167 Ų167133.8 Ų133.878%0.7867%0.669SS**  trans-47.7147.9157.9-93.6175.1-21.700107.3E167Q165-E167 PolarHBondContact O-N 3.14Å
166P39.1Very low50.3Low115 Ų115134.6 Ų134.675%0.74767%0.673SS**  trans-60.295.1165.818.2-15.4000105.9D168P166-D168 VanDerWaalsContact C-N 3.34Å; P166-D168 PolarHBondContact O-N 3.3Å
167E41.7Very low49.2Very low161 Ų161142 Ų14275%0.75271%0.71SS**  trans-63109.2164.2-75.5-175.5144.700103.9Q165 L169Q165-E167 PolarHBondContact O-N 3.14Å; E167-L169 PolarHBondContact O-N 2.92Å
168D44.1Very low48.7Very low144 Ų144139.7 Ų139.777%0.7770%0.703SS**  trans-42.4101.6173-64.8-59.8000108.8P166 D170P166-D168 VanDerWaalsContact C-N 3.34Å; P166-D168 PolarHBondContact O-N 3.3Å; D168-D170 PolarHBondContact O-N 3.31Å
169L37.7Very low48.8Very low155 Ų155139 Ų13981%0.81270%0.697SS**  trans-7459.8166.4-71.7172.7000108.6E167 E171E167-L169 PolarHBondContact O-N 2.92Å; L169-E171 PolarHBondContact O-N 3.38Å; L169-E171 VanDerWaalsContact O-N 3.07Å
170D53.3Low49.2Very low155 Ų155139.2 Ų139.283%0.82970%0.704SS**  trans-72.770.6146.3-88.3-40.8000107.6D168D168-D170 PolarHBondContact O-N 3.31Å
171E44.9Very low49.5Very low159 Ų159139.4 Ų139.474%0.74370%0.704SS**  trans-103.1127.5154.3-85.6-158.7122.400108.9L169 A173L169-E171 PolarHBondContact O-N 3.38Å; L169-E171 VanDerWaalsContact O-N 3.07Å; E171-A173 PolarHBondContact O-N 3.01Å; E171-A173 VanDerWaalsContact O-N 3.15Å
172P48.5Very low50.2Low120 Ų120136.1 Ų136.178%0.77969%0.692SS**  trans-64.2122.9-17325.7-32.5000109.5R174P172-R174 PolarHBondContact O-N 3.46Å; P172-R174 VanDerWaalsContact O-N 3.13Å
173A47.2Very low51Low89 Ų89142.3 Ų142.374%0.73671%0.705SS**  trans-37.5121.2176.200000111.1E171 R175E171-A173 PolarHBondContact O-N 3.01Å; E171-A173 VanDerWaalsContact O-N 3.15Å; A173-R175 PolarHBondContact O-N 3.46Å
174R52.3Low51.6Low246 Ų246142.9 Ų142.993%0.92870%0.702SS**  trans-49.2104.2173-67-178.7175.4-163.9-1.5108P172 S176P172-R174 PolarHBondContact O-N 3.46Å; P172-R174 VanDerWaalsContact O-N 3.13Å; R174-S176 PolarHBondContact O-N 2.76Å
175R57.4Low52.4Low219 Ų219144 Ų14483%0.82670%0.7SS**  trans-58.1127.9177.6-68.7-177.2178.1179.30.6107.6A173 I177A173-R175 PolarHBondContact O-N 3.46Å; R175-I177 PolarHBondContact O-N 3.4Å
176S58.9Low53.2Low51 Ų51144 Ų14436%0.35769%0.694SS.*  trans-54.4138.9-177.5-175.80000110.3R174 T178 E179R174-S176 PolarHBondContact O-N 2.76Å; S176-T178 PolarHBondContact O-N 2.99Å; S176-T178 PolarHBondContact OG-N 3.33Å; S176-T178 PolarHBondContact OG-OG1 3.42Å; S176-E179 WeakPolarHBondContact O-CB 3.43Å; S176-E179 PolarHBondContact O-N 3.28Å
177I59.5Low53.5Low161 Ų161147.6 Ų147.683%0.82669%0.693SS**THydrogen-bonded Turntrans-59.2-20.8174.288.1172000111.5R175 P180R175-I177 PolarHBondContact O-N 3.4Å; I177-P180 VanDerWaalsContact O-CD 3.3Å; I177-P180 WeakPolarHBondContact O-CD 3.32Å
178T62.6Low54.2Low54 Ų54145.9 Ų145.933%0.33169%0.693SS.*THydrogen-bonded Turntrans-86.4-4.2178.768.40000113.5S176 P180 L181 R182S176-T178 PolarHBondContact O-N 2.99Å; S176-T178 PolarHBondContact OG-N 3.33Å; S176-T178 PolarHBondContact OG-OG1 3.42Å; T178-P180 VanDerWaalsContact C-CD 3.42Å; T178-L181 WeakPolarHBondContact O-CB 3.49Å; T178-L181 PolarHBondContact O-N 2.85Å; T178-R182 PolarHBondContact O-N 3.03Å
179E59.8Low54.4Low83 Ų83144.9 Ų144.939%0.38869%0.687SS.*Hα-helixtrans-55.7-40.9179.2-150.375.3176.200113.6S176 L181 R182 R183S176-E179 WeakPolarHBondContact O-CB 3.43Å; S176-E179 PolarHBondContact O-N 3.28Å; E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.14Å; E179-R182 PolarHBondContact O-N 3.03Å; E179-R183 PolarHBondContact O-N 3.11Å
180P61.4Low55Low92 Ų92148.8 Ų148.860%0.59769%0.691SS**Hα-helixtrans-64.9-33.2175.5-19.132.5000112.6I177 T178 R184I177-P180 VanDerWaalsContact O-CD 3.3Å; I177-P180 WeakPolarHBondContact O-CD 3.32Å; T178-P180 VanDerWaalsContact C-CD 3.42Å; P180-R184 PolarHBondContact O-N 3.21Å
181L60.3Low54.5Low123 Ų123148.4 Ų148.464%0.64469%0.69SS**Hα-helixtrans-78.5-39.3179.3-65.1171.4000111.4T178 E179 R184 K185T178-L181 WeakPolarHBondContact O-CB 3.49Å; T178-L181 PolarHBondContact O-N 2.85Å; E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.14Å; L181-R184 PolarHBondContact O-N 3.46Å; L181-R184 VanDerWaalsContact O-N 3.14Å; L181-K185 PolarHBondContact O-N 3.12Å; L181-K185 VanDerWaalsContact O-N 3.12Å
182R60.2Low54.3Low145 Ų145145.2 Ų145.255%0.54769%0.69SS.*Hα-helixtrans-62.3-41.1173.3-90.2-174174136.3-1.9111.9T178 E179 R184 K185 Y186T178-R182 PolarHBondContact O-N 3.03Å; E179-R182 PolarHBondContact O-N 3.03Å; R182-R184 PolarHBondContact O-N 3.19Å; R182-K185 PolarHBondContact O-N 2.8Å; R182-Y186 WeakPolarHBondContact O-CD2 3.4Å; R182-Y186 PolarHBondContact O-N 3.29Å
183R61.4Low53.8Low194 Ų194142.9 Ų142.973%0.73269%0.688SS**Hα-helixtrans-59.8-31.2173.4-85.1-173.8170.4-158.8-3113.4E179 R187E179-R183 PolarHBondContact O-N 3.11Å; R183-R187 PolarHBondContact O-N 3.04Å
184R57.8Low53.2Low217 Ų217150.2 Ų150.282%0.81970%0.697SS**Hα-helixtrans-77.7-33.3177.3-123.1-178.6-175.7-165.11.4112.9P180 L181 R182P180-R184 PolarHBondContact O-N 3.21Å; L181-R184 PolarHBondContact O-N 3.46Å; L181-R184 VanDerWaalsContact O-N 3.14Å; R182-R184 PolarHBondContact O-N 3.19Å
185K54Low52.3Low173 Ų173143.2 Ų143.275%0.75269%0.685SS**Hα-helixtrans-81.5-30.7-178.9-150.7-170.8-177.5-173.70113.5L181 R182L181-K185 PolarHBondContact O-N 3.12Å; L181-K185 VanDerWaalsContact O-N 3.12Å; R182-K185 PolarHBondContact O-N 2.8Å
186Y54.8Low51.1Low168 Ų168144.4 Ų144.466%0.65969%0.69SS**SBendtrans-110.929-179.2-62.2-81.1000112.9R182 V188R182-Y186 WeakPolarHBondContact O-CD2 3.4Å; R182-Y186 PolarHBondContact O-N 3.29Å; Y186-V188 VanDerWaalsContact C-N 3.25Å; Y186-V188 PolarHBondContact O-N 3.04Å
187R46.7Very low49.7Very low191 Ų191145.7 Ų145.772%0.72171%0.71SS**  trans-69.990.3171.4-166.6174.1137.2163-2.2107.8R183 D189R183-R187 PolarHBondContact O-N 3.04Å; R187-D189 IonicContact NE-OD1 3.9Å; R187-D189 PolarHBondContact O-N 3.23Å
188V55Low48.4Very low124 Ų124149.5 Ų149.575%0.75271%0.714SS**  trans-66.8112.6166.4177.60000105.9Y186 R190Y186-V188 VanDerWaalsContact C-N 3.25Å; Y186-V188 PolarHBondContact O-N 3.04Å; V188-R190 PolarHBondContact O-N 2.85Å
189D47.8Very low46.9Very low123 Ų123151.6 Ų151.666%0.65873%0.731SS**  trans-59.7112.2171.7-74.3-42.3000108.5R187R187-D189 IonicContact NE-OD1 3.9Å; R187-D189 PolarHBondContact O-N 3.23Å
190R51.8Low45.6Very low237 Ų237159 Ų15989%0.89476%0.756SS**  trans-96.589.1162.5-90.4-171.9167.7179.1-2.2107.2V188V188-R190 PolarHBondContact O-N 2.85Å
191D42.3Very low44.1Very low148 Ų148160 Ų16079%0.79177%0.765SS**  trans-110.7109.9151.9-91-39.2000106.7
192A40.1Very low42.7Very low91 Ų91157.5 Ų157.575%0.75277%0.769SS**  70.589.382.400000112.4
193G37.5Very low41.4Very low71 Ų71159.2 Ų159.273%0.73278%0.783SS**  67.5123126.200000120.6
194R35.5Very low40.1Very low244 Ų244156.1 Ų156.192%0.92178%0.781SS**  trans67.7119.6146.9-76.9178.2165.3-174-3.2115.4
195S32.5Very low39Very low98 Ų98150.8 Ų150.869%0.68578%0.777SS**  166154.762460000110
196R33.7Very low37.9Very low245 Ų245146.4 Ų146.493%0.92578%0.781SS**  trans53.6108.4147.6-66.5168.2171.8165-3.7116
197G29.3Very low37Very low77 Ų77146 Ų14679%0.79479%0.79SS**  110.3144.252.900000109.6
198R31.7Very low37Very low241 Ų241141.8 Ų141.891%0.90979%0.787SS**  trans101.783.1160.7-140.2167-168.8-155.12.9118.6
199S31.8Very low36.1Very low98 Ų98145.2 Ų145.269%0.68580%0.795SS**  43.3127.1119.260.70000122.6
200R31.8Very low35.4Very low239 Ų239142.6 Ų142.690%0.90280%0.798SS**  trans149.4143.4135.4-89.9174.2165.4-179.9-5.5108.7
201S30.5Very low34.5Very low113 Ų113139.1 Ų139.179%0.7980%0.797SS**  cis171.9143.3-11.444.60000106.1
202G31Very low34.2Very low71 Ų71136.3 Ų136.373%0.73279%0.794SS**  trans124.5103.4163.500000113.7
203H32.5Very low34Very low181 Ų181135.4 Ų135.484%0.83879%0.794SS**  61.9125.696.5-107.962.6000112.3
204D34.2Very low34Very low129 Ų129137.2 Ų137.269%0.6980%0.801SS**  -173.811854.6-168.735.8000107.7
205S34Very low34.1Very low104 Ų104129.4 Ų129.473%0.72780%0.797SS**  60.7123.1105.7-39.20000117.3
206G31.8Very low34.5Very low81 Ų81128.9 Ų128.984%0.83580%0.798SS**  trans145.872.6153.700000118.1
207D34.9Very low34.7Very low159 Ų159125.4 Ų125.485%0.8579%0.793SS**  trans-84.3165.6142.2-99.2-41.1000107.6
208P47.5Very low35.3Very low103 Ų103128 Ų12867%0.66979%0.787SS**  cis-149.416132.838.9-16.1000118
209Q35.4Very low35.9Very low196 Ų196131.4 Ų131.492%0.91680%0.801SS**  57.9137124-152.8154.333.700123.7
210G33.4Very low36.1Very low69 Ų69133.1 Ų133.171%0.71181%0.807SS**  trans13892.7157.300000112.6
211D33.2Very low36.3Very low164 Ų164127.5 Ų127.588%0.87780%0.802SS**  95.7137.867.3-164.829.6000113.9
212A36.1Very low36.6Very low89 Ų89128.3 Ų128.374%0.73680%0.802SS**  trans70.5135.1152.500000123.3
213G36.2Very low37Very low72 Ų72131.7 Ų131.774%0.74281%0.806SS**  trans125.284.8141.800000114.3
214A38Very low37.2Very low108 Ų108128.6 Ų128.689%0.89380%0.804SS**  87.8132.669.700000114.9
215G37.2Very low37.5Very low80 Ų80128.6 Ų128.683%0.82581%0.812SS**  trans83146.1154.500000115.5
216A39.7Very low37.7Very low87 Ų87130.4 Ų130.472%0.71982%0.818SS**  cis-172.4129.3-1.400000103.3
217E38.6Very low38.2Very low172 Ų172134.2 Ų134.280%0.80482%0.817SS**  55.9145.5100.9-79.8-162101.300117.8
218L42.1Very low38.4Very low131 Ų131132.1 Ų132.169%0.68681%0.814SS**  trans82.3124.8161.8-33.8176.7000114.7
219W43.8Very low37.6Very low314 Ų314134.7 Ų134.7100%1.18983%0.827SS**  cis-147.2021.8-7569.2000110.1

Retrieved 219 of 219 residues in 78.7 ms (Link to these results)

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