A0A077ZLD1_TRITR Loading...

Serpin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 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
1M60.7Low87.5Confident107 Ų10728.5 Ų28.553%0.52716%0.159SC..  0153.90-79.7166.2-137.700111V5 I6 E57M1-V5 HydrophobicContact CB-CB 3.91Å; M1-V5 HydrophobicContact CB-CG1 4.44Å; M1-V5 HydrophobicContact CE-CG1 4.4Å; M1-V5 HydrophobicContact CG-CB 3.6Å; M1-V5 HydrophobicContact CG-CG1 3.59Å; M1-V5 HydrophobicContact CG-CG2 4.37Å; M1-V5 HydrophobicContact SD-CB 3.7Å; M1-V5 HydrophobicContact SD-CG1 3.34Å; M1-V5 WeakPolarHBondContact SD-CG1 3.35Å; M1-I6 HydrophobicContact CB-CD1 4.29Å; M1-I6 HydrophobicContact CB-CG1 3.72Å; M1-I6 HydrophobicContact SD-CG1 4.17Å; M1-E57 WeakPolarHBondContact CA-OE1 3.45Å; M1-E57 VanDerWaalsContact CB-CD 3.47Å; M1-E57 HydrophobicContact CB-CG 4.47Å; M1-E57 WeakPolarHBondContact CB-OE1 3.49Å; M1-E57 VanDerWaalsContact CE-OE1 3.26Å; M1-E57 WeakPolarHBondContact CE-OE1 3.46Å; M1-E57 WeakPolarHBondContact CG-OE1 3.39Å; M1-E57 PolarHBondContact N-OE1 2.98Å; M1-E57 PolarHBondContact N-OE2 2.93Å; M1-E57 HydrophobicContact SD-CG 4.46Å; M1-E57 VanDerWaalsContact SD-OE1 3.33Å
2S80.4Confident88.3Confident68 Ų6826.6 Ų26.648%0.47615%0.149SC..  trans-70.616715837.60000111.2D4 V5 I6S2-D4 VanDerWaalsContact C-N 3.28Å; S2-D4 WeakPolarHBondContact CB-OD1 3.33Å; S2-D4 PolarHBondContact O-N 2.77Å; S2-D4 PolarHBondContact OG-OD1 2.81Å; S2-V5 PolarHBondContact O-N 3.23Å; S2-I6 WeakPolarHBondContact O-CG1 3.49Å; S2-I6 PolarHBondContact O-N 3.02Å
3L80.7Confident88.9Confident22 Ų2229.1 Ų29.112%0.11515%0.154CC..Hα-helixtrans-63.3-33.7-174.1176.467000113.2I6 T7 L68 M69 A72 I364L3-I6 PolarHBondContact O-N 3.25Å; L3-T7 WeakPolarHBondContact O-CB 3.39Å; L3-T7 PolarHBondContact O-N 2.9Å; L3-T7 PolarHBondContact O-OG1 3.15Å; L3-L68 HydrophobicContact CB-CD2 4.48Å; L3-L68 HydrophobicContact CD1-CB 4.44Å; L3-M69 HydrophobicContact CD1-SD 4.26Å; L3-A72 HydrophobicContact CD2-CB 3.47Å; L3-A72 VanDerWaalsContact CD2-CB 3.47Å; L3-I364 HydrophobicContact CD2-CD1 3.97Å; L3-I364 HydrophobicContact CD2-CG1 4.21Å
4D87.5Confident89.4Confident44 Ų4427 Ų2724%0.23514%0.143CC..Hα-helixtrans-55.7-54.417452.7-5.8000112S2 I6 T7 A8 L250 G363S2-D4 VanDerWaalsContact C-N 3.28Å; S2-D4 WeakPolarHBondContact CB-OD1 3.33Å; S2-D4 PolarHBondContact O-N 2.77Å; S2-D4 PolarHBondContact OG-OD1 2.81Å; D4-I6 VanDerWaalsContact C-N 3.34Å; D4-I6 PolarHBondContact O-N 3.45Å; D4-T7 PolarHBondContact O-N 3.15Å; D4-A8 WeakPolarHBondContact O-CB 3.16Å; D4-A8 PolarHBondContact O-N 3.28Å; D4-L250 HydrophobicContact CB-CD1 4.12Å; D4-G363 WeakPolarHBondContact CA-O 3.25Å; D4-G363 VanDerWaalsContact CB-O 3.32Å; D4-G363 WeakPolarHBondContact CB-O 3.49Å
5V90.9Very high89.8Confident22 Ų2226.3 Ų26.313%0.13314%0.138CC..Hα-helixtrans-67.2-36.7-179.4-166.70000110.7M1 S2 T7 A8 D9 A246 L250M1-V5 HydrophobicContact CB-CB 3.91Å; M1-V5 HydrophobicContact CB-CG1 4.44Å; M1-V5 HydrophobicContact CE-CG1 4.4Å; M1-V5 HydrophobicContact CG-CB 3.6Å; M1-V5 HydrophobicContact CG-CG1 3.59Å; M1-V5 HydrophobicContact CG-CG2 4.37Å; M1-V5 HydrophobicContact SD-CB 3.7Å; M1-V5 HydrophobicContact SD-CG1 3.34Å; M1-V5 WeakPolarHBondContact SD-CG1 3.35Å; S2-V5 PolarHBondContact O-N 3.23Å; V5-T7 PolarHBondContact O-N 3.06Å; V5-A8 PolarHBondContact O-N 2.97Å; V5-D9 VanDerWaalsContact O-CB 3.22Å; V5-D9 WeakPolarHBondContact O-CB 3.16Å; V5-D9 PolarHBondContact O-N 3.47Å; V5-A246 HydrophobicContact CG1-CB 3.61Å; V5-L250 HydrophobicContact CB-CD1 4.32Å; V5-L250 HydrophobicContact CG2-CD1 3.85Å
6I89.7Confident90.2Very high3 Ų330.2 Ų30.22%0.01516%0.155CC..Hα-helixtrans-60.8-46.7174-68.8172.7000110.8M1 S2 L3 D4 F10 L55 F56 E57 L60M1-I6 HydrophobicContact CB-CD1 4.29Å; M1-I6 HydrophobicContact CB-CG1 3.72Å; M1-I6 HydrophobicContact SD-CG1 4.17Å; S2-I6 WeakPolarHBondContact O-CG1 3.49Å; S2-I6 PolarHBondContact O-N 3.02Å; L3-I6 PolarHBondContact O-N 3.25Å; D4-I6 VanDerWaalsContact C-N 3.34Å; D4-I6 PolarHBondContact O-N 3.45Å; I6-F10 VanDerWaalsContact O-CB 3.31Å; I6-F10 WeakPolarHBondContact O-CB 3.38Å; I6-F10 PolarHBondContact O-N 3.04Å; I6-L55 WeakPolarHBondContact CG2-O 3.44Å; I6-F56 HydrophobicContact CG2-CD1 4.42Å; I6-E57 HydrophobicContact CD1-CG 4.05Å; I6-E57 HydrophobicContact CG1-CG 3.99Å; I6-L60 HydrophobicContact CD1-CD1 3.54Å
7T90.8Very high90.5Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-68.3-40.6-178.7-54.40000110.7L3 D4 V5 A11 F30 I364L3-T7 WeakPolarHBondContact O-CB 3.39Å; L3-T7 PolarHBondContact O-N 2.9Å; L3-T7 PolarHBondContact O-OG1 3.15Å; D4-T7 PolarHBondContact O-N 3.15Å; V5-T7 PolarHBondContact O-N 3.06Å; T7-A11 WeakPolarHBondContact O-CB 3.39Å; T7-A11 PolarHBondContact O-N 3.37Å; T7-F30 HydrophobicContact CG2-CB 4.4Å; T7-I364 HydrophobicContact CG2-CG2 4.38Å
8A95.1Very high90.8Very high0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-67.4-41177.200000112.7D4 V5 A11 L12 A246 L250 I365D4-A8 WeakPolarHBondContact O-CB 3.16Å; D4-A8 PolarHBondContact O-N 3.28Å; V5-A8 PolarHBondContact O-N 2.97Å; A8-A11 WeakPolarHBondContact O-CB 3.14Å; A8-A11 PolarHBondContact O-N 2.92Å; A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.91Å; A8-A246 HydrophobicContact CB-CB 3.9Å; A8-L250 HydrophobicContact CB-CD1 4.16Å; A8-L250 HydrophobicContact CB-CD2 4.32Å; A8-L250 HydrophobicContact CB-CG 4.13Å; A8-I365 HydrophobicContact CB-CD1 3.79Å
9D95.4Very high90.9Very high47 Ų4731.3 Ų31.325%0.25117%0.166SC..Hα-helixtrans-63.9-47.8174.7176.471.1000111.2V5 A11 L12 R13 A246V5-D9 VanDerWaalsContact O-CB 3.22Å; V5-D9 WeakPolarHBondContact O-CB 3.16Å; V5-D9 PolarHBondContact O-N 3.47Å; D9-A11 VanDerWaalsContact C-N 3.28Å; D9-A11 PolarHBondContact O-N 3.35Å; D9-L12 PolarHBondContact O-N 3.2Å; D9-R13 WeakPolarHBondContact O-CB 3.44Å; D9-R13 WeakPolarHBondContact O-CG 3.5Å; D9-R13 PolarHBondContact O-N 2.75Å; D9-R13 IonicContact OD1-NE 3.38Å; D9-R13 IonicContact OD2-CZ 3.77Å; D9-R13 IonicContact OD2-NE 2.69Å; D9-R13 PolarHBondContact OD2-NE 3.04Å; D9-R13 IonicContact OD2-NH2 3.46Å; D9-R13 PolarHBondContact OD2-NH2 3.27Å; D9-A246 HydrophobicContact CB-CB 3.82Å
10F95.3Very high90.9Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-60-40.2175178.7-108.7000111.8I6 T14 P29 I32 L33 L36 L55 L283I6-F10 VanDerWaalsContact O-CB 3.31Å; I6-F10 WeakPolarHBondContact O-CB 3.38Å; I6-F10 PolarHBondContact O-N 3.04Å; F10-T14 VanDerWaalsContact CE2-OG1 3.32Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.49Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.4Å; F10-T14 VanDerWaalsContact O-CB 3.23Å; F10-T14 WeakPolarHBondContact O-CB 3.46Å; F10-T14 PolarHBondContact O-N 3.22Å; F10-T14 PolarHBondContact O-OG1 3.14Å; F10-P29 HydrophobicContact CD1-CB 4.12Å; F10-P29 HydrophobicContact CE1-CB 4.43Å; F10-P29 WeakPolarHBondContact CE1-O 3.38Å; F10-I32 HydrophobicContact CE1-CB 4.13Å; F10-I32 HydrophobicContact CE1-CG2 3.79Å; F10-I32 HydrophobicContact CZ-CB 4.46Å; F10-I32 HydrophobicContact CZ-CG2 3.63Å; F10-L33 HydrophobicContact CD1-CB 4.26Å; F10-L33 HydrophobicContact CD1-CD1 4.39Å; F10-L33 HydrophobicContact CE1-CB 4.24Å; F10-L36 HydrophobicContact CE2-CD1 4.42Å; F10-L36 HydrophobicContact CZ-CD1 3.95Å; F10-L55 HydrophobicContact CD2-CD2 4.03Å; F10-L55 HydrophobicContact CE2-CD2 3.52Å; F10-L55 HydrophobicContact CZ-CD2 4.19Å; F10-L283 HydrophobicContact CE2-CD1 4.3Å
11A96Very high90.6Very high0 Ų035.4 Ų35.40%020%0.199CC..Hα-helixtrans-60.3-51.5176.800000112.1T7 A8 D9 T14 Y15 M27 P29 I368T7-A11 WeakPolarHBondContact O-CB 3.39Å; T7-A11 PolarHBondContact O-N 3.37Å; A8-A11 WeakPolarHBondContact O-CB 3.14Å; A8-A11 PolarHBondContact O-N 2.92Å; D9-A11 VanDerWaalsContact C-N 3.28Å; D9-A11 PolarHBondContact O-N 3.35Å; A11-T14 PolarHBondContact O-N 3.41Å; A11-Y15 VanDerWaalsContact O-CB 3.31Å; A11-Y15 WeakPolarHBondContact O-CB 3.46Å; A11-Y15 PolarHBondContact O-N 3.02Å; A11-M27 WeakPolarHBondContact O-CE 3.29Å; A11-P29 HydrophobicContact CB-CB 3.55Å; A11-P29 HydrophobicContact CB-CG 3.54Å; A11-I368 HydrophobicContact CB-CD1 4.49Å; A11-I368 HydrophobicContact CB-CG2 4.25Å
12L96.9Very high91.9Very high6 Ų633.6 Ų33.63%0.03119%0.192CC..Hα-helixtrans-66.2-44.5-179.1-71.8175.2000112A8 D9 T14 Y15 H16 M241 L244 L249 I368A8-L12 WeakPolarHBondContact O-CG 3.41Å; A8-L12 PolarHBondContact O-N 2.91Å; D9-L12 PolarHBondContact O-N 3.2Å; L12-T14 VanDerWaalsContact C-N 3.35Å; L12-T14 PolarHBondContact O-N 3.23Å; L12-Y15 WeakPolarHBondContact O-CB 3.18Å; L12-Y15 PolarHBondContact O-N 2.98Å; L12-H16 PolarHBondContact O-CD2 2.75Å; L12-H16 PolarHBondContact O-N 2.76Å; L12-M241 HydrophobicContact CD2-CE 4.04Å; L12-L244 HydrophobicContact CD1-CB 4.43Å; L12-L249 HydrophobicContact CD1-CB 4.37Å; L12-L249 HydrophobicContact CD1-CD2 4.23Å; L12-L249 HydrophobicContact CD2-CD2 4.1Å; L12-L249 HydrophobicContact CG-CD2 4.13Å; L12-I368 HydrophobicContact CD2-CD1 4.44Å
13R96.2Very high92.4Very high59 Ų5936.2 Ų36.222%0.22320%0.196CC..Hα-helixtrans-61.6-44176.7-71.9-170.2-71.3113.5-0.9111.8D9 Y15 H16 E17 K54 L283D9-R13 WeakPolarHBondContact O-CB 3.44Å; D9-R13 WeakPolarHBondContact O-CG 3.5Å; D9-R13 PolarHBondContact O-N 2.75Å; D9-R13 IonicContact OD1-NE 3.38Å; D9-R13 IonicContact OD2-CZ 3.77Å; D9-R13 IonicContact OD2-NE 2.69Å; D9-R13 PolarHBondContact OD2-NE 3.04Å; D9-R13 IonicContact OD2-NH2 3.46Å; D9-R13 PolarHBondContact OD2-NH2 3.27Å; R13-Y15 VanDerWaalsContact C-N 3.34Å; R13-H16 PolarHBondContact O-N 2.79Å; R13-E17 WeakPolarHBondContact O-CG 3.3Å; R13-E17 PolarHBondContact O-N 2.81Å; R13-K54 VanDerWaalsContact CZ-O 3.23Å; R13-K54 PolarHBondContact NH1-O 3.32Å; R13-K54 PolarHBondContact NH2-O 3.29Å; R13-L283 HydrophobicContact CB-CD2 3.74Å
14T96.1Very high93.1Very high0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-66.6-38.1178-53.60000111.2F10 A11 L12 E17 A18 M27 V279 L283F10-T14 VanDerWaalsContact CE2-OG1 3.32Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.49Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.4Å; F10-T14 VanDerWaalsContact O-CB 3.23Å; F10-T14 WeakPolarHBondContact O-CB 3.46Å; F10-T14 PolarHBondContact O-N 3.22Å; F10-T14 PolarHBondContact O-OG1 3.14Å; A11-T14 PolarHBondContact O-N 3.41Å; L12-T14 VanDerWaalsContact C-N 3.35Å; L12-T14 PolarHBondContact O-N 3.23Å; T14-E17 PolarHBondContact O-N 3.35Å; T14-A18 WeakPolarHBondContact O-CB 3.1Å; T14-A18 PolarHBondContact O-N 3.33Å; T14-M27 HydrophobicContact CG2-CE 3.91Å; T14-M27 HydrophobicContact CG2-SD 3.42Å; T14-M27 WeakPolarHBondContact CG2-SD 3.49Å; T14-V279 HydrophobicContact CG2-CG1 3.78Å; T14-L283 HydrophobicContact CG2-CD1 4.45Å
15Y95.8Very high93.4Very high17 Ų1734.5 Ų34.57%0.06719%0.189CC..Hα-helixtrans-59.8-49.3173.7169.1-86000111A11 L12 R13 E17 A18 A19 F25 M241 D370A11-Y15 VanDerWaalsContact O-CB 3.31Å; A11-Y15 WeakPolarHBondContact O-CB 3.46Å; A11-Y15 PolarHBondContact O-N 3.02Å; L12-Y15 WeakPolarHBondContact O-CB 3.18Å; L12-Y15 PolarHBondContact O-N 2.98Å; R13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-E17 PolarHBondContact O-N 2.88Å; Y15-A18 PolarHBondContact O-N 2.99Å; Y15-A19 HydrophobicContact CD1-CB 4.34Å; Y15-A19 HydrophobicContact CD2-CB 3.86Å; Y15-A19 HydrophobicContact CE1-CB 4.03Å; Y15-A19 HydrophobicContact CE2-CB 3.52Å; Y15-A19 HydrophobicContact CG-CB 4.24Å; Y15-A19 VanDerWaalsContact O-CB 3.28Å; Y15-A19 WeakPolarHBondContact O-CB 3.4Å; Y15-A19 PolarHBondContact O-N 3.02Å; Y15-F25 AromaticContact CD2-CD1 3.63Å; Y15-F25 HydrophobicContact CD2-CD1 3.63Å; Y15-F25 AromaticContact CD2-CE1 3.9Å; Y15-F25 HydrophobicContact CD2-CE1 3.9Å; Y15-F25 AromaticContact CE2-CD1 3.94Å; Y15-F25 HydrophobicContact CE2-CD1 3.94Å; Y15-M241 HydrophobicContact CD1-CE 3.47Å; Y15-M241 VanDerWaalsContact CD1-CE 3.47Å; Y15-M241 HydrophobicContact CD2-CE 4.31Å; Y15-M241 HydrophobicContact CE1-CB 4.21Å; Y15-M241 HydrophobicContact CE1-CE 3.27Å; Y15-M241 HydrophobicContact CE1-CG 4.06Å; Y15-M241 HydrophobicContact CE1-SD 4.46Å; Y15-M241 HydrophobicContact CE2-CE 4.14Å; Y15-M241 HydrophobicContact CG-CE 4.02Å; Y15-D370 WeakPolarHBondContact CE2-OD2 3.48Å; Y15-D370 PolarHBondContact OH-OD2 3.16Å
16H95.8Very high93.5Very high88 Ų8833.5 Ų33.541%0.40718%0.183SC..Hα-helixtrans-60.4-32-179.5-74.8-54.7000113.3L12 R13 M241L12-H16 PolarHBondContact O-CD2 2.75Å; L12-H16 PolarHBondContact O-N 2.76Å; R13-H16 PolarHBondContact O-N 2.79Å; H16-M241 PolarHBondContact CE1-O 3.04Å; H16-M241 VanDerWaalsContact CE1-O 3.22Å; H16-M241 PolarHBondContact NE2-O 3.26Å
17E95.4Very high93.7Very high70 Ų7033.4 Ų33.433%0.32718%0.182SC..Hα-helixtrans-84.7-16.4177.4-67.9-56.6157.900114R13 T14 Y15 V279 R282 L283R13-E17 WeakPolarHBondContact O-CG 3.3Å; R13-E17 PolarHBondContact O-N 2.81Å; T14-E17 PolarHBondContact O-N 3.35Å; Y15-E17 PolarHBondContact O-N 2.88Å; E17-V279 HydrophobicContact CB-CG1 3.87Å; E17-R282 HydrophobicContact CB-CB 4.4Å; E17-R282 HydrophobicContact CG-CB 4.13Å; E17-R282 VanDerWaalsContact O-CZ 3.31Å; E17-R282 PolarHBondContact O-NE 3.28Å; E17-R282 VanDerWaalsContact O-NE 3.13Å; E17-R282 PolarHBondContact O-NH2 3.01Å; E17-R282 WeakPolarHBondContact OE2-CB 3.14Å; E17-R282 WeakPolarHBondContact OE2-CD 3.46Å; E17-R282 IonicContact OE2-NE 2.75Å; E17-R282 PolarHBondContact OE2-NE 3.42Å; E17-L283 HydrophobicContact CB-CD2 4.47Å; E17-L283 HydrophobicContact CB-CG 4.46Å; E17-L283 HydrophobicContact CG-CD2 3.71Å; E17-L283 HydrophobicContact CG-CG 4Å
18A95.3Very high94Very high14 Ų1433.4 Ų33.412%0.11618%0.182CC..Hα-helixtrans-111.6-38.5-171.900000114.1T14 Y15 F25 L274 V279T14-A18 WeakPolarHBondContact O-CB 3.1Å; T14-A18 PolarHBondContact O-N 3.33Å; Y15-A18 PolarHBondContact O-N 2.99Å; A18-F25 HydrophobicContact CB-CE1 4.17Å; A18-F25 HydrophobicContact CB-CE2 3.74Å; A18-F25 HydrophobicContact CB-CZ 3.42Å; A18-F25 VanDerWaalsContact CB-CZ 3.42Å; A18-L274 HydrophobicContact CB-CD1 3.88Å; A18-V279 HydrophobicContact CB-CG1 4.17Å; A18-V279 HydrophobicContact CB-CG2 3.96Å
19A93.1Very high94Very high27 Ų2733.4 Ų33.422%0.22318%0.182CC..PPolyproline II helixtrans-67.8139.3-173.300000111.4Y15 F25Y15-A19 HydrophobicContact CD1-CB 4.34Å; Y15-A19 HydrophobicContact CD2-CB 3.86Å; Y15-A19 HydrophobicContact CE1-CB 4.03Å; Y15-A19 HydrophobicContact CE2-CB 3.52Å; Y15-A19 HydrophobicContact CG-CB 4.24Å; Y15-A19 VanDerWaalsContact O-CB 3.28Å; Y15-A19 WeakPolarHBondContact O-CB 3.4Å; Y15-A19 PolarHBondContact O-N 3.02Å; A19-F25 HydrophobicContact CB-CB 4.13Å; A19-F25 HydrophobicContact CB-CD1 3.8Å; A19-F25 HydrophobicContact CB-CE1 4.44Å; A19-F25 HydrophobicContact CB-CG 3.95Å
20V90Very high93.9Very high91 Ų9131.1 Ų31.155%0.55217%0.17SC*.PPolyproline II helixtrans-102.2132.3176-177.60000108.3N22 H23V20-N22 PolarHBondContact O-N 3.01Å; V20-H23 HydrophobicContact CB-CB 4.37Å; V20-H23 PolarHBondContact O-N 2.7Å
21A86.4Confident93.8Very high59 Ų5931.1 Ų31.149%0.48817%0.17SC..THydrogen-bonded Turntrans-56.6132.2-177.200000111.8H23A21-H23 VanDerWaalsContact C-N 3.27Å; A21-H23 PolarHBondContact O-CD2 3.23Å; A21-H23 PolarHBondContact O-N 3.47Å
22N87.3Confident93.7Very high68 Ų6831.1 Ų31.136%0.36417%0.17SC..THydrogen-bonded Turntrans65.420.7178.2-49-38.4000115.6V20 K188 Y372V20-N22 PolarHBondContact O-N 3.01Å; N22-K188 HydrophobicContact CB-CD 4.48Å; N22-Y372 HydrophobicContact CB-CD1 4.35Å; N22-Y372 HydrophobicContact CB-CE1 4.26Å
23H91.6Very high93.6Very high123 Ų12330.9 Ų30.957%0.56917%0.169SC*.SBendtrans-124.4137.5172.1-71.5-91.2000109.6V20 A21 F25 Y372V20-H23 HydrophobicContact CB-CB 4.37Å; V20-H23 PolarHBondContact O-N 2.7Å; A21-H23 VanDerWaalsContact C-N 3.27Å; A21-H23 PolarHBondContact O-CD2 3.23Å; A21-H23 PolarHBondContact O-N 3.47Å; H23-F25 PolarHBondContact O-N 3.29Å; H23-Y372 WeakPolarHBondContact O-CD2 3.37Å
24S94.1Very high93.5Very high25 Ų2528.3 Ų28.318%0.17516%0.159CC..  trans-57.6126.8173.1-52.50000109.4D370 Y372 V374S24-D370 WeakPolarHBondContact CA-O 3.31Å; S24-Y372 PolarHBondContact OG-N 2.77Å; S24-V374 PolarHBondContact OG-O 3.33Å; S24-V374 VanDerWaalsContact OG-O 3.14Å
25F93.4Very high93.4Very high5 Ų528.4 Ų28.42%0.02216%0.16CC..EExtended strand (participates in β ladder)trans-131.8143.9177.8170.8-98.6000109.3Y15 A18 A19 H23 M27 H272 L274 G369 D370Y15-F25 AromaticContact CD2-CD1 3.63Å; Y15-F25 HydrophobicContact CD2-CD1 3.63Å; Y15-F25 AromaticContact CD2-CE1 3.9Å; Y15-F25 HydrophobicContact CD2-CE1 3.9Å; Y15-F25 AromaticContact CE2-CD1 3.94Å; Y15-F25 HydrophobicContact CE2-CD1 3.94Å; A18-F25 HydrophobicContact CB-CE1 4.17Å; A18-F25 HydrophobicContact CB-CE2 3.74Å; A18-F25 HydrophobicContact CB-CZ 3.42Å; A18-F25 VanDerWaalsContact CB-CZ 3.42Å; A19-F25 HydrophobicContact CB-CB 4.13Å; A19-F25 HydrophobicContact CB-CD1 3.8Å; A19-F25 HydrophobicContact CB-CE1 4.44Å; A19-F25 HydrophobicContact CB-CG 3.95Å; H23-F25 PolarHBondContact O-N 3.29Å; F25-M27 HydrophobicContact CE1-CB 4.42Å; F25-M27 HydrophobicContact CE1-CE 4.46Å; F25-M27 HydrophobicContact CE1-CG 3.94Å; F25-M27 HydrophobicContact CE1-SD 4.22Å; F25-M27 HydrophobicContact CZ-CB 4.04Å; F25-M27 HydrophobicContact CZ-CG 3.93Å; F25-M27 HydrophobicContact CZ-SD 4.04Å; F25-H272 AromaticContact CD2-CD2 3.91Å; F25-H272 AromaticContact CD2-CE1 3.72Å; F25-H272 AromaticContact CD2-NE2 3.49Å; F25-H272 WeakPolarHBondContact CD2-NE2 3.15Å; F25-H272 AromaticContact CE2-CE1 3.53Å; F25-H272 AromaticContact CE2-ND1 3.93Å; F25-H272 AromaticContact CE2-NE2 3.82Å; F25-L274 HydrophobicContact CE2-CD1 4.12Å; F25-G369 CarbonylContact O-C 3.32Å; F25-G369 WeakPolarHBondContact O-CA 3.24Å; F25-D370 PolarHBondContact N-O 3.41Å; F25-D370 PolarHBondContact N-OD1 3.23Å; F25-D370 PolarHBondContact O-N 2.8Å
26F93.6Very high93.5Very high2 Ų227.6 Ų27.61%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-155.2160.8167.680.1-66.6000111.2L270 H272 A314 I316 F355 F367 I368F26-L270 HydrophobicContact CD1-CB 3.52Å; F26-L270 HydrophobicContact CD1-CD1 4.1Å; F26-L270 HydrophobicContact CD1-CG 4.43Å; F26-L270 HydrophobicContact CE1-CB 3.29Å; F26-L270 WeakPolarHBondContact CE1-O 3.39Å; F26-L270 HydrophobicContact CG-CB 4.35Å; F26-L270 HydrophobicContact CG-CD1 4.47Å; F26-L270 VanDerWaalsContact CZ-C 3.5Å; F26-L270 HydrophobicContact CZ-CB 3.95Å; F26-L270 WeakPolarHBondContact CZ-O 3.48Å; F26-H272 HydrophobicContact CD1-CB 3.68Å; F26-H272 HydrophobicContact CE1-CB 3.38Å; F26-H272 HydrophobicContact CZ-CB 4.22Å; F26-A314 HydrophobicContact CD2-CB 4.03Å; F26-A314 HydrophobicContact CE2-CB 3.4Å; F26-A314 VanDerWaalsContact CE2-CB 3.4Å; F26-A314 HydrophobicContact CZ-CB 3.83Å; F26-A314 WeakPolarHBondContact CZ-O 3.17Å; F26-I316 HydrophobicContact CD2-CB 4.41Å; F26-I316 HydrophobicContact CD2-CG2 3.75Å; F26-I316 HydrophobicContact CE1-CG2 4.5Å; F26-I316 HydrophobicContact CE2-CB 4Å; F26-I316 HydrophobicContact CE2-CG2 3.56Å; F26-I316 HydrophobicContact CG-CG2 4.28Å; F26-I316 HydrophobicContact CZ-CG2 3.97Å; F26-F355 HydrophobicContact CB-CE2 4.31Å; F26-F355 HydrophobicContact CB-CZ 3.78Å; F26-F355 HydrophobicContact CG-CZ 4.47Å; F26-F367 HydrophobicContact CD2-CD1 4.15Å; F26-F367 HydrophobicContact CE2-CD1 4.34Å; F26-F367 HydrophobicContact CE2-CE1 4.44Å; F26-I368 VanDerWaalsContact CA-O 3.27Å; F26-I368 WeakPolarHBondContact CA-O 3.31Å
27M95.2Very high93.5Very high0 Ų023.4 Ų23.40%014%0.137CC..EExtended strand (participates in β ladder)trans-156.4172.2176.260.2170.5-179.500110.2A11 T14 F25 P29 I32 H312 F367 I368A11-M27 WeakPolarHBondContact O-CE 3.29Å; T14-M27 HydrophobicContact CG2-CE 3.91Å; T14-M27 HydrophobicContact CG2-SD 3.42Å; T14-M27 WeakPolarHBondContact CG2-SD 3.49Å; F25-M27 HydrophobicContact CE1-CB 4.42Å; F25-M27 HydrophobicContact CE1-CE 4.46Å; F25-M27 HydrophobicContact CE1-CG 3.94Å; F25-M27 HydrophobicContact CE1-SD 4.22Å; F25-M27 HydrophobicContact CZ-CB 4.04Å; F25-M27 HydrophobicContact CZ-CG 3.93Å; F25-M27 HydrophobicContact CZ-SD 4.04Å; M27-P29 HydrophobicContact CE-CB 4.39Å; M27-P29 WeakPolarHBondContact O-CD 3.33Å; M27-I32 HydrophobicContact CB-CD1 4.3Å; M27-I32 HydrophobicContact SD-CD1 4.04Å; M27-H312 WeakPolarHBondContact CA-NE2 3.49Å; M27-F367 WeakPolarHBondContact O-CA 3.49Å; M27-I368 HydrophobicContact CE-CG2 3.76Å; M27-I368 HydrophobicContact CG-CG2 4.24Å; M27-I368 PolarHBondContact N-O 2.95Å; M27-I368 PolarHBondContact O-N 2.64Å
28S95.5Very high93.5Very high0 Ų020 Ų200%012%0.122CC..  trans-107.4100.3165.8179.80000111.1F30 S31 I32 I165 H312 L366S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 3.45Å; S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 WeakPolarHBondContact OG-CB 3.35Å; S28-S31 PolarHBondContact OG-N 3.38Å; S28-I32 WeakPolarHBondContact O-CD1 3.44Å; S28-I32 VanDerWaalsContact O-CG1 3.26Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 2.82Å; S28-I165 VanDerWaalsContact CB-CG2 3.44Å; S28-I165 WeakPolarHBondContact OG-CD1 3.39Å; S28-H312 PolarHBondContact N-CE1 3.32Å; S28-H312 PolarHBondContact N-NE2 2.98Å; S28-H312 VanDerWaalsContact N-NE2 3.1Å; S28-L366 VanDerWaalsContact CA-O 3.25Å; S28-L366 WeakPolarHBondContact CA-O 3.4Å; S28-L366 WeakPolarHBondContact CB-O 3.11Å; S28-L366 PolarHBondContact OG-O 3.16Å
29P95.4Very high93.6Very high0 Ų019.4 Ų19.40%012%0.116CC..Hα-helixtrans-65.1-39179.826.2-32.8000111.4F10 A11 M27 I32 L33 I365 I368F10-P29 HydrophobicContact CD1-CB 4.12Å; F10-P29 HydrophobicContact CE1-CB 4.43Å; F10-P29 WeakPolarHBondContact CE1-O 3.38Å; A11-P29 HydrophobicContact CB-CB 3.55Å; A11-P29 HydrophobicContact CB-CG 3.54Å; M27-P29 HydrophobicContact CE-CB 4.39Å; M27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-I32 PolarHBondContact O-N 3.04Å; P29-L33 VanDerWaalsContact O-CB 3.31Å; P29-L33 WeakPolarHBondContact O-CB 3.44Å; P29-L33 PolarHBondContact O-N 3.16Å; P29-I365 HydrophobicContact CG-CB 4.39Å; P29-I365 HydrophobicContact CG-CG2 4.05Å; P29-I365 WeakPolarHBondContact CG-O 3.47Å; P29-I368 HydrophobicContact CG-CG2 4.12Å
30F92.9Very high93.8Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-60.8-46.4175.7178.8-116.5000112.2T7 S28 I32 L33 I34 M69 A72 I73 F76 I364 I365 L366T7-F30 HydrophobicContact CG2-CB 4.4Å; S28-F30 VanDerWaalsContact C-N 3.33Å; S28-F30 PolarHBondContact O-N 3.45Å; F30-I32 PolarHBondContact O-N 3.28Å; F30-L33 WeakPolarHBondContact O-CB 3.4Å; F30-L33 PolarHBondContact O-N 3.41Å; F30-L33 VanDerWaalsContact O-N 3.14Å; F30-I34 HydrophobicContact CD1-CD1 4.05Å; F30-I34 HydrophobicContact CE1-CD1 3.61Å; F30-I34 HydrophobicContact CE1-CG1 4.35Å; F30-I34 HydrophobicContact CE2-CD1 4.47Å; F30-I34 HydrophobicContact CE2-CG1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.84Å; F30-I34 HydrophobicContact CZ-CG1 4.17Å; F30-I34 WeakPolarHBondContact O-CG1 3.24Å; F30-I34 PolarHBondContact O-N 3.35Å; F30-M69 HydrophobicContact CE2-CE 4.29Å; F30-A72 HydrophobicContact CE2-CB 3.62Å; F30-A72 HydrophobicContact CZ-CB 3.82Å; F30-I73 HydrophobicContact CZ-CG1 4.08Å; F30-F76 HydrophobicContact CD1-CD2 4.1Å; F30-F76 AromaticContact CD1-CE2 3.91Å; F30-F76 HydrophobicContact CD1-CE2 3.91Å; F30-F76 AromaticContact CE1-CD2 3.32Å; F30-F76 HydrophobicContact CE1-CD2 3.32Å; F30-F76 AromaticContact CE1-CE2 3.51Å; F30-F76 HydrophobicContact CE1-CE2 3.51Å; F30-F76 HydrophobicContact CE1-CG 4.23Å; F30-F76 AromaticContact CZ-CD2 3.8Å; F30-F76 HydrophobicContact CZ-CD2 3.8Å; F30-F76 AromaticContact CZ-CE2 3.91Å; F30-F76 HydrophobicContact CZ-CE2 3.91Å; F30-I364 HydrophobicContact CB-CG2 3.88Å; F30-I364 HydrophobicContact CD1-CG2 4.22Å; F30-I364 HydrophobicContact CD2-CG2 3.62Å; F30-I364 HydrophobicContact CE2-CD1 4.4Å; F30-I364 HydrophobicContact CE2-CG2 4.2Å; F30-I364 HydrophobicContact CG-CG2 3.63Å; F30-I365 WeakPolarHBondContact CB-O 3.45Å; F30-L366 HydrophobicContact CD1-CD1 3.89Å
31S93.1Very high94.1Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-66.3-39.7-178.9-153.60000112S28 L33 I34 A35 N163S28-S31 PolarHBondContact O-N 3.17Å; S28-S31 WeakPolarHBondContact OG-CB 3.35Å; S28-S31 PolarHBondContact OG-N 3.38Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 3.17Å; S31-I34 WeakPolarHBondContact O-CB 3.45Å; S31-I34 PolarHBondContact O-N 3.3Å; S31-A35 PolarHBondContact O-N 3.49Å; S31-N163 VanDerWaalsContact C-ND2 3.34Å; S31-N163 WeakPolarHBondContact CB-ND2 3.3Å; S31-N163 WeakPolarHBondContact CB-OD1 3.13Å; S31-N163 PolarHBondContact O-ND2 3.06Å; S31-N163 PolarHBondContact OG-ND2 3.05Å; S31-N163 PolarHBondContact OG-OD1 3.48Å
32I95.5Very high94.7Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-60.3-43.9171.1-67.4165.7000110.7F10 M27 S28 P29 F30 I34 A35 L36 L274 L276 H312F10-I32 HydrophobicContact CE1-CB 4.13Å; F10-I32 HydrophobicContact CE1-CG2 3.79Å; F10-I32 HydrophobicContact CZ-CB 4.46Å; F10-I32 HydrophobicContact CZ-CG2 3.63Å; M27-I32 HydrophobicContact CB-CD1 4.3Å; M27-I32 HydrophobicContact SD-CD1 4.04Å; S28-I32 WeakPolarHBondContact O-CD1 3.44Å; S28-I32 VanDerWaalsContact O-CG1 3.26Å; S28-I32 WeakPolarHBondContact O-CG1 3.47Å; S28-I32 PolarHBondContact O-N 2.82Å; P29-I32 PolarHBondContact O-N 3.04Å; F30-I32 PolarHBondContact O-N 3.28Å; I32-I34 VanDerWaalsContact C-N 3.3Å; I32-I34 PolarHBondContact O-N 3.4Å; I32-A35 WeakPolarHBondContact O-CB 3.45Å; I32-A35 PolarHBondContact O-N 2.78Å; I32-A35 VanDerWaalsContact O-N 3.12Å; I32-L36 HydrophobicContact CG2-CD1 3.62Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.39Å; I32-L36 PolarHBondContact O-N 2.82Å; I32-L274 HydrophobicContact CD1-CD2 4.31Å; I32-L276 HydrophobicContact CD1-CD1 4.2Å; I32-L276 HydrophobicContact CG1-CD1 4.46Å; I32-L276 HydrophobicContact CG1-CD2 4.41Å; I32-L276 HydrophobicContact CG2-CD1 3.89Å; I32-L276 HydrophobicContact CG2-CD2 4Å; I32-H312 HydrophobicContact CD1-CB 4.31Å; I32-H312 HydrophobicContact CG1-CB 4.09Å
33L94.4Very high95.2Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-64.6-33-180-169.862.2000112.2F10 P29 F30 S31 G37 L55 F56 M69F10-L33 HydrophobicContact CD1-CB 4.26Å; F10-L33 HydrophobicContact CD1-CD1 4.39Å; F10-L33 HydrophobicContact CE1-CB 4.24Å; P29-L33 VanDerWaalsContact O-CB 3.31Å; P29-L33 WeakPolarHBondContact O-CB 3.44Å; P29-L33 PolarHBondContact O-N 3.16Å; F30-L33 WeakPolarHBondContact O-CB 3.4Å; F30-L33 PolarHBondContact O-N 3.41Å; F30-L33 VanDerWaalsContact O-N 3.14Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 3.17Å; L33-G37 WeakPolarHBondContact O-CA 3.38Å; L33-G37 PolarHBondContact O-N 3.46Å; L33-L55 HydrophobicContact CD1-CB 3.86Å; L33-L55 HydrophobicContact CD1-CD2 4.48Å; L33-L55 WeakPolarHBondContact CD1-O 3.42Å; L33-F56 HydrophobicContact CD1-CD1 4.26Å; L33-F56 HydrophobicContact CD1-CE1 3.69Å; L33-F56 HydrophobicContact CD1-CZ 4.1Å; L33-F56 HydrophobicContact CD2-CE1 4.32Å; L33-F56 HydrophobicContact CG-CE1 4.03Å; L33-M69 HydrophobicContact CB-CE 4.42Å; L33-M69 HydrophobicContact CD2-CE 4.31Å; L33-M69 HydrophobicContact CD2-SD 4.04Å; L33-M69 HydrophobicContact CG-CE 4.01Å; L33-M69 HydrophobicContact CG-SD 4.18Å
34I93.5Very high95.5Very high5 Ų54 Ų43%0.0263%0.026CC..Hα-helixtrans-60.7-51.2169.8-63.7168.8000110.2F30 S31 I32 L36 G37 M38 M69 I73 N91 Y113F30-I34 HydrophobicContact CD1-CD1 4.05Å; F30-I34 HydrophobicContact CE1-CD1 3.61Å; F30-I34 HydrophobicContact CE1-CG1 4.35Å; F30-I34 HydrophobicContact CE2-CD1 4.47Å; F30-I34 HydrophobicContact CE2-CG1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.84Å; F30-I34 HydrophobicContact CZ-CG1 4.17Å; F30-I34 WeakPolarHBondContact O-CG1 3.24Å; F30-I34 PolarHBondContact O-N 3.35Å; S31-I34 WeakPolarHBondContact O-CB 3.45Å; S31-I34 PolarHBondContact O-N 3.3Å; I32-I34 VanDerWaalsContact C-N 3.3Å; I32-I34 PolarHBondContact O-N 3.4Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 3.32Å; I34-G37 PolarHBondContact O-N 3Å; I34-M38 WeakPolarHBondContact O-CG 3.5Å; I34-M38 PolarHBondContact O-N 3.49Å; I34-M69 HydrophobicContact CG1-CE 3.98Å; I34-I73 HydrophobicContact CD1-CD1 4.25Å; I34-I73 HydrophobicContact CD1-CG1 3.77Å; I34-I73 HydrophobicContact CG1-CD1 3.9Å; I34-I73 HydrophobicContact CG1-CG1 3.82Å; I34-I73 HydrophobicContact CG2-CD1 3.97Å; I34-N91 HydrophobicContact CG2-CB 4.23Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.41Å; I34-Y113 HydrophobicContact CG2-CD1 4.25Å
35A94.7Very high95.7Very high2 Ų25 Ų52%0.0174%0.04CC..Hα-helixtrans-55.8-46179.800000111.9S31 I32 M38 T39 N163S31-A35 PolarHBondContact O-N 3.49Å; I32-A35 WeakPolarHBondContact O-CB 3.45Å; I32-A35 PolarHBondContact O-N 2.78Å; I32-A35 VanDerWaalsContact O-N 3.12Å; A35-M38 HydrophobicContact CB-CE 4.35Å; A35-T39 PolarHBondContact O-N 2.81Å; A35-T39 PolarHBondContact O-OG1 3.18Å; A35-N163 HydrophobicContact CB-CB 4.07Å
36L96.7Very high95.9Very high0 Ų09.2 Ų9.20%06%0.063CC..Hα-helixtrans-74.8-30.1-179.9-62.9168.5000113F10 I32 I34 T39 Y40 M51 L55 L161 L280 M288F10-L36 HydrophobicContact CE2-CD1 4.42Å; F10-L36 HydrophobicContact CZ-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CD1 3.62Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.39Å; I32-L36 PolarHBondContact O-N 2.82Å; I34-L36 VanDerWaalsContact C-N 3.29Å; I34-L36 PolarHBondContact O-N 3.32Å; L36-T39 PolarHBondContact O-N 2.81Å; L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.72Å; L36-M51 VanDerWaalsContact O-CE 3.27Å; L36-M51 WeakPolarHBondContact O-CE 3.34Å; L36-L55 HydrophobicContact CB-CD1 3.59Å; L36-L55 HydrophobicContact CB-CD2 4.32Å; L36-L55 HydrophobicContact CD1-CD1 4.35Å; L36-L55 HydrophobicContact CD1-CD2 3.58Å; L36-L55 HydrophobicContact CG-CD1 4.47Å; L36-L161 HydrophobicContact CD2-CD2 3.84Å; L36-L280 HydrophobicContact CD1-CD1 4.23Å; L36-L280 HydrophobicContact CD1-CD2 3.57Å; L36-L280 HydrophobicContact CD2-CD1 3.65Å; L36-L280 HydrophobicContact CD2-CD2 4.38Å; L36-M288 HydrophobicContact CD2-CE 4.22Å
37G95.8Very high96.1Very high0 Ų09.1 Ų9.10%06%0.063CC..Hα-helixtrans-64.1-41.4173.400000112.3L33 I34 T39 Y40 V41 Y113L33-G37 WeakPolarHBondContact O-CA 3.38Å; L33-G37 PolarHBondContact O-N 3.46Å; I34-G37 PolarHBondContact O-N 3Å; G37-T39 VanDerWaalsContact C-N 3.33Å; G37-T39 PolarHBondContact O-N 2.83Å; G37-Y40 WeakPolarHBondContact O-CB 3.48Å; G37-Y40 PolarHBondContact O-N 2.78Å; G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 3.37Å; G37-V41 VanDerWaalsContact O-N 3.11Å; G37-Y113 VanDerWaalsContact C-CZ 3.49Å
38M95.5Very high96.3Very high0 Ų010.9 Ų10.90%07%0.07CC..Hα-helixtrans-59.3-44.6171.6-65.1-173.9-76.200111.9I34 A35 Y40 V41 N91 L93 F105 I109 Y113 A115I34-M38 WeakPolarHBondContact O-CG 3.5Å; I34-M38 PolarHBondContact O-N 3.49Å; A35-M38 HydrophobicContact CB-CE 4.35Å; M38-Y40 VanDerWaalsContact C-N 3.34Å; M38-V41 WeakPolarHBondContact O-CB 3.29Å; M38-V41 PolarHBondContact O-N 3.09Å; M38-N91 HydrophobicContact CE-CB 3.83Å; M38-L93 HydrophobicContact CB-CD1 4.17Å; M38-L93 HydrophobicContact CB-CG 4.49Å; M38-F105 WeakPolarHBondContact O-CE2 3.35Å; M38-I109 HydrophobicContact CB-CG2 4.14Å; M38-I109 HydrophobicContact CG-CG2 4.45Å; M38-Y113 HydrophobicContact CG-CD1 3.97Å; M38-Y113 HydrophobicContact CG-CD2 4.35Å; M38-Y113 HydrophobicContact CG-CG 3.71Å; M38-A115 HydrophobicContact CE-CB 4.33Å; M38-A115 HydrophobicContact CG-CB 4.25Å; M38-A115 HydrophobicContact SD-CB 3.06Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å
39T97.4Very high96.3Very high0 Ų014.3 Ų14.30%09%0.094CC..Hα-helixtrans-66-38177.6-560000111.6A35 L36 G37 V41 G42 S43 M51 L93 L161 M288 F296 V307A35-T39 PolarHBondContact O-N 2.81Å; A35-T39 PolarHBondContact O-OG1 3.18Å; L36-T39 PolarHBondContact O-N 2.81Å; G37-T39 VanDerWaalsContact C-N 3.33Å; G37-T39 PolarHBondContact O-N 2.83Å; T39-V41 VanDerWaalsContact C-N 3.34Å; T39-V41 PolarHBondContact O-N 3.12Å; T39-G42 WeakPolarHBondContact O-CA 3.32Å; T39-G42 PolarHBondContact O-N 2.86Å; T39-S43 PolarHBondContact O-N 2.82Å; T39-M51 HydrophobicContact CG2-CE 3.86Å; T39-M51 HydrophobicContact CG2-SD 4.36Å; T39-L93 WeakPolarHBondContact OG1-CD2 3.3Å; T39-L161 HydrophobicContact CG2-CD1 4.42Å; T39-L161 HydrophobicContact CG2-CD2 4.22Å; T39-L161 VanDerWaalsContact OG1-CD2 3.31Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.5Å; T39-L161 WeakPolarHBondContact OG1-CG 3.42Å; T39-M288 HydrophobicContact CG2-CE 4.1Å; T39-F296 HydrophobicContact CG2-CD1 4.35Å; T39-F296 HydrophobicContact CG2-CE1 3.37Å; T39-F296 HydrophobicContact CG2-CZ 3.6Å; T39-V307 HydrophobicContact CG2-CG2 4.07Å
40Y97.8Very high96.4Very high2 Ų215.9 Ų15.91%0.00810%0.101CC..Hα-helixtrans-59.8-40.8176.2171-104.7000112.1L36 G37 M38 G42 S43 K48 M51 K52 F56 D62 I65L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.72Å; G37-Y40 WeakPolarHBondContact O-CB 3.48Å; G37-Y40 PolarHBondContact O-N 2.78Å; M38-Y40 VanDerWaalsContact C-N 3.34Å; Y40-G42 PolarHBondContact O-N 3.24Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; Y40-S43 WeakPolarHBondContact O-CB 3.28Å; Y40-S43 PolarHBondContact O-N 3.45Å; Y40-S43 PolarHBondContact O-OG 3.26Å; Y40-K48 HydrophobicContact CD2-CG 4.14Å; Y40-K48 HydrophobicContact CE2-CD 4.29Å; Y40-K48 HydrophobicContact CE2-CG 3.51Å; Y40-K48 VanDerWaalsContact CZ-CE 3.48Å; Y40-K48 WeakPolarHBondContact OH-CE 3.43Å; Y40-M51 HydrophobicContact CD2-CB 3.84Å; Y40-K52 HydrophobicContact CE2-CB 3.87Å; Y40-K52 HydrophobicContact CE2-CG 4.36Å; Y40-F56 HydrophobicContact CD1-CE2 4.04Å; Y40-F56 HydrophobicContact CD2-CE2 4.46Å; Y40-F56 HydrophobicContact CG-CE2 4Å; Y40-D62 PolarHBondContact OH-OD1 3.5Å; Y40-I65 HydrophobicContact CD1-CG2 4.43Å; Y40-I65 HydrophobicContact CE1-CD1 3.95Å; Y40-I65 HydrophobicContact CE1-CG2 4.27Å
41V97.6Very high96.7Very high9 Ų915.9 Ų15.96%0.05510%0.102CC..Hα-helixtrans-55.6-33.8175.2172.50000111.9G37 M38 T39 N66 F105 R108 I109 Y113G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 3.37Å; G37-V41 VanDerWaalsContact O-N 3.11Å; M38-V41 WeakPolarHBondContact O-CB 3.29Å; M38-V41 PolarHBondContact O-N 3.09Å; T39-V41 VanDerWaalsContact C-N 3.34Å; T39-V41 PolarHBondContact O-N 3.12Å; V41-N66 WeakPolarHBondContact CG2-OD1 3.47Å; V41-F105 HydrophobicContact CB-CE2 4.26Å; V41-F105 HydrophobicContact CG1-CD2 4.02Å; V41-F105 HydrophobicContact CG1-CE2 4.19Å; V41-R108 HydrophobicContact CG1-CB 3.7Å; V41-R108 HydrophobicContact CG1-CG 4.49Å; V41-I109 HydrophobicContact CB-CG2 4.21Å; V41-I109 HydrophobicContact CG1-CG2 4.21Å; V41-Y113 HydrophobicContact CG2-CD2 4.32Å; V41-Y113 HydrophobicContact CG2-CE2 3.55Å
42G97.7Very high96.8Very high0 Ų018 Ų180%011%0.111CC..Hα-helixtrans-82.7-11.6178.800000115T39 Y40 F296 K298 I299T39-G42 WeakPolarHBondContact O-CA 3.32Å; T39-G42 PolarHBondContact O-N 2.86Å; Y40-G42 PolarHBondContact O-N 3.24Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; G42-F296 CarbonylContact O-C 3.6Å; G42-F296 VanDerWaalsContact O-C 3.32Å; G42-F296 VanDerWaalsContact O-CA 3.29Å; G42-F296 WeakPolarHBondContact O-CA 3.43Å; G42-K298 WeakPolarHBondContact O-CB 3.48Å; G42-K298 PolarHBondContact O-N 2.81Å; G42-I299 VanDerWaalsContact CA-CG1 3.47Å
43S98.3Very high96.7Very high0 Ų020.3 Ų20.30%013%0.127CC..  trans-86.7154.2-172.772.50000113.9T39 Y40 K48 N295 K298T39-S43 PolarHBondContact O-N 2.82Å; Y40-S43 WeakPolarHBondContact O-CB 3.28Å; Y40-S43 PolarHBondContact O-N 3.45Å; Y40-S43 PolarHBondContact O-OG 3.26Å; S43-K48 WeakPolarHBondContact OG-CA 3.22Å; S43-K48 VanDerWaalsContact OG-CB 3.29Å; S43-K48 WeakPolarHBondContact OG-CB 3.5Å; S43-K48 WeakPolarHBondContact OG-CG 3.13Å; S43-N295 CarbonylContact C-O 3.52Å; S43-N295 WeakPolarHBondContact CA-O 3.38Å; S43-K298 VanDerWaalsContact O-CD 3.3Å; S43-K298 WeakPolarHBondContact O-CD 3.29Å; S43-K298 VanDerWaalsContact O-CE 3.29Å; S43-K298 WeakPolarHBondContact O-CE 3.47Å; S43-K298 PolarHBondContact O-NZ 2.97Å
44S98.1Very high96.8Very high35 Ų3524.1 Ų24.125%0.24514%0.143CC..  trans-142.2174.2172.2-154.10000111.5K48 N295S44-K48 PolarHBondContact O-N 3.04Å; S44-K48 VanDerWaalsContact O-N 3.12Å; S44-N295 PolarHBondContact N-O 2.96Å; S44-N295 WeakPolarHBondContact O-CB 3.24Å
45G97.5Very high96.8Very high45 Ų4523.9 Ų23.946%0.46414%0.142SC..Hα-helixtrans54-142.317600000114.7T47 K48 S49G45-T47 PolarHBondContact O-N 3.43Å; G45-K48 WeakPolarHBondContact O-CB 3.36Å; G45-K48 PolarHBondContact O-N 3.03Å; G45-S49 PolarHBondContact O-N 3.48Å; G45-S49 VanDerWaalsContact O-N 3.13Å
46N98Very high96.6Very high93 Ų9324.3 Ų24.350%0.49714%0.144SC..Hα-helixtrans-65.4-36.9-177.4-16452.2000113K48 S49 Q50 D287N46-K48 VanDerWaalsContact C-N 3.26Å; N46-K48 PolarHBondContact O-N 2.99Å; N46-S49 WeakPolarHBondContact O-CA 3.4Å; N46-S49 WeakPolarHBondContact O-CB 3.49Å; N46-S49 PolarHBondContact O-N 2.74Å; N46-Q50 PolarHBondContact ND2-NE2 3.13Å; N46-Q50 PolarHBondContact O-N 2.88Å; N46-D287 WeakPolarHBondContact CB-OD2 3.29Å; N46-D287 PolarHBondContact ND2-OD2 3.2Å
47T98.5Very high95.9Very high1 Ų125.9 Ų25.91%0.00615%0.151CC..Hα-helixtrans-52.4-47172-50.80000111.1G45 S49 M51 M288 N295 F296G45-T47 PolarHBondContact O-N 3.43Å; T47-S49 PolarHBondContact O-N 3.48Å; T47-M51 HydrophobicContact CG2-SD 4.46Å; T47-M51 VanDerWaalsContact O-CG 3.28Å; T47-M51 WeakPolarHBondContact O-CG 3.3Å; T47-M51 PolarHBondContact O-N 3.5Å; T47-M288 HydrophobicContact CG2-CB 3.86Å; T47-N295 PolarHBondContact OG1-N 3.28Å; T47-F296 HydrophobicContact CG2-CE1 4.28Å; T47-F296 HydrophobicContact CG2-CE2 4.26Å; T47-F296 HydrophobicContact CG2-CZ 3.9Å
48K97.8Very high95.2Very high37 Ų3729.7 Ų29.716%0.16118%0.178CC..Hα-helixtrans-64.2-41176.7-173.8177.9-177.7-147.90112.5Y40 S43 S44 G45 N46 M51 K52 D62Y40-K48 HydrophobicContact CD2-CG 4.14Å; Y40-K48 HydrophobicContact CE2-CD 4.29Å; Y40-K48 HydrophobicContact CE2-CG 3.51Å; Y40-K48 VanDerWaalsContact CZ-CE 3.48Å; Y40-K48 WeakPolarHBondContact OH-CE 3.43Å; S43-K48 WeakPolarHBondContact OG-CA 3.22Å; S43-K48 VanDerWaalsContact OG-CB 3.29Å; S43-K48 WeakPolarHBondContact OG-CB 3.5Å; S43-K48 WeakPolarHBondContact OG-CG 3.13Å; S44-K48 PolarHBondContact O-N 3.04Å; S44-K48 VanDerWaalsContact O-N 3.12Å; G45-K48 WeakPolarHBondContact O-CB 3.36Å; G45-K48 PolarHBondContact O-N 3.03Å; N46-K48 VanDerWaalsContact C-N 3.26Å; N46-K48 PolarHBondContact O-N 2.99Å; K48-M51 PolarHBondContact O-N 3.01Å; K48-K52 VanDerWaalsContact O-CB 3.28Å; K48-K52 WeakPolarHBondContact O-CB 3.39Å; K48-K52 PolarHBondContact O-N 3.12Å; K48-D62 WeakPolarHBondContact CE-OD1 3.44Å; K48-D62 WeakPolarHBondContact CE-OD2 2.92Å; K48-D62 IonicContact NZ-OD1 3.49Å; K48-D62 PolarHBondContact NZ-OD1 3.44Å; K48-D62 IonicContact NZ-OD2 3.1Å; K48-D62 PolarHBondContact NZ-OD2 3.13Å
49S97.3Very high94.7Very high72 Ų7234.1 Ų34.150%0.50321%0.209SC..Hα-helixtrans-61.4-47.7178.7-167.50000111.8G45 N46 T47 K52 S53G45-S49 PolarHBondContact O-N 3.48Å; G45-S49 VanDerWaalsContact O-N 3.13Å; N46-S49 WeakPolarHBondContact O-CA 3.4Å; N46-S49 WeakPolarHBondContact O-CB 3.49Å; N46-S49 PolarHBondContact O-N 2.74Å; T47-S49 PolarHBondContact O-N 3.48Å; S49-K52 PolarHBondContact O-N 2.83Å; S49-S53 WeakPolarHBondContact O-CB 3.22Å; S49-S53 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-OG 3.28Å; S49-S53 VanDerWaalsContact O-OG 3.13Å
50Q97.6Very high94.3Very high32 Ų3235 Ų3515%0.1521%0.213CC..Hα-helixtrans-57-53.8173.8-74.4177.8-8.100111N46 K52 S53 K54 T286 D287N46-Q50 PolarHBondContact ND2-NE2 3.13Å; N46-Q50 PolarHBondContact O-N 2.88Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 2.92Å; Q50-S53 PolarHBondContact O-N 3.15Å; Q50-S53 PolarHBondContact O-OG 2.97Å; Q50-K54 WeakPolarHBondContact O-CB 3.47Å; Q50-K54 VanDerWaalsContact O-CG 3.3Å; Q50-K54 WeakPolarHBondContact O-CG 3.31Å; Q50-K54 PolarHBondContact O-N 3.28Å; Q50-T286 PolarHBondContact NE2-OG1 2.85Å; Q50-D287 VanDerWaalsContact NE2-CG 3.27Å; Q50-D287 PolarHBondContact NE2-OD1 2.82Å; Q50-D287 VanDerWaalsContact OE1-CB 3.25Å; Q50-D287 VanDerWaalsContact OE1-CG 3.31Å; Q50-D287 PolarHBondContact OE1-OD1 3.28Å
51M97.7Very high94Very high1 Ų143.3 Ų43.31%0.00525%0.245CC..Hα-helixtrans-57.2-45.1179.2-69.9-172.783.500112.1L36 T39 Y40 T47 K48 K54 L55 L285 M288 F296L36-M51 VanDerWaalsContact O-CE 3.27Å; L36-M51 WeakPolarHBondContact O-CE 3.34Å; T39-M51 HydrophobicContact CG2-CE 3.86Å; T39-M51 HydrophobicContact CG2-SD 4.36Å; Y40-M51 HydrophobicContact CD2-CB 3.84Å; T47-M51 HydrophobicContact CG2-SD 4.46Å; T47-M51 VanDerWaalsContact O-CG 3.28Å; T47-M51 WeakPolarHBondContact O-CG 3.3Å; T47-M51 PolarHBondContact O-N 3.5Å; K48-M51 PolarHBondContact O-N 3.01Å; M51-K54 PolarHBondContact O-N 3.17Å; M51-L55 HydrophobicContact CB-CD1 4.09Å; M51-L55 HydrophobicContact CE-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.47Å; M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 3.29Å; M51-L285 HydrophobicContact CG-CD2 4.11Å; M51-M288 HydrophobicContact CE-CE 4.49Å; M51-F296 HydrophobicContact SD-CE1 4.3Å
52K95.5Very high93.8Very high44 Ų4445.4 Ų45.419%0.19126%0.255CS..Hα-helixtrans-61.2-49.5-179.7-167.1-174.4-176.8-168.50112Y40 K48 S49 Q50 K54 F56 E57 S58 L60 I65Y40-K52 HydrophobicContact CE2-CB 3.87Å; Y40-K52 HydrophobicContact CE2-CG 4.36Å; K48-K52 VanDerWaalsContact O-CB 3.28Å; K48-K52 WeakPolarHBondContact O-CB 3.39Å; K48-K52 PolarHBondContact O-N 3.12Å; S49-K52 PolarHBondContact O-N 2.83Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 2.92Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.16Å; K52-F56 CarbonylContact O-C 3.52Å; K52-F56 PolarHBondContact O-N 3.41Å; K52-E57 WeakPolarHBondContact CE-O 3.5Å; K52-S58 VanDerWaalsContact CE-O 3.27Å; K52-S58 WeakPolarHBondContact CE-O 3.39Å; K52-S58 PolarHBondContact NZ-O 2.68Å; K52-L60 WeakPolarHBondContact CE-O 3.29Å; K52-L60 PolarHBondContact NZ-O 3.4Å; K52-I65 HydrophobicContact CG-CD1 4.22Å
53S94.7Very high93.6Very high48 Ų4847.9 Ų47.934%0.33628%0.281SS..Hα-helixtrans-68.7-29.2-176.966.40000113.4S49 Q50 S58S49-S53 WeakPolarHBondContact O-CB 3.22Å; S49-S53 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-OG 3.28Å; S49-S53 VanDerWaalsContact O-OG 3.13Å; Q50-S53 PolarHBondContact O-N 3.15Å; Q50-S53 PolarHBondContact O-OG 2.97Å; S53-S58 WeakPolarHBondContact CB-OG 3.3Å
54K95.2Very high93.3Very high80 Ų8051.4 Ų51.435%0.34830%0.298SS..Hα-helixtrans-96.2-21.1-176.3-60.4-54.7-174.3175.30114.8R13 Q50 M51 K52 L283 L285R13-K54 VanDerWaalsContact CZ-O 3.23Å; R13-K54 PolarHBondContact NH1-O 3.32Å; R13-K54 PolarHBondContact NH2-O 3.29Å; Q50-K54 WeakPolarHBondContact O-CB 3.47Å; Q50-K54 VanDerWaalsContact O-CG 3.3Å; Q50-K54 WeakPolarHBondContact O-CG 3.31Å; Q50-K54 PolarHBondContact O-N 3.28Å; M51-K54 PolarHBondContact O-N 3.17Å; K52-K54 VanDerWaalsContact C-N 3.32Å; K52-K54 PolarHBondContact O-N 3.16Å; K54-L283 WeakPolarHBondContact CD-O 3.16Å; K54-L283 VanDerWaalsContact CE-O 3.29Å; K54-L283 WeakPolarHBondContact CE-O 3.44Å; K54-L283 WeakPolarHBondContact CG-O 3.37Å; K54-L285 HydrophobicContact CB-CD1 3.75Å; K54-L285 HydrophobicContact CB-CG 4.17Å; K54-L285 HydrophobicContact CG-CD1 4.25Å; K54-L285 HydrophobicContact CG-CG 4.5Å
55L94.7Very high93.1Very high0 Ų049.8 Ų49.80%029%0.287CS..Hα-helixtrans-107.8-29.6-175.5-57.5176.3000113.6I6 F10 L33 L36 M51 L285I6-L55 WeakPolarHBondContact CG2-O 3.44Å; F10-L55 HydrophobicContact CD2-CD2 4.03Å; F10-L55 HydrophobicContact CE2-CD2 3.52Å; F10-L55 HydrophobicContact CZ-CD2 4.19Å; L33-L55 HydrophobicContact CD1-CB 3.86Å; L33-L55 HydrophobicContact CD1-CD2 4.48Å; L33-L55 WeakPolarHBondContact CD1-O 3.42Å; L36-L55 HydrophobicContact CB-CD1 3.59Å; L36-L55 HydrophobicContact CB-CD2 4.32Å; L36-L55 HydrophobicContact CD1-CD1 4.35Å; L36-L55 HydrophobicContact CD1-CD2 3.58Å; L36-L55 HydrophobicContact CG-CD1 4.47Å; M51-L55 HydrophobicContact CB-CD1 4.09Å; M51-L55 HydrophobicContact CE-CD1 3.92Å; M51-L55 WeakPolarHBondContact O-CB 3.47Å; M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 3.29Å; L55-L285 HydrophobicContact CD1-CD2 4.1Å; L55-L285 HydrophobicContact CD2-CD1 4.47Å; L55-L285 HydrophobicContact CD2-CD2 3.96Å; L55-L285 HydrophobicContact CG-CD2 4.06Å
56F89.7Confident92.9Very high12 Ų1248.4 Ų48.45%0.05327%0.268CS..SBendtrans-127.1-123.2-174.1-51.4-68.8000107.7I6 L33 Y40 K52 I65 M69I6-F56 HydrophobicContact CG2-CD1 4.42Å; L33-F56 HydrophobicContact CD1-CD1 4.26Å; L33-F56 HydrophobicContact CD1-CE1 3.69Å; L33-F56 HydrophobicContact CD1-CZ 4.1Å; L33-F56 HydrophobicContact CD2-CE1 4.32Å; L33-F56 HydrophobicContact CG-CE1 4.03Å; Y40-F56 HydrophobicContact CD1-CE2 4.04Å; Y40-F56 HydrophobicContact CD2-CE2 4.46Å; Y40-F56 HydrophobicContact CG-CE2 4Å; K52-F56 CarbonylContact O-C 3.52Å; K52-F56 PolarHBondContact O-N 3.41Å; F56-I65 HydrophobicContact CB-CD1 4.17Å; F56-I65 HydrophobicContact CB-CG1 4.35Å; F56-I65 HydrophobicContact CD1-CG2 3.87Å; F56-I65 HydrophobicContact CD2-CD1 3.96Å; F56-I65 HydrophobicContact CD2-CG1 4.48Å; F56-I65 HydrophobicContact CD2-CG2 3.88Å; F56-I65 HydrophobicContact CE1-CG2 3.74Å; F56-I65 HydrophobicContact CE2-CG2 3.75Å; F56-I65 HydrophobicContact CG-CD1 4.15Å; F56-I65 HydrophobicContact CG-CG1 4.29Å; F56-I65 HydrophobicContact CG-CG2 3.94Å; F56-I65 HydrophobicContact CZ-CG2 3.68Å; F56-M69 HydrophobicContact CE1-CG 4.12Å; F56-M69 HydrophobicContact CE1-SD 4.03Å
57E82.6Confident92.6Very high32 Ų3247.2 Ų47.215%0.1527%0.267CS..  trans-140.8146.9167.1-63.8-178.7133.900109.4M1 I6 K52 S59 L60M1-E57 WeakPolarHBondContact CA-OE1 3.45Å; M1-E57 VanDerWaalsContact CB-CD 3.47Å; M1-E57 HydrophobicContact CB-CG 4.47Å; M1-E57 WeakPolarHBondContact CB-OE1 3.49Å; M1-E57 VanDerWaalsContact CE-OE1 3.26Å; M1-E57 WeakPolarHBondContact CE-OE1 3.46Å; M1-E57 WeakPolarHBondContact CG-OE1 3.39Å; M1-E57 PolarHBondContact N-OE1 2.98Å; M1-E57 PolarHBondContact N-OE2 2.93Å; M1-E57 HydrophobicContact SD-CG 4.46Å; M1-E57 VanDerWaalsContact SD-OE1 3.33Å; I6-E57 HydrophobicContact CD1-CG 4.05Å; I6-E57 HydrophobicContact CG1-CG 3.99Å; K52-E57 WeakPolarHBondContact CE-O 3.5Å; E57-S59 PolarHBondContact O-N 3.04Å; E57-S59 VanDerWaalsContact O-N 3.17Å; E57-L60 HydrophobicContact CB-CD1 4.45Å; E57-L60 HydrophobicContact CB-CG 4.3Å; E57-L60 PolarHBondContact O-N 3.44Å
58S80.2Confident92.3Very high80 Ų8050 Ų5056%0.55928%0.282SS*.THydrogen-bonded Turntrans-61.7-25.7-179.8-59.10000113.4K52 S53K52-S58 VanDerWaalsContact CE-O 3.27Å; K52-S58 WeakPolarHBondContact CE-O 3.39Å; K52-S58 PolarHBondContact NZ-O 2.68Å; S53-S58 WeakPolarHBondContact CB-OG 3.3Å
59S85.5Confident92Very high94 Ų9448.3 Ų48.366%0.65728%0.275SS*.THydrogen-bonded Turntrans-76.1-27.6-179.257.50000113.9E57E57-S59 PolarHBondContact O-N 3.04Å; E57-S59 VanDerWaalsContact O-N 3.17Å
60L88.5Confident91.8Very high18 Ų1845.5 Ų45.59%0.09426%0.255CS..SBendtrans-70.8137.3-175.1-69.3178.7000112.4I6 K52 E57 Q64 I65 L68I6-L60 HydrophobicContact CD1-CD1 3.54Å; K52-L60 WeakPolarHBondContact CE-O 3.29Å; K52-L60 PolarHBondContact NZ-O 3.4Å; E57-L60 HydrophobicContact CB-CD1 4.45Å; E57-L60 HydrophobicContact CB-CG 4.3Å; E57-L60 PolarHBondContact O-N 3.44Å; L60-Q64 HydrophobicContact CD2-CB 4.44Å; L60-I65 HydrophobicContact CB-CD1 4.15Å; L60-I65 HydrophobicContact CB-CG1 3.76Å; L60-I65 HydrophobicContact CD1-CG1 4.19Å; L60-L68 HydrophobicContact CD1-CD1 4.16Å
61R92.4Very high91.4Very high177 Ų17747.5 Ų47.567%0.66827%0.272SS*.  trans-77.6154.6172.7-62.5-177.3-67-128.41.4111G63 Q64 I65R61-G63 PolarHBondContact O-N 2.9Å; R61-G63 VanDerWaalsContact O-N 3.14Å; R61-Q64 HydrophobicContact CB-CG 4.45Å; R61-Q64 WeakPolarHBondContact O-CA 3.32Å; R61-Q64 WeakPolarHBondContact O-CB 3.37Å; R61-Q64 PolarHBondContact O-N 3.28Å; R61-I65 PolarHBondContact O-N 3.35Å
62D93.3Very high91Very high52 Ų5247.5 Ų47.528%0.27827%0.273SS..Hα-helixtrans-50.6-41.8176.8-72.69.6000113.1Y40 K48 Q64 I65 N66Y40-D62 PolarHBondContact OH-OD1 3.5Å; K48-D62 WeakPolarHBondContact CE-OD1 3.44Å; K48-D62 WeakPolarHBondContact CE-OD2 2.92Å; K48-D62 IonicContact NZ-OD1 3.49Å; K48-D62 PolarHBondContact NZ-OD1 3.44Å; K48-D62 IonicContact NZ-OD2 3.1Å; K48-D62 PolarHBondContact NZ-OD2 3.13Å; D62-Q64 VanDerWaalsContact C-N 3.33Å; D62-I65 PolarHBondContact O-N 3.21Å; D62-N66 WeakPolarHBondContact O-CB 3.05Å; D62-N66 VanDerWaalsContact O-CG 3.27Å; D62-N66 PolarHBondContact O-N 2.98Å; D62-N66 PolarHBondContact O-ND2 2.7Å
63G92.9Very high90.8Very high53 Ų5346 Ų4655%0.54627%0.266SS..Hα-helixtrans-63.9-38.117800000112.6R61 S67R61-G63 PolarHBondContact O-N 2.9Å; R61-G63 VanDerWaalsContact O-N 3.14Å; G63-S67 VanDerWaalsContact O-CB 3.31Å; G63-S67 WeakPolarHBondContact O-CB 3.26Å; G63-S67 PolarHBondContact O-N 3.27Å
64Q92.2Very high90.5Very high73 Ų7349.3 Ų49.334%0.34128%0.275SS..Hα-helixtrans-68.5-47.6177.1-68.5169.3-66.500110.6L60 R61 D62 N66 S67 L68L60-Q64 HydrophobicContact CD2-CB 4.44Å; R61-Q64 HydrophobicContact CB-CG 4.45Å; R61-Q64 WeakPolarHBondContact O-CA 3.32Å; R61-Q64 WeakPolarHBondContact O-CB 3.37Å; R61-Q64 PolarHBondContact O-N 3.28Å; D62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-N66 VanDerWaalsContact C-N 3.35Å; Q64-N66 PolarHBondContact O-N 3.18Å; Q64-S67 PolarHBondContact O-N 2.8Å; Q64-S67 VanDerWaalsContact O-N 3.15Å; Q64-L68 WeakPolarHBondContact O-CB 3.48Å; Q64-L68 VanDerWaalsContact O-CG 3.29Å; Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 3.4Å
65I93.1Very high90Very high2 Ų246.6 Ų46.61%0.0127%0.266CS..Hα-helixtrans-55.6-50.7176.8-63.9169.2000110.4Y40 K52 F56 L60 R61 D62 S67 L68 M69Y40-I65 HydrophobicContact CD1-CG2 4.43Å; Y40-I65 HydrophobicContact CE1-CD1 3.95Å; Y40-I65 HydrophobicContact CE1-CG2 4.27Å; K52-I65 HydrophobicContact CG-CD1 4.22Å; F56-I65 HydrophobicContact CB-CD1 4.17Å; F56-I65 HydrophobicContact CB-CG1 4.35Å; F56-I65 HydrophobicContact CD1-CG2 3.87Å; F56-I65 HydrophobicContact CD2-CD1 3.96Å; F56-I65 HydrophobicContact CD2-CG1 4.48Å; F56-I65 HydrophobicContact CD2-CG2 3.88Å; F56-I65 HydrophobicContact CE1-CG2 3.74Å; F56-I65 HydrophobicContact CE2-CG2 3.75Å; F56-I65 HydrophobicContact CG-CD1 4.15Å; F56-I65 HydrophobicContact CG-CG1 4.29Å; F56-I65 HydrophobicContact CG-CG2 3.94Å; F56-I65 HydrophobicContact CZ-CG2 3.68Å; L60-I65 HydrophobicContact CB-CD1 4.15Å; L60-I65 HydrophobicContact CB-CG1 3.76Å; L60-I65 HydrophobicContact CD1-CG1 4.19Å; R61-I65 PolarHBondContact O-N 3.35Å; D62-I65 PolarHBondContact O-N 3.21Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.93Å; I65-L68 PolarHBondContact O-N 2.9Å; I65-M69 HydrophobicContact CG2-CG 4.48Å; I65-M69 WeakPolarHBondContact O-CG 3.5Å; I65-M69 PolarHBondContact O-N 3.4Å
66N93.5Very high89.4Confident15 Ų1547 Ų478%0.0827%0.268CS..Hα-helixtrans-66-31.8-179.5-70.6-39.2000113.2V41 D62 Q64 S70 H112 Y113V41-N66 WeakPolarHBondContact CG2-OD1 3.47Å; D62-N66 WeakPolarHBondContact O-CB 3.05Å; D62-N66 VanDerWaalsContact O-CG 3.27Å; D62-N66 PolarHBondContact O-N 2.98Å; D62-N66 PolarHBondContact O-ND2 2.7Å; Q64-N66 VanDerWaalsContact C-N 3.35Å; Q64-N66 PolarHBondContact O-N 3.18Å; N66-S70 WeakPolarHBondContact O-CB 3.36Å; N66-S70 PolarHBondContact O-N 3.09Å; N66-S70 VanDerWaalsContact O-N 3.11Å; N66-H112 HydrophobicContact CB-CB 4.32Å; N66-H112 PolarHBondContact O-ND1 2.79Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.47Å; N66-Y113 PolarHBondContact OD1-OH 3.18Å; N66-Y113 VanDerWaalsContact OD1-OH 3.09Å
67S92.6Very high88.3Confident68 Ų6850.8 Ų50.848%0.47629%0.289SS..Hα-helixtrans-70.9-46.8175.5-167.10000111.2G63 Q64 I65 S70 S71G63-S67 VanDerWaalsContact O-CB 3.31Å; G63-S67 WeakPolarHBondContact O-CB 3.26Å; G63-S67 PolarHBondContact O-N 3.27Å; Q64-S67 PolarHBondContact O-N 2.8Å; Q64-S67 VanDerWaalsContact O-N 3.15Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 2.93Å; S67-S70 PolarHBondContact O-N 3.37Å; S67-S71 PolarHBondContact O-N 3.21Å; S67-S71 PolarHBondContact O-OG 2.94Å
68L90.7Very high87.1Confident61 Ų6158.8 Ų58.832%0.31932%0.319SS..Hα-helixtrans-59.8-51.1178.5-71.1169.7000110.9L3 L60 Q64 I65 S70 S71 A72L3-L68 HydrophobicContact CB-CD2 4.48Å; L3-L68 HydrophobicContact CD1-CB 4.44Å; L60-L68 HydrophobicContact CD1-CD1 4.16Å; Q64-L68 WeakPolarHBondContact O-CB 3.48Å; Q64-L68 VanDerWaalsContact O-CG 3.29Å; Q64-L68 WeakPolarHBondContact O-CG 3.35Å; Q64-L68 PolarHBondContact O-N 3.4Å; I65-L68 PolarHBondContact O-N 2.9Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-N 3.49Å; L68-A72 WeakPolarHBondContact O-CB 3.34Å; L68-A72 PolarHBondContact O-N 2.94Å
69M91.6Very high86.2Confident1 Ų156.4 Ų56.41%0.00530%0.302CS..Hα-helixtrans-61.4-39.7177.6-68.2-54.9-61.900112.1L3 F30 L33 I34 F56 I65 A72 I73 Y113L3-M69 HydrophobicContact CD1-SD 4.26Å; F30-M69 HydrophobicContact CE2-CE 4.29Å; L33-M69 HydrophobicContact CB-CE 4.42Å; L33-M69 HydrophobicContact CD2-CE 4.31Å; L33-M69 HydrophobicContact CD2-SD 4.04Å; L33-M69 HydrophobicContact CG-CE 4.01Å; L33-M69 HydrophobicContact CG-SD 4.18Å; I34-M69 HydrophobicContact CG1-CE 3.98Å; F56-M69 HydrophobicContact CE1-CG 4.12Å; F56-M69 HydrophobicContact CE1-SD 4.03Å; I65-M69 HydrophobicContact CG2-CG 4.48Å; I65-M69 WeakPolarHBondContact O-CG 3.5Å; I65-M69 PolarHBondContact O-N 3.4Å; M69-A72 WeakPolarHBondContact O-CB 3.45Å; M69-A72 PolarHBondContact O-N 3.33Å; M69-I73 WeakPolarHBondContact O-CB 3.3Å; M69-I73 WeakPolarHBondContact O-CD1 3.28Å; M69-I73 WeakPolarHBondContact O-CG1 3.41Å; M69-I73 PolarHBondContact O-N 3.06Å; M69-Y113 HydrophobicContact CB-CD1 4.43Å; M69-Y113 HydrophobicContact CB-CE1 3.68Å; M69-Y113 HydrophobicContact CE-CE1 4.34Å; M69-Y113 HydrophobicContact CG-CE1 3.94Å
70S92.9Very high85Confident12 Ų1255.2 Ų55.28%0.08429%0.289CS..Hα-helixtrans-65.1-43.1178.4-171.80000112.5N66 S67 L68 K74 H112N66-S70 WeakPolarHBondContact O-CB 3.36Å; N66-S70 PolarHBondContact O-N 3.09Å; N66-S70 VanDerWaalsContact O-N 3.11Å; S67-S70 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.96Å; S70-K74 WeakPolarHBondContact O-CB 3.15Å; S70-K74 VanDerWaalsContact O-CG 3.22Å; S70-K74 WeakPolarHBondContact O-CG 3.18Å; S70-K74 PolarHBondContact O-N 2.83Å; S70-K74 VanDerWaalsContact O-N 3.07Å; S70-H112 WeakPolarHBondContact CA-O 2.91Å; S70-H112 WeakPolarHBondContact CB-O 3.45Å
71S90.5Very high83.6Confident74 Ų7457.6 Ų57.652%0.51730%0.304SS..Hα-helixtrans-63.5-43.3175.3-64.70000111.5S67 L68 K74 S75S67-S71 PolarHBondContact O-N 3.21Å; S67-S71 PolarHBondContact O-OG 2.94Å; L68-S71 PolarHBondContact O-N 3.49Å; S71-K74 PolarHBondContact O-N 3.3Å; S71-S75 PolarHBondContact O-N 3.21Å
72A89.6Confident82Confident2 Ų259.4 Ų59.42%0.01732%0.316CS..Hα-helixtrans-58.7-51.3177.400000112.1L3 F30 L68 M69 K74 S75 F76 I364L3-A72 HydrophobicContact CD2-CB 3.47Å; L3-A72 VanDerWaalsContact CD2-CB 3.47Å; F30-A72 HydrophobicContact CE2-CB 3.62Å; F30-A72 HydrophobicContact CZ-CB 3.82Å; L68-A72 WeakPolarHBondContact O-CB 3.34Å; L68-A72 PolarHBondContact O-N 2.94Å; M69-A72 WeakPolarHBondContact O-CB 3.45Å; M69-A72 PolarHBondContact O-N 3.33Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 2.96Å; A72-S75 WeakPolarHBondContact O-CB 3.12Å; A72-S75 PolarHBondContact O-N 3.31Å; A72-S75 PolarHBondContact O-OG 2.72Å; A72-S75 VanDerWaalsContact O-OG 3.12Å; A72-F76 WeakPolarHBondContact O-CD2 3.49Å; A72-I364 HydrophobicContact CB-CD1 3.72Å
73I90.3Very high80.7Confident11 Ų1162.5 Ų62.56%0.05633%0.333CS..Hα-helixtrans-62-42.8-179.4-68.8165.2000110.6F30 I34 M69 S75 F76 N77 Y113F30-I73 HydrophobicContact CZ-CG1 4.08Å; I34-I73 HydrophobicContact CD1-CD1 4.25Å; I34-I73 HydrophobicContact CD1-CG1 3.77Å; I34-I73 HydrophobicContact CG1-CD1 3.9Å; I34-I73 HydrophobicContact CG1-CG1 3.82Å; I34-I73 HydrophobicContact CG2-CD1 3.97Å; M69-I73 WeakPolarHBondContact O-CB 3.3Å; M69-I73 WeakPolarHBondContact O-CD1 3.28Å; M69-I73 WeakPolarHBondContact O-CG1 3.41Å; M69-I73 PolarHBondContact O-N 3.06Å; I73-S75 PolarHBondContact O-N 3.29Å; I73-F76 PolarHBondContact O-N 3.41Å; I73-F76 VanDerWaalsContact O-N 3.1Å; I73-N77 PolarHBondContact O-N 3.21Å; I73-N77 PolarHBondContact O-OD1 3.29Å; I73-Y113 HydrophobicContact CD1-CD1 3.78Å; I73-Y113 HydrophobicContact CD1-CG 4.26Å
74K88.4Confident79.8Confident119 Ų11960.5 Ų60.552%0.51731%0.312SS..Hα-helixtrans-61.4-31.5176.1-74.5173-177.61790112.7S70 S71 A72 F76 N77S70-K74 WeakPolarHBondContact O-CB 3.15Å; S70-K74 VanDerWaalsContact O-CG 3.22Å; S70-K74 WeakPolarHBondContact O-CG 3.18Å; S70-K74 PolarHBondContact O-N 2.83Å; S70-K74 VanDerWaalsContact O-N 3.07Å; S71-K74 PolarHBondContact O-N 3.3Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 2.96Å; K74-F76 PolarHBondContact O-N 2.83Å; K74-N77 PolarHBondContact O-N 3.29Å
75S84.7Confident79.3Confident23 Ų2357.9 Ų57.916%0.16130%0.3CS..Hα-helixtrans-65.6-24.6177.7104.30000112.4S71 A72 I73 K223 D359 N362S71-S75 PolarHBondContact O-N 3.21Å; A72-S75 WeakPolarHBondContact O-CB 3.12Å; A72-S75 PolarHBondContact O-N 3.31Å; A72-S75 PolarHBondContact O-OG 2.72Å; A72-S75 VanDerWaalsContact O-OG 3.12Å; I73-S75 PolarHBondContact O-N 3.29Å; S75-K223 PolarHBondContact O-NZ 2.96Å; S75-K223 PolarHBondContact OG-NZ 2.69Å; S75-D359 PolarHBondContact OG-OD2 3.38Å; S75-N362 PolarHBondContact OG-ND2 2.85Å
76F81.9Confident78.9Confident7 Ų759.8 Ų59.83%0.03131%0.308CS..Hα-helixtrans-97.4-9.5176.5-68.4-78.6000114.1F30 A72 I73 K74 Y78 S79 L87 L224 D359 I364 L366F30-F76 HydrophobicContact CD1-CD2 4.1Å; F30-F76 AromaticContact CD1-CE2 3.91Å; F30-F76 HydrophobicContact CD1-CE2 3.91Å; F30-F76 AromaticContact CE1-CD2 3.32Å; F30-F76 HydrophobicContact CE1-CD2 3.32Å; F30-F76 AromaticContact CE1-CE2 3.51Å; F30-F76 HydrophobicContact CE1-CE2 3.51Å; F30-F76 HydrophobicContact CE1-CG 4.23Å; F30-F76 AromaticContact CZ-CD2 3.8Å; F30-F76 HydrophobicContact CZ-CD2 3.8Å; F30-F76 AromaticContact CZ-CE2 3.91Å; F30-F76 HydrophobicContact CZ-CE2 3.91Å; A72-F76 WeakPolarHBondContact O-CD2 3.49Å; I73-F76 PolarHBondContact O-N 3.41Å; I73-F76 VanDerWaalsContact O-N 3.1Å; K74-F76 PolarHBondContact O-N 2.83Å; F76-Y78 PolarHBondContact O-N 2.97Å; F76-Y78 VanDerWaalsContact O-N 3.12Å; F76-S79 PolarHBondContact O-N 2.85Å; F76-S79 PolarHBondContact O-OG 3.38Å; F76-L87 HydrophobicContact CB-CD2 4.09Å; F76-L87 HydrophobicContact CD1-CD2 3.72Å; F76-L87 HydrophobicContact CG-CD2 4.29Å; F76-L224 HydrophobicContact CE1-CD2 4.11Å; F76-D359 HydrophobicContact CE1-CB 4.23Å; F76-D359 HydrophobicContact CZ-CB 3.79Å; F76-I364 HydrophobicContact CE2-CB 4.2Å; F76-I364 HydrophobicContact CE2-CD1 3.84Å; F76-I364 HydrophobicContact CE2-CG2 3.83Å; F76-I364 HydrophobicContact CZ-CB 4.19Å; F76-I364 HydrophobicContact CZ-CG2 3.94Å; F76-L366 HydrophobicContact CD1-CD1 4.37Å; F76-L366 HydrophobicContact CE1-CB 4.48Å; F76-L366 HydrophobicContact CE1-CD1 4Å; F76-L366 HydrophobicContact CE1-CD2 4.06Å; F76-L366 HydrophobicContact CE1-CG 4.4Å; F76-L366 HydrophobicContact CZ-CD1 4.18Å
77N67.9Low78.7Confident92 Ų9259.1 Ų59.149%0.49231%0.305SS..THydrogen-bonded Turntrans-68.1-8.4-178.2-79.5-14.4000114.5I73 K74 S79I73-N77 PolarHBondContact O-N 3.21Å; I73-N77 PolarHBondContact O-OD1 3.29Å; K74-N77 PolarHBondContact O-N 3.29Å; N77-S79 PolarHBondContact O-N 3.13Å
78Y57.1Low78.5Confident201 Ų20157.9 Ų57.979%0.78829%0.29SS*.THydrogen-bonded Turntrans-84.318172.8-67.1-81.6000113F76F76-Y78 PolarHBondContact O-N 2.97Å; F76-Y78 VanDerWaalsContact O-N 3.12Å
79S59.9Low78.4Confident30 Ų3057.6 Ų57.621%0.2129%0.288CS..  trans-72.9152.9178.458.40000113.9F76 N77 L87F76-S79 PolarHBondContact O-N 2.85Å; F76-S79 PolarHBondContact O-OG 3.38Å; N77-S79 PolarHBondContact O-N 3.13Å; S79-L87 WeakPolarHBondContact CB-O 3.32Å; S79-L87 PolarHBondContact OG-O 2.99Å
80N60.9Low78.3Confident69 Ų6957.6 Ų57.637%0.36929%0.288SS..  trans81.248.9177.3-43.2-39.2000114.7Y85 E86 L87 Y88N80-Y85 VanDerWaalsContact CA-O 3.24Å; N80-Y85 WeakPolarHBondContact CA-O 3.49Å; N80-Y85 PolarHBondContact N-O 3.45Å; N80-E86 WeakPolarHBondContact OD1-CA 3.45Å; N80-L87 PolarHBondContact ND2-O 3.13Å; N80-L87 PolarHBondContact OD1-N 3Å; N80-L87 PolarHBondContact OD1-O 3.3Å; N80-Y88 WeakPolarHBondContact ND2-CE1 3.35Å
81T58.8Low78.2Confident68 Ų6857.9 Ų57.942%0.41729%0.289SS..BIsolated β-bridgetrans-74153.4161.961.10000109.5D83T81-D83 PolarHBondContact O-N 2.83Å
82K58.4Low78.5Confident214 Ų21456.8 Ų56.893%0.9327%0.274SS*.THydrogen-bonded Turntrans-64.2-3.9176.5-72.8-174.4177-177.80113.3G84K82-G84 VanDerWaalsContact C-N 3.3Å; K82-G84 PolarHBondContact O-N 3.46Å
83D66Low78.8Confident117 Ų11756.7 Ų56.763%0.62627%0.273SS*.THydrogen-bonded Turntrans-93.132-169-47.5-49.6000113.2T81T81-D83 PolarHBondContact O-N 2.83Å
84G75.7Confident79.2Confident11 Ų1156.1 Ų56.111%0.11327%0.27CS..THydrogen-bonded Turntrans79.626.3174.100000115.5K82 A169 G170K82-G84 VanDerWaalsContact C-N 3.3Å; K82-G84 PolarHBondContact O-N 3.46Å; G84-A169 CarbonylContact O-C 3.5Å; G84-A169 VanDerWaalsContact O-CA 3.26Å; G84-A169 WeakPolarHBondContact O-CA 3.17Å; G84-G170 PolarHBondContact O-N 3.15Å
85Y81.6Confident79.6Confident19 Ų1950.5 Ų50.58%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-123.9105.5174.2172.5-119.1000111.6N80 L87 F167 A169 T221 L224N80-Y85 VanDerWaalsContact CA-O 3.24Å; N80-Y85 WeakPolarHBondContact CA-O 3.49Å; N80-Y85 PolarHBondContact N-O 3.45Å; Y85-L87 HydrophobicContact CE2-CB 4.17Å; Y85-L87 VanDerWaalsContact OH-CD2 3.27Å; Y85-L87 WeakPolarHBondContact OH-CD2 3.27Å; Y85-F167 HydrophobicContact CD2-CE2 4.35Å; Y85-F167 HydrophobicContact CE2-CD2 4.29Å; Y85-F167 AromaticContact CE2-CE2 3.74Å; Y85-F167 HydrophobicContact CE2-CE2 3.74Å; Y85-A169 HydrophobicContact CD2-CB 3.86Å; Y85-T221 HydrophobicContact CD1-CG2 3.7Å; Y85-T221 HydrophobicContact CD2-CG2 3.81Å; Y85-T221 HydrophobicContact CE1-CG2 4.18Å; Y85-T221 HydrophobicContact CE2-CG2 4.32Å; Y85-T221 HydrophobicContact CG-CG2 3.48Å; Y85-T221 VanDerWaalsContact CG-CG2 3.48Å; Y85-L224 HydrophobicContact CE2-CD1 3.63Å
86E84.9Confident80.2Confident41 Ų4149.9 Ų49.919%0.19224%0.24CC..EExtended strand (participates in β ladder)trans-109.3121.9175.2-66.1171.2-130.600110.1N80 Y88 Y166 F167 K168N80-E86 WeakPolarHBondContact OD1-CA 3.45Å; E86-Y88 HydrophobicContact CB-CE2 3.9Å; E86-Y88 HydrophobicContact CG-CE2 4.21Å; E86-Y166 HydrophobicContact CB-CE1 4.03Å; E86-Y166 WeakPolarHBondContact OE2-CE1 3.42Å; E86-F167 WeakPolarHBondContact O-CA 3.46Å; E86-K168 HydrophobicContact CB-CB 4.3Å; E86-K168 PolarHBondContact N-O 3.22Å; E86-K168 PolarHBondContact O-N 3.04Å
87L87.9Confident80.7Confident1 Ų150.7 Ų50.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-136.9110.7168.5167.768000108.7F76 S79 N80 Y85 I89 I165 Y166 F167 L366F76-L87 HydrophobicContact CB-CD2 4.09Å; F76-L87 HydrophobicContact CD1-CD2 3.72Å; F76-L87 HydrophobicContact CG-CD2 4.29Å; S79-L87 WeakPolarHBondContact CB-O 3.32Å; S79-L87 PolarHBondContact OG-O 2.99Å; N80-L87 PolarHBondContact ND2-O 3.13Å; N80-L87 PolarHBondContact OD1-N 3Å; N80-L87 PolarHBondContact OD1-O 3.3Å; Y85-L87 HydrophobicContact CE2-CB 4.17Å; Y85-L87 VanDerWaalsContact OH-CD2 3.27Å; Y85-L87 WeakPolarHBondContact OH-CD2 3.27Å; L87-I89 HydrophobicContact CD1-CD1 4.19Å; L87-I89 HydrophobicContact CD1-CG1 3.91Å; L87-I89 HydrophobicContact CD2-CD1 4.16Å; L87-I89 HydrophobicContact CG-CD1 4.21Å; L87-I89 HydrophobicContact CG-CG1 4.17Å; L87-I165 HydrophobicContact CD1-CD1 3.86Å; L87-I165 HydrophobicContact CD1-CG1 3.87Å; L87-Y166 WeakPolarHBondContact CA-O 3.03Å; L87-F167 HydrophobicContact CD1-CB 4.48Å; L87-F167 HydrophobicContact CD1-CD2 4.36Å; L87-L366 HydrophobicContact CD1-CD2 4.15Å; L87-L366 HydrophobicContact CD2-CD2 4.23Å
88Y88.1Confident81.8Confident42 Ų4253.8 Ų53.817%0.16526%0.258CS..EExtended strand (participates in β ladder)trans-110.8121.6176.3-57.3-73.4000109.5N80 E86 E141 I165 Y166N80-Y88 WeakPolarHBondContact ND2-CE1 3.35Å; E86-Y88 HydrophobicContact CB-CE2 3.9Å; E86-Y88 HydrophobicContact CG-CE2 4.21Å; Y88-E141 HydrophobicContact CD1-CG 4.17Å; Y88-E141 HydrophobicContact CE1-CB 4.39Å; Y88-E141 HydrophobicContact CE1-CG 3.5Å; Y88-E141 HydrophobicContact CE2-CB 4.35Å; Y88-E141 HydrophobicContact CE2-CG 4.29Å; Y88-I165 VanDerWaalsContact O-CA 3.31Å; Y88-I165 WeakPolarHBondContact O-CA 3.18Å; Y88-Y166 AromaticContact CD2-CD1 3.63Å; Y88-Y166 HydrophobicContact CD2-CD1 3.63Å; Y88-Y166 HydrophobicContact CD2-CE1 4.21Å; Y88-Y166 HydrophobicContact CD2-CG 4.39Å; Y88-Y166 HydrophobicContact CE2-CD1 4.19Å; Y88-Y166 HydrophobicContact CE2-CE1 4.32Å; Y88-Y166 PolarHBondContact N-O 3.2Å; Y88-Y166 PolarHBondContact O-N 3.43Å
89I89.3Confident83.5Confident55 Ų5545.5 Ų45.528%0.28223%0.227SC..EExtended strand (participates in β ladder)trans-118.8116.6177.3-61.3170.9000108.3L87 N91 I165L87-I89 HydrophobicContact CD1-CD1 4.19Å; L87-I89 HydrophobicContact CD1-CG1 3.91Å; L87-I89 HydrophobicContact CD2-CD1 4.16Å; L87-I89 HydrophobicContact CG-CD1 4.21Å; L87-I89 HydrophobicContact CG-CG1 4.17Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.34Å; I89-I165 HydrophobicContact CD1-CD1 4.37Å; I89-I165 HydrophobicContact CG1-CD1 3.94Å; I89-I165 HydrophobicContact CG1-CG1 3.88Å
90A90.6Very high85.2Confident1 Ų151.8 Ų51.81%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-108.997.1176.500000109.9W135 K139 T140 N163 A164A90-W135 HydrophobicContact CB-CH2 4.01Å; A90-W135 HydrophobicContact CB-CZ3 3.84Å; A90-K139 HydrophobicContact CB-CB 3.75Å; A90-T140 HydrophobicContact CB-CG2 4.11Å; A90-N163 WeakPolarHBondContact O-CA 3.49Å; A90-A164 HydrophobicContact CB-CB 4.24Å; A90-A164 PolarHBondContact N-O 2.67Å; A90-A164 PolarHBondContact O-N 3.46Å
91N90.5Very high86.9Confident19 Ų1950 Ų5010%0.10225%0.245CC..EExtended strand (participates in β ladder)trans-115.9120.1179.4-89.6-51.1000110.7I34 M38 I89 N163I34-N91 HydrophobicContact CG2-CB 4.23Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.41Å; M38-N91 HydrophobicContact CE-CB 3.83Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.34Å; N91-N163 PolarHBondContact ND2-ND2 2.98Å; N91-N163 PolarHBondContact OD1-ND2 3.32Å
92R95.3Very high88.8Confident50 Ų5049.9 Ų49.919%0.18924%0.242CC..EExtended strand (participates in β ladder)trans-154.4150.3177.1-178162-73.4-166.60.6112.2F94 E118 W135 T162R92-F94 HydrophobicContact CB-CD2 4.45Å; R92-F94 HydrophobicContact CB-CE2 3.86Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 HydrophobicContact CG-CD1 4.38Å; R92-F94 HydrophobicContact CG-CD2 4.12Å; R92-F94 HydrophobicContact CG-CE1 4.04Å; R92-F94 HydrophobicContact CG-CE2 3.75Å; R92-F94 HydrophobicContact CG-CG 4.45Å; R92-F94 HydrophobicContact CG-CZ 3.73Å; R92-E118 IonicContact CZ-OE2 2.81Å; R92-E118 IonicContact NH1-OE2 3.74Å; R92-E118 PolarHBondContact NH1-OE2 3.39Å; R92-W135 HydrophobicContact CB-CE3 4.47Å; R92-W135 HydrophobicContact CB-CH2 3.38Å; R92-W135 HydrophobicContact CB-CZ2 3.82Å; R92-W135 HydrophobicContact CB-CZ3 3.75Å; R92-W135 HydrophobicContact CG-CH2 4.4Å; R92-W135 HydrophobicContact CG-CZ2 4.41Å; R92-W135 VanDerWaalsContact CZ-CE2 3.47Å; R92-W135 VanDerWaalsContact NE-CZ2 3.28Å; R92-T162 PolarHBondContact N-O 2.64Å; R92-T162 PolarHBondContact O-N 3.28Å; R92-T162 PolarHBondContact O-OG1 3.46Å
93L97.4Very high90.6Very high0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-98.8133.5165.6-60.1179.1000108.8M38 T39 F105 D116 I117 E118 L159 L161M38-L93 HydrophobicContact CB-CD1 4.17Å; M38-L93 HydrophobicContact CB-CG 4.49Å; T39-L93 WeakPolarHBondContact OG1-CD2 3.3Å; L93-F105 HydrophobicContact CD1-CE1 4.21Å; L93-F105 HydrophobicContact CD1-CZ 3.67Å; L93-D116 PolarHBondContact N-O 3.35Å; L93-I117 HydrophobicContact CB-CB 4.08Å; L93-I117 HydrophobicContact CB-CD1 4.27Å; L93-I117 HydrophobicContact CB-CG1 3.96Å; L93-I117 VanDerWaalsContact O-CA 3.3Å; L93-I117 WeakPolarHBondContact O-CA 3.31Å; L93-E118 PolarHBondContact O-N 3.42Å; L93-L159 HydrophobicContact CB-CD1 4.2Å; L93-L161 HydrophobicContact CD2-CB 4.43Å; L93-L161 HydrophobicContact CD2-CD1 3.6Å; L93-L161 HydrophobicContact CD2-CG 3.59Å
94F98Very high92.1Very high0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-115.9110.3173-64.9-84.2000109.5R92 E118 L120 F122 I132 W135 L159 V160 T162R92-F94 HydrophobicContact CB-CD2 4.45Å; R92-F94 HydrophobicContact CB-CE2 3.86Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 HydrophobicContact CG-CD1 4.38Å; R92-F94 HydrophobicContact CG-CD2 4.12Å; R92-F94 HydrophobicContact CG-CE1 4.04Å; R92-F94 HydrophobicContact CG-CE2 3.75Å; R92-F94 HydrophobicContact CG-CG 4.45Å; R92-F94 HydrophobicContact CG-CZ 3.73Å; F94-E118 CarbonylContact C-O 3.52Å; F94-E118 WeakPolarHBondContact CA-O 3.45Å; F94-E118 HydrophobicContact CD1-CB 3.87Å; F94-E118 HydrophobicContact CD1-CG 4.31Å; F94-E118 HydrophobicContact CE1-CB 4.04Å; F94-E118 HydrophobicContact CE1-CG 4.35Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.44Å; F94-L120 HydrophobicContact CB-CD1 4.28Å; F94-L120 HydrophobicContact CD1-CD1 3.44Å; F94-L120 VanDerWaalsContact CD1-CD1 3.44Å; F94-L120 HydrophobicContact CD1-CG 3.99Å; F94-L120 HydrophobicContact CE1-CD1 4.01Å; F94-L120 HydrophobicContact CG-CD1 4.12Å; F94-F122 HydrophobicContact CB-CZ 3.98Å; F94-I132 HydrophobicContact CB-CD1 4.12Å; F94-I132 HydrophobicContact CD1-CD1 4.39Å; F94-I132 HydrophobicContact CD1-CG1 3.92Å; F94-I132 HydrophobicContact CD2-CD1 3.99Å; F94-I132 HydrophobicContact CD2-CG1 3.87Å; F94-I132 HydrophobicContact CD2-CG2 4.2Å; F94-I132 HydrophobicContact CE1-CG1 3.92Å; F94-I132 HydrophobicContact CE2-CB 4.32Å; F94-I132 HydrophobicContact CE2-CD1 4.47Å; F94-I132 HydrophobicContact CE2-CG1 3.89Å; F94-I132 HydrophobicContact CE2-CG2 3.72Å; F94-I132 HydrophobicContact CG-CD1 3.92Å; F94-I132 HydrophobicContact CG-CG1 3.87Å; F94-I132 HydrophobicContact CZ-CB 4.35Å; F94-I132 HydrophobicContact CZ-CG1 3.9Å; F94-I132 HydrophobicContact CZ-CG2 4.13Å; F94-W135 HydrophobicContact CE2-CE3 4.25Å; F94-W135 HydrophobicContact CZ-CD2 4.03Å; F94-W135 AromaticContact CZ-CE3 3.87Å; F94-W135 HydrophobicContact CZ-CE3 3.87Å; F94-W135 HydrophobicContact CZ-CG 4.32Å; F94-W135 HydrophobicContact CZ-CZ3 4.45Å; F94-L159 CarbonylContact O-C 3.46Å; F94-L159 WeakPolarHBondContact O-CA 3.45Å; F94-V160 HydrophobicContact CB-CB 4.32Å; F94-V160 PolarHBondContact N-O 3.02Å; F94-V160 PolarHBondContact O-N 3.07Å; F94-T162 HydrophobicContact CD2-CG2 3.74Å; F94-T162 HydrophobicContact CE2-CG2 3.76Å; F94-T162 VanDerWaalsContact CE2-OG1 3.29Å; F94-T162 WeakPolarHBondContact CE2-OG1 3.48Å
95G97.3Very high93.2Very high0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-94.5156.217800000112.1E118 L119 L120 R158G95-E118 PolarHBondContact N-O 2.86Å; G95-L119 CarbonylContact O-C 3.56Å; G95-L119 VanDerWaalsContact O-CA 3.32Å; G95-L119 WeakPolarHBondContact O-CA 3.25Å; G95-L120 PolarHBondContact O-N 3.22Å; G95-R158 CarbonylContact C-O 3.59Å; G95-R158 WeakPolarHBondContact CA-O 3.4Å
96Q96.9Very high93.9Very high11 Ų1151 Ų515%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-61.6143.8172.6173.451.83.700111.3L99 L120 F122 R158Q96-L99 HydrophobicContact CB-CD1 4.26Å; Q96-L99 HydrophobicContact CB-CG 4.34Å; Q96-L99 WeakPolarHBondContact O-CB 3.15Å; Q96-L99 WeakPolarHBondContact O-CD1 3.4Å; Q96-L99 WeakPolarHBondContact O-CG 3.42Å; Q96-L99 PolarHBondContact O-N 2.74Å; Q96-L120 CarbonylContact C-O 3.41Å; Q96-L120 WeakPolarHBondContact CA-O 3.46Å; Q96-L120 PolarHBondContact OE1-O 3.33Å; Q96-F122 HydrophobicContact CB-CD2 3.9Å; Q96-F122 HydrophobicContact CB-CE2 4.38Å; Q96-F122 VanDerWaalsContact OE1-CB 3.3Å; Q96-R158 PolarHBondContact N-O 2.84Å
97S92.8Very high94.5Very high24 Ų2456.2 Ų56.217%0.16826%0.264CS..THydrogen-bonded Turntrans-55.8146.3173.160.60000110.3L99 L120 N121S97-L99 VanDerWaalsContact C-N 3.3Å; S97-L120 PolarHBondContact N-O 3.34Å; S97-N121 WeakPolarHBondContact OG-CA 3.28Å
98E90.5Very high94.9Very high156 Ų15659.9 Ų59.973%0.72928%0.277SS*.THydrogen-bonded Turntrans79.9-6.8-175.3-49.3153.2-149.500115.2Q100 K123E98-Q100 PolarHBondContact O-N 2.98Å; E98-K123 IonicContact OE1-NZ 3.92Å
99L93Very high95.3Very high28 Ų2857.9 Ų57.915%0.14727%0.269CS..  trans-61.6123.2170.7-71.3177.2000110.9Q96 S97 V101 L119 T300 L305Q96-L99 HydrophobicContact CB-CD1 4.26Å; Q96-L99 HydrophobicContact CB-CG 4.34Å; Q96-L99 WeakPolarHBondContact O-CB 3.15Å; Q96-L99 WeakPolarHBondContact O-CD1 3.4Å; Q96-L99 WeakPolarHBondContact O-CG 3.42Å; Q96-L99 PolarHBondContact O-N 2.74Å; S97-L99 VanDerWaalsContact C-N 3.3Å; L99-V101 PolarHBondContact O-N 2.71Å; L99-V101 VanDerWaalsContact O-N 3.12Å; L99-L119 HydrophobicContact CB-CD2 4.04Å; L99-L119 HydrophobicContact CD1-CD2 4.47Å; L99-L119 VanDerWaalsContact O-CD1 3.24Å; L99-L119 WeakPolarHBondContact O-CD1 3.4Å; L99-T300 HydrophobicContact CD2-CG2 4.14Å; L99-L305 HydrophobicContact CD1-CD1 3.73Å; L99-L305 HydrophobicContact CD1-CD2 4.48Å; L99-L305 HydrophobicContact CD2-CD1 4.19Å
100Q94.7Very high95.6Very high162 Ų16259.4 Ų59.476%0.75728%0.275SS*.  trans-7992.8170.9-68-172.8-7.700109.7E98 L102 T300E98-Q100 PolarHBondContact O-N 2.98Å; Q100-L102 PolarHBondContact O-N 2.59Å; Q100-T300 VanDerWaalsContact O-CA 3.3Å; Q100-T300 WeakPolarHBondContact O-CA 3.47Å
101V97.2Very high95.8Very high32 Ų3266.1 Ų66.119%0.19431%0.305CS..  trans-75.9123.3177.8-179.40000110.1L99 F105 I117 L119 I299L99-V101 PolarHBondContact O-N 2.71Å; L99-V101 VanDerWaalsContact O-N 3.12Å; V101-F105 HydrophobicContact CG1-CD1 3.88Å; V101-I117 HydrophobicContact CB-CG2 4.49Å; V101-I117 HydrophobicContact CG1-CG2 3.7Å; V101-I117 HydrophobicContact CG2-CD1 4.18Å; V101-I117 HydrophobicContact CG2-CG2 4.14Å; V101-L119 HydrophobicContact CG2-CD1 4.32Å; V101-L119 HydrophobicContact CG2-CD2 3.87Å; V101-L119 HydrophobicContact CG2-CG 4.45Å; V101-I299 WeakPolarHBondContact CA-O 3.48Å
102L97.9Very high96Very high65 Ų6567 Ų6734%0.3431%0.308SS..  trans-62.2128.6176.7-66.8178.5000110.7Q100 R104 F105 R106 I299Q100-L102 PolarHBondContact O-N 2.59Å; L102-R104 PolarHBondContact O-N 3.2Å; L102-R104 VanDerWaalsContact O-N 3.09Å; L102-F105 HydrophobicContact CB-CB 4.43Å; L102-F105 WeakPolarHBondContact O-CB 3.47Å; L102-F105 PolarHBondContact O-N 3.37Å; L102-R106 PolarHBondContact O-N 3.16Å; L102-I299 WeakPolarHBondContact CB-O 3.25Å; L102-I299 WeakPolarHBondContact CG-O 3.48Å; L102-I299 PolarHBondContact N-O 2.9Å
103P97.7Very high95.9Very high108 Ų10864.8 Ų64.870%0.70130%0.3SS*.Hα-helixtrans-55.5-33.4177.7-28.335000113.3F105 R106 K107P103-F105 VanDerWaalsContact C-N 3.32Å; P103-F105 PolarHBondContact O-N 2.77Å; P103-R106 PolarHBondContact O-N 2.82Å; P103-K107 WeakPolarHBondContact O-CB 3.43Å; P103-K107 PolarHBondContact O-N 3.34Å
104R97Very high95.6Very high174 Ų17468.5 Ų68.566%0.65733%0.326SS*.Hα-helixtrans-62.5-36.4176.7-171.8-179.6-174.5-173.95.8112.6L102 R108L102-R104 PolarHBondContact O-N 3.2Å; L102-R104 VanDerWaalsContact O-N 3.09Å; R104-R108 WeakPolarHBondContact O-CB 3.49Å; R104-R108 VanDerWaalsContact O-CG 3.26Å; R104-R108 WeakPolarHBondContact O-CG 3.31Å; R104-R108 PolarHBondContact O-N 3.25Å
105F97.8Very high95.3Very high3 Ų369 Ų691%0.01333%0.33CS..Hα-helixtrans-67.8-54.7176.9173.9-108.3000110.6M38 V41 L93 V101 L102 P103 K107 R108 I109 I117 K298 I299M38-F105 WeakPolarHBondContact O-CE2 3.35Å; V41-F105 HydrophobicContact CB-CE2 4.26Å; V41-F105 HydrophobicContact CG1-CD2 4.02Å; V41-F105 HydrophobicContact CG1-CE2 4.19Å; L93-F105 HydrophobicContact CD1-CE1 4.21Å; L93-F105 HydrophobicContact CD1-CZ 3.67Å; V101-F105 HydrophobicContact CG1-CD1 3.88Å; L102-F105 HydrophobicContact CB-CB 4.43Å; L102-F105 WeakPolarHBondContact O-CB 3.47Å; L102-F105 PolarHBondContact O-N 3.37Å; P103-F105 VanDerWaalsContact C-N 3.32Å; P103-F105 PolarHBondContact O-N 2.77Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 2.97Å; F105-R108 WeakPolarHBondContact O-CB 3.49Å; F105-R108 PolarHBondContact O-N 3.39Å; F105-I109 HydrophobicContact CD1-CD1 4.38Å; F105-I109 HydrophobicContact CD2-CG2 4.27Å; F105-I109 HydrophobicContact CE1-CD1 3.77Å; F105-I109 HydrophobicContact CE1-CG2 4.46Å; F105-I109 HydrophobicContact CE2-CG2 3.68Å; F105-I109 HydrophobicContact CZ-CD1 4.02Å; F105-I109 HydrophobicContact CZ-CG2 3.81Å; F105-I109 PolarHBondContact O-N 3.11Å; F105-I117 HydrophobicContact CD1-CG2 4.29Å; F105-I117 HydrophobicContact CE1-CB 4.29Å; F105-I117 HydrophobicContact CE1-CD1 4.29Å; F105-I117 HydrophobicContact CE1-CG2 4.03Å; F105-K298 WeakPolarHBondContact CB-O 3.39Å; F105-I299 HydrophobicContact CD1-CB 4.44Å; F105-I299 HydrophobicContact CD1-CG1 4.35Å; F105-I299 HydrophobicContact CD1-CG2 3.96Å; F105-I299 HydrophobicContact CD2-CG1 4.04Å; F105-I299 HydrophobicContact CE1-CD1 4.34Å; F105-I299 HydrophobicContact CE1-CG1 4.15Å; F105-I299 HydrophobicContact CE1-CG2 3.99Å; F105-I299 HydrophobicContact CE2-CD1 4.27Å; F105-I299 HydrophobicContact CE2-CG1 3.87Å; F105-I299 HydrophobicContact CG-CG1 4.29Å; F105-I299 HydrophobicContact CG-CG2 4.49Å; F105-I299 HydrophobicContact CZ-CD1 3.95Å; F105-I299 HydrophobicContact CZ-CG1 3.91Å
106R97.1Very high95Very high99 Ų9970.8 Ų70.837%0.37434%0.339SS..Hα-helixtrans-53.3-49.2178.1177.4172.2-92.5-174.1-0.2111.4L102 P103 R108 I109 Q110 D116 I117L102-R106 PolarHBondContact O-N 3.16Å; P103-R106 PolarHBondContact O-N 2.82Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 3.39Å; R106-I109 VanDerWaalsContact O-CG1 3.31Å; R106-I109 WeakPolarHBondContact O-CG1 3.24Å; R106-I109 PolarHBondContact O-N 3.28Å; R106-Q110 HydrophobicContact CG-CG 4.31Å; R106-Q110 VanDerWaalsContact CG-NE2 3.32Å; R106-Q110 WeakPolarHBondContact O-CB 3.49Å; R106-Q110 VanDerWaalsContact O-CG 3.24Å; R106-Q110 WeakPolarHBondContact O-CG 3.48Å; R106-Q110 PolarHBondContact O-N 3.04Å; R106-D116 IonicContact CZ-OD1 2.97Å; R106-D116 IonicContact CZ-OD2 3.8Å; R106-D116 IonicContact NE-OD1 3.3Å; R106-D116 PolarHBondContact NE-OD1 3.04Å; R106-D116 IonicContact NE-OD2 3.83Å; R106-D116 IonicContact NH2-OD1 3.32Å; R106-D116 PolarHBondContact NH2-OD1 3.21Å; R106-D116 IonicContact NH2-OD2 3.63Å; R106-I117 PolarHBondContact NH2-O 2.99Å
107K97.3Very high95Very high151 Ų15170.2 Ų70.266%0.65734%0.337SS*.Hα-helixtrans-58.4-36.4177.4-173.7173-177.11730113P103 F105 K111P103-K107 WeakPolarHBondContact O-CB 3.43Å; P103-K107 PolarHBondContact O-N 3.34Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 2.97Å; K107-K111 WeakPolarHBondContact O-CB 3.26Å; K107-K111 PolarHBondContact O-N 3.35Å
108R96.7Very high95.2Very high77 Ų7771.2 Ų71.229%0.29134%0.338SS..Hα-helixtrans-73.1-46179.8-78.6174.7168.3-170.4-7.3112.5V41 R104 F105 R106 Q110 K111 H112V41-R108 HydrophobicContact CG1-CB 3.7Å; V41-R108 HydrophobicContact CG1-CG 4.49Å; R104-R108 WeakPolarHBondContact O-CB 3.49Å; R104-R108 VanDerWaalsContact O-CG 3.26Å; R104-R108 WeakPolarHBondContact O-CG 3.31Å; R104-R108 PolarHBondContact O-N 3.25Å; F105-R108 WeakPolarHBondContact O-CB 3.49Å; F105-R108 PolarHBondContact O-N 3.39Å; R106-R108 VanDerWaalsContact C-N 3.27Å; R106-R108 PolarHBondContact O-N 3.39Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-K111 PolarHBondContact O-N 3.12Å; R108-H112 WeakPolarHBondContact O-CB 3.06Å; R108-H112 PolarHBondContact O-CD2 3.33Å; R108-H112 VanDerWaalsContact O-CD2 3.32Å; R108-H112 PolarHBondContact O-N 3.45Å
109I96.1Very high95.6Very high0 Ų067.1 Ų67.10%032%0.321CS..Hα-helixtrans-68.1-35.1178.662.3170000111.5M38 V41 F105 R106 Y113 S114 A115 I117M38-I109 HydrophobicContact CB-CG2 4.14Å; M38-I109 HydrophobicContact CG-CG2 4.45Å; V41-I109 HydrophobicContact CB-CG2 4.21Å; V41-I109 HydrophobicContact CG1-CG2 4.21Å; F105-I109 HydrophobicContact CD1-CD1 4.38Å; F105-I109 HydrophobicContact CD2-CG2 4.27Å; F105-I109 HydrophobicContact CE1-CD1 3.77Å; F105-I109 HydrophobicContact CE1-CG2 4.46Å; F105-I109 HydrophobicContact CE2-CG2 3.68Å; F105-I109 HydrophobicContact CZ-CD1 4.02Å; F105-I109 HydrophobicContact CZ-CG2 3.81Å; F105-I109 PolarHBondContact O-N 3.11Å; R106-I109 VanDerWaalsContact O-CG1 3.31Å; R106-I109 WeakPolarHBondContact O-CG1 3.24Å; R106-I109 PolarHBondContact O-N 3.28Å; I109-Y113 CarbonylContact O-C 3.5Å; I109-Y113 VanDerWaalsContact O-CA 3.32Å; I109-Y113 WeakPolarHBondContact O-CA 3.26Å; I109-Y113 WeakPolarHBondContact O-CB 3.3Å; I109-Y113 PolarHBondContact O-N 3.04Å; I109-S114 PolarHBondContact O-N 2.79Å; I109-A115 CarbonylContact C-O 3.55Å; I109-A115 PolarHBondContact O-N 2.95Å; I109-I117 HydrophobicContact CD1-CB 4.35Å; I109-I117 HydrophobicContact CD1-CG2 4.39Å
110Q95.2Very high95.8Very high87 Ų8766.6 Ų66.641%0.40732%0.318SS..Hα-helixtrans-63.2-46.9172.2-72.5171.8-1600111.4R106 R108 S114 A115R106-Q110 HydrophobicContact CG-CG 4.31Å; R106-Q110 VanDerWaalsContact CG-NE2 3.32Å; R106-Q110 WeakPolarHBondContact O-CB 3.49Å; R106-Q110 VanDerWaalsContact O-CG 3.24Å; R106-Q110 WeakPolarHBondContact O-CG 3.48Å; R106-Q110 PolarHBondContact O-N 3.04Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-S114 WeakPolarHBondContact O-CA 3.36Å; Q110-S114 PolarHBondContact O-N 3.34Å; Q110-A115 VanDerWaalsContact CA-O 3.25Å; Q110-A115 WeakPolarHBondContact CA-O 3.13Å; Q110-A115 WeakPolarHBondContact CG-O 2.82Å; Q110-A115 PolarHBondContact N-O 3.03Å
111K95Very high96Very high143 Ų14361.6 Ų61.662%0.62230%0.297SS*.Hα-helixtrans-66.7-46.2-178.8179.2177.9178.1179.40113.3K107 R108K107-K111 WeakPolarHBondContact O-CB 3.26Å; K107-K111 PolarHBondContact O-N 3.35Å; R108-K111 PolarHBondContact O-N 3.12Å
112H94.5Very high96Very high36 Ų3660.1 Ų60.117%0.16729%0.288CS..Hα-helixtrans-98.3-25-168.3-65.6-69000113.6N66 S70 R108N66-H112 HydrophobicContact CB-CB 4.32Å; N66-H112 PolarHBondContact O-ND1 2.79Å; S70-H112 WeakPolarHBondContact CA-O 2.91Å; S70-H112 WeakPolarHBondContact CB-O 3.45Å; R108-H112 WeakPolarHBondContact O-CB 3.06Å; R108-H112 PolarHBondContact O-CD2 3.33Å; R108-H112 VanDerWaalsContact O-CD2 3.32Å; R108-H112 PolarHBondContact O-N 3.45Å
113Y93.5Very high95.9Very high5 Ų563.1 Ų63.12%0.0230%0.298CS..Hα-helixtrans-123.43.7-173.5-62-94.9000113.7I34 G37 M38 V41 N66 M69 I73 I109 A115I34-Y113 HydrophobicContact CG2-CD1 4.25Å; G37-Y113 VanDerWaalsContact C-CZ 3.49Å; M38-Y113 HydrophobicContact CG-CD1 3.97Å; M38-Y113 HydrophobicContact CG-CD2 4.35Å; M38-Y113 HydrophobicContact CG-CG 3.71Å; V41-Y113 HydrophobicContact CG2-CD2 4.32Å; V41-Y113 HydrophobicContact CG2-CE2 3.55Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.47Å; N66-Y113 PolarHBondContact OD1-OH 3.18Å; N66-Y113 VanDerWaalsContact OD1-OH 3.09Å; M69-Y113 HydrophobicContact CB-CD1 4.43Å; M69-Y113 HydrophobicContact CB-CE1 3.68Å; M69-Y113 HydrophobicContact CE-CE1 4.34Å; M69-Y113 HydrophobicContact CG-CE1 3.94Å; I73-Y113 HydrophobicContact CD1-CD1 3.78Å; I73-Y113 HydrophobicContact CD1-CG 4.26Å; I109-Y113 CarbonylContact O-C 3.5Å; I109-Y113 VanDerWaalsContact O-CA 3.32Å; I109-Y113 WeakPolarHBondContact O-CA 3.26Å; I109-Y113 WeakPolarHBondContact O-CB 3.3Å; I109-Y113 PolarHBondContact O-N 3.04Å; Y113-A115 WeakPolarHBondContact O-CB 3.48Å; Y113-A115 PolarHBondContact O-N 3.47Å; Y113-A115 VanDerWaalsContact O-N 3.15Å
114S91.2Very high95.9Very high78 Ų7864.1 Ų64.155%0.54529%0.292SS..SBendtrans51.136.2-177.2-66.50000113.3I109 Q110I109-S114 PolarHBondContact O-N 2.79Å; Q110-S114 WeakPolarHBondContact O-CA 3.36Å; Q110-S114 PolarHBondContact O-N 3.34Å
115A91.9Very high95.9Very high10 Ų1058 Ų588%0.08328%0.275CS..  trans-136.4172.2-169.400000112.7M38 I109 Q110 Y113M38-A115 HydrophobicContact CE-CB 4.33Å; M38-A115 HydrophobicContact CG-CB 4.25Å; M38-A115 HydrophobicContact SD-CB 3.06Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å; I109-A115 CarbonylContact C-O 3.55Å; I109-A115 PolarHBondContact O-N 2.95Å; Q110-A115 VanDerWaalsContact CA-O 3.25Å; Q110-A115 WeakPolarHBondContact CA-O 3.13Å; Q110-A115 WeakPolarHBondContact CG-O 2.82Å; Q110-A115 PolarHBondContact N-O 3.03Å; Y113-A115 WeakPolarHBondContact O-CB 3.48Å; Y113-A115 PolarHBondContact O-N 3.47Å; Y113-A115 VanDerWaalsContact O-N 3.15Å
116D91.6Very high95.8Very high37 Ų3762.4 Ų62.420%0.19831%0.306CS..  trans-142.1167.9-177.9-155.7-5.4000111.2L93 R106L93-D116 PolarHBondContact N-O 3.35Å; R106-D116 IonicContact CZ-OD1 2.97Å; R106-D116 IonicContact CZ-OD2 3.8Å; R106-D116 IonicContact NE-OD1 3.3Å; R106-D116 PolarHBondContact NE-OD1 3.04Å; R106-D116 IonicContact NE-OD2 3.83Å; R106-D116 IonicContact NH2-OD1 3.32Å; R106-D116 PolarHBondContact NH2-OD1 3.21Å; R106-D116 IonicContact NH2-OD2 3.63Å
117I96.5Very high95.9Very high0 Ų065.2 Ų65.20%032%0.321CS..EExtended strand (participates in β ladder)trans-109.6129.9166.8-176.8168000109.4L93 V101 F105 R106 I109 L119 L159 I299L93-I117 HydrophobicContact CB-CB 4.08Å; L93-I117 HydrophobicContact CB-CD1 4.27Å; L93-I117 HydrophobicContact CB-CG1 3.96Å; L93-I117 VanDerWaalsContact O-CA 3.3Å; L93-I117 WeakPolarHBondContact O-CA 3.31Å; V101-I117 HydrophobicContact CB-CG2 4.49Å; V101-I117 HydrophobicContact CG1-CG2 3.7Å; V101-I117 HydrophobicContact CG2-CD1 4.18Å; V101-I117 HydrophobicContact CG2-CG2 4.14Å; F105-I117 HydrophobicContact CD1-CG2 4.29Å; F105-I117 HydrophobicContact CE1-CB 4.29Å; F105-I117 HydrophobicContact CE1-CD1 4.29Å; F105-I117 HydrophobicContact CE1-CG2 4.03Å; R106-I117 PolarHBondContact NH2-O 2.99Å; I109-I117 HydrophobicContact CD1-CB 4.35Å; I109-I117 HydrophobicContact CD1-CG2 4.39Å; I117-L119 HydrophobicContact CG1-CD2 4.49Å; I117-L159 HydrophobicContact CD1-CD1 4.15Å; I117-I299 HydrophobicContact CD1-CG2 4.24Å
118E97.5Very high95.9Very high44 Ų4458.3 Ų58.321%0.20629%0.293CS..EExtended strand (participates in β ladder)trans-110143.8175.2-177.3171-177.500109.9R92 L93 F94 G95 L120 H131R92-E118 IonicContact CZ-OE2 2.81Å; R92-E118 IonicContact NH1-OE2 3.74Å; R92-E118 PolarHBondContact NH1-OE2 3.39Å; L93-E118 PolarHBondContact O-N 3.42Å; F94-E118 CarbonylContact C-O 3.52Å; F94-E118 WeakPolarHBondContact CA-O 3.45Å; F94-E118 HydrophobicContact CD1-CB 3.87Å; F94-E118 HydrophobicContact CD1-CG 4.31Å; F94-E118 HydrophobicContact CE1-CB 4.04Å; F94-E118 HydrophobicContact CE1-CG 4.35Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.44Å; G95-E118 PolarHBondContact N-O 2.86Å; E118-L120 HydrophobicContact CG-CD2 4.23Å; E118-H131 IonicContact OE1-CD2 3.8Å; E118-H131 IonicContact OE1-CE1 3.24Å; E118-H131 PolarHBondContact OE1-CE1 3.24Å; E118-H131 IonicContact OE1-NE2 3.44Å; E118-H131 PolarHBondContact OE1-NE2 2.69Å; E118-H131 IonicContact OE2-NE2 3.8Å
119L98Very high96Very high70 Ų7055.9 Ų55.937%0.36628%0.283SS..EExtended strand (participates in β ladder)trans-104.3123.5-179.3-58.6-176.6000110.3G95 L99 V101 I117G95-L119 CarbonylContact O-C 3.56Å; G95-L119 VanDerWaalsContact O-CA 3.32Å; G95-L119 WeakPolarHBondContact O-CA 3.25Å; L99-L119 HydrophobicContact CB-CD2 4.04Å; L99-L119 HydrophobicContact CD1-CD2 4.47Å; L99-L119 VanDerWaalsContact O-CD1 3.24Å; L99-L119 WeakPolarHBondContact O-CD1 3.4Å; V101-L119 HydrophobicContact CG2-CD1 4.32Å; V101-L119 HydrophobicContact CG2-CD2 3.87Å; V101-L119 HydrophobicContact CG2-CG 4.45Å; I117-L119 HydrophobicContact CG1-CD2 4.49Å
120L97.7Very high96.1Very high17 Ų1760.2 Ų60.29%0.08930%0.303CS..EExtended strand (participates in β ladder)trans-126.1146.8-178.4-60.4179.6000110.8F94 G95 Q96 S97 E118 F122 A128 I132F94-L120 HydrophobicContact CB-CD1 4.28Å; F94-L120 HydrophobicContact CD1-CD1 3.44Å; F94-L120 VanDerWaalsContact CD1-CD1 3.44Å; F94-L120 HydrophobicContact CD1-CG 3.99Å; F94-L120 HydrophobicContact CE1-CD1 4.01Å; F94-L120 HydrophobicContact CG-CD1 4.12Å; G95-L120 PolarHBondContact O-N 3.22Å; Q96-L120 CarbonylContact C-O 3.41Å; Q96-L120 WeakPolarHBondContact CA-O 3.46Å; Q96-L120 PolarHBondContact OE1-O 3.33Å; S97-L120 PolarHBondContact N-O 3.34Å; E118-L120 HydrophobicContact CG-CD2 4.23Å; L120-F122 HydrophobicContact CB-CE1 4.38Å; L120-F122 HydrophobicContact CB-CZ 4.49Å; L120-F122 PolarHBondContact O-N 2.78Å; L120-F122 VanDerWaalsContact O-N 3.16Å; L120-A128 HydrophobicContact CB-CB 4.32Å; L120-I132 HydrophobicContact CD1-CD1 3.91Å; L120-I132 HydrophobicContact CD1-CG1 3.58Å
121N97.7Very high96.2Very high58 Ų5859.5 Ų59.531%0.3130%0.3SS..  trans-82.792.8175.2-174.3-3.8000111.1S97 K123 K124S97-N121 WeakPolarHBondContact OG-CA 3.28Å; N121-K123 PolarHBondContact O-N 2.65Å; N121-K123 WeakPolarHBondContact OD1-CB 3.15Å; N121-K123 WeakPolarHBondContact OD1-CG 3.15Å; N121-K123 PolarHBondContact OD1-N 2.81Å; N121-K124 CarbonylContact O-C 3.56Å; N121-K124 WeakPolarHBondContact O-CA 3.43Å; N121-K124 PolarHBondContact O-N 3.05Å
122F97.6Very high96.4Very high0 Ų052.7 Ų52.70%027%0.27CS..G310 helixtrans-68.5-13.1177.1-63.6-58000114.1F94 Q96 L120 K124 S125 A128 I132 I153 T157 V160F94-F122 HydrophobicContact CB-CZ 3.98Å; Q96-F122 HydrophobicContact CB-CD2 3.9Å; Q96-F122 HydrophobicContact CB-CE2 4.38Å; Q96-F122 VanDerWaalsContact OE1-CB 3.3Å; L120-F122 HydrophobicContact CB-CE1 4.38Å; L120-F122 HydrophobicContact CB-CZ 4.49Å; L120-F122 PolarHBondContact O-N 2.78Å; L120-F122 VanDerWaalsContact O-N 3.16Å; F122-K124 PolarHBondContact O-N 2.95Å; F122-S125 WeakPolarHBondContact O-CA 3.25Å; F122-S125 PolarHBondContact O-N 2.97Å; F122-S125 VanDerWaalsContact O-N 3.14Å; F122-A128 HydrophobicContact CD1-CB 3.68Å; F122-A128 HydrophobicContact CE1-CB 4.08Å; F122-I132 HydrophobicContact CE1-CD1 4.12Å; F122-I153 HydrophobicContact CD1-CD1 4.12Å; F122-I153 HydrophobicContact CE1-CD1 4.26Å; F122-T157 HydrophobicContact CB-CG2 4.44Å; F122-T157 HydrophobicContact CD1-CG2 3.97Å; F122-T157 HydrophobicContact CD2-CG2 3.66Å; F122-T157 WeakPolarHBondContact CD2-O 2.93Å; F122-T157 HydrophobicContact CE1-CG2 4.08Å; F122-T157 HydrophobicContact CE2-CG2 3.77Å; F122-T157 HydrophobicContact CG-CG2 3.78Å; F122-T157 HydrophobicContact CZ-CG2 3.98Å; F122-V160 HydrophobicContact CE1-CG2 4.07Å; F122-V160 HydrophobicContact CE2-CG2 4.39Å; F122-V160 HydrophobicContact CZ-CB 4.4Å; F122-V160 HydrophobicContact CZ-CG2 3.72Å
123K96Very high96.5Very high128 Ų12851 Ų5156%0.55726%0.263SS*.G310 helixtrans-61.5-27166.3-54.7172.3179165.30110.7E98 N121 S125E98-K123 IonicContact OE1-NZ 3.92Å; N121-K123 PolarHBondContact O-N 2.65Å; N121-K123 WeakPolarHBondContact OD1-CB 3.15Å; N121-K123 WeakPolarHBondContact OD1-CG 3.15Å; N121-K123 PolarHBondContact OD1-N 2.81Å; K123-S125 PolarHBondContact O-N 3.19Å
124K97.3Very high96.8Very high130 Ų13054.4 Ų54.457%0.56528%0.281SS*.G310 helixtrans-96.359.2168.2-61.3-173.8178.5-176.30110.2N121 F122 S126 K127 A128N121-K124 CarbonylContact O-C 3.56Å; N121-K124 WeakPolarHBondContact O-CA 3.43Å; N121-K124 PolarHBondContact O-N 3.05Å; F122-K124 PolarHBondContact O-N 2.95Å; K124-S126 PolarHBondContact O-N 2.94Å; K124-K127 HydrophobicContact CB-CB 4.26Å; K124-K127 PolarHBondContact O-N 3.19Å; K124-A128 PolarHBondContact O-N 3.11Å
125S96.8Very high97.1Very high44 Ų4452.1 Ų52.131%0.30826%0.261SS..Hα-helixtrans-51-46.7-168.1570000114.3F122 K123 K127 A128 R129 I153F122-S125 WeakPolarHBondContact O-CA 3.25Å; F122-S125 PolarHBondContact O-N 2.97Å; F122-S125 VanDerWaalsContact O-N 3.14Å; K123-S125 PolarHBondContact O-N 3.19Å; S125-K127 PolarHBondContact O-N 2.94Å; S125-A128 PolarHBondContact O-N 2.78Å; S125-R129 WeakPolarHBondContact O-CB 3.27Å; S125-R129 PolarHBondContact O-N 2.76Å; S125-I153 WeakPolarHBondContact CB-O 3.45Å; S125-I153 WeakPolarHBondContact O-CD1 3.5Å
126S97.4Very high97.3Very high96 Ų9651.7 Ų51.767%0.67126%0.257SS*.Hα-helixtrans-60.2-43.3178.3-172.90000112.5K124 R129 Q130K124-S126 PolarHBondContact O-N 2.94Å; S126-R129 PolarHBondContact O-N 2.8Å; S126-Q130 PolarHBondContact O-N 2.98Å
127K97.9Very high97.5Very high159 Ų15952.6 Ų52.669%0.69126%0.26SS*.Hα-helixtrans-67.8-42.4178-174.6173.8-178.7172.80111.7K124 S125 R129 Q130 H131K124-K127 HydrophobicContact CB-CB 4.26Å; K124-K127 PolarHBondContact O-N 3.19Å; S125-K127 PolarHBondContact O-N 2.94Å; K127-R129 VanDerWaalsContact C-N 3.32Å; K127-R129 PolarHBondContact O-N 2.98Å; K127-Q130 PolarHBondContact O-N 3.17Å; K127-H131 WeakPolarHBondContact O-CB 3.42Å; K127-H131 PolarHBondContact O-N 3.26Å
128A98Very high97.5Very high6 Ų660.5 Ų60.55%0.0529%0.294CS..Hα-helixtrans-63.1-39.817600000111.5L120 F122 K124 S125 H131 I132 I153L120-A128 HydrophobicContact CB-CB 4.32Å; F122-A128 HydrophobicContact CD1-CB 3.68Å; F122-A128 HydrophobicContact CE1-CB 4.08Å; K124-A128 PolarHBondContact O-N 3.11Å; S125-A128 PolarHBondContact O-N 2.78Å; A128-H131 PolarHBondContact O-N 3.24Å; A128-I132 VanDerWaalsContact O-CG1 3.3Å; A128-I132 WeakPolarHBondContact O-CG1 2.75Å; A128-I132 PolarHBondContact O-N 3.46Å; A128-I132 VanDerWaalsContact O-N 3.09Å; A128-I153 HydrophobicContact CB-CD1 4.08Å
129R98Very high97.3Very high26 Ų2663.5 Ų63.510%0.09831%0.307CS..Hα-helixtrans-61.7-50.4177.1-177.5-163.3169.5-75.3-0.5110.2S125 S126 K127 H131 I132 N133 D146 I148 P149 I153S125-R129 WeakPolarHBondContact O-CB 3.27Å; S125-R129 PolarHBondContact O-N 2.76Å; S126-R129 PolarHBondContact O-N 2.8Å; K127-R129 VanDerWaalsContact C-N 3.32Å; K127-R129 PolarHBondContact O-N 2.98Å; R129-H131 VanDerWaalsContact C-N 3.34Å; R129-H131 PolarHBondContact O-N 3.17Å; R129-I132 PolarHBondContact O-N 2.73Å; R129-N133 PolarHBondContact NH1-ND2 2.91Å; R129-N133 PolarHBondContact NH2-ND2 2.91Å; R129-N133 PolarHBondContact O-N 3.44Å; R129-D146 IonicContact CZ-OD1 3.79Å; R129-D146 IonicContact NH1-OD1 2.75Å; R129-D146 IonicContact NH2-OD1 2.76Å; R129-D146 PolarHBondContact NH2-OD1 2.72Å; R129-I148 HydrophobicContact CG-CB 4.14Å; R129-I148 HydrophobicContact CG-CG2 3.94Å; R129-I148 PolarHBondContact NE-O 3.31Å; R129-I148 PolarHBondContact NH2-O 2.97Å; R129-P149 PolarHBondContact NE-O 3.14Å; R129-I153 VanDerWaalsContact CA-CD1 3.48Å; R129-I153 HydrophobicContact CB-CD1 3.59Å; R129-I153 HydrophobicContact CB-CG1 4.02Å; R129-I153 HydrophobicContact CG-CD1 4.45Å; R129-I153 VanDerWaalsContact N-CD1 3.35Å
130Q98.2Very high96.9Very high90 Ų9060.1 Ų60.142%0.42129%0.289SS..Hα-helixtrans-60.2-46.3-179.7-168.961.537.900110.9S126 K127 I132 N133 D134S126-Q130 PolarHBondContact O-N 2.98Å; K127-Q130 PolarHBondContact O-N 3.17Å; Q130-I132 VanDerWaalsContact C-N 3.31Å; Q130-I132 PolarHBondContact O-N 2.75Å; Q130-N133 PolarHBondContact O-N 3.14Å; Q130-N133 VanDerWaalsContact O-N 3.13Å; Q130-D134 PolarHBondContact NE2-OD1 2.73Å; Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 PolarHBondContact O-N 3.5Å
131H98.5Very high96.6Very high72 Ų7265.5 Ų65.533%0.33331%0.314SS..Hα-helixtrans-56.2-43.9177.3-177.295.9000113E118 K127 A128 R129 W135E118-H131 IonicContact OE1-CD2 3.8Å; E118-H131 IonicContact OE1-CE1 3.24Å; E118-H131 PolarHBondContact OE1-CE1 3.24Å; E118-H131 IonicContact OE1-NE2 3.44Å; E118-H131 PolarHBondContact OE1-NE2 2.69Å; E118-H131 IonicContact OE2-NE2 3.8Å; K127-H131 WeakPolarHBondContact O-CB 3.42Å; K127-H131 PolarHBondContact O-N 3.26Å; A128-H131 PolarHBondContact O-N 3.24Å; R129-H131 VanDerWaalsContact C-N 3.34Å; R129-H131 PolarHBondContact O-N 3.17Å; H131-W135 VanDerWaalsContact O-CB 3.31Å; H131-W135 WeakPolarHBondContact O-CB 3.48Å; H131-W135 PolarHBondContact O-N 3.14Å
132I98Very high96.4Very high0 Ų064 Ų640%031%0.312CS..Hα-helixtrans-65.2-45.1177.9-66.4168.1000110.7F94 L120 F122 A128 R129 Q130 W135 V136 I148 T162F94-I132 HydrophobicContact CB-CD1 4.12Å; F94-I132 HydrophobicContact CD1-CD1 4.39Å; F94-I132 HydrophobicContact CD1-CG1 3.92Å; F94-I132 HydrophobicContact CD2-CD1 3.99Å; F94-I132 HydrophobicContact CD2-CG1 3.87Å; F94-I132 HydrophobicContact CD2-CG2 4.2Å; F94-I132 HydrophobicContact CE1-CG1 3.92Å; F94-I132 HydrophobicContact CE2-CB 4.32Å; F94-I132 HydrophobicContact CE2-CD1 4.47Å; F94-I132 HydrophobicContact CE2-CG1 3.89Å; F94-I132 HydrophobicContact CE2-CG2 3.72Å; F94-I132 HydrophobicContact CG-CD1 3.92Å; F94-I132 HydrophobicContact CG-CG1 3.87Å; F94-I132 HydrophobicContact CZ-CB 4.35Å; F94-I132 HydrophobicContact CZ-CG1 3.9Å; F94-I132 HydrophobicContact CZ-CG2 4.13Å; L120-I132 HydrophobicContact CD1-CD1 3.91Å; L120-I132 HydrophobicContact CD1-CG1 3.58Å; F122-I132 HydrophobicContact CE1-CD1 4.12Å; A128-I132 VanDerWaalsContact O-CG1 3.3Å; A128-I132 WeakPolarHBondContact O-CG1 2.75Å; A128-I132 PolarHBondContact O-N 3.46Å; A128-I132 VanDerWaalsContact O-N 3.09Å; R129-I132 PolarHBondContact O-N 2.73Å; Q130-I132 VanDerWaalsContact C-N 3.31Å; Q130-I132 PolarHBondContact O-N 2.75Å; I132-W135 PolarHBondContact O-N 2.77Å; I132-V136 HydrophobicContact CG2-CG2 4.5Å; I132-V136 WeakPolarHBondContact O-CG2 3.42Å; I132-V136 PolarHBondContact O-N 3.2Å; I132-I148 HydrophobicContact CB-CD1 3.98Å; I132-I148 HydrophobicContact CD1-CD1 3.66Å; I132-I148 HydrophobicContact CG1-CD1 4.41Å; I132-I148 HydrophobicContact CG2-CD1 3.5Å; I132-I148 HydrophobicContact CG2-CG1 4.11Å; I132-T162 HydrophobicContact CG2-CG2 3.7Å
133N98.2Very high96.1Very high2 Ų268.2 Ų68.21%0.01133%0.331CS..Hα-helixtrans-64.9-43.3179.2-74.4-7.7000112R129 Q130 W135 V136 E137 D146 L147 I148R129-N133 PolarHBondContact NH1-ND2 2.91Å; R129-N133 PolarHBondContact NH2-ND2 2.91Å; R129-N133 PolarHBondContact O-N 3.44Å; Q130-N133 PolarHBondContact O-N 3.14Å; Q130-N133 VanDerWaalsContact O-N 3.13Å; N133-W135 VanDerWaalsContact C-N 3.28Å; N133-W135 PolarHBondContact O-N 3.01Å; N133-V136 PolarHBondContact O-N 3.19Å; N133-E137 WeakPolarHBondContact O-CB 3.48Å; N133-E137 PolarHBondContact O-N 2.94Å; N133-D146 WeakPolarHBondContact ND2-CA 3.49Å; N133-D146 PolarHBondContact ND2-OD1 3.26Å; N133-L147 PolarHBondContact OD1-N 2.54Å; N133-I148 PolarHBondContact ND2-O 3.49Å; N133-I148 PolarHBondContact OD1-N 3.45Å
134D98.4Very high95.9Very high75 Ų7562.2 Ų62.240%0.40131%0.305SS..Hα-helixtrans-60.4-39.6174.8-63.7-16.8000111.2Q130 K138Q130-D134 PolarHBondContact NE2-OD1 2.73Å; Q130-D134 WeakPolarHBondContact O-CB 3.45Å; Q130-D134 PolarHBondContact O-N 3.5Å; D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.31Å; D134-K138 PolarHBondContact O-N 3.45Å
135W97.7Very high95.7Very high31 Ų3160.8 Ų60.812%0.11730%0.298CS..Hα-helixtrans-65.1-44.6176.5178.287.2000112.2A90 R92 F94 H131 I132 N133 K139A90-W135 HydrophobicContact CB-CH2 4.01Å; A90-W135 HydrophobicContact CB-CZ3 3.84Å; R92-W135 HydrophobicContact CB-CE3 4.47Å; R92-W135 HydrophobicContact CB-CH2 3.38Å; R92-W135 HydrophobicContact CB-CZ2 3.82Å; R92-W135 HydrophobicContact CB-CZ3 3.75Å; R92-W135 HydrophobicContact CG-CH2 4.4Å; R92-W135 HydrophobicContact CG-CZ2 4.41Å; R92-W135 VanDerWaalsContact CZ-CE2 3.47Å; R92-W135 VanDerWaalsContact NE-CZ2 3.28Å; F94-W135 HydrophobicContact CE2-CE3 4.25Å; F94-W135 HydrophobicContact CZ-CD2 4.03Å; F94-W135 AromaticContact CZ-CE3 3.87Å; F94-W135 HydrophobicContact CZ-CE3 3.87Å; F94-W135 HydrophobicContact CZ-CG 4.32Å; F94-W135 HydrophobicContact CZ-CZ3 4.45Å; H131-W135 VanDerWaalsContact O-CB 3.31Å; H131-W135 WeakPolarHBondContact O-CB 3.48Å; H131-W135 PolarHBondContact O-N 3.14Å; I132-W135 PolarHBondContact O-N 2.77Å; N133-W135 VanDerWaalsContact C-N 3.28Å; N133-W135 PolarHBondContact O-N 3.01Å; W135-K139 HydrophobicContact CD2-CG 4.05Å; W135-K139 HydrophobicContact CH2-CG 4.19Å; W135-K139 HydrophobicContact CZ2-CD 4.31Å; W135-K139 HydrophobicContact CZ2-CG 3.69Å; W135-K139 WeakPolarHBondContact O-CB 3.47Å; W135-K139 VanDerWaalsContact O-CG 3.29Å; W135-K139 WeakPolarHBondContact O-CG 3.44Å; W135-K139 PolarHBondContact O-N 3.43Å
136V96Very high95.6Very high1 Ų163.1 Ų63.11%0.00631%0.307CS..Hα-helixtrans-63.9-46.5176.3172.50000110.7I132 N133 K138 K139 T140 I144 L147 A164I132-V136 HydrophobicContact CG2-CG2 4.5Å; I132-V136 WeakPolarHBondContact O-CG2 3.42Å; I132-V136 PolarHBondContact O-N 3.2Å; N133-V136 PolarHBondContact O-N 3.19Å; V136-K138 VanDerWaalsContact C-N 3.34Å; V136-K138 PolarHBondContact O-N 3.25Å; V136-K139 PolarHBondContact O-N 3.22Å; V136-K139 VanDerWaalsContact O-N 3.17Å; V136-T140 HydrophobicContact CG1-CG2 4.46Å; V136-T140 WeakPolarHBondContact O-CB 3.23Å; V136-T140 WeakPolarHBondContact O-CG2 3.26Å; V136-T140 PolarHBondContact O-N 3.46Å; V136-T140 PolarHBondContact O-OG1 3.02Å; V136-I144 HydrophobicContact CG1-CB 4.22Å; V136-I144 HydrophobicContact CG1-CG2 3.88Å; V136-L147 HydrophobicContact CG1-CB 4.36Å; V136-L147 HydrophobicContact CG2-CB 4.34Å; V136-L147 HydrophobicContact CG2-CD2 3.65Å; V136-A164 HydrophobicContact CG1-CB 3.61Å
137E97.1Very high95.6Very high56 Ų5658.8 Ų58.826%0.26228%0.277SS..Hα-helixtrans-59.4-47.1179-174.4170.3-178.300110.4N133 K139 T140 E141 G142 I144 K145N133-E137 WeakPolarHBondContact O-CB 3.48Å; N133-E137 PolarHBondContact O-N 2.94Å; E137-K139 PolarHBondContact O-N 3.26Å; E137-T140 CarbonylContact O-C 3.57Å; E137-T140 PolarHBondContact O-N 2.94Å; E137-T140 PolarHBondContact O-OG1 3.37Å; E137-E141 PolarHBondContact O-N 2.97Å; E137-E141 VanDerWaalsContact O-N 3.15Å; E137-G142 PolarHBondContact O-N 2.91Å; E137-I144 VanDerWaalsContact CA-O 3.25Å; E137-I144 WeakPolarHBondContact CA-O 3.31Å; E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CD 3.12Å; E137-K145 WeakPolarHBondContact OE1-CE 3.45Å; E137-K145 IonicContact OE1-NZ 3.81Å; E137-K145 PolarHBondContact OE1-NZ 3.09Å
138K96.3Very high95.4Very high165 Ų16551.2 Ų51.272%0.71724%0.244SC*.Hα-helixtrans-61-43.5174.7-178.1175-178.6172.80112.5D134 V136 T140 E141D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.31Å; D134-K138 PolarHBondContact O-N 3.45Å; V136-K138 VanDerWaalsContact C-N 3.34Å; V136-K138 PolarHBondContact O-N 3.25Å; K138-T140 PolarHBondContact O-N 3.43Å; K138-E141 PolarHBondContact O-N 3.38Å
139K92.1Very high95.3Very high107 Ų10754.3 Ų54.347%0.46526%0.263SS..Hα-helixtrans-70.6-15.2-179-77.4-68.5179-173.80114.1A90 W135 V136 E137A90-K139 HydrophobicContact CB-CB 3.75Å; W135-K139 HydrophobicContact CD2-CG 4.05Å; W135-K139 HydrophobicContact CH2-CG 4.19Å; W135-K139 HydrophobicContact CZ2-CD 4.31Å; W135-K139 HydrophobicContact CZ2-CG 3.69Å; W135-K139 WeakPolarHBondContact O-CB 3.47Å; W135-K139 VanDerWaalsContact O-CG 3.29Å; W135-K139 WeakPolarHBondContact O-CG 3.44Å; W135-K139 PolarHBondContact O-N 3.43Å; V136-K139 PolarHBondContact O-N 3.22Å; V136-K139 VanDerWaalsContact O-N 3.17Å; E137-K139 PolarHBondContact O-N 3.26Å
140T91.3Very high95.1Very high0 Ų062 Ų620%030%0.297CS..THydrogen-bonded Turntrans-113.518.7178.460.70000111.9A90 V136 E137 K138 G142 K143 I144A90-T140 HydrophobicContact CB-CG2 4.11Å; V136-T140 HydrophobicContact CG1-CG2 4.46Å; V136-T140 WeakPolarHBondContact O-CB 3.23Å; V136-T140 WeakPolarHBondContact O-CG2 3.26Å; V136-T140 PolarHBondContact O-N 3.46Å; V136-T140 PolarHBondContact O-OG1 3.02Å; E137-T140 CarbonylContact O-C 3.57Å; E137-T140 PolarHBondContact O-N 2.94Å; E137-T140 PolarHBondContact O-OG1 3.37Å; K138-T140 PolarHBondContact O-N 3.43Å; T140-G142 PolarHBondContact O-N 2.97Å; T140-K143 WeakPolarHBondContact O-CB 3.35Å; T140-K143 WeakPolarHBondContact O-CG 3.47Å; T140-K143 PolarHBondContact O-N 3.33Å; T140-I144 HydrophobicContact CG2-CB 4.08Å; T140-I144 HydrophobicContact CG2-CD1 4.15Å; T140-I144 HydrophobicContact CG2-CG1 4.24Å; T140-I144 PolarHBondContact OG1-N 2.72Å; T140-I144 VanDerWaalsContact OG1-N 3.09Å; T140-I144 PolarHBondContact OG1-O 2.96Å
141E91.3Very high94.9Very high129 Ų12961.2 Ų61.260%0.60331%0.313SS*.THydrogen-bonded Turntrans51.441.1178.3-60.3-63157.800113.1Y88 E137 K138 K143Y88-E141 HydrophobicContact CD1-CG 4.17Å; Y88-E141 HydrophobicContact CE1-CB 4.39Å; Y88-E141 HydrophobicContact CE1-CG 3.5Å; Y88-E141 HydrophobicContact CE2-CB 4.35Å; Y88-E141 HydrophobicContact CE2-CG 4.29Å; E137-E141 PolarHBondContact O-N 2.97Å; E137-E141 VanDerWaalsContact O-N 3.15Å; K138-E141 PolarHBondContact O-N 3.38Å; E141-K143 VanDerWaalsContact C-N 3.26Å; E141-K143 PolarHBondContact O-N 2.86Å
142G92.6Very high94.7Very high27 Ų2758.9 Ų58.928%0.27831%0.306SS..THydrogen-bonded Turntrans79.7-0.1179.900000115.1E137 T140 K145E137-G142 PolarHBondContact O-N 2.91Å; T140-G142 PolarHBondContact O-N 2.97Å; G142-K145 WeakPolarHBondContact O-CE 3.31Å
143K90.8Very high94.6Very high89 Ų8959.3 Ų59.339%0.38731%0.308SS..SBendtrans-78.9-32.4-173.3-57-61.9-178.2-178.20113.8T140 E141 Y166T140-K143 WeakPolarHBondContact O-CB 3.35Å; T140-K143 WeakPolarHBondContact O-CG 3.47Å; T140-K143 PolarHBondContact O-N 3.33Å; E141-K143 VanDerWaalsContact C-N 3.26Å; E141-K143 PolarHBondContact O-N 2.86Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 3.42Å; K143-Y166 VanDerWaalsContact CB-CD2 3.42Å; K143-Y166 HydrophobicContact CB-CE2 3.68Å; K143-Y166 HydrophobicContact CB-CG 3.78Å; K143-Y166 HydrophobicContact CD-CD2 4.42Å; K143-Y166 HydrophobicContact CD-CE1 4.39Å; K143-Y166 HydrophobicContact CD-CE2 3.79Å; K143-Y166 HydrophobicContact CG-CD1 4.16Å; K143-Y166 HydrophobicContact CG-CD2 3.86Å; K143-Y166 HydrophobicContact CG-CE1 4Å; K143-Y166 HydrophobicContact CG-CE2 3.71Å; K143-Y166 HydrophobicContact CG-CG 4.04Å
144I91.5Very high94.5Very high2 Ų262.9 Ų62.91%0.0133%0.327CS..SBendtrans-116.3119.1178.4-62.5-177.2000109.4V136 E137 T140 A164 I165 K313V136-I144 HydrophobicContact CG1-CB 4.22Å; V136-I144 HydrophobicContact CG1-CG2 3.88Å; E137-I144 VanDerWaalsContact CA-O 3.25Å; E137-I144 WeakPolarHBondContact CA-O 3.31Å; T140-I144 HydrophobicContact CG2-CB 4.08Å; T140-I144 HydrophobicContact CG2-CD1 4.15Å; T140-I144 HydrophobicContact CG2-CG1 4.24Å; T140-I144 PolarHBondContact OG1-N 2.72Å; T140-I144 VanDerWaalsContact OG1-N 3.09Å; T140-I144 PolarHBondContact OG1-O 2.96Å; I144-A164 HydrophobicContact CD1-CB 3.9Å; I144-A164 HydrophobicContact CG2-CB 4.03Å; I144-I165 WeakPolarHBondContact CD1-O 3.25Å; I144-K313 HydrophobicContact CG2-CB 4.25Å; I144-K313 HydrophobicContact CG2-CD 3.6Å; I144-K313 HydrophobicContact CG2-CG 3.92Å
145K94.4Very high94.3Very high100 Ų10062.6 Ų62.644%0.43533%0.331SS..  trans-120.3157.9-179.3-50.7-169.2-172.3-138.60110.9E137 G142 L147 K313E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CD 3.12Å; E137-K145 WeakPolarHBondContact OE1-CE 3.45Å; E137-K145 IonicContact OE1-NZ 3.81Å; E137-K145 PolarHBondContact OE1-NZ 3.09Å; G142-K145 WeakPolarHBondContact O-CE 3.31Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 2.87Å; K145-K313 PolarHBondContact O-NZ 3.26Å
146D95Very high94.2Very high92 Ų9266.2 Ų66.249%0.49235%0.352SS..  trans52.539.2172.2-77-61.7000115.8R129 N133 I148R129-D146 IonicContact CZ-OD1 3.79Å; R129-D146 IonicContact NH1-OD1 2.75Å; R129-D146 IonicContact NH2-OD1 2.76Å; R129-D146 PolarHBondContact NH2-OD1 2.72Å; N133-D146 WeakPolarHBondContact ND2-CA 3.49Å; N133-D146 PolarHBondContact ND2-OD1 3.26Å; D146-I148 VanDerWaalsContact C-N 3.28Å; D146-I148 PolarHBondContact O-N 2.89Å
147L95.6Very high94.3Very high6 Ų666.3 Ų66.33%0.03135%0.353CS..  trans-49.7-46.5179.1174.165.7000113.1N133 V136 K145 T162 F311 K313N133-L147 PolarHBondContact OD1-N 2.54Å; V136-L147 HydrophobicContact CG1-CB 4.36Å; V136-L147 HydrophobicContact CG2-CB 4.34Å; V136-L147 HydrophobicContact CG2-CD2 3.65Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 2.87Å; L147-T162 HydrophobicContact CD2-CG2 3.93Å; L147-F311 HydrophobicContact CD1-CB 3.94Å; L147-F311 HydrophobicContact CD2-CB 4.38Å; L147-F311 HydrophobicContact CG-CB 4.03Å; L147-K313 HydrophobicContact CD1-CB 3.38Å
148I95.1Very high94.2Very high0 Ų067.1 Ų67.10%035%0.354CS..SBendtrans-96.8119.6-179.6-58.8-169.7000108.4R129 I132 N133 D146 A152 I153 V160 T162 F311R129-I148 HydrophobicContact CG-CB 4.14Å; R129-I148 HydrophobicContact CG-CG2 3.94Å; R129-I148 PolarHBondContact NE-O 3.31Å; R129-I148 PolarHBondContact NH2-O 2.97Å; I132-I148 HydrophobicContact CB-CD1 3.98Å; I132-I148 HydrophobicContact CD1-CD1 3.66Å; I132-I148 HydrophobicContact CG1-CD1 4.41Å; I132-I148 HydrophobicContact CG2-CD1 3.5Å; I132-I148 HydrophobicContact CG2-CG1 4.11Å; N133-I148 PolarHBondContact ND2-O 3.49Å; N133-I148 PolarHBondContact OD1-N 3.45Å; D146-I148 VanDerWaalsContact C-N 3.28Å; D146-I148 PolarHBondContact O-N 2.89Å; I148-A152 HydrophobicContact CG2-CB 3.89Å; I148-I153 HydrophobicContact CG2-CG2 4.18Å; I148-V160 HydrophobicContact CD1-CG1 4.14Å; I148-T162 HydrophobicContact CD1-CG2 4.27Å; I148-F311 HydrophobicContact CD1-CD2 3.97Å; I148-F311 HydrophobicContact CD1-CE2 3.93Å; I148-F311 HydrophobicContact CG1-CD2 3.79Å; I148-F311 HydrophobicContact CG1-CE2 3.94Å; I148-F311 HydrophobicContact CG1-CG 4.22Å; I148-F311 HydrophobicContact CG2-CE2 4.09Å; I148-F311 HydrophobicContact CG2-CZ 4.01Å
149P94.9Very high94.3Very high70 Ų7059.3 Ų59.346%0.45532%0.32SS..PPolyproline II helixtrans-71.6163.3177.321.9-24.5000112.5R129 A152R129-P149 PolarHBondContact NE-O 3.14Å; P149-A152 HydrophobicContact CG-CB 3.91Å; P149-A152 WeakPolarHBondContact O-CB 3.46Å; P149-A152 PolarHBondContact O-N 3.32Å
150K95.1Very high94.6Very high189 Ų18954.2 Ų54.282%0.82230%0.297SS*.THydrogen-bonded Turntrans-60.9140.6176.1-69.2-178.9-178175.30109.8A152K150-A152 PolarHBondContact O-N 3.35Å
151G94.1Very high94.8Very high72 Ų7254.3 Ų54.374%0.74230%0.298SS*.THydrogen-bonded Turntrans77.1-6.4179.900000115.8I153G151-I153 VanDerWaalsContact C-N 3.31Å; G151-I153 PolarHBondContact O-N 2.9Å
152A93.6Very high95Very high24 Ų2448.1 Ų48.120%0.19827%0.269CS..SBendtrans-72.9-22.3-177.400000113.9I148 P149 K150 E309 F311I148-A152 HydrophobicContact CG2-CB 3.89Å; P149-A152 HydrophobicContact CG-CB 3.91Å; P149-A152 WeakPolarHBondContact O-CB 3.46Å; P149-A152 PolarHBondContact O-N 3.32Å; K150-A152 PolarHBondContact O-N 3.35Å; A152-E309 WeakPolarHBondContact O-CG 3.28Å; A152-F311 HydrophobicContact CB-CE1 3.98Å; A152-F311 HydrophobicContact CB-CZ 3.71Å
153I95.2Very high95Very high8 Ų846.9 Ų46.94%0.04126%0.256CS..SBendtrans-119146.117261.7174.7000110.5F122 S125 A128 R129 I148 G151 T157 V160F122-I153 HydrophobicContact CD1-CD1 4.12Å; F122-I153 HydrophobicContact CE1-CD1 4.26Å; S125-I153 WeakPolarHBondContact CB-O 3.45Å; S125-I153 WeakPolarHBondContact O-CD1 3.5Å; A128-I153 HydrophobicContact CB-CD1 4.08Å; R129-I153 VanDerWaalsContact CA-CD1 3.48Å; R129-I153 HydrophobicContact CB-CD1 3.59Å; R129-I153 HydrophobicContact CB-CG1 4.02Å; R129-I153 HydrophobicContact CG-CD1 4.45Å; R129-I153 VanDerWaalsContact N-CD1 3.35Å; I148-I153 HydrophobicContact CG2-CG2 4.18Å; G151-I153 VanDerWaalsContact C-N 3.31Å; G151-I153 PolarHBondContact O-N 2.9Å; I153-T157 HydrophobicContact CB-CG2 4.48Å; I153-T157 HydrophobicContact CG2-CG2 4.31Å; I153-V160 HydrophobicContact CG2-CG2 4.07Å
154N96Very high95.1Very high77 Ų7742.7 Ų42.741%0.41224%0.238SC..  trans-144.6-178.9-174.362.149.4000111.2L156 T157N154-L156 PolarHBondContact O-N 3.25Å; N154-L156 VanDerWaalsContact O-N 3.15Å; N154-L156 WeakPolarHBondContact OD1-CA 3.2Å; N154-L156 WeakPolarHBondContact OD1-CB 3.46Å; N154-L156 PolarHBondContact OD1-N 2.92Å; N154-T157 PolarHBondContact N-OG1 3.27Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.44Å; N154-T157 PolarHBondContact O-N 3.39Å; N154-T157 PolarHBondContact O-OG1 3.34Å; N154-T157 VanDerWaalsContact O-OG1 3.06Å; N154-T157 PolarHBondContact OD1-N 2.78Å
155S95.3Very high95.2Very high69 Ų6942.6 Ų42.648%0.48324%0.237SC..THydrogen-bonded Turntrans-64.6-17-177.855.70000114.4R158S155-R158 PolarHBondContact O-NH1 3.1Å
156L94.9Very high95Very high107 Ų10738.2 Ų38.256%0.5622%0.218SC*.THydrogen-bonded Turntrans-90.6-6.7176.1-57178.4000112.7N154 R158 Y306N154-L156 PolarHBondContact O-N 3.25Å; N154-L156 VanDerWaalsContact O-N 3.15Å; N154-L156 WeakPolarHBondContact OD1-CA 3.2Å; N154-L156 WeakPolarHBondContact OD1-CB 3.46Å; N154-L156 PolarHBondContact OD1-N 2.92Å; L156-R158 VanDerWaalsContact C-NH1 3.32Å; L156-R158 PolarHBondContact O-N 3.03Å; L156-R158 PolarHBondContact O-NH1 3.49Å; L156-R158 VanDerWaalsContact O-NH1 3.15Å; L156-Y306 PolarHBondContact O-OH 2.91Å
157T97.1Very high94.7Very high3 Ų333.9 Ų33.92%0.01820%0.195CC..  trans-59.3135.7175-58.30000110.7F122 I153 N154 V160 S308F122-T157 HydrophobicContact CB-CG2 4.44Å; F122-T157 HydrophobicContact CD1-CG2 3.97Å; F122-T157 HydrophobicContact CD2-CG2 3.66Å; F122-T157 WeakPolarHBondContact CD2-O 2.93Å; F122-T157 HydrophobicContact CE1-CG2 4.08Å; F122-T157 HydrophobicContact CE2-CG2 3.77Å; F122-T157 HydrophobicContact CG-CG2 3.78Å; F122-T157 HydrophobicContact CZ-CG2 3.98Å; I153-T157 HydrophobicContact CB-CG2 4.48Å; I153-T157 HydrophobicContact CG2-CG2 4.31Å; N154-T157 PolarHBondContact N-OG1 3.27Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.44Å; N154-T157 PolarHBondContact O-N 3.39Å; N154-T157 PolarHBondContact O-OG1 3.34Å; N154-T157 VanDerWaalsContact O-OG1 3.06Å; N154-T157 PolarHBondContact OD1-N 2.78Å; T157-V160 HydrophobicContact CG2-CG2 3.37Å; T157-S308 WeakPolarHBondContact CA-OG 3.43Å
158R96.5Very high94.2Very high74 Ų7435.9 Ų35.928%0.27920%0.203SC..  trans-121.5-43.8-177.8-65.8-62.4177.4-94.1-1.7113.2G95 Q96 S155 L156 L305 Y306 S308G95-R158 CarbonylContact C-O 3.59Å; G95-R158 WeakPolarHBondContact CA-O 3.4Å; Q96-R158 PolarHBondContact N-O 2.84Å; S155-R158 PolarHBondContact O-NH1 3.1Å; L156-R158 VanDerWaalsContact C-NH1 3.32Å; L156-R158 PolarHBondContact O-N 3.03Å; L156-R158 PolarHBondContact O-NH1 3.49Å; L156-R158 VanDerWaalsContact O-NH1 3.15Å; R158-L305 HydrophobicContact CB-CD1 3.96Å; R158-Y306 HydrophobicContact CB-CD1 4.36Å; R158-Y306 HydrophobicContact CB-CE1 4.12Å; R158-Y306 HydrophobicContact CG-CD1 4.11Å; R158-Y306 HydrophobicContact CG-CE1 3.47Å; R158-Y306 VanDerWaalsContact CG-CE1 3.47Å; R158-S308 PolarHBondContact N-OG 2.99Å
159L98Very high93.8Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-144.9130.5176.9-176.563.1000109.5L93 F94 I117 L161 I299 L305 Y306 V307 S308 E309L93-L159 HydrophobicContact CB-CD1 4.2Å; F94-L159 CarbonylContact O-C 3.46Å; F94-L159 WeakPolarHBondContact O-CA 3.45Å; I117-L159 HydrophobicContact CD1-CD1 4.15Å; L159-L161 HydrophobicContact CD2-CD1 4.24Å; L159-L161 HydrophobicContact CG-CD1 4.05Å; L159-I299 HydrophobicContact CD2-CD1 4.11Å; L159-L305 HydrophobicContact CB-CD1 3.95Å; L159-L305 HydrophobicContact CB-CG 4.49Å; L159-L305 HydrophobicContact CD2-CD2 4.32Å; L159-L305 HydrophobicContact CD2-CG 4.44Å; L159-Y306 WeakPolarHBondContact CB-O 3.48Å; L159-V307 HydrophobicContact CD2-CG2 3.93Å; L159-V307 HydrophobicContact CG-CG2 4.44Å; L159-S308 PolarHBondContact O-N 3Å; L159-E309 PolarHBondContact O-N 3.41Å
160V97.6Very high93.5Very high0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-117.3129.9175.6-177.30000109F94 F122 I148 I153 T157 T162 E309 F311F94-V160 HydrophobicContact CB-CB 4.32Å; F94-V160 PolarHBondContact N-O 3.02Å; F94-V160 PolarHBondContact O-N 3.07Å; F122-V160 HydrophobicContact CE1-CG2 4.07Å; F122-V160 HydrophobicContact CE2-CG2 4.39Å; F122-V160 HydrophobicContact CZ-CB 4.4Å; F122-V160 HydrophobicContact CZ-CG2 3.72Å; I148-V160 HydrophobicContact CD1-CG1 4.14Å; I153-V160 HydrophobicContact CG2-CG2 4.07Å; T157-V160 HydrophobicContact CG2-CG2 3.37Å; V160-T162 HydrophobicContact CG1-CG2 3.97Å; V160-E309 WeakPolarHBondContact CA-O 3.33Å; V160-F311 HydrophobicContact CG1-CD2 3.8Å; V160-F311 HydrophobicContact CG1-CE2 3.79Å
161L97Very high93.4Very high2 Ų224.1 Ų24.11%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-96.5119.8171-82.454.7000108.1L36 T39 L93 L159 M288 V307 E309 A310 F311L36-L161 HydrophobicContact CD2-CD2 3.84Å; T39-L161 HydrophobicContact CG2-CD1 4.42Å; T39-L161 HydrophobicContact CG2-CD2 4.22Å; T39-L161 VanDerWaalsContact OG1-CD2 3.31Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.5Å; T39-L161 WeakPolarHBondContact OG1-CG 3.42Å; L93-L161 HydrophobicContact CD2-CB 4.43Å; L93-L161 HydrophobicContact CD2-CD1 3.6Å; L93-L161 HydrophobicContact CD2-CG 3.59Å; L159-L161 HydrophobicContact CD2-CD1 4.24Å; L159-L161 HydrophobicContact CG-CD1 4.05Å; L161-M288 HydrophobicContact CD2-CE 4.11Å; L161-V307 HydrophobicContact CD1-CB 4.32Å; L161-V307 HydrophobicContact CD1-CG1 3.76Å; L161-V307 HydrophobicContact CD1-CG2 3.59Å; L161-V307 HydrophobicContact CD2-CG1 4.44Å; L161-V307 HydrophobicContact CD2-CG2 4.44Å; L161-E309 PolarHBondContact N-O 3.34Å; L161-A310 HydrophobicContact CB-CB 4Å; L161-A310 HydrophobicContact CD2-CB 4.46Å; L161-A310 WeakPolarHBondContact O-CA 3.37Å; L161-F311 PolarHBondContact O-N 2.86Å
162T94.7Very high93.3Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-114.7128.2175.657.30000110.3R92 F94 I132 L147 I148 V160R92-T162 PolarHBondContact N-O 2.64Å; R92-T162 PolarHBondContact O-N 3.28Å; R92-T162 PolarHBondContact O-OG1 3.46Å; F94-T162 HydrophobicContact CD2-CG2 3.74Å; F94-T162 HydrophobicContact CE2-CG2 3.76Å; F94-T162 VanDerWaalsContact CE2-OG1 3.29Å; F94-T162 WeakPolarHBondContact CE2-OG1 3.48Å; I132-T162 HydrophobicContact CG2-CG2 3.7Å; L147-T162 HydrophobicContact CD2-CG2 3.93Å; I148-T162 HydrophobicContact CD1-CG2 4.27Å; V160-T162 HydrophobicContact CG1-CG2 3.97Å
163N93Very high93.3Very high1 Ų126.3 Ų26.31%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-129.8123.9171.2-178.9-114.4000109.7S31 A35 A90 N91 F311 H312 K313S31-N163 VanDerWaalsContact C-ND2 3.34Å; S31-N163 WeakPolarHBondContact CB-ND2 3.3Å; S31-N163 WeakPolarHBondContact CB-OD1 3.13Å; S31-N163 PolarHBondContact O-ND2 3.06Å; S31-N163 PolarHBondContact OG-ND2 3.05Å; S31-N163 PolarHBondContact OG-OD1 3.48Å; A35-N163 HydrophobicContact CB-CB 4.07Å; A90-N163 WeakPolarHBondContact O-CA 3.49Å; N91-N163 PolarHBondContact ND2-ND2 2.98Å; N91-N163 PolarHBondContact OD1-ND2 3.32Å; N163-F311 PolarHBondContact N-O 3.49Å; N163-H312 VanDerWaalsContact O-CA 3.26Å; N163-H312 WeakPolarHBondContact O-CA 3.33Å; N163-H312 PolarHBondContact OD1-CE1 3.18Å; N163-H312 VanDerWaalsContact OD1-CE1 3.28Å; N163-H312 PolarHBondContact OD1-ND1 3.34Å; N163-K313 PolarHBondContact O-N 2.86Å
164A93.4Very high93.2Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-134.8143.3168.300000110A90 V136 I144 K313A90-A164 HydrophobicContact CB-CB 4.24Å; A90-A164 PolarHBondContact N-O 2.67Å; A90-A164 PolarHBondContact O-N 3.46Å; V136-A164 HydrophobicContact CG1-CB 3.61Å; I144-A164 HydrophobicContact CD1-CB 3.9Å; I144-A164 HydrophobicContact CG2-CB 4.03Å; A164-K313 VanDerWaalsContact CA-O 3.3Å; A164-K313 WeakPolarHBondContact CA-O 3.46Å
165I92.2Very high93.2Very high0 Ų025.2 Ų25.20%013%0.132CC..EExtended strand (participates in β ladder)trans-146.1127.5-180-174.8178000111.3S28 L87 Y88 I89 I144 K313 A314 F315 L366 F367S28-I165 VanDerWaalsContact CB-CG2 3.44Å; S28-I165 WeakPolarHBondContact OG-CD1 3.39Å; L87-I165 HydrophobicContact CD1-CD1 3.86Å; L87-I165 HydrophobicContact CD1-CG1 3.87Å; Y88-I165 VanDerWaalsContact O-CA 3.31Å; Y88-I165 WeakPolarHBondContact O-CA 3.18Å; I89-I165 HydrophobicContact CD1-CD1 4.37Å; I89-I165 HydrophobicContact CG1-CD1 3.94Å; I89-I165 HydrophobicContact CG1-CG1 3.88Å; I144-I165 WeakPolarHBondContact CD1-O 3.25Å; I165-K313 PolarHBondContact N-O 2.86Å; I165-A314 HydrophobicContact CG2-CB 4.16Å; I165-A314 WeakPolarHBondContact O-CA 3.25Å; I165-F315 PolarHBondContact O-N 3.33Å; I165-L366 HydrophobicContact CD1-CD1 3.82Å; I165-L366 HydrophobicContact CD1-CG 4.27Å; I165-F367 HydrophobicContact CB-CZ 4.39Å; I165-F367 HydrophobicContact CD1-CE1 4.34Å; I165-F367 HydrophobicContact CD1-CE2 3.84Å; I165-F367 HydrophobicContact CD1-CZ 3.59Å; I165-F367 HydrophobicContact CG1-CE1 4.42Å; I165-F367 HydrophobicContact CG1-CE2 4.32Å; I165-F367 HydrophobicContact CG1-CZ 3.67Å; I165-F367 HydrophobicContact CG2-CE1 3.84Å; I165-F367 HydrophobicContact CG2-CZ 3.97Å
166Y90.9Very high93.1Very high8 Ų828 Ų283%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-116.2136.2173.9171.3-85.1000108.8E86 L87 Y88 K143 K168 F315E86-Y166 HydrophobicContact CB-CE1 4.03Å; E86-Y166 WeakPolarHBondContact OE2-CE1 3.42Å; L87-Y166 WeakPolarHBondContact CA-O 3.03Å; Y88-Y166 AromaticContact CD2-CD1 3.63Å; Y88-Y166 HydrophobicContact CD2-CD1 3.63Å; Y88-Y166 HydrophobicContact CD2-CE1 4.21Å; Y88-Y166 HydrophobicContact CD2-CG 4.39Å; Y88-Y166 HydrophobicContact CE2-CD1 4.19Å; Y88-Y166 HydrophobicContact CE2-CE1 4.32Å; Y88-Y166 PolarHBondContact N-O 3.2Å; Y88-Y166 PolarHBondContact O-N 3.43Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 3.42Å; K143-Y166 VanDerWaalsContact CB-CD2 3.42Å; K143-Y166 HydrophobicContact CB-CE2 3.68Å; K143-Y166 HydrophobicContact CB-CG 3.78Å; K143-Y166 HydrophobicContact CD-CD2 4.42Å; K143-Y166 HydrophobicContact CD-CE1 4.39Å; K143-Y166 HydrophobicContact CD-CE2 3.79Å; K143-Y166 HydrophobicContact CG-CD1 4.16Å; K143-Y166 HydrophobicContact CG-CD2 3.86Å; K143-Y166 HydrophobicContact CG-CE1 4Å; K143-Y166 HydrophobicContact CG-CE2 3.71Å; K143-Y166 HydrophobicContact CG-CG 4.04Å; Y166-K168 HydrophobicContact CE1-CB 3.63Å; Y166-K168 VanDerWaalsContact OH-CD 3.26Å; Y166-K168 WeakPolarHBondContact OH-CD 3.4Å; Y166-F315 HydrophobicContact CD2-CB 3.98Å; Y166-F315 AromaticContact CD2-CD1 3.43Å; Y166-F315 HydrophobicContact CD2-CD1 3.43Å; Y166-F315 VanDerWaalsContact CD2-CD1 3.43Å; Y166-F315 HydrophobicContact CD2-CE1 4.12Å; Y166-F315 AromaticContact CD2-CG 3.85Å; Y166-F315 HydrophobicContact CD2-CG 3.85Å; Y166-F315 AromaticContact CE2-CD1 3.43Å; Y166-F315 HydrophobicContact CE2-CD1 3.43Å; Y166-F315 VanDerWaalsContact CE2-CD1 3.43Å; Y166-F315 AromaticContact CE2-CE1 3.62Å; Y166-F315 HydrophobicContact CE2-CE1 3.62Å; Y166-F315 HydrophobicContact CE2-CG 4.19Å; Y166-F315 HydrophobicContact CE2-CZ 4.46Å
167F88.3Confident93.1Very high2 Ų226.2 Ų26.21%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-133.4132.6175174-88000110.4Y85 E86 L87 A169 Y219 L224 I357 L366 F367Y85-F167 HydrophobicContact CD2-CE2 4.35Å; Y85-F167 HydrophobicContact CE2-CD2 4.29Å; Y85-F167 AromaticContact CE2-CE2 3.74Å; Y85-F167 HydrophobicContact CE2-CE2 3.74Å; E86-F167 WeakPolarHBondContact O-CA 3.46Å; L87-F167 HydrophobicContact CD1-CB 4.48Å; L87-F167 HydrophobicContact CD1-CD2 4.36Å; F167-A169 HydrophobicContact CE1-CB 3.8Å; F167-A169 HydrophobicContact CE2-CB 4.04Å; F167-A169 HydrophobicContact CZ-CB 3.39Å; F167-Y219 AromaticContact CE1-CE1 3.93Å; F167-Y219 HydrophobicContact CE1-CE1 3.93Å; F167-Y219 AromaticContact CE1-CE2 3.91Å; F167-Y219 HydrophobicContact CE1-CE2 3.91Å; F167-Y219 AromaticContact CE1-CZ 3.56Å; F167-Y219 HydrophobicContact CZ-CD1 4.37Å; F167-Y219 AromaticContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CE1 4.15Å; F167-Y219 AromaticContact CZ-CE2 3.7Å; F167-Y219 HydrophobicContact CZ-CE2 3.7Å; F167-Y219 HydrophobicContact CZ-CG 4.29Å; F167-Y219 AromaticContact CZ-CZ 3.81Å; F167-L224 HydrophobicContact CE2-CD1 3.56Å; F167-L224 HydrophobicContact CZ-CD1 4.18Å; F167-I357 HydrophobicContact CD1-CD1 3.49Å; F167-I357 VanDerWaalsContact CD1-CD1 3.49Å; F167-I357 HydrophobicContact CE1-CD1 3.43Å; F167-I357 VanDerWaalsContact CE1-CD1 3.43Å; F167-I357 HydrophobicContact CE1-CG1 4.5Å; F167-I357 HydrophobicContact CE2-CG2 4.37Å; F167-I357 HydrophobicContact CG-CD1 4.17Å; F167-I357 HydrophobicContact CZ-CD1 4.02Å; F167-I357 HydrophobicContact CZ-CG2 4.18Å; F167-L366 HydrophobicContact CD2-CD2 4.02Å; F167-L366 HydrophobicContact CE2-CD2 4.35Å; F167-F367 HydrophobicContact CB-CD2 4.32Å; F167-F367 HydrophobicContact CB-CE2 3.32Å; F167-F367 HydrophobicContact CB-CZ 3.53Å; F167-F367 HydrophobicContact CD2-CE2 4.3Å; F167-F367 AromaticContact CG-CE2 3.88Å; F167-F367 HydrophobicContact CG-CE2 3.88Å
168K85.8Confident93Very high47 Ų4729.7 Ų29.720%0.20416%0.162CC..EExtended strand (participates in β ladder)trans-147125.2170.2179.3178177.9-176.80108.8E86 Y166 G322E86-K168 HydrophobicContact CB-CB 4.3Å; E86-K168 PolarHBondContact N-O 3.22Å; E86-K168 PolarHBondContact O-N 3.04Å; Y166-K168 HydrophobicContact CE1-CB 3.63Å; Y166-K168 VanDerWaalsContact OH-CD 3.26Å; Y166-K168 WeakPolarHBondContact OH-CD 3.4Å; K168-G322 WeakPolarHBondContact CG-O 3.47Å
169A86Confident93Very high4 Ų429.9 Ų29.93%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-146.4138.6-177.500000111.3G84 Y85 F167 Y219 G322G84-A169 CarbonylContact O-C 3.5Å; G84-A169 VanDerWaalsContact O-CA 3.26Å; G84-A169 WeakPolarHBondContact O-CA 3.17Å; Y85-A169 HydrophobicContact CD2-CB 3.86Å; F167-A169 HydrophobicContact CE1-CB 3.8Å; F167-A169 HydrophobicContact CE2-CB 4.04Å; F167-A169 HydrophobicContact CZ-CB 3.39Å; A169-Y219 HydrophobicContact CB-CD1 3.43Å; A169-Y219 VanDerWaalsContact CB-CD1 3.43Å; A169-Y219 HydrophobicContact CB-CE1 3.91Å; A169-Y219 HydrophobicContact CB-CG 3.86Å; A169-Y219 WeakPolarHBondContact O-CD1 3.29Å; A169-Y219 WeakPolarHBondContact O-CE1 3.36Å; A169-G322 CarbonylContact C-O 3.31Å; A169-G322 VanDerWaalsContact C-O 3.31Å; A169-G322 CarbonylContact O-C 3.43Å; A169-G322 WeakPolarHBondContact O-CA 3.25Å; A169-G322 VanDerWaalsContact O-O 3.13Å
170G88.4Confident93Very high3 Ų330.4 Ų30.43%0.03117%0.172CC..  trans-60.6142.5169.900000112.4G84 Y219 V220 K321 G322 S323G84-G170 PolarHBondContact O-N 3.15Å; G170-Y219 CarbonylContact O-C 3.45Å; G170-Y219 VanDerWaalsContact O-CA 3.25Å; G170-Y219 WeakPolarHBondContact O-CA 3.49Å; G170-Y219 WeakPolarHBondContact O-CB 3.39Å; G170-Y219 WeakPolarHBondContact O-CD1 3.16Å; G170-V220 WeakPolarHBondContact O-CG1 3.37Å; G170-V220 PolarHBondContact O-N 3.38Å; G170-K321 WeakPolarHBondContact CA-O 3.5Å; G170-G322 VanDerWaalsContact CA-C 3.48Å; G170-S323 VanDerWaalsContact CA-N 3.32Å
171W92.7Very high93Very high5 Ų535.7 Ų35.72%0.01920%0.195CC..BIsolated β-bridgetrans-67.5145.1165.6-58118.8000109.9T173 F175 I217 Y219 V220 M226 V318 N319 K321W171-T173 WeakPolarHBondContact CB-O 3.44Å; W171-T173 PolarHBondContact O-N 2.98Å; W171-F175 AromaticContact CD1-CD2 3.88Å; W171-F175 AromaticContact NE1-CD2 3.89Å; W171-F175 AromaticContact NE1-CE2 3.94Å; W171-I217 HydrophobicContact CD2-CG2 4.09Å; W171-I217 HydrophobicContact CE3-CB 4.24Å; W171-I217 HydrophobicContact CE3-CG2 3.49Å; W171-I217 VanDerWaalsContact CE3-CG2 3.49Å; W171-I217 HydrophobicContact CZ3-CB 4.05Å; W171-I217 HydrophobicContact CZ3-CG2 3.82Å; W171-Y219 HydrophobicContact CD2-CD1 4.44Å; W171-Y219 HydrophobicContact CD2-CE1 4.25Å; W171-Y219 AromaticContact CE3-CD1 3.71Å; W171-Y219 HydrophobicContact CE3-CD1 3.71Å; W171-Y219 AromaticContact CE3-CE1 3.58Å; W171-Y219 HydrophobicContact CE3-CE1 3.58Å; W171-Y219 HydrophobicContact CE3-CG 4.38Å; W171-Y219 AromaticContact CH2-CE1 3.75Å; W171-Y219 HydrophobicContact CH2-CE1 3.75Å; W171-Y219 AromaticContact CH2-CZ 3.76Å; W171-Y219 HydrophobicContact CZ2-CE1 4.37Å; W171-Y219 AromaticContact CZ3-CD1 3.85Å; W171-Y219 HydrophobicContact CZ3-CD1 3.85Å; W171-Y219 AromaticContact CZ3-CE1 3.3Å; W171-Y219 HydrophobicContact CZ3-CE1 3.3Å; W171-Y219 HydrophobicContact CZ3-CE2 4.05Å; W171-Y219 HydrophobicContact CZ3-CG 4.43Å; W171-Y219 AromaticContact CZ3-CZ 3.42Å; W171-Y219 VanDerWaalsContact CZ3-CZ 3.42Å; W171-V220 WeakPolarHBondContact O-CG1 3.32Å; W171-M226 HydrophobicContact CH2-CB 3.95Å; W171-M226 HydrophobicContact CH2-CG 4.4Å; W171-M226 HydrophobicContact CH2-SD 3.68Å; W171-M226 HydrophobicContact CZ3-CB 3.81Å; W171-M226 HydrophobicContact CZ3-SD 4.48Å; W171-V318 HydrophobicContact CZ2-CG1 3.96Å; W171-N319 PolarHBondContact NE1-O 3.32Å; W171-K321 PolarHBondContact N-O 3.24Å
172K92.2Very high93Very high101 Ų10139.8 Ų39.844%0.43922%0.22SC..SBendtrans-57.8-36.5168.6-178.7179.7-177.4175.70110.8P218 E222K172-P218 HydrophobicContact CB-CB 4.1Å; K172-P218 WeakPolarHBondContact CB-O 3.45Å; K172-P218 HydrophobicContact CD-CB 4.27Å; K172-P218 PolarHBondContact N-O 3.5Å; K172-E222 HydrophobicContact CD-CG 4.02Å; K172-E222 VanDerWaalsContact CE-CD 3.47Å; K172-E222 WeakPolarHBondContact CE-OE1 3.47Å; K172-E222 IonicContact NZ-OE1 2.72Å; K172-E222 PolarHBondContact NZ-OE1 2.95Å; K172-E222 IonicContact NZ-OE2 2.76Å; K172-E222 PolarHBondContact NZ-OE2 3.32Å
173T93.3Very high93.2Very high42 Ų4240.9 Ų40.926%0.25823%0.227SC..SBendtrans-125.9103.3171.5-59.60000108.8W171 M200 K202W171-T173 WeakPolarHBondContact CB-O 3.44Å; W171-T173 PolarHBondContact O-N 2.98Å; T173-M200 HydrophobicContact CG2-CE 3.98Å; T173-K202 HydrophobicContact CG2-CD 4.23Å; T173-K202 HydrophobicContact CG2-CG 4.21Å
174P94Very high93.4Very high54 Ų5443.7 Ų43.735%0.35125%0.245SC..  trans-64.9153.4178.9-2435.1000113.5M200 E320P174-M200 WeakPolarHBondContact O-CE 3.34Å; P174-E320 WeakPolarHBondContact CA-O 3.01Å; P174-E320 WeakPolarHBondContact CB-O 3.26Å
175F95Very high93.6Very high8 Ų843.7 Ų43.74%0.03525%0.245CC..  trans-78.5144.2169.6-64.2-104.8000110.5W171 S177 M198 M200 I217 V263 E320W171-F175 AromaticContact CD1-CD2 3.88Å; W171-F175 AromaticContact NE1-CD2 3.89Å; W171-F175 AromaticContact NE1-CE2 3.94Å; F175-S177 PolarHBondContact O-N 3.09Å; F175-M198 HydrophobicContact CB-CB 4.34Å; F175-M198 HydrophobicContact CD1-CB 3.65Å; F175-M198 HydrophobicContact CD2-CE 4.41Å; F175-M198 HydrophobicContact CD2-SD 4.39Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.27Å; F175-M198 HydrophobicContact CG-CB 3.97Å; F175-M198 HydrophobicContact CG-SD 4.48Å; F175-M200 HydrophobicContact CB-CE 4.38Å; F175-M200 HydrophobicContact CD1-CB 3.87Å; F175-M200 HydrophobicContact CD1-CE 4Å; F175-M200 HydrophobicContact CD1-CG 3.77Å; F175-M200 HydrophobicContact CD1-SD 3.69Å; F175-M200 HydrophobicContact CD2-CE 4.24Å; F175-M200 HydrophobicContact CD2-SD 4.14Å; F175-M200 HydrophobicContact CE1-CB 4.08Å; F175-M200 HydrophobicContact CE1-CE 4.37Å; F175-M200 HydrophobicContact CE1-CG 3.49Å; F175-M200 VanDerWaalsContact CE1-CG 3.49Å; F175-M200 HydrophobicContact CE1-SD 3.45Å; F175-M200 WeakPolarHBondContact CE1-SD 3.22Å; F175-M200 HydrophobicContact CE2-SD 3.9Å; F175-M200 HydrophobicContact CG-CE 3.93Å; F175-M200 HydrophobicContact CG-SD 4.03Å; F175-M200 HydrophobicContact CZ-CG 4.14Å; F175-M200 HydrophobicContact CZ-SD 3.55Å; F175-M200 VanDerWaalsContact CZ-SD 3.55Å; F175-I217 HydrophobicContact CE2-CD1 4.36Å; F175-I217 HydrophobicContact CZ-CD1 3.95Å; F175-V263 HydrophobicContact CE1-CG1 4.31Å; F175-V263 HydrophobicContact CZ-CG1 4.35Å; F175-E320 HydrophobicContact CB-CB 3.98Å; F175-E320 HydrophobicContact CB-CG 4.13Å; F175-E320 PolarHBondContact N-O 2.74Å
176E94.4Very high93.8Very high128 Ų12846.1 Ų46.160%0.59825%0.254SS*.  trans-78.4115172.2-68.9178.9-139.300109.2A178 L179 T180E176-A178 PolarHBondContact O-N 2.97Å; E176-L179 HydrophobicContact CB-CB 4.41Å; E176-L179 HydrophobicContact CB-CD1 4.02Å; E176-L179 HydrophobicContact CB-CG 3.94Å; E176-L179 WeakPolarHBondContact O-CB 3.34Å; E176-L179 PolarHBondContact O-N 3.35Å; E176-T180 PolarHBondContact O-N 3.14Å
177S94.4Very high94Very high69 Ų6945.9 Ų45.948%0.48325%0.254SS..G310 helixtrans-58.3-24.7-179.9-52.20000113.7F175 L179 T180F175-S177 PolarHBondContact O-N 3.09Å; S177-L179 PolarHBondContact O-N 3.2Å; S177-T180 PolarHBondContact O-N 3.06Å
178A95.8Very high94.2Very high75 Ų7549.8 Ų49.862%0.6227%0.271SS*.G310 helixtrans-66.8-24.3174.700000113.5E176 K181E176-A178 PolarHBondContact O-N 2.97Å; A178-K181 PolarHBondContact O-NZ 2.85Å; A178-K181 VanDerWaalsContact O-NZ 3.16Å
179L96.3Very high94.5Very high78 Ų7855.2 Ų55.241%0.40830%0.297SS..G310 helixtrans-91.6-12.8178.8-57.7-176.6000112.8E176 S177 K181E176-L179 HydrophobicContact CB-CB 4.41Å; E176-L179 HydrophobicContact CB-CD1 4.02Å; E176-L179 HydrophobicContact CB-CG 3.94Å; E176-L179 WeakPolarHBondContact O-CB 3.34Å; E176-L179 PolarHBondContact O-N 3.35Å; S177-L179 PolarHBondContact O-N 3.2Å; L179-K181 PolarHBondContact O-N 2.74Å
180T97.5Very high94.8Very high11 Ų1159.4 Ų59.47%0.06734%0.34CS..  trans-62.4130169-57.30000109.4E176 S177 E196 M197 M198 E320E176-T180 PolarHBondContact O-N 3.14Å; S177-T180 PolarHBondContact O-N 3.06Å; T180-E196 HydrophobicContact CG2-CB 3.91Å; T180-M197 WeakPolarHBondContact CA-O 3.47Å; T180-M198 HydrophobicContact CG2-CG 4.42Å; T180-E320 WeakPolarHBondContact CB-OE1 3.42Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.48Å; T180-E320 VanDerWaalsContact OG1-CG 3.3Å; T180-E320 WeakPolarHBondContact OG1-CG 3.33Å; T180-E320 PolarHBondContact OG1-OE1 2.81Å
181K97.4Very high95.1Very high112 Ų11261.8 Ų61.849%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-136.9138.7178-61.1-64.9168.4-153.70111.4A178 L179 S183 M197A178-K181 PolarHBondContact O-NZ 2.85Å; A178-K181 VanDerWaalsContact O-NZ 3.16Å; L179-K181 PolarHBondContact O-N 2.74Å; K181-S183 PolarHBondContact O-N 2.98Å; K181-S183 PolarHBondContact O-OG 2.9Å; K181-M197 PolarHBondContact N-O 2.66Å; K181-M197 VanDerWaalsContact O-CB 3.32Å; K181-M197 WeakPolarHBondContact O-CB 3.26Å; K181-M197 PolarHBondContact O-N 2.76Å
182T97.9Very high95.3Very high88 Ų8867.2 Ų67.254%0.5438%0.376SS..EExtended strand (participates in β ladder)trans-48124.3163.3-51.10000110.7T194 V195 E196T182-T194 HydrophobicContact CG2-CG2 3.06Å; T182-V195 CarbonylContact C-O 3.58Å; T182-V195 WeakPolarHBondContact CA-O 3.43Å; T182-E196 WeakPolarHBondContact CA-OE1 3.47Å; T182-E196 WeakPolarHBondContact CB-OE1 3.13Å; T182-E196 PolarHBondContact OG1-OE1 2.91Å
183S97.6Very high95.4Very high22 Ų2265.8 Ų65.815%0.15437%0.37CS..EExtended strand (participates in β ladder)trans-144.5159.4-176.9-53.10000110.8K181 V195 M197 R199K181-S183 PolarHBondContact O-N 2.98Å; K181-S183 PolarHBondContact O-OG 2.9Å; S183-V195 PolarHBondContact N-O 2.83Å; S183-V195 PolarHBondContact O-N 3.29Å; S183-M197 VanDerWaalsContact OG-CB 3.28Å; S183-M197 WeakPolarHBondContact OG-CB 2.94Å; S183-R199 PolarHBondContact OG-NH2 3.49Å
184T97.5Very high95.6Very high61 Ų6168.7 Ų68.737%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-76.5138.9175.2-54.80000111Y186 E192 K193T184-Y186 HydrophobicContact CG2-CD1 4.43Å; T184-Y186 HydrophobicContact CG2-CE1 4.07Å; T184-E192 HydrophobicContact CG2-CB 4.03Å; T184-E192 HydrophobicContact CG2-CG 4.2Å; T184-E192 WeakPolarHBondContact CG2-OE2 2.98Å; T184-K193 CarbonylContact C-O 3.52Å
185F98.1Very high95.7Very high0 Ų066.7 Ų66.70%038%0.375CS..EExtended strand (participates in β ladder)trans-121.7126.3169.5-171.1-83.5000109.9V187 E192 K193 V195 P266 A349 D350 H351 P352 F353 Y371 G373F185-V187 HydrophobicContact CD1-CG2 4.03Å; F185-V187 PolarHBondContact O-N 3.23Å; F185-E192 CarbonylContact O-C 3.57Å; F185-E192 WeakPolarHBondContact O-CA 3.33Å; F185-K193 PolarHBondContact N-O 3.19Å; F185-K193 PolarHBondContact O-N 3.29Å; F185-V195 HydrophobicContact CB-CB 4.46Å; F185-V195 HydrophobicContact CB-CG1 3.73Å; F185-V195 HydrophobicContact CB-CG2 3.87Å; F185-V195 HydrophobicContact CD2-CG2 4.49Å; F185-V195 HydrophobicContact CG-CG1 4.31Å; F185-P266 HydrophobicContact CE2-CG 4.44Å; F185-A349 WeakPolarHBondContact CE2-O 3.09Å; F185-D350 CarbonylContact C-O 3.54Å; F185-D350 VanDerWaalsContact CA-O 3.28Å; F185-D350 WeakPolarHBondContact CA-O 3.46Å; F185-D350 VanDerWaalsContact CD2-C 3.47Å; F185-H351 WeakPolarHBondContact CZ-O 3.31Å; F185-P352 HydrophobicContact CE1-CG 4.35Å; F185-F353 HydrophobicContact CE2-CD1 4.41Å; F185-F353 HydrophobicContact CE2-CE1 4.08Å; F185-Y371 HydrophobicContact CD2-CD1 4.5Å; F185-Y371 HydrophobicContact CD2-CE1 4.07Å; F185-Y371 HydrophobicContact CE1-CD1 4.45Å; F185-Y371 HydrophobicContact CE1-CE1 4.45Å; F185-Y371 AromaticContact CE2-CD1 3.68Å; F185-Y371 HydrophobicContact CE2-CD1 3.68Å; F185-Y371 AromaticContact CE2-CE1 3.7Å; F185-Y371 HydrophobicContact CE2-CE1 3.7Å; F185-Y371 AromaticContact CZ-CD1 3.63Å; F185-Y371 HydrophobicContact CZ-CD1 3.63Å; F185-Y371 AromaticContact CZ-CE1 3.89Å; F185-Y371 HydrophobicContact CZ-CE1 3.89Å; F185-G373 VanDerWaalsContact CD1-CA 3.47Å; F185-G373 VanDerWaalsContact CE1-N 3.25Å
186Y97Very high95.9Very high50 Ų5070.2 Ų70.220%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-91.390-176.1-55.3-84.8000111T184 E192 R234 D350 P352T184-Y186 HydrophobicContact CG2-CD1 4.43Å; T184-Y186 HydrophobicContact CG2-CE1 4.07Å; Y186-E192 HydrophobicContact CD1-CG 3.67Å; Y186-E192 VanDerWaalsContact CD1-OE1 3.3Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.18Å; Y186-E192 HydrophobicContact CE1-CG 4.18Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.08Å; Y186-R234 VanDerWaalsContact CD1-NH1 3.32Å; Y186-R234 HydrophobicContact CD2-CG 4.43Å; Y186-R234 HydrophobicContact CG-CG 4.31Å; Y186-D350 HydrophobicContact CD2-CB 4.43Å; Y186-D350 VanDerWaalsContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CD2-O 3.34Å; Y186-D350 HydrophobicContact CE2-CB 4.49Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.33Å; Y186-D350 PolarHBondContact N-O 2.85Å; Y186-P352 WeakPolarHBondContact O-CD 3.29Å
187V95Very high96Very high4 Ų464.3 Ų64.32%0.02436%0.364CS..EExtended strand (participates in β ladder)trans-61.9-48.8-173.4179.40000112.4F185 E191 K193 P352 Y372F185-V187 HydrophobicContact CD1-CG2 4.03Å; F185-V187 PolarHBondContact O-N 3.23Å; V187-E191 HydrophobicContact CB-CB 4.36Å; V187-E191 HydrophobicContact CB-CG 4.16Å; V187-E191 HydrophobicContact CG2-CG 4.47Å; V187-E191 PolarHBondContact N-O 2.94Å; V187-K193 HydrophobicContact CG2-CB 4.15Å; V187-K193 HydrophobicContact CG2-CD 3.77Å; V187-K193 HydrophobicContact CG2-CG 3.77Å; V187-P352 VanDerWaalsContact O-CG 3.27Å; V187-P352 WeakPolarHBondContact O-CG 3.33Å; V187-Y372 WeakPolarHBondContact CG1-O 3.46Å; V187-Y372 WeakPolarHBondContact CG2-O 3.35Å
188K92.5Very high96.2Very high84 Ų8461 Ų6137%0.36534%0.341SS..EExtended strand (participates in β ladder)trans-159.7175.6176.660.4178-171.6-134.70108.8N22 G190 E191 F235N22-K188 HydrophobicContact CB-CD 4.48Å; K188-G190 PolarHBondContact O-N 3.09Å; K188-G190 VanDerWaalsContact O-N 3.09Å; K188-E191 HydrophobicContact CD-CB 4.49Å; K188-E191 WeakPolarHBondContact CE-OE2 3.29Å; K188-E191 HydrophobicContact CG-CB 3.69Å; K188-E191 PolarHBondContact N-O 3.15Å; K188-E191 IonicContact NZ-OE2 3.74Å; K188-E191 PolarHBondContact NZ-OE2 3.32Å; K188-E191 PolarHBondContact O-N 3.34Å; K188-E191 VanDerWaalsContact O-O 3.08Å; K188-F235 VanDerWaalsContact CA-CE1 3.41Å
189Q91.5Very high96.3Very high161 Ų16162 Ų6275%0.75233%0.328SS*.THydrogen-bonded Turntrans-52.4121.2174.5-69-177.6-1.300110.7E191 F235Q189-E191 VanDerWaalsContact C-N 3.29Å; Q189-E191 PolarHBondContact O-N 2.94Å; Q189-F235 HydrophobicContact CB-CE2 4.46Å; Q189-F235 HydrophobicContact CG-CD2 3.67Å; Q189-F235 HydrophobicContact CG-CE2 3.64Å; Q189-F235 HydrophobicContact CG-CG 4.38Å; Q189-F235 HydrophobicContact CG-CZ 4.33Å
190G93.1Very high96.3Very high92 Ų9259.4 Ų59.495%0.94832%0.315SS*.THydrogen-bonded Turntrans76.23.5179.500000116K188K188-G190 PolarHBondContact O-N 3.09Å; K188-G190 VanDerWaalsContact O-N 3.09Å
191E95Very high96.2Very high53 Ų5363.3 Ų63.325%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-124.8120.6173.7-172.4-177.8150.400110.6V187 K188 Q189 K193V187-E191 HydrophobicContact CB-CB 4.36Å; V187-E191 HydrophobicContact CB-CG 4.16Å; V187-E191 HydrophobicContact CG2-CG 4.47Å; V187-E191 PolarHBondContact N-O 2.94Å; K188-E191 HydrophobicContact CD-CB 4.49Å; K188-E191 WeakPolarHBondContact CE-OE2 3.29Å; K188-E191 HydrophobicContact CG-CB 3.69Å; K188-E191 PolarHBondContact N-O 3.15Å; K188-E191 IonicContact NZ-OE2 3.74Å; K188-E191 PolarHBondContact NZ-OE2 3.32Å; K188-E191 PolarHBondContact O-N 3.34Å; K188-E191 VanDerWaalsContact O-O 3.08Å; Q189-E191 VanDerWaalsContact C-N 3.29Å; Q189-E191 PolarHBondContact O-N 2.94Å; E191-K193 WeakPolarHBondContact OE1-CE 3.39Å; E191-K193 IonicContact OE1-NZ 3.68Å; E191-K193 PolarHBondContact OE1-NZ 3.24Å
192E95.4Very high96.2Very high119 Ų11962.5 Ų62.556%0.55633%0.327SS*.EExtended strand (participates in β ladder)trans-123.6151.6177.1-65.4178.7-170.500109.8T184 F185 Y186T184-E192 HydrophobicContact CG2-CB 4.03Å; T184-E192 HydrophobicContact CG2-CG 4.2Å; T184-E192 WeakPolarHBondContact CG2-OE2 2.98Å; F185-E192 CarbonylContact O-C 3.57Å; F185-E192 WeakPolarHBondContact O-CA 3.33Å; Y186-E192 HydrophobicContact CD1-CG 3.67Å; Y186-E192 VanDerWaalsContact CD1-OE1 3.3Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.18Å; Y186-E192 HydrophobicContact CE1-CG 4.18Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.08Å
193K95.3Very high96.1Very high70 Ų7064.6 Ų64.630%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-134.6157.4175.5-70.7-176.6-177.6151.60110.5T184 F185 V187 E191 V374T184-K193 CarbonylContact C-O 3.52Å; F185-K193 PolarHBondContact N-O 3.19Å; F185-K193 PolarHBondContact O-N 3.29Å; V187-K193 HydrophobicContact CG2-CB 4.15Å; V187-K193 HydrophobicContact CG2-CD 3.77Å; V187-K193 HydrophobicContact CG2-CG 3.77Å; E191-K193 WeakPolarHBondContact OE1-CE 3.39Å; E191-K193 IonicContact OE1-NZ 3.68Å; E191-K193 PolarHBondContact OE1-NZ 3.24Å; K193-V374 HydrophobicContact CD-CG2 3.88Å
194T96.7Very high96.1Very high104 Ų10463.7 Ų63.764%0.63832%0.324SS*.EExtended strand (participates in β ladder)trans-92.8128.4172.2-60.30000109.2T182T182-T194 HydrophobicContact CG2-CG2 3.06Å
195V97.3Very high96.1Very high11 Ų1161 Ų617%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-129.2154.4178.1-58.70000110.9T182 S183 F185 M197 P266T182-V195 CarbonylContact C-O 3.58Å; T182-V195 WeakPolarHBondContact CA-O 3.43Å; S183-V195 PolarHBondContact N-O 2.83Å; S183-V195 PolarHBondContact O-N 3.29Å; F185-V195 HydrophobicContact CB-CB 4.46Å; F185-V195 HydrophobicContact CB-CG1 3.73Å; F185-V195 HydrophobicContact CB-CG2 3.87Å; F185-V195 HydrophobicContact CD2-CG2 4.49Å; F185-V195 HydrophobicContact CG-CG1 4.31Å; V195-M197 HydrophobicContact CG2-CE 4.16Å; V195-M197 PolarHBondContact O-N 3.45Å; V195-P266 HydrophobicContact CB-CB 4.38Å; V195-P266 HydrophobicContact CG2-CB 4.13Å
196E97.3Very high96.1Very high82 Ų8261.2 Ų61.238%0.38331%0.308SS..EExtended strand (participates in β ladder)trans-79.9111.6168.5-70.1-57.4115.400109.1T180 T182 P266 K267T180-E196 HydrophobicContact CG2-CB 3.91Å; T182-E196 WeakPolarHBondContact CA-OE1 3.47Å; T182-E196 WeakPolarHBondContact CB-OE1 3.13Å; T182-E196 PolarHBondContact OG1-OE1 2.91Å; E196-P266 WeakPolarHBondContact O-CA 3.41Å; E196-K267 HydrophobicContact CB-CB 4.22Å; E196-K267 PolarHBondContact O-N 3.34Å
197M98Very high96.2Very high4 Ų459.7 Ų59.72%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-97.7112.3-176.8-170.168.774.100109.7T180 K181 S183 V195 R199 D264 I265 P266 D350T180-M197 WeakPolarHBondContact CA-O 3.47Å; K181-M197 PolarHBondContact N-O 2.66Å; K181-M197 VanDerWaalsContact O-CB 3.32Å; K181-M197 WeakPolarHBondContact O-CB 3.26Å; K181-M197 PolarHBondContact O-N 2.76Å; S183-M197 VanDerWaalsContact OG-CB 3.28Å; S183-M197 WeakPolarHBondContact OG-CB 2.94Å; V195-M197 HydrophobicContact CG2-CE 4.16Å; V195-M197 PolarHBondContact O-N 3.45Å; M197-R199 WeakPolarHBondContact O-CG 3.5Å; M197-D264 HydrophobicContact CG-CB 3.73Å; M197-D264 VanDerWaalsContact SD-C 3.5Å; M197-D264 HydrophobicContact SD-CB 3.89Å; M197-I265 PolarHBondContact SD-N 2.8Å; M197-I265 VanDerWaalsContact SD-N 3.36Å; M197-P266 VanDerWaalsContact SD-N 3.41Å; M197-D350 HydrophobicContact CE-CB 4.31Å
198M97.9Very high96.3Very high1 Ų163.5 Ų63.51%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-76.9141175.1-52.4-177.2-62.800109.4F175 T180 D264 I265 K267 V318 E320F175-M198 HydrophobicContact CB-CB 4.34Å; F175-M198 HydrophobicContact CD1-CB 3.65Å; F175-M198 HydrophobicContact CD2-CE 4.41Å; F175-M198 HydrophobicContact CD2-SD 4.39Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.27Å; F175-M198 HydrophobicContact CG-CB 3.97Å; F175-M198 HydrophobicContact CG-SD 4.48Å; T180-M198 HydrophobicContact CG2-CG 4.42Å; M198-D264 WeakPolarHBondContact O-CA 3.47Å; M198-I265 WeakPolarHBondContact CB-O 3.44Å; M198-I265 PolarHBondContact N-O 2.9Å; M198-I265 PolarHBondContact O-N 3.25Å; M198-K267 HydrophobicContact CG-CB 4.09Å; M198-K267 HydrophobicContact SD-CB 4.21Å; M198-V318 HydrophobicContact CE-CG1 3.92Å; M198-E320 HydrophobicContact CG-CG 4.01Å; M198-E320 HydrophobicContact SD-CB 4.39Å; M198-E320 HydrophobicContact SD-CG 3.87Å; M198-E320 PolarHBondContact SD-N 3.18Å
199R97.6Very high96.5Very high95 Ų9562.5 Ų62.536%0.35832%0.323SS..EExtended strand (participates in β ladder)trans-135.5136.6-171.9-47.9-169-178.2-174.2-2.5112.2S183 M197 V263 D264S183-R199 PolarHBondContact OG-NH2 3.49Å; M197-R199 WeakPolarHBondContact O-CG 3.5Å; R199-V263 VanDerWaalsContact CA-O 3.29Å; R199-V263 WeakPolarHBondContact CA-O 3.43Å; R199-D264 VanDerWaalsContact CD-OD1 3.23Å; R199-D264 WeakPolarHBondContact CD-OD1 3.44Å; R199-D264 WeakPolarHBondContact CG-OD1 2.94Å; R199-D264 IonicContact NE-OD1 2.99Å
200M96.4Very high96.6Very high24 Ų2462.5 Ų62.512%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-158.6166.4171.572.9-172.7-1100112.4T173 P174 F175 F204 V263T173-M200 HydrophobicContact CG2-CE 3.98Å; P174-M200 WeakPolarHBondContact O-CE 3.34Å; F175-M200 HydrophobicContact CB-CE 4.38Å; F175-M200 HydrophobicContact CD1-CB 3.87Å; F175-M200 HydrophobicContact CD1-CE 4Å; F175-M200 HydrophobicContact CD1-CG 3.77Å; F175-M200 HydrophobicContact CD1-SD 3.69Å; F175-M200 HydrophobicContact CD2-CE 4.24Å; F175-M200 HydrophobicContact CD2-SD 4.14Å; F175-M200 HydrophobicContact CE1-CB 4.08Å; F175-M200 HydrophobicContact CE1-CE 4.37Å; F175-M200 HydrophobicContact CE1-CG 3.49Å; F175-M200 VanDerWaalsContact CE1-CG 3.49Å; F175-M200 HydrophobicContact CE1-SD 3.45Å; F175-M200 WeakPolarHBondContact CE1-SD 3.22Å; F175-M200 HydrophobicContact CE2-SD 3.9Å; F175-M200 HydrophobicContact CG-CE 3.93Å; F175-M200 HydrophobicContact CG-SD 4.03Å; F175-M200 HydrophobicContact CZ-CG 4.14Å; F175-M200 HydrophobicContact CZ-SD 3.55Å; F175-M200 VanDerWaalsContact CZ-SD 3.55Å; M200-F204 HydrophobicContact CG-CE2 4Å; M200-F204 HydrophobicContact CG-CZ 4.49Å; M200-F204 HydrophobicContact SD-CE2 3.51Å; M200-F204 VanDerWaalsContact SD-CE2 3.51Å; M200-F204 HydrophobicContact SD-CZ 3.44Å; M200-F204 WeakPolarHBondContact SD-CZ 3.44Å; M200-V263 HydrophobicContact CG-CB 4.27Å; M200-V263 PolarHBondContact N-O 2.92Å; M200-V263 PolarHBondContact O-N 2.93Å
201K96.9Very high96.8Very high93 Ų9363.1 Ų63.140%0.40431%0.307SS..EExtended strand (participates in β ladder)trans-130.7105.4175.6-173.9175.3-166.2134.50109.9V261 E262K201-V261 WeakPolarHBondContact CA-O 3.4Å; K201-E262 IonicContact NZ-OE2 3.33Å; K201-E262 PolarHBondContact NZ-OE2 2.75Å
202K96.1Very high96.9Very high94 Ų9461.4 Ų61.441%0.40930%0.299SS..EExtended strand (participates in β ladder)trans-150.8172.6-173.7-15073.7-179.7-1720111.1T173 F204 K260 V261T173-K202 HydrophobicContact CG2-CD 4.23Å; T173-K202 HydrophobicContact CG2-CG 4.21Å; K202-F204 HydrophobicContact CB-CD2 4.2Å; K202-F204 HydrophobicContact CB-CE2 3.61Å; K202-F204 HydrophobicContact CB-CZ 3.82Å; K202-F204 HydrophobicContact CG-CZ 4.36Å; K202-K260 CarbonylContact O-C 3.56Å; K202-K260 WeakPolarHBondContact O-CA 3.4Å; K202-V261 PolarHBondContact N-O 2.84Å; K202-V261 VanDerWaalsContact N-O 3.16Å; K202-V261 PolarHBondContact O-N 3.07Å
203E96.8Very high97.1Very high132 Ų13257 Ų5762%0.61728%0.279SS*.EExtended strand (participates in β ladder)trans-80.3126.7168.7-69.9174.7179.300109.4R259 K260E203-R259 VanDerWaalsContact CA-O 3.31Å; E203-R259 WeakPolarHBondContact CA-O 3.48Å; E203-K260 HydrophobicContact CG-CB 4.22Å
204F97.3Very high97.2Very high4 Ų453.7 Ų53.72%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-144.7155.1175.7-69-56.1000110M200 K202 Y206 L215 I217 E258 R259 V263M200-F204 HydrophobicContact CG-CE2 4Å; M200-F204 HydrophobicContact CG-CZ 4.49Å; M200-F204 HydrophobicContact SD-CE2 3.51Å; M200-F204 VanDerWaalsContact SD-CE2 3.51Å; M200-F204 HydrophobicContact SD-CZ 3.44Å; M200-F204 WeakPolarHBondContact SD-CZ 3.44Å; K202-F204 HydrophobicContact CB-CD2 4.2Å; K202-F204 HydrophobicContact CB-CE2 3.61Å; K202-F204 HydrophobicContact CB-CZ 3.82Å; K202-F204 HydrophobicContact CG-CZ 4.36Å; F204-Y206 PolarHBondContact O-N 3.29Å; F204-Y206 VanDerWaalsContact O-N 3.13Å; F204-L215 HydrophobicContact CB-CD1 3.73Å; F204-L215 HydrophobicContact CD2-CD1 4.38Å; F204-L215 HydrophobicContact CG-CD1 4.37Å; F204-I217 HydrophobicContact CD1-CG2 4.45Å; F204-I217 HydrophobicContact CE1-CG2 4Å; F204-I217 HydrophobicContact CZ-CG2 4.34Å; F204-E258 WeakPolarHBondContact CA-OE2 3.46Å; F204-E258 PolarHBondContact N-OE2 3.24Å; F204-R259 PolarHBondContact N-O 3.05Å; F204-R259 PolarHBondContact O-N 2.96Å; F204-R259 VanDerWaalsContact O-O 3.12Å; F204-V263 HydrophobicContact CD2-CG2 3.96Å; F204-V263 HydrophobicContact CE2-CG2 4.24Å
205P97.7Very high97.3Very high4 Ų448.8 Ų48.83%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-51.9117.7164.3-2935.9000111.2L215 G216 L225 A256 T257 E258P205-L215 CarbonylContact O-C 3.47Å; P205-L215 WeakPolarHBondContact O-CA 3.48Å; P205-G216 VanDerWaalsContact CD-O 3.25Å; P205-G216 WeakPolarHBondContact CD-O 3.2Å; P205-G216 PolarHBondContact O-N 2.97Å; P205-L225 HydrophobicContact CG-CD2 3.93Å; P205-A256 HydrophobicContact CB-CB 3.94Å; P205-T257 WeakPolarHBondContact CA-O 3.44Å; P205-E258 WeakPolarHBondContact CD-OE1 3.28Å
206Y98.6Very high97.3Very high5 Ų548.2 Ų48.22%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-142.1144.1-179.6175.9-86.9000111.4F204 E208 Q213 I214 T257 V261 P345 F347F204-Y206 PolarHBondContact O-N 3.29Å; F204-Y206 VanDerWaalsContact O-N 3.13Å; Y206-E208 HydrophobicContact CE1-CB 4.21Å; Y206-E208 HydrophobicContact CE1-CG 4.17Å; Y206-E208 VanDerWaalsContact OH-CD 3.3Å; Y206-E208 PolarHBondContact OH-OE1 2.98Å; Y206-E208 PolarHBondContact OH-OE2 3.23Å; Y206-Q213 HydrophobicContact CE2-CB 4.43Å; Y206-Q213 PolarHBondContact OH-NE2 3.43Å; Y206-I214 VanDerWaalsContact CA-O 3.29Å; Y206-I214 WeakPolarHBondContact CA-O 3.48Å; Y206-I214 WeakPolarHBondContact CD2-O 3.44Å; Y206-T257 PolarHBondContact N-O 3.49Å; Y206-T257 PolarHBondContact O-N 3.01Å; Y206-T257 VanDerWaalsContact O-N 3.16Å; Y206-V261 HydrophobicContact CD2-CG1 4.07Å; Y206-V261 HydrophobicContact CD2-CG2 3.83Å; Y206-V261 HydrophobicContact CE2-CG1 4.33Å; Y206-V261 HydrophobicContact CG-CG2 3.73Å; Y206-P345 HydrophobicContact CD1-CG 4.1Å; Y206-P345 HydrophobicContact CE1-CB 3.91Å; Y206-P345 HydrophobicContact CE1-CG 3.8Å; Y206-P345 HydrophobicContact CE2-CB 4.32Å; Y206-P345 HydrophobicContact CE2-CG 4.44Å; Y206-F347 HydrophobicContact CE2-CB 4.43Å; Y206-F347 HydrophobicContact CE2-CD2 4.13Å
207S98.2Very high97.3Very high18 Ų1844.3 Ų44.313%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-149.4166.6166.361.50000110.2I214 S255S207-I214 PolarHBondContact N-O 2.91Å; S207-I214 PolarHBondContact O-N 2.84Å; S207-S255 WeakPolarHBondContact CB-O 3.38Å; S207-S255 PolarHBondContact OG-OG 3.4Å
208E97.1Very high97.2Very high83 Ų8344.9 Ų44.939%0.38822%0.216SC..EExtended strand (participates in β ladder)trans-149148.2173.863.8-171.6131.400110.7Y206 L212 Q213 K232 R259Y206-E208 HydrophobicContact CE1-CB 4.21Å; Y206-E208 HydrophobicContact CE1-CG 4.17Å; Y206-E208 VanDerWaalsContact OH-CD 3.3Å; Y206-E208 PolarHBondContact OH-OE1 2.98Å; Y206-E208 PolarHBondContact OH-OE2 3.23Å; E208-L212 CarbonylContact C-O 3.54Å; E208-L212 VanDerWaalsContact CA-O 3.26Å; E208-L212 WeakPolarHBondContact CA-O 3.41Å; E208-Q213 HydrophobicContact CB-CG 4.28Å; E208-K232 IonicContact OE2-NZ 2.78Å; E208-K232 PolarHBondContact OE2-NZ 2.93Å; E208-K232 VanDerWaalsContact OE2-NZ 3.1Å; E208-R259 IonicContact OE1-NH1 2.65Å; E208-R259 PolarHBondContact OE1-NH1 3.31Å
209T95.5Very high96.9Very high63 Ų6345 Ų4539%0.38722%0.217SC..  trans-112.9-176.8168.469.90000108.9E211 L212 K232T209-E211 PolarHBondContact O-N 3.31Å; T209-E211 PolarHBondContact OG1-N 2.96Å; T209-L212 PolarHBondContact N-O 2.88Å; T209-L212 PolarHBondContact OG1-N 2.84Å; T209-K232 WeakPolarHBondContact O-CE 3.47Å; T209-K232 PolarHBondContact O-NZ 3.5Å
210D94.8Very high96.5Very high162 Ų16243.2 Ų43.287%0.86622%0.217SC*.SBendtrans-63.2-25.1172.1-64.4-24.6000112.5K232D210-K232 WeakPolarHBondContact O-CD 3.31Å
211E96.5Very high95.8Very high105 Ų10544.4 Ų44.449%0.49123%0.225SC..SBendtrans-104-29.5-176-64.4-171.1-178.900113.5T209 K232 K243T209-E211 PolarHBondContact O-N 3.31Å; T209-E211 PolarHBondContact OG1-N 2.96Å; E211-K232 WeakPolarHBondContact O-CB 3.48Å; E211-K232 PolarHBondContact O-N 3.37Å; E211-K243 VanDerWaalsContact CD-NZ 3.31Å; E211-K243 IonicContact OE1-NZ 2.74Å; E211-K243 PolarHBondContact OE1-NZ 3.14Å; E211-K243 IonicContact OE2-NZ 2.59Å; E211-K243 PolarHBondContact OE2-NZ 2.88Å
212L98.1Very high95.1Very high16 Ų1645.2 Ų45.28%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-134.1152.6-164.9-53.1178.9000112.5E208 T209 I214 V229 L230 P231 M240 L252E208-L212 CarbonylContact C-O 3.54Å; E208-L212 VanDerWaalsContact CA-O 3.26Å; E208-L212 WeakPolarHBondContact CA-O 3.41Å; T209-L212 PolarHBondContact N-O 2.88Å; T209-L212 PolarHBondContact OG1-N 2.84Å; L212-I214 HydrophobicContact CB-CD1 4.24Å; L212-V229 HydrophobicContact CD1-CG1 4.09Å; L212-L230 CarbonylContact C-O 3.37Å; L212-L230 WeakPolarHBondContact CA-O 3.2Å; L212-P231 HydrophobicContact CD2-CB 4.26Å; L212-P231 HydrophobicContact CD2-CG 4.49Å; L212-M240 HydrophobicContact CD1-CG 4.12Å; L212-M240 HydrophobicContact CD1-SD 4.07Å; L212-M240 HydrophobicContact CD2-CB 4.31Å; L212-M240 HydrophobicContact CD2-CG 3.76Å; L212-M240 HydrophobicContact CD2-SD 3.44Å; L212-M240 WeakPolarHBondContact CD2-SD 3.28Å; L212-M240 HydrophobicContact CG-SD 4.41Å; L212-L252 HydrophobicContact CD1-CD1 3.99Å; L212-L252 HydrophobicContact CD1-CD2 4.1Å
213Q98.6Very high94.7Very high28 Ų2843.6 Ų43.613%0.13122%0.223CC..EExtended strand (participates in β ladder)trans-113.1144.7160.7-60.8-179.6-90.300109.3Y206 E208 L230 K232 K346 F347Y206-Q213 HydrophobicContact CE2-CB 4.43Å; Y206-Q213 PolarHBondContact OH-NE2 3.43Å; E208-Q213 HydrophobicContact CB-CG 4.28Å; Q213-L230 HydrophobicContact CB-CB 4.45Å; Q213-L230 PolarHBondContact N-O 2.84Å; Q213-L230 PolarHBondContact O-N 2.82Å; Q213-K232 HydrophobicContact CG-CG 4.21Å; Q213-K346 PolarHBondContact NE2-O 2.94Å; Q213-F347 HydrophobicContact CB-CD2 3.71Å; Q213-F347 HydrophobicContact CB-CE2 3.71Å
214I98.6Very high94.4Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-129.1130.1-179.1-54.388.2000107.9Y206 S207 L212 Y227 F228 V229 L252 A256Y206-I214 VanDerWaalsContact CA-O 3.29Å; Y206-I214 WeakPolarHBondContact CA-O 3.48Å; Y206-I214 WeakPolarHBondContact CD2-O 3.44Å; S207-I214 PolarHBondContact N-O 2.91Å; S207-I214 PolarHBondContact O-N 2.84Å; L212-I214 HydrophobicContact CB-CD1 4.24Å; I214-Y227 HydrophobicContact CG2-CD1 4.1Å; I214-F228 WeakPolarHBondContact CA-O 3.44Å; I214-V229 HydrophobicContact CG1-CG1 4.38Å; I214-L252 HydrophobicContact CD1-CD2 3.79Å; I214-L252 HydrophobicContact CG1-CB 4.31Å; I214-L252 HydrophobicContact CG1-CD2 4.05Å; I214-A256 HydrophobicContact CG2-CB 4.29Å
215L98.7Very high94.3Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-132.9128.9177.8176.969.6000109.1F204 P205 I217 Y227 F228 V263 I265 F347F204-L215 HydrophobicContact CB-CD1 3.73Å; F204-L215 HydrophobicContact CD2-CD1 4.38Å; F204-L215 HydrophobicContact CG-CD1 4.37Å; P205-L215 CarbonylContact O-C 3.47Å; P205-L215 WeakPolarHBondContact O-CA 3.48Å; L215-I217 HydrophobicContact CD2-CD1 4.13Å; L215-I217 HydrophobicContact CD2-CG1 4.22Å; L215-I217 HydrophobicContact CG-CG1 4.14Å; L215-Y227 CarbonylContact O-C 3.08Å; L215-Y227 VanDerWaalsContact O-CA 3.28Å; L215-Y227 WeakPolarHBondContact O-CA 3.42Å; L215-F228 HydrophobicContact CB-CB 4.48Å; L215-F228 PolarHBondContact N-O 3.11Å; L215-F228 PolarHBondContact O-N 3.44Å; L215-V263 HydrophobicContact CD1-CG2 4.14Å; L215-V263 HydrophobicContact CD2-CB 4.35Å; L215-V263 HydrophobicContact CD2-CG1 3.62Å; L215-V263 HydrophobicContact CD2-CG2 3.77Å; L215-I265 HydrophobicContact CD2-CD1 3.77Å; L215-F347 HydrophobicContact CB-CD1 4.16Å; L215-F347 HydrophobicContact CB-CD2 3.74Å; L215-F347 HydrophobicContact CB-CE1 4.1Å; L215-F347 HydrophobicContact CB-CE2 3.67Å; L215-F347 HydrophobicContact CB-CG 3.99Å; L215-F347 HydrophobicContact CB-CZ 3.87Å; L215-F347 HydrophobicContact CD2-CB 4.27Å; L215-F347 HydrophobicContact CD2-CD1 3.52Å; L215-F347 HydrophobicContact CD2-CD2 4.43Å; L215-F347 HydrophobicContact CD2-CE1 3.9Å; L215-F347 HydrophobicContact CD2-CG 3.82Å; L215-F347 HydrophobicContact CG-CD1 4.5Å; L215-F347 HydrophobicContact CG-CG 4.49Å
216G97.8Very high94.3Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-109.3128170.200000110.2P205 M226P205-G216 VanDerWaalsContact CD-O 3.25Å; P205-G216 WeakPolarHBondContact CD-O 3.2Å; P205-G216 PolarHBondContact O-N 2.97Å; G216-M226 CarbonylContact C-O 3.55Å; G216-M226 WeakPolarHBondContact CA-O 3.43Å
217I96.9Very high94.3Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-113.5116.5174.5-57.1-174.7000108.6W171 F175 F204 L215 L225 M226 F228 V263 I265W171-I217 HydrophobicContact CD2-CG2 4.09Å; W171-I217 HydrophobicContact CE3-CB 4.24Å; W171-I217 HydrophobicContact CE3-CG2 3.49Å; W171-I217 VanDerWaalsContact CE3-CG2 3.49Å; W171-I217 HydrophobicContact CZ3-CB 4.05Å; W171-I217 HydrophobicContact CZ3-CG2 3.82Å; F175-I217 HydrophobicContact CE2-CD1 4.36Å; F175-I217 HydrophobicContact CZ-CD1 3.95Å; F204-I217 HydrophobicContact CD1-CG2 4.45Å; F204-I217 HydrophobicContact CE1-CG2 4Å; F204-I217 HydrophobicContact CZ-CG2 4.34Å; L215-I217 HydrophobicContact CD2-CD1 4.13Å; L215-I217 HydrophobicContact CD2-CG1 4.22Å; L215-I217 HydrophobicContact CG-CG1 4.14Å; I217-L225 WeakPolarHBondContact O-CA 3.48Å; I217-M226 PolarHBondContact N-O 3.15Å; I217-M226 PolarHBondContact O-N 3.37Å; I217-F228 HydrophobicContact CD1-CE2 4.01Å; I217-F228 HydrophobicContact CG1-CE2 4.23Å; I217-V263 HydrophobicContact CD1-CG1 4.33Å; I217-I265 HydrophobicContact CD1-CD1 3.52Å
218P94.9Very high94.3Very high15 Ų1536.4 Ų36.410%0.09719%0.188CC..EExtended strand (participates in β ladder)trans-68.7139178.3-19.431.9000113.2K172 L225K172-P218 HydrophobicContact CB-CB 4.1Å; K172-P218 WeakPolarHBondContact CB-O 3.45Å; K172-P218 HydrophobicContact CD-CB 4.27Å; K172-P218 PolarHBondContact N-O 3.5Å; P218-L225 HydrophobicContact CB-CG 4.32Å; P218-L225 HydrophobicContact CG-CD2 4.4Å; P218-L225 HydrophobicContact CG-CG 4.25Å
219Y91.9Very high94.4Very high3 Ų332.5 Ų32.51%0.01217%0.17CC..BIsolated β-bridgetrans-80.5167.9163.9-68.9-75000111.1F167 A169 G170 W171 T221 E222 L224 M226 I357F167-Y219 AromaticContact CE1-CE1 3.93Å; F167-Y219 HydrophobicContact CE1-CE1 3.93Å; F167-Y219 AromaticContact CE1-CE2 3.91Å; F167-Y219 HydrophobicContact CE1-CE2 3.91Å; F167-Y219 AromaticContact CE1-CZ 3.56Å; F167-Y219 HydrophobicContact CZ-CD1 4.37Å; F167-Y219 AromaticContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CE1 4.15Å; F167-Y219 AromaticContact CZ-CE2 3.7Å; F167-Y219 HydrophobicContact CZ-CE2 3.7Å; F167-Y219 HydrophobicContact CZ-CG 4.29Å; F167-Y219 AromaticContact CZ-CZ 3.81Å; A169-Y219 HydrophobicContact CB-CD1 3.43Å; A169-Y219 VanDerWaalsContact CB-CD1 3.43Å; A169-Y219 HydrophobicContact CB-CE1 3.91Å; A169-Y219 HydrophobicContact CB-CG 3.86Å; A169-Y219 WeakPolarHBondContact O-CD1 3.29Å; A169-Y219 WeakPolarHBondContact O-CE1 3.36Å; G170-Y219 CarbonylContact O-C 3.45Å; G170-Y219 VanDerWaalsContact O-CA 3.25Å; G170-Y219 WeakPolarHBondContact O-CA 3.49Å; G170-Y219 WeakPolarHBondContact O-CB 3.39Å; G170-Y219 WeakPolarHBondContact O-CD1 3.16Å; W171-Y219 HydrophobicContact CD2-CD1 4.44Å; W171-Y219 HydrophobicContact CD2-CE1 4.25Å; W171-Y219 AromaticContact CE3-CD1 3.71Å; W171-Y219 HydrophobicContact CE3-CD1 3.71Å; W171-Y219 AromaticContact CE3-CE1 3.58Å; W171-Y219 HydrophobicContact CE3-CE1 3.58Å; W171-Y219 HydrophobicContact CE3-CG 4.38Å; W171-Y219 AromaticContact CH2-CE1 3.75Å; W171-Y219 HydrophobicContact CH2-CE1 3.75Å; W171-Y219 AromaticContact CH2-CZ 3.76Å; W171-Y219 HydrophobicContact CZ2-CE1 4.37Å; W171-Y219 AromaticContact CZ3-CD1 3.85Å; W171-Y219 HydrophobicContact CZ3-CD1 3.85Å; W171-Y219 AromaticContact CZ3-CE1 3.3Å; W171-Y219 HydrophobicContact CZ3-CE1 3.3Å; W171-Y219 HydrophobicContact CZ3-CE2 4.05Å; W171-Y219 HydrophobicContact CZ3-CG 4.43Å; W171-Y219 AromaticContact CZ3-CZ 3.42Å; W171-Y219 VanDerWaalsContact CZ3-CZ 3.42Å; Y219-T221 PolarHBondContact O-N 3.21Å; Y219-E222 WeakPolarHBondContact O-CA 3.11Å; Y219-E222 PolarHBondContact O-N 2.9Å; Y219-L224 HydrophobicContact CD2-CB 3.88Å; Y219-L224 WeakPolarHBondContact CD2-O 3.3Å; Y219-L224 PolarHBondContact N-O 3.35Å; Y219-M226 HydrophobicContact CE2-CB 3.77Å; Y219-M226 PolarHBondContact OH-SD 3.4Å; Y219-M226 VanDerWaalsContact OH-SD 3.41Å; Y219-I357 HydrophobicContact CE2-CD1 4.43Å; Y219-I357 HydrophobicContact CE2-CG1 4.17Å; Y219-I357 HydrophobicContact CE2-CG2 4.16Å
220V88.3Confident94.5Very high59 Ų5929.6 Ų29.636%0.35815%0.152SC..THydrogen-bonded Turntrans-53.8-26.5179.3-72.80000114.2G170 W171 E222G170-V220 WeakPolarHBondContact O-CG1 3.37Å; G170-V220 PolarHBondContact O-N 3.38Å; W171-V220 WeakPolarHBondContact O-CG1 3.32Å; V220-E222 PolarHBondContact O-N 3.42Å
221T83Confident94.7Very high48 Ų4822 Ų2229%0.29411%0.112SC..THydrogen-bonded Turntrans-74.6-14.5177.460.80000113.1Y85 Y219 K223Y85-T221 HydrophobicContact CD1-CG2 3.7Å; Y85-T221 HydrophobicContact CD2-CG2 3.81Å; Y85-T221 HydrophobicContact CE1-CG2 4.18Å; Y85-T221 HydrophobicContact CE2-CG2 4.32Å; Y85-T221 HydrophobicContact CG-CG2 3.48Å; Y85-T221 VanDerWaalsContact CG-CG2 3.48Å; Y219-T221 PolarHBondContact O-N 3.21Å; T221-K223 PolarHBondContact O-N 3.47Å
222E82.6Confident94.7Very high111 Ų11121.4 Ų21.452%0.51911%0.107SC..SBendtrans57.5-22.1-170.2-51.3-156.9-15900115.8K172 Y219 V220 L224K172-E222 HydrophobicContact CD-CG 4.02Å; K172-E222 VanDerWaalsContact CE-CD 3.47Å; K172-E222 WeakPolarHBondContact CE-OE1 3.47Å; K172-E222 IonicContact NZ-OE1 2.72Å; K172-E222 PolarHBondContact NZ-OE1 2.95Å; K172-E222 IonicContact NZ-OE2 2.76Å; K172-E222 PolarHBondContact NZ-OE2 3.32Å; Y219-E222 WeakPolarHBondContact O-CA 3.11Å; Y219-E222 PolarHBondContact O-N 2.9Å; V220-E222 PolarHBondContact O-N 3.42Å; E222-L224 VanDerWaalsContact C-N 3.33Å
223K86.3Confident94.7Very high60 Ų6026.8 Ų26.826%0.26113%0.132SC..SBendtrans-66.4-35.1174.9-179.9176.1172.9-179.20112.3S75 T221 D359 R360S75-K223 PolarHBondContact O-NZ 2.96Å; S75-K223 PolarHBondContact OG-NZ 2.69Å; T221-K223 PolarHBondContact O-N 3.47Å; K223-D359 WeakPolarHBondContact CE-OD1 3.44Å; K223-D359 WeakPolarHBondContact CE-OD2 3.39Å; K223-D359 WeakPolarHBondContact CG-OD1 3.45Å; K223-D359 IonicContact NZ-OD2 2.71Å; K223-D359 PolarHBondContact NZ-OD2 3.16Å; K223-R360 PolarHBondContact O-N 2.88Å
224L92Very high94.5Very high2 Ų230.3 Ų30.31%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-104.1129.3-179.2-58.6-177.7000110.3F76 Y85 F167 Y219 E222 I357 V358 D359F76-L224 HydrophobicContact CE1-CD2 4.11Å; Y85-L224 HydrophobicContact CE2-CD1 3.63Å; F167-L224 HydrophobicContact CE2-CD1 3.56Å; F167-L224 HydrophobicContact CZ-CD1 4.18Å; Y219-L224 HydrophobicContact CD2-CB 3.88Å; Y219-L224 WeakPolarHBondContact CD2-O 3.3Å; Y219-L224 PolarHBondContact N-O 3.35Å; E222-L224 VanDerWaalsContact C-N 3.33Å; L224-I357 HydrophobicContact CB-CG2 4.39Å; L224-V358 WeakPolarHBondContact CA-O 3.12Å; L224-D359 HydrophobicContact CD2-CB 3.73Å
225L95.2Very high94.3Very high9 Ų933.9 Ų33.95%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-116139.9169.7-74.775.3000108.8P205 I217 P218 Y227 I357 V358 R360P205-L225 HydrophobicContact CG-CD2 3.93Å; I217-L225 WeakPolarHBondContact O-CA 3.48Å; P218-L225 HydrophobicContact CB-CG 4.32Å; P218-L225 HydrophobicContact CG-CD2 4.4Å; P218-L225 HydrophobicContact CG-CG 4.25Å; L225-Y227 HydrophobicContact CB-CD2 4.22Å; L225-Y227 HydrophobicContact CB-CE2 3.75Å; L225-Y227 HydrophobicContact CD2-CE2 4.31Å; L225-I357 WeakPolarHBondContact O-CA 3.23Å; L225-V358 PolarHBondContact N-O 2.86Å; L225-V358 VanDerWaalsContact N-O 3.07Å; L225-V358 PolarHBondContact O-N 2.88Å; L225-R360 HydrophobicContact CD1-CB 4.4Å; L225-R360 HydrophobicContact CD1-CG 4.27Å
226M97Very high94.1Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-89.6116.4162-170.1166174.200109W171 G216 I217 Y219 F228 F268 V318 F355 A356 I357W171-M226 HydrophobicContact CH2-CB 3.95Å; W171-M226 HydrophobicContact CH2-CG 4.4Å; W171-M226 HydrophobicContact CH2-SD 3.68Å; W171-M226 HydrophobicContact CZ3-CB 3.81Å; W171-M226 HydrophobicContact CZ3-SD 4.48Å; G216-M226 CarbonylContact C-O 3.55Å; G216-M226 WeakPolarHBondContact CA-O 3.43Å; I217-M226 PolarHBondContact N-O 3.15Å; I217-M226 PolarHBondContact O-N 3.37Å; Y219-M226 HydrophobicContact CE2-CB 3.77Å; Y219-M226 PolarHBondContact OH-SD 3.4Å; Y219-M226 VanDerWaalsContact OH-SD 3.41Å; M226-F228 HydrophobicContact CB-CE2 4.18Å; M226-F228 HydrophobicContact CE-CD1 4.42Å; M226-F228 HydrophobicContact CE-CE1 3.51Å; M226-F228 HydrophobicContact CE-CE2 4.35Å; M226-F228 HydrophobicContact CE-CZ 3.46Å; M226-F228 VanDerWaalsContact CE-CZ 3.46Å; M226-F228 HydrophobicContact CG-CD2 4.5Å; M226-F228 HydrophobicContact CG-CE2 3.76Å; M226-F228 HydrophobicContact CG-CZ 3.78Å; M226-F228 HydrophobicContact SD-CE1 4.27Å; M226-F228 HydrophobicContact SD-CE2 4.16Å; M226-F228 HydrophobicContact SD-CZ 3.59Å; M226-F228 VanDerWaalsContact SD-CZ 3.59Å; M226-F268 HydrophobicContact CE-CZ 3.81Å; M226-V318 HydrophobicContact CE-CG2 3.83Å; M226-V318 HydrophobicContact SD-CG2 3.9Å; M226-F355 HydrophobicContact CE-CB 3.6Å; M226-F355 HydrophobicContact CE-CD2 3.63Å; M226-F355 HydrophobicContact CE-CG 3.75Å; M226-A356 CarbonylContact C-O 3.56Å; M226-A356 WeakPolarHBondContact CA-O 3.16Å; M226-I357 HydrophobicContact CB-CG1 4.47Å; M226-I357 HydrophobicContact CG-CG1 4.3Å
227Y98Very high94Very high0 Ų034.3 Ų34.30%016%0.164CC..EExtended strand (participates in β ladder)trans-90.5141.9172.1-76.9-82.2000111.3I214 L215 L225 F253 A256 F355 A356 V358 R360I214-Y227 HydrophobicContact CG2-CD1 4.1Å; L215-Y227 CarbonylContact O-C 3.08Å; L215-Y227 VanDerWaalsContact O-CA 3.28Å; L215-Y227 WeakPolarHBondContact O-CA 3.42Å; L225-Y227 HydrophobicContact CB-CD2 4.22Å; L225-Y227 HydrophobicContact CB-CE2 3.75Å; L225-Y227 HydrophobicContact CD2-CE2 4.31Å; Y227-F253 HydrophobicContact CD1-CB 4.27Å; Y227-F253 AromaticContact CD1-CD1 3.59Å; Y227-F253 HydrophobicContact CD1-CD1 3.59Å; Y227-F253 HydrophobicContact CD1-CE1 4.31Å; Y227-F253 HydrophobicContact CD1-CG 4.21Å; Y227-F253 HydrophobicContact CD2-CB 4.33Å; Y227-F253 AromaticContact CD2-CD1 3.9Å; Y227-F253 HydrophobicContact CD2-CD1 3.9Å; Y227-F253 HydrophobicContact CD2-CE1 4.33Å; Y227-F253 HydrophobicContact CD2-CG 4.02Å; Y227-F253 HydrophobicContact CE1-CB 3.98Å; Y227-F253 HydrophobicContact CE1-CD1 4.18Å; Y227-F253 HydrophobicContact CE1-CG 4.41Å; Y227-F253 HydrophobicContact CE2-CB 4.04Å; Y227-F253 HydrophobicContact CE2-CD1 4.45Å; Y227-F253 HydrophobicContact CE2-CG 4.23Å; Y227-F253 HydrophobicContact CG-CB 4.42Å; Y227-F253 AromaticContact CG-CD1 3.41Å; Y227-F253 HydrophobicContact CG-CD1 3.41Å; Y227-F253 VanDerWaalsContact CG-CD1 3.41Å; Y227-F253 AromaticContact CG-CE1 3.8Å; Y227-F253 HydrophobicContact CG-CE1 3.8Å; Y227-F253 AromaticContact CG-CG 4Å; Y227-F253 HydrophobicContact CG-CG 4Å; Y227-F253 PolarHBondContact OH-O 3.24Å; Y227-A256 HydrophobicContact CE1-CB 4.18Å; Y227-F355 CarbonylContact O-C 3.49Å; Y227-F355 WeakPolarHBondContact O-CA 3.45Å; Y227-A356 PolarHBondContact N-O 3.06Å; Y227-A356 PolarHBondContact O-N 3.41Å; Y227-V358 HydrophobicContact CD2-CB 4.03Å; Y227-V358 HydrophobicContact CD2-CG2 3.79Å; Y227-V358 HydrophobicContact CE2-CB 4.13Å; Y227-V358 HydrophobicContact CE2-CG2 4.33Å; Y227-R360 PolarHBondContact OH-NE 3.46Å; Y227-R360 PolarHBondContact OH-NH2 3.39Å
228F98.5Very high93.9Very high1 Ų139.9 Ų39.90%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-121125.4168.8-57.9-94.3000107.5I214 L215 I217 M226 I265 F347 F353 L354 F355I214-F228 WeakPolarHBondContact CA-O 3.44Å; L215-F228 HydrophobicContact CB-CB 4.48Å; L215-F228 PolarHBondContact N-O 3.11Å; L215-F228 PolarHBondContact O-N 3.44Å; I217-F228 HydrophobicContact CD1-CE2 4.01Å; I217-F228 HydrophobicContact CG1-CE2 4.23Å; M226-F228 HydrophobicContact CB-CE2 4.18Å; M226-F228 HydrophobicContact CE-CD1 4.42Å; M226-F228 HydrophobicContact CE-CE1 3.51Å; M226-F228 HydrophobicContact CE-CE2 4.35Å; M226-F228 HydrophobicContact CE-CZ 3.46Å; M226-F228 VanDerWaalsContact CE-CZ 3.46Å; M226-F228 HydrophobicContact CG-CD2 4.5Å; M226-F228 HydrophobicContact CG-CE2 3.76Å; M226-F228 HydrophobicContact CG-CZ 3.78Å; M226-F228 HydrophobicContact SD-CE1 4.27Å; M226-F228 HydrophobicContact SD-CE2 4.16Å; M226-F228 HydrophobicContact SD-CZ 3.59Å; M226-F228 VanDerWaalsContact SD-CZ 3.59Å; F228-I265 HydrophobicContact CD1-CD1 4.29Å; F228-I265 HydrophobicContact CD1-CG2 4.19Å; F228-I265 HydrophobicContact CD2-CD1 3.79Å; F228-I265 HydrophobicContact CE1-CD1 4.1Å; F228-I265 HydrophobicContact CE1-CG2 3.52Å; F228-I265 HydrophobicContact CE2-CD1 3.59Å; F228-I265 HydrophobicContact CG-CD1 4.15Å; F228-I265 HydrophobicContact CZ-CD1 3.75Å; F228-I265 HydrophobicContact CZ-CG2 3.8Å; F228-F347 HydrophobicContact CB-CE1 3.8Å; F228-F347 HydrophobicContact CB-CZ 3.51Å; F228-F347 HydrophobicContact CG-CE1 4.45Å; F228-F353 AromaticContact CD1-CD2 3.96Å; F228-F353 HydrophobicContact CD1-CD2 3.96Å; F228-F353 AromaticContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CZ 4.34Å; F228-F353 AromaticContact CE1-CE2 4Å; F228-F353 HydrophobicContact CE1-CE2 4Å; F228-F353 HydrophobicContact CE1-CZ 4.47Å; F228-L354 WeakPolarHBondContact CA-O 3.37Å; F228-F355 HydrophobicContact CD1-CB 4.26Å; F228-F355 HydrophobicContact CE1-CB 4.45Å
229V98.5Very high93.8Very high1 Ų142.5 Ų42.51%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-115.6108.7174.4-173.50000107.4L212 I214 M240 L252 F253 L354L212-V229 HydrophobicContact CD1-CG1 4.09Å; I214-V229 HydrophobicContact CG1-CG1 4.38Å; V229-M240 HydrophobicContact CB-CE 4.33Å; V229-M240 HydrophobicContact CB-SD 4.48Å; V229-M240 HydrophobicContact CG1-CE 4.02Å; V229-M240 HydrophobicContact CG1-SD 3.62Å; V229-L252 HydrophobicContact CG1-CD1 4.16Å; V229-F253 HydrophobicContact CG2-CE1 3.91Å; V229-L354 HydrophobicContact CB-CB 4.22Å; V229-L354 HydrophobicContact CB-CD2 4.32Å; V229-L354 HydrophobicContact CG2-CD2 4.26Å; V229-L354 PolarHBondContact N-O 2.87Å; V229-L354 PolarHBondContact O-N 2.74Å
230L98.6Very high94Very high1 Ų142.7 Ų42.71%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-109.3117.5-172.2-177.169.3000109.5L212 Q213 F347 T348 A349 H351 F353L212-L230 CarbonylContact C-O 3.37Å; L212-L230 WeakPolarHBondContact CA-O 3.2Å; Q213-L230 HydrophobicContact CB-CB 4.45Å; Q213-L230 PolarHBondContact N-O 2.84Å; Q213-L230 PolarHBondContact O-N 2.82Å; L230-F347 HydrophobicContact CB-CE1 4.46Å; L230-F347 HydrophobicContact CB-CE2 3.73Å; L230-F347 HydrophobicContact CB-CZ 3.58Å; L230-F347 HydrophobicContact CD2-CE1 4.38Å; L230-F347 HydrophobicContact CD2-CE2 4.25Å; L230-F347 HydrophobicContact CD2-CZ 4.16Å; L230-F347 HydrophobicContact CG-CZ 4.48Å; L230-T348 WeakPolarHBondContact CD2-O 3.44Å; L230-A349 HydrophobicContact CD1-CB 4.34Å; L230-H351 VanDerWaalsContact CD1-NE2 3.35Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.39Å; L230-F353 HydrophobicContact CD1-CB 3.83Å
231P98.3Very high94.4Very high4 Ų440.1 Ų40.13%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-60.5138.1167.5-18.731.1000111.1L212 E233 L237 M240 H351L212-P231 HydrophobicContact CD2-CB 4.26Å; L212-P231 HydrophobicContact CD2-CG 4.49Å; P231-E233 WeakPolarHBondContact CB-O 3.36Å; P231-E233 PolarHBondContact O-N 3.1Å; P231-L237 HydrophobicContact CG-CB 4.15Å; P231-L237 HydrophobicContact CG-CD1 4.36Å; P231-M240 HydrophobicContact CG-CB 4.42Å; P231-M240 HydrophobicContact CG-SD 3.92Å; P231-H351 PolarHBondContact O-CE1 3.39Å; P231-H351 PolarHBondContact O-NE2 3.38Å
232K98.1Very high94.9Very high92 Ų9245.8 Ų45.840%0.420%0.202SC..SBendtrans-68.3-26172.4-71.5-179.6171-177.80111.8E208 T209 D210 E211 Q213E208-K232 IonicContact OE2-NZ 2.78Å; E208-K232 PolarHBondContact OE2-NZ 2.93Å; E208-K232 VanDerWaalsContact OE2-NZ 3.1Å; T209-K232 WeakPolarHBondContact O-CE 3.47Å; T209-K232 PolarHBondContact O-NZ 3.5Å; D210-K232 WeakPolarHBondContact O-CD 3.31Å; E211-K232 WeakPolarHBondContact O-CB 3.48Å; E211-K232 PolarHBondContact O-N 3.37Å; Q213-K232 HydrophobicContact CG-CG 4.21Å
233E96.8Very high95.5Very high129 Ų12944.6 Ų44.660%0.60320%0.196SC*.SBendtrans-85.7122171-174-172.4174.700110.6P231 F235 G236P231-E233 WeakPolarHBondContact CB-O 3.36Å; P231-E233 PolarHBondContact O-N 3.1Å; E233-F235 PolarHBondContact O-N 3.26Å; E233-G236 PolarHBondContact O-N 2.83Å
234R94.5Very high96Very high102 Ų10242.7 Ų42.739%0.38519%0.188SC..THydrogen-bonded Turntrans-47.6-31.5-174.5-170.1179.4-76.3-178.41.3115.9Y186 H351Y186-R234 VanDerWaalsContact CD1-NH1 3.32Å; Y186-R234 HydrophobicContact CD2-CG 4.43Å; Y186-R234 HydrophobicContact CG-CG 4.31Å; R234-H351 VanDerWaalsContact CA-CD2 3.47Å; R234-H351 WeakPolarHBondContact CA-CD2 3.44Å; R234-H351 HydrophobicContact CB-CB 4.48Å; R234-H351 HydrophobicContact CG-CB 3.58Å; R234-H351 WeakPolarHBondContact O-CB 3.22Å; R234-H351 PolarHBondContact O-CD2 3.03Å
235F94.1Very high96.1Very high75 Ų7546 Ų4633%0.32921%0.205SC..THydrogen-bonded Turntrans-119.520.3-179.7-52.2-57.1000112.8K188 Q189 E233 L237K188-F235 VanDerWaalsContact CA-CE1 3.41Å; Q189-F235 HydrophobicContact CB-CE2 4.46Å; Q189-F235 HydrophobicContact CG-CD2 3.67Å; Q189-F235 HydrophobicContact CG-CE2 3.64Å; Q189-F235 HydrophobicContact CG-CG 4.38Å; Q189-F235 HydrophobicContact CG-CZ 4.33Å; E233-F235 PolarHBondContact O-N 3.26Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.1Å
236G95.3Very high96.1Very high7 Ų745.8 Ų45.87%0.07221%0.206CC..  trans-76.7-8.8-175.300000115E233 K238 N239 M240E233-G236 PolarHBondContact O-N 2.83Å; G236-K238 VanDerWaalsContact C-N 3.34Å; G236-K238 PolarHBondContact O-N 2.97Å; G236-N239 WeakPolarHBondContact O-CA 3.16Å; G236-N239 WeakPolarHBondContact O-CB 3.4Å; G236-N239 PolarHBondContact O-N 3.33Å; G236-M240 PolarHBondContact O-N 2.81Å
237L96Very high96Very high2 Ų249.4 Ų49.41%0.0123%0.227CC..Hα-helixtrans-56.3-45-172.2-178.362.6000112.8P231 F235 N239 M240 M241 P352 L354 D370 Y372P231-L237 HydrophobicContact CG-CB 4.15Å; P231-L237 HydrophobicContact CG-CD1 4.36Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.1Å; L237-N239 VanDerWaalsContact C-N 3.26Å; L237-N239 PolarHBondContact O-N 2.58Å; L237-M240 HydrophobicContact CD1-CE 3.35Å; L237-M240 HydrophobicContact CD1-SD 4.4Å; L237-M240 WeakPolarHBondContact O-CB 3.27Å; L237-M240 PolarHBondContact O-N 2.74Å; L237-M241 HydrophobicContact CD1-CG 4.07Å; L237-M241 HydrophobicContact CD1-SD 4.41Å; L237-M241 HydrophobicContact CG-CG 4.3Å; L237-M241 WeakPolarHBondContact O-CG 3.2Å; L237-M241 PolarHBondContact O-N 3.29Å; L237-P352 HydrophobicContact CB-CB 4.1Å; L237-P352 HydrophobicContact CD2-CB 3.6Å; L237-P352 HydrophobicContact CG-CB 4.48Å; L237-L354 HydrophobicContact CD1-CB 4.21Å; L237-D370 HydrophobicContact CD2-CB 3.75Å; L237-Y372 HydrophobicContact CD2-CE2 3.89Å
238K93.3Very high95.9Very high116 Ų11654.3 Ų54.350%0.50425%0.249SC..Hα-helixtrans-63.2-33178.5-175.2179.8178.41780112.5G236 R242G236-K238 VanDerWaalsContact C-N 3.34Å; G236-K238 PolarHBondContact O-N 2.97Å; K238-R242 WeakPolarHBondContact O-CG 3.29Å; K238-R242 PolarHBondContact O-N 2.93Å; K238-R242 PolarHBondContact O-NE 3.01Å; K238-R242 VanDerWaalsContact O-NE 3.14Å
239N94.2Very high95.9Very high71 Ų7154.3 Ų54.338%0.3825%0.249SC..Hα-helixtrans-74.2-44.3176.2-169.343.1000110.6G236 L237 M241 R242 K243G236-N239 WeakPolarHBondContact O-CA 3.16Å; G236-N239 WeakPolarHBondContact O-CB 3.4Å; G236-N239 PolarHBondContact O-N 3.33Å; L237-N239 VanDerWaalsContact C-N 3.26Å; L237-N239 PolarHBondContact O-N 2.58Å; N239-M241 PolarHBondContact O-N 3.34Å; N239-R242 PolarHBondContact O-N 2.99Å; N239-K243 WeakPolarHBondContact ND2-CE 3.49Å; N239-K243 WeakPolarHBondContact O-CG 3.46Å; N239-K243 PolarHBondContact O-N 3.32Å
240M95.9Very high95.7Very high7 Ų754.9 Ų54.93%0.03425%0.252CS..Hα-helixtrans-54.7-54173.8-179.4-171.691.500111.1L212 V229 P231 G236 L237 R242 K243 L244 L354L212-M240 HydrophobicContact CD1-CG 4.12Å; L212-M240 HydrophobicContact CD1-SD 4.07Å; L212-M240 HydrophobicContact CD2-CB 4.31Å; L212-M240 HydrophobicContact CD2-CG 3.76Å; L212-M240 HydrophobicContact CD2-SD 3.44Å; L212-M240 WeakPolarHBondContact CD2-SD 3.28Å; L212-M240 HydrophobicContact CG-SD 4.41Å; V229-M240 HydrophobicContact CB-CE 4.33Å; V229-M240 HydrophobicContact CB-SD 4.48Å; V229-M240 HydrophobicContact CG1-CE 4.02Å; V229-M240 HydrophobicContact CG1-SD 3.62Å; P231-M240 HydrophobicContact CG-CB 4.42Å; P231-M240 HydrophobicContact CG-SD 3.92Å; G236-M240 PolarHBondContact O-N 2.81Å; L237-M240 HydrophobicContact CD1-CE 3.35Å; L237-M240 HydrophobicContact CD1-SD 4.4Å; L237-M240 WeakPolarHBondContact O-CB 3.27Å; L237-M240 PolarHBondContact O-N 2.74Å; M240-R242 PolarHBondContact O-N 2.81Å; M240-K243 PolarHBondContact O-N 3.48Å; M240-L244 HydrophobicContact CE-CD1 4Å; M240-L244 HydrophobicContact CG-CD1 4.09Å; M240-L244 HydrophobicContact CG-CG 4.33Å; M240-L244 WeakPolarHBondContact O-CG 3.27Å; M240-L244 PolarHBondContact O-N 2.93Å; M240-L244 VanDerWaalsContact O-N 3.14Å; M240-L354 HydrophobicContact CE-CB 3.56Å; M240-L354 HydrophobicContact CE-CD2 4.15Å; M240-L354 HydrophobicContact CE-CG 4.47Å
241M95.9Very high95.6Very high4 Ų459 Ų592%0.0227%0.274CS..Hα-helixtrans-58.3-34.1-178.5-68.8-52.5-69.500112.5L12 Y15 H16 L237 N239 K243 L244 L354L12-M241 HydrophobicContact CD2-CE 4.04Å; Y15-M241 HydrophobicContact CD1-CE 3.47Å; Y15-M241 VanDerWaalsContact CD1-CE 3.47Å; Y15-M241 HydrophobicContact CD2-CE 4.31Å; Y15-M241 HydrophobicContact CE1-CB 4.21Å; Y15-M241 HydrophobicContact CE1-CE 3.27Å; Y15-M241 HydrophobicContact CE1-CG 4.06Å; Y15-M241 HydrophobicContact CE1-SD 4.46Å; Y15-M241 HydrophobicContact CE2-CE 4.14Å; Y15-M241 HydrophobicContact CG-CE 4.02Å; H16-M241 PolarHBondContact CE1-O 3.04Å; H16-M241 VanDerWaalsContact CE1-O 3.22Å; H16-M241 PolarHBondContact NE2-O 3.26Å; L237-M241 HydrophobicContact CD1-CG 4.07Å; L237-M241 HydrophobicContact CD1-SD 4.41Å; L237-M241 HydrophobicContact CG-CG 4.3Å; L237-M241 WeakPolarHBondContact O-CG 3.2Å; L237-M241 PolarHBondContact O-N 3.29Å; N239-M241 PolarHBondContact O-N 3.34Å; M241-K243 VanDerWaalsContact C-N 3.34Å; M241-K243 PolarHBondContact O-N 2.88Å; M241-L244 HydrophobicContact SD-CD1 3.79Å; M241-L354 HydrophobicContact CE-CD1 4Å; M241-L354 HydrophobicContact SD-CB 4.34Å; M241-L354 HydrophobicContact SD-CD1 3.96Å; M241-L354 HydrophobicContact SD-CD2 4.17Å; M241-L354 HydrophobicContact SD-CG 4.38Å
242R94.1Very high95.5Very high167 Ų16759.8 Ų59.863%0.6328%0.278SS*.Hα-helixtrans-70.3-26.5176.2-78.6-175.6-84.7-176.80.6114.1K238 N239 M240K238-R242 WeakPolarHBondContact O-CG 3.29Å; K238-R242 PolarHBondContact O-N 2.93Å; K238-R242 PolarHBondContact O-NE 3.01Å; K238-R242 VanDerWaalsContact O-NE 3.14Å; N239-R242 PolarHBondContact O-N 2.99Å; M240-R242 PolarHBondContact O-N 2.81Å
243K95Very high95.4Very high87 Ų8755.6 Ų55.638%0.37826%0.259SS..Hα-helixtrans-89.8-17.4-179.8-66179.5-174.41790113.2E211 N239 M240 M241 K248E211-K243 VanDerWaalsContact CD-NZ 3.31Å; E211-K243 IonicContact OE1-NZ 2.74Å; E211-K243 PolarHBondContact OE1-NZ 3.14Å; E211-K243 IonicContact OE2-NZ 2.59Å; E211-K243 PolarHBondContact OE2-NZ 2.88Å; N239-K243 WeakPolarHBondContact ND2-CE 3.49Å; N239-K243 WeakPolarHBondContact O-CG 3.46Å; N239-K243 PolarHBondContact O-N 3.32Å; M240-K243 PolarHBondContact O-N 3.48Å; M241-K243 VanDerWaalsContact C-N 3.34Å; M241-K243 PolarHBondContact O-N 2.88Å; K243-K248 PolarHBondContact O-NZ 2.89Å
244L95.9Very high95.3Very high19 Ų1954.6 Ų54.610%0.09926%0.258CS..  trans-73.5141.1-177.9-76.3175.5000111.5L12 M240 M241 K248 L249 L252 L354L12-L244 HydrophobicContact CD1-CB 4.43Å; M240-L244 HydrophobicContact CE-CD1 4Å; M240-L244 HydrophobicContact CG-CD1 4.09Å; M240-L244 HydrophobicContact CG-CG 4.33Å; M240-L244 WeakPolarHBondContact O-CG 3.27Å; M240-L244 PolarHBondContact O-N 2.93Å; M240-L244 VanDerWaalsContact O-N 3.14Å; M241-L244 HydrophobicContact SD-CD1 3.79Å; L244-K248 HydrophobicContact CD2-CB 4.32Å; L244-L249 HydrophobicContact CD1-CD1 4.43Å; L244-L252 HydrophobicContact CD2-CD1 3.64Å; L244-L354 HydrophobicContact CD1-CD2 4.19Å
245N95.9Very high95.4Very high71 Ų7152.2 Ų52.238%0.3826%0.258SS..  trans-134.7173.9165.966.236.2000108.2T247 K248 L249N245-T247 PolarHBondContact O-N 2.89Å; N245-T247 PolarHBondContact OD1-N 2.86Å; N245-K248 PolarHBondContact O-N 3.27Å; N245-K248 WeakPolarHBondContact OD1-CG 3.18Å; N245-K248 PolarHBondContact OD1-N 3.26Å; N245-L249 WeakPolarHBondContact O-CB 3.48Å; N245-L249 PolarHBondContact O-N 3.4Å
246A95.1Very high95.5Very high6 Ų648.8 Ų48.85%0.0524%0.243CC..Hα-helixtrans-54.6-48.9-174.700000113V5 A8 D9 L249 L250V5-A246 HydrophobicContact CG1-CB 3.61Å; A8-A246 HydrophobicContact CB-CB 3.9Å; D9-A246 HydrophobicContact CB-CB 3.82Å; A246-L249 PolarHBondContact O-N 3.37Å; A246-L250 WeakPolarHBondContact O-CG 3.38Å; A246-L250 PolarHBondContact O-N 3.43Å; A246-L250 VanDerWaalsContact O-N 3.08Å
247T95.1Very high95.6Very high75 Ų7553 Ų5346%0.4627%0.267SS..Hα-helixtrans-61.5-51.7179.3-54.40000111.2N245 L249 L250 D251N245-T247 PolarHBondContact O-N 2.89Å; N245-T247 PolarHBondContact OD1-N 2.86Å; T247-L249 VanDerWaalsContact C-N 3.27Å; T247-L249 PolarHBondContact O-N 3.3Å; T247-L250 PolarHBondContact O-N 2.83Å; T247-L250 VanDerWaalsContact O-N 3.16Å; T247-D251 WeakPolarHBondContact O-CB 3.46Å; T247-D251 PolarHBondContact O-N 3.16Å
248K95.8Very high95.6Very high104 Ų10458.6 Ų58.645%0.45229%0.293SS..Hα-helixtrans-58.7-39.4178.4-71.5-179.2-177.8-179.60112.4K243 L244 N245 D251 L252K243-K248 PolarHBondContact O-NZ 2.89Å; L244-K248 HydrophobicContact CD2-CB 4.32Å; N245-K248 PolarHBondContact O-N 3.27Å; N245-K248 WeakPolarHBondContact OD1-CG 3.18Å; N245-K248 PolarHBondContact OD1-N 3.26Å; K248-D251 PolarHBondContact O-N 3.35Å; K248-L252 VanDerWaalsContact O-CG 3.22Å; K248-L252 WeakPolarHBondContact O-CG 3.49Å; K248-L252 PolarHBondContact O-N 2.5Å
249L96.8Very high95.7Very high0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-64.3-44.4179.2-17963.7000111.3L12 L244 N245 A246 T247 L252 F253 L354 I365 I368L12-L249 HydrophobicContact CD1-CB 4.37Å; L12-L249 HydrophobicContact CD1-CD2 4.23Å; L12-L249 HydrophobicContact CD2-CD2 4.1Å; L12-L249 HydrophobicContact CG-CD2 4.13Å; L244-L249 HydrophobicContact CD1-CD1 4.43Å; N245-L249 WeakPolarHBondContact O-CB 3.48Å; N245-L249 PolarHBondContact O-N 3.4Å; A246-L249 PolarHBondContact O-N 3.37Å; T247-L249 VanDerWaalsContact C-N 3.27Å; T247-L249 PolarHBondContact O-N 3.3Å; L249-L252 PolarHBondContact O-N 3.24Å; L249-F253 HydrophobicContact CD1-CE1 3.99Å; L249-F253 HydrophobicContact CD1-CE2 4Å; L249-F253 HydrophobicContact CD1-CZ 3.48Å; L249-F253 VanDerWaalsContact CD1-CZ 3.48Å; L249-F253 HydrophobicContact CD2-CE2 4.31Å; L249-F253 HydrophobicContact CD2-CZ 4.39Å; L249-F253 HydrophobicContact CG-CE2 3.75Å; L249-F253 HydrophobicContact CG-CZ 3.79Å; L249-F253 WeakPolarHBondContact O-CD2 3.2Å; L249-F253 WeakPolarHBondContact O-CG 3.5Å; L249-F253 PolarHBondContact O-N 3.08Å; L249-L354 HydrophobicContact CD1-CD2 3.79Å; L249-I365 HydrophobicContact CD2-CD1 3.65Å; L249-I368 HydrophobicContact CD2-CD1 3.97Å
250L95.6Very high95.8Very high13 Ų1359.7 Ų59.77%0.06829%0.292CS..Hα-helixtrans-66.9-43.6176.6-66.1171.1000111.2D4 V5 A8 A246 T247 L252 F253 D254D4-L250 HydrophobicContact CB-CD1 4.12Å; V5-L250 HydrophobicContact CB-CD1 4.32Å; V5-L250 HydrophobicContact CG2-CD1 3.85Å; A8-L250 HydrophobicContact CB-CD1 4.16Å; A8-L250 HydrophobicContact CB-CD2 4.32Å; A8-L250 HydrophobicContact CB-CG 4.13Å; A246-L250 WeakPolarHBondContact O-CG 3.38Å; A246-L250 PolarHBondContact O-N 3.43Å; A246-L250 VanDerWaalsContact O-N 3.08Å; T247-L250 PolarHBondContact O-N 2.83Å; T247-L250 VanDerWaalsContact O-N 3.16Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 2.76Å; L250-F253 HydrophobicContact CD2-CD2 4.46Å; L250-F253 WeakPolarHBondContact O-CB 3.3Å; L250-F253 PolarHBondContact O-N 3.29Å; L250-D254 PolarHBondContact O-N 2.9Å
251D95.6Very high95.9Very high88 Ų8859.4 Ų59.447%0.47129%0.29SS..Hα-helixtrans-57.9-38.7175.9-65.3-20.5000111.7T247 K248 D254 S255T247-D251 WeakPolarHBondContact O-CB 3.46Å; T247-D251 PolarHBondContact O-N 3.16Å; K248-D251 PolarHBondContact O-N 3.35Å; D251-D254 PolarHBondContact O-N 3.35Å; D251-S255 VanDerWaalsContact O-CB 3.25Å; D251-S255 WeakPolarHBondContact O-CB 3.41Å; D251-S255 PolarHBondContact O-N 2.97Å; D251-S255 PolarHBondContact O-OG 3.49Å
252L96.7Very high96.1Very high20 Ų2061.6 Ų61.611%0.10530%0.301CS..Hα-helixtrans-60.5-46.4174.1-73.8172.9000111.1L212 I214 V229 L244 K248 L249 L250 S255L212-L252 HydrophobicContact CD1-CD1 3.99Å; L212-L252 HydrophobicContact CD1-CD2 4.1Å; I214-L252 HydrophobicContact CD1-CD2 3.79Å; I214-L252 HydrophobicContact CG1-CB 4.31Å; I214-L252 HydrophobicContact CG1-CD2 4.05Å; V229-L252 HydrophobicContact CG1-CD1 4.16Å; L244-L252 HydrophobicContact CD2-CD1 3.64Å; K248-L252 VanDerWaalsContact O-CG 3.22Å; K248-L252 WeakPolarHBondContact O-CG 3.49Å; K248-L252 PolarHBondContact O-N 2.5Å; L249-L252 PolarHBondContact O-N 3.24Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 2.76Å; L252-S255 PolarHBondContact O-OG 2.8Å
253F95.8Very high96.3Very high4 Ų453.6 Ų53.62%0.01827%0.271CS..Hα-helixtrans-65.7-39.1177.9-58.2-28.8000112.5Y227 V229 L249 L250 A356 V358 R360 I365Y227-F253 HydrophobicContact CD1-CB 4.27Å; Y227-F253 AromaticContact CD1-CD1 3.59Å; Y227-F253 HydrophobicContact CD1-CD1 3.59Å; Y227-F253 HydrophobicContact CD1-CE1 4.31Å; Y227-F253 HydrophobicContact CD1-CG 4.21Å; Y227-F253 HydrophobicContact CD2-CB 4.33Å; Y227-F253 AromaticContact CD2-CD1 3.9Å; Y227-F253 HydrophobicContact CD2-CD1 3.9Å; Y227-F253 HydrophobicContact CD2-CE1 4.33Å; Y227-F253 HydrophobicContact CD2-CG 4.02Å; Y227-F253 HydrophobicContact CE1-CB 3.98Å; Y227-F253 HydrophobicContact CE1-CD1 4.18Å; Y227-F253 HydrophobicContact CE1-CG 4.41Å; Y227-F253 HydrophobicContact CE2-CB 4.04Å; Y227-F253 HydrophobicContact CE2-CD1 4.45Å; Y227-F253 HydrophobicContact CE2-CG 4.23Å; Y227-F253 HydrophobicContact CG-CB 4.42Å; Y227-F253 AromaticContact CG-CD1 3.41Å; Y227-F253 HydrophobicContact CG-CD1 3.41Å; Y227-F253 VanDerWaalsContact CG-CD1 3.41Å; Y227-F253 AromaticContact CG-CE1 3.8Å; Y227-F253 HydrophobicContact CG-CE1 3.8Å; Y227-F253 AromaticContact CG-CG 4Å; Y227-F253 HydrophobicContact CG-CG 4Å; Y227-F253 PolarHBondContact OH-O 3.24Å; V229-F253 HydrophobicContact CG2-CE1 3.91Å; L249-F253 HydrophobicContact CD1-CE1 3.99Å; L249-F253 HydrophobicContact CD1-CE2 4Å; L249-F253 HydrophobicContact CD1-CZ 3.48Å; L249-F253 VanDerWaalsContact CD1-CZ 3.48Å; L249-F253 HydrophobicContact CD2-CE2 4.31Å; L249-F253 HydrophobicContact CD2-CZ 4.39Å; L249-F253 HydrophobicContact CG-CE2 3.75Å; L249-F253 HydrophobicContact CG-CZ 3.79Å; L249-F253 WeakPolarHBondContact O-CD2 3.2Å; L249-F253 WeakPolarHBondContact O-CG 3.5Å; L249-F253 PolarHBondContact O-N 3.08Å; L250-F253 HydrophobicContact CD2-CD2 4.46Å; L250-F253 WeakPolarHBondContact O-CB 3.3Å; L250-F253 PolarHBondContact O-N 3.29Å; F253-A356 HydrophobicContact CE1-CB 4.46Å; F253-A356 HydrophobicContact CE2-CB 4.36Å; F253-A356 HydrophobicContact CZ-CB 3.72Å; F253-V358 HydrophobicContact CD2-CG2 3.94Å; F253-V358 HydrophobicContact CE2-CG2 3.7Å; F253-V358 HydrophobicContact CZ-CG2 4.24Å; F253-R360 PolarHBondContact O-NH2 2.97Å; F253-I365 HydrophobicContact CE2-CD1 4.16Å; F253-I365 HydrophobicContact CE2-CG1 4.5Å
254D94.7Very high96.4Very high108 Ų10850.4 Ų50.458%0.57826%0.258SS*.Hα-helixtrans-75.2-27.8-178.5-71.1-18000112.6L250 D251 A256L250-D254 PolarHBondContact O-N 2.9Å; D251-D254 PolarHBondContact O-N 3.35Å; D254-A256 PolarHBondContact O-N 3.3Å
255S96.3Very high96.5Very high53 Ų5349.6 Ų49.637%0.37125%0.253SS..Hα-helixtrans-66.3-21.3176.173.50000113.9S207 D251 L252 T257S207-S255 WeakPolarHBondContact CB-O 3.38Å; S207-S255 PolarHBondContact OG-OG 3.4Å; D251-S255 VanDerWaalsContact O-CB 3.25Å; D251-S255 WeakPolarHBondContact O-CB 3.41Å; D251-S255 PolarHBondContact O-N 2.97Å; D251-S255 PolarHBondContact O-OG 3.49Å; L252-S255 PolarHBondContact O-OG 2.8Å; S255-T257 PolarHBondContact O-N 2.92Å
256A96.8Very high96.6Very high2 Ų246.2 Ų46.22%0.01724%0.235CC..  trans-75.3119.9-176.700000111.4P205 I214 Y227 D254 R360P205-A256 HydrophobicContact CB-CB 3.94Å; I214-A256 HydrophobicContact CG2-CB 4.29Å; Y227-A256 HydrophobicContact CE1-CB 4.18Å; D254-A256 PolarHBondContact O-N 3.3Å; A256-R360 PolarHBondContact O-NH2 2.84Å; A256-R360 VanDerWaalsContact O-NH2 3.14Å
257T96.2Very high96.5Very high95 Ų9549.8 Ų49.858%0.58325%0.25SC*.EExtended strand (participates in β ladder)trans-121151.9-179.7580000111.3P205 Y206 S255 R259P205-T257 WeakPolarHBondContact CA-O 3.44Å; Y206-T257 PolarHBondContact N-O 3.49Å; Y206-T257 PolarHBondContact O-N 3.01Å; Y206-T257 VanDerWaalsContact O-N 3.16Å; S255-T257 PolarHBondContact O-N 2.92Å; T257-R259 PolarHBondContact O-N 3.27Å; T257-R259 VanDerWaalsContact O-N 3.17Å
258E96.7Very high96.4Very high120 Ų12046.4 Ų46.456%0.56123%0.228SC*.EExtended strand (participates in β ladder)trans-53.5120-178.4-69.4-66169.100112.4F204 P205F204-E258 WeakPolarHBondContact CA-OE2 3.46Å; F204-E258 PolarHBondContact N-OE2 3.24Å; P205-E258 WeakPolarHBondContact CD-OE1 3.28Å
259R95.8Very high96.2Very high97 Ų9745.4 Ų45.437%0.36622%0.224SC..EExtended strand (participates in β ladder)trans-145.5147.4176.6-170.7175.9-179.4-167.9-0.9108.8E203 F204 E208 T257 V261E203-R259 VanDerWaalsContact CA-O 3.31Å; E203-R259 WeakPolarHBondContact CA-O 3.48Å; F204-R259 PolarHBondContact N-O 3.05Å; F204-R259 PolarHBondContact O-N 2.96Å; F204-R259 VanDerWaalsContact O-O 3.12Å; E208-R259 IonicContact OE1-NH1 2.65Å; E208-R259 PolarHBondContact OE1-NH1 3.31Å; T257-R259 PolarHBondContact O-N 3.27Å; T257-R259 VanDerWaalsContact O-N 3.17Å; R259-V261 HydrophobicContact CB-CG2 4.47Å; R259-V261 WeakPolarHBondContact O-CG2 3.38Å; R259-V261 PolarHBondContact O-N 3.38Å
260K97Very high95.9Very high114 Ų11445.8 Ų45.850%0.49623%0.226SC..EExtended strand (participates in β ladder)trans-67.6119.4169.5-169.2170.8-170.5164.60109.7K202 E203 P344 P345K202-K260 CarbonylContact O-C 3.56Å; K202-K260 WeakPolarHBondContact O-CA 3.4Å; E203-K260 HydrophobicContact CG-CB 4.22Å; K260-P344 HydrophobicContact CB-CB 4.42Å; K260-P344 HydrophobicContact CG-CB 4.26Å; K260-P344 WeakPolarHBondContact O-CB 3.47Å; K260-P345 WeakPolarHBondContact O-CD 3.48Å
261V98.1Very high95.7Very high0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-126.4144.7-178.8-169.20000110K201 K202 Y206 R259 V263 P345 F347K201-V261 WeakPolarHBondContact CA-O 3.4Å; K202-V261 PolarHBondContact N-O 2.84Å; K202-V261 VanDerWaalsContact N-O 3.16Å; K202-V261 PolarHBondContact O-N 3.07Å; Y206-V261 HydrophobicContact CD2-CG1 4.07Å; Y206-V261 HydrophobicContact CD2-CG2 3.83Å; Y206-V261 HydrophobicContact CE2-CG1 4.33Å; Y206-V261 HydrophobicContact CG-CG2 3.73Å; R259-V261 HydrophobicContact CB-CG2 4.47Å; R259-V261 WeakPolarHBondContact O-CG2 3.38Å; R259-V261 PolarHBondContact O-N 3.38Å; V261-V263 HydrophobicContact CB-CG2 3.97Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å; V261-P345 HydrophobicContact CG1-CG 4.36Å; V261-P345 WeakPolarHBondContact CG1-O 3.26Å; V261-P345 HydrophobicContact CG2-CG 4.15Å; V261-F347 HydrophobicContact CG1-CB 3.88Å
262E98.2Very high95.5Very high50 Ų5046.9 Ų46.923%0.23423%0.228CC..EExtended strand (participates in β ladder)trans-92.8115164.2-175.8170.2131.800108.1K201 P345 K346 F347K201-E262 IonicContact NZ-OE2 3.33Å; K201-E262 PolarHBondContact NZ-OE2 2.75Å; E262-P345 PolarHBondContact N-O 3.26Å; E262-K346 HydrophobicContact CB-CG 4.23Å; E262-K346 CarbonylContact O-C 3.55Å; E262-K346 WeakPolarHBondContact O-CA 3.49Å; E262-K346 VanDerWaalsContact OE1-CE 3.31Å; E262-K346 WeakPolarHBondContact OE1-CE 3.45Å; E262-K346 IonicContact OE1-NZ 2.78Å; E262-K346 PolarHBondContact OE1-NZ 2.68Å; E262-F347 PolarHBondContact O-N 3.03Å
263V98.5Very high95.3Very high0 Ų050.5 Ų50.50%025%0.248CC..EExtended strand (participates in β ladder)trans-114.7125.8-166.41760000109.6F175 R199 M200 F204 L215 I217 V261 I265F175-V263 HydrophobicContact CE1-CG1 4.31Å; F175-V263 HydrophobicContact CZ-CG1 4.35Å; R199-V263 VanDerWaalsContact CA-O 3.29Å; R199-V263 WeakPolarHBondContact CA-O 3.43Å; M200-V263 HydrophobicContact CG-CB 4.27Å; M200-V263 PolarHBondContact N-O 2.92Å; M200-V263 PolarHBondContact O-N 2.93Å; F204-V263 HydrophobicContact CD2-CG2 3.96Å; F204-V263 HydrophobicContact CE2-CG2 4.24Å; L215-V263 HydrophobicContact CD1-CG2 4.14Å; L215-V263 HydrophobicContact CD2-CB 4.35Å; L215-V263 HydrophobicContact CD2-CG1 3.62Å; L215-V263 HydrophobicContact CD2-CG2 3.77Å; I217-V263 HydrophobicContact CD1-CG1 4.33Å; V261-V263 HydrophobicContact CB-CG2 3.97Å; V261-V263 HydrophobicContact CG1-CG2 3.81Å; V263-I265 HydrophobicContact CG1-CD1 3.52Å; V263-I265 HydrophobicContact CG1-CG1 3.62Å
264D98.4Very high95.1Very high20 Ų2051 Ų5111%0.10725%0.25CS..EExtended strand (participates in β ladder)trans-122.4115167.5-53.9-60.8000109M197 M198 R199 F347 T348 A349M197-D264 HydrophobicContact CG-CB 3.73Å; M197-D264 VanDerWaalsContact SD-C 3.5Å; M197-D264 HydrophobicContact SD-CB 3.89Å; M198-D264 WeakPolarHBondContact O-CA 3.47Å; R199-D264 VanDerWaalsContact CD-OD1 3.23Å; R199-D264 WeakPolarHBondContact CD-OD1 3.44Å; R199-D264 WeakPolarHBondContact CG-OD1 2.94Å; R199-D264 IonicContact NE-OD1 2.99Å; D264-F347 PolarHBondContact N-O 2.86Å; D264-T348 HydrophobicContact CB-CG2 4.07Å; D264-T348 PolarHBondContact OD2-OG1 2.9Å; D264-A349 PolarHBondContact O-N 3.13Å
265I97.8Very high94.7Very high1 Ų154 Ų541%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-133.5136.2-179.4-61.1173.9000109.6M197 M198 L215 I217 F228 V263 F347M197-I265 PolarHBondContact SD-N 2.8Å; M197-I265 VanDerWaalsContact SD-N 3.36Å; M198-I265 WeakPolarHBondContact CB-O 3.44Å; M198-I265 PolarHBondContact N-O 2.9Å; M198-I265 PolarHBondContact O-N 3.25Å; L215-I265 HydrophobicContact CD2-CD1 3.77Å; I217-I265 HydrophobicContact CD1-CD1 3.52Å; F228-I265 HydrophobicContact CD1-CD1 4.29Å; F228-I265 HydrophobicContact CD1-CG2 4.19Å; F228-I265 HydrophobicContact CD2-CD1 3.79Å; F228-I265 HydrophobicContact CE1-CD1 4.1Å; F228-I265 HydrophobicContact CE1-CG2 3.52Å; F228-I265 HydrophobicContact CE2-CD1 3.59Å; F228-I265 HydrophobicContact CG-CD1 4.15Å; F228-I265 HydrophobicContact CZ-CD1 3.75Å; F228-I265 HydrophobicContact CZ-CG2 3.8Å; V263-I265 HydrophobicContact CG1-CD1 3.52Å; V263-I265 HydrophobicContact CG1-CG1 3.62Å; I265-F347 HydrophobicContact CG1-CD1 4.44Å; I265-F347 HydrophobicContact CG1-CE1 4.44Å
266P96.9Very high94.7Very high0 Ų051.5 Ų51.50%024%0.241CC..EExtended strand (participates in β ladder)trans-64.8142.7177.825.6-33.5000111.4F185 V195 E196 M197 F268 F353 Y371F185-P266 HydrophobicContact CE2-CG 4.44Å; V195-P266 HydrophobicContact CB-CB 4.38Å; V195-P266 HydrophobicContact CG2-CB 4.13Å; E196-P266 WeakPolarHBondContact O-CA 3.41Å; M197-P266 VanDerWaalsContact SD-N 3.41Å; P266-F268 HydrophobicContact CG-CD1 4.26Å; P266-F268 VanDerWaalsContact O-CD1 3.28Å; P266-F268 WeakPolarHBondContact O-CD1 3.33Å; P266-F353 HydrophobicContact CG-CE1 3.67Å; P266-F353 HydrophobicContact CG-CZ 3.78Å; P266-Y371 HydrophobicContact CB-CE1 3.83Å; P266-Y371 HydrophobicContact CG-CD1 3.82Å; P266-Y371 HydrophobicContact CG-CE1 3.52Å
267K94.4Very high94.7Very high81 Ų8153.2 Ų53.235%0.35225%0.248SC..  trans-73.1129.3160.1177.4173.8-174158.60108.6E196 M198 V318 N319 E320E196-K267 HydrophobicContact CB-CB 4.22Å; E196-K267 PolarHBondContact O-N 3.34Å; M198-K267 HydrophobicContact CG-CB 4.09Å; M198-K267 HydrophobicContact SD-CB 4.21Å; K267-V318 WeakPolarHBondContact CA-O 3.22Å; K267-V318 WeakPolarHBondContact CG-O 3.36Å; K267-N319 HydrophobicContact CD-CB 4.26Å; K267-N319 HydrophobicContact CG-CB 4.18Å; K267-E320 IonicContact NZ-OE1 3.7Å; K267-E320 IonicContact NZ-OE2 2.71Å; K267-E320 PolarHBondContact NZ-OE2 3.19Å
268F93.5Very high94.7Very high4 Ų452 Ų522%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-152.3157.3178.563.4-96.9000113.1M226 P266 L270 V318 F353 F355 Y371M226-F268 HydrophobicContact CE-CZ 3.81Å; P266-F268 HydrophobicContact CG-CD1 4.26Å; P266-F268 VanDerWaalsContact O-CD1 3.28Å; P266-F268 WeakPolarHBondContact O-CD1 3.33Å; F268-L270 HydrophobicContact CD2-CD1 4.03Å; F268-L270 HydrophobicContact CD2-CG 3.95Å; F268-L270 HydrophobicContact CE2-CD1 3.98Å; F268-L270 HydrophobicContact CE2-CG 4.36Å; F268-V318 HydrophobicContact CD1-CB 4.12Å; F268-V318 HydrophobicContact CD1-CG1 4.31Å; F268-V318 HydrophobicContact CD2-CB 4.27Å; F268-V318 HydrophobicContact CD2-CG2 4.16Å; F268-V318 HydrophobicContact CE1-CB 3.98Å; F268-V318 HydrophobicContact CE1-CG1 3.99Å; F268-V318 HydrophobicContact CE1-CG2 4Å; F268-V318 HydrophobicContact CE2-CB 4.16Å; F268-V318 HydrophobicContact CE2-CG2 3.61Å; F268-V318 HydrophobicContact CG-CB 4.28Å; F268-V318 HydrophobicContact CZ-CB 4.03Å; F268-V318 HydrophobicContact CZ-CG1 4.37Å; F268-V318 HydrophobicContact CZ-CG2 3.54Å; F268-V318 PolarHBondContact N-O 3.12Å; F268-V318 PolarHBondContact O-N 3.3Å; F268-F353 HydrophobicContact CE1-CE2 4.28Å; F268-F353 AromaticContact CE1-CZ 3.98Å; F268-F353 HydrophobicContact CE1-CZ 3.98Å; F268-F355 HydrophobicContact CE2-CE1 4.18Å; F268-F355 HydrophobicContact CE2-CZ 4.2Å; F268-F355 HydrophobicContact CZ-CD1 4.13Å; F268-F355 HydrophobicContact CZ-CE1 4.2Å; F268-F355 HydrophobicContact CZ-CG 4.37Å; F268-Y371 HydrophobicContact CB-CD2 4.01Å; F268-Y371 HydrophobicContact CB-CE2 3.41Å; F268-Y371 VanDerWaalsContact CB-CE2 3.41Å; F268-Y371 HydrophobicContact CD1-CD2 4.13Å; F268-Y371 HydrophobicContact CD1-CE2 4.2Å; F268-Y371 HydrophobicContact CD1-CG 4.35Å; F268-Y371 HydrophobicContact CD2-CD2 4.21Å; F268-Y371 HydrophobicContact CD2-CE2 4.44Å; F268-Y371 AromaticContact CG-CD2 3.88Å; F268-Y371 HydrophobicContact CG-CD2 3.88Å; F268-Y371 AromaticContact CG-CE2 3.8Å; F268-Y371 HydrophobicContact CG-CE2 3.8Å
269K90.7Very high94.7Very high83 Ų8346.5 Ų46.536%0.36121%0.21SC..EExtended strand (participates in β ladder)trans-129.6131.7173175.5-177.1168.3176.60108F315 I316 E317 S375 A376K269-F315 HydrophobicContact CD-CE2 4.26Å; K269-F315 HydrophobicContact CD-CZ 4.05Å; K269-F315 HydrophobicContact CG-CE2 4.2Å; K269-F315 HydrophobicContact CG-CZ 3.99Å; K269-I316 WeakPolarHBondContact CA-O 3.47Å; K269-E317 HydrophobicContact CB-CG 4.36Å; K269-S375 PolarHBondContact N-OG 3.1Å; K269-S375 CarbonylContact O-C 3.55Å; K269-S375 WeakPolarHBondContact O-CA 3.36Å; K269-S375 PolarHBondContact O-OG 3.3Å; K269-A376 PolarHBondContact O-N 2.9Å
270L90.4Very high94.8Very high8 Ų841.9 Ų41.94%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-127.2136.2176.3-59.8170.6000109.1F26 F268 I316 F355 V374F26-L270 HydrophobicContact CD1-CB 3.52Å; F26-L270 HydrophobicContact CD1-CD1 4.1Å; F26-L270 HydrophobicContact CD1-CG 4.43Å; F26-L270 HydrophobicContact CE1-CB 3.29Å; F26-L270 WeakPolarHBondContact CE1-O 3.39Å; F26-L270 HydrophobicContact CG-CB 4.35Å; F26-L270 HydrophobicContact CG-CD1 4.47Å; F26-L270 VanDerWaalsContact CZ-C 3.5Å; F26-L270 HydrophobicContact CZ-CB 3.95Å; F26-L270 WeakPolarHBondContact CZ-O 3.48Å; F268-L270 HydrophobicContact CD2-CD1 4.03Å; F268-L270 HydrophobicContact CD2-CG 3.95Å; F268-L270 HydrophobicContact CE2-CD1 3.98Å; F268-L270 HydrophobicContact CE2-CG 4.36Å; L270-I316 HydrophobicContact CB-CG2 3.9Å; L270-I316 PolarHBondContact N-O 3.07Å; L270-I316 PolarHBondContact O-N 3.26Å; L270-F355 HydrophobicContact CD1-CE1 3.89Å; L270-F355 HydrophobicContact CD1-CZ 3.7Å; L270-V374 WeakPolarHBondContact CD2-O 3.11Å
271E90.9Very high94.8Very high78 Ų7842.3 Ų42.336%0.36419%0.191SC..EExtended strand (participates in β ladder)trans-129.6126.7169.5-175.7174.116600106.9K313 F315 A376E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 2.72Å; E271-K313 PolarHBondContact OE1-NZ 2.99Å; E271-F315 HydrophobicContact CB-CD2 4.2Å; E271-F315 HydrophobicContact CG-CD2 4.35Å; E271-A376 HydrophobicContact CB-CB 4.1Å
272H92Very high94.8Very high47 Ų4748.3 Ų48.322%0.21821%0.214CC..EExtended strand (participates in β ladder)trans-136.7122.5-174.3-170-78.7000111.8F25 F26 K313 A314F25-H272 AromaticContact CD2-CD2 3.91Å; F25-H272 AromaticContact CD2-CE1 3.72Å; F25-H272 AromaticContact CD2-NE2 3.49Å; F25-H272 WeakPolarHBondContact CD2-NE2 3.15Å; F25-H272 AromaticContact CE2-CE1 3.53Å; F25-H272 AromaticContact CE2-ND1 3.93Å; F25-H272 AromaticContact CE2-NE2 3.82Å; F26-H272 HydrophobicContact CD1-CB 3.68Å; F26-H272 HydrophobicContact CE1-CB 3.38Å; F26-H272 HydrophobicContact CZ-CB 4.22Å; H272-K313 WeakPolarHBondContact O-CA 3.32Å; H272-A314 PolarHBondContact N-O 3.4Å; H272-A314 VanDerWaalsContact N-O 3.11Å; H272-A314 PolarHBondContact O-N 3.4Å
273D92.2Very high94.7Very high96 Ų9646.6 Ų46.651%0.51321%0.206SC..EExtended strand (participates in β ladder)trans-93.9110.5172.6-66.3-46.3000109.7K313D273-K313 WeakPolarHBondContact OD1-CD 3.37Å; D273-K313 WeakPolarHBondContact OD1-CE 3.48Å; D273-K313 VanDerWaalsContact OD1-CG 3.26Å; D273-K313 WeakPolarHBondContact OD1-CG 3.38Å; D273-K313 IonicContact OD1-NZ 2.86Å; D273-K313 PolarHBondContact OD1-NZ 3.22Å; D273-K313 IonicContact OD2-NZ 2.93Å
274L91.6Very high94.6Very high14 Ų1447.8 Ų47.87%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-99.6121.6179.1-172.763.7000111A18 F25 I32 L276 V279 H312A18-L274 HydrophobicContact CB-CD1 3.88Å; F25-L274 HydrophobicContact CE2-CD1 4.12Å; I32-L274 HydrophobicContact CD1-CD2 4.31Å; L274-L276 HydrophobicContact CD2-CD1 4.11Å; L274-L276 PolarHBondContact O-N 3.12Å; L274-V279 HydrophobicContact CD1-CG2 3.79Å; L274-V279 HydrophobicContact CD2-CG2 4.39Å; L274-V279 HydrophobicContact CG-CG2 4.18Å; L274-H312 HydrophobicContact CB-CB 4.11Å; L274-H312 PolarHBondContact N-O 3.33Å; L274-H312 PolarHBondContact O-N 3.01Å
275K87.3Confident94.6Very high170 Ų17046.9 Ų46.974%0.73921%0.213SC*.  trans-69.571.9164.7-68.1-175.7-179177.70109.9K277 E278K275-K277 VanDerWaalsContact C-N 3.26Å; K275-K277 PolarHBondContact O-N 3.41Å; K275-E278 PolarHBondContact O-N 2.77Å
276L95.6Very high94.6Very high1 Ų149.7 Ų49.71%0.00523%0.231CC..Hα-helixtrans-59.8-35.1-167.3178.162.7000112.3I32 L274 E278 V279 L280 A310 H312I32-L276 HydrophobicContact CD1-CD1 4.2Å; I32-L276 HydrophobicContact CG1-CD1 4.46Å; I32-L276 HydrophobicContact CG1-CD2 4.41Å; I32-L276 HydrophobicContact CG2-CD1 3.89Å; I32-L276 HydrophobicContact CG2-CD2 4Å; L274-L276 HydrophobicContact CD2-CD1 4.11Å; L274-L276 PolarHBondContact O-N 3.12Å; L276-E278 PolarHBondContact O-N 2.94Å; L276-V279 PolarHBondContact O-N 2.88Å; L276-L280 HydrophobicContact CD1-CD1 4.04Å; L276-L280 HydrophobicContact CD1-CD2 4.2Å; L276-L280 HydrophobicContact CD1-CG 3.86Å; L276-L280 HydrophobicContact CD2-CD1 4.18Å; L276-L280 HydrophobicContact CG-CD1 3.65Å; L276-L280 HydrophobicContact CG-CG 3.98Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CG 3.22Å; L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 3.29Å; L276-A310 HydrophobicContact CB-CB 4.21Å; L276-A310 WeakPolarHBondContact CB-O 3.33Å; L276-A310 HydrophobicContact CD2-CB 4.16Å; L276-A310 HydrophobicContact CG-CB 4.2Å; L276-A310 PolarHBondContact N-O 3.38Å; L276-H312 HydrophobicContact CB-CB 4.27Å; L276-H312 HydrophobicContact CD2-CB 4.16Å
277K96.5Very high94.7Very high39 Ų3950.3 Ų50.317%0.1723%0.234CC..Hα-helixtrans-51.5-49.5175.1171173.1168.8-176.10113.4K275 V279 L280 R281 F289 S308 E309 A310K275-K277 VanDerWaalsContact C-N 3.26Å; K275-K277 PolarHBondContact O-N 3.41Å; K277-V279 PolarHBondContact O-N 3.37Å; K277-L280 PolarHBondContact O-N 3.24Å; K277-R281 WeakPolarHBondContact O-CG 3.35Å; K277-R281 PolarHBondContact O-N 2.83Å; K277-F289 HydrophobicContact CB-CD1 4.47Å; K277-F289 HydrophobicContact CB-CE1 3.92Å; K277-F289 HydrophobicContact CB-CZ 4.23Å; K277-F289 HydrophobicContact CD-CD1 3.92Å; K277-F289 HydrophobicContact CD-CE1 4.17Å; K277-F289 HydrophobicContact CG-CD1 3.7Å; K277-F289 HydrophobicContact CG-CE1 3.64Å; K277-F289 HydrophobicContact CG-CG 4.2Å; K277-F289 HydrophobicContact CG-CZ 4.08Å; K277-S308 WeakPolarHBondContact CD-O 3.44Å; K277-S308 PolarHBondContact NZ-O 2.81Å; K277-E309 WeakPolarHBondContact CD-OE2 3.32Å; K277-E309 IonicContact NZ-OE1 3.64Å; K277-E309 PolarHBondContact NZ-OE1 2.78Å; K277-A310 HydrophobicContact CB-CB 4.39Å; K277-A310 PolarHBondContact N-O 3.3Å
278E95.6Very high94.9Very high70 Ų7046.5 Ų46.533%0.32722%0.218SC..Hα-helixtrans-69.9-35.3-176.7-62.8-49.7130.700112.1K275 L276 R281 R282K275-E278 PolarHBondContact O-N 2.77Å; L276-E278 PolarHBondContact O-N 2.94Å; E278-R281 PolarHBondContact O-N 3.4Å; E278-R281 IonicContact OE1-NH1 3.94Å; E278-R281 IonicContact OE2-NH1 2.98Å; E278-R281 PolarHBondContact OE2-NH1 2.84Å; E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-N 2.67Å; E278-R282 VanDerWaalsContact O-N 3.16Å; E278-R282 PolarHBondContact O-NH1 3.2Å
279V96.8Very high95.1Very high3 Ų347.2 Ų47.22%0.01822%0.22CC..Hα-helixtrans-62.4-46.7172.9-178.50000110.5T14 E17 A18 L274 L276 K277 R281 R282 L283T14-V279 HydrophobicContact CG2-CG1 3.78Å; E17-V279 HydrophobicContact CB-CG1 3.87Å; A18-V279 HydrophobicContact CB-CG1 4.17Å; A18-V279 HydrophobicContact CB-CG2 3.96Å; L274-V279 HydrophobicContact CD1-CG2 3.79Å; L274-V279 HydrophobicContact CD2-CG2 4.39Å; L274-V279 HydrophobicContact CG-CG2 4.18Å; L276-V279 PolarHBondContact O-N 2.88Å; K277-V279 PolarHBondContact O-N 3.37Å; V279-R281 VanDerWaalsContact C-N 3.33Å; V279-R281 PolarHBondContact O-N 3.28Å; V279-R282 PolarHBondContact O-N 2.81Å; V279-L283 HydrophobicContact CG1-CD1 4.3Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 3.28Å
280L97.9Very high95.5Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-64.4-36.5179.8-68.1173000112.4L36 L276 K277 L283 G284 L285 F289 A310L36-L280 HydrophobicContact CD1-CD1 4.23Å; L36-L280 HydrophobicContact CD1-CD2 3.57Å; L36-L280 HydrophobicContact CD2-CD1 3.65Å; L36-L280 HydrophobicContact CD2-CD2 4.38Å; L276-L280 HydrophobicContact CD1-CD1 4.04Å; L276-L280 HydrophobicContact CD1-CD2 4.2Å; L276-L280 HydrophobicContact CD1-CG 3.86Å; L276-L280 HydrophobicContact CD2-CD1 4.18Å; L276-L280 HydrophobicContact CG-CD1 3.65Å; L276-L280 HydrophobicContact CG-CG 3.98Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CG 3.22Å; L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 3.29Å; K277-L280 PolarHBondContact O-N 3.24Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 WeakPolarHBondContact O-CB 3.22Å; L280-L283 PolarHBondContact O-N 2.86Å; L280-G284 PolarHBondContact O-N 3.39Å; L280-L285 HydrophobicContact CB-CB 4.29Å; L280-L285 HydrophobicContact CB-CD1 4.4Å; L280-L285 HydrophobicContact CD2-CD1 4.08Å; L280-L285 HydrophobicContact CD2-CD2 4.45Å; L280-L285 WeakPolarHBondContact O-CB 3.39Å; L280-L285 WeakPolarHBondContact O-CD1 3.28Å; L280-L285 PolarHBondContact O-N 3.01Å; L280-F289 HydrophobicContact CB-CE2 3.8Å; L280-F289 HydrophobicContact CB-CZ 3.9Å; L280-F289 HydrophobicContact CD1-CZ 3.87Å; L280-A310 HydrophobicContact CD1-CB 4.42Å
281R97.9Very high95.7Very high123 Ų12349.7 Ų49.746%0.46424%0.242SC..Hα-helixtrans-61.1-44.7172.9-72.8178.973.1-145.33.5111.5K277 E278 V279 L283 G284 F289K277-R281 WeakPolarHBondContact O-CG 3.35Å; K277-R281 PolarHBondContact O-N 2.83Å; E278-R281 PolarHBondContact O-N 3.4Å; E278-R281 IonicContact OE1-NH1 3.94Å; E278-R281 IonicContact OE2-NH1 2.98Å; E278-R281 PolarHBondContact OE2-NH1 2.84Å; V279-R281 VanDerWaalsContact C-N 3.33Å; V279-R281 PolarHBondContact O-N 3.28Å; R281-L283 VanDerWaalsContact C-N 3.3Å; R281-L283 PolarHBondContact O-N 2.91Å; R281-G284 WeakPolarHBondContact O-CA 3.33Å; R281-G284 PolarHBondContact O-N 3.09Å; R281-F289 HydrophobicContact CG-CD2 3.68Å; R281-F289 HydrophobicContact CG-CE2 4.05Å; R281-F289 HydrophobicContact CG-CG 4.44Å
282R97.3Very high96Very high126 Ų12649 Ų4948%0.47526%0.255SS..Hα-helixtrans-64.8-33.7176.2-67.2-171-69.5-85.36.3112.9E17 E278 V279 G284E17-R282 HydrophobicContact CB-CB 4.4Å; E17-R282 HydrophobicContact CG-CB 4.13Å; E17-R282 VanDerWaalsContact O-CZ 3.31Å; E17-R282 PolarHBondContact O-NE 3.28Å; E17-R282 VanDerWaalsContact O-NE 3.13Å; E17-R282 PolarHBondContact O-NH2 3.01Å; E17-R282 WeakPolarHBondContact OE2-CB 3.14Å; E17-R282 WeakPolarHBondContact OE2-CD 3.46Å; E17-R282 IonicContact OE2-NE 2.75Å; E17-R282 PolarHBondContact OE2-NE 3.42Å; E278-R282 WeakPolarHBondContact O-CG 3.47Å; E278-R282 PolarHBondContact O-N 2.67Å; E278-R282 VanDerWaalsContact O-N 3.16Å; E278-R282 PolarHBondContact O-NH1 3.2Å; V279-R282 PolarHBondContact O-N 2.81Å; R282-G284 PolarHBondContact O-N 3.45Å; R282-G284 VanDerWaalsContact O-N 3.15Å
283L96.6Very high96.3Very high15 Ų1551 Ų518%0.07927%0.268CS..THydrogen-bonded Turntrans-67.4-7.9170.7-70.5172.6000114.1F10 R13 T14 E17 K54 V279 L280 R281 L285F10-L283 HydrophobicContact CE2-CD1 4.3Å; R13-L283 HydrophobicContact CB-CD2 3.74Å; T14-L283 HydrophobicContact CG2-CD1 4.45Å; E17-L283 HydrophobicContact CB-CD2 4.47Å; E17-L283 HydrophobicContact CB-CG 4.46Å; E17-L283 HydrophobicContact CG-CD2 3.71Å; E17-L283 HydrophobicContact CG-CG 4Å; K54-L283 WeakPolarHBondContact CD-O 3.16Å; K54-L283 VanDerWaalsContact CE-O 3.29Å; K54-L283 WeakPolarHBondContact CE-O 3.44Å; K54-L283 WeakPolarHBondContact CG-O 3.37Å; V279-L283 HydrophobicContact CG1-CD1 4.3Å; V279-L283 WeakPolarHBondContact O-CG 3.46Å; V279-L283 PolarHBondContact O-N 3.28Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 WeakPolarHBondContact O-CB 3.22Å; L280-L283 PolarHBondContact O-N 2.86Å; R281-L283 VanDerWaalsContact C-N 3.3Å; R281-L283 PolarHBondContact O-N 2.91Å; L283-L285 HydrophobicContact CB-CD1 3.7Å
284G97.2Very high96.6Very high24 Ų2446.6 Ų46.625%0.24724%0.244CC..THydrogen-bonded Turntrans91.415.2179.200000114.6L280 R281 R282 T286L280-G284 PolarHBondContact O-N 3.39Å; R281-G284 WeakPolarHBondContact O-CA 3.33Å; R281-G284 PolarHBondContact O-N 3.09Å; R282-G284 PolarHBondContact O-N 3.45Å; R282-G284 VanDerWaalsContact O-N 3.15Å; G284-T286 PolarHBondContact O-N 2.87Å
285L98Very high97Very high1 Ų146.7 Ų46.71%0.00525%0.245CC..  trans-87.478168.2-63.292.8000109M51 K54 L55 L280 L283 M288 F289M51-L285 HydrophobicContact CG-CD2 4.11Å; K54-L285 HydrophobicContact CB-CD1 3.75Å; K54-L285 HydrophobicContact CB-CG 4.17Å; K54-L285 HydrophobicContact CG-CD1 4.25Å; K54-L285 HydrophobicContact CG-CG 4.5Å; L55-L285 HydrophobicContact CD1-CD2 4.1Å; L55-L285 HydrophobicContact CD2-CD1 4.47Å; L55-L285 HydrophobicContact CD2-CD2 3.96Å; L55-L285 HydrophobicContact CG-CD2 4.06Å; L280-L285 HydrophobicContact CB-CB 4.29Å; L280-L285 HydrophobicContact CB-CD1 4.4Å; L280-L285 HydrophobicContact CD2-CD1 4.08Å; L280-L285 HydrophobicContact CD2-CD2 4.45Å; L280-L285 WeakPolarHBondContact O-CB 3.39Å; L280-L285 WeakPolarHBondContact O-CD1 3.28Å; L280-L285 PolarHBondContact O-N 3.01Å; L283-L285 HydrophobicContact CB-CD1 3.7Å; L285-M288 HydrophobicContact CB-CG 4.3Å; L285-M288 HydrophobicContact CB-SD 3.76Å; L285-M288 HydrophobicContact CD2-SD 3.75Å; L285-M288 HydrophobicContact CG-SD 4.41Å; L285-F289 WeakPolarHBondContact O-CD2 3.46Å; L285-F289 WeakPolarHBondContact O-CE2 3.31Å
286T98.2Very high97.5Very high61 Ų6138.6 Ų38.637%0.37421%0.21SC..  trans-96.2-46.5-173.552.80000112.7Q50 G284 M288 F289Q50-T286 PolarHBondContact NE2-OG1 2.85Å; G284-T286 PolarHBondContact O-N 2.87Å; T286-M288 PolarHBondContact O-N 2.8Å; T286-M288 VanDerWaalsContact O-N 3.16Å; T286-F289 PolarHBondContact O-N 2.86Å
287D98.5Very high97.6Very high13 Ų1339.9 Ų39.97%0.0722%0.219CC..G310 helixtrans-62.9-31.8-170.6-69.719.5000111.9N46 Q50 F289 D290 L293 A294N46-D287 WeakPolarHBondContact CB-OD2 3.29Å; N46-D287 PolarHBondContact ND2-OD2 3.2Å; Q50-D287 VanDerWaalsContact NE2-CG 3.27Å; Q50-D287 PolarHBondContact NE2-OD1 2.82Å; Q50-D287 VanDerWaalsContact OE1-CB 3.25Å; Q50-D287 VanDerWaalsContact OE1-CG 3.31Å; Q50-D287 PolarHBondContact OE1-OD1 3.28Å; D287-F289 PolarHBondContact O-N 2.74Å; D287-F289 VanDerWaalsContact O-N 3.17Å; D287-D290 PolarHBondContact O-N 3.4Å; D287-L293 HydrophobicContact CB-CB 4.16Å; D287-A294 WeakPolarHBondContact O-CA 3.29Å; D287-A294 VanDerWaalsContact O-CB 3.24Å; D287-A294 WeakPolarHBondContact O-CB 3.27Å; D287-A294 PolarHBondContact O-N 3.24Å
288M98.3Very high97.7Very high1 Ų141 Ų411%0.00522%0.223CC..G310 helixtrans-61.9-23.2179.664.4-178.5-67.800113.6L36 T39 T47 M51 L161 L285 T286 F296 V307L36-M288 HydrophobicContact CD2-CE 4.22Å; T39-M288 HydrophobicContact CG2-CE 4.1Å; T47-M288 HydrophobicContact CG2-CB 3.86Å; M51-M288 HydrophobicContact CE-CE 4.49Å; L161-M288 HydrophobicContact CD2-CE 4.11Å; L285-M288 HydrophobicContact CB-CG 4.3Å; L285-M288 HydrophobicContact CB-SD 3.76Å; L285-M288 HydrophobicContact CD2-SD 3.75Å; L285-M288 HydrophobicContact CG-SD 4.41Å; T286-M288 PolarHBondContact O-N 2.8Å; T286-M288 VanDerWaalsContact O-N 3.16Å; M288-F296 HydrophobicContact CB-CE2 3.93Å; M288-F296 HydrophobicContact CB-CZ 3.67Å; M288-V307 HydrophobicContact CE-CB 4.12Å; M288-V307 HydrophobicContact CE-CG1 4.39Å; M288-V307 HydrophobicContact CE-CG2 3.65Å; M288-V307 WeakPolarHBondContact O-CB 3.35Å; M288-V307 PolarHBondContact O-N 3.23Å
289F98Very high97.8Very high18 Ų1837.7 Ų37.78%0.07921%0.208CC..G310 helixtrans-99.6-7.2-179.5-58.4-72.4000113.5K277 L280 R281 L285 T286 D287 V307 A310K277-F289 HydrophobicContact CB-CD1 4.47Å; K277-F289 HydrophobicContact CB-CE1 3.92Å; K277-F289 HydrophobicContact CB-CZ 4.23Å; K277-F289 HydrophobicContact CD-CD1 3.92Å; K277-F289 HydrophobicContact CD-CE1 4.17Å; K277-F289 HydrophobicContact CG-CD1 3.7Å; K277-F289 HydrophobicContact CG-CE1 3.64Å; K277-F289 HydrophobicContact CG-CG 4.2Å; K277-F289 HydrophobicContact CG-CZ 4.08Å; L280-F289 HydrophobicContact CB-CE2 3.8Å; L280-F289 HydrophobicContact CB-CZ 3.9Å; L280-F289 HydrophobicContact CD1-CZ 3.87Å; R281-F289 HydrophobicContact CG-CD2 3.68Å; R281-F289 HydrophobicContact CG-CE2 4.05Å; R281-F289 HydrophobicContact CG-CG 4.44Å; L285-F289 WeakPolarHBondContact O-CD2 3.46Å; L285-F289 WeakPolarHBondContact O-CE2 3.31Å; T286-F289 PolarHBondContact O-N 2.86Å; D287-F289 PolarHBondContact O-N 2.74Å; D287-F289 VanDerWaalsContact O-N 3.17Å; F289-V307 WeakPolarHBondContact CA-O 3.45Å; F289-V307 HydrophobicContact CD1-CB 3.92Å; F289-V307 HydrophobicContact CD1-CG1 3.8Å; F289-V307 WeakPolarHBondContact CD1-O 2.88Å; F289-V307 HydrophobicContact CE1-CB 4Å; F289-V307 HydrophobicContact CE1-CG1 3.5Å; F289-V307 VanDerWaalsContact CE1-CG1 3.5Å; F289-A310 HydrophobicContact CE1-CB 4.41Å
290D97.9Very high97.8Very high65 Ų6538 Ų3835%0.34821%0.21SC..  trans-95.6122-176.8-175.4-69.9000110.8D287 G292 L293 A294D287-D290 PolarHBondContact O-N 3.4Å; D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 2.96Å; D290-G292 WeakPolarHBondContact OD1-CA 3.38Å; D290-G292 PolarHBondContact OD1-N 2.78Å; D290-L293 HydrophobicContact CB-CB 4.03Å; D290-L293 HydrophobicContact CB-CD1 4.21Å; D290-L293 HydrophobicContact CB-CG 4.26Å; D290-L293 PolarHBondContact O-N 3.07Å; D290-L293 PolarHBondContact OD1-N 3.37Å; D290-A294 WeakPolarHBondContact O-CB 3.46Å; D290-A294 PolarHBondContact O-N 3.34Å
291P96.4Very high97.7Very high79 Ų7940.5 Ų40.551%0.51324%0.235SC..THydrogen-bonded Turntrans-61.1-26.8-178.5-24.133.6000115.5Y306P291-Y306 HydrophobicContact CB-CD1 3.82Å; P291-Y306 HydrophobicContact CB-CE1 3.79Å; P291-Y306 HydrophobicContact CB-CG 4.27Å; P291-Y306 HydrophobicContact CG-CD1 4.09Å; P291-Y306 HydrophobicContact CG-CD2 4.09Å; P291-Y306 HydrophobicContact CG-CE1 3.87Å; P291-Y306 HydrophobicContact CG-CE2 3.89Å; P291-Y306 HydrophobicContact CG-CG 4.19Å
292G97.3Very high97.6Very high62 Ų6242.1 Ų42.164%0.63924%0.242SC*.THydrogen-bonded Turntrans-90.7-25.9-179.800000113.9D290D290-G292 VanDerWaalsContact C-N 3.25Å; D290-G292 PolarHBondContact O-N 2.96Å; D290-G292 WeakPolarHBondContact OD1-CA 3.38Å; D290-G292 PolarHBondContact OD1-N 2.78Å
293L98.1Very high97.4Very high91 Ų9143.7 Ų43.748%0.47625%0.248SC..THydrogen-bonded Turntrans-99.6-33.4-177.5-57.9175.2000113.3D287 D290 N295D287-L293 HydrophobicContact CB-CB 4.16Å; D290-L293 HydrophobicContact CB-CB 4.03Å; D290-L293 HydrophobicContact CB-CD1 4.21Å; D290-L293 HydrophobicContact CB-CG 4.26Å; D290-L293 PolarHBondContact O-N 3.07Å; D290-L293 PolarHBondContact OD1-N 3.37Å; L293-N295 PolarHBondContact O-N 3.25Å
294A98.5Very high97.1Very high2 Ų246 Ų462%0.01726%0.26CS..  trans-53.1133.2-173.800000112.5D287 D290 F296 L305 Y306D287-A294 WeakPolarHBondContact O-CA 3.29Å; D287-A294 VanDerWaalsContact O-CB 3.24Å; D287-A294 WeakPolarHBondContact O-CB 3.27Å; D287-A294 PolarHBondContact O-N 3.24Å; D290-A294 WeakPolarHBondContact O-CB 3.46Å; D290-A294 PolarHBondContact O-N 3.34Å; A294-F296 HydrophobicContact CB-CD2 4.24Å; A294-F296 HydrophobicContact CB-CE2 4.3Å; A294-L305 WeakPolarHBondContact CB-O 3.37Å; A294-Y306 VanDerWaalsContact CB-CB 3.47Å
295N98.6Very high97.1Very high17 Ų1745 Ų459%0.09125%0.249CC..  trans-126.485.4177.2-169.8-15000110.9S43 S44 T47 L293 S297S43-N295 CarbonylContact C-O 3.52Å; S43-N295 WeakPolarHBondContact CA-O 3.38Å; S44-N295 PolarHBondContact N-O 2.96Å; S44-N295 WeakPolarHBondContact O-CB 3.24Å; T47-N295 PolarHBondContact OG1-N 3.28Å; L293-N295 PolarHBondContact O-N 3.25Å; N295-S297 VanDerWaalsContact OD1-CB 3.3Å; N295-S297 WeakPolarHBondContact OD1-CB 3.4Å; N295-S297 PolarHBondContact OD1-N 2.73Å; N295-S297 PolarHBondContact OD1-OG 2.85Å
296F98.3Very high97.1Very high0 Ų046.8 Ų46.80%026%0.256CS..  trans-102.433170.9-69.1-67.3000112.9T39 G42 T47 M51 M288 A294 K298 I299 L305 V307T39-F296 HydrophobicContact CG2-CD1 4.35Å; T39-F296 HydrophobicContact CG2-CE1 3.37Å; T39-F296 HydrophobicContact CG2-CZ 3.6Å; G42-F296 CarbonylContact O-C 3.6Å; G42-F296 VanDerWaalsContact O-C 3.32Å; G42-F296 VanDerWaalsContact O-CA 3.29Å; G42-F296 WeakPolarHBondContact O-CA 3.43Å; T47-F296 HydrophobicContact CG2-CE1 4.28Å; T47-F296 HydrophobicContact CG2-CE2 4.26Å; T47-F296 HydrophobicContact CG2-CZ 3.9Å; M51-F296 HydrophobicContact SD-CE1 4.3Å; M288-F296 HydrophobicContact CB-CE2 3.93Å; M288-F296 HydrophobicContact CB-CZ 3.67Å; A294-F296 HydrophobicContact CB-CD2 4.24Å; A294-F296 HydrophobicContact CB-CE2 4.3Å; F296-K298 PolarHBondContact O-N 2.9Å; F296-I299 HydrophobicContact CB-CD1 3.94Å; F296-I299 HydrophobicContact CB-CG1 4.13Å; F296-I299 HydrophobicContact CD1-CD1 3.98Å; F296-I299 HydrophobicContact CG-CD1 4.18Å; F296-I299 WeakPolarHBondContact O-CA 3.36Å; F296-I299 WeakPolarHBondContact O-CB 3.4Å; F296-I299 PolarHBondContact O-N 2.92Å; F296-L305 HydrophobicContact CB-CB 4.17Å; F296-L305 HydrophobicContact CB-CD2 4.07Å; F296-L305 HydrophobicContact CB-CG 4.21Å; F296-L305 WeakPolarHBondContact CD2-O 3.28Å; F296-V307 HydrophobicContact CE2-CG2 3.87Å; F296-V307 HydrophobicContact CZ-CG2 3.92Å
297S98.2Very high97.1Very high28 Ų2843.9 Ų43.920%0.19624%0.238CC..Hα-helixtrans-60.8-17-179.4550000114.5N295 I299 G301 R302N295-S297 VanDerWaalsContact OD1-CB 3.3Å; N295-S297 WeakPolarHBondContact OD1-CB 3.4Å; N295-S297 PolarHBondContact OD1-N 2.73Å; N295-S297 PolarHBondContact OD1-OG 2.85Å; S297-I299 VanDerWaalsContact C-N 3.27Å; S297-G301 WeakPolarHBondContact O-CA 3.39Å; S297-G301 PolarHBondContact O-N 2.93Å; S297-R302 WeakPolarHBondContact CA-O 3.39Å; S297-R302 WeakPolarHBondContact CB-O 3.36Å
298K98Very high97.1Very high62 Ų6243.7 Ų43.727%0.2724%0.238SC..Hα-helixtrans-80.3-9.2171.5-55.6-176.6-174.7149.50113.1G42 S43 F105 F296G42-K298 WeakPolarHBondContact O-CB 3.48Å; G42-K298 PolarHBondContact O-N 2.81Å; S43-K298 VanDerWaalsContact O-CD 3.3Å; S43-K298 WeakPolarHBondContact O-CD 3.29Å; S43-K298 VanDerWaalsContact O-CE 3.29Å; S43-K298 WeakPolarHBondContact O-CE 3.47Å; S43-K298 PolarHBondContact O-NZ 2.97Å; F105-K298 WeakPolarHBondContact CB-O 3.39Å; F296-K298 PolarHBondContact O-N 2.9Å
299I98.1Very high97Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-84.3-47.2170.1-54.3-173000110.1G42 V101 L102 F105 I117 L159 F296 S297 L305G42-I299 VanDerWaalsContact CA-CG1 3.47Å; V101-I299 WeakPolarHBondContact CA-O 3.48Å; L102-I299 WeakPolarHBondContact CB-O 3.25Å; L102-I299 WeakPolarHBondContact CG-O 3.48Å; L102-I299 PolarHBondContact N-O 2.9Å; F105-I299 HydrophobicContact CD1-CB 4.44Å; F105-I299 HydrophobicContact CD1-CG1 4.35Å; F105-I299 HydrophobicContact CD1-CG2 3.96Å; F105-I299 HydrophobicContact CD2-CG1 4.04Å; F105-I299 HydrophobicContact CE1-CD1 4.34Å; F105-I299 HydrophobicContact CE1-CG1 4.15Å; F105-I299 HydrophobicContact CE1-CG2 3.99Å; F105-I299 HydrophobicContact CE2-CD1 4.27Å; F105-I299 HydrophobicContact CE2-CG1 3.87Å; F105-I299 HydrophobicContact CG-CG1 4.29Å; F105-I299 HydrophobicContact CG-CG2 4.49Å; F105-I299 HydrophobicContact CZ-CD1 3.95Å; F105-I299 HydrophobicContact CZ-CG1 3.91Å; I117-I299 HydrophobicContact CD1-CG2 4.24Å; L159-I299 HydrophobicContact CD2-CD1 4.11Å; F296-I299 HydrophobicContact CB-CD1 3.94Å; F296-I299 HydrophobicContact CB-CG1 4.13Å; F296-I299 HydrophobicContact CD1-CD1 3.98Å; F296-I299 HydrophobicContact CG-CD1 4.18Å; F296-I299 WeakPolarHBondContact O-CA 3.36Å; F296-I299 WeakPolarHBondContact O-CB 3.4Å; F296-I299 PolarHBondContact O-N 2.92Å; S297-I299 VanDerWaalsContact C-N 3.27Å; I299-L305 HydrophobicContact CB-CD2 3.87Å; I299-L305 HydrophobicContact CD1-CD2 3.92Å; I299-L305 HydrophobicContact CG1-CD2 4.4Å; I299-L305 HydrophobicContact CG2-CD2 3.76Å
300T96.6Very high96.9Very high10 Ų1045 Ų456%0.06124%0.244CC..Hα-helixtrans-121.4-8.5-168.261.10000115.7L99 Q100 R302 L305L99-T300 HydrophobicContact CD2-CG2 4.14Å; Q100-T300 VanDerWaalsContact O-CA 3.3Å; Q100-T300 WeakPolarHBondContact O-CA 3.47Å; T300-R302 PolarHBondContact O-N 2.85Å; T300-R302 PolarHBondContact OG1-N 3.01Å; T300-R302 PolarHBondContact OG1-O 3.36Å; T300-L305 HydrophobicContact CG2-CD2 3.8Å
301G96.2Very high96.9Very high52 Ų5242.7 Ų42.754%0.53623%0.231SC..SBendtrans79.3-4.9-169.400000114.1S297S297-G301 WeakPolarHBondContact O-CA 3.39Å; S297-G301 PolarHBondContact O-N 2.93Å
302R94.9Very high96.9Very high158 Ų15839 Ų3960%0.59621%0.207SC*.SBendtrans-124.8164-173.9-67.2167.556.3125.20.5111.6S297 T300 D304S297-R302 WeakPolarHBondContact CA-O 3.39Å; S297-R302 WeakPolarHBondContact CB-O 3.36Å; T300-R302 PolarHBondContact O-N 2.85Å; T300-R302 PolarHBondContact OG1-N 3.01Å; T300-R302 PolarHBondContact OG1-O 3.36Å; R302-D304 WeakPolarHBondContact CB-OD1 3.26Å; R302-D304 IonicContact CZ-OD2 3.19Å; R302-D304 IonicContact NE-OD1 3.16Å; R302-D304 IonicContact NE-OD2 2.73Å; R302-D304 PolarHBondContact NE-OD2 3.35Å; R302-D304 IonicContact NH2-OD2 2.81Å; R302-D304 PolarHBondContact NH2-OD2 2.77Å
303R93.1Very high96.8Very high158 Ų15836.6 Ų36.660%0.59618%0.179SC*.SBendtrans-103.440.7177.8-67.1-171.966.7-174.2-1.1112.7
304D90.7Very high96.6Very high65 Ų6532.3 Ų32.335%0.34816%0.156SC..  trans-119.916.3-176.659.1-8.5000113.2R302R302-D304 WeakPolarHBondContact CB-OD1 3.26Å; R302-D304 IonicContact CZ-OD2 3.19Å; R302-D304 IonicContact NE-OD1 3.16Å; R302-D304 IonicContact NE-OD2 2.73Å; R302-D304 PolarHBondContact NE-OD2 3.35Å; R302-D304 IonicContact NH2-OD2 2.81Å; R302-D304 PolarHBondContact NH2-OD2 2.77Å
305L97.4Very high96.3Very high1 Ų133 Ų331%0.00516%0.159CC..  trans-119132.5178.7-174.263.3000109.8L99 R158 L159 A294 F296 I299 T300L99-L305 HydrophobicContact CD1-CD1 3.73Å; L99-L305 HydrophobicContact CD1-CD2 4.48Å; L99-L305 HydrophobicContact CD2-CD1 4.19Å; R158-L305 HydrophobicContact CB-CD1 3.96Å; L159-L305 HydrophobicContact CB-CD1 3.95Å; L159-L305 HydrophobicContact CB-CG 4.49Å; L159-L305 HydrophobicContact CD2-CD2 4.32Å; L159-L305 HydrophobicContact CD2-CG 4.44Å; A294-L305 WeakPolarHBondContact CB-O 3.37Å; F296-L305 HydrophobicContact CB-CB 4.17Å; F296-L305 HydrophobicContact CB-CD2 4.07Å; F296-L305 HydrophobicContact CB-CG 4.21Å; F296-L305 WeakPolarHBondContact CD2-O 3.28Å; I299-L305 HydrophobicContact CB-CD2 3.87Å; I299-L305 HydrophobicContact CD1-CD2 3.92Å; I299-L305 HydrophobicContact CG1-CD2 4.4Å; I299-L305 HydrophobicContact CG2-CD2 3.76Å; T300-L305 HydrophobicContact CG2-CD2 3.8Å
306Y97.9Very high95.9Very high39 Ų3932.1 Ų32.115%0.15316%0.155CC..  trans-138.8156.1174.563.3-82.9000109.4L156 R158 L159 P291 A294 S308L156-Y306 PolarHBondContact O-OH 2.91Å; R158-Y306 HydrophobicContact CB-CD1 4.36Å; R158-Y306 HydrophobicContact CB-CE1 4.12Å; R158-Y306 HydrophobicContact CG-CD1 4.11Å; R158-Y306 HydrophobicContact CG-CE1 3.47Å; R158-Y306 VanDerWaalsContact CG-CE1 3.47Å; L159-Y306 WeakPolarHBondContact CB-O 3.48Å; P291-Y306 HydrophobicContact CB-CD1 3.82Å; P291-Y306 HydrophobicContact CB-CE1 3.79Å; P291-Y306 HydrophobicContact CB-CG 4.27Å; P291-Y306 HydrophobicContact CG-CD1 4.09Å; P291-Y306 HydrophobicContact CG-CD2 4.09Å; P291-Y306 HydrophobicContact CG-CE1 3.87Å; P291-Y306 HydrophobicContact CG-CE2 3.89Å; P291-Y306 HydrophobicContact CG-CG 4.19Å; A294-Y306 VanDerWaalsContact CB-CB 3.47Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.01Å; Y306-S308 PolarHBondContact O-N 2.8Å
307V98.1Very high95.5Very high0 Ų035 Ų350%017%0.168CC..  trans-73.9115.1170.9177.30000108.2T39 L159 L161 M288 F289 F296 E309T39-V307 HydrophobicContact CG2-CG2 4.07Å; L159-V307 HydrophobicContact CD2-CG2 3.93Å; L159-V307 HydrophobicContact CG-CG2 4.44Å; L161-V307 HydrophobicContact CD1-CB 4.32Å; L161-V307 HydrophobicContact CD1-CG1 3.76Å; L161-V307 HydrophobicContact CD1-CG2 3.59Å; L161-V307 HydrophobicContact CD2-CG1 4.44Å; L161-V307 HydrophobicContact CD2-CG2 4.44Å; M288-V307 HydrophobicContact CE-CB 4.12Å; M288-V307 HydrophobicContact CE-CG1 4.39Å; M288-V307 HydrophobicContact CE-CG2 3.65Å; M288-V307 WeakPolarHBondContact O-CB 3.35Å; M288-V307 PolarHBondContact O-N 3.23Å; F289-V307 WeakPolarHBondContact CA-O 3.45Å; F289-V307 HydrophobicContact CD1-CB 3.92Å; F289-V307 HydrophobicContact CD1-CG1 3.8Å; F289-V307 WeakPolarHBondContact CD1-O 2.88Å; F289-V307 HydrophobicContact CE1-CB 4Å; F289-V307 HydrophobicContact CE1-CG1 3.5Å; F289-V307 VanDerWaalsContact CE1-CG1 3.5Å; F296-V307 HydrophobicContact CE2-CG2 3.87Å; F296-V307 HydrophobicContact CZ-CG2 3.92Å; V307-E309 WeakPolarHBondContact CG1-O 3.46Å
308S97.6Very high95.2Very high10 Ų1033.7 Ų33.77%0.0716%0.159CC..  trans-79.1-45176.5-54.90000110.8T157 R158 L159 K277 Y306T157-S308 WeakPolarHBondContact CA-OG 3.43Å; R158-S308 PolarHBondContact N-OG 2.99Å; L159-S308 PolarHBondContact O-N 3Å; K277-S308 WeakPolarHBondContact CD-O 3.44Å; K277-S308 PolarHBondContact NZ-O 2.81Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.01Å; Y306-S308 PolarHBondContact O-N 2.8Å
309E96.5Very high94.9Very high47 Ų4731.6 Ų31.622%0.2215%0.151CC..EExtended strand (participates in β ladder)trans-146153.9-178-72.9-56.2141.300112A152 L159 V160 L161 K277 V307 F311A152-E309 WeakPolarHBondContact O-CG 3.28Å; L159-E309 PolarHBondContact O-N 3.41Å; V160-E309 WeakPolarHBondContact CA-O 3.33Å; L161-E309 PolarHBondContact N-O 3.34Å; K277-E309 WeakPolarHBondContact CD-OE2 3.32Å; K277-E309 IonicContact NZ-OE1 3.64Å; K277-E309 PolarHBondContact NZ-OE1 2.78Å; V307-E309 WeakPolarHBondContact CG1-O 3.46Å; E309-F311 HydrophobicContact CB-CD2 4.39Å; E309-F311 HydrophobicContact CB-CE2 3.49Å; E309-F311 VanDerWaalsContact CB-CE2 3.49Å; E309-F311 HydrophobicContact CB-CZ 3.67Å; E309-F311 HydrophobicContact CG-CE2 4.27Å; E309-F311 HydrophobicContact CG-CZ 4Å
310A97.4Very high94.6Very high0 Ų032.3 Ų32.30%015%0.154CC..EExtended strand (participates in β ladder)trans-138.3128.8174.700000109.3L161 L276 K277 L280 F289L161-A310 HydrophobicContact CB-CB 4Å; L161-A310 HydrophobicContact CD2-CB 4.46Å; L161-A310 WeakPolarHBondContact O-CA 3.37Å; L276-A310 HydrophobicContact CB-CB 4.21Å; L276-A310 WeakPolarHBondContact CB-O 3.33Å; L276-A310 HydrophobicContact CD2-CB 4.16Å; L276-A310 HydrophobicContact CG-CB 4.2Å; L276-A310 PolarHBondContact N-O 3.38Å; K277-A310 HydrophobicContact CB-CB 4.39Å; K277-A310 PolarHBondContact N-O 3.3Å; L280-A310 HydrophobicContact CD1-CB 4.42Å; F289-A310 HydrophobicContact CE1-CB 4.41Å
311F96.3Very high93.9Very high15 Ų1537.5 Ų37.57%0.06618%0.176CC..EExtended strand (participates in β ladder)trans-124.2136.2-176.8-57.6-79.6000110.7L147 I148 A152 V160 L161 N163 E309L147-F311 HydrophobicContact CD1-CB 3.94Å; L147-F311 HydrophobicContact CD2-CB 4.38Å; L147-F311 HydrophobicContact CG-CB 4.03Å; I148-F311 HydrophobicContact CD1-CD2 3.97Å; I148-F311 HydrophobicContact CD1-CE2 3.93Å; I148-F311 HydrophobicContact CG1-CD2 3.79Å; I148-F311 HydrophobicContact CG1-CE2 3.94Å; I148-F311 HydrophobicContact CG1-CG 4.22Å; I148-F311 HydrophobicContact CG2-CE2 4.09Å; I148-F311 HydrophobicContact CG2-CZ 4.01Å; A152-F311 HydrophobicContact CB-CE1 3.98Å; A152-F311 HydrophobicContact CB-CZ 3.71Å; V160-F311 HydrophobicContact CG1-CD2 3.8Å; V160-F311 HydrophobicContact CG1-CE2 3.79Å; L161-F311 PolarHBondContact O-N 2.86Å; N163-F311 PolarHBondContact N-O 3.49Å; E309-F311 HydrophobicContact CB-CD2 4.39Å; E309-F311 HydrophobicContact CB-CE2 3.49Å; E309-F311 VanDerWaalsContact CB-CE2 3.49Å; E309-F311 HydrophobicContact CB-CZ 3.67Å; E309-F311 HydrophobicContact CG-CE2 4.27Å; E309-F311 HydrophobicContact CG-CZ 4Å
312H96.6Very high92.4Very high2 Ų235.1 Ų35.11%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-128129.2169.9170.966.7000109.7M27 S28 I32 N163 L274 L276M27-H312 WeakPolarHBondContact CA-NE2 3.49Å; S28-H312 PolarHBondContact N-CE1 3.32Å; S28-H312 PolarHBondContact N-NE2 2.98Å; S28-H312 VanDerWaalsContact N-NE2 3.1Å; I32-H312 HydrophobicContact CD1-CB 4.31Å; I32-H312 HydrophobicContact CG1-CB 4.09Å; N163-H312 VanDerWaalsContact O-CA 3.26Å; N163-H312 WeakPolarHBondContact O-CA 3.33Å; N163-H312 PolarHBondContact OD1-CE1 3.18Å; N163-H312 VanDerWaalsContact OD1-CE1 3.28Å; N163-H312 PolarHBondContact OD1-ND1 3.34Å; L274-H312 HydrophobicContact CB-CB 4.11Å; L274-H312 PolarHBondContact N-O 3.33Å; L274-H312 PolarHBondContact O-N 3.01Å; L276-H312 HydrophobicContact CB-CB 4.27Å; L276-H312 HydrophobicContact CD2-CB 4.16Å
313K96.2Very high89.5Confident12 Ų1228.8 Ų28.85%0.05213%0.131CC..EExtended strand (participates in β ladder)trans-129.4129171.3-172.3165.9-171.1161.70110.3I144 K145 L147 N163 A164 I165 E271 H272 D273I144-K313 HydrophobicContact CG2-CB 4.25Å; I144-K313 HydrophobicContact CG2-CD 3.6Å; I144-K313 HydrophobicContact CG2-CG 3.92Å; K145-K313 PolarHBondContact O-NZ 3.26Å; L147-K313 HydrophobicContact CD1-CB 3.38Å; N163-K313 PolarHBondContact O-N 2.86Å; A164-K313 VanDerWaalsContact CA-O 3.3Å; A164-K313 WeakPolarHBondContact CA-O 3.46Å; I165-K313 PolarHBondContact N-O 2.86Å; E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 2.72Å; E271-K313 PolarHBondContact OE1-NZ 2.99Å; H272-K313 WeakPolarHBondContact O-CA 3.32Å; D273-K313 WeakPolarHBondContact OD1-CD 3.37Å; D273-K313 WeakPolarHBondContact OD1-CE 3.48Å; D273-K313 VanDerWaalsContact OD1-CG 3.26Å; D273-K313 WeakPolarHBondContact OD1-CG 3.38Å; D273-K313 IonicContact OD1-NZ 2.86Å; D273-K313 PolarHBondContact OD1-NZ 3.22Å; D273-K313 IonicContact OD2-NZ 2.93Å
314A94.1Very high86.4Confident0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-123.7152.2179.100000110.3F26 I165 H272 F367F26-A314 HydrophobicContact CD2-CB 4.03Å; F26-A314 HydrophobicContact CE2-CB 3.4Å; F26-A314 VanDerWaalsContact CE2-CB 3.4Å; F26-A314 HydrophobicContact CZ-CB 3.83Å; F26-A314 WeakPolarHBondContact CZ-O 3.17Å; I165-A314 HydrophobicContact CG2-CB 4.16Å; I165-A314 WeakPolarHBondContact O-CA 3.25Å; H272-A314 PolarHBondContact N-O 3.4Å; H272-A314 VanDerWaalsContact N-O 3.11Å; H272-A314 PolarHBondContact O-N 3.4Å; A314-F367 HydrophobicContact CB-CE1 4.13Å
315F91.1Very high83.5Confident16 Ų1629.3 Ų29.37%0.0715%0.151CC..EExtended strand (participates in β ladder)trans-136.6134.6174.2-177.1-81.3000109.9I165 Y166 K269 E271 E317I165-F315 PolarHBondContact O-N 3.33Å; Y166-F315 HydrophobicContact CD2-CB 3.98Å; Y166-F315 AromaticContact CD2-CD1 3.43Å; Y166-F315 HydrophobicContact CD2-CD1 3.43Å; Y166-F315 VanDerWaalsContact CD2-CD1 3.43Å; Y166-F315 HydrophobicContact CD2-CE1 4.12Å; Y166-F315 AromaticContact CD2-CG 3.85Å; Y166-F315 HydrophobicContact CD2-CG 3.85Å; Y166-F315 AromaticContact CE2-CD1 3.43Å; Y166-F315 HydrophobicContact CE2-CD1 3.43Å; Y166-F315 VanDerWaalsContact CE2-CD1 3.43Å; Y166-F315 AromaticContact CE2-CE1 3.62Å; Y166-F315 HydrophobicContact CE2-CE1 3.62Å; Y166-F315 HydrophobicContact CE2-CG 4.19Å; Y166-F315 HydrophobicContact CE2-CZ 4.46Å; K269-F315 HydrophobicContact CD-CE2 4.26Å; K269-F315 HydrophobicContact CD-CZ 4.05Å; K269-F315 HydrophobicContact CG-CE2 4.2Å; K269-F315 HydrophobicContact CG-CZ 3.99Å; E271-F315 HydrophobicContact CB-CD2 4.2Å; E271-F315 HydrophobicContact CG-CD2 4.35Å; F315-E317 HydrophobicContact CE1-CB 3.9Å; F315-E317 HydrophobicContact CZ-CB 4.39Å
316I90Very high80Confident0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-141140.4171.1-170.8175.3000110.3F26 K269 L270 V318 F355 I357F26-I316 HydrophobicContact CD2-CB 4.41Å; F26-I316 HydrophobicContact CD2-CG2 3.75Å; F26-I316 HydrophobicContact CE1-CG2 4.5Å; F26-I316 HydrophobicContact CE2-CB 4Å; F26-I316 HydrophobicContact CE2-CG2 3.56Å; F26-I316 HydrophobicContact CG-CG2 4.28Å; F26-I316 HydrophobicContact CZ-CG2 3.97Å; K269-I316 WeakPolarHBondContact CA-O 3.47Å; L270-I316 HydrophobicContact CB-CG2 3.9Å; L270-I316 PolarHBondContact N-O 3.07Å; L270-I316 PolarHBondContact O-N 3.26Å; I316-V318 HydrophobicContact CD1-CG2 4.3Å; I316-V318 HydrophobicContact CG1-CG2 4.29Å; I316-F355 HydrophobicContact CD1-CD2 4.43Å; I316-F355 HydrophobicContact CD1-CE2 3.97Å; I316-I357 HydrophobicContact CD1-CD1 3.52Å; I316-I357 HydrophobicContact CD1-CG1 4.33Å; I316-I357 HydrophobicContact CG1-CD1 4.33Å
317E89.8Confident76.7Confident60 Ų6036.8 Ų36.828%0.2822%0.221SC..EExtended strand (participates in β ladder)trans-129.9129.7172.3-173-175.5168.200109.8K269 F315 N319K269-E317 HydrophobicContact CB-CG 4.36Å; F315-E317 HydrophobicContact CE1-CB 3.9Å; F315-E317 HydrophobicContact CZ-CB 4.39Å; E317-N319 PolarHBondContact OE1-ND2 3.5Å
318V91.8Very high73.2Confident0 Ų041.9 Ų41.90%026%0.263CS..EExtended strand (participates in β ladder)trans-120.4109.6-179.2177.60000106.7W171 M198 M226 K267 F268 I316W171-V318 HydrophobicContact CZ2-CG1 3.96Å; M198-V318 HydrophobicContact CE-CG1 3.92Å; M226-V318 HydrophobicContact CE-CG2 3.83Å; M226-V318 HydrophobicContact SD-CG2 3.9Å; K267-V318 WeakPolarHBondContact CA-O 3.22Å; K267-V318 WeakPolarHBondContact CG-O 3.36Å; F268-V318 HydrophobicContact CD1-CB 4.12Å; F268-V318 HydrophobicContact CD1-CG1 4.31Å; F268-V318 HydrophobicContact CD2-CB 4.27Å; F268-V318 HydrophobicContact CD2-CG2 4.16Å; F268-V318 HydrophobicContact CE1-CB 3.98Å; F268-V318 HydrophobicContact CE1-CG1 3.99Å; F268-V318 HydrophobicContact CE1-CG2 4Å; F268-V318 HydrophobicContact CE2-CB 4.16Å; F268-V318 HydrophobicContact CE2-CG2 3.61Å; F268-V318 HydrophobicContact CG-CB 4.28Å; F268-V318 HydrophobicContact CZ-CB 4.03Å; F268-V318 HydrophobicContact CZ-CG1 4.37Å; F268-V318 HydrophobicContact CZ-CG2 3.54Å; F268-V318 PolarHBondContact N-O 3.12Å; F268-V318 PolarHBondContact O-N 3.3Å; I316-V318 HydrophobicContact CD1-CG2 4.3Å; I316-V318 HydrophobicContact CG1-CG2 4.29Å
319N92.2Very high69.9Low19 Ų1946.9 Ų46.910%0.10229%0.293CS..  trans-142.9-178.8-17968.538.7000110.6W171 K267 E317 K321 G322W171-N319 PolarHBondContact NE1-O 3.32Å; K267-N319 HydrophobicContact CD-CB 4.26Å; K267-N319 HydrophobicContact CG-CB 4.18Å; E317-N319 PolarHBondContact OE1-ND2 3.5Å; N319-K321 VanDerWaalsContact C-N 3.29Å; N319-K321 PolarHBondContact O-N 2.73Å; N319-K321 PolarHBondContact OD1-N 2.74Å; N319-K321 VanDerWaalsContact OD1-N 3.09Å; N319-G322 PolarHBondContact O-N 3.37Å; N319-G322 PolarHBondContact OD1-N 2.84Å
320E91.9Very high66.5Low15 Ų1549.2 Ų49.27%0.0732%0.32CS..SBendtrans-65-33.6-170.7-63.990.4157.600113.6P174 F175 T180 M198 K267P174-E320 WeakPolarHBondContact CA-O 3.01Å; P174-E320 WeakPolarHBondContact CB-O 3.26Å; F175-E320 HydrophobicContact CB-CB 3.98Å; F175-E320 HydrophobicContact CB-CG 4.13Å; F175-E320 PolarHBondContact N-O 2.74Å; T180-E320 WeakPolarHBondContact CB-OE1 3.42Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.48Å; T180-E320 VanDerWaalsContact OG1-CG 3.3Å; T180-E320 WeakPolarHBondContact OG1-CG 3.33Å; T180-E320 PolarHBondContact OG1-OE1 2.81Å; M198-E320 HydrophobicContact CG-CG 4.01Å; M198-E320 HydrophobicContact SD-CB 4.39Å; M198-E320 HydrophobicContact SD-CG 3.87Å; M198-E320 PolarHBondContact SD-N 3.18Å; K267-E320 IonicContact NZ-OE1 3.7Å; K267-E320 IonicContact NZ-OE2 2.71Å; K267-E320 PolarHBondContact NZ-OE2 3.19Å
321K82.2Confident63.3Low118 Ų11854.3 Ų54.351%0.51335%0.351SS..SBendtrans-87.5-37.5-176.3-61.5-175.6178.1-174.50111.3G170 W171 N319 S323G170-K321 WeakPolarHBondContact CA-O 3.5Å; W171-K321 PolarHBondContact N-O 3.24Å; N319-K321 VanDerWaalsContact C-N 3.29Å; N319-K321 PolarHBondContact O-N 2.73Å; N319-K321 PolarHBondContact OD1-N 2.74Å; N319-K321 VanDerWaalsContact OD1-N 3.09Å; K321-S323 PolarHBondContact O-N 3.41Å
322G64.1Low60Low3 Ų360 Ų603%0.03139%0.387CS..SBendtrans67-41.1-160.700000112.9K168 A169 G170 N319K168-G322 WeakPolarHBondContact CG-O 3.47Å; A169-G322 CarbonylContact C-O 3.31Å; A169-G322 VanDerWaalsContact C-O 3.31Å; A169-G322 CarbonylContact O-C 3.43Å; A169-G322 WeakPolarHBondContact O-CA 3.25Å; A169-G322 VanDerWaalsContact O-O 3.13Å; G170-G322 VanDerWaalsContact CA-C 3.48Å; N319-G322 PolarHBondContact O-N 3.37Å; N319-G322 PolarHBondContact OD1-N 2.84Å
323S34.3Very low56.9Low24 Ų2467.9 Ų67.917%0.16843%0.426CS..SBendtrans-176.7172.5158.8-160.10000107.9G170 K321 A325G170-S323 VanDerWaalsContact CA-N 3.32Å; K321-S323 PolarHBondContact O-N 3.41Å; S323-A325 PolarHBondContact O-N 3.29Å
324E27.9Very low54.1Low162 Ų16272 Ų7276%0.75746%0.462SS*.SBendtrans-74.3111.2-165.6-173.2173.5-170.500115
325A29.9Very low51.3Low73 Ų7380.6 Ų80.660%0.60351%0.507SS*.  trans-159.1117.6144.500000108.9S323S323-A325 PolarHBondContact O-N 3.29Å
326A24.8Very low49Very low106 Ų10682.9 Ų82.988%0.87654%0.535SS*.  trans-90.1119.3173.400000109
327A27.6Very low46.8Very low90 Ų9088.6 Ų88.674%0.74458%0.575SS**  trans-146.1100.815700000108.1T329A327-T329 PolarHBondContact O-N 3.1Å
328A25Very low44.6Very low107 Ų10791.6 Ų91.688%0.88460%0.603SS**  trans-77.1109.9172.200000108.7
329T28.2Very low42.7Very low116 Ų11699 Ų9971%0.71264%0.642SS**  trans-112.591.5164.5-17.30000108.1A327 V331A327-T329 PolarHBondContact O-N 3.1Å; T329-V331 PolarHBondContact O-N 3.34Å
330A24.7Very low40.7Very low95 Ų95104.4 Ų104.479%0.78568%0.675SS**  trans-75.9100.4170.500000108.6
331V30.1Very low39.1Very low107 Ų107114 Ų11465%0.64871%0.711SS**  trans-89.3104.3167.1178.50000107.6T329 M333T329-V331 PolarHBondContact O-N 3.34Å; V331-M333 HydrophobicContact CG1-CE 4.03Å; V331-M333 HydrophobicContact CG1-CG 3.91Å
332V26.6Very low38.8Very low135 Ų135114.3 Ų114.382%0.81872%0.717SS**  trans-84105167.8-1800000106.9
333M32.7Very low39.9Very low167 Ų167118.8 Ų118.882%0.82375%0.745SS**PPolyproline II helixtrans-90.9129.7167.5-72.5-163.4-158.600110.3V331V331-M333 HydrophobicContact CG1-CE 4.03Å; V331-M333 HydrophobicContact CG1-CG 3.91Å
334A36.8Very low42.6Very low99 Ų99119 Ų11982%0.81875%0.746SS**PPolyproline II helixtrans-69.5151.4-176.400000113
335L35.8Very low45.9Very low180 Ų180112 Ų11294%0.94272%0.715SS**PPolyproline II helixtrans-69.2122.8179.2-72.6149.8000111
336G41.6Very low49.1Very low65 Ų65114.4 Ų114.467%0.6771%0.711SS**  trans-144116.1168.700000110.4
337S45.5Very low52.6Low120 Ų120109.3 Ų109.384%0.83967%0.67SS**SBendtrans51.3140.4170.6590000120.1L339S337-L339 PolarHBondContact O-N 3.04Å
338S43.1Very low56Low123 Ų123107.2 Ų107.286%0.8665%0.647SS**  trans-6586.7-169.957.60000113.7
339L51.5Low59.5Low155 Ų155102.1 Ų102.181%0.81261%0.605SS**  trans-80.6135.2153.1-67.8171.4000107.5S337 R341S337-L339 PolarHBondContact O-N 3.04Å; L339-R341 PolarHBondContact O-N 3.14Å
340V49.6Very low62.8Low133 Ų13398.3 Ų98.381%0.80658%0.581SS**  trans-45.1106.9169.3175.20000106.9I342V340-I342 HydrophobicContact CG1-CG1 4.08Å; V340-I342 PolarHBondContact O-N 2.72Å
341R60Low66.3Low217 Ų21794.4 Ų94.482%0.81955%0.546SS*.  trans-76.777.8-176.1-174.3175.6166.8174.2-4.8106.9L339 P343L339-R341 PolarHBondContact O-N 3.14Å; R341-P343 WeakPolarHBondContact O-CD 3.3Å; R341-P343 VanDerWaalsContact O-N 3.1Å
342I74.4Confident69.6Low123 Ų12389.4 Ų89.463%0.63152%0.516SS*.PPolyproline II helixtrans-56.1117.8170.5-59.9176.1000105.4V340V340-I342 HydrophobicContact CG1-CG1 4.08Å; V340-I342 PolarHBondContact O-N 2.72Å
343P87Confident72.9Confident98 Ų9883 Ų8364%0.63648%0.477SS*.PPolyproline II helixtrans-58.8138.9177.824.5-32.2000108.3R341R341-P343 WeakPolarHBondContact O-CD 3.3Å; R341-P343 VanDerWaalsContact O-N 3.1Å
344P92.5Very high76.1Confident27 Ų2775.1 Ų75.118%0.17544%0.438CS..PPolyproline II helixtrans-60.8147177.223.1-28.4000109.7K260K260-P344 HydrophobicContact CB-CB 4.42Å; K260-P344 HydrophobicContact CG-CB 4.26Å; K260-P344 WeakPolarHBondContact O-CB 3.47Å
345P96.4Very high78.9Confident16 Ų1670.4 Ų70.410%0.10440%0.399CS..PPolyproline II helixtrans-56.8149.2173.627-36.9000110.3Y206 K260 V261 E262Y206-P345 HydrophobicContact CD1-CG 4.1Å; Y206-P345 HydrophobicContact CE1-CB 3.91Å; Y206-P345 HydrophobicContact CE1-CG 3.8Å; Y206-P345 HydrophobicContact CE2-CB 4.32Å; Y206-P345 HydrophobicContact CE2-CG 4.44Å; K260-P345 WeakPolarHBondContact O-CD 3.48Å; V261-P345 HydrophobicContact CG1-CG 4.36Å; V261-P345 WeakPolarHBondContact CG1-O 3.26Å; V261-P345 HydrophobicContact CG2-CG 4.15Å; E262-P345 PolarHBondContact N-O 3.26Å
346K98Very high81.9Confident123 Ų12361.9 Ų61.954%0.53536%0.355SS..EExtended strand (participates in β ladder)trans-102.5128.7172.4-58.8-167.8179-138.40108.9Q213 E262Q213-K346 PolarHBondContact NE2-O 2.94Å; E262-K346 HydrophobicContact CB-CG 4.23Å; E262-K346 CarbonylContact O-C 3.55Å; E262-K346 WeakPolarHBondContact O-CA 3.49Å; E262-K346 VanDerWaalsContact OE1-CE 3.31Å; E262-K346 WeakPolarHBondContact OE1-CE 3.45Å; E262-K346 IonicContact OE1-NZ 2.78Å; E262-K346 PolarHBondContact OE1-NZ 2.68Å
347F98.6Very high84.4Confident0 Ų058.8 Ų58.80%032%0.323CS..EExtended strand (participates in β ladder)trans-112.998.9171.2-173.4-82.5000107.3Y206 Q213 L215 F228 L230 V261 E262 D264 I265 A349Y206-F347 HydrophobicContact CE2-CB 4.43Å; Y206-F347 HydrophobicContact CE2-CD2 4.13Å; Q213-F347 HydrophobicContact CB-CD2 3.71Å; Q213-F347 HydrophobicContact CB-CE2 3.71Å; L215-F347 HydrophobicContact CB-CD1 4.16Å; L215-F347 HydrophobicContact CB-CD2 3.74Å; L215-F347 HydrophobicContact CB-CE1 4.1Å; L215-F347 HydrophobicContact CB-CE2 3.67Å; L215-F347 HydrophobicContact CB-CG 3.99Å; L215-F347 HydrophobicContact CB-CZ 3.87Å; L215-F347 HydrophobicContact CD2-CB 4.27Å; L215-F347 HydrophobicContact CD2-CD1 3.52Å; L215-F347 HydrophobicContact CD2-CD2 4.43Å; L215-F347 HydrophobicContact CD2-CE1 3.9Å; L215-F347 HydrophobicContact CD2-CG 3.82Å; L215-F347 HydrophobicContact CG-CD1 4.5Å; L215-F347 HydrophobicContact CG-CG 4.49Å; F228-F347 HydrophobicContact CB-CE1 3.8Å; F228-F347 HydrophobicContact CB-CZ 3.51Å; F228-F347 HydrophobicContact CG-CE1 4.45Å; L230-F347 HydrophobicContact CB-CE1 4.46Å; L230-F347 HydrophobicContact CB-CE2 3.73Å; L230-F347 HydrophobicContact CB-CZ 3.58Å; L230-F347 HydrophobicContact CD2-CE1 4.38Å; L230-F347 HydrophobicContact CD2-CE2 4.25Å; L230-F347 HydrophobicContact CD2-CZ 4.16Å; L230-F347 HydrophobicContact CG-CZ 4.48Å; V261-F347 HydrophobicContact CG1-CB 3.88Å; E262-F347 PolarHBondContact O-N 3.03Å; D264-F347 PolarHBondContact N-O 2.86Å; I265-F347 HydrophobicContact CG1-CD1 4.44Å; I265-F347 HydrophobicContact CG1-CE1 4.44Å; F347-A349 HydrophobicContact CE1-CB 4Å
348T98.4Very high86.8Confident45 Ų4553.3 Ų53.328%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-114.5100.8-177.4-58.60000109.2L230 D264 D350L230-T348 WeakPolarHBondContact CD2-O 3.44Å; D264-T348 HydrophobicContact CB-CG2 4.07Å; D264-T348 PolarHBondContact OD2-OG1 2.9Å; T348-D350 HydrophobicContact CG2-CB 4.03Å; T348-D350 PolarHBondContact O-N 2.8Å
349A98.3Very high89.1Confident0 Ų047.4 Ų47.40%024%0.243CC..  trans-83.959.7-177.400000111.9F185 L230 D264 F347 H351 F353F185-A349 WeakPolarHBondContact CE2-O 3.09Å; L230-A349 HydrophobicContact CD1-CB 4.34Å; D264-A349 PolarHBondContact O-N 3.13Å; F347-A349 HydrophobicContact CE1-CB 4Å; A349-H351 VanDerWaalsContact C-N 3.31Å; A349-F353 HydrophobicContact CB-CD1 3.7Å; A349-F353 HydrophobicContact CB-CE1 3.77Å; A349-F353 HydrophobicContact CB-CG 4.46Å
350D98.1Very high90.6Very high37 Ų3744.8 Ų44.820%0.19822%0.222CC..  trans-88.310.1-177.670.2-7000114.2F185 Y186 M197 T348F185-D350 CarbonylContact C-O 3.54Å; F185-D350 VanDerWaalsContact CA-O 3.28Å; F185-D350 WeakPolarHBondContact CA-O 3.46Å; F185-D350 VanDerWaalsContact CD2-C 3.47Å; Y186-D350 HydrophobicContact CD2-CB 4.43Å; Y186-D350 VanDerWaalsContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CD2-O 3.34Å; Y186-D350 HydrophobicContact CE2-CB 4.49Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.33Å; Y186-D350 PolarHBondContact N-O 2.85Å; M197-D350 HydrophobicContact CE-CB 4.31Å; T348-D350 HydrophobicContact CG2-CB 4.03Å; T348-D350 PolarHBondContact O-N 2.8Å
351H98.1Very high92.2Very high12 Ų1242.8 Ų42.86%0.05621%0.214CC..SBendtrans-155.2172.4-178.763-91.1000110.4F185 L230 P231 R234 A349 F353F185-H351 WeakPolarHBondContact CZ-O 3.31Å; L230-H351 VanDerWaalsContact CD1-NE2 3.35Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.39Å; P231-H351 PolarHBondContact O-CE1 3.39Å; P231-H351 PolarHBondContact O-NE2 3.38Å; R234-H351 VanDerWaalsContact CA-CD2 3.47Å; R234-H351 WeakPolarHBondContact CA-CD2 3.44Å; R234-H351 HydrophobicContact CB-CB 4.48Å; R234-H351 HydrophobicContact CG-CB 3.58Å; R234-H351 WeakPolarHBondContact O-CB 3.22Å; R234-H351 PolarHBondContact O-CD2 3.03Å; A349-H351 VanDerWaalsContact C-N 3.31Å; H351-F353 VanDerWaalsContact O-CD1 3.29Å; H351-F353 WeakPolarHBondContact O-CD1 3.25Å; H351-F353 PolarHBondContact O-N 2.81Å
352P97.8Very high93.3Very high3 Ų335.7 Ų35.72%0.01919%0.193CC..  trans-55.6127.3-169.5-29.434.4000114.6F185 Y186 V187 L237 Y371 Y372F185-P352 HydrophobicContact CE1-CG 4.35Å; Y186-P352 WeakPolarHBondContact O-CD 3.29Å; V187-P352 VanDerWaalsContact O-CG 3.27Å; V187-P352 WeakPolarHBondContact O-CG 3.33Å; L237-P352 HydrophobicContact CB-CB 4.1Å; L237-P352 HydrophobicContact CD2-CB 3.6Å; L237-P352 HydrophobicContact CG-CB 4.48Å; P352-Y371 VanDerWaalsContact CA-O 3.28Å; P352-Y371 WeakPolarHBondContact CA-O 3.44Å; P352-Y372 HydrophobicContact CB-CD1 3.71Å; P352-Y372 HydrophobicContact CB-CE1 3.54Å; P352-Y372 HydrophobicContact CB-CE2 4.49Å; P352-Y372 HydrophobicContact CB-CG 4.26Å; P352-Y372 HydrophobicContact CG-CD1 3.34Å; P352-Y372 HydrophobicContact CG-CE1 3.45Å; P352-Y372 VanDerWaalsContact CG-CE1 3.45Å; P352-Y372 HydrophobicContact CG-CG 4.18Å
353F97.9Very high93.9Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-132158.5179.558.1-97.5000111.3F185 F228 L230 P266 F268 A349 H351 F355 D370 Y371F185-F353 HydrophobicContact CE2-CD1 4.41Å; F185-F353 HydrophobicContact CE2-CE1 4.08Å; F228-F353 AromaticContact CD1-CD2 3.96Å; F228-F353 HydrophobicContact CD1-CD2 3.96Å; F228-F353 AromaticContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CZ 4.34Å; F228-F353 AromaticContact CE1-CE2 4Å; F228-F353 HydrophobicContact CE1-CE2 4Å; F228-F353 HydrophobicContact CE1-CZ 4.47Å; L230-F353 HydrophobicContact CD1-CB 3.83Å; P266-F353 HydrophobicContact CG-CE1 3.67Å; P266-F353 HydrophobicContact CG-CZ 3.78Å; F268-F353 HydrophobicContact CE1-CE2 4.28Å; F268-F353 AromaticContact CE1-CZ 3.98Å; F268-F353 HydrophobicContact CE1-CZ 3.98Å; A349-F353 HydrophobicContact CB-CD1 3.7Å; A349-F353 HydrophobicContact CB-CE1 3.77Å; A349-F353 HydrophobicContact CB-CG 4.46Å; H351-F353 VanDerWaalsContact O-CD1 3.29Å; H351-F353 WeakPolarHBondContact O-CD1 3.25Å; H351-F353 PolarHBondContact O-N 2.81Å; F353-F355 HydrophobicContact CD2-CB 4.32Å; F353-F355 HydrophobicContact CD2-CD1 4.49Å; F353-F355 HydrophobicContact CE2-CB 4.19Å; F353-F355 HydrophobicContact CE2-CD1 4.09Å; F353-D370 VanDerWaalsContact O-CA 3.29Å; F353-D370 WeakPolarHBondContact O-CA 3.32Å; F353-Y371 AromaticContact CE1-CD1 3.59Å; F353-Y371 HydrophobicContact CE1-CD1 3.59Å; F353-Y371 HydrophobicContact CE1-CG 4.21Å; F353-Y371 AromaticContact CZ-CD1 3.65Å; F353-Y371 HydrophobicContact CZ-CD1 3.65Å; F353-Y371 AromaticContact CZ-CG 3.88Å; F353-Y371 HydrophobicContact CZ-CG 3.88Å; F353-Y371 PolarHBondContact O-N 2.84Å; F353-Y371 VanDerWaalsContact O-N 3.1Å
354L97.8Very high94.1Very high1 Ų125.8 Ų25.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-86.4140.5166.6174.175.6000108.7F228 V229 L237 M240 M241 L244 L249 I368 G369F228-L354 WeakPolarHBondContact CA-O 3.37Å; V229-L354 HydrophobicContact CB-CB 4.22Å; V229-L354 HydrophobicContact CB-CD2 4.32Å; V229-L354 HydrophobicContact CG2-CD2 4.26Å; V229-L354 PolarHBondContact N-O 2.87Å; V229-L354 PolarHBondContact O-N 2.74Å; L237-L354 HydrophobicContact CD1-CB 4.21Å; M240-L354 HydrophobicContact CE-CB 3.56Å; M240-L354 HydrophobicContact CE-CD2 4.15Å; M240-L354 HydrophobicContact CE-CG 4.47Å; M241-L354 HydrophobicContact CE-CD1 4Å; M241-L354 HydrophobicContact SD-CB 4.34Å; M241-L354 HydrophobicContact SD-CD1 3.96Å; M241-L354 HydrophobicContact SD-CD2 4.17Å; M241-L354 HydrophobicContact SD-CG 4.38Å; L244-L354 HydrophobicContact CD1-CD2 4.19Å; L249-L354 HydrophobicContact CD1-CD2 3.79Å; L354-I368 HydrophobicContact CD1-CD1 4.13Å; L354-I368 HydrophobicContact CD1-CG1 3.75Å; L354-G369 WeakPolarHBondContact CA-O 3.41Å; L354-G369 WeakPolarHBondContact CD1-O 3.41Å
355F97.3Very high94.2Very high1 Ų124.5 Ų24.50%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-127.2152.4166.667.6-91.1000111.8F26 M226 Y227 F228 F268 L270 I316 F353 I368 G369F26-F355 HydrophobicContact CB-CE2 4.31Å; F26-F355 HydrophobicContact CB-CZ 3.78Å; F26-F355 HydrophobicContact CG-CZ 4.47Å; M226-F355 HydrophobicContact CE-CB 3.6Å; M226-F355 HydrophobicContact CE-CD2 3.63Å; M226-F355 HydrophobicContact CE-CG 3.75Å; Y227-F355 CarbonylContact O-C 3.49Å; Y227-F355 WeakPolarHBondContact O-CA 3.45Å; F228-F355 HydrophobicContact CD1-CB 4.26Å; F228-F355 HydrophobicContact CE1-CB 4.45Å; F268-F355 HydrophobicContact CE2-CE1 4.18Å; F268-F355 HydrophobicContact CE2-CZ 4.2Å; F268-F355 HydrophobicContact CZ-CD1 4.13Å; F268-F355 HydrophobicContact CZ-CE1 4.2Å; F268-F355 HydrophobicContact CZ-CG 4.37Å; L270-F355 HydrophobicContact CD1-CE1 3.89Å; L270-F355 HydrophobicContact CD1-CZ 3.7Å; I316-F355 HydrophobicContact CD1-CD2 4.43Å; I316-F355 HydrophobicContact CD1-CE2 3.97Å; F353-F355 HydrophobicContact CD2-CB 4.32Å; F353-F355 HydrophobicContact CD2-CD1 4.49Å; F353-F355 HydrophobicContact CE2-CB 4.19Å; F353-F355 HydrophobicContact CE2-CD1 4.09Å; F355-I368 WeakPolarHBondContact O-CA 3.4Å; F355-G369 WeakPolarHBondContact CD1-O 3.21Å; F355-G369 PolarHBondContact N-O 3.33Å; F355-G369 PolarHBondContact O-N 2.99Å
356A97.4Very high94.1Very high1 Ų123.8 Ų23.81%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-147.4142.5175.200000111.2M226 Y227 F253 V358 I365 F367 I368M226-A356 CarbonylContact C-O 3.56Å; M226-A356 WeakPolarHBondContact CA-O 3.16Å; Y227-A356 PolarHBondContact N-O 3.06Å; Y227-A356 PolarHBondContact O-N 3.41Å; F253-A356 HydrophobicContact CE1-CB 4.46Å; F253-A356 HydrophobicContact CE2-CB 4.36Å; F253-A356 HydrophobicContact CZ-CB 3.72Å; A356-V358 HydrophobicContact CB-CG2 3.96Å; A356-I365 HydrophobicContact CB-CG2 4.38Å; A356-F367 CarbonylContact C-O 3.54Å; A356-F367 WeakPolarHBondContact CA-O 3.38Å; A356-F367 WeakPolarHBondContact CB-O 3.07Å; A356-I368 HydrophobicContact CB-CG1 4.39Å
357I95.3Very high93.9Very high0 Ų017.9 Ų17.90%010%0.1CC..EExtended strand (participates in β ladder)trans-100.2119.9166.8-62.7167.7000107.3F167 Y219 L224 L225 M226 I316 L366 F367F167-I357 HydrophobicContact CD1-CD1 3.49Å; F167-I357 VanDerWaalsContact CD1-CD1 3.49Å; F167-I357 HydrophobicContact CE1-CD1 3.43Å; F167-I357 VanDerWaalsContact CE1-CD1 3.43Å; F167-I357 HydrophobicContact CE1-CG1 4.5Å; F167-I357 HydrophobicContact CE2-CG2 4.37Å; F167-I357 HydrophobicContact CG-CD1 4.17Å; F167-I357 HydrophobicContact CZ-CD1 4.02Å; F167-I357 HydrophobicContact CZ-CG2 4.18Å; Y219-I357 HydrophobicContact CE2-CD1 4.43Å; Y219-I357 HydrophobicContact CE2-CG1 4.17Å; Y219-I357 HydrophobicContact CE2-CG2 4.16Å; L224-I357 HydrophobicContact CB-CG2 4.39Å; L225-I357 WeakPolarHBondContact O-CA 3.23Å; M226-I357 HydrophobicContact CB-CG1 4.47Å; M226-I357 HydrophobicContact CG-CG1 4.3Å; I316-I357 HydrophobicContact CD1-CD1 3.52Å; I316-I357 HydrophobicContact CD1-CG1 4.33Å; I316-I357 HydrophobicContact CG1-CD1 4.33Å; I357-L366 HydrophobicContact CG2-CB 4.35Å; I357-L366 HydrophobicContact CG2-CD2 4.41Å; I357-L366 PolarHBondContact O-N 3.01Å; I357-F367 HydrophobicContact CB-CB 4.23Å; I357-F367 HydrophobicContact CB-CD2 4.24Å; I357-F367 HydrophobicContact CD1-CB 4.25Å; I357-F367 HydrophobicContact CD1-CD2 3.79Å; I357-F367 HydrophobicContact CD1-CG 4.27Å; I357-F367 HydrophobicContact CG1-CB 4.4Å; I357-F367 PolarHBondContact N-O 2.71Å; I357-F367 PolarHBondContact O-N 2.82Å
358V95Very high93.8Very high4 Ų417.9 Ų17.92%0.02410%0.1CC..EExtended strand (participates in β ladder)trans-124.4131.3-171.2-172.70000110.3L224 L225 Y227 F253 A356 R360 I364 I365L224-V358 WeakPolarHBondContact CA-O 3.12Å; L225-V358 PolarHBondContact N-O 2.86Å; L225-V358 VanDerWaalsContact N-O 3.07Å; L225-V358 PolarHBondContact O-N 2.88Å; Y227-V358 HydrophobicContact CD2-CB 4.03Å; Y227-V358 HydrophobicContact CD2-CG2 3.79Å; Y227-V358 HydrophobicContact CE2-CB 4.13Å; Y227-V358 HydrophobicContact CE2-CG2 4.33Å; F253-V358 HydrophobicContact CD2-CG2 3.94Å; F253-V358 HydrophobicContact CE2-CG2 3.7Å; F253-V358 HydrophobicContact CZ-CG2 4.24Å; A356-V358 HydrophobicContact CB-CG2 3.96Å; V358-R360 PolarHBondContact O-N 3.06Å; V358-I364 WeakPolarHBondContact CA-O 3.29Å; V358-I365 HydrophobicContact CG2-CG1 4.35Å
359D91.8Very high93.7Very high0 Ų015.8 Ų15.80%09%0.087CC..EExtended strand (participates in β ladder)trans-79.899.9163.51744.6000108.7S75 F76 K223 L224 S361 N362 G363 I364S75-D359 PolarHBondContact OG-OD2 3.38Å; F76-D359 HydrophobicContact CE1-CB 4.23Å; F76-D359 HydrophobicContact CZ-CB 3.79Å; K223-D359 WeakPolarHBondContact CE-OD1 3.44Å; K223-D359 WeakPolarHBondContact CE-OD2 3.39Å; K223-D359 WeakPolarHBondContact CG-OD1 3.45Å; K223-D359 IonicContact NZ-OD2 2.71Å; K223-D359 PolarHBondContact NZ-OD2 3.16Å; L224-D359 HydrophobicContact CD2-CB 3.73Å; D359-S361 PolarHBondContact O-N 3.3Å; D359-S361 WeakPolarHBondContact OD1-CB 3.45Å; D359-S361 PolarHBondContact OD1-N 3.16Å; D359-N362 PolarHBondContact O-N 3.39Å; D359-N362 PolarHBondContact OD2-ND2 3.28Å; D359-G363 WeakPolarHBondContact O-CA 3.39Å; D359-G363 PolarHBondContact O-N 2.97Å; D359-I364 HydrophobicContact CB-CB 4.32Å; D359-I364 PolarHBondContact N-O 2.74Å; D359-I364 PolarHBondContact O-N 2.91Å
360R84Confident93.6Very high99 Ų9915.8 Ų15.837%0.3749%0.087SC..THydrogen-bonded Turntrans-62.6-29.2-177.8-103.9-159.6161.1-175.68.5112.9K223 L225 Y227 F253 A256 V358 N362K223-R360 PolarHBondContact O-N 2.88Å; L225-R360 HydrophobicContact CD1-CB 4.4Å; L225-R360 HydrophobicContact CD1-CG 4.27Å; Y227-R360 PolarHBondContact OH-NE 3.46Å; Y227-R360 PolarHBondContact OH-NH2 3.39Å; F253-R360 PolarHBondContact O-NH2 2.97Å; A256-R360 PolarHBondContact O-NH2 2.84Å; A256-R360 VanDerWaalsContact O-NH2 3.14Å; V358-R360 PolarHBondContact O-N 3.06Å; R360-N362 PolarHBondContact O-N 3.17Å
361S82.5Confident93.5Very high91 Ų9114.2 Ų14.264%0.6368%0.079SC*.THydrogen-bonded Turntrans-68.5-25.6-178.9-54.60000112.9D359D359-S361 PolarHBondContact O-N 3.3Å; D359-S361 WeakPolarHBondContact OD1-CB 3.45Å; D359-S361 PolarHBondContact OD1-N 3.16Å
362N83.6Confident93.3Very high69 Ų6914.2 Ų14.237%0.3698%0.078SC..THydrogen-bonded Turntrans-123-1.4-177.4-61.6-73.5000113.7S75 D359 R360 I364S75-N362 PolarHBondContact OG-ND2 2.85Å; D359-N362 PolarHBondContact O-N 3.39Å; D359-N362 PolarHBondContact OD2-ND2 3.28Å; R360-N362 PolarHBondContact O-N 3.17Å; N362-I364 HydrophobicContact CB-CD1 3.63Å; N362-I364 HydrophobicContact CB-CG1 3.78Å; N362-I364 PolarHBondContact O-N 3.24Å
363G86.2Confident93Very high13 Ų1314.5 Ų14.513%0.1348%0.081CC..THydrogen-bonded Turntrans6024.6-172.600000113.9D4 D359D4-G363 WeakPolarHBondContact CA-O 3.25Å; D4-G363 VanDerWaalsContact CB-O 3.32Å; D4-G363 WeakPolarHBondContact CB-O 3.49Å; D359-G363 WeakPolarHBondContact O-CA 3.39Å; D359-G363 PolarHBondContact O-N 2.97Å
364I91.7Very high92Very high0 Ų017.6 Ų17.60%010%0.1CC..EExtended strand (participates in β ladder)trans-87.6120.1-175.9-62.9168.5000109.5L3 T7 F30 A72 F76 V358 D359 N362 L366L3-I364 HydrophobicContact CD2-CD1 3.97Å; L3-I364 HydrophobicContact CD2-CG1 4.21Å; T7-I364 HydrophobicContact CG2-CG2 4.38Å; F30-I364 HydrophobicContact CB-CG2 3.88Å; F30-I364 HydrophobicContact CD1-CG2 4.22Å; F30-I364 HydrophobicContact CD2-CG2 3.62Å; F30-I364 HydrophobicContact CE2-CD1 4.4Å; F30-I364 HydrophobicContact CE2-CG2 4.2Å; F30-I364 HydrophobicContact CG-CG2 3.63Å; A72-I364 HydrophobicContact CB-CD1 3.72Å; F76-I364 HydrophobicContact CE2-CB 4.2Å; F76-I364 HydrophobicContact CE2-CD1 3.84Å; F76-I364 HydrophobicContact CE2-CG2 3.83Å; F76-I364 HydrophobicContact CZ-CB 4.19Å; F76-I364 HydrophobicContact CZ-CG2 3.94Å; V358-I364 WeakPolarHBondContact CA-O 3.29Å; D359-I364 HydrophobicContact CB-CB 4.32Å; D359-I364 PolarHBondContact N-O 2.74Å; D359-I364 PolarHBondContact O-N 2.91Å; N362-I364 HydrophobicContact CB-CD1 3.63Å; N362-I364 HydrophobicContact CB-CG1 3.78Å; N362-I364 PolarHBondContact O-N 3.24Å; I364-L366 PolarHBondContact O-N 2.94Å
365I94.5Very high90.5Very high0 Ų020.3 Ų20.30%012%0.119CC..EExtended strand (participates in β ladder)trans-78.3103.7170.9-55.5-176000108.6A8 P29 F30 L249 F253 A356 V358 F367 I368A8-I365 HydrophobicContact CB-CD1 3.79Å; P29-I365 HydrophobicContact CG-CB 4.39Å; P29-I365 HydrophobicContact CG-CG2 4.05Å; P29-I365 WeakPolarHBondContact CG-O 3.47Å; F30-I365 WeakPolarHBondContact CB-O 3.45Å; L249-I365 HydrophobicContact CD2-CD1 3.65Å; F253-I365 HydrophobicContact CE2-CD1 4.16Å; F253-I365 HydrophobicContact CE2-CG1 4.5Å; A356-I365 HydrophobicContact CB-CG2 4.38Å; V358-I365 HydrophobicContact CG2-CG1 4.35Å; I365-F367 VanDerWaalsContact CG2-O 3.3Å; I365-F367 WeakPolarHBondContact CG2-O 3.48Å; I365-I368 HydrophobicContact CG2-CB 3.95Å
366L93.1Very high88.6Confident0 Ų025.3 Ų25.30%016%0.16CC..EExtended strand (participates in β ladder)trans-75.8-43.8179.1-173.664.2000111.1S28 F30 F76 L87 I165 F167 I357 I364S28-L366 VanDerWaalsContact CA-O 3.25Å; S28-L366 WeakPolarHBondContact CA-O 3.4Å; S28-L366 WeakPolarHBondContact CB-O 3.11Å; S28-L366 PolarHBondContact OG-O 3.16Å; F30-L366 HydrophobicContact CD1-CD1 3.89Å; F76-L366 HydrophobicContact CD1-CD1 4.37Å; F76-L366 HydrophobicContact CE1-CB 4.48Å; F76-L366 HydrophobicContact CE1-CD1 4Å; F76-L366 HydrophobicContact CE1-CD2 4.06Å; F76-L366 HydrophobicContact CE1-CG 4.4Å; F76-L366 HydrophobicContact CZ-CD1 4.18Å; L87-L366 HydrophobicContact CD1-CD2 4.15Å; L87-L366 HydrophobicContact CD2-CD2 4.23Å; I165-L366 HydrophobicContact CD1-CD1 3.82Å; I165-L366 HydrophobicContact CD1-CG 4.27Å; F167-L366 HydrophobicContact CD2-CD2 4.02Å; F167-L366 HydrophobicContact CE2-CD2 4.35Å; I357-L366 HydrophobicContact CG2-CB 4.35Å; I357-L366 HydrophobicContact CG2-CD2 4.41Å; I357-L366 PolarHBondContact O-N 3.01Å; I364-L366 PolarHBondContact O-N 2.94Å
367F94.9Very high88.2Confident0 Ų026.5 Ų26.50%017%0.168CC..EExtended strand (participates in β ladder)trans-133.9148.5173.9-67.7-93.8000110.1F26 M27 I165 F167 A314 A356 I357 I365F26-F367 HydrophobicContact CD2-CD1 4.15Å; F26-F367 HydrophobicContact CE2-CD1 4.34Å; F26-F367 HydrophobicContact CE2-CE1 4.44Å; M27-F367 WeakPolarHBondContact O-CA 3.49Å; I165-F367 HydrophobicContact CB-CZ 4.39Å; I165-F367 HydrophobicContact CD1-CE1 4.34Å; I165-F367 HydrophobicContact CD1-CE2 3.84Å; I165-F367 HydrophobicContact CD1-CZ 3.59Å; I165-F367 HydrophobicContact CG1-CE1 4.42Å; I165-F367 HydrophobicContact CG1-CE2 4.32Å; I165-F367 HydrophobicContact CG1-CZ 3.67Å; I165-F367 HydrophobicContact CG2-CE1 3.84Å; I165-F367 HydrophobicContact CG2-CZ 3.97Å; F167-F367 HydrophobicContact CB-CD2 4.32Å; F167-F367 HydrophobicContact CB-CE2 3.32Å; F167-F367 HydrophobicContact CB-CZ 3.53Å; F167-F367 HydrophobicContact CD2-CE2 4.3Å; F167-F367 AromaticContact CG-CE2 3.88Å; F167-F367 HydrophobicContact CG-CE2 3.88Å; A314-F367 HydrophobicContact CB-CE1 4.13Å; A356-F367 CarbonylContact C-O 3.54Å; A356-F367 WeakPolarHBondContact CA-O 3.38Å; A356-F367 WeakPolarHBondContact CB-O 3.07Å; I357-F367 HydrophobicContact CB-CB 4.23Å; I357-F367 HydrophobicContact CB-CD2 4.24Å; I357-F367 HydrophobicContact CD1-CB 4.25Å; I357-F367 HydrophobicContact CD1-CD2 3.79Å; I357-F367 HydrophobicContact CD1-CG 4.27Å; I357-F367 HydrophobicContact CG1-CB 4.4Å; I357-F367 PolarHBondContact N-O 2.71Å; I357-F367 PolarHBondContact O-N 2.82Å; I365-F367 VanDerWaalsContact CG2-O 3.3Å; I365-F367 WeakPolarHBondContact CG2-O 3.48Å
368I96.7Very high87.8Confident0 Ų027.9 Ų27.90%018%0.177CC..EExtended strand (participates in β ladder)trans-143.5144.3170-165.2167.3000109.4A11 L12 F26 M27 P29 L249 L354 F355 A356 I365A11-I368 HydrophobicContact CB-CD1 4.49Å; A11-I368 HydrophobicContact CB-CG2 4.25Å; L12-I368 HydrophobicContact CD2-CD1 4.44Å; F26-I368 VanDerWaalsContact CA-O 3.27Å; F26-I368 WeakPolarHBondContact CA-O 3.31Å; M27-I368 HydrophobicContact CE-CG2 3.76Å; M27-I368 HydrophobicContact CG-CG2 4.24Å; M27-I368 PolarHBondContact N-O 2.95Å; M27-I368 PolarHBondContact O-N 2.64Å; P29-I368 HydrophobicContact CG-CG2 4.12Å; L249-I368 HydrophobicContact CD2-CD1 3.97Å; L354-I368 HydrophobicContact CD1-CD1 4.13Å; L354-I368 HydrophobicContact CD1-CG1 3.75Å; F355-I368 WeakPolarHBondContact O-CA 3.4Å; A356-I368 HydrophobicContact CB-CG1 4.39Å; I365-I368 HydrophobicContact CG2-CB 3.95Å
369G95.6Very high87.4Confident0 Ų029.2 Ų29.20%019%0.185CC..EExtended strand (participates in β ladder)trans-173178.4177.700000113.2F25 L354 F355F25-G369 CarbonylContact O-C 3.32Å; F25-G369 WeakPolarHBondContact O-CA 3.24Å; L354-G369 WeakPolarHBondContact CA-O 3.41Å; L354-G369 WeakPolarHBondContact CD1-O 3.41Å; F355-G369 WeakPolarHBondContact CD1-O 3.21Å; F355-G369 PolarHBondContact N-O 3.33Å; F355-G369 PolarHBondContact O-N 2.99Å
370D95.8Very high87.1Confident1 Ų130.9 Ų30.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-122.6155.6169.952.726.5000111.1Y15 S24 F25 L237 F353 Y372Y15-D370 WeakPolarHBondContact CE2-OD2 3.48Å; Y15-D370 PolarHBondContact OH-OD2 3.16Å; S24-D370 WeakPolarHBondContact CA-O 3.31Å; F25-D370 PolarHBondContact N-O 3.41Å; F25-D370 PolarHBondContact N-OD1 3.23Å; F25-D370 PolarHBondContact O-N 2.8Å; L237-D370 HydrophobicContact CD2-CB 3.75Å; F353-D370 VanDerWaalsContact O-CA 3.29Å; F353-D370 WeakPolarHBondContact O-CA 3.32Å; D370-Y372 HydrophobicContact CB-CD2 4.36Å; D370-Y372 HydrophobicContact CB-CE2 4.08Å
371Y96Very high87.3Confident4 Ų426.7 Ų26.72%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-120.3123.1178-178.2-106.5000110.2F185 P266 F268 P352 F353 G373F185-Y371 HydrophobicContact CD2-CD1 4.5Å; F185-Y371 HydrophobicContact CD2-CE1 4.07Å; F185-Y371 HydrophobicContact CE1-CD1 4.45Å; F185-Y371 HydrophobicContact CE1-CE1 4.45Å; F185-Y371 AromaticContact CE2-CD1 3.68Å; F185-Y371 HydrophobicContact CE2-CD1 3.68Å; F185-Y371 AromaticContact CE2-CE1 3.7Å; F185-Y371 HydrophobicContact CE2-CE1 3.7Å; F185-Y371 AromaticContact CZ-CD1 3.63Å; F185-Y371 HydrophobicContact CZ-CD1 3.63Å; F185-Y371 AromaticContact CZ-CE1 3.89Å; F185-Y371 HydrophobicContact CZ-CE1 3.89Å; P266-Y371 HydrophobicContact CB-CE1 3.83Å; P266-Y371 HydrophobicContact CG-CD1 3.82Å; P266-Y371 HydrophobicContact CG-CE1 3.52Å; F268-Y371 HydrophobicContact CB-CD2 4.01Å; F268-Y371 HydrophobicContact CB-CE2 3.41Å; F268-Y371 VanDerWaalsContact CB-CE2 3.41Å; F268-Y371 HydrophobicContact CD1-CD2 4.13Å; F268-Y371 HydrophobicContact CD1-CE2 4.2Å; F268-Y371 HydrophobicContact CD1-CG 4.35Å; F268-Y371 HydrophobicContact CD2-CD2 4.21Å; F268-Y371 HydrophobicContact CD2-CE2 4.44Å; F268-Y371 AromaticContact CG-CD2 3.88Å; F268-Y371 HydrophobicContact CG-CD2 3.88Å; F268-Y371 AromaticContact CG-CE2 3.8Å; F268-Y371 HydrophobicContact CG-CE2 3.8Å; P352-Y371 VanDerWaalsContact CA-O 3.28Å; P352-Y371 WeakPolarHBondContact CA-O 3.44Å; F353-Y371 AromaticContact CE1-CD1 3.59Å; F353-Y371 HydrophobicContact CE1-CD1 3.59Å; F353-Y371 HydrophobicContact CE1-CG 4.21Å; F353-Y371 AromaticContact CZ-CD1 3.65Å; F353-Y371 HydrophobicContact CZ-CD1 3.65Å; F353-Y371 AromaticContact CZ-CG 3.88Å; F353-Y371 HydrophobicContact CZ-CG 3.88Å; F353-Y371 PolarHBondContact O-N 2.84Å; F353-Y371 VanDerWaalsContact O-N 3.1Å; Y371-G373 VanDerWaalsContact CE1-CA 3.42Å; Y371-G373 WeakPolarHBondContact OH-CA 3.39Å
372Y95.4Very high87.6Confident12 Ų1222.4 Ų22.45%0.04716%0.155CC..  trans-11635.4179.1-80-89.4000111.7N22 H23 S24 V187 L237 P352 D370 V374N22-Y372 HydrophobicContact CB-CD1 4.35Å; N22-Y372 HydrophobicContact CB-CE1 4.26Å; H23-Y372 WeakPolarHBondContact O-CD2 3.37Å; S24-Y372 PolarHBondContact OG-N 2.77Å; V187-Y372 WeakPolarHBondContact CG1-O 3.46Å; V187-Y372 WeakPolarHBondContact CG2-O 3.35Å; L237-Y372 HydrophobicContact CD2-CE2 3.89Å; P352-Y372 HydrophobicContact CB-CD1 3.71Å; P352-Y372 HydrophobicContact CB-CE1 3.54Å; P352-Y372 HydrophobicContact CB-CE2 4.49Å; P352-Y372 HydrophobicContact CB-CG 4.26Å; P352-Y372 HydrophobicContact CG-CD1 3.34Å; P352-Y372 HydrophobicContact CG-CE1 3.45Å; P352-Y372 VanDerWaalsContact CG-CE1 3.45Å; P352-Y372 HydrophobicContact CG-CG 4.18Å; D370-Y372 HydrophobicContact CB-CD2 4.36Å; D370-Y372 HydrophobicContact CB-CE2 4.08Å; Y372-V374 PolarHBondContact O-N 2.81Å
373G89.8Confident87.9Confident8 Ų819.1 Ų19.18%0.08214%0.14CC..SBendtrans76.81.9172.800000115.5F185 Y371F185-G373 VanDerWaalsContact CD1-CA 3.47Å; F185-G373 VanDerWaalsContact CE1-N 3.25Å; Y371-G373 VanDerWaalsContact CE1-CA 3.42Å; Y371-G373 WeakPolarHBondContact OH-CA 3.39Å
374V78.8Confident88.1Confident66 Ų6619.5 Ų19.540%0.414%0.14SC..  trans-113.9123.1178.6-175.80000109.3S24 K193 L270 Y372S24-V374 PolarHBondContact OG-O 3.33Å; S24-V374 VanDerWaalsContact OG-O 3.14Å; K193-V374 HydrophobicContact CD-CG2 3.88Å; L270-V374 WeakPolarHBondContact CD2-O 3.11Å; Y372-V374 PolarHBondContact O-N 2.81Å
375S65Low87.8Confident58 Ų5821.2 Ų21.241%0.40615%0.152SC..  trans-84.2148.6166.3-175.70000109.5K269K269-S375 PolarHBondContact N-OG 3.1Å; K269-S375 CarbonylContact O-C 3.55Å; K269-S375 WeakPolarHBondContact O-CA 3.36Å; K269-S375 PolarHBondContact O-OG 3.3Å
376A57.5Low87.1Confident105 Ų10523.1 Ų23.187%0.86817%0.166SC*.  trans-65.30169.300000111.9K269 E271K269-A376 PolarHBondContact O-N 2.9Å; E271-A376 HydrophobicContact CB-CB 4.1Å

Retrieved 376 of 376 residues in 2749.3 ms (Link to these results)

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