A0A077ZPJ7_TRITR Loading...

Leu Phe trans domain containing protein

AlphaFold DB (P0A8P1), UniProt , Accession A0A077ZPJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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
1M62Low88.5Confident157 Ų157112.3 Ų112.377%0.77353%0.53SS*.  0146.90-123.6178.278.100108.3G18 L20M1-G18 WeakPolarHBondContact CE-O 3.23Å; M1-G18 VanDerWaalsContact SD-O 3.34Å; M1-L20 HydrophobicContact CB-CD2 3.77Å
2R78.5Confident89.1Confident232 Ų232107.8 Ų107.888%0.87553%0.526SS*.PPolyproline II helixtrans-83.6137173.2-69.8-175.3-171.5175.73.3109.2
3L88.2Confident89.7Confident58 Ų58100.5 Ų100.530%0.30449%0.49SS..PPolyproline II helixtrans-68.2132.5176.9-168.858.2000109.8L20 L26 L27 L29L3-L20 HydrophobicContact CD1-CD1 4.46Å; L3-L26 HydrophobicContact CD1-CD1 4.26Å; L3-L26 HydrophobicContact CD1-CD2 4.25Å; L3-L26 HydrophobicContact CD1-CG 3.74Å; L3-L26 HydrophobicContact CD2-CD1 4.4Å; L3-L26 HydrophobicContact CD2-CD2 3.74Å; L3-L26 HydrophobicContact CD2-CG 4.06Å; L3-L27 VanDerWaalsContact CD1-C 3.45Å; L3-L27 WeakPolarHBondContact CD1-O 3.48Å; L3-L29 HydrophobicContact CB-CD2 4.49Å; L3-L29 HydrophobicContact CD2-CB 4.18Å; L3-L29 HydrophobicContact CD2-CD2 3.56Å; L3-L29 HydrophobicContact CD2-CG 4.38Å; L3-L29 HydrophobicContact CG-CD2 3.92Å
4V91.9Very high90.1Very high58 Ų5895.6 Ų95.635%0.35247%0.47SS..EExtended strand (participates in β ladder)trans-83.2128.1-178.1178.70000109.6L6 P14 A28 L29V4-L6 HydrophobicContact CG1-CD2 4.36Å; V4-P14 HydrophobicContact CB-CG 4.17Å; V4-P14 HydrophobicContact CG1-CG 4.5Å; V4-P14 HydrophobicContact CG2-CB 4.24Å; V4-P14 HydrophobicContact CG2-CG 4.13Å; V4-A28 HydrophobicContact CB-CB 4.41Å; V4-A28 CarbonylContact O-C 3.49Å; V4-A28 VanDerWaalsContact O-CA 3.27Å; V4-A28 WeakPolarHBondContact O-CA 3.18Å; V4-A28 WeakPolarHBondContact O-CB 3.22Å; V4-L29 PolarHBondContact O-N 2.83Å
5Q95.5Very high90.5Very high153 Ų15393.3 Ų93.372%0.71547%0.467SS*.EExtended strand (participates in β ladder)trans-86.7118.7168.4-176.3171.1-1.700109.7L29Q5-L29 CarbonylContact C-O 3.56Å; Q5-L29 WeakPolarHBondContact CA-O 3.26Å; Q5-L29 HydrophobicContact CB-CD1 4.22Å; Q5-L29 HydrophobicContact CB-CG 4.4Å; Q5-L29 HydrophobicContact CG-CD1 3.9Å
6L96.5Very high90.9Very high13 Ų1387.9 Ų87.97%0.06844%0.44CS..EExtended strand (participates in β ladder)trans-74.1137.4-179.6-58.3-177.8000111.1V4 F13 A28 L29 G31 W58V4-L6 HydrophobicContact CG1-CD2 4.36Å; L6-F13 HydrophobicContact CD1-CD1 3.8Å; L6-F13 HydrophobicContact CD1-CE1 3.36Å; L6-F13 HydrophobicContact CD1-CZ 3.9Å; L6-F13 HydrophobicContact CD2-CD1 4.35Å; L6-A28 HydrophobicContact CD1-CB 4.1Å; L6-A28 HydrophobicContact CD2-CB 3.74Å; L6-A28 HydrophobicContact CG-CB 3.79Å; L6-L29 PolarHBondContact N-O 3.38Å; L6-G31 PolarHBondContact O-N 2.81Å; L6-W58 HydrophobicContact CD1-CG 4.21Å
7S92.3Very high91.1Very high60 Ų6089.9 Ų89.942%0.4245%0.448SS..PPolyproline II helixtrans-71.4141.2172.3175.60000110.9H9 R37S7-H9 PolarHBondContact O-N 2.99Å; S7-H9 PolarHBondContact OG-N 3.11Å; S7-R37 PolarHBondContact O-NH2 2.76Å
8R87.3Confident91.2Very high199 Ų19985.9 Ų85.975%0.75143%0.433SS*.THydrogen-bonded Turntrans-69.5-15.7169.7-67.4-172.7176.6-163.20.2113.3
9H89.8Confident91.5Very high185 Ų18581.9 Ų81.986%0.85642%0.415SS*.THydrogen-bonded Turntrans-1012.2-177.6-53.4-64.3000113.3S7S7-H9 PolarHBondContact O-N 2.99Å; S7-H9 PolarHBondContact OG-N 3.11Å
10S94.9Very high91.8Very high54 Ų5479.4 Ų79.438%0.37840%0.403SS..  trans-139.9133.4178.4176.30000110.6A12 R37S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 WeakPolarHBondContact OG-CB 3.49Å; S10-A12 PolarHBondContact OG-N 2.92Å; S10-R37 PolarHBondContact O-NH1 3.27Å; S10-R37 PolarHBondContact O-NH2 3.26Å
11I96.2Very high91.9Very high66 Ų6686.8 Ų86.834%0.33843%0.425SS..  trans-83.9-0.817564.8172.2000113F13 A36 R37 M40I11-F13 VanDerWaalsContact O-CD2 3.31Å; I11-F13 WeakPolarHBondContact O-CD2 3.27Å; I11-A36 HydrophobicContact CG2-CB 4.38Å; I11-R37 HydrophobicContact CB-CB 4.43Å; I11-R37 HydrophobicContact CG2-CB 4.17Å; I11-M40 HydrophobicContact CD1-CB 4.32Å; I11-M40 HydrophobicContact CD1-CE 3.85Å; I11-M40 HydrophobicContact CG1-CE 4.39Å; I11-M40 WeakPolarHBondContact O-CG 3.43Å
12A95.6Very high93.3Very high58 Ų5887.3 Ų87.348%0.47943%0.426SS..  trans-68.7142.4-176.300000112.1S10S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 WeakPolarHBondContact OG-CB 3.49Å; S10-A12 PolarHBondContact OG-N 2.92Å
13F97.2Very high94.1Very high13 Ų1379 Ų796%0.05740%0.402CS..  trans-110153172.7-74.8-93.8000110.9L6 I11 R37 M40 A41 R44 I46 W58L6-F13 HydrophobicContact CD1-CD1 3.8Å; L6-F13 HydrophobicContact CD1-CE1 3.36Å; L6-F13 HydrophobicContact CD1-CZ 3.9Å; L6-F13 HydrophobicContact CD2-CD1 4.35Å; I11-F13 VanDerWaalsContact O-CD2 3.31Å; I11-F13 WeakPolarHBondContact O-CD2 3.27Å; F13-R37 HydrophobicContact CE2-CG 3.6Å; F13-R37 HydrophobicContact CZ-CG 3.7Å; F13-M40 HydrophobicContact CD2-CG 4.07Å; F13-M40 HydrophobicContact CE2-CG 4.4Å; F13-A41 HydrophobicContact CE1-CB 4.43Å; F13-A41 HydrophobicContact CE2-CB 3.75Å; F13-A41 HydrophobicContact CZ-CB 3.69Å; F13-R44 PolarHBondContact O-NH1 3.11Å; F13-I46 HydrophobicContact CB-CD1 3.58Å; F13-I46 HydrophobicContact CD1-CD1 3.8Å; F13-I46 HydrophobicContact CD1-CG2 4.16Å; F13-I46 HydrophobicContact CD2-CD1 4.43Å; F13-I46 HydrophobicContact CE1-CG2 4.04Å; F13-I46 HydrophobicContact CG-CD1 3.69Å; F13-W58 HydrophobicContact CE1-CB 3.95Å; F13-W58 AromaticContact CE1-CD2 3.43Å; F13-W58 HydrophobicContact CE1-CD2 3.43Å; F13-W58 VanDerWaalsContact CE1-CD2 3.43Å; F13-W58 AromaticContact CE1-CE2 3.91Å; F13-W58 AromaticContact CE1-CE3 3.71Å; F13-W58 HydrophobicContact CE1-CE3 3.71Å; F13-W58 AromaticContact CE1-CG 3.55Å; F13-W58 HydrophobicContact CE1-CG 3.55Å; F13-W58 HydrophobicContact CE1-CZ3 4.36Å; F13-W58 AromaticContact CZ-CD2 3.68Å; F13-W58 HydrophobicContact CZ-CD2 3.68Å; F13-W58 AromaticContact CZ-CE2 3.89Å; F13-W58 AromaticContact CZ-CE3 3.65Å; F13-W58 HydrophobicContact CZ-CE3 3.65Å; F13-W58 HydrophobicContact CZ-CG 4.29Å; F13-W58 HydrophobicContact CZ-CH2 4.06Å; F13-W58 HydrophobicContact CZ-CZ2 4.09Å; F13-W58 AromaticContact CZ-CZ3 3.83Å; F13-W58 HydrophobicContact CZ-CZ3 3.83Å
14P95.9Very high94.4Very high33 Ų3379.4 Ų79.421%0.21440%0.404CS..  trans-61.9166161.628.7-33.9000110.8V4 L27 A28 R44V4-P14 HydrophobicContact CB-CG 4.17Å; V4-P14 HydrophobicContact CG1-CG 4.5Å; V4-P14 HydrophobicContact CG2-CB 4.24Å; V4-P14 HydrophobicContact CG2-CG 4.13Å; P14-L27 HydrophobicContact CB-CD1 4.36Å; P14-L27 HydrophobicContact CG-CD1 3.8Å; P14-L27 HydrophobicContact CG-CD2 4.34Å; P14-L27 HydrophobicContact CG-CG 3.82Å; P14-A28 HydrophobicContact CG-CB 4.3Å; P14-R44 PolarHBondContact O-NH2 3.35Å
15S96.1Very high94.7Very high61 Ų6176.6 Ų76.643%0.42739%0.388SS..  trans-64134.3176.9-142.80000111.1E17 G18 L27S15-E17 VanDerWaalsContact CB-OE2 3.28Å; S15-E17 WeakPolarHBondContact CB-OE2 3.42Å; S15-E17 PolarHBondContact O-N 2.94Å; S15-E17 VanDerWaalsContact O-N 3.12Å; S15-E17 PolarHBondContact OG-OE2 3.1Å; S15-G18 PolarHBondContact O-N 3.39Å; S15-L27 VanDerWaalsContact O-CD1 3.32Å; S15-L27 WeakPolarHBondContact O-CD1 3.23Å
16P97.1Very high94.8Very high6 Ų670.1 Ų70.14%0.03936%0.358CS..G310 helixtrans-54.6-27.4175.9-27.635.4000114.3G18 A19 R44 I46 R204 L208P16-G18 PolarHBondContact O-N 3.26Å; P16-A19 WeakPolarHBondContact O-CB 3.34Å; P16-A19 PolarHBondContact O-N 3.3Å; P16-R44 WeakPolarHBondContact CG-O 3.42Å; P16-I46 HydrophobicContact CG-CD1 4.31Å; P16-I46 HydrophobicContact CG-CG1 4.28Å; P16-R204 PolarHBondContact O-NH1 2.87Å; P16-L208 HydrophobicContact CB-CD1 3.87Å; P16-L208 HydrophobicContact CB-CD2 4.46Å; P16-L208 HydrophobicContact CG-CD1 4.22Å; P16-L208 HydrophobicContact CG-CD2 4.27Å
17E93.9Very high94.8Very high122 Ų12269.7 Ų69.757%0.5736%0.356SS*.G310 helixtrans-61.2-22.6174.5-64.973.9-164.800112.6S15 A19S15-E17 VanDerWaalsContact CB-OE2 3.28Å; S15-E17 WeakPolarHBondContact CB-OE2 3.42Å; S15-E17 PolarHBondContact O-N 2.94Å; S15-E17 VanDerWaalsContact O-N 3.12Å; S15-E17 PolarHBondContact OG-OE2 3.1Å; E17-A19 VanDerWaalsContact C-N 3.33Å
18G93.7Very high95.1Very high18 Ų1866.9 Ų66.919%0.18634%0.336CS..G310 helixtrans-82.7-2.2174.400000114.4M1 S15 P16M1-G18 WeakPolarHBondContact CE-O 3.23Å; M1-G18 VanDerWaalsContact SD-O 3.34Å; S15-G18 PolarHBondContact O-N 3.39Å; P16-G18 PolarHBondContact O-N 3.26Å
19A96.7Very high95.6Very high10 Ų1059.4 Ų59.48%0.08331%0.311CS..  trans-63143179.900000111.2P16 E17 G25 L27P16-A19 WeakPolarHBondContact O-CB 3.34Å; P16-A19 PolarHBondContact O-N 3.3Å; E17-A19 VanDerWaalsContact C-N 3.33Å; A19-G25 WeakPolarHBondContact CB-O 3.36Å; A19-L27 HydrophobicContact CB-CB 3.97Å; A19-L27 HydrophobicContact CB-CD1 3.93Å
20L96.4Very high95.9Very high32 Ų3251.3 Ų51.317%0.16828%0.277CS..  trans-61.2150.3-176.2-63178.1000111.5M1 L3 G25 L26M1-L20 HydrophobicContact CB-CD2 3.77Å; L3-L20 HydrophobicContact CD1-CD1 4.46Å; L20-G25 PolarHBondContact O-N 2.57Å; L20-L26 WeakPolarHBondContact CB-O 3.34Å; L20-L26 HydrophobicContact CD1-CB 4.34Å; L20-L26 HydrophobicContact CD1-CD2 4.32Å; L20-L26 HydrophobicContact CD1-CG 4.42Å; L20-L26 WeakPolarHBondContact CG-O 3.46Å; L20-L26 PolarHBondContact N-O 3.3Å
21R93.8Very high95.9Very high234 Ų23449.3 Ų49.388%0.88327%0.265SS*.THydrogen-bonded Turntrans-77.2-36168.8-67.8-177.1179.1176.3-1.7111.7N24R21-N24 VanDerWaalsContact O-CA 3.23Å; R21-N24 WeakPolarHBondContact O-CA 3.49Å; R21-N24 PolarHBondContact O-N 3.3Å
22E92.4Very high95.9Very high169 Ų16948.2 Ų48.279%0.7926%0.26SS*.THydrogen-bonded Turntrans-137.9119.4179.2-169.887.7-11400108.2
23P94.2Very high95.9Very high56 Ų5646.6 Ų46.636%0.36424%0.243SC..THydrogen-bonded Turncis-64.4144.2-11.929.2-34.1000111.3G25 L26 W59P23-G25 PolarHBondContact O-N 2.92Å; P23-G25 VanDerWaalsContact O-N 3.11Å; P23-L26 HydrophobicContact CG-CB 3.83Å; P23-L26 HydrophobicContact CG-CD2 3.69Å; P23-L26 HydrophobicContact CG-CG 4.42Å; P23-L26 PolarHBondContact O-N 3.24Å; P23-W59 HydrophobicContact CB-CH2 3.92Å; P23-W59 HydrophobicContact CB-CZ3 4.01Å; P23-W59 HydrophobicContact CG-CH2 3.97Å; P23-W59 HydrophobicContact CG-CZ3 4.25Å
24N95.9Very high95.9Very high67 Ų6747.8 Ų47.836%0.35825%0.253SS..THydrogen-bonded Turntrans-59.9115.3-171.1-178.612000112.3R21 W59 D62R21-N24 VanDerWaalsContact O-CA 3.23Å; R21-N24 WeakPolarHBondContact O-CA 3.49Å; R21-N24 PolarHBondContact O-N 3.3Å; N24-W59 VanDerWaalsContact O-CE3 3.29Å; N24-W59 WeakPolarHBondContact O-CZ3 3.38Å; N24-D62 PolarHBondContact ND2-O 2.61Å; N24-D62 PolarHBondContact OD1-N 3.03Å; N24-D62 PolarHBondContact OD1-O 2.83Å
25G97.1Very high96Very high0 Ų047.4 Ų47.40%025%0.251CS..THydrogen-bonded Turntrans91.1-2.6171.800000115.3A19 L20 P23 L27 W59 S60A19-G25 WeakPolarHBondContact CB-O 3.36Å; L20-G25 PolarHBondContact O-N 2.57Å; P23-G25 PolarHBondContact O-N 2.92Å; P23-G25 VanDerWaalsContact O-N 3.11Å; G25-L27 PolarHBondContact O-N 2.81Å; G25-L27 VanDerWaalsContact O-N 3.17Å; G25-W59 CarbonylContact O-C 3.41Å; G25-W59 VanDerWaalsContact O-CA 3.25Å; G25-W59 WeakPolarHBondContact O-CA 3.18Å; G25-S60 VanDerWaalsContact CA-O 3.26Å; G25-S60 WeakPolarHBondContact CA-O 3.27Å; G25-S60 PolarHBondContact O-N 3.17Å
26L97.7Very high96.1Very high16 Ų1647.1 Ų47.18%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-65.1119.4177179.158.8000109.9L3 L20 P23 L57 W59L3-L26 HydrophobicContact CD1-CD1 4.26Å; L3-L26 HydrophobicContact CD1-CD2 4.25Å; L3-L26 HydrophobicContact CD1-CG 3.74Å; L3-L26 HydrophobicContact CD2-CD1 4.4Å; L3-L26 HydrophobicContact CD2-CD2 3.74Å; L3-L26 HydrophobicContact CD2-CG 4.06Å; L20-L26 WeakPolarHBondContact CB-O 3.34Å; L20-L26 HydrophobicContact CD1-CB 4.34Å; L20-L26 HydrophobicContact CD1-CD2 4.32Å; L20-L26 HydrophobicContact CD1-CG 4.42Å; L20-L26 WeakPolarHBondContact CG-O 3.46Å; L20-L26 PolarHBondContact N-O 3.3Å; P23-L26 HydrophobicContact CG-CB 3.83Å; P23-L26 HydrophobicContact CG-CD2 3.69Å; P23-L26 HydrophobicContact CG-CG 4.42Å; P23-L26 PolarHBondContact O-N 3.24Å; L26-L57 HydrophobicContact CD1-CB 3.95Å; L26-L57 HydrophobicContact CD1-CD1 4.42Å; L26-L57 HydrophobicContact CD1-CD2 4.25Å; L26-L57 HydrophobicContact CD1-CG 4.43Å; L26-W59 HydrophobicContact CB-CD2 4.32Å; L26-W59 HydrophobicContact CB-CE3 3.94Å; L26-W59 HydrophobicContact CB-CH2 3.98Å; L26-W59 HydrophobicContact CB-CZ2 4.35Å; L26-W59 HydrophobicContact CB-CZ3 3.76Å; L26-W59 HydrophobicContact CD1-CD2 4.28Å; L26-W59 HydrophobicContact CD1-CH2 4.48Å; L26-W59 HydrophobicContact CD1-CZ2 4.01Å
27L97.7Very high96.1Very high5 Ų546.9 Ų46.93%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-110.6-44.8-169.3177.865.4000112.8L3 P14 S15 A19 G25 I46 W58L3-L27 VanDerWaalsContact CD1-C 3.45Å; L3-L27 WeakPolarHBondContact CD1-O 3.48Å; P14-L27 HydrophobicContact CB-CD1 4.36Å; P14-L27 HydrophobicContact CG-CD1 3.8Å; P14-L27 HydrophobicContact CG-CD2 4.34Å; P14-L27 HydrophobicContact CG-CG 3.82Å; S15-L27 VanDerWaalsContact O-CD1 3.32Å; S15-L27 WeakPolarHBondContact O-CD1 3.23Å; A19-L27 HydrophobicContact CB-CB 3.97Å; A19-L27 HydrophobicContact CB-CD1 3.93Å; G25-L27 PolarHBondContact O-N 2.81Å; G25-L27 VanDerWaalsContact O-N 3.17Å; L27-I46 HydrophobicContact CD2-CD1 3.38Å; L27-I46 HydrophobicContact CD2-CG1 3.63Å; L27-I46 HydrophobicContact CD2-CG2 4.25Å; L27-W58 WeakPolarHBondContact CB-O 3.32Å; L27-W58 PolarHBondContact N-O 2.88Å
28A97.7Very high96.4Very high0 Ų041.1 Ų41.10%022%0.223CC..EExtended strand (participates in β ladder)trans-156.2164.7-176.300000111.7V4 L6 P14 W58V4-A28 HydrophobicContact CB-CB 4.41Å; V4-A28 CarbonylContact O-C 3.49Å; V4-A28 VanDerWaalsContact O-CA 3.27Å; V4-A28 WeakPolarHBondContact O-CA 3.18Å; V4-A28 WeakPolarHBondContact O-CB 3.22Å; L6-A28 HydrophobicContact CD1-CB 4.1Å; L6-A28 HydrophobicContact CD2-CB 3.74Å; L6-A28 HydrophobicContact CG-CB 3.79Å; P14-A28 HydrophobicContact CG-CB 4.3Å; A28-W58 HydrophobicContact CB-CB 4.41Å; A28-W58 PolarHBondContact N-O 3.24Å; A28-W58 PolarHBondContact O-N 2.9Å
29L96.8Very high96.6Very high43 Ų4341.5 Ų41.523%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-128.9155.317575.792.7000111.7L3 V4 Q5 L6 I56 L57L3-L29 HydrophobicContact CB-CD2 4.49Å; L3-L29 HydrophobicContact CD2-CB 4.18Å; L3-L29 HydrophobicContact CD2-CD2 3.56Å; L3-L29 HydrophobicContact CD2-CG 4.38Å; L3-L29 HydrophobicContact CG-CD2 3.92Å; V4-L29 PolarHBondContact O-N 2.83Å; Q5-L29 CarbonylContact C-O 3.56Å; Q5-L29 WeakPolarHBondContact CA-O 3.26Å; Q5-L29 HydrophobicContact CB-CD1 4.22Å; Q5-L29 HydrophobicContact CB-CG 4.4Å; Q5-L29 HydrophobicContact CG-CD1 3.9Å; L6-L29 PolarHBondContact N-O 3.38Å; L29-I56 CarbonylContact C-O 3.55Å; L29-I56 VanDerWaalsContact CA-O 3.28Å; L29-I56 WeakPolarHBondContact CA-O 3.37Å; L29-L57 HydrophobicContact CB-CD2 3.7Å
30G96.1Very high96.6Very high15 Ų1543.8 Ų43.816%0.15523%0.231CC..EExtended strand (participates in β ladder)trans82.9-149.8175.700000113.7I56 W58G30-I56 PolarHBondContact N-O 2.53Å; G30-W58 PolarHBondContact O-NE1 3Å
31G95.4Very high96.7Very high12 Ų1242.2 Ų42.212%0.12422%0.223CC..  trans76.4-139.1-167.200000112.1L6L6-G31 PolarHBondContact O-N 2.81Å
32D95.7Very high97Very high42 Ų4231.1 Ų31.123%0.22518%0.181CC..  trans-151.7172.5-175.255.268.2000109.9S34 R37 W58D32-S34 WeakPolarHBondContact OD1-CB 3.43Å; D32-S34 PolarHBondContact OD1-N 2.87Å; D32-S34 PolarHBondContact OD1-OG 2.89Å; D32-R37 WeakPolarHBondContact O-CD 3.39Å; D32-R37 IonicContact OD1-NE 3.23Å; D32-R37 PolarHBondContact OD1-NE 3.31Å; D32-R37 IonicContact OD2-CZ 3.55Å; D32-R37 IonicContact OD2-NE 3.3Å; D32-R37 PolarHBondContact OD2-NE 3.36Å; D32-R37 IonicContact OD2-NH2 2.91Å; D32-R37 PolarHBondContact OD2-NH2 3.2Å; D32-W58 WeakPolarHBondContact O-CZ2 3.48Å
33L96.7Very high97.2Very high24 Ų2425.8 Ų25.813%0.12616%0.156CC..  trans-103.935.2173.5-59177.8000111.6L38 P48 F50 I56 W58 V116 A119L33-L38 HydrophobicContact CB-CD1 4.45Å; L33-L38 HydrophobicContact CD2-CD2 4.2Å; L33-P48 HydrophobicContact CD2-CB 4.1Å; L33-P48 HydrophobicContact CD2-CG 4.46Å; L33-F50 HydrophobicContact CD1-CE1 4.47Å; L33-F50 HydrophobicContact CD1-CZ 4.15Å; L33-F50 HydrophobicContact CD2-CE1 4.43Å; L33-I56 HydrophobicContact CD2-CD1 3.97Å; L33-I56 HydrophobicContact CD2-CG1 4.38Å; L33-I56 HydrophobicContact CD2-CG2 3.99Å; L33-I56 HydrophobicContact CG-CD1 3.8Å; L33-I56 HydrophobicContact CG-CG1 4.45Å; L33-W58 HydrophobicContact CD2-CH2 4.11Å; L33-W58 HydrophobicContact CD2-CZ2 4.28Å; L33-V116 HydrophobicContact CD1-CG2 3.91Å; L33-A119 HydrophobicContact CB-CB 3.6Å; L33-A119 HydrophobicContact CD1-CB 4.29Å; L33-A119 WeakPolarHBondContact O-CB 3.35Å
34S97.2Very high97.4Very high39 Ų3926.6 Ų26.627%0.27315%0.151SC..  trans-63146.8176.163.70000110.8D32 A36 R37 L38D32-S34 WeakPolarHBondContact OD1-CB 3.43Å; D32-S34 PolarHBondContact OD1-N 2.87Å; D32-S34 PolarHBondContact OD1-OG 2.89Å; S34-A36 PolarHBondContact O-N 3.32Å; S34-R37 PolarHBondContact O-N 3.21Å; S34-R37 PolarHBondContact OG-N 3.26Å; S34-L38 PolarHBondContact O-N 3.05Å
35P98Very high97.5Very high25 Ų2523.4 Ų23.416%0.16213%0.134CC..Hα-helixtrans-51.8-43.1177.5-31.237.1000113.3R37 L38 L39 R122 L123 L126P35-R37 VanDerWaalsContact C-N 3.33Å; P35-R37 PolarHBondContact O-N 2.99Å; P35-L38 PolarHBondContact O-N 2.82Å; P35-L39 WeakPolarHBondContact O-CB 3.45Å; P35-L39 VanDerWaalsContact O-CG 3.24Å; P35-L39 WeakPolarHBondContact O-CG 3.49Å; P35-L39 PolarHBondContact O-N 3.02Å; P35-R122 HydrophobicContact CG-CB 3.98Å; P35-L123 HydrophobicContact CB-CD2 3.95Å; P35-L126 HydrophobicContact CB-CD1 3.54Å; P35-L126 HydrophobicContact CG-CD1 3.86Å
36A97.6Very high97.6Very high55 Ų5523.4 Ų23.446%0.45513%0.134SC..Hα-helixtrans-60.1-40.1178.500000112.8I11 S34 M40I11-A36 HydrophobicContact CG2-CB 4.38Å; S34-A36 PolarHBondContact O-N 3.32Å; A36-M40 WeakPolarHBondContact O-CB 3.29Å; A36-M40 PolarHBondContact O-N 3.12Å; A36-M40 VanDerWaalsContact O-N 3.1Å
37R98.2Very high97.6Very high1 Ų122.7 Ų22.70%0.00413%0.131CC..Hα-helixtrans-72-43.7177.1-170.5-175.2-58.7-89-1.1111.9S7 S10 I11 F13 D32 S34 P35 L39 M40 A41 W58S7-R37 PolarHBondContact O-NH2 2.76Å; S10-R37 PolarHBondContact O-NH1 3.27Å; S10-R37 PolarHBondContact O-NH2 3.26Å; I11-R37 HydrophobicContact CB-CB 4.43Å; I11-R37 HydrophobicContact CG2-CB 4.17Å; F13-R37 HydrophobicContact CE2-CG 3.6Å; F13-R37 HydrophobicContact CZ-CG 3.7Å; D32-R37 WeakPolarHBondContact O-CD 3.39Å; D32-R37 IonicContact OD1-NE 3.23Å; D32-R37 PolarHBondContact OD1-NE 3.31Å; D32-R37 IonicContact OD2-CZ 3.55Å; D32-R37 IonicContact OD2-NE 3.3Å; D32-R37 PolarHBondContact OD2-NE 3.36Å; D32-R37 IonicContact OD2-NH2 2.91Å; D32-R37 PolarHBondContact OD2-NH2 3.2Å; S34-R37 PolarHBondContact O-N 3.21Å; S34-R37 PolarHBondContact OG-N 3.26Å; P35-R37 VanDerWaalsContact C-N 3.33Å; P35-R37 PolarHBondContact O-N 2.99Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 2.88Å; R37-M40 WeakPolarHBondContact O-CB 3.4Å; R37-M40 PolarHBondContact O-N 2.82Å; R37-A41 WeakPolarHBondContact O-CB 3.46Å; R37-A41 PolarHBondContact O-N 3.31Å; R37-W58 VanDerWaalsContact CD-CZ2 3.47Å; R37-W58 HydrophobicContact CG-CH2 4.1Å; R37-W58 HydrophobicContact CG-CZ2 4.22Å
38L98.5Very high97.6Very high0 Ų022.4 Ų22.40%013%0.129CC..Hα-helixtrans-59.4-46.6177.9-72.5170.5000111L33 S34 P35 M40 A41 Y42 P48 W58 A119 Y120 L123L33-L38 HydrophobicContact CB-CD1 4.45Å; L33-L38 HydrophobicContact CD2-CD2 4.2Å; S34-L38 PolarHBondContact O-N 3.05Å; P35-L38 PolarHBondContact O-N 2.82Å; L38-M40 VanDerWaalsContact C-N 3.34Å; L38-M40 PolarHBondContact O-N 3.21Å; L38-A41 WeakPolarHBondContact O-CB 3.36Å; L38-A41 PolarHBondContact O-N 2.95Å; L38-A41 VanDerWaalsContact O-N 3.12Å; L38-Y42 HydrophobicContact CB-CE2 4.4Å; L38-Y42 WeakPolarHBondContact O-CD2 3.23Å; L38-Y42 PolarHBondContact O-N 3.34Å; L38-P48 HydrophobicContact CD2-CG 3.8Å; L38-W58 HydrophobicContact CD2-CH2 3.91Å; L38-W58 HydrophobicContact CD2-CZ3 4.01Å; L38-A119 HydrophobicContact CD1-CB 3.95Å; L38-Y120 HydrophobicContact CD1-CD2 4.4Å; L38-Y120 HydrophobicContact CD1-CE2 4.29Å; L38-Y120 HydrophobicContact CD2-CE2 4.43Å; L38-L123 HydrophobicContact CB-CD1 3.97Å; L38-L123 HydrophobicContact CB-CD2 4.41Å; L38-L123 HydrophobicContact CD1-CD1 3.69Å; L38-L123 HydrophobicContact CD1-CG 4.16Å; L38-L123 HydrophobicContact CG-CD1 4.43Å
39L98.1Very high97.6Very high27 Ų2727.7 Ų27.714%0.14115%0.149CC..Hα-helixtrans-60.5-43.7176.1-67.3172.6000111.9P35 R37 A41 Y42 Q43 L123 H128P35-L39 WeakPolarHBondContact O-CB 3.45Å; P35-L39 VanDerWaalsContact O-CG 3.24Å; P35-L39 WeakPolarHBondContact O-CG 3.49Å; P35-L39 PolarHBondContact O-N 3.02Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 2.88Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 2.77Å; L39-Y42 PolarHBondContact O-N 3.21Å; L39-Q43 VanDerWaalsContact O-CB 3.23Å; L39-Q43 WeakPolarHBondContact O-CB 3.49Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.23Å; L39-L123 HydrophobicContact CD1-CD2 4.45Å; L39-L123 HydrophobicContact CD2-CD2 4Å; L39-L123 HydrophobicContact CG-CD2 3.92Å; L39-H128 HydrophobicContact CD2-CB 3.85Å
40M97.9Very high97.5Very high57 Ų5726.6 Ų26.628%0.28114%0.143SC..Hα-helixtrans-60.6-40.5174.3-179.760.366.100112.1I11 F13 A36 R37 L38 R44I11-M40 HydrophobicContact CD1-CB 4.32Å; I11-M40 HydrophobicContact CD1-CE 3.85Å; I11-M40 HydrophobicContact CG1-CE 4.39Å; I11-M40 WeakPolarHBondContact O-CG 3.43Å; F13-M40 HydrophobicContact CD2-CG 4.07Å; F13-M40 HydrophobicContact CE2-CG 4.4Å; A36-M40 WeakPolarHBondContact O-CB 3.29Å; A36-M40 PolarHBondContact O-N 3.12Å; A36-M40 VanDerWaalsContact O-N 3.1Å; R37-M40 WeakPolarHBondContact O-CB 3.4Å; R37-M40 PolarHBondContact O-N 2.82Å; L38-M40 VanDerWaalsContact C-N 3.34Å; L38-M40 PolarHBondContact O-N 3.21Å; M40-R44 WeakPolarHBondContact O-CG 3.34Å; M40-R44 PolarHBondContact O-N 3.26Å; M40-R44 HydrophobicContact SD-CG 4.46Å
41A98.6Very high97.2Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-62.8-55.7177.800000110.6F13 R37 L38 L39 Q43 R44 G45 I46 W58F13-A41 HydrophobicContact CE1-CB 4.43Å; F13-A41 HydrophobicContact CE2-CB 3.75Å; F13-A41 HydrophobicContact CZ-CB 3.69Å; R37-A41 WeakPolarHBondContact O-CB 3.46Å; R37-A41 PolarHBondContact O-N 3.31Å; L38-A41 WeakPolarHBondContact O-CB 3.36Å; L38-A41 PolarHBondContact O-N 2.95Å; L38-A41 VanDerWaalsContact O-N 3.12Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 2.77Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 3.19Å; A41-R44 CarbonylContact O-C 3.55Å; A41-R44 WeakPolarHBondContact O-CA 3.27Å; A41-R44 PolarHBondContact O-N 3.48Å; A41-G45 PolarHBondContact O-N 3.06Å; A41-I46 CarbonylContact C-O 3.57Å; A41-I46 HydrophobicContact CB-CB 4Å; A41-I46 HydrophobicContact CB-CG2 4.17Å; A41-I46 WeakPolarHBondContact CB-O 3.41Å; A41-I46 WeakPolarHBondContact O-CA 3.49Å; A41-I46 WeakPolarHBondContact O-CB 3.48Å; A41-I46 PolarHBondContact O-N 3.17Å; A41-W58 HydrophobicContact CB-CE3 3.95Å; A41-W58 HydrophobicContact CB-CZ3 3.63Å
42Y98.5Very high96.9Very high1 Ų132.7 Ų32.70%0.00418%0.179CC..Hα-helixtrans-60.5-38-179.6-73.4-64.7000112.5L38 L39 R44 G45 I46 F47 Y120 V147 Q149 C154 E156 L211L38-Y42 HydrophobicContact CB-CE2 4.4Å; L38-Y42 WeakPolarHBondContact O-CD2 3.23Å; L38-Y42 PolarHBondContact O-N 3.34Å; L39-Y42 PolarHBondContact O-N 3.21Å; Y42-R44 PolarHBondContact O-N 3.02Å; Y42-R44 VanDerWaalsContact O-N 3.09Å; Y42-G45 PolarHBondContact O-N 2.9Å; Y42-I46 PolarHBondContact N-O 3.35Å; Y42-F47 HydrophobicContact CE1-CB 4.11Å; Y42-Y120 VanDerWaalsContact OH-CE1 3.27Å; Y42-Y120 WeakPolarHBondContact OH-CE1 3.33Å; Y42-Y120 VanDerWaalsContact OH-CZ 3.31Å; Y42-Y120 PolarHBondContact OH-OH 2.91Å; Y42-V147 HydrophobicContact CD2-CB 4.19Å; Y42-V147 HydrophobicContact CD2-CG1 3.88Å; Y42-V147 HydrophobicContact CD2-CG2 4.22Å; Y42-V147 HydrophobicContact CE2-CB 4.04Å; Y42-V147 HydrophobicContact CE2-CG1 4.13Å; Y42-V147 HydrophobicContact CE2-CG2 3.61Å; Y42-V147 HydrophobicContact CG-CG1 4.34Å; Y42-Q149 VanDerWaalsContact C-NE2 3.28Å; Y42-C154 HydrophobicContact CD1-CB 3.99Å; Y42-C154 HydrophobicContact CE1-CB 3.95Å; Y42-E156 WeakPolarHBondContact CE1-OE1 3.18Å; Y42-E156 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E156 PolarHBondContact OH-OE1 2.99Å; Y42-E156 PolarHBondContact OH-OE2 3.01Å; Y42-L211 WeakPolarHBondContact O-CD2 3.44Å
43Q97.8Very high96.5Very high57 Ų5734.8 Ų34.827%0.26621%0.211SC..THydrogen-bonded Turntrans-63.9-14.4176.9-79.8178.4400113.4L39 A41 Q149 R215L39-Q43 VanDerWaalsContact O-CB 3.23Å; L39-Q43 WeakPolarHBondContact O-CB 3.49Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.23Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 3.19Å; Q43-Q149 VanDerWaalsContact N-NE2 3.13Å; Q43-R215 PolarHBondContact O-NH1 2.72Å
44R98.1Very high96.2Very high72 Ų7237.3 Ų37.327%0.27222%0.224SC..THydrogen-bonded Turntrans-114.512.3177.6-62.9-172.671.9-176.2-1.8112.9F13 P14 P16 M40 A41 Y42 I46 L208F13-R44 PolarHBondContact O-NH1 3.11Å; P14-R44 PolarHBondContact O-NH2 3.35Å; P16-R44 WeakPolarHBondContact CG-O 3.42Å; M40-R44 WeakPolarHBondContact O-CG 3.34Å; M40-R44 PolarHBondContact O-N 3.26Å; M40-R44 HydrophobicContact SD-CG 4.46Å; A41-R44 CarbonylContact O-C 3.55Å; A41-R44 WeakPolarHBondContact O-CA 3.27Å; A41-R44 PolarHBondContact O-N 3.48Å; Y42-R44 PolarHBondContact O-N 3.02Å; Y42-R44 VanDerWaalsContact O-N 3.09Å; R44-I46 VanDerWaalsContact C-N 3.3Å; R44-I46 HydrophobicContact CB-CD1 3.87Å; R44-I46 HydrophobicContact CB-CG1 4.27Å; R44-I46 PolarHBondContact O-N 3.34Å; R44-L208 WeakPolarHBondContact O-CD2 3.37Å
45G98.4Very high96.1Very high0 Ų039 Ų390%023%0.234CC..THydrogen-bonded Turntrans73.522.4178.800000114A41 Y42 R64A41-G45 PolarHBondContact O-N 3.06Å; Y42-G45 PolarHBondContact O-N 2.9Å; G45-R64 PolarHBondContact O-NH1 3.09Å
46I98.6Very high96Very high0 Ų039.2 Ų39.20%023%0.234CC..  trans-108.6138.4-177.1-56162.7000108.8F13 P16 L27 A41 Y42 R44 W58 W59F13-I46 HydrophobicContact CB-CD1 3.58Å; F13-I46 HydrophobicContact CD1-CD1 3.8Å; F13-I46 HydrophobicContact CD1-CG2 4.16Å; F13-I46 HydrophobicContact CD2-CD1 4.43Å; F13-I46 HydrophobicContact CE1-CG2 4.04Å; F13-I46 HydrophobicContact CG-CD1 3.69Å; P16-I46 HydrophobicContact CG-CD1 4.31Å; P16-I46 HydrophobicContact CG-CG1 4.28Å; L27-I46 HydrophobicContact CD2-CD1 3.38Å; L27-I46 HydrophobicContact CD2-CG1 3.63Å; L27-I46 HydrophobicContact CD2-CG2 4.25Å; A41-I46 CarbonylContact C-O 3.57Å; A41-I46 HydrophobicContact CB-CB 4Å; A41-I46 HydrophobicContact CB-CG2 4.17Å; A41-I46 WeakPolarHBondContact CB-O 3.41Å; A41-I46 WeakPolarHBondContact O-CA 3.49Å; A41-I46 WeakPolarHBondContact O-CB 3.48Å; A41-I46 PolarHBondContact O-N 3.17Å; Y42-I46 PolarHBondContact N-O 3.35Å; R44-I46 VanDerWaalsContact C-N 3.3Å; R44-I46 HydrophobicContact CB-CD1 3.87Å; R44-I46 HydrophobicContact CB-CG1 4.27Å; R44-I46 PolarHBondContact O-N 3.34Å; I46-W58 HydrophobicContact CG2-CB 3.79Å; I46-W58 HydrophobicContact CG2-CE3 4.1Å; I46-W59 VanDerWaalsContact CA-O 3.27Å; I46-W59 WeakPolarHBondContact CA-O 3.24Å
47F98.5Very high96Very high1 Ų138 Ų380%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-132.5150.6175.662.3-82.8000111.1Y42 W49 W58 W59 P61 R64 Q188 V189Y42-F47 HydrophobicContact CE1-CB 4.11Å; F47-W49 HydrophobicContact CD2-CB 4.03Å; F47-W49 HydrophobicContact CE2-CB 3.83Å; F47-W49 HydrophobicContact CE2-CE3 4.46Å; F47-W49 HydrophobicContact CE2-CG 4.42Å; F47-W58 WeakPolarHBondContact O-CA 3.46Å; F47-W59 HydrophobicContact CD1-CB 4.4Å; F47-W59 WeakPolarHBondContact CD1-O 3.47Å; F47-W59 HydrophobicContact CD2-CB 4.43Å; F47-W59 HydrophobicContact CE1-CB 3.92Å; F47-W59 HydrophobicContact CE2-CB 3.93Å; F47-W59 HydrophobicContact CE2-CG 4.5Å; F47-W59 HydrophobicContact CZ-CB 3.65Å; F47-W59 PolarHBondContact N-O 3.36Å; F47-W59 PolarHBondContact O-N 3.27Å; F47-P61 HydrophobicContact CE1-CG 4.24Å; F47-P61 HydrophobicContact CZ-CG 4.49Å; F47-R64 VanDerWaalsContact CD1-NH2 3.28Å; F47-Q188 HydrophobicContact CD1-CB 4.37Å; F47-Q188 HydrophobicContact CD1-CG 4.01Å; F47-Q188 HydrophobicContact CD2-CG 4.26Å; F47-Q188 HydrophobicContact CE1-CB 3.81Å; F47-Q188 HydrophobicContact CE1-CG 3.96Å; F47-Q188 HydrophobicContact CE2-CB 4.14Å; F47-Q188 HydrophobicContact CE2-CG 4.25Å; F47-Q188 VanDerWaalsContact CE2-OE1 3.3Å; F47-Q188 HydrophobicContact CG-CG 4.14Å; F47-Q188 HydrophobicContact CZ-CB 3.69Å; F47-Q188 HydrophobicContact CZ-CG 4.1Å; F47-V189 HydrophobicContact CZ-CG2 4.42Å
48P97.8Very high96Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-78.2136.9173.133.4-33.8000110.2L33 L38 F50 I56 L57 W58 Y120L33-P48 HydrophobicContact CD2-CB 4.1Å; L33-P48 HydrophobicContact CD2-CG 4.46Å; L38-P48 HydrophobicContact CD2-CG 3.8Å; P48-F50 HydrophobicContact CB-CE1 4.29Å; P48-I56 HydrophobicContact CB-CG2 4.44Å; P48-L57 WeakPolarHBondContact CA-O 3.41Å; P48-W58 HydrophobicContact CB-CE3 4.01Å; P48-W58 HydrophobicContact CB-CH2 4.28Å; P48-W58 HydrophobicContact CB-CZ3 3.86Å; P48-W58 HydrophobicContact CG-CZ3 4.17Å; P48-Y120 HydrophobicContact CG-CE2 4.5Å; P48-Y120 WeakPolarHBondContact CG-OH 3.49Å
49W96.9Very high96Very high111 Ų11139.5 Ų39.542%0.4223%0.225SC..  trans-156.5112.9171.9-177.741.4000110F47 L57 W59 W111F47-W49 HydrophobicContact CD2-CB 4.03Å; F47-W49 HydrophobicContact CE2-CB 3.83Å; F47-W49 HydrophobicContact CE2-CE3 4.46Å; F47-W49 HydrophobicContact CE2-CG 4.42Å; W49-L57 PolarHBondContact N-O 2.99Å; W49-L57 WeakPolarHBondContact O-CB 3.32Å; W49-W59 HydrophobicContact CB-CG 4.44Å; W49-W59 HydrophobicContact CE3-CD2 4.16Å; W49-W59 HydrophobicContact CE3-CG 4.41Å; W49-W59 HydrophobicContact CE3-CZ2 4.44Å; W49-W59 PolarHBondContact O-NE1 3.49Å; W49-W111 AromaticContact CD1-CD1 3.85Å; W49-W111 AromaticContact CD1-CG 3.55Å; W49-W111 AromaticContact NE1-CD1 3.91Å; W49-W111 AromaticContact NE1-CG 3.96Å
50F94.9Very high96Very high19 Ų1938.2 Ų38.28%0.08322%0.218CC..  trans-156.1157.2-172.958-82.3000110.2L33 P48 D54 I56 L57 W111 T113 V116L33-F50 HydrophobicContact CD1-CE1 4.47Å; L33-F50 HydrophobicContact CD1-CZ 4.15Å; L33-F50 HydrophobicContact CD2-CE1 4.43Å; P48-F50 HydrophobicContact CB-CE1 4.29Å; F50-D54 HydrophobicContact CB-CB 4.33Å; F50-I56 HydrophobicContact CD1-CB 4.35Å; F50-I56 HydrophobicContact CD1-CG2 4.04Å; F50-I56 HydrophobicContact CE1-CB 4.32Å; F50-I56 HydrophobicContact CE1-CG1 4.12Å; F50-I56 HydrophobicContact CE1-CG2 3.95Å; F50-I56 HydrophobicContact CE2-CG1 4.46Å; F50-I56 HydrophobicContact CZ-CG1 4.07Å; F50-L57 HydrophobicContact CB-CB 4.21Å; F50-L57 HydrophobicContact CB-CG 4.19Å; F50-W111 WeakPolarHBondContact O-CB 3.48Å; F50-T113 HydrophobicContact CE2-CG2 4.47Å; F50-V116 HydrophobicContact CE1-CG2 4.16Å; F50-V116 HydrophobicContact CZ-CG2 3.82Å
51S90.6Very high96Very high63 Ų6335.7 Ų35.744%0.44121%0.206SC..  trans-84.9157.4179.9-35.30000111.1G53 D54S51-G53 PolarHBondContact O-N 3.42Å; S51-D54 WeakPolarHBondContact CB-OD2 3.29Å; S51-D54 PolarHBondContact N-OD2 3.01Å; S51-D54 WeakPolarHBondContact O-CB 3.43Å; S51-D54 PolarHBondContact O-N 3.28Å; S51-D54 PolarHBondContact OG-OD2 3.08Å
52P87.5Confident96Very high92 Ų9239.5 Ų39.560%0.59723%0.227SC*.THydrogen-bonded Turntrans-53.5125.6168.7-23.633000111.5T113P52-T113 HydrophobicContact CB-CG2 4.24Å; P52-T113 HydrophobicContact CG-CG2 4.06Å
53G88Confident95.9Very high87 Ų8741.6 Ų41.690%0.89724%0.241SC*.THydrogen-bonded Turntrans93.9-19-177.700000114.7S51S51-G53 PolarHBondContact O-N 3.42Å
54D91.5Very high96Very high77 Ų7739 Ų3941%0.41223%0.228SC..SBendtrans-75.1153.6173.8-69.2-25.3000111.3F50 S51F50-D54 HydrophobicContact CB-CB 4.33Å; S51-D54 WeakPolarHBondContact CB-OD2 3.29Å; S51-D54 PolarHBondContact N-OD2 3.01Å; S51-D54 WeakPolarHBondContact O-CB 3.43Å; S51-D54 PolarHBondContact O-N 3.28Å; S51-D54 PolarHBondContact OG-OD2 3.08Å
55P93.3Very high96Very high74 Ų7435.5 Ų35.548%0.48122%0.215SC..PPolyproline II helixtrans-60.2153.8162.429.1-35000110L57P55-L57 HydrophobicContact CG-CD2 4.36Å; P55-L57 WeakPolarHBondContact O-CG 3.35Å; P55-L57 PolarHBondContact O-N 3.14Å
56I96.3Very high96Very high29 Ų2935.5 Ų35.515%0.14922%0.215CC..PPolyproline II helixtrans-56.4125.8173.8-58.4165000108.8L29 G30 L33 P48 F50 W58L29-I56 CarbonylContact C-O 3.55Å; L29-I56 VanDerWaalsContact CA-O 3.28Å; L29-I56 WeakPolarHBondContact CA-O 3.37Å; G30-I56 PolarHBondContact N-O 2.53Å; L33-I56 HydrophobicContact CD2-CD1 3.97Å; L33-I56 HydrophobicContact CD2-CG1 4.38Å; L33-I56 HydrophobicContact CD2-CG2 3.99Å; L33-I56 HydrophobicContact CG-CD1 3.8Å; L33-I56 HydrophobicContact CG-CG1 4.45Å; P48-I56 HydrophobicContact CB-CG2 4.44Å; F50-I56 HydrophobicContact CD1-CB 4.35Å; F50-I56 HydrophobicContact CD1-CG2 4.04Å; F50-I56 HydrophobicContact CE1-CB 4.32Å; F50-I56 HydrophobicContact CE1-CG1 4.12Å; F50-I56 HydrophobicContact CE1-CG2 3.95Å; F50-I56 HydrophobicContact CE2-CG1 4.46Å; F50-I56 HydrophobicContact CZ-CG1 4.07Å; I56-W58 HydrophobicContact CG2-CD2 4.28Å; I56-W58 HydrophobicContact CG2-CZ2 3.7Å
57L97.5Very high96Very high30 Ų3035.7 Ų35.716%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-113.1141.9174.8-56.9178.9000109.6L26 L29 P48 W49 F50 P55 W59L26-L57 HydrophobicContact CD1-CB 3.95Å; L26-L57 HydrophobicContact CD1-CD1 4.42Å; L26-L57 HydrophobicContact CD1-CD2 4.25Å; L26-L57 HydrophobicContact CD1-CG 4.43Å; L29-L57 HydrophobicContact CB-CD2 3.7Å; P48-L57 WeakPolarHBondContact CA-O 3.41Å; W49-L57 PolarHBondContact N-O 2.99Å; W49-L57 WeakPolarHBondContact O-CB 3.32Å; F50-L57 HydrophobicContact CB-CB 4.21Å; F50-L57 HydrophobicContact CB-CG 4.19Å; P55-L57 HydrophobicContact CG-CD2 4.36Å; P55-L57 WeakPolarHBondContact O-CG 3.35Å; P55-L57 PolarHBondContact O-N 3.14Å; L57-W59 HydrophobicContact CD1-CZ2 4.25Å
58W98.1Very high96Very high0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-119.5131.2-175.5-59.692.5000110.4L6 F13 L27 A28 G30 D32 L33 R37 L38 A41 I46 F47 P48 I56L6-W58 HydrophobicContact CD1-CG 4.21Å; F13-W58 HydrophobicContact CE1-CB 3.95Å; F13-W58 AromaticContact CE1-CD2 3.43Å; F13-W58 HydrophobicContact CE1-CD2 3.43Å; F13-W58 VanDerWaalsContact CE1-CD2 3.43Å; F13-W58 AromaticContact CE1-CE2 3.91Å; F13-W58 AromaticContact CE1-CE3 3.71Å; F13-W58 HydrophobicContact CE1-CE3 3.71Å; F13-W58 AromaticContact CE1-CG 3.55Å; F13-W58 HydrophobicContact CE1-CG 3.55Å; F13-W58 HydrophobicContact CE1-CZ3 4.36Å; F13-W58 AromaticContact CZ-CD2 3.68Å; F13-W58 HydrophobicContact CZ-CD2 3.68Å; F13-W58 AromaticContact CZ-CE2 3.89Å; F13-W58 AromaticContact CZ-CE3 3.65Å; F13-W58 HydrophobicContact CZ-CE3 3.65Å; F13-W58 HydrophobicContact CZ-CG 4.29Å; F13-W58 HydrophobicContact CZ-CH2 4.06Å; F13-W58 HydrophobicContact CZ-CZ2 4.09Å; F13-W58 AromaticContact CZ-CZ3 3.83Å; F13-W58 HydrophobicContact CZ-CZ3 3.83Å; L27-W58 WeakPolarHBondContact CB-O 3.32Å; L27-W58 PolarHBondContact N-O 2.88Å; A28-W58 HydrophobicContact CB-CB 4.41Å; A28-W58 PolarHBondContact N-O 3.24Å; A28-W58 PolarHBondContact O-N 2.9Å; G30-W58 PolarHBondContact O-NE1 3Å; D32-W58 WeakPolarHBondContact O-CZ2 3.48Å; L33-W58 HydrophobicContact CD2-CH2 4.11Å; L33-W58 HydrophobicContact CD2-CZ2 4.28Å; R37-W58 VanDerWaalsContact CD-CZ2 3.47Å; R37-W58 HydrophobicContact CG-CH2 4.1Å; R37-W58 HydrophobicContact CG-CZ2 4.22Å; L38-W58 HydrophobicContact CD2-CH2 3.91Å; L38-W58 HydrophobicContact CD2-CZ3 4.01Å; A41-W58 HydrophobicContact CB-CE3 3.95Å; A41-W58 HydrophobicContact CB-CZ3 3.63Å; I46-W58 HydrophobicContact CG2-CB 3.79Å; I46-W58 HydrophobicContact CG2-CE3 4.1Å; F47-W58 WeakPolarHBondContact O-CA 3.46Å; P48-W58 HydrophobicContact CB-CE3 4.01Å; P48-W58 HydrophobicContact CB-CH2 4.28Å; P48-W58 HydrophobicContact CB-CZ3 3.86Å; P48-W58 HydrophobicContact CG-CZ3 4.17Å; I56-W58 HydrophobicContact CG2-CD2 4.28Å; I56-W58 HydrophobicContact CG2-CZ2 3.7Å
59W98.5Very high96Very high32 Ų3239 Ų3912%0.12123%0.229CC..EExtended strand (participates in β ladder)trans-126.2146-167.7-6179.2000112.7P23 N24 G25 L26 I46 F47 W49 L57P23-W59 HydrophobicContact CB-CH2 3.92Å; P23-W59 HydrophobicContact CB-CZ3 4.01Å; P23-W59 HydrophobicContact CG-CH2 3.97Å; P23-W59 HydrophobicContact CG-CZ3 4.25Å; N24-W59 VanDerWaalsContact O-CE3 3.29Å; N24-W59 WeakPolarHBondContact O-CZ3 3.38Å; G25-W59 CarbonylContact O-C 3.41Å; G25-W59 VanDerWaalsContact O-CA 3.25Å; G25-W59 WeakPolarHBondContact O-CA 3.18Å; L26-W59 HydrophobicContact CB-CD2 4.32Å; L26-W59 HydrophobicContact CB-CE3 3.94Å; L26-W59 HydrophobicContact CB-CH2 3.98Å; L26-W59 HydrophobicContact CB-CZ2 4.35Å; L26-W59 HydrophobicContact CB-CZ3 3.76Å; L26-W59 HydrophobicContact CD1-CD2 4.28Å; L26-W59 HydrophobicContact CD1-CH2 4.48Å; L26-W59 HydrophobicContact CD1-CZ2 4.01Å; I46-W59 VanDerWaalsContact CA-O 3.27Å; I46-W59 WeakPolarHBondContact CA-O 3.24Å; F47-W59 HydrophobicContact CD1-CB 4.4Å; F47-W59 WeakPolarHBondContact CD1-O 3.47Å; F47-W59 HydrophobicContact CD2-CB 4.43Å; F47-W59 HydrophobicContact CE1-CB 3.92Å; F47-W59 HydrophobicContact CE2-CB 3.93Å; F47-W59 HydrophobicContact CE2-CG 4.5Å; F47-W59 HydrophobicContact CZ-CB 3.65Å; F47-W59 PolarHBondContact N-O 3.36Å; F47-W59 PolarHBondContact O-N 3.27Å; W49-W59 HydrophobicContact CB-CG 4.44Å; W49-W59 HydrophobicContact CE3-CD2 4.16Å; W49-W59 HydrophobicContact CE3-CG 4.41Å; W49-W59 HydrophobicContact CE3-CZ2 4.44Å; W49-W59 PolarHBondContact O-NE1 3.49Å; L57-W59 HydrophobicContact CD1-CZ2 4.25Å
60S98.3Very high96Very high0 Ų040.4 Ų40.40%024%0.241CC..  trans-147.885.8167.9170.60000107.5G25 R204G25-S60 VanDerWaalsContact CA-O 3.26Å; G25-S60 WeakPolarHBondContact CA-O 3.27Å; G25-S60 PolarHBondContact O-N 3.17Å; S60-R204 PolarHBondContact O-NE 2.8Å; S60-R204 PolarHBondContact O-NH2 2.93Å; S60-R204 WeakPolarHBondContact OG-CD 3.48Å
61P98.1Very high96.1Very high4 Ų442.8 Ų42.83%0.02626%0.26CS..  trans-66159.5-175.929.6-37.1000113.2F47 P63 V189 R204F47-P61 HydrophobicContact CE1-CG 4.24Å; F47-P61 HydrophobicContact CZ-CG 4.49Å; P61-P63 CarbonylContact C-O 3.51Å; P61-V189 HydrophobicContact CG-CG2 4.15Å; P61-R204 WeakPolarHBondContact O-CB 3.26Å; P61-R204 PolarHBondContact O-NE 3.3Å
62D97.9Very high96.4Very high80 Ų8041 Ų4143%0.42825%0.245SC..SBendtrans-136.3116.3166.4-168.317.8000109N24 R204N24-D62 PolarHBondContact ND2-O 2.61Å; N24-D62 PolarHBondContact OD1-N 3.03Å; N24-D62 PolarHBondContact OD1-O 2.83Å; D62-R204 HydrophobicContact CB-CB 3.78Å; D62-R204 PolarHBondContact OD1-N 3.17Å
63P98.1Very high96.9Very high46 Ų4642 Ų4230%0.29924%0.241SC..SBendcis-68.1167.4-0.331.6-37.4000113.7P61 E201 I202P61-P63 CarbonylContact C-O 3.51Å; P63-E201 HydrophobicContact CB-CB 3.79Å; P63-E201 HydrophobicContact CB-CG 4.12Å; P63-E201 HydrophobicContact CG-CB 3.91Å; P63-E201 HydrophobicContact CG-CG 3.84Å; P63-E201 WeakPolarHBondContact CG-OE1 3.05Å; P63-I202 CarbonylContact C-O 3.57Å; P63-I202 WeakPolarHBondContact CA-O 3.22Å; P63-I202 WeakPolarHBondContact CB-O 3.44Å
64R98.5Very high97.2Very high1 Ų138.9 Ų38.90%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-103.4132.7171.5-17273.2169.9-145.88.8109.4G45 F47 V66 D186 Q188 E201 I202 Y207G45-R64 PolarHBondContact O-NH1 3.09Å; F47-R64 VanDerWaalsContact CD1-NH2 3.28Å; R64-V66 HydrophobicContact CG-CG1 4.37Å; R64-D186 IonicContact CZ-OD1 3.43Å; R64-D186 IonicContact CZ-OD2 3.5Å; R64-D186 IonicContact NE-OD1 2.79Å; R64-D186 PolarHBondContact NE-OD1 2.95Å; R64-D186 IonicContact NE-OD2 3.63Å; R64-D186 VanDerWaalsContact NH2-CG 3.33Å; R64-D186 IonicContact NH2-OD1 3.24Å; R64-D186 PolarHBondContact NH2-OD1 3.25Å; R64-D186 IonicContact NH2-OD2 2.64Å; R64-D186 PolarHBondContact NH2-OD2 2.94Å; R64-Q188 WeakPolarHBondContact CD-O 3.44Å; R64-E201 WeakPolarHBondContact O-CA 3.38Å; R64-I202 PolarHBondContact N-O 2.99Å; R64-I202 PolarHBondContact O-N 3.1Å; R64-Y207 HydrophobicContact CB-CD1 4.41Å; R64-Y207 HydrophobicContact CB-CG 4.04Å; R64-Y207 HydrophobicContact CG-CD1 3.85Å; R64-Y207 HydrophobicContact CG-CD2 3.82Å; R64-Y207 HydrophobicContact CG-CE1 4.24Å; R64-Y207 HydrophobicContact CG-CE2 4.25Å; R64-Y207 HydrophobicContact CG-CG 3.62Å
65A98.6Very high97.4Very high0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-82.6132173.500000111.5C187 Q188 L190 C200A65-C187 HydrophobicContact CB-CB 4.11Å; A65-C187 CarbonylContact O-C 3.04Å; A65-C187 PolarHBondContact O-N 3.36Å; A65-Q188 PolarHBondContact N-O 2.82Å; A65-Q188 PolarHBondContact O-N 2.85Å; A65-L190 HydrophobicContact CB-CB 3.9Å; A65-L190 HydrophobicContact CB-CD1 4.13Å; A65-L190 VanDerWaalsContact CB-N 3.3Å; A65-C200 CarbonylContact C-O 3.41Å; A65-C200 WeakPolarHBondContact CA-O 3.45Å
66V98.7Very high97.5Very high0 Ų043.6 Ų43.60%021%0.213CC..EExtended strand (participates in β ladder)trans-137.6154.3179.6-58.90000110.6R64 L184 I185 A199 C200 I202 Y207R64-V66 HydrophobicContact CG-CG1 4.37Å; V66-L184 HydrophobicContact CB-CD1 3.86Å; V66-L184 HydrophobicContact CB-CD2 4.41Å; V66-L184 HydrophobicContact CB-CG 4.27Å; V66-L184 HydrophobicContact CG1-CD1 4.46Å; V66-L184 HydrophobicContact CG1-CD2 4.13Å; V66-L184 HydrophobicContact CG1-CG 4.48Å; V66-L184 HydrophobicContact CG2-CD1 4.11Å; V66-I185 CarbonylContact C-O 3.53Å; V66-I185 WeakPolarHBondContact CA-O 3.41Å; V66-A199 CarbonylContact O-C 3.59Å; V66-A199 VanDerWaalsContact O-CA 3.24Å; V66-A199 WeakPolarHBondContact O-CA 3.46Å; V66-C200 PolarHBondContact N-O 3.25Å; V66-C200 PolarHBondContact O-N 2.99Å; V66-I202 HydrophobicContact CG1-CD1 3.85Å; V66-I202 HydrophobicContact CG1-CG1 4.05Å; V66-I202 HydrophobicContact CG2-CD1 3.98Å; V66-I202 HydrophobicContact CG2-CG1 4.05Å; V66-I202 HydrophobicContact CG2-CG2 4.04Å; V66-Y207 HydrophobicContact CG1-CD2 3.86Å; V66-Y207 HydrophobicContact CG1-CE2 4.35Å
67L98.7Very high97.5Very high4 Ų445.5 Ų45.52%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-121.6116.8170.7172.967.8000108.4P69 L72 L170 I185 A199L67-P69 VanDerWaalsContact O-CD 3.32Å; L67-P69 WeakPolarHBondContact O-CD 3.15Å; L67-L72 HydrophobicContact CD2-CD1 3.98Å; L67-L170 HydrophobicContact CD2-CD1 4.18Å; L67-L170 HydrophobicContact CD2-CD2 4.13Å; L67-I185 HydrophobicContact CB-CB 4.22Å; L67-I185 HydrophobicContact CD2-CD1 4.3Å; L67-I185 PolarHBondContact N-O 2.98Å; L67-I185 PolarHBondContact O-N 3.23Å; L67-A199 HydrophobicContact CB-CB 4.37Å
68W98.5Very high97.4Very high64 Ų6444.2 Ų44.224%0.24222%0.222CC..  trans-73.8116.2164.6-54.994.9000106.9E70 S71 L72 L184 Y210 M214W68-E70 PolarHBondContact O-N 3.5Å; W68-S71 WeakPolarHBondContact O-CA 3.47Å; W68-S71 WeakPolarHBondContact O-CB 3.32Å; W68-S71 PolarHBondContact O-N 3Å; W68-L72 PolarHBondContact O-N 2.84Å; W68-L184 HydrophobicContact CD2-CD1 3.61Å; W68-L184 HydrophobicContact CE3-CD1 3.54Å; W68-L184 HydrophobicContact CG-CD1 4.29Å; W68-L184 HydrophobicContact CH2-CD1 3.84Å; W68-L184 HydrophobicContact CZ2-CD1 3.91Å; W68-L184 HydrophobicContact CZ3-CD1 3.67Å; W68-Y210 HydrophobicContact CH2-CD1 4.3Å; W68-Y210 HydrophobicContact CH2-CD2 4.06Å; W68-Y210 AromaticContact CH2-CE1 3.97Å; W68-Y210 HydrophobicContact CH2-CE1 3.97Å; W68-Y210 AromaticContact CH2-CE2 3.72Å; W68-Y210 HydrophobicContact CH2-CE2 3.72Å; W68-Y210 HydrophobicContact CH2-CG 4.35Å; W68-Y210 AromaticContact CH2-CZ 3.66Å; W68-Y210 HydrophobicContact CZ2-CD2 4.46Å; W68-Y210 AromaticContact CZ2-CE2 3.95Å; W68-Y210 HydrophobicContact CZ2-CE2 3.95Å; W68-M214 HydrophobicContact CZ3-CE 4.09Å
69P98.2Very high97.3Very high6 Ų650.6 Ų50.64%0.03925%0.25CC..G310 helixtrans-53.4-33.9-175.7-30.538.5000113.3L67 S71 L72 C174 F177 I178 K183 I185L67-P69 VanDerWaalsContact O-CD 3.32Å; L67-P69 WeakPolarHBondContact O-CD 3.15Å; P69-S71 PolarHBondContact O-N 2.97Å; P69-L72 VanDerWaalsContact O-CB 3.23Å; P69-L72 WeakPolarHBondContact O-CB 3.34Å; P69-L72 PolarHBondContact O-N 3.2Å; P69-C174 HydrophobicContact CB-CB 4.13Å; P69-F177 HydrophobicContact CG-CD1 3.87Å; P69-F177 HydrophobicContact CG-CE1 4.25Å; P69-I178 HydrophobicContact CB-CD1 3.59Å; P69-I178 HydrophobicContact CB-CG1 3.48Å; P69-I178 VanDerWaalsContact CB-CG1 3.48Å; P69-I178 HydrophobicContact CG-CG1 4.46Å; P69-K183 WeakPolarHBondContact CD-O 3.27Å; P69-I185 HydrophobicContact CG-CD1 4.23Å; P69-I185 HydrophobicContact CG-CG1 4.19Å
70E96.9Very high97.1Very high141 Ų14157.1 Ų57.166%0.65927%0.274SS*.G310 helixtrans-67.9-21.5177.8-63.3163.8168.800113.1W68 I178W68-E70 PolarHBondContact O-N 3.5Å; E70-I178 HydrophobicContact CG-CD1 4.04Å; E70-I178 HydrophobicContact CG-CG1 4.24Å
71S96.7Very high97.1Very high69 Ų6959 Ų5948%0.48328%0.283SS..G310 helixtrans-96.37.6177-57.80000112.9W68 P69 H73W68-S71 WeakPolarHBondContact O-CA 3.47Å; W68-S71 WeakPolarHBondContact O-CB 3.32Å; W68-S71 PolarHBondContact O-N 3Å; P69-S71 PolarHBondContact O-N 2.97Å; S71-H73 PolarHBondContact O-N 3.31Å
72L97.6Very high97Very high26 Ų2660 Ų6014%0.13629%0.287CS..  trans-56.6115.5178.2178.669.6000110.5L67 W68 P69 I74 L170 L171 C174 L197L67-L72 HydrophobicContact CD2-CD1 3.98Å; W68-L72 PolarHBondContact O-N 2.84Å; P69-L72 VanDerWaalsContact O-CB 3.23Å; P69-L72 WeakPolarHBondContact O-CB 3.34Å; P69-L72 PolarHBondContact O-N 3.2Å; L72-I74 HydrophobicContact CD1-CD1 4.32Å; L72-I74 HydrophobicContact CD2-CD1 3.76Å; L72-I74 HydrophobicContact CD2-CG1 4.18Å; L72-I74 HydrophobicContact CG-CD1 3.77Å; L72-I74 HydrophobicContact CG-CG1 4.12Å; L72-I74 PolarHBondContact O-N 2.94Å; L72-L170 HydrophobicContact CD1-CD2 3.68Å; L72-L170 HydrophobicContact CD1-CG 4.02Å; L72-L171 HydrophobicContact CD2-CB 4.37Å; L72-L171 HydrophobicContact CD2-CD1 3.92Å; L72-C174 HydrophobicContact CD2-CB 3.87Å; L72-L197 HydrophobicContact CD1-CB 4.32Å
73H97.2Very high96.8Very high112 Ų11264.1 Ų64.152%0.51930%0.301SS..  trans-85.6108.7-179177.2-112.3000110.8S71 S196 L197S71-H73 PolarHBondContact O-N 3.31Å; H73-S196 PolarHBondContact ND1-O 2.84Å; H73-L197 PolarHBondContact N-O 2.91Å
74I94.8Very high96.6Very high22 Ų2272.5 Ų72.511%0.11333%0.326CS..  trans-107.3116.4174.9-55.2-60.4000110.1L72 M78 K79 L171L72-I74 HydrophobicContact CD1-CD1 4.32Å; L72-I74 HydrophobicContact CD2-CD1 3.76Å; L72-I74 HydrophobicContact CD2-CG1 4.18Å; L72-I74 HydrophobicContact CG-CD1 3.77Å; L72-I74 HydrophobicContact CG-CG1 4.12Å; L72-I74 PolarHBondContact O-N 2.94Å; I74-M78 HydrophobicContact CG2-CB 3.65Å; I74-M78 HydrophobicContact CG2-CG 3.53Å; I74-K79 HydrophobicContact CB-CG 4.24Å; I74-K79 HydrophobicContact CG2-CG 3.58Å; I74-K79 WeakPolarHBondContact O-CE 3.24Å; I74-L171 HydrophobicContact CD1-CB 4.31Å; I74-L171 HydrophobicContact CD1-CD1 4.01Å; I74-L171 HydrophobicContact CD1-CD2 4.42Å; I74-L171 HydrophobicContact CD1-CG 4.49Å; I74-L171 HydrophobicContact CG1-CD1 3.87Å
75S94.9Very high96.5Very high41 Ų4172.7 Ų72.729%0.28733%0.328SS..  trans-61.5158.3178.878.10000112.3S77 M78 K79S75-S77 VanDerWaalsContact C-N 3.27Å; S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 PolarHBondContact OG-OG 3.33Å; S75-M78 PolarHBondContact O-N 2.98Å; S75-M78 VanDerWaalsContact O-N 3.14Å; S75-M78 WeakPolarHBondContact OG-CB 3.49Å; S75-M78 PolarHBondContact OG-N 3.14Å; S75-M78 VanDerWaalsContact OG-N 3.16Å; S75-K79 PolarHBondContact O-N 3.45Å
76R95.5Very high96.3Very high208 Ų20874.2 Ų74.279%0.78534%0.338SS*.Hα-helixtrans-58.1-37.3176.8-76-175.2-96.3173.4-7113R80R76-R80 WeakPolarHBondContact O-CG 3.46Å; R76-R80 PolarHBondContact O-N 2.83Å
77S95.9Very high96.3Very high69 Ų6974.3 Ų74.348%0.48334%0.338SS..Hα-helixtrans-67.1-43.5175.951.20000111.3S75 K79 R80 F81S75-S77 VanDerWaalsContact C-N 3.27Å; S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 PolarHBondContact OG-OG 3.33Å; S77-K79 PolarHBondContact O-N 3.04Å; S77-R80 PolarHBondContact O-N 3.26Å; S77-F81 PolarHBondContact O-N 2.94Å
78M95.6Very high96.3Very high3 Ų377.8 Ų77.82%0.01535%0.351CS..Hα-helixtrans-63.5-41177.8-175.962.3-171.300112.1I74 S75 R80 F81 H82 N164 K167 T168I74-M78 HydrophobicContact CG2-CB 3.65Å; I74-M78 HydrophobicContact CG2-CG 3.53Å; S75-M78 PolarHBondContact O-N 2.98Å; S75-M78 VanDerWaalsContact O-N 3.14Å; S75-M78 WeakPolarHBondContact OG-CB 3.49Å; S75-M78 PolarHBondContact OG-N 3.14Å; S75-M78 VanDerWaalsContact OG-N 3.16Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.1Å; M78-F81 HydrophobicContact CE-CD1 4.46Å; M78-F81 PolarHBondContact O-N 3.44Å; M78-F81 HydrophobicContact SD-CD1 4.25Å; M78-H82 WeakPolarHBondContact O-CB 3.42Å; M78-H82 PolarHBondContact O-N 3.22Å; M78-N164 HydrophobicContact CE-CB 4Å; M78-N164 HydrophobicContact SD-CB 3.56Å; M78-N164 VanDerWaalsContact SD-CB 3.56Å; M78-N164 VanDerWaalsContact SD-CG 3.54Å; M78-K167 HydrophobicContact CE-CB 3.6Å; M78-K167 HydrophobicContact SD-CB 4.05Å; M78-K167 HydrophobicContact SD-CD 4.38Å; M78-T168 WeakPolarHBondContact CE-OG1 3.24Å
79K95.6Very high96.3Very high135 Ų13574.7 Ų74.759%0.58734%0.34SS*.Hα-helixtrans-58.8-41.5174-67.8-173.4-179.3-1790112.1I74 S75 S77 K83I74-K79 HydrophobicContact CB-CG 4.24Å; I74-K79 HydrophobicContact CG2-CG 3.58Å; I74-K79 WeakPolarHBondContact O-CE 3.24Å; S75-K79 PolarHBondContact O-N 3.45Å; S77-K79 PolarHBondContact O-N 3.04Å; K79-K83 PolarHBondContact O-N 3.38Å
80R96Very high96.3Very high168 Ų16874.6 Ų74.663%0.63434%0.339SS*.Hα-helixtrans-67.2-42.6176.5-72.1-169.3-60.1-94.24.8112R76 S77 M78R76-R80 WeakPolarHBondContact O-CG 3.46Å; R76-R80 PolarHBondContact O-N 2.83Å; S77-R80 PolarHBondContact O-N 3.26Å; M78-R80 VanDerWaalsContact C-N 3.31Å; M78-R80 PolarHBondContact O-N 3.1Å
81F96.6Very high96.4Very high40 Ų4067.9 Ų67.918%0.17531%0.307CS..Hα-helixtrans-59.9-51.4175.9177.9-88.7000110.7S77 M78 K83 R84 S85 P86 Y87 N164S77-F81 PolarHBondContact O-N 2.94Å; M78-F81 HydrophobicContact CE-CD1 4.46Å; M78-F81 PolarHBondContact O-N 3.44Å; M78-F81 HydrophobicContact SD-CD1 4.25Å; F81-K83 VanDerWaalsContact C-N 3.32Å; F81-K83 PolarHBondContact O-N 3.47Å; F81-R84 CarbonylContact O-C 3.44Å; F81-R84 VanDerWaalsContact O-C 3.23Å; F81-R84 PolarHBondContact O-N 3.49Å; F81-S85 WeakPolarHBondContact O-CA 3.11Å; F81-S85 PolarHBondContact O-N 2.94Å; F81-P86 HydrophobicContact CE2-CG 4.49Å; F81-P86 HydrophobicContact CZ-CG 3.97Å; F81-Y87 HydrophobicContact CE1-CD2 4.04Å; F81-Y87 AromaticContact CE1-CE2 3.59Å; F81-Y87 HydrophobicContact CE1-CE2 3.59Å; F81-Y87 HydrophobicContact CZ-CD2 4.23Å; F81-Y87 AromaticContact CZ-CE2 3.46Å; F81-Y87 HydrophobicContact CZ-CE2 3.46Å; F81-Y87 VanDerWaalsContact CZ-CE2 3.46Å; F81-Y87 AromaticContact CZ-CZ 3.9Å; F81-N164 HydrophobicContact CD1-CB 3.8Å; F81-N164 WeakPolarHBondContact CD2-ND2 3.46Å; F81-N164 HydrophobicContact CE1-CB 3.67Å; F81-N164 HydrophobicContact CG-CB 4.35Å; F81-N164 WeakPolarHBondContact CG-ND2 3.35Å; F81-N164 HydrophobicContact CZ-CB 4.08Å
82H95.8Very high96.5Very high26 Ų2665.1 Ų65.112%0.1229%0.287CS..Hα-helixtrans-63.5-35.9-175.1-173.955.3000113M78 R84 S85 L171 F230M78-H82 WeakPolarHBondContact O-CB 3.42Å; M78-H82 PolarHBondContact O-N 3.22Å; H82-R84 PolarHBondContact O-N 3.27Å; H82-R84 VanDerWaalsContact O-N 3.12Å; H82-S85 VanDerWaalsContact O-CB 3.23Å; H82-S85 WeakPolarHBondContact O-CB 3.38Å; H82-S85 PolarHBondContact O-N 3.14Å; H82-L171 HydrophobicContact CB-CD2 4.07Å; H82-L171 VanDerWaalsContact CD2-CD2 3.46Å; H82-L171 WeakPolarHBondContact CD2-CD2 3.06Å; H82-F230 AromaticContact CE1-CD2 3.82Å; H82-F230 AromaticContact CE1-CE2 3.43Å; H82-F230 VanDerWaalsContact CE1-CE2 3.43Å; H82-F230 WeakPolarHBondContact CE1-CE2 3.28Å; H82-F230 AromaticContact CE1-CZ 3.61Å; H82-F230 AromaticContact NE2-CE2 3.74Å
83K94Very high96.6Very high166 Ų16670.9 Ų70.972%0.72231%0.308SS*.Hα-helixtrans-58.1-26.2174.6-174.7173.5-179.3176.90113.5K79 F81K79-K83 PolarHBondContact O-N 3.38Å; F81-K83 VanDerWaalsContact C-N 3.32Å; F81-K83 PolarHBondContact O-N 3.47Å
84R94.9Very high96.6Very high221 Ų22166 Ų6683%0.83429%0.287SS*.THydrogen-bonded Turntrans-120.131.9176.3-61.1-179.9179174.9-1.7110.4F81 H82F81-R84 CarbonylContact O-C 3.44Å; F81-R84 VanDerWaalsContact O-C 3.23Å; F81-R84 PolarHBondContact O-N 3.49Å; H82-R84 PolarHBondContact O-N 3.27Å; H82-R84 VanDerWaalsContact O-N 3.12Å
85S95.4Very high96.8Very high5 Ų565.1 Ų65.14%0.03528%0.282CS..  trans-59.6130.1-169.5-175.10000110F81 H82 Y87 P232F81-S85 WeakPolarHBondContact O-CA 3.11Å; F81-S85 PolarHBondContact O-N 2.94Å; H82-S85 VanDerWaalsContact O-CB 3.23Å; H82-S85 WeakPolarHBondContact O-CB 3.38Å; H82-S85 PolarHBondContact O-N 3.14Å; S85-Y87 PolarHBondContact O-N 3.16Å; S85-Y87 PolarHBondContact OG-N 3.4Å; S85-P232 WeakPolarHBondContact O-CB 3.46Å
86P95.9Very high97Very high32 Ų3264.3 Ų64.321%0.20828%0.281CS..  trans-76.51.7176.129-32.7000113.5F81 R136F81-P86 HydrophobicContact CE2-CG 4.49Å; F81-P86 HydrophobicContact CZ-CG 3.97Å; P86-R136 WeakPolarHBondContact O-CD 3.45Å; P86-R136 PolarHBondContact O-NH1 3.29Å; P86-R136 VanDerWaalsContact O-NH1 3.1Å
87Y98.2Very high97.1Very high2 Ų259.6 Ų59.61%0.00827%0.268CS..  trans-107.8142.5-164.3-55.4-44.5000113.4F81 S85 V134 W135 R136 V141 M162 E163 A165 T168 F230 P232F81-Y87 HydrophobicContact CE1-CD2 4.04Å; F81-Y87 AromaticContact CE1-CE2 3.59Å; F81-Y87 HydrophobicContact CE1-CE2 3.59Å; F81-Y87 HydrophobicContact CZ-CD2 4.23Å; F81-Y87 AromaticContact CZ-CE2 3.46Å; F81-Y87 HydrophobicContact CZ-CE2 3.46Å; F81-Y87 VanDerWaalsContact CZ-CE2 3.46Å; F81-Y87 AromaticContact CZ-CZ 3.9Å; S85-Y87 PolarHBondContact O-N 3.16Å; S85-Y87 PolarHBondContact OG-N 3.4Å; Y87-V134 HydrophobicContact CD1-CG1 4.13Å; Y87-V134 HydrophobicContact CD2-CG1 3.71Å; Y87-V134 HydrophobicContact CE2-CG1 4.42Å; Y87-V134 HydrophobicContact CG-CG1 3.55Å; Y87-W135 CarbonylContact C-O 3.57Å; Y87-W135 VanDerWaalsContact CA-O 3.22Å; Y87-W135 WeakPolarHBondContact CA-O 3.47Å; Y87-R136 HydrophobicContact CD1-CB 4.23Å; Y87-R136 HydrophobicContact CE1-CB 4.29Å; Y87-V141 HydrophobicContact CD1-CG2 4.02Å; Y87-V141 HydrophobicContact CE1-CG2 3.84Å; Y87-M162 HydrophobicContact CE1-CB 4.36Å; Y87-M162 HydrophobicContact CE1-CE 4.31Å; Y87-M162 HydrophobicContact CE1-SD 4.16Å; Y87-M162 VanDerWaalsContact OH-CB 3.27Å; Y87-M162 WeakPolarHBondContact OH-CB 3.28Å; Y87-E163 WeakPolarHBondContact CE2-O 3.44Å; Y87-E163 PolarHBondContact OH-O 3.19Å; Y87-A165 HydrophobicContact CE2-CB 4.25Å; Y87-T168 HydrophobicContact CD2-CG2 4.2Å; Y87-F230 VanDerWaalsContact O-CD1 3.26Å; Y87-F230 WeakPolarHBondContact O-CD1 3.4Å; Y87-F230 WeakPolarHBondContact O-CE1 3.36Å; Y87-P232 VanDerWaalsContact O-CD 3.27Å; Y87-P232 WeakPolarHBondContact O-CD 2.84Å; Y87-P232 WeakPolarHBondContact O-CG 3.47Å
88R98.4Very high97.2Very high77 Ų7756.3 Ų56.329%0.29125%0.245SC..EExtended strand (participates in β ladder)trans-93.5136.3161.2175.1173.856.878.23.3108.4T90 W135 E137 F230R88-T90 HydrophobicContact CG-CG2 4.37Å; R88-W135 HydrophobicContact CB-CB 4.36Å; R88-W135 PolarHBondContact N-O 3.27Å; R88-W135 PolarHBondContact O-N 2.93Å; R88-E137 PolarHBondContact NH2-O 3Å; R88-F230 CarbonylContact C-O 3.23Å; R88-F230 WeakPolarHBondContact CA-O 3.34Å
89V98.8Very high97.3Very high0 Ų056.2 Ų56.20%024%0.244CC..EExtended strand (participates in β ladder)trans-115.6126.5176.2-172.70000109.9I132 E133 V134 T168 V172 L229 F230V89-I132 HydrophobicContact CG1-CG2 3.52Å; V89-E133 CarbonylContact C-O 3.58Å; V89-E133 VanDerWaalsContact CA-O 3.23Å; V89-E133 WeakPolarHBondContact CA-O 3.35Å; V89-V134 HydrophobicContact CG1-CG2 4.49Å; V89-V134 HydrophobicContact CG2-CG2 4.22Å; V89-T168 HydrophobicContact CG2-CG2 3.77Å; V89-V172 HydrophobicContact CB-CB 4.49Å; V89-V172 HydrophobicContact CB-CG1 4.06Å; V89-V172 HydrophobicContact CG1-CB 4.25Å; V89-V172 HydrophobicContact CG1-CG1 3.92Å; V89-V172 HydrophobicContact CG2-CB 4.4Å; V89-V172 HydrophobicContact CG2-CG1 4.45Å; V89-V172 HydrophobicContact CG2-CG2 4.07Å; V89-L229 HydrophobicContact CG1-CD1 4.46Å; V89-L229 PolarHBondContact O-N 3.34Å; V89-F230 HydrophobicContact CB-CB 4Å; V89-F230 HydrophobicContact CG2-CB 4.12Å; V89-F230 HydrophobicContact CG2-CD1 4.12Å; V89-F230 PolarHBondContact N-O 3.29Å; V89-F230 PolarHBondContact O-N 2.87Å
90T98.8Very high97.4Very high3 Ų354.5 Ų54.52%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-118.5166.1174.959.80000111.3R88 Y93 I132 E133 W135 R227 C228R88-T90 HydrophobicContact CG-CG2 4.37Å; T90-Y93 HydrophobicContact CG2-CD2 4.15Å; T90-I132 WeakPolarHBondContact O-CA 3.46Å; T90-E133 WeakPolarHBondContact CB-OE2 3.45Å; T90-E133 PolarHBondContact N-O 3.24Å; T90-E133 PolarHBondContact O-N 2.73Å; T90-E133 VanDerWaalsContact O-OE2 3.04Å; T90-E133 PolarHBondContact OG1-OE2 3.14Å; T90-W135 PolarHBondContact OG1-NE1 2.66Å; T90-R227 WeakPolarHBondContact CA-O 3.39Å; T90-C228 HydrophobicContact CG2-CB 4.4Å
91M98.8Very high97.4Very high0 Ų046.5 Ų46.50%021%0.209CC..EExtended strand (participates in β ladder)trans-120.8136.2171.6-178.4-173.8-7200109.2Y93 S131 I132 E133 F173 F223 W224 P226 R227 L229M91-Y93 WeakPolarHBondContact O-CD2 3.45Å; M91-Y93 PolarHBondContact O-N 2.99Å; M91-Y93 VanDerWaalsContact O-N 3.14Å; M91-S131 VanDerWaalsContact CA-O 3.32Å; M91-S131 WeakPolarHBondContact CA-O 3.36Å; M91-I132 HydrophobicContact CB-CD1 4.13Å; M91-I132 HydrophobicContact CE-CD1 3.8Å; M91-I132 HydrophobicContact CG-CD1 3.94Å; M91-E133 WeakPolarHBondContact CA-OE2 3.23Å; M91-E133 PolarHBondContact N-OE2 2.83Å; M91-F173 HydrophobicContact CE-CD2 4.46Å; M91-F223 HydrophobicContact CE-CE1 4.14Å; M91-F223 HydrophobicContact CE-CZ 4.19Å; M91-W224 HydrophobicContact CE-CE3 4.12Å; M91-W224 HydrophobicContact CE-CZ3 4.07Å; M91-W224 HydrophobicContact SD-CE3 3.62Å; M91-W224 HydrophobicContact SD-CZ3 4.14Å; M91-P226 VanDerWaalsContact O-CA 3.24Å; M91-P226 WeakPolarHBondContact O-CA 3.47Å; M91-R227 PolarHBondContact N-O 2.96Å; M91-R227 PolarHBondContact O-N 3.14Å; M91-L229 HydrophobicContact CB-CD1 4.07Å; M91-L229 HydrophobicContact CB-CD2 4.22Å; M91-L229 HydrophobicContact CB-CG 4.16Å; M91-L229 HydrophobicContact CE-CD1 3.96Å; M91-L229 HydrophobicContact CE-CD2 4.08Å
92N98.7Very high97.4Very high12 Ų1244.6 Ų44.66%0.06420%0.2CC..SBendtrans55.824.9171.8-64.7-26.7000115.7H130 S131 E133 W224 P226N92-H130 PolarHBondContact ND2-ND1 3.37Å; N92-H130 WeakPolarHBondContact OD1-CA 3.45Å; N92-H130 WeakPolarHBondContact OD1-CB 3.37Å; N92-S131 PolarHBondContact N-O 3.42Å; N92-S131 PolarHBondContact OD1-N 3.12Å; N92-E133 WeakPolarHBondContact CA-OE1 3.12Å; N92-E133 PolarHBondContact N-OE1 2.88Å; N92-E133 VanDerWaalsContact N-OE1 3.08Å; N92-E133 PolarHBondContact N-OE2 2.84Å; N92-W224 PolarHBondContact ND2-O 3.06Å; N92-P226 HydrophobicContact CB-CB 4.36Å; N92-P226 HydrophobicContact CB-CG 3.95Å
93Y98.3Very high97.3Very high146 Ų14644.3 Ų44.357%0.57320%0.202SC*.SBendtrans-88-29.3172.3-89.4-96.8000112.7T90 M91 E133 P226T90-Y93 HydrophobicContact CG2-CD2 4.15Å; M91-Y93 WeakPolarHBondContact O-CD2 3.45Å; M91-Y93 PolarHBondContact O-N 2.99Å; M91-Y93 VanDerWaalsContact O-N 3.14Å; Y93-E133 PolarHBondContact N-OE1 2.9Å; Y93-E133 PolarHBondContact N-OE2 2.71Å; Y93-P226 HydrophobicContact CD2-CB 3.99Å; Y93-P226 HydrophobicContact CE2-CB 3.82Å
94A98.3Very high97.1Very high9 Ų940 Ų407%0.07419%0.193CC..  trans-146.147.5-170.900000112.6G96 Q97 V98 E133 W135A94-G96 VanDerWaalsContact C-N 3.29Å; A94-G96 PolarHBondContact O-N 2.93Å; A94-Q97 HydrophobicContact CB-CB 4.08Å; A94-Q97 HydrophobicContact CB-CG 4.18Å; A94-Q97 PolarHBondContact O-N 3.5Å; A94-V98 PolarHBondContact O-N 3.35Å; A94-E133 HydrophobicContact CB-CG 4.15Å; A94-E133 PolarHBondContact N-OE1 3.24Å; A94-W135 HydrophobicContact CB-CH2 3.81Å; A94-W135 HydrophobicContact CB-CZ2 3.71Å
95F98.7Very high96.2Very high4 Ų432.8 Ų32.82%0.01817%0.171CC..Hα-helixtrans-50.3-48.1179.4-174.9-86.7000112.7Q97 V98 I99 Y120 H124 A129 S131 Y145F95-Q97 VanDerWaalsContact C-N 3.33Å; F95-Q97 PolarHBondContact O-N 2.87Å; F95-V98 PolarHBondContact O-N 3.47Å; F95-V98 VanDerWaalsContact O-N 3.17Å; F95-I99 HydrophobicContact CD1-CG2 4.44Å; F95-I99 HydrophobicContact CE1-CB 4.43Å; F95-I99 HydrophobicContact CE1-CD1 4.34Å; F95-I99 HydrophobicContact CE1-CG2 4.26Å; F95-I99 WeakPolarHBondContact O-CG2 3.41Å; F95-I99 PolarHBondContact O-N 3.05Å; F95-Y120 WeakPolarHBondContact CE1-O 3.48Å; F95-H124 HydrophobicContact CB-CB 4.41Å; F95-H124 VanDerWaalsContact CB-CD2 3.48Å; F95-H124 WeakPolarHBondContact CB-CD2 3.43Å; F95-H124 HydrophobicContact CD1-CB 3.62Å; F95-H124 AromaticContact CD1-CG 3.81Å; F95-H124 HydrophobicContact CD2-CB 3.9Å; F95-H124 AromaticContact CD2-CG 3.7Å; F95-H124 AromaticContact CD2-ND1 3.56Å; F95-H124 HydrophobicContact CE1-CB 3.8Å; F95-H124 HydrophobicContact CE2-CB 4.06Å; F95-H124 HydrophobicContact CG-CB 3.69Å; F95-H124 AromaticContact CG-CD2 3.75Å; F95-H124 AromaticContact CG-CG 3.41Å; F95-H124 VanDerWaalsContact CG-CG 3.41Å; F95-H124 AromaticContact CG-ND1 3.68Å; F95-H124 HydrophobicContact CZ-CB 4.02Å; F95-A129 HydrophobicContact CE2-CB 3.66Å; F95-A129 HydrophobicContact CZ-CB 3.67Å; F95-S131 WeakPolarHBondContact CA-OG 3.35Å; F95-S131 WeakPolarHBondContact CB-OG 3.32Å; F95-S131 PolarHBondContact N-OG 3.47Å; F95-Y145 HydrophobicContact CE2-CD2 4.24Å; F95-Y145 HydrophobicContact CE2-CG 4.41Å; F95-Y145 HydrophobicContact CZ-CD2 4.06Å; F95-Y145 HydrophobicContact CZ-CG 4.47Å
96G98.3Very high95.4Very high25 Ų2537.9 Ų37.926%0.25819%0.189SC..Hα-helixtrans-56.2-44.2176.800000112.8A94 V98 I99 E100A94-G96 VanDerWaalsContact C-N 3.29Å; A94-G96 PolarHBondContact O-N 2.93Å; G96-V98 PolarHBondContact O-N 3.26Å; G96-I99 WeakPolarHBondContact O-CG2 3.46Å; G96-E100 WeakPolarHBondContact O-CB 3.15Å; G96-E100 WeakPolarHBondContact O-CG 3.49Å; G96-E100 PolarHBondContact O-N 3.09Å; G96-E100 VanDerWaalsContact O-N 3.1Å
97Q98.2Very high94.2Very high109 Ų10946.2 Ų46.251%0.50923%0.226SC..Hα-helixtrans-69.4-34.6179-59.9-177.146.500112.2A94 F95 G101 L140A94-Q97 HydrophobicContact CB-CB 4.08Å; A94-Q97 HydrophobicContact CB-CG 4.18Å; A94-Q97 PolarHBondContact O-N 3.5Å; F95-Q97 VanDerWaalsContact C-N 3.33Å; F95-Q97 PolarHBondContact O-N 2.87Å; Q97-G101 PolarHBondContact O-N 3.09Å; Q97-L140 HydrophobicContact CB-CD2 3.5Å
98V98.6Very high93Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-68.4-46177.8168.70000111.9A94 F95 G96 E100 G101 C102 E133 L140 Y145 F159A94-V98 PolarHBondContact O-N 3.35Å; F95-V98 PolarHBondContact O-N 3.47Å; F95-V98 VanDerWaalsContact O-N 3.17Å; G96-V98 PolarHBondContact O-N 3.26Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-G101 PolarHBondContact O-N 3.12Å; V98-C102 PolarHBondContact O-N 3.45Å; V98-C102 PolarHBondContact O-SG 3.34Å; V98-E133 HydrophobicContact CG2-CB 4.31Å; V98-E133 HydrophobicContact CG2-CG 3.53Å; V98-L140 HydrophobicContact CG2-CD2 4.17Å; V98-Y145 HydrophobicContact CG1-CD1 4.32Å; V98-F159 HydrophobicContact CB-CE1 4.36Å; V98-F159 HydrophobicContact CG1-CE1 4.19Å; V98-F159 HydrophobicContact CG2-CE1 4.33Å
99I97.9Very high92Very high0 Ų054.3 Ų54.30%028%0.279CS..Hα-helixtrans-68.2-35.8180-168.6163.3000111.3F95 G96 C102 A103 I112 V117 Y120 Y145F95-I99 HydrophobicContact CD1-CG2 4.44Å; F95-I99 HydrophobicContact CE1-CB 4.43Å; F95-I99 HydrophobicContact CE1-CD1 4.34Å; F95-I99 HydrophobicContact CE1-CG2 4.26Å; F95-I99 WeakPolarHBondContact O-CG2 3.41Å; F95-I99 PolarHBondContact O-N 3.05Å; G96-I99 WeakPolarHBondContact O-CG2 3.46Å; I99-C102 WeakPolarHBondContact O-CB 3.5Å; I99-C102 PolarHBondContact O-N 2.85Å; I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 3.07Å; I99-I112 HydrophobicContact CD1-CG2 4.38Å; I99-I112 HydrophobicContact CG1-CG2 3.89Å; I99-V117 HydrophobicContact CG1-CG2 4.31Å; I99-V117 HydrophobicContact CG2-CG1 3.97Å; I99-Y120 HydrophobicContact CD1-CG 4.16Å; I99-Y145 HydrophobicContact CB-CD1 4.29Å; I99-Y145 HydrophobicContact CB-CE1 4.24Å; I99-Y145 HydrophobicContact CD1-CD2 4.47Å; I99-Y145 HydrophobicContact CD1-CE1 4.2Å; I99-Y145 HydrophobicContact CD1-CE2 3.92Å; I99-Y145 HydrophobicContact CG1-CD1 4.3Å; I99-Y145 HydrophobicContact CG1-CE1 3.77Å; I99-Y145 HydrophobicContact CG1-CE2 4.4Å
100E96.9Very high91.5Very high99 Ų9955.8 Ų55.846%0.46329%0.288SS..Hα-helixtrans-64.5-43.9171.9-71.2-68.9175.100111.5G96 V98 C102 A103 S104G96-E100 WeakPolarHBondContact O-CB 3.15Å; G96-E100 WeakPolarHBondContact O-CG 3.49Å; G96-E100 PolarHBondContact O-N 3.09Å; G96-E100 VanDerWaalsContact O-N 3.1Å; V98-E100 VanDerWaalsContact C-N 3.32Å; E100-C102 VanDerWaalsContact C-N 3.28Å; E100-C102 PolarHBondContact O-N 2.86Å; E100-A103 CarbonylContact O-C 3.59Å; E100-A103 WeakPolarHBondContact O-CA 3.22Å; E100-A103 WeakPolarHBondContact O-CB 3.39Å; E100-A103 PolarHBondContact O-N 2.95Å; E100-S104 PolarHBondContact O-N 3.38Å; E100-S104 PolarHBondContact O-OG 3.38Å
101G96.5Very high91.2Very high1 Ų157 Ų571%0.0129%0.292CS..Hα-helixtrans-59.8-37.5173.600000113Q97 V98 A103 D105Q97-G101 PolarHBondContact O-N 3.09Å; V98-G101 PolarHBondContact O-N 3.12Å; G101-A103 VanDerWaalsContact C-N 3.28Å; G101-A103 PolarHBondContact O-N 3.37Å; G101-D105 WeakPolarHBondContact O-CB 3.22Å; G101-D105 PolarHBondContact O-N 2.95Å
102C95.8Very high91Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-67.6-27.2172.3-67.20000113.6V98 I99 E100 R106 I112 Y145 S157V98-C102 PolarHBondContact O-N 3.45Å; V98-C102 PolarHBondContact O-SG 3.34Å; I99-C102 WeakPolarHBondContact O-CB 3.5Å; I99-C102 PolarHBondContact O-N 2.85Å; E100-C102 VanDerWaalsContact C-N 3.28Å; E100-C102 PolarHBondContact O-N 2.86Å; C102-R106 PolarHBondContact O-NE 3.13Å; C102-I112 HydrophobicContact CB-CD1 3.52Å; C102-Y145 HydrophobicContact CB-CD1 4.41Å; C102-Y145 HydrophobicContact CB-CE1 3.94Å; C102-S157 WeakPolarHBondContact CB-OG 3.1Å; C102-S157 PolarHBondContact SG-OG 2.96Å
103A94.1Very high90.7Very high19 Ų1958.3 Ų58.316%0.15730%0.301CS..Hα-helixtrans-82.8-39.8179.800000112.4I99 E100 G101 T110 I112I99-A103 WeakPolarHBondContact O-CB 3.32Å; I99-A103 PolarHBondContact O-N 3.07Å; E100-A103 CarbonylContact O-C 3.59Å; E100-A103 WeakPolarHBondContact O-CA 3.22Å; E100-A103 WeakPolarHBondContact O-CB 3.39Å; E100-A103 PolarHBondContact O-N 2.95Å; G101-A103 VanDerWaalsContact C-N 3.28Å; G101-A103 PolarHBondContact O-N 3.37Å; A103-T110 HydrophobicContact CB-CG2 4.41Å; A103-T110 WeakPolarHBondContact O-CG2 3.21Å; A103-I112 HydrophobicContact CB-CB 3.96Å; A103-I112 HydrophobicContact CB-CG2 3.8Å
104S89.1Confident90.5Very high75 Ų7560.8 Ų60.852%0.52431%0.309SS..Hα-helixtrans-84.3-32.6-174.660.30000114.5E100 R106E100-S104 PolarHBondContact O-N 3.38Å; E100-S104 PolarHBondContact O-OG 3.38Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 2.88Å; S104-R106 VanDerWaalsContact O-N 3.11Å
105D77Confident90.3Very high71 Ų7161.9 Ų61.938%0.3832%0.321SS..SBendtrans-93.644.6-163.6-59.1-3.7000112.5G101 F159 R161G101-D105 WeakPolarHBondContact O-CB 3.22Å; G101-D105 PolarHBondContact O-N 2.95Å; D105-F159 WeakPolarHBondContact OD2-CD2 3.5Å; D105-R161 IonicContact OD1-NH2 3.64Å; D105-R161 WeakPolarHBondContact OD2-CG 3.42Å; D105-R161 IonicContact OD2-CZ 3.46Å; D105-R161 IonicContact OD2-NE 3.78Å; D105-R161 PolarHBondContact OD2-NE 2.99Å; D105-R161 IonicContact OD2-NH2 3.26Å; D105-R161 PolarHBondContact OD2-NH2 3Å
106R77.9Confident90.2Very high111 Ų11161.7 Ų61.742%0.41932%0.32SS..  trans-132.4111.6-179.7-64.6-170.4178.7-98.91.7112.8C102 S104 E108 G109 S157C102-R106 PolarHBondContact O-NE 3.13Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 2.88Å; S104-R106 VanDerWaalsContact O-N 3.11Å; R106-E108 VanDerWaalsContact C-N 3.34Å; R106-E108 PolarHBondContact O-N 2.87Å; R106-G109 WeakPolarHBondContact CB-O 3.37Å; R106-G109 PolarHBondContact O-N 3.21Å; R106-S157 PolarHBondContact NH2-OG 3.21Å
107E70.6Confident90.2Very high208 Ų20861.2 Ų61.297%0.97231%0.312SS*.THydrogen-bonded Turntrans-61.1-38.3179.6-65.6-175176.600113.1G109E107-G109 PolarHBondContact O-N 3.46Å
108E73.8Confident90.1Very high203 Ų20359.9 Ų59.995%0.94931%0.306SS*.THydrogen-bonded Turntrans-81.92.2-179.1-62.2178.5173.500113.4R106R106-E108 VanDerWaalsContact C-N 3.34Å; R106-E108 PolarHBondContact O-N 2.87Å
109G77.8Confident90.1Very high46 Ų4659.9 Ų59.947%0.47431%0.306SS..  trans89.8173.4-171.300000113.4R106 E107R106-G109 WeakPolarHBondContact CB-O 3.37Å; R106-G109 PolarHBondContact O-N 3.21Å; E107-G109 PolarHBondContact O-N 3.46Å
110T87.6Confident90.1Very high31 Ų3159.9 Ų59.919%0.1931%0.306CS..  trans-135.2148.9-175.1-169.20000111.3A103 I112A103-T110 HydrophobicContact CB-CG2 4.41Å; A103-T110 WeakPolarHBondContact O-CG2 3.21Å; T110-I112 HydrophobicContact CG2-CB 4.34Å; T110-I112 WeakPolarHBondContact OG1-CB 3.28Å; T110-I112 PolarHBondContact OG1-N 3.5Å; T110-I112 VanDerWaalsContact OG1-N 3.14Å
111W92.6Very high90.2Very high27 Ų2758.5 Ų58.510%0.10230%0.3CS..SBendtrans-79.9-1216868.4-89000112W49 F50 T113 V116 Y120 E156W49-W111 AromaticContact CD1-CD1 3.85Å; W49-W111 AromaticContact CD1-CG 3.55Å; W49-W111 AromaticContact NE1-CD1 3.91Å; W49-W111 AromaticContact NE1-CG 3.96Å; F50-W111 WeakPolarHBondContact O-CB 3.48Å; W111-T113 VanDerWaalsContact C-N 3.26Å; W111-T113 PolarHBondContact O-N 2.99Å; W111-V116 HydrophobicContact CE3-CG1 4.15Å; W111-V116 HydrophobicContact CE3-CG2 4.26Å; W111-V116 HydrophobicContact CH2-CG1 4.19Å; W111-V116 HydrophobicContact CZ3-CG1 3.6Å; W111-V116 HydrophobicContact CZ3-CG2 4.26Å; W111-Y120 WeakPolarHBondContact CH2-OH 3.48Å; W111-E156 WeakPolarHBondContact CH2-OE2 3.36Å; W111-E156 HydrophobicContact CZ2-CB 4.45Å
112I93.9Very high90.3Very high4 Ų463.7 Ų63.72%0.02132%0.319CS..  trans-81.374.8-177.5-52172.6000109.1I99 C102 A103 T110 V116 V117 Y145I99-I112 HydrophobicContact CD1-CG2 4.38Å; I99-I112 HydrophobicContact CG1-CG2 3.89Å; C102-I112 HydrophobicContact CB-CD1 3.52Å; A103-I112 HydrophobicContact CB-CB 3.96Å; A103-I112 HydrophobicContact CB-CG2 3.8Å; T110-I112 HydrophobicContact CG2-CB 4.34Å; T110-I112 WeakPolarHBondContact OG1-CB 3.28Å; T110-I112 PolarHBondContact OG1-N 3.5Å; T110-I112 VanDerWaalsContact OG1-N 3.14Å; I112-V116 HydrophobicContact CB-CG1 4.45Å; I112-V116 HydrophobicContact CG2-CB 4.35Å; I112-V116 HydrophobicContact CG2-CG1 3.98Å; I112-V117 HydrophobicContact CG2-CG2 3.79Å; I112-Y145 HydrophobicContact CD1-CE1 4.04Å; I112-Y145 WeakPolarHBondContact CD1-OH 3.15Å
113T93.3Very high90.4Very high36 Ų3663.7 Ų63.722%0.22132%0.319CS..  trans-68.8166.2172.966.20000111.2F50 P52 W111 G115 V116 V117F50-T113 HydrophobicContact CE2-CG2 4.47Å; P52-T113 HydrophobicContact CB-CG2 4.24Å; P52-T113 HydrophobicContact CG-CG2 4.06Å; W111-T113 VanDerWaalsContact C-N 3.26Å; W111-T113 PolarHBondContact O-N 2.99Å; T113-G115 PolarHBondContact O-N 3.03Å; T113-G115 VanDerWaalsContact O-N 3.13Å; T113-V116 WeakPolarHBondContact O-CA 3.36Å; T113-V116 WeakPolarHBondContact O-CB 3.49Å; T113-V116 PolarHBondContact O-N 3.04Å; T113-V116 PolarHBondContact OG1-N 3.46Å; T113-V117 PolarHBondContact O-N 3.41Å
114R92.9Very high90.7Very high199 Ų19964.9 Ų64.975%0.75132%0.321SS*.Hα-helixtrans-50.9-38.3172.2-172.4178.1681421.7113V116 V117 E118R114-V116 VanDerWaalsContact C-N 3.33Å; R114-V116 PolarHBondContact O-N 2.89Å; R114-V117 PolarHBondContact O-N 3.48Å; R114-E118 IonicContact CZ-OE1 3.66Å; R114-E118 IonicContact NE-OE1 3.64Å; R114-E118 WeakPolarHBondContact O-CG 3.44Å; R114-E118 PolarHBondContact O-N 3.46Å
115G94.9Very high91.1Very high32 Ų3267.5 Ų67.533%0.3333%0.325SS..Hα-helixtrans-65.8-33.5176.700000113.5T113 A119T113-G115 PolarHBondContact O-N 3.03Å; T113-G115 VanDerWaalsContact O-N 3.13Å; G115-A119 VanDerWaalsContact O-CB 3.26Å; G115-A119 WeakPolarHBondContact O-CB 3.3Å; G115-A119 PolarHBondContact O-N 3.31Å; G115-A119 VanDerWaalsContact O-N 3.12Å
116V96.9Very high92.1Very high0 Ų069.1 Ų69.10%033%0.333CS..Hα-helixtrans-69.3-47.1172.3174.30000109.9L33 F50 W111 I112 T113 R114 E118 A119 Y120L33-V116 HydrophobicContact CD1-CG2 3.91Å; F50-V116 HydrophobicContact CE1-CG2 4.16Å; F50-V116 HydrophobicContact CZ-CG2 3.82Å; W111-V116 HydrophobicContact CE3-CG1 4.15Å; W111-V116 HydrophobicContact CE3-CG2 4.26Å; W111-V116 HydrophobicContact CH2-CG1 4.19Å; W111-V116 HydrophobicContact CZ3-CG1 3.6Å; W111-V116 HydrophobicContact CZ3-CG2 4.26Å; I112-V116 HydrophobicContact CB-CG1 4.45Å; I112-V116 HydrophobicContact CG2-CB 4.35Å; I112-V116 HydrophobicContact CG2-CG1 3.98Å; T113-V116 WeakPolarHBondContact O-CA 3.36Å; T113-V116 WeakPolarHBondContact O-CB 3.49Å; T113-V116 PolarHBondContact O-N 3.04Å; T113-V116 PolarHBondContact OG1-N 3.46Å; R114-V116 VanDerWaalsContact C-N 3.33Å; R114-V116 PolarHBondContact O-N 2.89Å; V116-E118 PolarHBondContact O-N 3.13Å; V116-A119 PolarHBondContact O-N 2.96Å; V116-A119 VanDerWaalsContact O-N 3.13Å; V116-Y120 HydrophobicContact CG1-CD2 3.73Å; V116-Y120 HydrophobicContact CG1-CE2 3.66Å; V116-Y120 WeakPolarHBondContact O-CD2 3.49Å; V116-Y120 PolarHBondContact O-N 3Å
117V97.2Very high93Very high14 Ų1466 Ų669%0.08534%0.335CS..Hα-helixtrans-52.6-53.4175.9175.80000111I99 I112 T113 R114 A119 Y120 H121I99-V117 HydrophobicContact CG1-CG2 4.31Å; I99-V117 HydrophobicContact CG2-CG1 3.97Å; I112-V117 HydrophobicContact CG2-CG2 3.79Å; T113-V117 PolarHBondContact O-N 3.41Å; R114-V117 PolarHBondContact O-N 3.48Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.03Å; V117-Y120 PolarHBondContact O-N 3.34Å; V117-H121 VanDerWaalsContact O-CB 3.32Å; V117-H121 WeakPolarHBondContact O-CB 3.25Å; V117-H121 PolarHBondContact O-N 2.87Å
118E97.7Very high94.3Very high81 Ų8159.2 Ų59.238%0.37930%0.303SS..Hα-helixtrans-62.2-35.2-179.8-71.3173.6-163.700113.1R114 V116 R122R114-E118 IonicContact CZ-OE1 3.66Å; R114-E118 IonicContact NE-OE1 3.64Å; R114-E118 WeakPolarHBondContact O-CG 3.44Å; R114-E118 PolarHBondContact O-N 3.46Å; V116-E118 PolarHBondContact O-N 3.13Å; E118-R122 WeakPolarHBondContact O-CG 3.45Å; E118-R122 PolarHBondContact O-N 3.22Å; E118-R122 PolarHBondContact O-NE 3.25Å; E118-R122 IonicContact OE2-NH2 3.09Å
119A98.1Very high95.5Very high1 Ų149.6 Ų49.61%0.00826%0.258CS..Hα-helixtrans-72.5-41.7-179.500000112L33 L38 G115 V116 V117 R122 L123L33-A119 HydrophobicContact CB-CB 3.6Å; L33-A119 HydrophobicContact CD1-CB 4.29Å; L33-A119 WeakPolarHBondContact O-CB 3.35Å; L38-A119 HydrophobicContact CD1-CB 3.95Å; G115-A119 VanDerWaalsContact O-CB 3.26Å; G115-A119 WeakPolarHBondContact O-CB 3.3Å; G115-A119 PolarHBondContact O-N 3.31Å; G115-A119 VanDerWaalsContact O-N 3.12Å; V116-A119 PolarHBondContact O-N 2.96Å; V116-A119 VanDerWaalsContact O-N 3.13Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.03Å; A119-R122 WeakPolarHBondContact O-CB 3.17Å; A119-R122 PolarHBondContact O-N 2.68Å; A119-L123 PolarHBondContact O-N 3.13Å
120Y98.6Very high96.5Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-78.6-30-179.6-78.2-113.4000111.7L38 Y42 P48 F95 I99 W111 V116 V117 R122 L123 H124 Y145 V147 E156L38-Y120 HydrophobicContact CD1-CD2 4.4Å; L38-Y120 HydrophobicContact CD1-CE2 4.29Å; L38-Y120 HydrophobicContact CD2-CE2 4.43Å; Y42-Y120 VanDerWaalsContact OH-CE1 3.27Å; Y42-Y120 WeakPolarHBondContact OH-CE1 3.33Å; Y42-Y120 VanDerWaalsContact OH-CZ 3.31Å; Y42-Y120 PolarHBondContact OH-OH 2.91Å; P48-Y120 HydrophobicContact CG-CE2 4.5Å; P48-Y120 WeakPolarHBondContact CG-OH 3.49Å; F95-Y120 WeakPolarHBondContact CE1-O 3.48Å; I99-Y120 HydrophobicContact CD1-CG 4.16Å; W111-Y120 WeakPolarHBondContact CH2-OH 3.48Å; V116-Y120 HydrophobicContact CG1-CD2 3.73Å; V116-Y120 HydrophobicContact CG1-CE2 3.66Å; V116-Y120 WeakPolarHBondContact O-CD2 3.49Å; V116-Y120 PolarHBondContact O-N 3Å; V117-Y120 PolarHBondContact O-N 3.34Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.39Å; Y120-L123 HydrophobicContact CD1-CD1 4.35Å; Y120-L123 HydrophobicContact CG-CD1 4.47Å; Y120-L123 WeakPolarHBondContact O-CB 3.28Å; Y120-L123 PolarHBondContact O-N 3.04Å; Y120-L123 VanDerWaalsContact O-N 3.16Å; Y120-H124 PolarHBondContact O-N 3.15Å; Y120-Y145 HydrophobicContact CD1-CD2 4.19Å; Y120-Y145 AromaticContact CD1-CE2 3.52Å; Y120-Y145 HydrophobicContact CD1-CE2 3.52Å; Y120-Y145 AromaticContact CE1-CE2 3.85Å; Y120-Y145 HydrophobicContact CE1-CE2 3.85Å; Y120-Y145 HydrophobicContact CG-CE2 4.27Å; Y120-V147 HydrophobicContact CD1-CG2 4.33Å; Y120-V147 HydrophobicContact CE1-CG2 4.12Å; Y120-E156 HydrophobicContact CE1-CG 3.84Å; Y120-E156 PolarHBondContact OH-OE2 3.14Å
121H98.2Very high97.1Very high69 Ų6946.1 Ų46.132%0.31923%0.228SC..Hα-helixtrans-58.3-44167-167.4-79.9000111V117 L123 H124 E125V117-H121 VanDerWaalsContact O-CB 3.32Å; V117-H121 WeakPolarHBondContact O-CB 3.25Å; V117-H121 PolarHBondContact O-N 2.87Å; H121-L123 VanDerWaalsContact C-N 3.34Å; H121-L123 PolarHBondContact O-N 3.36Å; H121-H124 WeakPolarHBondContact O-CB 3.45Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å; H121-E125 IonicContact CE1-OE1 3.47Å; H121-E125 PolarHBondContact CE1-OE1 3.06Å; H121-E125 IonicContact ND1-OE1 3.96Å; H121-E125 PolarHBondContact ND1-OE1 2.79Å; H121-E125 VanDerWaalsContact ND1-OE1 3.09Å; H121-E125 WeakPolarHBondContact O-CG 3.3Å; H121-E125 PolarHBondContact O-N 2.88Å
122R98.4Very high97.4Very high111 Ų11144.9 Ų44.942%0.41922%0.223SC..Hα-helixtrans-62.9-37.6173.6-75.7178.9-98.4-172.4-12.7112.7P35 E118 A119 Y120 H124 L126P35-R122 HydrophobicContact CG-CB 3.98Å; E118-R122 WeakPolarHBondContact O-CG 3.45Å; E118-R122 PolarHBondContact O-N 3.22Å; E118-R122 PolarHBondContact O-NE 3.25Å; E118-R122 IonicContact OE2-NH2 3.09Å; A119-R122 WeakPolarHBondContact O-CB 3.17Å; A119-R122 PolarHBondContact O-N 2.68Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.39Å; R122-H124 VanDerWaalsContact C-N 3.3Å; R122-H124 PolarHBondContact O-N 3.36Å; R122-L126 WeakPolarHBondContact O-CD1 3.26Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.36Å; R122-L126 PolarHBondContact O-N 3.16Å; R122-L126 VanDerWaalsContact O-N 3.15Å
123L98.7Very high97.6Very high0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-64.1-35.6171.9-74177.7000112.3P35 L38 L39 A119 Y120 H121 L126 G127 H128 A129 V147P35-L123 HydrophobicContact CB-CD2 3.95Å; L38-L123 HydrophobicContact CB-CD1 3.97Å; L38-L123 HydrophobicContact CB-CD2 4.41Å; L38-L123 HydrophobicContact CD1-CD1 3.69Å; L38-L123 HydrophobicContact CD1-CG 4.16Å; L38-L123 HydrophobicContact CG-CD1 4.43Å; L39-L123 HydrophobicContact CD1-CD2 4.45Å; L39-L123 HydrophobicContact CD2-CD2 4Å; L39-L123 HydrophobicContact CG-CD2 3.92Å; A119-L123 PolarHBondContact O-N 3.13Å; Y120-L123 HydrophobicContact CD1-CD1 4.35Å; Y120-L123 HydrophobicContact CG-CD1 4.47Å; Y120-L123 WeakPolarHBondContact O-CB 3.28Å; Y120-L123 PolarHBondContact O-N 3.04Å; Y120-L123 VanDerWaalsContact O-N 3.16Å; H121-L123 VanDerWaalsContact C-N 3.34Å; H121-L123 PolarHBondContact O-N 3.36Å; L123-L126 PolarHBondContact O-N 3.2Å; L123-G127 PolarHBondContact O-N 2.92Å; L123-H128 HydrophobicContact CB-CB 4.46Å; L123-H128 HydrophobicContact CD2-CB 4.32Å; L123-H128 PolarHBondContact O-N 3.26Å; L123-A129 HydrophobicContact CB-CB 3.69Å; L123-A129 PolarHBondContact O-N 2.78Å; L123-V147 HydrophobicContact CD1-CG2 4.21Å
124H98.7Very high97.9Very high43 Ų4343 Ų4320%0.19921%0.211CC..Hα-helixtrans-67.1-46.4176.6177.164.4000111.7F95 Y120 H121 R122 L126 G127 A129F95-H124 HydrophobicContact CB-CB 4.41Å; F95-H124 VanDerWaalsContact CB-CD2 3.48Å; F95-H124 WeakPolarHBondContact CB-CD2 3.43Å; F95-H124 HydrophobicContact CD1-CB 3.62Å; F95-H124 AromaticContact CD1-CG 3.81Å; F95-H124 HydrophobicContact CD2-CB 3.9Å; F95-H124 AromaticContact CD2-CG 3.7Å; F95-H124 AromaticContact CD2-ND1 3.56Å; F95-H124 HydrophobicContact CE1-CB 3.8Å; F95-H124 HydrophobicContact CE2-CB 4.06Å; F95-H124 HydrophobicContact CG-CB 3.69Å; F95-H124 AromaticContact CG-CD2 3.75Å; F95-H124 AromaticContact CG-CG 3.41Å; F95-H124 VanDerWaalsContact CG-CG 3.41Å; F95-H124 AromaticContact CG-ND1 3.68Å; F95-H124 HydrophobicContact CZ-CB 4.02Å; Y120-H124 PolarHBondContact O-N 3.15Å; H121-H124 WeakPolarHBondContact O-CB 3.45Å; H121-H124 PolarHBondContact O-N 3.43Å; H121-H124 VanDerWaalsContact O-N 3.09Å; R122-H124 VanDerWaalsContact C-N 3.3Å; R122-H124 PolarHBondContact O-N 3.36Å; H124-L126 PolarHBondContact O-N 3.31Å; H124-G127 WeakPolarHBondContact O-CA 3.44Å; H124-G127 PolarHBondContact O-N 3.25Å; H124-A129 WeakPolarHBondContact CA-O 3.21Å; H124-A129 HydrophobicContact CB-CB 4.22Å; H124-A129 PolarHBondContact ND1-O 3.35Å
125E98.2Very high98.1Very high131 Ų13134.6 Ų34.661%0.61218%0.18SC*.Hα-helixtrans-57.8-33.4174.6-71172.2164.400112.5H121 G127H121-E125 IonicContact CE1-OE1 3.47Å; H121-E125 PolarHBondContact CE1-OE1 3.06Å; H121-E125 IonicContact ND1-OE1 3.96Å; H121-E125 PolarHBondContact ND1-OE1 2.79Å; H121-E125 VanDerWaalsContact ND1-OE1 3.09Å; H121-E125 WeakPolarHBondContact O-CG 3.3Å; H121-E125 PolarHBondContact O-N 2.88Å; E125-G127 VanDerWaalsContact C-N 3.28Å
126L98.1Very high98.3Very high105 Ų10537.7 Ų37.755%0.5518%0.182SC..THydrogen-bonded Turntrans-82.3-1175.4-66.5170000113.7P35 R122 L123 H124P35-L126 HydrophobicContact CB-CD1 3.54Å; P35-L126 HydrophobicContact CG-CD1 3.86Å; R122-L126 WeakPolarHBondContact O-CD1 3.26Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.36Å; R122-L126 PolarHBondContact O-N 3.16Å; R122-L126 VanDerWaalsContact O-N 3.15Å; L123-L126 PolarHBondContact O-N 3.2Å; H124-L126 PolarHBondContact O-N 3.31Å
127G97.7Very high98.2Very high44 Ų4444.5 Ų44.545%0.45421%0.214SC..THydrogen-bonded Turntrans78.623.617700000115L123 H124 E125 H130L123-G127 PolarHBondContact O-N 2.92Å; H124-G127 WeakPolarHBondContact O-CA 3.44Å; H124-G127 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact C-N 3.28Å; G127-H130 PolarHBondContact O-CE1 2.87Å; G127-H130 VanDerWaalsContact O-CE1 3.31Å; G127-H130 PolarHBondContact O-NE2 2.76Å
128H98.1Very high98.1Very high67 Ų6751 Ų5131%0.3125%0.247SC..  trans-108.3-32.6-179.4-63.2-62.2000114.2L39 L123 V147 A148L39-H128 HydrophobicContact CD2-CB 3.85Å; L123-H128 HydrophobicContact CB-CB 4.46Å; L123-H128 HydrophobicContact CD2-CB 4.32Å; L123-H128 PolarHBondContact O-N 3.26Å; H128-V147 WeakPolarHBondContact O-CA 2.98Å; H128-A148 PolarHBondContact O-N 3.31Å
129A98.7Very high98.1Very high0 Ų052.9 Ų52.90%026%0.256CS..EExtended strand (participates in β ladder)trans-101.5139.7175.400000110.4F95 L123 H124 G146 V147F95-A129 HydrophobicContact CE2-CB 3.66Å; F95-A129 HydrophobicContact CZ-CB 3.67Å; L123-A129 HydrophobicContact CB-CB 3.69Å; L123-A129 PolarHBondContact O-N 2.78Å; H124-A129 WeakPolarHBondContact CA-O 3.21Å; H124-A129 HydrophobicContact CB-CB 4.22Å; H124-A129 PolarHBondContact ND1-O 3.35Å; A129-G146 CarbonylContact C-O 3.52Å; A129-G146 VanDerWaalsContact CA-O 3.28Å; A129-G146 WeakPolarHBondContact CA-O 3.35Å; A129-V147 HydrophobicContact CB-CG2 4.31Å
130H98.9Very high98.1Very high4 Ų453.1 Ų53.12%0.01926%0.257CS..EExtended strand (participates in β ladder)trans-136.4148-173.7-54.8-64000111.4N92 G127 Y145 G146 F153 W224N92-H130 PolarHBondContact ND2-ND1 3.37Å; N92-H130 WeakPolarHBondContact OD1-CA 3.45Å; N92-H130 WeakPolarHBondContact OD1-CB 3.37Å; G127-H130 PolarHBondContact O-CE1 2.87Å; G127-H130 VanDerWaalsContact O-CE1 3.31Å; G127-H130 PolarHBondContact O-NE2 2.76Å; H130-Y145 CarbonylContact O-C 3.6Å; H130-Y145 WeakPolarHBondContact O-CA 3.35Å; H130-Y145 WeakPolarHBondContact O-CB 3.46Å; H130-G146 PolarHBondContact N-O 3.27Å; H130-G146 PolarHBondContact O-N 3.16Å; H130-F153 HydrophobicContact CB-CE2 4.38Å; H130-W224 HydrophobicContact CB-CD2 4.39Å; H130-W224 HydrophobicContact CB-CE3 3.59Å; H130-W224 HydrophobicContact CB-CH2 4.4Å; H130-W224 HydrophobicContact CB-CZ3 3.59Å; H130-W224 AromaticContact CD2-CD2 3.31Å; H130-W224 AromaticContact CD2-CE2 3.55Å; H130-W224 AromaticContact CD2-CE3 3.39Å; H130-W224 AromaticContact CD2-CG 3.85Å; H130-W224 AromaticContact CD2-CH2 3.93Å; H130-W224 AromaticContact CD2-CZ2 3.87Å; H130-W224 AromaticContact CD2-CZ3 3.7Å; H130-W224 VanDerWaalsContact CE1-CB 3.45Å; H130-W224 WeakPolarHBondContact CE1-CB 3.5Å; H130-W224 AromaticContact CE1-CD2 3.75Å; H130-W224 AromaticContact CE1-CG 3.46Å; H130-W224 VanDerWaalsContact CE1-CG 3.46Å; H130-W224 AromaticContact CG-CD2 3.58Å; H130-W224 AromaticContact CG-CE3 3.25Å; H130-W224 AromaticContact CG-CZ3 3.67Å; H130-W224 AromaticContact ND1-CD2 3.85Å; H130-W224 AromaticContact ND1-CE3 3.77Å; H130-W224 AromaticContact ND1-CG 3.9Å; H130-W224 AromaticContact NE2-CD1 3.64Å; H130-W224 AromaticContact NE2-CD2 3.42Å; H130-W224 AromaticContact NE2-CE2 3.68Å; H130-W224 AromaticContact NE2-CE3 3.96Å; H130-W224 AromaticContact NE2-CG 3.41Å; H130-W224 AromaticContact NE2-NE1 3.79Å
131S98.8Very high98.1Very high0 Ų053.1 Ų53.10%026%0.258CS..EExtended strand (participates in β ladder)trans-117.8148.5179.148.30000111.1M91 N92 F95 E133 M144M91-S131 VanDerWaalsContact CA-O 3.32Å; M91-S131 WeakPolarHBondContact CA-O 3.36Å; N92-S131 PolarHBondContact N-O 3.42Å; N92-S131 PolarHBondContact OD1-N 3.12Å; F95-S131 WeakPolarHBondContact CA-OG 3.35Å; F95-S131 WeakPolarHBondContact CB-OG 3.32Å; F95-S131 PolarHBondContact N-OG 3.47Å; S131-E133 VanDerWaalsContact CB-OE1 3.29Å; S131-E133 WeakPolarHBondContact CB-OE1 3.27Å; S131-E133 PolarHBondContact OG-OE1 2.77Å; S131-M144 CarbonylContact C-O 3.56Å; S131-M144 WeakPolarHBondContact CA-O 3.43Å
132I98.9Very high98.1Very high1 Ų149.9 Ų49.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-120.4121.5168.7-50.8-65000106.3V89 T90 M91 G143 M144 A169 F173 L229V89-I132 HydrophobicContact CG1-CG2 3.52Å; T90-I132 WeakPolarHBondContact O-CA 3.46Å; M91-I132 HydrophobicContact CB-CD1 4.13Å; M91-I132 HydrophobicContact CE-CD1 3.8Å; M91-I132 HydrophobicContact CG-CD1 3.94Å; I132-G143 CarbonylContact O-C 3.56Å; I132-G143 WeakPolarHBondContact O-CA 3.5Å; I132-M144 HydrophobicContact CB-CG 3.89Å; I132-M144 HydrophobicContact CG1-CG 4.13Å; I132-M144 PolarHBondContact N-O 3.02Å; I132-M144 PolarHBondContact O-N 3.04Å; I132-A169 HydrophobicContact CG2-CB 4.07Å; I132-F173 HydrophobicContact CD1-CB 4.25Å; I132-F173 HydrophobicContact CD1-CD2 3.56Å; I132-F173 HydrophobicContact CD1-CE2 4.28Å; I132-F173 HydrophobicContact CD1-CG 4.15Å; I132-F173 HydrophobicContact CG1-CB 3.99Å; I132-F173 HydrophobicContact CG1-CD2 3.88Å; I132-F173 HydrophobicContact CG1-CG 3.99Å; I132-F173 HydrophobicContact CG2-CB 4.46Å; I132-L229 HydrophobicContact CD1-CD1 4Å
133E98.8Very high98.1Very high0 Ų044.6 Ų44.60%022%0.223CC..EExtended strand (participates in β ladder)trans-115.9133.1-169.2-52.4102.1-176.100110.3V89 T90 M91 N92 Y93 A94 V98 S131 W135 L140V89-E133 CarbonylContact C-O 3.58Å; V89-E133 VanDerWaalsContact CA-O 3.23Å; V89-E133 WeakPolarHBondContact CA-O 3.35Å; T90-E133 WeakPolarHBondContact CB-OE2 3.45Å; T90-E133 PolarHBondContact N-O 3.24Å; T90-E133 PolarHBondContact O-N 2.73Å; T90-E133 VanDerWaalsContact O-OE2 3.04Å; T90-E133 PolarHBondContact OG1-OE2 3.14Å; M91-E133 WeakPolarHBondContact CA-OE2 3.23Å; M91-E133 PolarHBondContact N-OE2 2.83Å; N92-E133 WeakPolarHBondContact CA-OE1 3.12Å; N92-E133 PolarHBondContact N-OE1 2.88Å; N92-E133 VanDerWaalsContact N-OE1 3.08Å; N92-E133 PolarHBondContact N-OE2 2.84Å; Y93-E133 PolarHBondContact N-OE1 2.9Å; Y93-E133 PolarHBondContact N-OE2 2.71Å; A94-E133 HydrophobicContact CB-CG 4.15Å; A94-E133 PolarHBondContact N-OE1 3.24Å; V98-E133 HydrophobicContact CG2-CB 4.31Å; V98-E133 HydrophobicContact CG2-CG 3.53Å; S131-E133 VanDerWaalsContact CB-OE1 3.29Å; S131-E133 WeakPolarHBondContact CB-OE1 3.27Å; S131-E133 PolarHBondContact OG-OE1 2.77Å; E133-W135 HydrophobicContact CB-CZ2 4.01Å; E133-W135 HydrophobicContact CG-CZ2 4.43Å; E133-L140 HydrophobicContact CB-CD1 3.66Å; E133-L140 HydrophobicContact CG-CD1 4.35Å
134V98.8Very high98Very high0 Ų044.8 Ų44.80%022%0.224CC..EExtended strand (participates in β ladder)trans-113.6117.9-179.7-175.10000108.9Y87 V89 V141 G142 A165 A169Y87-V134 HydrophobicContact CD1-CG1 4.13Å; Y87-V134 HydrophobicContact CD2-CG1 3.71Å; Y87-V134 HydrophobicContact CE2-CG1 4.42Å; Y87-V134 HydrophobicContact CG-CG1 3.55Å; V89-V134 HydrophobicContact CG1-CG2 4.49Å; V89-V134 HydrophobicContact CG2-CG2 4.22Å; V134-V141 HydrophobicContact CG1-CG2 4.27Å; V134-V141 WeakPolarHBondContact O-CG2 3.3Å; V134-V141 PolarHBondContact O-N 3.02Å; V134-G142 PolarHBondContact N-O 3.04Å; V134-G142 PolarHBondContact O-N 3.32Å; V134-A165 HydrophobicContact CB-CB 4.45Å; V134-A165 HydrophobicContact CG1-CB 4.08Å; V134-A165 WeakPolarHBondContact CG2-O 3.37Å; V134-A169 HydrophobicContact CG2-CB 3.52Å
135W98.7Very high98Very high23 Ų2342.7 Ų42.79%0.08721%0.214CC..EExtended strand (participates in β ladder)trans-111136.3-173.9-52.786.2000110.8Y87 R88 T90 A94 E133 E139 L140Y87-W135 CarbonylContact C-O 3.57Å; Y87-W135 VanDerWaalsContact CA-O 3.22Å; Y87-W135 WeakPolarHBondContact CA-O 3.47Å; R88-W135 HydrophobicContact CB-CB 4.36Å; R88-W135 PolarHBondContact N-O 3.27Å; R88-W135 PolarHBondContact O-N 2.93Å; T90-W135 PolarHBondContact OG1-NE1 2.66Å; A94-W135 HydrophobicContact CB-CH2 3.81Å; A94-W135 HydrophobicContact CB-CZ2 3.71Å; E133-W135 HydrophobicContact CB-CZ2 4.01Å; E133-W135 HydrophobicContact CG-CZ2 4.43Å; W135-E139 CarbonylContact C-O 3.55Å; W135-E139 VanDerWaalsContact CA-O 3.23Å; W135-E139 WeakPolarHBondContact CA-O 3.1Å; W135-L140 HydrophobicContact CD2-CD1 4.15Å; W135-L140 HydrophobicContact CE3-CB 3.98Å; W135-L140 HydrophobicContact CE3-CD1 4.35Å; W135-L140 HydrophobicContact CH2-CB 4.16Å; W135-L140 HydrophobicContact CH2-CD1 4.22Å; W135-L140 HydrophobicContact CZ2-CD1 4.02Å; W135-L140 HydrophobicContact CZ3-CB 3.74Å; W135-L140 HydrophobicContact CZ3-CD1 4.38Å
136R97.7Very high98.1Very high97 Ų9736.5 Ų36.537%0.36619%0.185SC..EExtended strand (participates in β ladder)trans-105.9108.7160.1179.863.5173.5157.32.7106.1P86 Y87 D138 E139 V141 M162P86-R136 WeakPolarHBondContact O-CD 3.45Å; P86-R136 PolarHBondContact O-NH1 3.29Å; P86-R136 VanDerWaalsContact O-NH1 3.1Å; Y87-R136 HydrophobicContact CD1-CB 4.23Å; Y87-R136 HydrophobicContact CE1-CB 4.29Å; R136-D138 PolarHBondContact O-N 3.34Å; R136-D138 VanDerWaalsContact O-N 3.11Å; R136-E139 PolarHBondContact N-O 2.86Å; R136-E139 PolarHBondContact O-N 3.19Å; R136-V141 HydrophobicContact CB-CG1 3.84Å; R136-V141 HydrophobicContact CB-CG2 4.02Å; R136-M162 HydrophobicContact CB-SD 3.84Å; R136-M162 HydrophobicContact CG-CE 4.33Å; R136-M162 HydrophobicContact CG-SD 4Å
137E94.5Very high98.1Very high144 Ų14431.5 Ų31.567%0.67316%0.159SC*.THydrogen-bonded Turntrans56.9-114.6-170.1-57.5169.2-165.100109.8R88R88-E137 PolarHBondContact NH2-O 3Å
138D95.5Very high98.1Very high149 Ų14930 Ų3080%0.79714%0.142SC*.THydrogen-bonded Turntrans-101-1.8178.7-65-38.9000113.6R136R136-D138 PolarHBondContact O-N 3.34Å; R136-D138 VanDerWaalsContact O-N 3.11Å
139E97.9Very high98.1Very high121 Ų12127.4 Ų27.457%0.56513%0.13SC*.EExtended strand (participates in β ladder)trans-92.4131.6-179.4-169.6-177.8174.800111.7W135 R136 V141W135-E139 CarbonylContact C-O 3.55Å; W135-E139 VanDerWaalsContact CA-O 3.23Å; W135-E139 WeakPolarHBondContact CA-O 3.1Å; R136-E139 PolarHBondContact N-O 2.86Å; R136-E139 PolarHBondContact O-N 3.19Å; E139-V141 HydrophobicContact CB-CG1 4.16Å; E139-V141 HydrophobicContact CG-CG1 3.95Å; E139-V141 PolarHBondContact O-N 3.06Å
140L98.4Very high98.1Very high6 Ų628.5 Ų28.53%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-79.4107.3172.2-175.869.6000110.5Q97 V98 E133 W135 G142 F159 R161Q97-L140 HydrophobicContact CB-CD2 3.5Å; V98-L140 HydrophobicContact CG2-CD2 4.17Å; E133-L140 HydrophobicContact CB-CD1 3.66Å; E133-L140 HydrophobicContact CG-CD1 4.35Å; W135-L140 HydrophobicContact CD2-CD1 4.15Å; W135-L140 HydrophobicContact CE3-CB 3.98Å; W135-L140 HydrophobicContact CE3-CD1 4.35Å; W135-L140 HydrophobicContact CH2-CB 4.16Å; W135-L140 HydrophobicContact CH2-CD1 4.22Å; W135-L140 HydrophobicContact CZ2-CD1 4.02Å; W135-L140 HydrophobicContact CZ3-CB 3.74Å; W135-L140 HydrophobicContact CZ3-CD1 4.38Å; L140-G142 WeakPolarHBondContact CD1-O 3.38Å; L140-F159 HydrophobicContact CD2-CZ 3.92Å; L140-F159 HydrophobicContact CG-CZ 3.99Å; L140-R161 PolarHBondContact O-NH1 2.8Å
141V98.1Very high98.1Very high1 Ų129.1 Ų29.11%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-1100.7-170.4-61.50000114Y87 V134 R136 E139 R161 M162 A165Y87-V141 HydrophobicContact CD1-CG2 4.02Å; Y87-V141 HydrophobicContact CE1-CG2 3.84Å; V134-V141 HydrophobicContact CG1-CG2 4.27Å; V134-V141 WeakPolarHBondContact O-CG2 3.3Å; V134-V141 PolarHBondContact O-N 3.02Å; R136-V141 HydrophobicContact CB-CG1 3.84Å; R136-V141 HydrophobicContact CB-CG2 4.02Å; E139-V141 HydrophobicContact CB-CG1 4.16Å; E139-V141 HydrophobicContact CG-CG1 3.95Å; E139-V141 PolarHBondContact O-N 3.06Å; V141-R161 WeakPolarHBondContact O-CA 3.44Å; V141-R161 WeakPolarHBondContact O-CB 3.4Å; V141-R161 PolarHBondContact O-N 3.36Å; V141-M162 HydrophobicContact CB-CB 4.03Å; V141-M162 HydrophobicContact CB-CG 3.76Å; V141-M162 HydrophobicContact CB-SD 3.83Å; V141-M162 HydrophobicContact CG1-CG 3.88Å; V141-M162 HydrophobicContact CG1-SD 3.51Å; V141-M162 VanDerWaalsContact CG1-SD 3.51Å; V141-M162 HydrophobicContact CG2-CB 4.31Å; V141-M162 HydrophobicContact CG2-CG 4.37Å; V141-M162 HydrophobicContact CG2-SD 4.08Å; V141-M162 PolarHBondContact O-N 2.91Å; V141-A165 HydrophobicContact CG2-CB 4.25Å; V141-A165 VanDerWaalsContact O-CB 3.27Å; V141-A165 WeakPolarHBondContact O-CB 3.33Å
142G98.1Very high98.1Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans175.2173.6172.900000111.1V134 L140 F159V134-G142 PolarHBondContact N-O 3.04Å; V134-G142 PolarHBondContact O-N 3.32Å; L140-G142 WeakPolarHBondContact CD1-O 3.38Å; G142-F159 VanDerWaalsContact CA-O 3.29Å; G142-F159 WeakPolarHBondContact CA-O 3.24Å
143G98.3Very high98.1Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans168.8177.1177.500000112.6I132 M158 F159I132-G143 CarbonylContact O-C 3.56Å; I132-G143 WeakPolarHBondContact O-CA 3.5Å; G143-M158 CarbonylContact O-C 3.59Å; G143-M158 WeakPolarHBondContact O-CA 3.24Å; G143-M158 WeakPolarHBondContact O-CB 3.44Å; G143-F159 PolarHBondContact N-O 2.92Å; G143-F159 VanDerWaalsContact N-O 3.1Å; G143-F159 PolarHBondContact O-N 3.24Å
144M98.4Very high98.1Very high4 Ų429.1 Ų29.12%0.0215%0.145CC..EExtended strand (participates in β ladder)trans-144.7154.3174.161.8178.3-77.600110.3S131 I132 F153 S157 M158 A169 L170 F173S131-M144 CarbonylContact C-O 3.56Å; S131-M144 WeakPolarHBondContact CA-O 3.43Å; I132-M144 HydrophobicContact CB-CG 3.89Å; I132-M144 HydrophobicContact CG1-CG 4.13Å; I132-M144 PolarHBondContact N-O 3.02Å; I132-M144 PolarHBondContact O-N 3.04Å; M144-F153 HydrophobicContact CE-CD1 4.44Å; M144-F153 HydrophobicContact CE-CE1 3.76Å; M144-S157 VanDerWaalsContact CA-O 3.28Å; M144-S157 WeakPolarHBondContact CA-O 3.41Å; M144-S157 WeakPolarHBondContact CB-O 3.26Å; M144-M158 HydrophobicContact CB-CB 3.7Å; M144-A169 HydrophobicContact CG-CB 4.15Å; M144-L170 HydrophobicContact CE-CD1 4.25Å; M144-L170 HydrophobicContact SD-CB 4.18Å; M144-L170 HydrophobicContact SD-CD1 4.01Å; M144-F173 HydrophobicContact CE-CD1 4.14Å; M144-F173 HydrophobicContact SD-CD1 4.49Å
145Y98.7Very high98Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-133.6161.9170.879.4-85.9000111.3F95 V98 I99 C102 I112 Y120 H130 E156 S157F95-Y145 HydrophobicContact CE2-CD2 4.24Å; F95-Y145 HydrophobicContact CE2-CG 4.41Å; F95-Y145 HydrophobicContact CZ-CD2 4.06Å; F95-Y145 HydrophobicContact CZ-CG 4.47Å; V98-Y145 HydrophobicContact CG1-CD1 4.32Å; I99-Y145 HydrophobicContact CB-CD1 4.29Å; I99-Y145 HydrophobicContact CB-CE1 4.24Å; I99-Y145 HydrophobicContact CD1-CD2 4.47Å; I99-Y145 HydrophobicContact CD1-CE1 4.2Å; I99-Y145 HydrophobicContact CD1-CE2 3.92Å; I99-Y145 HydrophobicContact CG1-CD1 4.3Å; I99-Y145 HydrophobicContact CG1-CE1 3.77Å; I99-Y145 HydrophobicContact CG1-CE2 4.4Å; C102-Y145 HydrophobicContact CB-CD1 4.41Å; C102-Y145 HydrophobicContact CB-CE1 3.94Å; I112-Y145 HydrophobicContact CD1-CE1 4.04Å; I112-Y145 WeakPolarHBondContact CD1-OH 3.15Å; Y120-Y145 HydrophobicContact CD1-CD2 4.19Å; Y120-Y145 AromaticContact CD1-CE2 3.52Å; Y120-Y145 HydrophobicContact CD1-CE2 3.52Å; Y120-Y145 AromaticContact CE1-CE2 3.85Å; Y120-Y145 HydrophobicContact CE1-CE2 3.85Å; Y120-Y145 HydrophobicContact CG-CE2 4.27Å; H130-Y145 CarbonylContact O-C 3.6Å; H130-Y145 WeakPolarHBondContact O-CA 3.35Å; H130-Y145 WeakPolarHBondContact O-CB 3.46Å; Y145-E156 HydrophobicContact CD2-CB 3.91Å; Y145-E156 HydrophobicContact CD2-CG 4.26Å; Y145-E156 HydrophobicContact CE1-CB 4.33Å; Y145-E156 HydrophobicContact CE2-CB 3.38Å; Y145-E156 HydrophobicContact CE2-CG 3.82Å; Y145-E156 PolarHBondContact O-N 3.19Å; Y145-S157 PolarHBondContact N-O 3.04Å
146G98.6Very high97.9Very high0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-172-177.8177.900000113.1A129 H130 C154A129-G146 CarbonylContact C-O 3.52Å; A129-G146 VanDerWaalsContact CA-O 3.28Å; A129-G146 WeakPolarHBondContact CA-O 3.35Å; H130-G146 PolarHBondContact N-O 3.27Å; H130-G146 PolarHBondContact O-N 3.16Å; G146-C154 CarbonylContact C-O 3.58Å; G146-C154 WeakPolarHBondContact CA-O 3.39Å
147V98.8Very high97.8Very high0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans-115.5126.7-175.9-176.80000110.1Y42 Y120 L123 H128 A129 C154Y42-V147 HydrophobicContact CD2-CB 4.19Å; Y42-V147 HydrophobicContact CD2-CG1 3.88Å; Y42-V147 HydrophobicContact CD2-CG2 4.22Å; Y42-V147 HydrophobicContact CE2-CB 4.04Å; Y42-V147 HydrophobicContact CE2-CG1 4.13Å; Y42-V147 HydrophobicContact CE2-CG2 3.61Å; Y42-V147 HydrophobicContact CG-CG1 4.34Å; Y120-V147 HydrophobicContact CD1-CG2 4.33Å; Y120-V147 HydrophobicContact CE1-CG2 4.12Å; L123-V147 HydrophobicContact CD1-CG2 4.21Å; H128-V147 WeakPolarHBondContact O-CA 2.98Å; A129-V147 HydrophobicContact CB-CG2 4.31Å; V147-C154 HydrophobicContact CB-CB 4.41Å; V147-C154 PolarHBondContact N-O 2.9Å; V147-C154 PolarHBondContact O-N 3.15Å
148A98.4Very high97.9Very high12 Ų1220.5 Ų20.510%0.09912%0.116CC..EExtended strand (participates in β ladder)trans-76.2133.6178.700000111.7H128 W224H128-A148 PolarHBondContact O-N 3.31Å; A148-W224 HydrophobicContact CB-CZ2 3.65Å
149Q98.2Very high97.9Very high14 Ų1414 Ų147%0.0658%0.08CC..EExtended strand (participates in β ladder)trans-131.475.5171.1-68.4-66.826.400110.2Y42 Q43 T151 L152 L211 R215Y42-Q149 VanDerWaalsContact C-NE2 3.28Å; Q43-Q149 VanDerWaalsContact N-NE2 3.13Å; Q149-T151 PolarHBondContact O-N 3.13Å; Q149-L152 CarbonylContact C-O 3.56Å; Q149-L152 WeakPolarHBondContact CA-O 3.1Å; Q149-L152 HydrophobicContact CB-CB 4.41Å; Q149-L152 HydrophobicContact CB-CD2 4.12Å; Q149-L152 PolarHBondContact N-O 3.19Å; Q149-L152 WeakPolarHBondContact O-CB 3.32Å; Q149-L152 PolarHBondContact O-N 2.96Å; Q149-L211 HydrophobicContact CB-CD1 4.19Å; Q149-L211 HydrophobicContact CG-CD1 4.43Å; Q149-R215 HydrophobicContact CB-CB 4.46Å; Q149-R215 WeakPolarHBondContact O-CA 3.38Å
150G97.9Very high97.8Very high22 Ų2210.8 Ų10.823%0.2277%0.072CC..THydrogen-bonded Turntrans64.9-115.6-176.900000111.4L152 M214 G217G150-L152 VanDerWaalsContact C-N 3.35Å; G150-M214 WeakPolarHBondContact CA-O 3.13Å; G150-G217 CarbonylContact C-O 3.41Å; G150-G217 WeakPolarHBondContact CA-O 3.4Å
151T98.6Very high97.7Very high17 Ų1716.1 Ų16.110%0.1049%0.091CC..THydrogen-bonded Turntrans-93.410.7174.4570000113.6Q149 F177 G181 K183 M214 L219Q149-T151 PolarHBondContact O-N 3.13Å; T151-F177 WeakPolarHBondContact O-CZ 3.4Å; T151-G181 WeakPolarHBondContact CG2-O 3.23Å; T151-K183 PolarHBondContact O-N 3.37Å; T151-M214 PolarHBondContact N-O 3.38Å; T151-M214 WeakPolarHBondContact OG1-CB 3.2Å; T151-M214 PolarHBondContact OG1-O 3.24Å; T151-L219 HydrophobicContact CG2-CD2 4.17Å
152L98.8Very high97.7Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-109.4143.2169.5-177.6155.6000109.7Q149 G150 C154 L184 D186 Y207 L211 M214Q149-L152 CarbonylContact C-O 3.56Å; Q149-L152 WeakPolarHBondContact CA-O 3.1Å; Q149-L152 HydrophobicContact CB-CB 4.41Å; Q149-L152 HydrophobicContact CB-CD2 4.12Å; Q149-L152 PolarHBondContact N-O 3.19Å; Q149-L152 WeakPolarHBondContact O-CB 3.32Å; Q149-L152 PolarHBondContact O-N 2.96Å; G150-L152 VanDerWaalsContact C-N 3.35Å; L152-C154 VanDerWaalsContact CD2-SG 3.59Å; L152-L184 CarbonylContact C-O 3.52Å; L152-L184 VanDerWaalsContact CA-O 3.32Å; L152-L184 WeakPolarHBondContact CA-O 3.31Å; L152-L184 HydrophobicContact CD1-CB 4.33Å; L152-L184 HydrophobicContact CD1-CD2 3.8Å; L152-L184 HydrophobicContact CD1-CG 4.48Å; L152-L184 HydrophobicContact CG-CB 4.24Å; L152-L184 HydrophobicContact CG-CD2 4.48Å; L152-D186 HydrophobicContact CD2-CB 4.2Å; L152-Y207 HydrophobicContact CD1-CE2 4.06Å; L152-L211 HydrophobicContact CD1-CB 4.33Å; L152-L211 HydrophobicContact CD1-CD1 4.07Å; L152-L211 HydrophobicContact CD2-CD1 4.32Å; L152-M214 HydrophobicContact CB-CB 3.91Å; L152-M214 HydrophobicContact CB-SD 4.31Å; L152-M214 HydrophobicContact CD1-SD 4.34Å
153F98.7Very high97.6Very high1 Ų125.9 Ų25.90%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-122.8118.8175.1-175.3-102.5000110.9H130 M144 G155 F173 F177 L184 I185 D186 W224H130-F153 HydrophobicContact CB-CE2 4.38Å; M144-F153 HydrophobicContact CE-CD1 4.44Å; M144-F153 HydrophobicContact CE-CE1 3.76Å; F153-G155 PolarHBondContact O-N 3.12Å; F153-F173 HydrophobicContact CB-CE1 4.26Å; F153-F173 HydrophobicContact CB-CZ 4.11Å; F153-F173 AromaticContact CD1-CE1 3.55Å; F153-F173 HydrophobicContact CD1-CE1 3.55Å; F153-F173 AromaticContact CD1-CZ 3.81Å; F153-F173 HydrophobicContact CD1-CZ 3.81Å; F153-F173 AromaticContact CD2-CZ 3.95Å; F153-F173 HydrophobicContact CD2-CZ 3.95Å; F153-F173 AromaticContact CE1-CE1 3.94Å; F153-F173 HydrophobicContact CE1-CE1 3.94Å; F153-F173 HydrophobicContact CE1-CZ 4.14Å; F153-F173 HydrophobicContact CE2-CZ 4.27Å; F153-F173 AromaticContact CG-CE1 3.87Å; F153-F173 HydrophobicContact CG-CE1 3.87Å; F153-F173 AromaticContact CG-CZ 3.68Å; F153-F173 HydrophobicContact CG-CZ 3.68Å; F153-F173 HydrophobicContact CZ-CZ 4.33Å; F153-F177 HydrophobicContact CB-CE1 4.32Å; F153-F177 HydrophobicContact CB-CE2 4.39Å; F153-F177 HydrophobicContact CB-CZ 3.92Å; F153-L184 PolarHBondContact N-O 3Å; F153-I185 HydrophobicContact CB-CG1 4.43Å; F153-I185 CarbonylContact O-C 3.36Å; F153-I185 VanDerWaalsContact O-CA 3.26Å; F153-I185 WeakPolarHBondContact O-CA 3.42Å; F153-D186 PolarHBondContact O-N 3.48Å; F153-W224 AromaticContact CD2-CH2 3.64Å; F153-W224 HydrophobicContact CD2-CH2 3.64Å; F153-W224 HydrophobicContact CD2-CZ2 4.21Å; F153-W224 AromaticContact CE2-CH2 3.76Å; F153-W224 HydrophobicContact CE2-CH2 3.76Å; F153-W224 HydrophobicContact CE2-CZ3 4.26Å
154C98.7Very high97.5Very high0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-80.1100.8173.9-66.80000109.3Y42 G146 V147 L152 D186Y42-C154 HydrophobicContact CD1-CB 3.99Å; Y42-C154 HydrophobicContact CE1-CB 3.95Å; G146-C154 CarbonylContact C-O 3.58Å; G146-C154 WeakPolarHBondContact CA-O 3.39Å; V147-C154 HydrophobicContact CB-CB 4.41Å; V147-C154 PolarHBondContact N-O 2.9Å; V147-C154 PolarHBondContact O-N 3.15Å; L152-C154 VanDerWaalsContact CD2-SG 3.59Å; C154-D186 PolarHBondContact SG-OD2 3.17Å
155G97.8Very high97.4Very high16 Ų1627 Ų2717%0.16514%0.144CC..EExtended strand (participates in β ladder)trans-76.7119.9177.300000110.5F153 D186F153-G155 PolarHBondContact O-N 3.12Å; G155-D186 PolarHBondContact N-O 3.44Å
156E96.6Very high97.3Very high14 Ų1427.6 Ų27.67%0.06515%0.148CC..EExtended strand (participates in β ladder)trans-97.8-49.1-170.6-66.2-70.2130.700112.1Y42 W111 Y120 Y145 Q188Y42-E156 WeakPolarHBondContact CE1-OE1 3.18Å; Y42-E156 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E156 PolarHBondContact OH-OE1 2.99Å; Y42-E156 PolarHBondContact OH-OE2 3.01Å; W111-E156 WeakPolarHBondContact CH2-OE2 3.36Å; W111-E156 HydrophobicContact CZ2-CB 4.45Å; Y120-E156 HydrophobicContact CE1-CG 3.84Å; Y120-E156 PolarHBondContact OH-OE2 3.14Å; Y145-E156 HydrophobicContact CD2-CB 3.91Å; Y145-E156 HydrophobicContact CD2-CG 4.26Å; Y145-E156 HydrophobicContact CE1-CB 4.33Å; Y145-E156 HydrophobicContact CE2-CB 3.38Å; Y145-E156 HydrophobicContact CE2-CG 3.82Å; Y145-E156 PolarHBondContact O-N 3.19Å; E156-Q188 PolarHBondContact OE1-NE2 2.87Å
157S95.6Very high97.2Very high10 Ų1030.6 Ų30.67%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-161.1160.6178-176.50000110.9C102 R106 M144 Y145C102-S157 WeakPolarHBondContact CB-OG 3.1Å; C102-S157 PolarHBondContact SG-OG 2.96Å; R106-S157 PolarHBondContact NH2-OG 3.21Å; M144-S157 VanDerWaalsContact CA-O 3.28Å; M144-S157 WeakPolarHBondContact CA-O 3.41Å; M144-S157 WeakPolarHBondContact CB-O 3.26Å; Y145-S157 PolarHBondContact N-O 3.04Å
158M96.2Very high97.2Very high44 Ų4430.6 Ų30.622%0.21716%0.161CC..EExtended strand (participates in β ladder)trans-140.1159.6171.564.3-178.270.900110.1G143 M144G143-M158 CarbonylContact O-C 3.59Å; G143-M158 WeakPolarHBondContact O-CA 3.24Å; G143-M158 WeakPolarHBondContact O-CB 3.44Å; M144-M158 HydrophobicContact CB-CB 3.7Å
159F96.1Very high97.2Very high11 Ų1130 Ų305%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-141.9159.1174.377.3-75.3000110.4V98 D105 L140 G142 G143 R161 S166V98-F159 HydrophobicContact CB-CE1 4.36Å; V98-F159 HydrophobicContact CG1-CE1 4.19Å; V98-F159 HydrophobicContact CG2-CE1 4.33Å; D105-F159 WeakPolarHBondContact OD2-CD2 3.5Å; L140-F159 HydrophobicContact CD2-CZ 3.92Å; L140-F159 HydrophobicContact CG-CZ 3.99Å; G142-F159 VanDerWaalsContact CA-O 3.29Å; G142-F159 WeakPolarHBondContact CA-O 3.24Å; G143-F159 PolarHBondContact N-O 2.92Å; G143-F159 VanDerWaalsContact N-O 3.1Å; G143-F159 PolarHBondContact O-N 3.24Å; F159-R161 HydrophobicContact CD2-CG 4.08Å; F159-R161 HydrophobicContact CE2-CG 4.09Å; F159-S166 WeakPolarHBondContact O-CB 3.32Å
160S95.9Very high97.2Very high55 Ų5529.7 Ų29.739%0.38516%0.155SC..EExtended strand (participates in β ladder)trans-145.7121.3-179.7-154.40000109.4M162 A165 S166S160-M162 PolarHBondContact OG-O 3.3Å; S160-A165 WeakPolarHBondContact OG-CB 3.44Å; S160-A165 PolarHBondContact OG-N 2.93Å; S160-S166 PolarHBondContact OG-N 3.31Å
161R96.2Very high97.2Very high117 Ų11729.2 Ų29.244%0.44215%0.147SC..SBendtrans-103-19.7174.3-61.9173.9-178.7163.4-4.7112.3D105 L140 V141 F159D105-R161 IonicContact OD1-NH2 3.64Å; D105-R161 WeakPolarHBondContact OD2-CG 3.42Å; D105-R161 IonicContact OD2-CZ 3.46Å; D105-R161 IonicContact OD2-NE 3.78Å; D105-R161 PolarHBondContact OD2-NE 2.99Å; D105-R161 IonicContact OD2-NH2 3.26Å; D105-R161 PolarHBondContact OD2-NH2 3Å; L140-R161 PolarHBondContact O-NH1 2.8Å; V141-R161 WeakPolarHBondContact O-CA 3.44Å; V141-R161 WeakPolarHBondContact O-CB 3.4Å; V141-R161 PolarHBondContact O-N 3.36Å; F159-R161 HydrophobicContact CD2-CG 4.08Å; F159-R161 HydrophobicContact CE2-CG 4.09Å
162M97Very high97.2Very high73 Ų7328.6 Ų28.636%0.3614%0.143SC..SBendtrans-123.1165.6172.8-70.5-173.272.400112.3Y87 R136 V141 S160 N164 A165Y87-M162 HydrophobicContact CE1-CB 4.36Å; Y87-M162 HydrophobicContact CE1-CE 4.31Å; Y87-M162 HydrophobicContact CE1-SD 4.16Å; Y87-M162 VanDerWaalsContact OH-CB 3.27Å; Y87-M162 WeakPolarHBondContact OH-CB 3.28Å; R136-M162 HydrophobicContact CB-SD 3.84Å; R136-M162 HydrophobicContact CG-CE 4.33Å; R136-M162 HydrophobicContact CG-SD 4Å; V141-M162 HydrophobicContact CB-CB 4.03Å; V141-M162 HydrophobicContact CB-CG 3.76Å; V141-M162 HydrophobicContact CB-SD 3.83Å; V141-M162 HydrophobicContact CG1-CG 3.88Å; V141-M162 HydrophobicContact CG1-SD 3.51Å; V141-M162 VanDerWaalsContact CG1-SD 3.51Å; V141-M162 HydrophobicContact CG2-CB 4.31Å; V141-M162 HydrophobicContact CG2-CG 4.37Å; V141-M162 HydrophobicContact CG2-SD 4.08Å; V141-M162 PolarHBondContact O-N 2.91Å; S160-M162 PolarHBondContact OG-O 3.3Å; M162-N164 PolarHBondContact O-N 3.23Å; M162-A165 PolarHBondContact O-N 2.61Å
163E95.9Very high97.2Very high133 Ų13328.6 Ų28.662%0.62114%0.143SC*.THydrogen-bonded Turntrans-54.4128-179.4-162.2-162.4149.400111.1Y87 A165Y87-E163 WeakPolarHBondContact CE2-O 3.44Å; Y87-E163 PolarHBondContact OH-O 3.19Å; E163-A165 PolarHBondContact O-N 2.94Å
164N96.3Very high97.2Very high28 Ų2828.6 Ų28.615%0.1514%0.144CC..THydrogen-bonded Turntrans60.48.6176.3-58.6-47.9000116M78 F81 M162 S166 K167 T168M78-N164 HydrophobicContact CE-CB 4Å; M78-N164 HydrophobicContact SD-CB 3.56Å; M78-N164 VanDerWaalsContact SD-CB 3.56Å; M78-N164 VanDerWaalsContact SD-CG 3.54Å; F81-N164 HydrophobicContact CD1-CB 3.8Å; F81-N164 WeakPolarHBondContact CD2-ND2 3.46Å; F81-N164 HydrophobicContact CE1-CB 3.67Å; F81-N164 HydrophobicContact CG-CB 4.35Å; F81-N164 WeakPolarHBondContact CG-ND2 3.35Å; F81-N164 HydrophobicContact CZ-CB 4.08Å; M162-N164 PolarHBondContact O-N 3.23Å; N164-S166 PolarHBondContact O-N 3.47Å; N164-K167 PolarHBondContact O-N 2.92Å; N164-T168 PolarHBondContact O-N 2.88Å; N164-T168 PolarHBondContact O-OG1 2.87Å
165A97.3Very high97.2Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-61.2-51-174.600000112.3Y87 V134 V141 S160 M162 E163 K167 T168 A169Y87-A165 HydrophobicContact CE2-CB 4.25Å; V134-A165 HydrophobicContact CB-CB 4.45Å; V134-A165 HydrophobicContact CG1-CB 4.08Å; V134-A165 WeakPolarHBondContact CG2-O 3.37Å; V141-A165 HydrophobicContact CG2-CB 4.25Å; V141-A165 VanDerWaalsContact O-CB 3.27Å; V141-A165 WeakPolarHBondContact O-CB 3.33Å; S160-A165 WeakPolarHBondContact OG-CB 3.44Å; S160-A165 PolarHBondContact OG-N 2.93Å; M162-A165 PolarHBondContact O-N 2.61Å; E163-A165 PolarHBondContact O-N 2.94Å; A165-K167 VanDerWaalsContact C-N 3.3Å; A165-K167 PolarHBondContact O-N 3.46Å; A165-T168 WeakPolarHBondContact O-CB 3.35Å; A165-T168 PolarHBondContact O-N 3.02Å; A165-T168 VanDerWaalsContact O-N 3.14Å; A165-A169 PolarHBondContact O-N 2.99Å
166S96.1Very high97.2Very high12 Ų1235.4 Ų35.48%0.08417%0.171CC..Hα-helixtrans-61.5-36.6176.562.60000113.2F159 S160 N164 A169 L170F159-S166 WeakPolarHBondContact O-CB 3.32Å; S160-S166 PolarHBondContact OG-N 3.31Å; N164-S166 PolarHBondContact O-N 3.47Å; S166-A169 WeakPolarHBondContact O-CB 3.47Å; S166-A169 PolarHBondContact O-N 3.12Å; S166-L170 PolarHBondContact O-N 3.42Å
167K96.9Very high97.3Very high64 Ų6434.7 Ų34.728%0.27817%0.168SC..Hα-helixtrans-67.1-36.6175.9-66.2-179.1-178170.70111.9M78 N164 A165 L171 L197M78-K167 HydrophobicContact CE-CB 3.6Å; M78-K167 HydrophobicContact SD-CB 4.05Å; M78-K167 HydrophobicContact SD-CD 4.38Å; N164-K167 PolarHBondContact O-N 2.92Å; A165-K167 VanDerWaalsContact C-N 3.3Å; A165-K167 PolarHBondContact O-N 3.46Å; K167-L171 VanDerWaalsContact O-CB 3.24Å; K167-L171 WeakPolarHBondContact O-CB 3.19Å; K167-L171 PolarHBondContact O-N 2.86Å; K167-L197 HydrophobicContact CG-CD2 4.3Å
168T97.9Very high97.4Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-65.5-40.6172.8-67.30000110.8M78 Y87 V89 N164 A165 L171 V172M78-T168 WeakPolarHBondContact CE-OG1 3.24Å; Y87-T168 HydrophobicContact CD2-CG2 4.2Å; V89-T168 HydrophobicContact CG2-CG2 3.77Å; N164-T168 PolarHBondContact O-N 2.88Å; N164-T168 PolarHBondContact O-OG1 2.87Å; A165-T168 WeakPolarHBondContact O-CB 3.35Å; A165-T168 PolarHBondContact O-N 3.02Å; A165-T168 VanDerWaalsContact O-N 3.14Å; T168-L171 PolarHBondContact O-N 2.82Å; T168-V172 HydrophobicContact CG2-CG2 4.26Å; T168-V172 WeakPolarHBondContact O-CB 3.37Å; T168-V172 WeakPolarHBondContact O-CG2 3.15Å; T168-V172 PolarHBondContact O-N 2.83Å
169A98.4Very high97.5Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-57-52.2174.400000111.2I132 V134 M144 A165 S166 F173I132-A169 HydrophobicContact CG2-CB 4.07Å; V134-A169 HydrophobicContact CG2-CB 3.52Å; M144-A169 HydrophobicContact CG-CB 4.15Å; A165-A169 PolarHBondContact O-N 2.99Å; S166-A169 WeakPolarHBondContact O-CB 3.47Å; S166-A169 PolarHBondContact O-N 3.12Å; A169-F173 WeakPolarHBondContact O-CB 3.26Å; A169-F173 PolarHBondContact O-N 2.84Å
170L98.4Very high97.6Very high6 Ų641 Ų413%0.03121%0.213CC..Hα-helixtrans-64.4-42.9-179.3-177.862.9000112.3L67 L72 M144 S166 F173 C174 I185 L197L67-L170 HydrophobicContact CD2-CD1 4.18Å; L67-L170 HydrophobicContact CD2-CD2 4.13Å; L72-L170 HydrophobicContact CD1-CD2 3.68Å; L72-L170 HydrophobicContact CD1-CG 4.02Å; M144-L170 HydrophobicContact CE-CD1 4.25Å; M144-L170 HydrophobicContact SD-CB 4.18Å; M144-L170 HydrophobicContact SD-CD1 4.01Å; S166-L170 PolarHBondContact O-N 3.42Å; L170-F173 PolarHBondContact O-N 2.8Å; L170-C174 WeakPolarHBondContact O-CB 3.44Å; L170-C174 PolarHBondContact O-N 3.05Å; L170-C174 PolarHBondContact O-SG 3.45Å; L170-C174 VanDerWaalsContact O-SG 3.34Å; L170-I185 HydrophobicContact CD1-CD1 4.07Å; L170-L197 HydrophobicContact CD2-CB 4.46Å; L170-L197 HydrophobicContact CD2-CD1 3.77Å
171L98.1Very high97.7Very high13 Ų1339.7 Ų39.77%0.06821%0.208CC..Hα-helixtrans-59.8-55.4179.2174.556.4000111.8L72 I74 H82 K167 T168 F173 C174 E175L72-L171 HydrophobicContact CD2-CB 4.37Å; L72-L171 HydrophobicContact CD2-CD1 3.92Å; I74-L171 HydrophobicContact CD1-CB 4.31Å; I74-L171 HydrophobicContact CD1-CD1 4.01Å; I74-L171 HydrophobicContact CD1-CD2 4.42Å; I74-L171 HydrophobicContact CD1-CG 4.49Å; I74-L171 HydrophobicContact CG1-CD1 3.87Å; H82-L171 HydrophobicContact CB-CD2 4.07Å; H82-L171 VanDerWaalsContact CD2-CD2 3.46Å; H82-L171 WeakPolarHBondContact CD2-CD2 3.06Å; K167-L171 VanDerWaalsContact O-CB 3.24Å; K167-L171 WeakPolarHBondContact O-CB 3.19Å; K167-L171 PolarHBondContact O-N 2.86Å; T168-L171 PolarHBondContact O-N 2.82Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 2.88Å; L171-C174 PolarHBondContact O-N 3.49Å; L171-E175 HydrophobicContact CD1-CG 4.35Å; L171-E175 WeakPolarHBondContact O-CG 3.46Å; L171-E175 PolarHBondContact O-N 3.17Å
172V98.4Very high97.8Very high3 Ų334.2 Ų34.22%0.01819%0.188CC..Hα-helixtrans-63.5-39.6-178.2169.90000110.4V89 T168 E175 E176 L229 F230V89-V172 HydrophobicContact CB-CB 4.49Å; V89-V172 HydrophobicContact CB-CG1 4.06Å; V89-V172 HydrophobicContact CG1-CB 4.25Å; V89-V172 HydrophobicContact CG1-CG1 3.92Å; V89-V172 HydrophobicContact CG2-CB 4.4Å; V89-V172 HydrophobicContact CG2-CG1 4.45Å; V89-V172 HydrophobicContact CG2-CG2 4.07Å; T168-V172 HydrophobicContact CG2-CG2 4.26Å; T168-V172 WeakPolarHBondContact O-CB 3.37Å; T168-V172 WeakPolarHBondContact O-CG2 3.15Å; T168-V172 PolarHBondContact O-N 2.83Å; V172-E175 PolarHBondContact O-N 2.64Å; V172-E176 WeakPolarHBondContact O-CB 3.48Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 2.76Å; V172-E176 VanDerWaalsContact O-N 3.09Å; V172-L229 HydrophobicContact CG1-CB 3.59Å; V172-L229 HydrophobicContact CG1-CD1 4.12Å; V172-F230 HydrophobicContact CB-CB 4.49Å; V172-F230 HydrophobicContact CG1-CB 3.79Å; V172-F230 HydrophobicContact CG2-CB 3.83Å; V172-F230 HydrophobicContact CG2-CD2 4.31Å; V172-F230 HydrophobicContact CG2-CG 4.01Å
173F98.7Very high97.8Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-63.3-45.3174.8177.4-115.6000112.5M91 I132 M144 F153 A169 L170 L171 E175 E176 F177 I185 F223 W224M91-F173 HydrophobicContact CE-CD2 4.46Å; I132-F173 HydrophobicContact CD1-CB 4.25Å; I132-F173 HydrophobicContact CD1-CD2 3.56Å; I132-F173 HydrophobicContact CD1-CE2 4.28Å; I132-F173 HydrophobicContact CD1-CG 4.15Å; I132-F173 HydrophobicContact CG1-CB 3.99Å; I132-F173 HydrophobicContact CG1-CD2 3.88Å; I132-F173 HydrophobicContact CG1-CG 3.99Å; I132-F173 HydrophobicContact CG2-CB 4.46Å; M144-F173 HydrophobicContact CE-CD1 4.14Å; M144-F173 HydrophobicContact SD-CD1 4.49Å; F153-F173 HydrophobicContact CB-CE1 4.26Å; F153-F173 HydrophobicContact CB-CZ 4.11Å; F153-F173 AromaticContact CD1-CE1 3.55Å; F153-F173 HydrophobicContact CD1-CE1 3.55Å; F153-F173 AromaticContact CD1-CZ 3.81Å; F153-F173 HydrophobicContact CD1-CZ 3.81Å; F153-F173 AromaticContact CD2-CZ 3.95Å; F153-F173 HydrophobicContact CD2-CZ 3.95Å; F153-F173 AromaticContact CE1-CE1 3.94Å; F153-F173 HydrophobicContact CE1-CE1 3.94Å; F153-F173 HydrophobicContact CE1-CZ 4.14Å; F153-F173 HydrophobicContact CE2-CZ 4.27Å; F153-F173 AromaticContact CG-CE1 3.87Å; F153-F173 HydrophobicContact CG-CE1 3.87Å; F153-F173 AromaticContact CG-CZ 3.68Å; F153-F173 HydrophobicContact CG-CZ 3.68Å; F153-F173 HydrophobicContact CZ-CZ 4.33Å; A169-F173 WeakPolarHBondContact O-CB 3.26Å; A169-F173 PolarHBondContact O-N 2.84Å; L170-F173 PolarHBondContact O-N 2.8Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 2.88Å; F173-E175 PolarHBondContact O-N 2.8Å; F173-E176 PolarHBondContact O-N 2.93Å; F173-F177 HydrophobicContact CE1-CB 4.47Å; F173-F177 HydrophobicContact CE1-CG 4.41Å; F173-F177 HydrophobicContact CE2-CB 4.24Å; F173-F177 HydrophobicContact CE2-CD2 4.38Å; F173-F177 HydrophobicContact CE2-CG 4.46Å; F173-F177 HydrophobicContact CZ-CB 4.19Å; F173-F177 HydrophobicContact CZ-CD2 4.03Å; F173-F177 HydrophobicContact CZ-CG 4.03Å; F173-F177 WeakPolarHBondContact O-CB 3.37Å; F173-F177 PolarHBondContact O-N 3.24Å; F173-I185 HydrophobicContact CD1-CD1 4.08Å; F173-I185 HydrophobicContact CE1-CD1 3.91Å; F173-I185 HydrophobicContact CE1-CG1 4.3Å; F173-F223 HydrophobicContact CE2-CZ 4.5Å; F173-W224 AromaticContact CE2-CH2 3.77Å; F173-W224 HydrophobicContact CE2-CH2 3.77Å; F173-W224 AromaticContact CE2-CZ3 3.89Å; F173-W224 HydrophobicContact CE2-CZ3 3.89Å; F173-W224 AromaticContact CZ-CH2 3.93Å; F173-W224 HydrophobicContact CZ-CH2 3.93Å; F173-W224 HydrophobicContact CZ-CZ3 4.46Å
174C98.6Very high98Very high2 Ų229.2 Ų29.21%0.01416%0.163CC..Hα-helixtrans-60-44.5177.6-79.60000111.9P69 L72 L170 L171 F177 I178 I185P69-C174 HydrophobicContact CB-CB 4.13Å; L72-C174 HydrophobicContact CD2-CB 3.87Å; L170-C174 WeakPolarHBondContact O-CB 3.44Å; L170-C174 PolarHBondContact O-N 3.05Å; L170-C174 PolarHBondContact O-SG 3.45Å; L170-C174 VanDerWaalsContact O-SG 3.34Å; L171-C174 PolarHBondContact O-N 3.49Å; C174-F177 PolarHBondContact O-N 2.84Å; C174-I178 WeakPolarHBondContact O-CB 3.31Å; C174-I178 WeakPolarHBondContact O-CD1 3.48Å; C174-I178 WeakPolarHBondContact O-CG1 3.37Å; C174-I178 PolarHBondContact O-N 2.83Å; C174-I185 VanDerWaalsContact SG-CD1 3.54Å
175E97.9Very high98.1Very high108 Ų10828.1 Ų28.151%0.50516%0.157SC..Hα-helixtrans-59-49.6177.3-71.6178.2176.100111.5L171 V172 F173 G179L171-E175 HydrophobicContact CD1-CG 4.35Å; L171-E175 WeakPolarHBondContact O-CG 3.46Å; L171-E175 PolarHBondContact O-N 3.17Å; V172-E175 PolarHBondContact O-N 2.64Å; F173-E175 PolarHBondContact O-N 2.8Å; E175-G179 PolarHBondContact O-N 2.84Å
176E98.3Very high98.2Very high50 Ų5028.1 Ų28.123%0.23416%0.157CC..Hα-helixtrans-62.1-44.3176.3-78.6-72.7127.600112.3V172 F173 G179 H180 R227 L229V172-E176 WeakPolarHBondContact O-CB 3.48Å; V172-E176 WeakPolarHBondContact O-CG 3.48Å; V172-E176 PolarHBondContact O-N 2.76Å; V172-E176 VanDerWaalsContact O-N 3.09Å; F173-E176 PolarHBondContact O-N 2.93Å; E176-G179 PolarHBondContact O-N 2.87Å; E176-H180 PolarHBondContact O-N 2.87Å; E176-H180 PolarHBondContact O-ND1 2.95Å; E176-H180 IonicContact OE2-CE1 3.95Å; E176-R227 IonicContact OE2-NE 3.06Å; E176-R227 IonicContact OE2-NH2 2.76Å; E176-R227 PolarHBondContact OE2-NH2 2.52Å; E176-L229 HydrophobicContact CG-CB 4.2Å; E176-L229 HydrophobicContact CG-CD1 4.25Å; E176-L229 HydrophobicContact CG-CD2 4Å; E176-L229 HydrophobicContact CG-CG 4.37Å
177F98.6Very high98.2Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-65.4-46.7-176.9-171-127.2000111.1P69 T151 F153 F173 C174 H180 G181 G182 I185 L219 F223P69-F177 HydrophobicContact CG-CD1 3.87Å; P69-F177 HydrophobicContact CG-CE1 4.25Å; T151-F177 WeakPolarHBondContact O-CZ 3.4Å; F153-F177 HydrophobicContact CB-CE1 4.32Å; F153-F177 HydrophobicContact CB-CE2 4.39Å; F153-F177 HydrophobicContact CB-CZ 3.92Å; F173-F177 HydrophobicContact CE1-CB 4.47Å; F173-F177 HydrophobicContact CE1-CG 4.41Å; F173-F177 HydrophobicContact CE2-CB 4.24Å; F173-F177 HydrophobicContact CE2-CD2 4.38Å; F173-F177 HydrophobicContact CE2-CG 4.46Å; F173-F177 HydrophobicContact CZ-CB 4.19Å; F173-F177 HydrophobicContact CZ-CD2 4.03Å; F173-F177 HydrophobicContact CZ-CG 4.03Å; F173-F177 WeakPolarHBondContact O-CB 3.37Å; F173-F177 PolarHBondContact O-N 3.24Å; C174-F177 PolarHBondContact O-N 2.84Å; F177-H180 PolarHBondContact O-N 3.24Å; F177-G181 PolarHBondContact O-N 2.79Å; F177-G182 VanDerWaalsContact CZ-CA 3.46Å; F177-G182 VanDerWaalsContact O-CA 3.3Å; F177-G182 WeakPolarHBondContact O-CA 3.21Å; F177-G182 PolarHBondContact O-N 2.95Å; F177-I185 HydrophobicContact CD1-CG1 4.48Å; F177-I185 HydrophobicContact CE1-CG1 4.34Å; F177-L219 HydrophobicContact CD2-CD1 4.12Å; F177-L219 HydrophobicContact CE2-CD1 3.81Å; F177-L219 HydrophobicContact CE2-CD2 4.37Å; F177-F223 HydrophobicContact CB-CZ 4.43Å; F177-F223 HydrophobicContact CD2-CE1 4.23Å; F177-F223 HydrophobicContact CD2-CZ 4.05Å
178I98Very high98.3Very high60 Ų6026.5 Ų26.531%0.30815%0.151SC..Hα-helixtrans-59.8-48174.3-66.9159000110.5P69 E70 C174 H180 G181P69-I178 HydrophobicContact CB-CD1 3.59Å; P69-I178 HydrophobicContact CB-CG1 3.48Å; P69-I178 VanDerWaalsContact CB-CG1 3.48Å; P69-I178 HydrophobicContact CG-CG1 4.46Å; E70-I178 HydrophobicContact CG-CD1 4.04Å; E70-I178 HydrophobicContact CG-CG1 4.24Å; C174-I178 WeakPolarHBondContact O-CB 3.31Å; C174-I178 WeakPolarHBondContact O-CD1 3.48Å; C174-I178 WeakPolarHBondContact O-CG1 3.37Å; C174-I178 PolarHBondContact O-N 2.83Å; I178-H180 PolarHBondContact O-N 2.75Å; I178-G181 PolarHBondContact O-N 3.1Å
179G97.9Very high98.2Very high62 Ų6229.7 Ų29.764%0.63917%0.17SC*.Hα-helixtrans-57.1-22.9-177.400000114E175 E176E175-G179 PolarHBondContact O-N 2.84Å; E176-G179 PolarHBondContact O-N 2.87Å
180H98.2Very high98.1Very high75 Ų7532.2 Ų32.235%0.34718%0.184SC..THydrogen-bonded Turntrans-112.712-179.5-62.286.5000113.9E176 F177 I178 L219 P220 F223E176-H180 PolarHBondContact O-N 2.87Å; E176-H180 PolarHBondContact O-ND1 2.95Å; E176-H180 IonicContact OE2-CE1 3.95Å; F177-H180 PolarHBondContact O-N 3.24Å; I178-H180 PolarHBondContact O-N 2.75Å; H180-L219 VanDerWaalsContact O-CD2 3.24Å; H180-L219 WeakPolarHBondContact O-CD2 3.43Å; H180-P220 HydrophobicContact CB-CG 4.43Å; H180-F223 HydrophobicContact CB-CD2 3.53Å; H180-F223 HydrophobicContact CB-CE2 3.66Å; H180-F223 AromaticContact CG-CD2 3.55Å; H180-F223 AromaticContact CG-CE2 3.73Å; H180-F223 AromaticContact ND1-CD2 3.86Å; H180-F223 AromaticContact ND1-CE2 3.65Å
181G98Very high97.8Very high27 Ų2735.7 Ų35.728%0.27820%0.202SC..THydrogen-bonded Turntrans95.47.7171.900000115.8T151 F177 I178 K183T151-G181 WeakPolarHBondContact CG2-O 3.23Å; F177-G181 PolarHBondContact O-N 2.79Å; I178-G181 PolarHBondContact O-N 3.1Å; G181-K183 WeakPolarHBondContact O-CG 3.36Å
182G98.6Very high97.6Very high2 Ų242.2 Ų42.22%0.02124%0.237CC..  trans-60.4144.2167.700000112.1F177F177-G182 VanDerWaalsContact CZ-CA 3.46Å; F177-G182 VanDerWaalsContact O-CA 3.3Å; F177-G182 WeakPolarHBondContact O-CA 3.21Å; F177-G182 PolarHBondContact O-N 2.95Å
183K98.5Very high97.2Very high102 Ų10245.6 Ų45.644%0.44325%0.253SS..  trans-126.6-36.3-166.2-63.6-59.1179.3-173.10114.9P69 T151 G181 M214P69-K183 WeakPolarHBondContact CD-O 3.27Å; T151-K183 PolarHBondContact O-N 3.37Å; G181-K183 WeakPolarHBondContact O-CG 3.36Å; K183-M214 HydrophobicContact CB-CE 3.77Å; K183-M214 HydrophobicContact CB-CG 4.48Å; K183-M214 HydrophobicContact CB-SD 3.89Å
184L98.7Very high97Very high0 Ų046.5 Ų46.50%026%0.258CS..EExtended strand (participates in β ladder)trans-145.8137.6-172.4-165.169.4000110.9V66 W68 L152 F153 Y207 M214V66-L184 HydrophobicContact CB-CD1 3.86Å; V66-L184 HydrophobicContact CB-CD2 4.41Å; V66-L184 HydrophobicContact CB-CG 4.27Å; V66-L184 HydrophobicContact CG1-CD1 4.46Å; V66-L184 HydrophobicContact CG1-CD2 4.13Å; V66-L184 HydrophobicContact CG1-CG 4.48Å; V66-L184 HydrophobicContact CG2-CD1 4.11Å; W68-L184 HydrophobicContact CD2-CD1 3.61Å; W68-L184 HydrophobicContact CE3-CD1 3.54Å; W68-L184 HydrophobicContact CG-CD1 4.29Å; W68-L184 HydrophobicContact CH2-CD1 3.84Å; W68-L184 HydrophobicContact CZ2-CD1 3.91Å; W68-L184 HydrophobicContact CZ3-CD1 3.67Å; L152-L184 CarbonylContact C-O 3.52Å; L152-L184 VanDerWaalsContact CA-O 3.32Å; L152-L184 WeakPolarHBondContact CA-O 3.31Å; L152-L184 HydrophobicContact CD1-CB 4.33Å; L152-L184 HydrophobicContact CD1-CD2 3.8Å; L152-L184 HydrophobicContact CD1-CG 4.48Å; L152-L184 HydrophobicContact CG-CB 4.24Å; L152-L184 HydrophobicContact CG-CD2 4.48Å; F153-L184 PolarHBondContact N-O 3Å; L184-Y207 HydrophobicContact CD2-CD2 4.44Å; L184-Y207 HydrophobicContact CD2-CE2 4.5Å; L184-M214 HydrophobicContact CB-CE 4.16Å; L184-M214 HydrophobicContact CB-SD 3.58Å; L184-M214 VanDerWaalsContact CB-SD 3.58Å; L184-M214 HydrophobicContact CD2-SD 4.2Å
185I98.8Very high96.9Very high4 Ų448.3 Ų48.32%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-106.6123.7165.4-63.5170.4000107.4V66 L67 P69 F153 L170 F173 C174 F177V66-I185 CarbonylContact C-O 3.53Å; V66-I185 WeakPolarHBondContact CA-O 3.41Å; L67-I185 HydrophobicContact CB-CB 4.22Å; L67-I185 HydrophobicContact CD2-CD1 4.3Å; L67-I185 PolarHBondContact N-O 2.98Å; L67-I185 PolarHBondContact O-N 3.23Å; P69-I185 HydrophobicContact CG-CD1 4.23Å; P69-I185 HydrophobicContact CG-CG1 4.19Å; F153-I185 HydrophobicContact CB-CG1 4.43Å; F153-I185 CarbonylContact O-C 3.36Å; F153-I185 VanDerWaalsContact O-CA 3.26Å; F153-I185 WeakPolarHBondContact O-CA 3.42Å; L170-I185 HydrophobicContact CD1-CD1 4.07Å; F173-I185 HydrophobicContact CD1-CD1 4.08Å; F173-I185 HydrophobicContact CE1-CD1 3.91Å; F173-I185 HydrophobicContact CE1-CG1 4.3Å; C174-I185 VanDerWaalsContact SG-CD1 3.54Å; F177-I185 HydrophobicContact CD1-CG1 4.48Å; F177-I185 HydrophobicContact CE1-CG1 4.34Å
186D98.7Very high96.8Very high0 Ų046.1 Ų46.10%027%0.27CS..EExtended strand (participates in β ladder)trans-83.2122.2172.2166.928.6000109R64 L152 F153 C154 G155 Q188 Y207R64-D186 IonicContact CZ-OD1 3.43Å; R64-D186 IonicContact CZ-OD2 3.5Å; R64-D186 IonicContact NE-OD1 2.79Å; R64-D186 PolarHBondContact NE-OD1 2.95Å; R64-D186 IonicContact NE-OD2 3.63Å; R64-D186 VanDerWaalsContact NH2-CG 3.33Å; R64-D186 IonicContact NH2-OD1 3.24Å; R64-D186 PolarHBondContact NH2-OD1 3.25Å; R64-D186 IonicContact NH2-OD2 2.64Å; R64-D186 PolarHBondContact NH2-OD2 2.94Å; L152-D186 HydrophobicContact CD2-CB 4.2Å; F153-D186 PolarHBondContact O-N 3.48Å; C154-D186 PolarHBondContact SG-OD2 3.17Å; G155-D186 PolarHBondContact N-O 3.44Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.5Å; D186-Q188 PolarHBondContact OD1-N 2.81Å; D186-Y207 HydrophobicContact CB-CE2 3.9Å; D186-Y207 VanDerWaalsContact CG-OH 3.29Å; D186-Y207 PolarHBondContact OD2-OH 3.06Å
187C97.8Very high96.7Very high24 Ų2444.2 Ų44.216%0.16226%0.261CS..EExtended strand (participates in β ladder)trans-105.54.3179.9-59.50000112.2A65 V189A65-C187 HydrophobicContact CB-CB 4.11Å; A65-C187 CarbonylContact O-C 3.04Å; A65-C187 PolarHBondContact O-N 3.36Å; C187-V189 PolarHBondContact O-N 2.86Å
188Q97.7Very high96.6Very high19 Ų1945.3 Ų45.39%0.08927%0.273CS..EExtended strand (participates in β ladder)trans63.1-83.7177.9-53.2171.7-3.900113.3F47 R64 A65 E156 D186F47-Q188 HydrophobicContact CD1-CB 4.37Å; F47-Q188 HydrophobicContact CD1-CG 4.01Å; F47-Q188 HydrophobicContact CD2-CG 4.26Å; F47-Q188 HydrophobicContact CE1-CB 3.81Å; F47-Q188 HydrophobicContact CE1-CG 3.96Å; F47-Q188 HydrophobicContact CE2-CB 4.14Å; F47-Q188 HydrophobicContact CE2-CG 4.25Å; F47-Q188 VanDerWaalsContact CE2-OE1 3.3Å; F47-Q188 HydrophobicContact CG-CG 4.14Å; F47-Q188 HydrophobicContact CZ-CB 3.69Å; F47-Q188 HydrophobicContact CZ-CG 4.1Å; R64-Q188 WeakPolarHBondContact CD-O 3.44Å; A65-Q188 PolarHBondContact N-O 2.82Å; A65-Q188 PolarHBondContact O-N 2.85Å; E156-Q188 PolarHBondContact OE1-NE2 2.87Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.5Å; D186-Q188 PolarHBondContact OD1-N 2.81Å
189V95.7Very high96.6Very high66 Ų6643 Ų4340%0.426%0.262SS..SBendtrans-117.9133.5-177.5-178.50000109.3F47 P61 C187F47-V189 HydrophobicContact CZ-CG2 4.42Å; P61-V189 HydrophobicContact CG-CG2 4.15Å; C187-V189 PolarHBondContact O-N 2.86Å
190L95.9Very high96.6Very high54 Ų5442.3 Ų42.328%0.28325%0.248SC..  trans-69.7138.3-179.1-164.972.6000109.7A65 A195 A199 E201A65-L190 HydrophobicContact CB-CB 3.9Å; A65-L190 HydrophobicContact CB-CD1 4.13Å; A65-L190 VanDerWaalsContact CB-N 3.3Å; L190-A195 HydrophobicContact CD1-CB 4.05Å; L190-A195 HydrophobicContact CD2-CB 4.3Å; L190-A195 HydrophobicContact CG-CB 4.18Å; L190-A199 HydrophobicContact CD1-CB 3.89Å; L190-E201 HydrophobicContact CB-CG 3.99Å; L190-E201 HydrophobicContact CD2-CG 4.04Å; L190-E201 HydrophobicContact CG-CG 4.47Å
191N93.5Very high96.6Very high78 Ų7843.8 Ų43.842%0.41726%0.255SS..  trans-139.2165.916960.263.1000109.2H193 T194 A195N191-H193 PolarHBondContact O-N 3.41Å; N191-H193 VanDerWaalsContact O-N 3.13Å; N191-H193 WeakPolarHBondContact OD1-CA 3.39Å; N191-H193 VanDerWaalsContact OD1-CB 3.3Å; N191-H193 WeakPolarHBondContact OD1-CB 3.27Å; N191-H193 PolarHBondContact OD1-N 3.45Å; N191-H193 VanDerWaalsContact OD1-N 3.13Å; N191-T194 PolarHBondContact N-OG1 3.5Å; N191-T194 PolarHBondContact O-N 3.28Å; N191-T194 PolarHBondContact O-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 3.09Å; N191-T194 PolarHBondContact OD1-OG1 3.47Å; N191-A195 VanDerWaalsContact O-CB 3.3Å; N191-A195 WeakPolarHBondContact O-CB 3.27Å; N191-A195 PolarHBondContact O-N 3.03Å
192D93.4Very high96.7Very high151 Ų15143.6 Ų43.681%0.80725%0.247SC*.Hα-helixtrans-55.9-35.4-176.4-67.2-14.4000112.6S196D192-S196 WeakPolarHBondContact O-CB 3.25Å; D192-S196 PolarHBondContact O-N 2.88Å
193H90.9Very high96.7Very high73 Ų7346.4 Ų46.434%0.33827%0.265SS..Hα-helixtrans-66.3-53.9178.4-177.173.2000111.5N191 S196 L197N191-H193 PolarHBondContact O-N 3.41Å; N191-H193 VanDerWaalsContact O-N 3.13Å; N191-H193 WeakPolarHBondContact OD1-CA 3.39Å; N191-H193 VanDerWaalsContact OD1-CB 3.3Å; N191-H193 WeakPolarHBondContact OD1-CB 3.27Å; N191-H193 PolarHBondContact OD1-N 3.45Å; N191-H193 VanDerWaalsContact OD1-N 3.13Å; H193-S196 PolarHBondContact O-N 3.23Å; H193-S196 PolarHBondContact O-OG 3.2Å; H193-L197 WeakPolarHBondContact O-CG 3.44Å; H193-L197 PolarHBondContact O-N 2.96Å
194T93.8Very high96.7Very high19 Ų1942.5 Ų42.512%0.11725%0.247CC..Hα-helixtrans-66.8-37.4-179.853.50000111.8N191 S196 L197 G198 A199N191-T194 PolarHBondContact N-OG1 3.5Å; N191-T194 PolarHBondContact O-N 3.28Å; N191-T194 PolarHBondContact O-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 3.09Å; N191-T194 PolarHBondContact OD1-OG1 3.47Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.49Å; T194-L197 WeakPolarHBondContact O-CB 3.39Å; T194-L197 PolarHBondContact O-N 2.81Å; T194-L197 VanDerWaalsContact O-N 3.12Å; T194-G198 PolarHBondContact O-N 3.4Å; T194-A199 WeakPolarHBondContact O-CB 3.34Å; T194-A199 PolarHBondContact O-N 3.06Å
195A96.1Very high96.6Very high41 Ų4150.8 Ų50.834%0.33928%0.279SS..Hα-helixtrans-59.5-42.8172.900000111.9L190 N191 L197 G198L190-A195 HydrophobicContact CD1-CB 4.05Å; L190-A195 HydrophobicContact CD2-CB 4.3Å; L190-A195 HydrophobicContact CG-CB 4.18Å; N191-A195 VanDerWaalsContact O-CB 3.3Å; N191-A195 WeakPolarHBondContact O-CB 3.27Å; N191-A195 PolarHBondContact O-N 3.03Å; A195-L197 PolarHBondContact O-N 2.92Å; A195-L197 VanDerWaalsContact O-N 3.15Å; A195-G198 PolarHBondContact O-N 2.85Å
196S95.5Very high96.6Very high62 Ų6253.1 Ų53.143%0.43429%0.291SS..Hα-helixtrans-62.7-21.9177.480.10000114H73 D192 H193 T194H73-S196 PolarHBondContact ND1-O 2.84Å; D192-S196 WeakPolarHBondContact O-CB 3.25Å; D192-S196 PolarHBondContact O-N 2.88Å; H193-S196 PolarHBondContact O-N 3.23Å; H193-S196 PolarHBondContact O-OG 3.2Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.49Å
197L95.9Very high96.6Very high9 Ų953.1 Ų53.15%0.04729%0.291CS..THydrogen-bonded Turntrans-91.60.4177-62.1168.8000112.6L72 H73 K167 L170 H193 T194 A195L72-L197 HydrophobicContact CD1-CB 4.32Å; H73-L197 PolarHBondContact N-O 2.91Å; K167-L197 HydrophobicContact CG-CD2 4.3Å; L170-L197 HydrophobicContact CD2-CB 4.46Å; L170-L197 HydrophobicContact CD2-CD1 3.77Å; H193-L197 WeakPolarHBondContact O-CG 3.44Å; H193-L197 PolarHBondContact O-N 2.96Å; T194-L197 WeakPolarHBondContact O-CB 3.39Å; T194-L197 PolarHBondContact O-N 2.81Å; T194-L197 VanDerWaalsContact O-N 3.12Å; A195-L197 PolarHBondContact O-N 2.92Å; A195-L197 VanDerWaalsContact O-N 3.15Å
198G97.2Very high96.7Very high24 Ų2452.7 Ų52.725%0.24729%0.287CS..THydrogen-bonded Turntrans969.517800000114.7T194 A195T194-G198 PolarHBondContact O-N 3.4Å; A195-G198 PolarHBondContact O-N 2.85Å
199A98.1Very high96.7Very high10 Ų1055.5 Ų55.58%0.08330%0.303CS..  trans-63.6142.9169.100000110.1V66 L67 L190 T194V66-A199 CarbonylContact O-C 3.59Å; V66-A199 VanDerWaalsContact O-CA 3.24Å; V66-A199 WeakPolarHBondContact O-CA 3.46Å; L67-A199 HydrophobicContact CB-CB 4.37Å; L190-A199 HydrophobicContact CD1-CB 3.89Å; T194-A199 WeakPolarHBondContact O-CB 3.34Å; T194-A199 PolarHBondContact O-N 3.06Å
200C98.3Very high96.8Very high49 Ų4956.4 Ų56.433%0.33130%0.3SS..EExtended strand (participates in β ladder)trans-133.8164.8179.266.70000110.8A65 V66A65-C200 CarbonylContact C-O 3.41Å; A65-C200 WeakPolarHBondContact CA-O 3.45Å; V66-C200 PolarHBondContact N-O 3.25Å; V66-C200 PolarHBondContact O-N 2.99Å
201E98.5Very high97Very high106 Ų10653.8 Ų53.850%0.49529%0.286SS..EExtended strand (participates in β ladder)trans-96.4135.2177.8-80.2179.115100111.1P63 R64 L190P63-E201 HydrophobicContact CB-CB 3.79Å; P63-E201 HydrophobicContact CB-CG 4.12Å; P63-E201 HydrophobicContact CG-CB 3.91Å; P63-E201 HydrophobicContact CG-CG 3.84Å; P63-E201 WeakPolarHBondContact CG-OE1 3.05Å; R64-E201 WeakPolarHBondContact O-CA 3.38Å; L190-E201 HydrophobicContact CB-CG 3.99Å; L190-E201 HydrophobicContact CD2-CG 4.04Å; L190-E201 HydrophobicContact CG-CG 4.47Å
202I98.6Very high97.2Very high22 Ų2254 Ų5411%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-126.2153.5170.862.9171.7000110.1P63 R64 V66 R204 Y210P63-I202 CarbonylContact C-O 3.57Å; P63-I202 WeakPolarHBondContact CA-O 3.22Å; P63-I202 WeakPolarHBondContact CB-O 3.44Å; R64-I202 PolarHBondContact N-O 2.99Å; R64-I202 PolarHBondContact O-N 3.1Å; V66-I202 HydrophobicContact CG1-CD1 3.85Å; V66-I202 HydrophobicContact CG1-CG1 4.05Å; V66-I202 HydrophobicContact CG2-CD1 3.98Å; V66-I202 HydrophobicContact CG2-CG1 4.05Å; V66-I202 HydrophobicContact CG2-CG2 4.04Å; I202-R204 PolarHBondContact O-N 3.3Å; I202-Y210 HydrophobicContact CD1-CD2 3.96Å; I202-Y210 HydrophobicContact CD1-CE2 4.21Å
203P98.4Very high97.4Very high62 Ų6253 Ų5340%0.40328%0.278SS..  trans-56141.9173.7-2534.8000111.8R205 D206 Y207P203-R205 PolarHBondContact O-N 2.79Å; P203-R205 VanDerWaalsContact O-N 3.14Å; P203-D206 HydrophobicContact CB-CB 4.49Å; P203-D206 WeakPolarHBondContact CD-OD2 3.42Å; P203-D206 WeakPolarHBondContact CG-OD2 3.14Å; P203-D206 PolarHBondContact O-N 2.91Å; P203-Y207 PolarHBondContact O-N 2.94Å
204R98.4Very high97.8Very high19 Ų1950.5 Ų50.57%0.07227%0.266CS..Hα-helixtrans-50.5-42177.4-179-170.6-57.3159.510112.1P16 S60 P61 D62 I202 D206 Y207 L208P16-R204 PolarHBondContact O-NH1 2.87Å; S60-R204 PolarHBondContact O-NE 2.8Å; S60-R204 PolarHBondContact O-NH2 2.93Å; S60-R204 WeakPolarHBondContact OG-CD 3.48Å; P61-R204 WeakPolarHBondContact O-CB 3.26Å; P61-R204 PolarHBondContact O-NE 3.3Å; D62-R204 HydrophobicContact CB-CB 3.78Å; D62-R204 PolarHBondContact OD1-N 3.17Å; I202-R204 PolarHBondContact O-N 3.3Å; R204-D206 VanDerWaalsContact C-N 3.28Å; R204-D206 PolarHBondContact O-N 2.86Å; R204-Y207 WeakPolarHBondContact O-CB 3.43Å; R204-Y207 PolarHBondContact O-N 3.11Å; R204-L208 HydrophobicContact CG-CD1 4.03Å; R204-L208 HydrophobicContact CG-CG 4.34Å; R204-L208 VanDerWaalsContact O-CG 3.31Å; R204-L208 WeakPolarHBondContact O-CG 3.37Å; R204-L208 PolarHBondContact O-N 3.27Å
205R98.2Very high98Very high175 Ų17553.7 Ų53.766%0.6628%0.276SS*.Hα-helixtrans-57.3-42.7178.2-175.3-177.967.4-172.2-1.5111.9P203 L208 N209P203-R205 PolarHBondContact O-N 2.79Å; P203-R205 VanDerWaalsContact O-N 3.14Å; R205-L208 PolarHBondContact O-N 3.22Å; R205-N209 VanDerWaalsContact O-CG 3.28Å; R205-N209 PolarHBondContact O-N 2.92Å; R205-N209 PolarHBondContact O-ND2 3.44Å
206D98.6Very high98Very high52 Ų5258.1 Ų58.128%0.27829%0.294SS..Hα-helixtrans-72.7-39.9-177.8-60.5-10.1000109.9P203 R204 L208 N209 Y210P203-D206 HydrophobicContact CB-CB 4.49Å; P203-D206 WeakPolarHBondContact CD-OD2 3.42Å; P203-D206 WeakPolarHBondContact CG-OD2 3.14Å; P203-D206 PolarHBondContact O-N 2.91Å; R204-D206 VanDerWaalsContact C-N 3.28Å; R204-D206 PolarHBondContact O-N 2.86Å; D206-L208 PolarHBondContact O-N 2.69Å; D206-N209 WeakPolarHBondContact O-CB 3.23Å; D206-N209 PolarHBondContact O-N 2.96Å; D206-Y210 WeakPolarHBondContact O-CD2 3.37Å; D206-Y210 PolarHBondContact O-N 3.43Å
207Y98.7Very high98.1Very high1 Ų156.3 Ų56.30%0.00429%0.285CS..Hα-helixtrans-56-48.5169.9173.9-107.7000112.6R64 V66 L152 L184 D186 P203 R204 N209 Y210 L211R64-Y207 HydrophobicContact CB-CD1 4.41Å; R64-Y207 HydrophobicContact CB-CG 4.04Å; R64-Y207 HydrophobicContact CG-CD1 3.85Å; R64-Y207 HydrophobicContact CG-CD2 3.82Å; R64-Y207 HydrophobicContact CG-CE1 4.24Å; R64-Y207 HydrophobicContact CG-CE2 4.25Å; R64-Y207 HydrophobicContact CG-CG 3.62Å; V66-Y207 HydrophobicContact CG1-CD2 3.86Å; V66-Y207 HydrophobicContact CG1-CE2 4.35Å; L152-Y207 HydrophobicContact CD1-CE2 4.06Å; L184-Y207 HydrophobicContact CD2-CD2 4.44Å; L184-Y207 HydrophobicContact CD2-CE2 4.5Å; D186-Y207 HydrophobicContact CB-CE2 3.9Å; D186-Y207 VanDerWaalsContact CG-OH 3.29Å; D186-Y207 PolarHBondContact OD2-OH 3.06Å; P203-Y207 PolarHBondContact O-N 2.94Å; R204-Y207 WeakPolarHBondContact O-CB 3.43Å; R204-Y207 PolarHBondContact O-N 3.11Å; Y207-N209 VanDerWaalsContact C-N 3.29Å; Y207-N209 PolarHBondContact O-N 3.41Å; Y207-Y210 PolarHBondContact O-N 3.3Å; Y207-L211 HydrophobicContact CE1-CD2 4.34Å; Y207-L211 WeakPolarHBondContact O-CB 3.14Å; Y207-L211 PolarHBondContact O-N 2.8Å
208L98.6Very high98Very high14 Ų1465.7 Ų65.77%0.07332%0.32CS..Hα-helixtrans-63.7-35.2179.2-67.6172.6000112.1P16 R44 R204 R205 D206 L211 N212P16-L208 HydrophobicContact CB-CD1 3.87Å; P16-L208 HydrophobicContact CB-CD2 4.46Å; P16-L208 HydrophobicContact CG-CD1 4.22Å; P16-L208 HydrophobicContact CG-CD2 4.27Å; R44-L208 WeakPolarHBondContact O-CD2 3.37Å; R204-L208 HydrophobicContact CG-CD1 4.03Å; R204-L208 HydrophobicContact CG-CG 4.34Å; R204-L208 VanDerWaalsContact O-CG 3.31Å; R204-L208 WeakPolarHBondContact O-CG 3.37Å; R204-L208 PolarHBondContact O-N 3.27Å; R205-L208 PolarHBondContact O-N 3.22Å; D206-L208 PolarHBondContact O-N 2.69Å; L208-L211 HydrophobicContact CD2-CD2 4.43Å; L208-N212 WeakPolarHBondContact O-CB 3.34Å; L208-N212 VanDerWaalsContact O-CG 3.28Å; L208-N212 PolarHBondContact O-N 2.81Å; L208-N212 PolarHBondContact O-ND2 3.42Å
209N98.5Very high98Very high79 Ų7965.3 Ų65.342%0.42231%0.312SS..Hα-helixtrans-63.5-47.3172.8-73-27.4000111.5R205 D206 Y207 N212 Q213R205-N209 VanDerWaalsContact O-CG 3.28Å; R205-N209 PolarHBondContact O-N 2.92Å; R205-N209 PolarHBondContact O-ND2 3.44Å; D206-N209 WeakPolarHBondContact O-CB 3.23Å; D206-N209 PolarHBondContact O-N 2.96Å; Y207-N209 VanDerWaalsContact C-N 3.29Å; Y207-N209 PolarHBondContact O-N 3.41Å; N209-N212 PolarHBondContact O-N 3.42Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.46Å
210Y98.6Very high98Very high84 Ų8467.5 Ų67.533%0.32933%0.325SS..Hα-helixtrans-62.2-45.7175.4-71-54000111.9W68 I202 D206 Y207 N212 Q213 M214W68-Y210 HydrophobicContact CH2-CD1 4.3Å; W68-Y210 HydrophobicContact CH2-CD2 4.06Å; W68-Y210 AromaticContact CH2-CE1 3.97Å; W68-Y210 HydrophobicContact CH2-CE1 3.97Å; W68-Y210 AromaticContact CH2-CE2 3.72Å; W68-Y210 HydrophobicContact CH2-CE2 3.72Å; W68-Y210 HydrophobicContact CH2-CG 4.35Å; W68-Y210 AromaticContact CH2-CZ 3.66Å; W68-Y210 HydrophobicContact CZ2-CD2 4.46Å; W68-Y210 AromaticContact CZ2-CE2 3.95Å; W68-Y210 HydrophobicContact CZ2-CE2 3.95Å; I202-Y210 HydrophobicContact CD1-CD2 3.96Å; I202-Y210 HydrophobicContact CD1-CE2 4.21Å; D206-Y210 WeakPolarHBondContact O-CD2 3.37Å; D206-Y210 PolarHBondContact O-N 3.43Å; Y207-Y210 PolarHBondContact O-N 3.3Å; Y210-N212 PolarHBondContact O-N 2.9Å; Y210-Q213 PolarHBondContact O-N 3.2Å; Y210-M214 HydrophobicContact CD1-CE 3.79Å; Y210-M214 HydrophobicContact CG-CE 4.15Å; Y210-M214 VanDerWaalsContact O-CB 3.31Å; Y210-M214 WeakPolarHBondContact O-CB 3.31Å; Y210-M214 VanDerWaalsContact O-CG 3.27Å; Y210-M214 WeakPolarHBondContact O-CG 3.45Å; Y210-M214 PolarHBondContact O-N 2.96Å
211L98.6Very high97.8Very high0 Ų072.3 Ų72.30%035%0.348CS..Hα-helixtrans-56.8-47.9177.2174.164.6000111.6Y42 Q149 L152 Y207 L208 Q213 M214 R215Y42-L211 WeakPolarHBondContact O-CD2 3.44Å; Q149-L211 HydrophobicContact CB-CD1 4.19Å; Q149-L211 HydrophobicContact CG-CD1 4.43Å; L152-L211 HydrophobicContact CD1-CB 4.33Å; L152-L211 HydrophobicContact CD1-CD1 4.07Å; L152-L211 HydrophobicContact CD2-CD1 4.32Å; Y207-L211 HydrophobicContact CE1-CD2 4.34Å; Y207-L211 WeakPolarHBondContact O-CB 3.14Å; Y207-L211 PolarHBondContact O-N 2.8Å; L208-L211 HydrophobicContact CD2-CD2 4.43Å; L211-Q213 PolarHBondContact O-N 3.17Å; L211-M214 PolarHBondContact O-N 3.24Å; L211-R215 VanDerWaalsContact O-CB 3.26Å; L211-R215 WeakPolarHBondContact O-CB 3.46Å; L211-R215 WeakPolarHBondContact O-CG 3.32Å; L211-R215 PolarHBondContact O-N 2.85Å
212N98Very high97.7Very high81 Ų8172.3 Ų72.343%0.43335%0.351SS..Hα-helixtrans-61.4-32.6180-78.8-30.3000112.9L208 N209 Y210L208-N212 WeakPolarHBondContact O-CB 3.34Å; L208-N212 VanDerWaalsContact O-CG 3.28Å; L208-N212 PolarHBondContact O-N 2.81Å; L208-N212 PolarHBondContact O-ND2 3.42Å; N209-N212 PolarHBondContact O-N 3.42Å; Y210-N212 PolarHBondContact O-N 2.9Å
213Q98.3Very high97.7Very high131 Ų13171.3 Ų71.361%0.61235%0.346SS*.Hα-helixtrans-79.8-50.6176.3-65.817322.500111.6N209 Y210 L211 R215 L216N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.46Å; Y210-Q213 PolarHBondContact O-N 3.2Å; L211-Q213 PolarHBondContact O-N 3.17Å; Q213-R215 PolarHBondContact O-N 3.03Å; Q213-L216 PolarHBondContact O-N 3.2Å
214M98.5Very high97.6Very high21 Ų2170.7 Ų70.710%0.10334%0.336CS..Hα-helixtrans-72.2-29.8-171.6-66.6175.5-176.900113W68 G150 T151 L152 K183 L184 Y210 L211 L216 G217W68-M214 HydrophobicContact CZ3-CE 4.09Å; G150-M214 WeakPolarHBondContact CA-O 3.13Å; T151-M214 PolarHBondContact N-O 3.38Å; T151-M214 WeakPolarHBondContact OG1-CB 3.2Å; T151-M214 PolarHBondContact OG1-O 3.24Å; L152-M214 HydrophobicContact CB-CB 3.91Å; L152-M214 HydrophobicContact CB-SD 4.31Å; L152-M214 HydrophobicContact CD1-SD 4.34Å; K183-M214 HydrophobicContact CB-CE 3.77Å; K183-M214 HydrophobicContact CB-CG 4.48Å; K183-M214 HydrophobicContact CB-SD 3.89Å; L184-M214 HydrophobicContact CB-CE 4.16Å; L184-M214 HydrophobicContact CB-SD 3.58Å; L184-M214 VanDerWaalsContact CB-SD 3.58Å; L184-M214 HydrophobicContact CD2-SD 4.2Å; Y210-M214 HydrophobicContact CD1-CE 3.79Å; Y210-M214 HydrophobicContact CG-CE 4.15Å; Y210-M214 VanDerWaalsContact O-CB 3.31Å; Y210-M214 WeakPolarHBondContact O-CB 3.31Å; Y210-M214 VanDerWaalsContact O-CG 3.27Å; Y210-M214 WeakPolarHBondContact O-CG 3.45Å; Y210-M214 PolarHBondContact O-N 2.96Å; L211-M214 PolarHBondContact O-N 3.24Å; M214-L216 PolarHBondContact O-N 3.03Å; M214-L216 VanDerWaalsContact O-N 3.17Å; M214-G217 PolarHBondContact O-N 3.01Å
215R97.6Very high97.6Very high85 Ų8573.7 Ų73.732%0.32136%0.356SS..THydrogen-bonded Turntrans-63.1-19.7174.472.6-178.6-96.3-168.5-5.7114Q43 Q149 L211 Q213Q43-R215 PolarHBondContact O-NH1 2.72Å; Q149-R215 HydrophobicContact CB-CB 4.46Å; Q149-R215 WeakPolarHBondContact O-CA 3.38Å; L211-R215 VanDerWaalsContact O-CB 3.26Å; L211-R215 WeakPolarHBondContact O-CB 3.46Å; L211-R215 WeakPolarHBondContact O-CG 3.32Å; L211-R215 PolarHBondContact O-N 2.85Å; Q213-R215 PolarHBondContact O-N 3.03Å
216L97Very high97.6Very high135 Ų13568.5 Ų68.571%0.70735%0.345SS*.THydrogen-bonded Turntrans-89-17.8175.8-57.6177.3000111.9Q213 M214Q213-L216 PolarHBondContact O-N 3.2Å; M214-L216 PolarHBondContact O-N 3.03Å; M214-L216 VanDerWaalsContact O-N 3.17Å
217G96.6Very high97.6Very high24 Ų2468.9 Ų68.925%0.24734%0.342CS..  trans-66.3151.7172.400000111.4G150 M214G150-G217 CarbonylContact C-O 3.41Å; G150-G217 WeakPolarHBondContact CA-O 3.4Å; M214-G217 PolarHBondContact O-N 3.01Å
218R95Very high97.6Very high206 Ų20671.7 Ų71.778%0.77736%0.362SS*.  trans-126.7127-179.4-60-179.475.8132.40.9109.7
219L97.6Very high97.6Very high16 Ų1672.3 Ų72.38%0.08437%0.365CS..  trans-74.5164.1161.4-56.7173.2000108.9T151 F177 H180 F223 W224T151-L219 HydrophobicContact CG2-CD2 4.17Å; F177-L219 HydrophobicContact CD2-CD1 4.12Å; F177-L219 HydrophobicContact CE2-CD1 3.81Å; F177-L219 HydrophobicContact CE2-CD2 4.37Å; H180-L219 VanDerWaalsContact O-CD2 3.24Å; H180-L219 WeakPolarHBondContact O-CD2 3.43Å; L219-F223 HydrophobicContact CB-CB 3.89Å; L219-F223 HydrophobicContact CB-CD1 4.23Å; L219-F223 HydrophobicContact CB-CG 4Å; L219-F223 HydrophobicContact CD1-CD1 3.33Å; L219-F223 HydrophobicContact CD1-CE1 3.58Å; L219-F223 HydrophobicContact CD1-CG 3.9Å; L219-F223 HydrophobicContact CD1-CZ 4.3Å; L219-F223 HydrophobicContact CG-CD1 4.36Å; L219-F223 HydrophobicContact CG-CG 4.49Å; L219-W224 HydrophobicContact CD1-CZ2 3.87Å
220P97.4Very high97.5Very high56 Ų5670.7 Ų70.736%0.36435%0.354SS..  trans-53.5144.7172.4-29.540000112H180 N222 F223H180-P220 HydrophobicContact CB-CG 4.43Å; P220-N222 WeakPolarHBondContact CB-OD1 3.36Å; P220-N222 PolarHBondContact O-N 3.37Å; P220-F223 WeakPolarHBondContact O-CB 3.45Å; P220-F223 PolarHBondContact O-N 2.86Å
221N94.1Very high97.4Very high150 Ų15069.5 Ų69.580%0.80236%0.358SS*.THydrogen-bonded Turntrans-59.2-25.2-173.4-69.7-25.3000113.7
222N95.9Very high96.8Very high106 Ų10672.3 Ų72.357%0.56738%0.376SS*.THydrogen-bonded Turntrans-93.73177.664.6-23000113.6P220 W224 V225 R227P220-N222 WeakPolarHBondContact CB-OD1 3.36Å; P220-N222 PolarHBondContact O-N 3.37Å; N222-W224 VanDerWaalsContact C-N 3.25Å; N222-W224 PolarHBondContact O-N 3.29Å; N222-V225 HydrophobicContact CB-CG2 4.17Å; N222-V225 WeakPolarHBondContact O-CB 3.36Å; N222-V225 PolarHBondContact O-N 2.92Å; N222-V225 VanDerWaalsContact O-N 3.12Å; N222-R227 PolarHBondContact O-NH1 3.15Å
223F98.2Very high96Very high1 Ų176.4 Ų76.40%0.00439%0.393CS..THydrogen-bonded Turntrans-62.5-30-174.9-178.7-92.7000113.3M91 F173 F177 H180 L219 P220 R227M91-F223 HydrophobicContact CE-CE1 4.14Å; M91-F223 HydrophobicContact CE-CZ 4.19Å; F173-F223 HydrophobicContact CE2-CZ 4.5Å; F177-F223 HydrophobicContact CB-CZ 4.43Å; F177-F223 HydrophobicContact CD2-CE1 4.23Å; F177-F223 HydrophobicContact CD2-CZ 4.05Å; H180-F223 HydrophobicContact CB-CD2 3.53Å; H180-F223 HydrophobicContact CB-CE2 3.66Å; H180-F223 AromaticContact CG-CD2 3.55Å; H180-F223 AromaticContact CG-CE2 3.73Å; H180-F223 AromaticContact ND1-CD2 3.86Å; H180-F223 AromaticContact ND1-CE2 3.65Å; L219-F223 HydrophobicContact CB-CB 3.89Å; L219-F223 HydrophobicContact CB-CD1 4.23Å; L219-F223 HydrophobicContact CB-CG 4Å; L219-F223 HydrophobicContact CD1-CD1 3.33Å; L219-F223 HydrophobicContact CD1-CE1 3.58Å; L219-F223 HydrophobicContact CD1-CG 3.9Å; L219-F223 HydrophobicContact CD1-CZ 4.3Å; L219-F223 HydrophobicContact CG-CD1 4.36Å; L219-F223 HydrophobicContact CG-CG 4.49Å; P220-F223 WeakPolarHBondContact O-CB 3.45Å; P220-F223 PolarHBondContact O-N 2.86Å; F223-R227 VanDerWaalsContact C-NH1 3.34Å; F223-R227 VanDerWaalsContact O-CZ 3.26Å; F223-R227 PolarHBondContact O-NH1 3.03Å; F223-R227 PolarHBondContact O-NH2 3.5Å
224W98.1Very high94.3Very high49 Ų4983.1 Ų83.119%0.18642%0.424CS..THydrogen-bonded Turntrans-101.17.8178.4-61.2118.9000113.5M91 N92 H130 A148 F153 F173 L219 N222M91-W224 HydrophobicContact CE-CE3 4.12Å; M91-W224 HydrophobicContact CE-CZ3 4.07Å; M91-W224 HydrophobicContact SD-CE3 3.62Å; M91-W224 HydrophobicContact SD-CZ3 4.14Å; N92-W224 PolarHBondContact ND2-O 3.06Å; H130-W224 HydrophobicContact CB-CD2 4.39Å; H130-W224 HydrophobicContact CB-CE3 3.59Å; H130-W224 HydrophobicContact CB-CH2 4.4Å; H130-W224 HydrophobicContact CB-CZ3 3.59Å; H130-W224 AromaticContact CD2-CD2 3.31Å; H130-W224 AromaticContact CD2-CE2 3.55Å; H130-W224 AromaticContact CD2-CE3 3.39Å; H130-W224 AromaticContact CD2-CG 3.85Å; H130-W224 AromaticContact CD2-CH2 3.93Å; H130-W224 AromaticContact CD2-CZ2 3.87Å; H130-W224 AromaticContact CD2-CZ3 3.7Å; H130-W224 VanDerWaalsContact CE1-CB 3.45Å; H130-W224 WeakPolarHBondContact CE1-CB 3.5Å; H130-W224 AromaticContact CE1-CD2 3.75Å; H130-W224 AromaticContact CE1-CG 3.46Å; H130-W224 VanDerWaalsContact CE1-CG 3.46Å; H130-W224 AromaticContact CG-CD2 3.58Å; H130-W224 AromaticContact CG-CE3 3.25Å; H130-W224 AromaticContact CG-CZ3 3.67Å; H130-W224 AromaticContact ND1-CD2 3.85Å; H130-W224 AromaticContact ND1-CE3 3.77Å; H130-W224 AromaticContact ND1-CG 3.9Å; H130-W224 AromaticContact NE2-CD1 3.64Å; H130-W224 AromaticContact NE2-CD2 3.42Å; H130-W224 AromaticContact NE2-CE2 3.68Å; H130-W224 AromaticContact NE2-CE3 3.96Å; H130-W224 AromaticContact NE2-CG 3.41Å; H130-W224 AromaticContact NE2-NE1 3.79Å; A148-W224 HydrophobicContact CB-CZ2 3.65Å; F153-W224 AromaticContact CD2-CH2 3.64Å; F153-W224 HydrophobicContact CD2-CH2 3.64Å; F153-W224 HydrophobicContact CD2-CZ2 4.21Å; F153-W224 AromaticContact CE2-CH2 3.76Å; F153-W224 HydrophobicContact CE2-CH2 3.76Å; F153-W224 HydrophobicContact CE2-CZ3 4.26Å; F173-W224 AromaticContact CE2-CH2 3.77Å; F173-W224 HydrophobicContact CE2-CH2 3.77Å; F173-W224 AromaticContact CE2-CZ3 3.89Å; F173-W224 HydrophobicContact CE2-CZ3 3.89Å; F173-W224 AromaticContact CZ-CH2 3.93Å; F173-W224 HydrophobicContact CZ-CH2 3.93Å; F173-W224 HydrophobicContact CZ-CZ3 4.46Å; L219-W224 HydrophobicContact CD1-CZ2 3.87Å; N222-W224 VanDerWaalsContact C-N 3.25Å; N222-W224 PolarHBondContact O-N 3.29Å
225V97.7Very high94.1Very high82 Ų8286.2 Ų86.250%0.49744%0.44SS..SBendtrans-69.9136.7175.9174.30000109.2N222 R227N222-V225 HydrophobicContact CB-CG2 4.17Å; N222-V225 WeakPolarHBondContact O-CB 3.36Å; N222-V225 PolarHBondContact O-N 2.92Å; N222-V225 VanDerWaalsContact O-N 3.12Å; V225-R227 PolarHBondContact O-N 2.85Å; V225-R227 VanDerWaalsContact O-N 3.17Å; V225-R227 PolarHBondContact O-NH1 3.19Å; V225-R227 VanDerWaalsContact O-NH1 3.14Å
226P98.6Very high93.9Very high66 Ų6686.3 Ų86.343%0.42945%0.446SS..SBendtrans-52.2121.7178.7-27.433.8000112.4M91 N92 Y93M91-P226 VanDerWaalsContact O-CA 3.24Å; M91-P226 WeakPolarHBondContact O-CA 3.47Å; N92-P226 HydrophobicContact CB-CB 4.36Å; N92-P226 HydrophobicContact CB-CG 3.95Å; Y93-P226 HydrophobicContact CD2-CB 3.99Å; Y93-P226 HydrophobicContact CE2-CB 3.82Å
227R98.2Very high93.8Very high59 Ų5983.6 Ų83.622%0.22343%0.432CS..EExtended strand (participates in β ladder)trans-153.9165.517768.3-179.4175.8-73-0112.4T90 M91 E176 N222 F223 V225 L229T90-R227 WeakPolarHBondContact CA-O 3.39Å; M91-R227 PolarHBondContact N-O 2.96Å; M91-R227 PolarHBondContact O-N 3.14Å; E176-R227 IonicContact OE2-NE 3.06Å; E176-R227 IonicContact OE2-NH2 2.76Å; E176-R227 PolarHBondContact OE2-NH2 2.52Å; N222-R227 PolarHBondContact O-NH1 3.15Å; F223-R227 VanDerWaalsContact C-NH1 3.34Å; F223-R227 VanDerWaalsContact O-CZ 3.26Å; F223-R227 PolarHBondContact O-NH1 3.03Å; F223-R227 PolarHBondContact O-NH2 3.5Å; V225-R227 PolarHBondContact O-N 2.85Å; V225-R227 VanDerWaalsContact O-N 3.17Å; V225-R227 PolarHBondContact O-NH1 3.19Å; V225-R227 VanDerWaalsContact O-NH1 3.14Å; R227-L229 HydrophobicContact CG-CD2 3.76Å
228C98.2Very high93.6Very high61 Ų6187.1 Ų87.141%0.41244%0.443SS..EExtended strand (participates in β ladder)trans-80.2130.6164.8-1730000109.3T90 F230 S231T90-C228 HydrophobicContact CG2-CB 4.4Å; C228-F230 PolarHBondContact SG-O 2.9Å; C228-S231 PolarHBondContact SG-OG 3.12Å
229L98.1Very high93.5Very high26 Ų2679.6 Ų79.614%0.13642%0.422CS..EExtended strand (participates in β ladder)trans-99.8-35.2178.5-55.2-179.7000111.7V89 M91 I132 V172 E176 R227V89-L229 HydrophobicContact CG1-CD1 4.46Å; V89-L229 PolarHBondContact O-N 3.34Å; M91-L229 HydrophobicContact CB-CD1 4.07Å; M91-L229 HydrophobicContact CB-CD2 4.22Å; M91-L229 HydrophobicContact CB-CG 4.16Å; M91-L229 HydrophobicContact CE-CD1 3.96Å; M91-L229 HydrophobicContact CE-CD2 4.08Å; I132-L229 HydrophobicContact CD1-CD1 4Å; V172-L229 HydrophobicContact CG1-CB 3.59Å; V172-L229 HydrophobicContact CG1-CD1 4.12Å; E176-L229 HydrophobicContact CG-CB 4.2Å; E176-L229 HydrophobicContact CG-CD1 4.25Å; E176-L229 HydrophobicContact CG-CD2 4Å; E176-L229 HydrophobicContact CG-CG 4.37Å; R227-L229 HydrophobicContact CG-CD2 3.76Å
230F98Very high93.3Very high45 Ų4583.9 Ų83.920%0.19744%0.444CS..EExtended strand (participates in β ladder)trans-147142.5-177.4174.4-88.2000109.7H82 Y87 R88 V89 V172 C228H82-F230 AromaticContact CE1-CD2 3.82Å; H82-F230 AromaticContact CE1-CE2 3.43Å; H82-F230 VanDerWaalsContact CE1-CE2 3.43Å; H82-F230 WeakPolarHBondContact CE1-CE2 3.28Å; H82-F230 AromaticContact CE1-CZ 3.61Å; H82-F230 AromaticContact NE2-CE2 3.74Å; Y87-F230 VanDerWaalsContact O-CD1 3.26Å; Y87-F230 WeakPolarHBondContact O-CD1 3.4Å; Y87-F230 WeakPolarHBondContact O-CE1 3.36Å; R88-F230 CarbonylContact C-O 3.23Å; R88-F230 WeakPolarHBondContact CA-O 3.34Å; V89-F230 HydrophobicContact CB-CB 4Å; V89-F230 HydrophobicContact CG2-CB 4.12Å; V89-F230 HydrophobicContact CG2-CD1 4.12Å; V89-F230 PolarHBondContact N-O 3.29Å; V89-F230 PolarHBondContact O-N 2.87Å; V172-F230 HydrophobicContact CB-CB 4.49Å; V172-F230 HydrophobicContact CG1-CB 3.79Å; V172-F230 HydrophobicContact CG2-CB 3.83Å; V172-F230 HydrophobicContact CG2-CD2 4.31Å; V172-F230 HydrophobicContact CG2-CG 4.01Å; C228-F230 PolarHBondContact SG-O 2.9Å
231S95.3Very high93Very high60 Ų6085.9 Ų85.942%0.4245%0.45SS..  trans-135.7150.2171.6-74.30000109.6C228C228-S231 PolarHBondContact SG-OG 3.12Å
232P87.2Confident92.9Very high58 Ų5880.9 Ų80.938%0.37742%0.423SS..  trans-55.3143.4172.9-22.234.5000110.4S85 Y87S85-P232 WeakPolarHBondContact O-CB 3.46Å; Y87-P232 VanDerWaalsContact O-CD 3.27Å; Y87-P232 WeakPolarHBondContact O-CD 2.84Å; Y87-P232 WeakPolarHBondContact O-CG 3.47Å
233Q79.5Confident92.6Very high167 Ų16778.8 Ų78.878%0.7841%0.411SS*.  trans-72.1135.3169-64.9179.4-13.600108.6
234E64.3Low92.1Very high272 Ų27285.9 Ų85.9100%1.27145%0.448SS*.  trans-61.40170.2-69.1-177.5174.800112.2

Retrieved 234 of 234 residues in 75.3 ms (Link to these results)

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