A0A077ZG26_TRITR Loading...

Serpin B6

AlphaFold DB , UniProt , Accession A0A077ZG26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 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
1M53.2Low80.9Confident127 Ų12730.3 Ų30.363%0.62617%0.169SC*.  01410-176.2171.5-83.300106V5 E57M1-V5 HydrophobicContact CE-CG1 3.88Å; M1-V5 HydrophobicContact CG-CB 3.55Å; M1-V5 HydrophobicContact CG-CG1 3.51Å; M1-V5 HydrophobicContact SD-CB 4.14Å; M1-V5 HydrophobicContact SD-CG1 3.62Å; M1-E57 HydrophobicContact CB-CG 4.47Å; M1-E57 PolarHBondContact N-OE1 2.93Å
2S69.7Low81.5Confident62 Ų6229.5 Ų29.543%0.43416%0.164SC..  trans-74.5156173.249.70000109.4D4 V5 S6S2-D4 VanDerWaalsContact C-N 3.33Å; S2-D4 WeakPolarHBondContact CB-OD1 3.14Å; S2-D4 PolarHBondContact O-N 3.05Å; S2-D4 PolarHBondContact OG-OD1 3.06Å; S2-V5 PolarHBondContact O-N 2.79Å; S2-V5 VanDerWaalsContact O-N 3.12Å; S2-V5 VanDerWaalsContact OG-CG2 3.27Å; S2-V5 WeakPolarHBondContact OG-CG2 3.44Å; S2-S6 PolarHBondContact O-N 3.02Å
3L72.6Confident82.1Confident42 Ų4232.4 Ų32.422%0.2217%0.171CC..Hα-helixtrans-57.5-46.7-175.4170.268.6000112.8V5 S6 T7 L68L3-V5 PolarHBondContact O-N 3.22Å; L3-S6 CarbonylContact O-C 3.46Å; L3-S6 WeakPolarHBondContact O-CA 3.37Å; L3-S6 WeakPolarHBondContact O-CB 3.49Å; L3-S6 PolarHBondContact O-N 2.98Å; L3-T7 HydrophobicContact CD1-CG2 3.78Å; L3-T7 HydrophobicContact CG-CG2 4.07Å; L3-T7 PolarHBondContact O-N 2.92Å; L3-T7 PolarHBondContact O-OG1 3.14Å; L3-L68 HydrophobicContact CB-CD2 4.46Å; L3-L68 HydrophobicContact CD1-CD2 3.19Å; L3-L68 HydrophobicContact CD1-CG 4.42Å; L3-L68 HydrophobicContact CD2-CD1 3.1Å; L3-L68 HydrophobicContact CD2-CD2 3.12Å; L3-L68 HydrophobicContact CD2-CG 3.48Å; L3-L68 VanDerWaalsContact CD2-CG 3.48Å; L3-L68 HydrophobicContact CG-CD1 4.41Å; L3-L68 HydrophobicContact CG-CD2 3.63Å; L3-L68 HydrophobicContact CG-CG 4.48Å
4D80.7Confident82.5Confident19 Ų1930.1 Ų30.110%0.10216%0.159CC..Hα-helixtrans-51.2-42.2176.252.1-4.1000111.7S2 T7 A8 L250 R363S2-D4 VanDerWaalsContact C-N 3.33Å; S2-D4 WeakPolarHBondContact CB-OD1 3.14Å; S2-D4 PolarHBondContact O-N 3.05Å; S2-D4 PolarHBondContact OG-OD1 3.06Å; D4-T7 PolarHBondContact O-N 3.15Å; D4-T7 PolarHBondContact O-OG1 3.13Å; D4-A8 WeakPolarHBondContact O-CB 3.27Å; D4-A8 PolarHBondContact O-N 2.65Å; D4-L250 HydrophobicContact CB-CD1 4.22Å; D4-R363 HydrophobicContact CB-CB 3.56Å; D4-R363 VanDerWaalsContact OD2-CD 3.26Å; D4-R363 WeakPolarHBondContact OD2-CD 3.39Å; D4-R363 IonicContact OD2-CZ 3.72Å; D4-R363 IonicContact OD2-NE 2.92Å; D4-R363 PolarHBondContact OD2-NE 3.29Å; D4-R363 IonicContact OD2-NH1 2.75Å; D4-R363 PolarHBondContact OD2-NH1 2.85Å
5V84Confident82.7Confident18 Ų1828.3 Ų28.311%0.10915%0.149CC..Hα-helixtrans-68.2-39.1174.3-176.40000110.7M1 S2 L3 D9 A246 K247 L250M1-V5 HydrophobicContact CE-CG1 3.88Å; M1-V5 HydrophobicContact CG-CB 3.55Å; M1-V5 HydrophobicContact CG-CG1 3.51Å; M1-V5 HydrophobicContact SD-CB 4.14Å; M1-V5 HydrophobicContact SD-CG1 3.62Å; S2-V5 PolarHBondContact O-N 2.79Å; S2-V5 VanDerWaalsContact O-N 3.12Å; S2-V5 VanDerWaalsContact OG-CG2 3.27Å; S2-V5 WeakPolarHBondContact OG-CG2 3.44Å; L3-V5 PolarHBondContact O-N 3.22Å; V5-D9 WeakPolarHBondContact O-CB 3.48Å; V5-D9 PolarHBondContact O-N 3.43Å; V5-A246 HydrophobicContact CG1-CB 3.92Å; V5-A246 WeakPolarHBondContact O-CB 3.27Å; V5-K247 HydrophobicContact CG1-CB 4.5Å; V5-L250 HydrophobicContact CB-CD1 4.41Å; V5-L250 HydrophobicContact CG2-CD1 3.87Å
6S84.1Confident82.8Confident6 Ų633.3 Ų33.34%0.04217%0.171CC..Hα-helixtrans-65.5-39.4176.2-1760000112.8S2 L3 D9 F10 E57S2-S6 PolarHBondContact O-N 3.02Å; L3-S6 CarbonylContact O-C 3.46Å; L3-S6 WeakPolarHBondContact O-CA 3.37Å; L3-S6 WeakPolarHBondContact O-CB 3.49Å; L3-S6 PolarHBondContact O-N 2.98Å; S6-D9 PolarHBondContact O-N 3.47Å; S6-F10 PolarHBondContact O-N 3.08Å; S6-E57 PolarHBondContact OG-N 3.4Å
7T86.6Confident82.8Confident10 Ų1033.4 Ų33.46%0.06117%0.171CC..Hα-helixtrans-74.9-36.3178.256.30000111.1L3 D4 D9 F10 A11 L33L3-T7 HydrophobicContact CD1-CG2 3.78Å; L3-T7 HydrophobicContact CG-CG2 4.07Å; L3-T7 PolarHBondContact O-N 2.92Å; L3-T7 PolarHBondContact O-OG1 3.14Å; D4-T7 PolarHBondContact O-N 3.15Å; D4-T7 PolarHBondContact O-OG1 3.13Å; T7-D9 VanDerWaalsContact C-N 3.34Å; T7-F10 PolarHBondContact O-N 3Å; T7-A11 WeakPolarHBondContact O-CB 3.17Å; T7-A11 PolarHBondContact O-N 3.2Å; T7-L33 HydrophobicContact CG2-CD2 3.79Å
8A89.8Confident82.7Confident0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-66.9-34.4171.100000112.4D4 A11 L12 A246 L250 I365D4-A8 WeakPolarHBondContact O-CB 3.27Å; D4-A8 PolarHBondContact O-N 2.65Å; A8-A11 WeakPolarHBondContact O-CB 3.33Å; A8-A11 PolarHBondContact O-N 3.32Å; A8-L12 PolarHBondContact O-N 3.28Å; A8-A246 HydrophobicContact CB-CB 3.95Å; A8-L250 HydrophobicContact CB-CD1 3.96Å; A8-L250 HydrophobicContact CB-CD2 4.18Å; A8-L250 HydrophobicContact CB-CG 4.01Å; A8-I365 HydrophobicContact CB-CD1 3.93Å
9D89.5Confident82.2Confident47 Ų4730.8 Ų30.825%0.25116%0.16SC..Hα-helixtrans-67.2-47173.5178.573.1000111.3V5 S6 T7 A11 L12 R13 A246V5-D9 WeakPolarHBondContact O-CB 3.48Å; V5-D9 PolarHBondContact O-N 3.43Å; S6-D9 PolarHBondContact O-N 3.47Å; T7-D9 VanDerWaalsContact C-N 3.34Å; D9-A11 PolarHBondContact O-N 2.72Å; D9-L12 PolarHBondContact O-N 3.13Å; D9-R13 WeakPolarHBondContact O-CB 3.37Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.92Å; D9-R13 IonicContact OD1-NE 2.88Å; D9-R13 IonicContact OD2-CZ 2.75Å; D9-R13 IonicContact OD2-NE 2.95Å; D9-R13 PolarHBondContact OD2-NE 3.49Å; D9-R13 IonicContact OD2-NH2 3.55Å; D9-R13 PolarHBondContact OD2-NH2 3.16Å; D9-A246 HydrophobicContact CB-CB 3.67Å; D9-A246 VanDerWaalsContact N-CB 3.31Å
10F89.4Confident81.6Confident1 Ų132.8 Ų32.80%0.00417%0.173CC..Hα-helixtrans-56.7-41.3170.5176.3-101.4000111.4S6 T7 T14 P29 I32 L33 L36 L55 L283S6-F10 PolarHBondContact O-N 3.08Å; T7-F10 PolarHBondContact O-N 3Å; F10-T14 VanDerWaalsContact CE2-OG1 3.22Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.33Å; F10-T14 HydrophobicContact CZ-CG2 4.45Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.4Å; F10-T14 WeakPolarHBondContact O-CB 3.47Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3Å; F10-P29 WeakPolarHBondContact CE1-O 3.4Å; F10-I32 HydrophobicContact CE1-CG2 4.33Å; F10-I32 HydrophobicContact CZ-CG2 4Å; F10-L33 HydrophobicContact CD1-CB 3.94Å; F10-L33 HydrophobicContact CD1-CD1 4.03Å; F10-L33 HydrophobicContact CD1-CD2 4.41Å; F10-L33 HydrophobicContact CD1-CG 4.34Å; F10-L33 HydrophobicContact CE1-CB 3.7Å; F10-L33 HydrophobicContact CE1-CD1 4.13Å; F10-L33 HydrophobicContact CE1-CG 4.44Å; F10-L33 HydrophobicContact CG-CD1 4.24Å; F10-L33 HydrophobicContact CZ-CD1 4.44Å; F10-L36 HydrophobicContact CE2-CD1 4.27Å; F10-L36 HydrophobicContact CZ-CD1 3.85Å; F10-L55 HydrophobicContact CD2-CD2 3.98Å; F10-L55 HydrophobicContact CE2-CD2 3.39Å; F10-L55 HydrophobicContact CZ-CD2 3.98Å; F10-L283 HydrophobicContact CE2-CD1 4.38Å
11A90.4Very high80.6Confident1 Ų132.3 Ų32.31%0.00817%0.174CC..Hα-helixtrans-60.3-51.7178.500000112.5T7 A8 D9 T14 Y15 P29 I365T7-A11 WeakPolarHBondContact O-CB 3.17Å; T7-A11 PolarHBondContact O-N 3.2Å; A8-A11 WeakPolarHBondContact O-CB 3.33Å; A8-A11 PolarHBondContact O-N 3.32Å; D9-A11 PolarHBondContact O-N 2.72Å; A11-T14 PolarHBondContact O-N 3.38Å; A11-Y15 WeakPolarHBondContact O-CB 3.32Å; A11-Y15 PolarHBondContact O-N 3.4Å; A11-P29 VanDerWaalsContact CA-CB 3.49Å; A11-P29 HydrophobicContact CB-CB 3.56Å; A11-P29 HydrophobicContact CB-CG 3.67Å; A11-I365 HydrophobicContact CB-CB 4.38Å; A11-I365 HydrophobicContact CB-CD1 4.25Å
12L88.5Confident81Confident21 Ų2129.3 Ų29.311%0.1116%0.161CC..Hα-helixtrans-66.9-40.9180-75.7178.5000112.8A8 D9 Y15 H16 L244 L249 I368A8-L12 PolarHBondContact O-N 3.28Å; D9-L12 PolarHBondContact O-N 3.13Å; L12-Y15 PolarHBondContact O-N 3.28Å; L12-H16 WeakPolarHBondContact O-CB 3.43Å; L12-H16 PolarHBondContact O-N 3.25Å; L12-L244 HydrophobicContact CD1-CG 4.37Å; L12-L244 HydrophobicContact CD2-CD2 4.21Å; L12-L249 HydrophobicContact CD1-CB 4.31Å; L12-L249 HydrophobicContact CD1-CD2 4.05Å; L12-L249 HydrophobicContact CD2-CD2 3.91Å; L12-L249 HydrophobicContact CG-CD2 4.02Å; L12-I368 HydrophobicContact CD2-CD1 3.98Å
13R88.2Confident80.4Confident67 Ų6734.8 Ų34.825%0.25317%0.172SC..Hα-helixtrans-64-46176.1-73.9-169.3-74.1115.8-0.8111.5D9 Y15 H16 E17 K54 L283D9-R13 WeakPolarHBondContact O-CB 3.37Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.92Å; D9-R13 IonicContact OD1-NE 2.88Å; D9-R13 IonicContact OD2-CZ 2.75Å; D9-R13 IonicContact OD2-NE 2.95Å; D9-R13 PolarHBondContact OD2-NE 3.49Å; D9-R13 IonicContact OD2-NH2 3.55Å; D9-R13 PolarHBondContact OD2-NH2 3.16Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-Y15 PolarHBondContact O-N 2.91Å; R13-H16 PolarHBondContact O-N 3.07Å; R13-E17 PolarHBondContact O-N 3.22Å; R13-K54 PolarHBondContact NH1-O 2.94Å; R13-K54 PolarHBondContact NH2-O 3.06Å; R13-L283 HydrophobicContact CB-CD2 3.75Å
14T88Confident79.7Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-64.4-41178.1-55.50000111.2F10 A11 E17 A18 I27 I32 V279 L283F10-T14 VanDerWaalsContact CE2-OG1 3.22Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.33Å; F10-T14 HydrophobicContact CZ-CG2 4.45Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.4Å; F10-T14 WeakPolarHBondContact O-CB 3.47Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3Å; A11-T14 PolarHBondContact O-N 3.38Å; T14-E17 PolarHBondContact O-N 3.19Å; T14-A18 VanDerWaalsContact O-CB 3.27Å; T14-A18 WeakPolarHBondContact O-CB 3.43Å; T14-A18 PolarHBondContact O-N 3.14Å; T14-I27 HydrophobicContact CG2-CD1 4.01Å; T14-I32 HydrophobicContact CG2-CD1 4.1Å; T14-V279 HydrophobicContact CG2-CG1 4.25Å; T14-L283 HydrophobicContact CG2-CD1 4.46Å
15Y85.8Confident79.1Confident4 Ų435.4 Ų35.42%0.01618%0.181CC..Hα-helixtrans-58.6-49.8173.7-172.5-104.8000111.1A11 L12 R13 E17 A18 A19 F25 I27 M241 I368 D369 L370A11-Y15 WeakPolarHBondContact O-CB 3.32Å; A11-Y15 PolarHBondContact O-N 3.4Å; L12-Y15 PolarHBondContact O-N 3.28Å; R13-Y15 VanDerWaalsContact C-N 3.33Å; R13-Y15 PolarHBondContact O-N 2.91Å; Y15-E17 PolarHBondContact O-N 3.23Å; Y15-A18 PolarHBondContact O-N 3.48Å; Y15-A19 PolarHBondContact O-N 2.81Å; Y15-F25 HydrophobicContact CD1-CD2 4.4Å; Y15-F25 AromaticContact CD1-CE2 3.54Å; Y15-F25 HydrophobicContact CD1-CE2 3.54Å; Y15-F25 HydrophobicContact CD1-CZ 4.32Å; Y15-F25 AromaticContact CD2-CD2 3.4Å; Y15-F25 HydrophobicContact CD2-CD2 3.4Å; Y15-F25 VanDerWaalsContact CD2-CD2 3.4Å; Y15-F25 AromaticContact CD2-CE2 3.36Å; Y15-F25 HydrophobicContact CD2-CE2 3.36Å; Y15-F25 HydrophobicContact CE1-CD2 4.21Å; Y15-F25 AromaticContact CE1-CE2 3.2Å; Y15-F25 HydrophobicContact CE1-CE2 3.2Å; Y15-F25 AromaticContact CE1-CZ 3.64Å; Y15-F25 HydrophobicContact CE1-CZ 3.64Å; Y15-F25 AromaticContact CE2-CD2 3.16Å; Y15-F25 HydrophobicContact CE2-CD2 3.16Å; Y15-F25 AromaticContact CE2-CE2 3.02Å; Y15-F25 HydrophobicContact CE2-CE2 3.02Å; Y15-F25 HydrophobicContact CE2-CG 4.24Å; Y15-F25 AromaticContact CE2-CZ 3.91Å; Y15-F25 HydrophobicContact CE2-CZ 3.91Å; Y15-F25 WeakPolarHBondContact CE2-O 3.41Å; Y15-F25 HydrophobicContact CG-CD2 4Å; Y15-F25 AromaticContact CG-CE2 3.59Å; Y15-F25 HydrophobicContact CG-CE2 3.59Å; Y15-F25 AromaticContact CZ-CD2 3.58Å; Y15-F25 AromaticContact CZ-CE2 2.89Å; Y15-F25 AromaticContact CZ-CZ 3.36Å; Y15-F25 VanDerWaalsContact O-CD2 3.29Å; Y15-F25 WeakPolarHBondContact O-CD2 3.46Å; Y15-F25 WeakPolarHBondContact O-CE2 3.42Å; Y15-F25 WeakPolarHBondContact OH-CE2 3.5Å; Y15-F25 WeakPolarHBondContact OH-CZ 3.5Å; Y15-I27 HydrophobicContact CD2-CD1 4.12Å; Y15-I27 HydrophobicContact CD2-CG1 4.06Å; Y15-M241 HydrophobicContact CD1-CE 4.03Å; Y15-M241 HydrophobicContact CE1-CE 3.94Å; Y15-I368 HydrophobicContact CD2-CG2 3.7Å; Y15-I368 HydrophobicContact CE2-CG2 4.39Å; Y15-I368 HydrophobicContact CG-CG2 4.18Å; Y15-D369 HydrophobicContact CE2-CB 4.38Å; Y15-D369 PolarHBondContact OH-OD1 3.38Å; Y15-L370 HydrophobicContact CE1-CD1 3.67Å; Y15-L370 HydrophobicContact CE1-CG 3.78Å; Y15-L370 VanDerWaalsContact OH-CB 3.29Å; Y15-L370 WeakPolarHBondContact OH-CB 3.33Å; Y15-L370 WeakPolarHBondContact OH-CD1 3.45Å; Y15-L370 WeakPolarHBondContact OH-CG 3.5Å; Y15-L370 PolarHBondContact OH-N 3.27Å
16H83.6Confident78.9Confident108 Ų10834.7 Ų34.750%0.518%0.176SC..Hα-helixtrans-57.9-48.3177.7-178.8-90.8000112.3L12 R13 A18 A19 V20L12-H16 WeakPolarHBondContact O-CB 3.43Å; L12-H16 PolarHBondContact O-N 3.25Å; R13-H16 PolarHBondContact O-N 3.07Å; H16-A18 PolarHBondContact O-N 2.9Å; H16-A19 WeakPolarHBondContact O-CB 3.41Å; H16-A19 PolarHBondContact O-N 3.15Å; H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.28Å
17E82.9Confident79.1Confident35 Ų3534.4 Ų34.416%0.16417%0.174CC..Hα-helixtrans-69.9-31.6-179.7-65.2-44.8130.300113.1R13 T14 Y15 A19 V20 A21 V279 R282 L283R13-E17 PolarHBondContact O-N 3.22Å; T14-E17 PolarHBondContact O-N 3.19Å; Y15-E17 PolarHBondContact O-N 3.23Å; E17-A19 VanDerWaalsContact C-N 3.33Å; E17-V20 PolarHBondContact O-N 2.93Å; E17-A21 VanDerWaalsContact O-CB 3.31Å; E17-A21 WeakPolarHBondContact O-CB 3.26Å; E17-A21 PolarHBondContact O-N 3.39Å; E17-V279 HydrophobicContact CB-CG1 3.78Å; E17-R282 HydrophobicContact CB-CB 4.28Å; E17-R282 HydrophobicContact CG-CB 4.07Å; E17-R282 WeakPolarHBondContact OE2-CB 3.44Å; E17-R282 WeakPolarHBondContact OE2-CD 3.48Å; E17-L283 HydrophobicContact CB-CD2 4.27Å; E17-L283 HydrophobicContact CB-CG 4.21Å; E17-L283 HydrophobicContact CG-CD2 3.56Å; E17-L283 HydrophobicContact CG-CG 3.84Å
18A80.9Confident79.3Confident0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-64.7-39.4170.800000111.4T14 Y15 H16 V20 A21 D22 F25 I27 L274 V279T14-A18 VanDerWaalsContact O-CB 3.27Å; T14-A18 WeakPolarHBondContact O-CB 3.43Å; T14-A18 PolarHBondContact O-N 3.14Å; Y15-A18 PolarHBondContact O-N 3.48Å; H16-A18 PolarHBondContact O-N 2.9Å; A18-V20 VanDerWaalsContact C-N 3.27Å; A18-V20 PolarHBondContact O-N 3.24Å; A18-A21 PolarHBondContact O-N 2.88Å; A18-D22 PolarHBondContact O-N 3.35Å; A18-F25 HydrophobicContact CB-CB 3.81Å; A18-F25 HydrophobicContact CB-CD2 3.94Å; A18-F25 HydrophobicContact CB-CG 4.13Å; A18-I27 HydrophobicContact CB-CG2 4.45Å; A18-L274 HydrophobicContact CB-CD2 3.97Å; A18-V279 HydrophobicContact CB-CG1 4.29Å; A18-V279 HydrophobicContact CB-CG2 4.2Å
19A74.7Confident79.4Confident18 Ų1834 Ų3415%0.14917%0.171CC..Hα-helixtrans-55.6-43.6174.100000112.8Y15 H16 E17 R23 F25Y15-A19 PolarHBondContact O-N 2.81Å; H16-A19 WeakPolarHBondContact O-CB 3.41Å; H16-A19 PolarHBondContact O-N 3.15Å; E17-A19 VanDerWaalsContact C-N 3.33Å; A19-R23 WeakPolarHBondContact O-CA 3.2Å; A19-R23 PolarHBondContact O-N 3.47Å; A19-F25 VanDerWaalsContact CA-CD1 3.43Å; A19-F25 VanDerWaalsContact CA-CZ 3.48Å; A19-F25 HydrophobicContact CB-CD1 4Å; A19-F25 HydrophobicContact CB-CD2 4.14Å; A19-F25 HydrophobicContact CB-CE1 3.35Å; A19-F25 HydrophobicContact CB-CE2 3.38Å; A19-F25 HydrophobicContact CB-CG 4.42Å; A19-F25 HydrophobicContact CB-CZ 3.02Å
20V69.5Low79.3Confident69 Ų6932 Ų3242%0.41816%0.161SC..Hα-helixtrans-75.2-39.2-178.21780000110.8H16 E17 A18H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.28Å; E17-V20 PolarHBondContact O-N 2.93Å; A18-V20 VanDerWaalsContact C-N 3.27Å; A18-V20 PolarHBondContact O-N 3.24Å
21A61.3Low79.3Confident23 Ų2332 Ų3219%0.1916%0.16CC..Hα-helixtrans-77.1-49.7-175.100000113.7E17 A18 Q278 V279E17-A21 VanDerWaalsContact O-CB 3.31Å; E17-A21 WeakPolarHBondContact O-CB 3.26Å; E17-A21 PolarHBondContact O-N 3.39Å; A18-A21 PolarHBondContact O-N 2.88Å; A21-Q278 HydrophobicContact CB-CB 4.47Å; A21-V279 HydrophobicContact CB-CG2 3.72Å
22D61.4Low79.4Confident64 Ų6432 Ų3234%0.34216%0.16SC..Hα-helixtrans-114.5-1.4-167.7-148.2-3.1000114A18 S24 H272 L274A18-D22 PolarHBondContact O-N 3.35Å; D22-S24 PolarHBondContact O-N 3.44Å; D22-H272 IonicContact OD2-CE1 2.64Å; D22-H272 IonicContact OD2-NE2 3.04Å; D22-L274 HydrophobicContact CB-CD1 3.58Å; D22-L274 VanDerWaalsContact OD2-CD1 3.3Å; D22-L274 WeakPolarHBondContact OD2-CD1 3.39Å
23R57.5Low79.5Confident178 Ų17831 Ų3167%0.67216%0.155SC*.SBendtrans63.7-27.3175.5-49.8177.2-180-175.8-0.4115.4A19A19-R23 WeakPolarHBondContact O-CA 3.2Å; A19-R23 PolarHBondContact O-N 3.47Å
24S56.5Low79.5Confident68 Ų6828 Ų2848%0.47614%0.144SC..  trans-123135.2170.4-179.10000107.9D22 H272D22-S24 PolarHBondContact O-N 3.44Å; S24-H272 PolarHBondContact O-CE1 3.15Å; S24-H272 PolarHBondContact O-NE2 3.45Å
25F69.1Low79.6Confident6 Ų628 Ų283%0.02614%0.144CC..  trans-165.586.7-169.356.5-66.5000111.8Y15 A18 A19 I27 D369Y15-F25 HydrophobicContact CD1-CD2 4.4Å; Y15-F25 AromaticContact CD1-CE2 3.54Å; Y15-F25 HydrophobicContact CD1-CE2 3.54Å; Y15-F25 HydrophobicContact CD1-CZ 4.32Å; Y15-F25 AromaticContact CD2-CD2 3.4Å; Y15-F25 HydrophobicContact CD2-CD2 3.4Å; Y15-F25 VanDerWaalsContact CD2-CD2 3.4Å; Y15-F25 AromaticContact CD2-CE2 3.36Å; Y15-F25 HydrophobicContact CD2-CE2 3.36Å; Y15-F25 HydrophobicContact CE1-CD2 4.21Å; Y15-F25 AromaticContact CE1-CE2 3.2Å; Y15-F25 HydrophobicContact CE1-CE2 3.2Å; Y15-F25 AromaticContact CE1-CZ 3.64Å; Y15-F25 HydrophobicContact CE1-CZ 3.64Å; Y15-F25 AromaticContact CE2-CD2 3.16Å; Y15-F25 HydrophobicContact CE2-CD2 3.16Å; Y15-F25 AromaticContact CE2-CE2 3.02Å; Y15-F25 HydrophobicContact CE2-CE2 3.02Å; Y15-F25 HydrophobicContact CE2-CG 4.24Å; Y15-F25 AromaticContact CE2-CZ 3.91Å; Y15-F25 HydrophobicContact CE2-CZ 3.91Å; Y15-F25 WeakPolarHBondContact CE2-O 3.41Å; Y15-F25 HydrophobicContact CG-CD2 4Å; Y15-F25 AromaticContact CG-CE2 3.59Å; Y15-F25 HydrophobicContact CG-CE2 3.59Å; Y15-F25 AromaticContact CZ-CD2 3.58Å; Y15-F25 AromaticContact CZ-CE2 2.89Å; Y15-F25 AromaticContact CZ-CZ 3.36Å; Y15-F25 VanDerWaalsContact O-CD2 3.29Å; Y15-F25 WeakPolarHBondContact O-CD2 3.46Å; Y15-F25 WeakPolarHBondContact O-CE2 3.42Å; Y15-F25 WeakPolarHBondContact OH-CE2 3.5Å; Y15-F25 WeakPolarHBondContact OH-CZ 3.5Å; A18-F25 HydrophobicContact CB-CB 3.81Å; A18-F25 HydrophobicContact CB-CD2 3.94Å; A18-F25 HydrophobicContact CB-CG 4.13Å; A19-F25 VanDerWaalsContact CA-CD1 3.43Å; A19-F25 VanDerWaalsContact CA-CZ 3.48Å; A19-F25 HydrophobicContact CB-CD1 4Å; A19-F25 HydrophobicContact CB-CD2 4.14Å; A19-F25 HydrophobicContact CB-CE1 3.35Å; A19-F25 HydrophobicContact CB-CE2 3.38Å; A19-F25 HydrophobicContact CB-CG 4.42Å; A19-F25 HydrophobicContact CB-CZ 3.02Å; F25-I27 HydrophobicContact CB-CG2 4.38Å; F25-D369 VanDerWaalsContact O-OD1 3.06Å
26F79.6Confident80.1Confident3 Ų327.8 Ų27.81%0.01314%0.143CC..  trans-87.2119.2157167.9-116.6000107.4L270 H272 A314 I316 F355 F367 D369F26-L270 HydrophobicContact CB-CB 4.23Å; F26-L270 HydrophobicContact CB-CD1 4.46Å; F26-L270 HydrophobicContact CD1-CB 4.07Å; F26-L270 HydrophobicContact CD2-CD1 4.14Å; F26-L270 HydrophobicContact CG-CB 4.02Å; F26-L270 HydrophobicContact CG-CD1 4.34Å; F26-H272 HydrophobicContact CB-CB 4.06Å; F26-A314 HydrophobicContact CD1-CB 3.6Å; F26-A314 VanDerWaalsContact CE1-C 3.46Å; F26-A314 HydrophobicContact CE1-CB 3.39Å; F26-A314 HydrophobicContact CZ-CB 4.2Å; F26-I316 HydrophobicContact CD1-CG2 4.33Å; F26-I316 HydrophobicContact CD2-CG2 4.22Å; F26-I316 HydrophobicContact CE1-CB 4.04Å; F26-I316 HydrophobicContact CE1-CG2 3.64Å; F26-I316 HydrophobicContact CE2-CB 4.19Å; F26-I316 HydrophobicContact CE2-CG2 3.52Å; F26-I316 HydrophobicContact CZ-CB 3.51Å; F26-I316 HydrophobicContact CZ-CG2 3.2Å; F26-F355 HydrophobicContact CD2-CZ 4.11Å; F26-F355 HydrophobicContact CE2-CE2 4.34Å; F26-F355 HydrophobicContact CE2-CZ 4.06Å; F26-F367 HydrophobicContact CE1-CD1 4.04Å; F26-F367 HydrophobicContact CE1-CE1 4.14Å; F26-F367 HydrophobicContact CE2-CB 3.9Å; F26-F367 AromaticContact CE2-CD1 3.56Å; F26-F367 HydrophobicContact CE2-CD1 3.56Å; F26-F367 HydrophobicContact CE2-CE1 4.42Å; F26-F367 HydrophobicContact CE2-CG 4.08Å; F26-F367 HydrophobicContact CZ-CB 4.28Å; F26-F367 AromaticContact CZ-CD1 3.12Å; F26-F367 HydrophobicContact CZ-CD1 3.12Å; F26-F367 AromaticContact CZ-CE1 3.56Å; F26-F367 HydrophobicContact CZ-CE1 3.56Å; F26-F367 AromaticContact CZ-CG 3.95Å; F26-F367 HydrophobicContact CZ-CG 3.95Å; F26-D369 HydrophobicContact CB-CB 4.41Å; F26-D369 HydrophobicContact CD2-CB 4.02Å
27I88.2Confident80.5Confident0 Ų022.7 Ų22.70%012%0.119CC..BIsolated β-bridgetrans-129.7156.3-177.164.7169.4000111.8T14 Y15 A18 F25 P29 I32 L274 H312 F367 I368T14-I27 HydrophobicContact CG2-CD1 4.01Å; Y15-I27 HydrophobicContact CD2-CD1 4.12Å; Y15-I27 HydrophobicContact CD2-CG1 4.06Å; A18-I27 HydrophobicContact CB-CG2 4.45Å; F25-I27 HydrophobicContact CB-CG2 4.38Å; I27-P29 HydrophobicContact CD1-CB 4.48Å; I27-P29 HydrophobicContact CD1-CG 3.9Å; I27-P29 HydrophobicContact CG1-CG 4.02Å; I27-P29 WeakPolarHBondContact O-CD 3.33Å; I27-I32 HydrophobicContact CB-CD1 4.21Å; I27-I32 HydrophobicContact CD1-CD1 4.46Å; I27-L274 HydrophobicContact CG2-CD2 3.63Å; I27-H312 WeakPolarHBondContact CA-NE2 3.26Å; I27-F367 WeakPolarHBondContact O-CA 3.4Å; I27-I368 HydrophobicContact CD1-CG2 4.46Å; I27-I368 HydrophobicContact CG1-CG2 4.02Å; I27-I368 PolarHBondContact O-N 2.96Å
28S90.7Very high80.9Confident0 Ų021 Ų210%011%0.112CC..  trans-106.297.4159.7177.80000109.9F30 S31 I32 I165 H312 L366S28-F30 VanDerWaalsContact C-N 3.29Å; S28-F30 PolarHBondContact O-N 2.88Å; S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 WeakPolarHBondContact OG-CB 3.49Å; S28-S31 PolarHBondContact OG-N 3.38Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.38Å; S28-I32 PolarHBondContact O-N 3.07Å; S28-I32 VanDerWaalsContact O-N 3.07Å; S28-I165 VanDerWaalsContact CB-CG2 3.43Å; S28-I165 WeakPolarHBondContact OG-CD1 3.41Å; S28-H312 PolarHBondContact N-NE2 3.04Å; S28-L366 WeakPolarHBondContact CA-O 3.45Å; S28-L366 WeakPolarHBondContact CB-O 3.32Å; S28-L366 PolarHBondContact OG-O 2.74Å
29P91.5Very high81.6Confident0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-64.9-36.8-177.6-14.526.6000112.1F10 A11 I27 S31 I32 L33 I368F10-P29 WeakPolarHBondContact CE1-O 3.4Å; A11-P29 VanDerWaalsContact CA-CB 3.49Å; A11-P29 HydrophobicContact CB-CB 3.56Å; A11-P29 HydrophobicContact CB-CG 3.67Å; I27-P29 HydrophobicContact CD1-CB 4.48Å; I27-P29 HydrophobicContact CD1-CG 3.9Å; I27-P29 HydrophobicContact CG1-CG 4.02Å; I27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-S31 VanDerWaalsContact C-N 3.34Å; P29-S31 PolarHBondContact O-N 3.2Å; P29-I32 PolarHBondContact O-N 3.12Å; P29-L33 WeakPolarHBondContact O-CB 3.31Å; P29-L33 PolarHBondContact O-N 3.06Å; P29-I368 HydrophobicContact CG-CG2 3.51Å
30F88.1Confident82.6Confident7 Ų720.3 Ų20.33%0.03111%0.105CC..Hα-helixtrans-65.1-38.7177.5-174.8-100.5000112.6S28 L33 I34 V72 L76 I364 L366S28-F30 VanDerWaalsContact C-N 3.29Å; S28-F30 PolarHBondContact O-N 2.88Å; F30-L33 HydrophobicContact CD2-CD2 4.34Å; F30-L33 HydrophobicContact CE2-CD2 4.47Å; F30-L33 WeakPolarHBondContact O-CB 3.35Å; F30-L33 PolarHBondContact O-N 3Å; F30-I34 HydrophobicContact CD1-CD1 3.8Å; F30-I34 HydrophobicContact CD1-CG1 4.31Å; F30-I34 HydrophobicContact CE1-CD1 3.24Å; F30-I34 HydrophobicContact CE1-CG1 3.68Å; F30-I34 HydrophobicContact CZ-CD1 3.92Å; F30-I34 HydrophobicContact CZ-CG1 3.85Å; F30-I34 WeakPolarHBondContact O-CG1 3.48Å; F30-I34 PolarHBondContact O-N 2.92Å; F30-V72 HydrophobicContact CE1-CG1 3.79Å; F30-V72 HydrophobicContact CE2-CG1 3.8Å; F30-V72 HydrophobicContact CZ-CB 4.1Å; F30-V72 HydrophobicContact CZ-CG1 3.19Å; F30-L76 HydrophobicContact CD1-CD1 3.5Å; F30-L76 VanDerWaalsContact CD1-CD1 3.5Å; F30-L76 HydrophobicContact CE1-CD1 3.08Å; F30-L76 HydrophobicContact CZ-CD1 3.91Å; F30-I364 HydrophobicContact CB-CG2 3.66Å; F30-I364 HydrophobicContact CD1-CG2 4.1Å; F30-I364 HydrophobicContact CD2-CD1 4.17Å; F30-I364 HydrophobicContact CD2-CG2 3.4Å; F30-I364 HydrophobicContact CE2-CD1 3.88Å; F30-I364 HydrophobicContact CE2-CG2 4.15Å; F30-I364 HydrophobicContact CG-CG2 3.39Å; F30-I364 HydrophobicContact CZ-CD1 4.35Å; F30-L366 HydrophobicContact CB-CD2 4.32Å; F30-L366 HydrophobicContact CD1-CD2 4.04Å; F30-L366 HydrophobicContact CG-CD2 4.41Å
31S88.3Confident83.9Confident0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-64.8-42.5175.8-155.60000111.6S28 P29 L33 I34 A35 I89 N163S28-S31 PolarHBondContact O-N 2.92Å; S28-S31 WeakPolarHBondContact OG-CB 3.49Å; S28-S31 PolarHBondContact OG-N 3.38Å; P29-S31 VanDerWaalsContact C-N 3.34Å; P29-S31 PolarHBondContact O-N 3.2Å; S31-L33 VanDerWaalsContact C-N 3.3Å; S31-L33 PolarHBondContact O-N 2.74Å; S31-I34 WeakPolarHBondContact O-CB 3.37Å; S31-I34 PolarHBondContact O-N 3.12Å; S31-A35 PolarHBondContact O-N 3.49Å; S31-A35 VanDerWaalsContact O-N 3.1Å; S31-I89 WeakPolarHBondContact OG-CG2 3.45Å; S31-N163 VanDerWaalsContact C-ND2 3.3Å; S31-N163 WeakPolarHBondContact CB-ND2 3.47Å; S31-N163 WeakPolarHBondContact CB-OD1 3.35Å; S31-N163 PolarHBondContact O-ND2 3.14Å; S31-N163 PolarHBondContact OG-ND2 2.97Å; S31-N163 PolarHBondContact OG-OD1 3.29Å
32I92.1Very high85.6Confident0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-59.3-41.7171.7-63.5168000110.6F10 T14 I27 S28 P29 I34 A35 L36 L276 H312F10-I32 HydrophobicContact CE1-CG2 4.33Å; F10-I32 HydrophobicContact CZ-CG2 4Å; T14-I32 HydrophobicContact CG2-CD1 4.1Å; I27-I32 HydrophobicContact CB-CD1 4.21Å; I27-I32 HydrophobicContact CD1-CD1 4.46Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.38Å; S28-I32 PolarHBondContact O-N 3.07Å; S28-I32 VanDerWaalsContact O-N 3.07Å; P29-I32 PolarHBondContact O-N 3.12Å; I32-I34 PolarHBondContact O-N 3.18Å; I32-A35 WeakPolarHBondContact O-CB 3.32Å; I32-A35 PolarHBondContact O-N 3.44Å; I32-L36 HydrophobicContact CG2-CD1 3.75Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 2.87Å; I32-L276 HydrophobicContact CD1-CD2 3.76Å; I32-L276 HydrophobicContact CG1-CD1 4.28Å; I32-L276 HydrophobicContact CG1-CD2 4.16Å; I32-L276 HydrophobicContact CG2-CD1 4.11Å; I32-L276 HydrophobicContact CG2-CD2 4.31Å; I32-H312 HydrophobicContact CG1-CB 4.34Å
33L92Very high87.3Confident1 Ų114 Ų141%0.0057%0.066CC..Hα-helixtrans-62.3-41178.4-17661.3000111.9T7 F10 P29 F30 S31 A35 L36 G37 L55 F56 M69T7-L33 HydrophobicContact CG2-CD2 3.79Å; F10-L33 HydrophobicContact CD1-CB 3.94Å; F10-L33 HydrophobicContact CD1-CD1 4.03Å; F10-L33 HydrophobicContact CD1-CD2 4.41Å; F10-L33 HydrophobicContact CD1-CG 4.34Å; F10-L33 HydrophobicContact CE1-CB 3.7Å; F10-L33 HydrophobicContact CE1-CD1 4.13Å; F10-L33 HydrophobicContact CE1-CG 4.44Å; F10-L33 HydrophobicContact CG-CD1 4.24Å; F10-L33 HydrophobicContact CZ-CD1 4.44Å; P29-L33 WeakPolarHBondContact O-CB 3.31Å; P29-L33 PolarHBondContact O-N 3.06Å; F30-L33 HydrophobicContact CD2-CD2 4.34Å; F30-L33 HydrophobicContact CE2-CD2 4.47Å; F30-L33 WeakPolarHBondContact O-CB 3.35Å; F30-L33 PolarHBondContact O-N 3Å; S31-L33 VanDerWaalsContact C-N 3.3Å; S31-L33 PolarHBondContact O-N 2.74Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-L36 PolarHBondContact O-N 3.36Å; L33-G37 PolarHBondContact O-N 3.47Å; L33-L55 HydrophobicContact CD1-CB 3.92Å; L33-L55 HydrophobicContact CD1-CD2 4.2Å; L33-F56 HydrophobicContact CD1-CD1 4.47Å; L33-F56 HydrophobicContact CD1-CE1 3.86Å; L33-F56 HydrophobicContact CD1-CZ 4.27Å; L33-F56 HydrophobicContact CG-CE1 4.37Å; L33-M69 HydrophobicContact CD2-CE 4.36Å
34I87.6Confident89.3Confident4 Ų47 Ų72%0.0215%0.045CC..Hα-helixtrans-59.1-48.8173.2-67.5163.4000110.1F30 S31 I32 L36 G37 M38 M73 N91 Y113F30-I34 HydrophobicContact CD1-CD1 3.8Å; F30-I34 HydrophobicContact CD1-CG1 4.31Å; F30-I34 HydrophobicContact CE1-CD1 3.24Å; F30-I34 HydrophobicContact CE1-CG1 3.68Å; F30-I34 HydrophobicContact CZ-CD1 3.92Å; F30-I34 HydrophobicContact CZ-CG1 3.85Å; F30-I34 WeakPolarHBondContact O-CG1 3.48Å; F30-I34 PolarHBondContact O-N 2.92Å; S31-I34 WeakPolarHBondContact O-CB 3.37Å; S31-I34 PolarHBondContact O-N 3.12Å; I32-I34 PolarHBondContact O-N 3.18Å; I34-L36 VanDerWaalsContact C-N 3.3Å; I34-L36 PolarHBondContact O-N 2.77Å; I34-G37 PolarHBondContact O-N 2.79Å; I34-G37 VanDerWaalsContact O-N 3.09Å; I34-M38 WeakPolarHBondContact O-CG 3.48Å; I34-M38 PolarHBondContact O-N 3.11Å; I34-M73 HydrophobicContact CD1-SD 4.09Å; I34-N91 HydrophobicContact CG2-CB 4.48Å; I34-N91 VanDerWaalsContact CG2-ND2 3.26Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.47Å; I34-Y113 HydrophobicContact CG2-CD1 4.14Å
35A91Very high91.2Very high0 Ų05.6 Ų5.60%04%0.041CC..Hα-helixtrans-56.6-45.2-179.900000112S31 I32 L33 M38 T39 L161 N163S31-A35 PolarHBondContact O-N 3.49Å; S31-A35 VanDerWaalsContact O-N 3.1Å; I32-A35 WeakPolarHBondContact O-CB 3.32Å; I32-A35 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact C-N 3.35Å; A35-M38 HydrophobicContact CB-CE 4.33Å; A35-T39 PolarHBondContact O-N 3.47Å; A35-T39 PolarHBondContact O-OG1 2.97Å; A35-L161 HydrophobicContact CB-CD1 3.79Å; A35-L161 HydrophobicContact CB-CD2 3.81Å; A35-L161 HydrophobicContact CB-CG 3.91Å; A35-L161 VanDerWaalsContact O-CD1 3.28Å; A35-L161 WeakPolarHBondContact O-CD1 3.29Å; A35-N163 HydrophobicContact CB-CB 3.96Å
36L94.6Very high92.5Very high0 Ų09.9 Ų9.90%06%0.064CC..Hα-helixtrans-74.2-30.1177.1-64.8170.4000112.7F10 I32 L33 I34 T39 Y40 M51 L55 L161 L280 L285 M288F10-L36 HydrophobicContact CE2-CD1 4.27Å; F10-L36 HydrophobicContact CZ-CD1 3.85Å; I32-L36 HydrophobicContact CG2-CD1 3.75Å; I32-L36 HydrophobicContact CG2-CG 4.37Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 2.87Å; L33-L36 PolarHBondContact O-N 3.36Å; I34-L36 VanDerWaalsContact C-N 3.3Å; I34-L36 PolarHBondContact O-N 2.77Å; L36-T39 CarbonylContact O-C 3.56Å; L36-T39 WeakPolarHBondContact O-CB 3.35Å; L36-T39 PolarHBondContact O-N 3.46Å; L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.05Å; L36-M51 WeakPolarHBondContact O-CE 3.47Å; L36-L55 HydrophobicContact CB-CD1 3.65Å; L36-L55 HydrophobicContact CB-CD2 3.86Å; L36-L55 HydrophobicContact CB-CG 4.41Å; L36-L55 HydrophobicContact CD1-CD2 3.52Å; L36-L55 HydrophobicContact CG-CD2 4.3Å; L36-L161 HydrophobicContact CD2-CD2 3.82Å; L36-L161 HydrophobicContact CG-CD2 4.36Å; L36-L280 HydrophobicContact CD1-CD1 4.49Å; L36-L280 HydrophobicContact CD1-CD2 3.49Å; L36-L280 VanDerWaalsContact CD1-CD2 3.49Å; L36-L280 HydrophobicContact CD2-CD1 3.79Å; L36-L280 HydrophobicContact CD2-CD2 4.22Å; L36-L280 HydrophobicContact CG-CD2 4.46Å; L36-L285 HydrophobicContact CD1-CD1 4.35Å; L36-M288 HydrophobicContact CD2-CE 4.15Å
37G92.6Very high93.4Very high0 Ų09.8 Ų9.80%06%0.064CC..Hα-helixtrans-63.6-43.7174.100000112.4L33 I34 T39 Y40 V41L33-G37 PolarHBondContact O-N 3.47Å; I34-G37 PolarHBondContact O-N 2.79Å; I34-G37 VanDerWaalsContact O-N 3.09Å; G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.26Å; G37-Y40 WeakPolarHBondContact O-CB 3.16Å; G37-Y40 PolarHBondContact O-N 2.81Å; G37-Y40 VanDerWaalsContact O-N 3.16Å; G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 3.19Å; G37-V41 VanDerWaalsContact O-N 3.11Å
38M91.8Very high93.8Very high0 Ų012 Ų120%07%0.074CC..Hα-helixtrans-58.5-43171.3-63.3-174.7-75.300111.9I34 A35 Y40 V41 N91 L93 F105 I109 Y113 A115 L161I34-M38 WeakPolarHBondContact O-CG 3.48Å; I34-M38 PolarHBondContact O-N 3.11Å; A35-M38 HydrophobicContact CB-CE 4.33Å; M38-Y40 VanDerWaalsContact C-N 3.3Å; M38-Y40 PolarHBondContact O-N 3.24Å; M38-V41 PolarHBondContact O-N 2.87Å; M38-N91 HydrophobicContact CE-CB 3.71Å; M38-N91 HydrophobicContact SD-CB 4.41Å; M38-L93 HydrophobicContact CB-CD1 4.38Å; M38-F105 WeakPolarHBondContact O-CE2 3.44Å; M38-I109 HydrophobicContact CB-CG2 4.06Å; M38-I109 HydrophobicContact CG-CB 4.43Å; M38-I109 HydrophobicContact CG-CG2 4.32Å; M38-Y113 HydrophobicContact CG-CD1 3.95Å; M38-Y113 HydrophobicContact CG-CD2 4.4Å; M38-Y113 HydrophobicContact CG-CG 3.73Å; M38-A115 HydrophobicContact CE-CB 4.26Å; M38-A115 HydrophobicContact CG-CB 4.31Å; M38-A115 HydrophobicContact SD-CB 3.06Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å; M38-L161 HydrophobicContact CE-CD1 4.15Å
39T95.3Very high94Very high0 Ų015.3 Ų15.30%010%0.097CC..Hα-helixtrans-66.8-35.7179-53.50000110.9A35 L36 G37 G42 S43 M51 M288 F296 V307A35-T39 PolarHBondContact O-N 3.47Å; A35-T39 PolarHBondContact O-OG1 2.97Å; L36-T39 CarbonylContact O-C 3.56Å; L36-T39 WeakPolarHBondContact O-CB 3.35Å; L36-T39 PolarHBondContact O-N 3.46Å; G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.26Å; T39-G42 PolarHBondContact O-N 3.3Å; T39-G42 VanDerWaalsContact O-N 3.16Å; T39-S43 PolarHBondContact O-N 2.87Å; T39-M51 HydrophobicContact CG2-CE 3.81Å; T39-M51 HydrophobicContact CG2-SD 4.35Å; T39-M288 HydrophobicContact CG2-CE 3.92Å; T39-F296 HydrophobicContact CG2-CD1 4.45Å; T39-F296 HydrophobicContact CG2-CE1 3.43Å; T39-F296 VanDerWaalsContact CG2-CE1 3.43Å; T39-F296 HydrophobicContact CG2-CZ 3.63Å; T39-F296 WeakPolarHBondContact O-CE1 3.47Å; T39-V307 HydrophobicContact CG2-CG2 4.04Å
40Y96.6Very high94.2Very high3 Ų317 Ų171%0.01210%0.104CC..Hα-helixtrans-62.7-41.7176.4170-102.5000112.2L36 G37 M38 G42 S43 K48 M51 K52 F56 D62 I65L36-Y40 WeakPolarHBondContact O-CB 3.47Å; L36-Y40 PolarHBondContact O-N 3.05Å; G37-Y40 WeakPolarHBondContact O-CB 3.16Å; G37-Y40 PolarHBondContact O-N 2.81Å; G37-Y40 VanDerWaalsContact O-N 3.16Å; M38-Y40 VanDerWaalsContact C-N 3.3Å; M38-Y40 PolarHBondContact O-N 3.24Å; Y40-G42 PolarHBondContact O-N 3.02Å; Y40-S43 WeakPolarHBondContact O-CB 3.46Å; Y40-S43 PolarHBondContact O-N 2.84Å; Y40-S43 PolarHBondContact O-OG 3Å; Y40-K48 HydrophobicContact CD2-CG 4.08Å; Y40-K48 HydrophobicContact CE2-CD 4.23Å; Y40-K48 HydrophobicContact CE2-CG 3.44Å; Y40-K48 VanDerWaalsContact CE2-CG 3.44Å; Y40-K48 VanDerWaalsContact CZ-CE 3.46Å; Y40-K48 WeakPolarHBondContact OH-CE 3.37Å; Y40-M51 HydrophobicContact CD2-CB 3.83Å; Y40-K52 HydrophobicContact CE2-CB 3.8Å; Y40-K52 HydrophobicContact CE2-CG 4.32Å; Y40-F56 AromaticContact CD1-CE2 3.95Å; Y40-F56 HydrophobicContact CD1-CE2 3.95Å; Y40-F56 HydrophobicContact CD2-CE2 4.45Å; Y40-F56 HydrophobicContact CE1-CE2 4.42Å; Y40-F56 AromaticContact CG-CE2 3.96Å; Y40-F56 HydrophobicContact CG-CE2 3.96Å; Y40-D62 PolarHBondContact OH-OD1 3.14Å; Y40-I65 HydrophobicContact CE1-CD1 3.98Å
41V96.5Very high94.5Very high23 Ų2316.7 Ų16.714%0.13910%0.103CC..Hα-helixtrans-54.4-37.3174.9175.80000111.1G37 M38 S43 F105 C108 I109 Y113G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 3.19Å; G37-V41 VanDerWaalsContact O-N 3.11Å; M38-V41 PolarHBondContact O-N 2.87Å; V41-S43 VanDerWaalsContact C-N 3.34Å; V41-F105 HydrophobicContact CB-CD2 4.34Å; V41-F105 HydrophobicContact CB-CE2 4.14Å; V41-F105 HydrophobicContact CG1-CD2 3.85Å; V41-F105 HydrophobicContact CG1-CE2 4.13Å; V41-C108 HydrophobicContact CG1-CB 3.85Å; V41-C108 WeakPolarHBondContact CG1-SG 3.27Å; V41-I109 HydrophobicContact CB-CG2 4.3Å; V41-I109 HydrophobicContact CG1-CG2 4.38Å; V41-Y113 HydrophobicContact CG2-CE2 3.63Å
42G97Very high94.8Very high0 Ų019.1 Ų19.10%011%0.114CC..THydrogen-bonded Turntrans-79.5-10.6179.400000115.1T39 Y40 F296 K298 I299T39-G42 PolarHBondContact O-N 3.3Å; T39-G42 VanDerWaalsContact O-N 3.16Å; Y40-G42 PolarHBondContact O-N 3.02Å; G42-F296 CarbonylContact O-C 3.51Å; G42-F296 VanDerWaalsContact O-C 3.23Å; G42-F296 WeakPolarHBondContact O-CA 3.42Å; G42-K298 WeakPolarHBondContact O-CB 3.35Å; G42-K298 PolarHBondContact O-N 3.2Å; G42-I299 VanDerWaalsContact CA-CG1 3.45Å
43S97.7Very high94.7Very high0 Ų021.8 Ų21.80%013%0.133CC..  trans-89.3157.2-172.1740000113.6T39 Y40 V41 K48 N295T39-S43 PolarHBondContact O-N 2.87Å; Y40-S43 WeakPolarHBondContact O-CB 3.46Å; Y40-S43 PolarHBondContact O-N 2.84Å; Y40-S43 PolarHBondContact O-OG 3Å; V41-S43 VanDerWaalsContact C-N 3.34Å; S43-K48 VanDerWaalsContact OG-CA 3.28Å; S43-K48 WeakPolarHBondContact OG-CA 3.29Å; S43-K48 VanDerWaalsContact OG-CB 3.29Å; S43-K48 WeakPolarHBondContact OG-CB 3.48Å; S43-K48 WeakPolarHBondContact OG-CG 3.36Å; S43-N295 CarbonylContact C-O 3.57Å; S43-N295 WeakPolarHBondContact CA-O 3.36Å
44S97.7Very high94.7Very high33 Ų3325.3 Ų25.323%0.23115%0.148CC..  trans-146.8168173.6-175.90000111.6K48 N295S44-K48 PolarHBondContact O-N 2.74Å; S44-N295 WeakPolarHBondContact CB-ND2 3.08Å; S44-N295 PolarHBondContact N-O 3.32Å; S44-N295 WeakPolarHBondContact O-CB 3.11Å; S44-N295 PolarHBondContact O-ND2 2.83Å; S44-N295 VanDerWaalsContact O-ND2 3.12Å
45G96.4Very high94.9Very high37 Ų3725.1 Ų25.138%0.38115%0.147SC..Hα-helixtrans58.1-138.5176.500000114.6T47 K48 S49G45-T47 PolarHBondContact O-N 2.81Å; G45-K48 PolarHBondContact O-N 3.34Å; G45-S49 PolarHBondContact O-N 2.97Å; G45-S49 PolarHBondContact O-OG 2.97Å
46N97.4Very high94.6Very high96 Ų9625.5 Ų25.551%0.51315%0.148SC..Hα-helixtrans-66.3-36.3-177.2-162.152.8000112.8K48 S49 Q50 D287N46-K48 VanDerWaalsContact C-N 3.31Å; N46-K48 PolarHBondContact O-N 3.41Å; N46-S49 WeakPolarHBondContact O-CB 3.27Å; N46-S49 PolarHBondContact O-N 2.74Å; N46-Q50 PolarHBondContact O-N 2.68Å; N46-D287 PolarHBondContact ND2-OD2 3.26Å
47T97.7Very high93.9Very high1 Ų128 Ų281%0.00616%0.16CC..Hα-helixtrans-54.7-48.3172.5-48.40000111G45 S49 Q50 M51 M288 L293 N295 F296G45-T47 PolarHBondContact O-N 2.81Å; T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 3.22Å; T47-Q50 PolarHBondContact O-N 2.82Å; T47-M51 HydrophobicContact CG2-SD 4.39Å; T47-M51 VanDerWaalsContact O-CG 3.29Å; T47-M51 WeakPolarHBondContact O-CG 3.11Å; T47-M51 PolarHBondContact O-N 2.8Å; T47-M288 HydrophobicContact CG2-CB 3.98Å; T47-L293 PolarHBondContact OG1-O 3.35Å; T47-N295 PolarHBondContact OG1-N 3.27Å; T47-F296 HydrophobicContact CG2-CE1 4.37Å; T47-F296 HydrophobicContact CG2-CE2 4.38Å; T47-F296 HydrophobicContact CG2-CZ 4.01Å
48K96.6Very high93Very high47 Ų4731.8 Ų31.820%0.20419%0.187CC..Hα-helixtrans-62.4-39.8176.2-172.2171-170.81640112.4Y40 S43 S44 G45 N46 M51 K52 D62Y40-K48 HydrophobicContact CD2-CG 4.08Å; Y40-K48 HydrophobicContact CE2-CD 4.23Å; Y40-K48 HydrophobicContact CE2-CG 3.44Å; Y40-K48 VanDerWaalsContact CE2-CG 3.44Å; Y40-K48 VanDerWaalsContact CZ-CE 3.46Å; Y40-K48 WeakPolarHBondContact OH-CE 3.37Å; S43-K48 VanDerWaalsContact OG-CA 3.28Å; S43-K48 WeakPolarHBondContact OG-CA 3.29Å; S43-K48 VanDerWaalsContact OG-CB 3.29Å; S43-K48 WeakPolarHBondContact OG-CB 3.48Å; S43-K48 WeakPolarHBondContact OG-CG 3.36Å; S44-K48 PolarHBondContact O-N 2.74Å; G45-K48 PolarHBondContact O-N 3.34Å; N46-K48 VanDerWaalsContact C-N 3.31Å; N46-K48 PolarHBondContact O-N 3.41Å; K48-M51 PolarHBondContact O-N 2.94Å; K48-K52 WeakPolarHBondContact O-CB 3.49Å; K48-K52 PolarHBondContact O-N 3.02Å; K48-D62 WeakPolarHBondContact CE-OD2 3.4Å; K48-D62 IonicContact NZ-OD1 2.63Å; K48-D62 IonicContact NZ-OD2 2.88Å; K48-D62 PolarHBondContact NZ-OD2 2.76Å
49S95.5Very high92.3Very high70 Ų7035.8 Ų35.849%0.4922%0.215SC..Hα-helixtrans-66-45-179.5-55.90000111.7G45 N46 T47 K52 S53G45-S49 PolarHBondContact O-N 2.97Å; G45-S49 PolarHBondContact O-OG 2.97Å; N46-S49 WeakPolarHBondContact O-CB 3.27Å; N46-S49 PolarHBondContact O-N 2.74Å; T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 3.22Å; S49-K52 PolarHBondContact O-N 2.94Å; S49-S53 WeakPolarHBondContact O-CB 3.45Å; S49-S53 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-OG 3.43Å
50Q95.5Very high91.7Very high34 Ų3437.2 Ų37.216%0.15922%0.222CC..Hα-helixtrans-57.1-53.3171.9-76-179.2-4.300110.6N46 T47 K52 S53 K54 L285 T286 D287N46-Q50 PolarHBondContact O-N 2.68Å; T47-Q50 PolarHBondContact O-N 2.82Å; Q50-K52 PolarHBondContact O-N 2.88Å; Q50-S53 PolarHBondContact O-N 2.85Å; Q50-S53 PolarHBondContact O-OG 2.83Å; Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 2.8Å; Q50-L285 HydrophobicContact CB-CD2 4.41Å; Q50-T286 PolarHBondContact NE2-OG1 2.71Å; Q50-D287 VanDerWaalsContact CD-CG 3.5Å; Q50-D287 PolarHBondContact NE2-OD1 2.73Å; Q50-D287 VanDerWaalsContact OE1-CB 3.28Å; Q50-D287 VanDerWaalsContact OE1-CG 3.31Å; Q50-D287 PolarHBondContact OE1-OD1 2.77Å
51M95.3Very high91.3Very high1 Ų138.4 Ų38.41%0.00524%0.236CC..Hα-helixtrans-57.5-50179.6-69.4-17481.700112.1L36 T39 Y40 T47 K48 S53 K54 L55 L285 F296L36-M51 WeakPolarHBondContact O-CE 3.47Å; T39-M51 HydrophobicContact CG2-CE 3.81Å; T39-M51 HydrophobicContact CG2-SD 4.35Å; Y40-M51 HydrophobicContact CD2-CB 3.83Å; T47-M51 HydrophobicContact CG2-SD 4.39Å; T47-M51 VanDerWaalsContact O-CG 3.29Å; T47-M51 WeakPolarHBondContact O-CG 3.11Å; T47-M51 PolarHBondContact O-N 2.8Å; K48-M51 PolarHBondContact O-N 2.94Å; M51-S53 PolarHBondContact O-N 3.44Å; M51-K54 PolarHBondContact O-N 2.91Å; M51-L55 HydrophobicContact CB-CD1 4.07Å; M51-L55 HydrophobicContact CE-CD1 3.96Å; M51-L55 VanDerWaalsContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CB 3.43Å; M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 3.1Å; M51-L285 HydrophobicContact CB-CD2 4.38Å; M51-L285 HydrophobicContact CG-CD2 4.03Å; M51-F296 HydrophobicContact SD-CE1 4.36Å
52K93.3Very high91Very high52 Ų5240.4 Ų40.423%0.22625%0.245CC..Hα-helixtrans-56.5-50.5179.4-165.9177.6-177.2-1750111.7Y40 K48 S49 Q50 K54 F56 S58 L60Y40-K52 HydrophobicContact CE2-CB 3.8Å; Y40-K52 HydrophobicContact CE2-CG 4.32Å; K48-K52 WeakPolarHBondContact O-CB 3.49Å; K48-K52 PolarHBondContact O-N 3.02Å; S49-K52 PolarHBondContact O-N 2.94Å; Q50-K52 PolarHBondContact O-N 2.88Å; K52-K54 PolarHBondContact O-N 2.82Å; K52-F56 CarbonylContact O-C 3.46Å; K52-F56 PolarHBondContact O-N 3.22Å; K52-S58 WeakPolarHBondContact CE-O 3.41Å; K52-S58 PolarHBondContact NZ-O 3.25Å; K52-L60 WeakPolarHBondContact CE-O 3.48Å; K52-L60 PolarHBondContact NZ-O 3.42Å
53S91.5Very high90.7Very high56 Ų5648.2 Ų48.239%0.39228%0.282SS..Hα-helixtrans-64.8-25-175.472.40000114.4S49 Q50 M51S49-S53 WeakPolarHBondContact O-CB 3.45Å; S49-S53 PolarHBondContact O-N 3.32Å; S49-S53 PolarHBondContact O-OG 3.43Å; Q50-S53 PolarHBondContact O-N 2.85Å; Q50-S53 PolarHBondContact O-OG 2.83Å; M51-S53 PolarHBondContact O-N 3.44Å
54K91.3Very high90.2Very high74 Ų7453.6 Ų53.632%0.32231%0.307SS..Hα-helixtrans-100.3-28.8-176.7-59.4-53.7-179.11760113.5R13 Q50 M51 K52 L283 L285R13-K54 PolarHBondContact NH1-O 2.94Å; R13-K54 PolarHBondContact NH2-O 3.06Å; Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 2.8Å; M51-K54 PolarHBondContact O-N 2.91Å; K52-K54 PolarHBondContact O-N 2.82Å; K54-L283 WeakPolarHBondContact CD-O 3.39Å; K54-L283 WeakPolarHBondContact CE-O 3.16Å; K54-L283 WeakPolarHBondContact CG-O 3.48Å; K54-L285 HydrophobicContact CB-CD2 3.85Å; K54-L285 HydrophobicContact CB-CG 4.34Å; K54-L285 HydrophobicContact CG-CD2 3.95Å; K54-L285 HydrophobicContact CG-CG 4.46Å
55L91Very high89.8Confident0 Ų052 Ų520%030%0.296CS..Hα-helixtrans-94.3-35.7-176.3-58.4177.6000112.6F10 L33 L36 M51 L285F10-L55 HydrophobicContact CD2-CD2 3.98Å; F10-L55 HydrophobicContact CE2-CD2 3.39Å; F10-L55 HydrophobicContact CZ-CD2 3.98Å; L33-L55 HydrophobicContact CD1-CB 3.92Å; L33-L55 HydrophobicContact CD1-CD2 4.2Å; L36-L55 HydrophobicContact CB-CD1 3.65Å; L36-L55 HydrophobicContact CB-CD2 3.86Å; L36-L55 HydrophobicContact CB-CG 4.41Å; L36-L55 HydrophobicContact CD1-CD2 3.52Å; L36-L55 HydrophobicContact CG-CD2 4.3Å; M51-L55 HydrophobicContact CB-CD1 4.07Å; M51-L55 HydrophobicContact CE-CD1 3.96Å; M51-L55 VanDerWaalsContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CB 3.43Å; M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 3.1Å; L55-L285 HydrophobicContact CD2-CD1 4.21Å
56F86.4Confident89.6Confident8 Ų851.2 Ų51.24%0.03528%0.283CS..SBendtrans-132.1163.9-168.2-51.3-65.1000111.1L33 Y40 K52 S58 I65 M69L33-F56 HydrophobicContact CD1-CD1 4.47Å; L33-F56 HydrophobicContact CD1-CE1 3.86Å; L33-F56 HydrophobicContact CD1-CZ 4.27Å; L33-F56 HydrophobicContact CG-CE1 4.37Å; Y40-F56 AromaticContact CD1-CE2 3.95Å; Y40-F56 HydrophobicContact CD1-CE2 3.95Å; Y40-F56 HydrophobicContact CD2-CE2 4.45Å; Y40-F56 HydrophobicContact CE1-CE2 4.42Å; Y40-F56 AromaticContact CG-CE2 3.96Å; Y40-F56 HydrophobicContact CG-CE2 3.96Å; K52-F56 CarbonylContact O-C 3.46Å; K52-F56 PolarHBondContact O-N 3.22Å; F56-S58 PolarHBondContact O-N 2.75Å; F56-I65 HydrophobicContact CB-CD1 4.14Å; F56-I65 HydrophobicContact CD1-CG2 4.12Å; F56-I65 HydrophobicContact CD2-CD1 3.79Å; F56-I65 HydrophobicContact CD2-CG1 4.46Å; F56-I65 HydrophobicContact CD2-CG2 4.24Å; F56-I65 HydrophobicContact CE1-CG2 3.8Å; F56-I65 HydrophobicContact CE2-CD1 4.39Å; F56-I65 HydrophobicContact CE2-CG2 3.94Å; F56-I65 HydrophobicContact CG-CD1 3.95Å; F56-I65 HydrophobicContact CG-CG1 4.25Å; F56-I65 HydrophobicContact CG-CG2 4.34Å; F56-I65 HydrophobicContact CZ-CG2 3.71Å; F56-M69 HydrophobicContact CE1-CE 4.1Å
57E79.1Confident89.1Confident52 Ų5250.3 Ų50.324%0.24328%0.284CS..  trans-66.3133.1167.4-168.1-176.9-171.500110.2M1 S6 S59 L60M1-E57 HydrophobicContact CB-CG 4.47Å; M1-E57 PolarHBondContact N-OE1 2.93Å; S6-E57 PolarHBondContact OG-N 3.4Å; E57-S59 WeakPolarHBondContact CG-OG 3.09Å; E57-S59 PolarHBondContact O-N 3.48Å; E57-S59 VanDerWaalsContact O-N 3.12Å; E57-S59 PolarHBondContact OE1-OG 2.88Å; E57-S59 PolarHBondContact OE2-OG 3.17Å; E57-L60 HydrophobicContact CB-CD1 4.24Å; E57-L60 HydrophobicContact CB-CG 4.24Å; E57-L60 PolarHBondContact O-N 3.29Å; E57-L60 VanDerWaalsContact O-N 3.1Å
58S72.9Confident88.4Confident81 Ų8152.5 Ų52.557%0.56630%0.295SS*.THydrogen-bonded Turntrans-62.2-25.5-172.9-64.40000113.7K52 F56 L60K52-S58 WeakPolarHBondContact CE-O 3.41Å; K52-S58 PolarHBondContact NZ-O 3.25Å; F56-S58 PolarHBondContact O-N 2.75Å; S58-L60 VanDerWaalsContact C-N 3.33Å
59S77.9Confident87.8Confident83 Ų8350.4 Ų50.458%0.5829%0.287SS*.THydrogen-bonded Turntrans-71.5-22.3178.7560000113.8E57E57-S59 WeakPolarHBondContact CG-OG 3.09Å; E57-S59 PolarHBondContact O-N 3.48Å; E57-S59 VanDerWaalsContact O-N 3.12Å; E57-S59 PolarHBondContact OE1-OG 2.88Å; E57-S59 PolarHBondContact OE2-OG 3.17Å
60L83Confident87.4Confident30 Ų3047.7 Ų47.716%0.15727%0.267CS..  trans-73.5130.4-176.5-64.7176000111.5K52 E57 S58 Q64 I65K52-L60 WeakPolarHBondContact CE-O 3.48Å; K52-L60 PolarHBondContact NZ-O 3.42Å; E57-L60 HydrophobicContact CB-CD1 4.24Å; E57-L60 HydrophobicContact CB-CG 4.24Å; E57-L60 PolarHBondContact O-N 3.29Å; E57-L60 VanDerWaalsContact O-N 3.1Å; S58-L60 VanDerWaalsContact C-N 3.33Å; L60-Q64 HydrophobicContact CD2-CB 4.39Å; L60-I65 HydrophobicContact CB-CD1 4.26Å; L60-I65 HydrophobicContact CB-CG1 3.84Å; L60-I65 HydrophobicContact CD1-CG1 4.43Å
61G87.9Confident86.8Confident29 Ų2947.9 Ų47.930%0.29928%0.279SS..  trans-75.3160.3169.900000112.5Q63 Q64 I65G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.66Å; G61-Q64 WeakPolarHBondContact O-CB 3.41Å; G61-Q64 PolarHBondContact O-N 3.37Å; G61-I65 WeakPolarHBondContact O-CG1 3.24Å; G61-I65 PolarHBondContact O-N 3.35Å
62D91.1Very high86.1Confident64 Ų6448 Ų4834%0.34228%0.28SS..Hα-helixtrans-56.2-41.9-179.6-68.9-12.7000113Y40 K48 Q64 I65 N66Y40-D62 PolarHBondContact OH-OD1 3.14Å; K48-D62 WeakPolarHBondContact CE-OD2 3.4Å; K48-D62 IonicContact NZ-OD1 2.63Å; K48-D62 IonicContact NZ-OD2 2.88Å; K48-D62 PolarHBondContact NZ-OD2 2.76Å; D62-Q64 VanDerWaalsContact C-N 3.35Å; D62-I65 PolarHBondContact O-N 2.98Å; D62-N66 WeakPolarHBondContact O-CB 3.44Å; D62-N66 PolarHBondContact O-N 3.48Å
63Q89.5Confident85.5Confident165 Ų16547 Ų4777%0.77128%0.276SS*.Hα-helixtrans-63.8-41.1177-72.4-179.3-13.400111.6G61 N66 S67G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.66Å; Q63-N66 PolarHBondContact O-N 3.03Å; Q63-S67 WeakPolarHBondContact O-CB 3.5Å; Q63-S67 PolarHBondContact O-N 3.48Å; Q63-S67 PolarHBondContact O-OG 2.89Å; Q63-S67 VanDerWaalsContact O-OG 3.09Å
64Q87.7Confident84.9Confident112 Ų11251.7 Ų51.752%0.52329%0.289SS..Hα-helixtrans-64.4-42.9177.2-67.2173.6-46.600111L60 G61 D62 L68L60-Q64 HydrophobicContact CD2-CB 4.39Å; G61-Q64 WeakPolarHBondContact O-CB 3.41Å; G61-Q64 PolarHBondContact O-N 3.37Å; D62-Q64 VanDerWaalsContact C-N 3.35Å; Q64-L68 WeakPolarHBondContact O-CB 3.32Å; Q64-L68 PolarHBondContact O-N 3.2Å
65I89.7Confident84.1Confident0 Ų050 Ų500%029%0.287CS..Hα-helixtrans-59.3-49175.4-65.6166.1000110.1Y40 F56 L60 G61 D62 L68 M69Y40-I65 HydrophobicContact CE1-CD1 3.98Å; F56-I65 HydrophobicContact CB-CD1 4.14Å; F56-I65 HydrophobicContact CD1-CG2 4.12Å; F56-I65 HydrophobicContact CD2-CD1 3.79Å; F56-I65 HydrophobicContact CD2-CG1 4.46Å; F56-I65 HydrophobicContact CD2-CG2 4.24Å; F56-I65 HydrophobicContact CE1-CG2 3.8Å; F56-I65 HydrophobicContact CE2-CD1 4.39Å; F56-I65 HydrophobicContact CE2-CG2 3.94Å; F56-I65 HydrophobicContact CG-CD1 3.95Å; F56-I65 HydrophobicContact CG-CG1 4.25Å; F56-I65 HydrophobicContact CG-CG2 4.34Å; F56-I65 HydrophobicContact CZ-CG2 3.71Å; L60-I65 HydrophobicContact CB-CD1 4.26Å; L60-I65 HydrophobicContact CB-CG1 3.84Å; L60-I65 HydrophobicContact CD1-CG1 4.43Å; G61-I65 WeakPolarHBondContact O-CG1 3.24Å; G61-I65 PolarHBondContact O-N 3.35Å; D62-I65 PolarHBondContact O-N 2.98Å; I65-L68 WeakPolarHBondContact O-CB 3Å; I65-L68 PolarHBondContact O-N 3.27Å; I65-M69 HydrophobicContact CG2-CG 4.38Å; I65-M69 VanDerWaalsContact O-CG 3.25Å; I65-M69 WeakPolarHBondContact O-CG 3.48Å; I65-M69 PolarHBondContact O-N 3.12Å
66N90.8Very high83.2Confident21 Ų2150.1 Ų50.111%0.11229%0.288CS..Hα-helixtrans-67.2-45.1-178.5-76.3-13.7000113.3D62 Q63 L68 M69 S70 C108 H112 Y113D62-N66 WeakPolarHBondContact O-CB 3.44Å; D62-N66 PolarHBondContact O-N 3.48Å; Q63-N66 PolarHBondContact O-N 3.03Å; N66-L68 PolarHBondContact O-N 3.3Å; N66-M69 PolarHBondContact O-N 2.93Å; N66-S70 WeakPolarHBondContact O-CB 3.31Å; N66-S70 PolarHBondContact O-N 3.21Å; N66-C108 PolarHBondContact ND2-SG 3.49Å; N66-H112 HydrophobicContact CB-CB 4.23Å; N66-H112 PolarHBondContact O-ND1 3.25Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.39Å; N66-Y113 PolarHBondContact OD1-OH 2.79Å
67S87.2Confident82.1Confident76 Ų7655.2 Ų55.253%0.53132%0.315SS..Hα-helixtrans-58.3-39.9175.2-69.50000111.1Q63 G71Q63-S67 WeakPolarHBondContact O-CB 3.5Å; Q63-S67 PolarHBondContact O-N 3.48Å; Q63-S67 PolarHBondContact O-OG 2.89Å; Q63-S67 VanDerWaalsContact O-OG 3.09Å; S67-G71 PolarHBondContact O-N 3.29Å
68L83Confident81Confident47 Ų4753.2 Ų53.225%0.24631%0.305CS..Hα-helixtrans-69.1-49.7179173.167.9000112.7L3 Q64 I65 N66 S70 G71 V72L3-L68 HydrophobicContact CB-CD2 4.46Å; L3-L68 HydrophobicContact CD1-CD2 3.19Å; L3-L68 HydrophobicContact CD1-CG 4.42Å; L3-L68 HydrophobicContact CD2-CD1 3.1Å; L3-L68 HydrophobicContact CD2-CD2 3.12Å; L3-L68 HydrophobicContact CD2-CG 3.48Å; L3-L68 VanDerWaalsContact CD2-CG 3.48Å; L3-L68 HydrophobicContact CG-CD1 4.41Å; L3-L68 HydrophobicContact CG-CD2 3.63Å; L3-L68 HydrophobicContact CG-CG 4.48Å; Q64-L68 WeakPolarHBondContact O-CB 3.32Å; Q64-L68 PolarHBondContact O-N 3.2Å; I65-L68 WeakPolarHBondContact O-CB 3Å; I65-L68 PolarHBondContact O-N 3.27Å; N66-L68 PolarHBondContact O-N 3.3Å; L68-S70 PolarHBondContact O-N 2.85Å; L68-G71 PolarHBondContact O-N 2.78Å; L68-G71 VanDerWaalsContact O-N 3.08Å; L68-V72 HydrophobicContact CD1-CG2 4.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.42Å; L68-V72 PolarHBondContact O-N 3.1Å
69M85.2Confident80.1Confident4 Ų452.7 Ų52.72%0.0230%0.302CS..Hα-helixtrans-57.5-38.9176.8-69-66122.100110.4L33 F56 I65 N66 V72 M73 H112 Y113L33-M69 HydrophobicContact CD2-CE 4.36Å; F56-M69 HydrophobicContact CE1-CE 4.1Å; I65-M69 HydrophobicContact CG2-CG 4.38Å; I65-M69 VanDerWaalsContact O-CG 3.25Å; I65-M69 WeakPolarHBondContact O-CG 3.48Å; I65-M69 PolarHBondContact O-N 3.12Å; N66-M69 PolarHBondContact O-N 2.93Å; M69-V72 PolarHBondContact O-N 3.04Å; M69-M73 VanDerWaalsContact O-CB 3.24Å; M69-M73 WeakPolarHBondContact O-CB 3.32Å; M69-M73 PolarHBondContact O-N 2.82Å; M69-H112 CarbonylContact C-O 3.57Å; M69-Y113 HydrophobicContact CB-CD1 4.15Å; M69-Y113 HydrophobicContact CB-CE1 3.67Å; M69-Y113 HydrophobicContact CG-CD1 4.4Å; M69-Y113 HydrophobicContact CG-CE1 3.55Å; M69-Y113 HydrophobicContact SD-CE1 4.27Å
70S86.4Confident79Confident12 Ų1251.5 Ų51.58%0.08429%0.289CS..Hα-helixtrans-63.7-45.2174.1-168.10000112.6N66 L68 M73 K74 E111 H112N66-S70 WeakPolarHBondContact O-CB 3.31Å; N66-S70 PolarHBondContact O-N 3.21Å; L68-S70 PolarHBondContact O-N 2.85Å; S70-M73 PolarHBondContact O-N 2.94Å; S70-K74 WeakPolarHBondContact O-CB 3.47Å; S70-K74 VanDerWaalsContact O-CG 3.24Å; S70-K74 WeakPolarHBondContact O-CG 3.36Å; S70-K74 PolarHBondContact O-N 2.94Å; S70-E111 PolarHBondContact OG-O 2.79Å; S70-H112 WeakPolarHBondContact CA-O 3.38Å; S70-H112 PolarHBondContact N-O 2.76Å
71G83.6Confident77.8Confident39 Ų3954.4 Ų54.440%0.40231%0.308SS..Hα-helixtrans-60.9-46.5177.600000111.9S67 L68 K74 S75S67-G71 PolarHBondContact O-N 3.29Å; L68-G71 PolarHBondContact O-N 2.78Å; L68-G71 VanDerWaalsContact O-N 3.08Å; G71-K74 PolarHBondContact O-N 3.14Å; G71-S75 PolarHBondContact O-N 3.02Å
72V80.4Confident76.3Confident4 Ų462 Ų622%0.02433%0.333CS..Hα-helixtrans-64.2-48176.6176.10000110.8F30 L68 M69 K74 S75 L76 I364F30-V72 HydrophobicContact CE1-CG1 3.79Å; F30-V72 HydrophobicContact CE2-CG1 3.8Å; F30-V72 HydrophobicContact CZ-CB 4.1Å; F30-V72 HydrophobicContact CZ-CG1 3.19Å; L68-V72 HydrophobicContact CD1-CG2 4.23Å; L68-V72 WeakPolarHBondContact O-CG2 3.42Å; L68-V72 PolarHBondContact O-N 3.1Å; M69-V72 PolarHBondContact O-N 3.04Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.22Å; V72-S75 WeakPolarHBondContact CA-OG 3.49Å; V72-S75 CarbonylContact O-C 3.5Å; V72-S75 WeakPolarHBondContact O-CA 3.2Å; V72-S75 PolarHBondContact O-N 3.41Å; V72-S75 PolarHBondContact O-OG 2.77Å; V72-L76 HydrophobicContact CG1-CD1 3.6Å; V72-L76 HydrophobicContact CG1-CG 3.88Å; V72-L76 WeakPolarHBondContact O-CB 3.32Å; V72-L76 WeakPolarHBondContact O-CG 3.38Å; V72-L76 PolarHBondContact O-N 2.84Å; V72-I364 HydrophobicContact CB-CD1 4.13Å; V72-I364 HydrophobicContact CG1-CD1 3.26Å; V72-I364 HydrophobicContact CG2-CD1 3.66Å
73M79.7Confident75Confident31 Ų3162.7 Ų62.715%0.15334%0.337CS..Hα-helixtrans-61.5-37.1-178.9-167.163.2-153.500112I34 M69 S70 L76 N77 I89I34-M73 HydrophobicContact CD1-SD 4.09Å; M69-M73 VanDerWaalsContact O-CB 3.24Å; M69-M73 WeakPolarHBondContact O-CB 3.32Å; M69-M73 PolarHBondContact O-N 2.82Å; S70-M73 PolarHBondContact O-N 2.94Å; M73-L76 PolarHBondContact O-N 3.35Å; M73-N77 PolarHBondContact O-N 2.61Å; M73-I89 HydrophobicContact CE-CD1 4.5Å
74K79.7Confident74.1Confident153 Ų15355.4 Ų55.467%0.66531%0.306SS*.Hα-helixtrans-65-38.7172.4-73.7171.4-176.3175.90112.3S70 G71 V72 N77S70-K74 WeakPolarHBondContact O-CB 3.47Å; S70-K74 VanDerWaalsContact O-CG 3.24Å; S70-K74 WeakPolarHBondContact O-CG 3.36Å; S70-K74 PolarHBondContact O-N 2.94Å; G71-K74 PolarHBondContact O-N 3.14Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.22Å; K74-N77 WeakPolarHBondContact O-CB 3.36Å; K74-N77 PolarHBondContact O-N 2.86Å
75S74.9Confident73.5Confident38 Ų3851 Ų5127%0.26629%0.285SS..Hα-helixtrans-73.7-31.8178.174.60000113.1G71 V72 N77 Y78 N362G71-S75 PolarHBondContact O-N 3.02Å; V72-S75 WeakPolarHBondContact CA-OG 3.49Å; V72-S75 CarbonylContact O-C 3.5Å; V72-S75 WeakPolarHBondContact O-CA 3.2Å; V72-S75 PolarHBondContact O-N 3.41Å; V72-S75 PolarHBondContact O-OG 2.77Å; S75-N77 PolarHBondContact O-N 3.06Å; S75-Y78 PolarHBondContact O-OH 3.35Å; S75-N362 PolarHBondContact OG-ND2 3.04Å
76L71.1Confident72.9Confident4 Ų452.9 Ų52.92%0.02129%0.293CS..THydrogen-bonded Turntrans-84.812.4176-65.1-177.9000112.9F30 V72 M73 Y78 D359 L366F30-L76 HydrophobicContact CD1-CD1 3.5Å; F30-L76 VanDerWaalsContact CD1-CD1 3.5Å; F30-L76 HydrophobicContact CE1-CD1 3.08Å; F30-L76 HydrophobicContact CZ-CD1 3.91Å; V72-L76 HydrophobicContact CG1-CD1 3.6Å; V72-L76 HydrophobicContact CG1-CG 3.88Å; V72-L76 WeakPolarHBondContact O-CB 3.32Å; V72-L76 WeakPolarHBondContact O-CG 3.38Å; V72-L76 PolarHBondContact O-N 2.84Å; M73-L76 PolarHBondContact O-N 3.35Å; L76-Y78 HydrophobicContact CB-CD2 4.29Å; L76-Y78 HydrophobicContact CB-CE2 4.4Å; L76-Y78 HydrophobicContact CD2-CD2 3.98Å; L76-Y78 HydrophobicContact CD2-CE2 3.47Å; L76-Y78 VanDerWaalsContact CD2-CE2 3.47Å; L76-Y78 HydrophobicContact CG-CE2 4.48Å; L76-Y78 PolarHBondContact O-N 2.89Å; L76-D359 HydrophobicContact CD2-CB 4.3Å; L76-D359 WeakPolarHBondContact CD2-OD2 3.31Å; L76-L366 HydrophobicContact CD1-CD2 3.97Å; L76-L366 HydrophobicContact CD2-CD1 4.43Å; L76-L366 HydrophobicContact CD2-CD2 4Å
77N63.2Low72.5Confident114 Ų11452.2 Ų52.261%0.6129%0.29SS*.  trans-71.658.4174.1-16517.8000110.7M73 K74 S75 S79M73-N77 PolarHBondContact O-N 2.61Å; K74-N77 WeakPolarHBondContact O-CB 3.36Å; K74-N77 PolarHBondContact O-N 2.86Å; S75-N77 PolarHBondContact O-N 3.06Å; N77-S79 VanDerWaalsContact C-N 3.35Å; N77-S79 PolarHBondContact O-N 3.05Å
78Y55.4Low72.2Confident10 Ų1050.2 Ų50.24%0.03927%0.271CS..  trans-93.664.7-179.5-61.6-54.5000108.4S75 L76 Y85 L87 K223 L224 D359S75-Y78 PolarHBondContact O-OH 3.35Å; L76-Y78 HydrophobicContact CB-CD2 4.29Å; L76-Y78 HydrophobicContact CB-CE2 4.4Å; L76-Y78 HydrophobicContact CD2-CD2 3.98Å; L76-Y78 HydrophobicContact CD2-CE2 3.47Å; L76-Y78 VanDerWaalsContact CD2-CE2 3.47Å; L76-Y78 HydrophobicContact CG-CE2 4.48Å; L76-Y78 PolarHBondContact O-N 2.89Å; Y78-Y85 HydrophobicContact CD1-CE1 4.48Å; Y78-Y85 HydrophobicContact CD1-CE2 4.21Å; Y78-Y85 AromaticContact CD1-CZ 3.93Å; Y78-Y85 HydrophobicContact CG-CE2 4.21Å; Y78-Y85 WeakPolarHBondContact O-CD2 3.43Å; Y78-Y85 WeakPolarHBondContact O-CE2 3.39Å; Y78-L87 HydrophobicContact CD2-CD2 3.91Å; Y78-L87 HydrophobicContact CG-CD2 4.49Å; Y78-L87 VanDerWaalsContact O-CB 3.23Å; Y78-L87 WeakPolarHBondContact O-CB 3.39Å; Y78-L87 PolarHBondContact O-N 3.32Å; Y78-L87 VanDerWaalsContact O-N 3.11Å; Y78-K223 HydrophobicContact CE1-CD 4.07Å; Y78-K223 WeakPolarHBondContact OH-CD 3.35Å; Y78-L224 HydrophobicContact CE2-CD2 4.14Å; Y78-D359 PolarHBondContact OH-OD2 3.29Å
79S55.1Low72.2Confident71 Ų7149.7 Ų49.750%0.49727%0.268SS..EExtended strand (participates in β ladder)trans-123.280.6161.259.90000110.4N77N77-S79 VanDerWaalsContact C-N 3.35Å; N77-S79 PolarHBondContact O-N 3.05Å
80N54.2Low72.2Confident58 Ų5849.6 Ų49.631%0.3127%0.267SS..EExtended strand (participates in β ladder)trans-143.897.6170.8-170.912.8000110K82 D83 Y85N80-K82 PolarHBondContact O-N 3.3Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 WeakPolarHBondContact OD1-CB 3.34Å; N80-K82 PolarHBondContact OD1-N 2.98Å; N80-D83 PolarHBondContact ND2-OD1 3.36Å; N80-D83 PolarHBondContact ND2-OD2 2.93Å; N80-D83 PolarHBondContact O-N 3.5Å; N80-Y85 CarbonylContact C-O 3.37Å
81T57.2Low72.2Confident91 Ų9149.6 Ų49.656%0.55827%0.267SS*.G310 helixtrans-58.2-24.117848.70000112.8D83 G84 E86T81-D83 PolarHBondContact O-N 3.09Å; T81-G84 PolarHBondContact O-N 2.91Å; T81-E86 HydrophobicContact CG2-CG 3.74Å
82K57.8Low72.6Confident188 Ų18849.9 Ų49.982%0.81726%0.256SS*.G310 helixtrans-64.4-26.1176-65.3-174.6175.5-1780113N80 G84N80-K82 PolarHBondContact O-N 3.3Å; N80-K82 VanDerWaalsContact O-N 3.09Å; N80-K82 WeakPolarHBondContact OD1-CB 3.34Å; N80-K82 PolarHBondContact OD1-N 2.98Å; K82-G84 VanDerWaalsContact C-N 3.3Å
83D63Low73.3Confident78 Ų7849.7 Ų49.742%0.41726%0.255SS..G310 helixtrans-93.410-179.3-58.4-24.4000112N80 T81 Y85 V220N80-D83 PolarHBondContact ND2-OD1 3.36Å; N80-D83 PolarHBondContact ND2-OD2 2.93Å; N80-D83 PolarHBondContact O-N 3.5Å; T81-D83 PolarHBondContact O-N 3.09Å; D83-Y85 HydrophobicContact CB-CD1 3.87Å; D83-Y85 HydrophobicContact CB-CE1 3.38Å; D83-V220 WeakPolarHBondContact O-CG1 3.33Å
84G70.1Confident74.1Confident12 Ų1248.2 Ų48.212%0.12425%0.247CC..THydrogen-bonded Turntrans74.430.6177.600000114.6T81 K82 D170T81-G84 PolarHBondContact O-N 2.91Å; K82-G84 VanDerWaalsContact C-N 3.3Å; G84-D170 WeakPolarHBondContact CA-OD2 3.47Å; G84-D170 VanDerWaalsContact O-CA 3.25Å; G84-D170 WeakPolarHBondContact O-CA 3.17Å; G84-D170 WeakPolarHBondContact O-CB 3.47Å; G84-D170 PolarHBondContact O-N 3.17Å
85Y75.3Confident74.9Confident20 Ų2041 Ų418%0.07822%0.216CC..EExtended strand (participates in β ladder)trans-147.6155.617165.7-95.3000112.5Y78 N80 D83 K168 T221Y78-Y85 HydrophobicContact CD1-CE1 4.48Å; Y78-Y85 HydrophobicContact CD1-CE2 4.21Å; Y78-Y85 AromaticContact CD1-CZ 3.93Å; Y78-Y85 HydrophobicContact CG-CE2 4.21Å; Y78-Y85 WeakPolarHBondContact O-CD2 3.43Å; Y78-Y85 WeakPolarHBondContact O-CE2 3.39Å; N80-Y85 CarbonylContact C-O 3.37Å; D83-Y85 HydrophobicContact CB-CD1 3.87Å; D83-Y85 HydrophobicContact CB-CE1 3.38Å; Y85-K168 CarbonylContact C-O 3.51Å; Y85-K168 WeakPolarHBondContact CA-O 3.22Å; Y85-T221 HydrophobicContact CD1-CG2 3.11Å; Y85-T221 HydrophobicContact CE1-CG2 3.31Å; Y85-T221 HydrophobicContact CG-CG2 4.09Å
86E78.4Confident75.9Confident39 Ų3940.2 Ų40.218%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-132.2105.2174.8-67.1-176.4-111.500108.5T81 Y88 Y166 F167 K168T81-E86 HydrophobicContact CG2-CG 3.74Å; E86-Y88 HydrophobicContact CB-CE2 3.91Å; E86-Y88 HydrophobicContact CG-CE2 4.33Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.49Å; E86-Y88 PolarHBondContact OE2-OH 3.37Å; E86-Y166 HydrophobicContact CB-CD1 4.41Å; E86-Y166 HydrophobicContact CB-CE1 3.92Å; E86-F167 WeakPolarHBondContact O-CA 3.46Å; E86-K168 HydrophobicContact CB-CB 4.43Å; E86-K168 PolarHBondContact N-O 3Å; E86-K168 PolarHBondContact O-N 2.95Å
87L80.7Confident76.9Confident8 Ų840.8 Ų40.84%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-115110.5166.6179.867.3000108.7Y78 I89 I165 Y166 F167Y78-L87 HydrophobicContact CD2-CD2 3.91Å; Y78-L87 HydrophobicContact CG-CD2 4.49Å; Y78-L87 VanDerWaalsContact O-CB 3.23Å; Y78-L87 WeakPolarHBondContact O-CB 3.39Å; Y78-L87 PolarHBondContact O-N 3.32Å; Y78-L87 VanDerWaalsContact O-N 3.11Å; L87-I89 HydrophobicContact CD1-CG1 4.28Å; L87-I89 HydrophobicContact CD2-CD1 4.18Å; L87-I89 HydrophobicContact CD2-CG1 4.47Å; L87-I89 HydrophobicContact CG-CD1 4.32Å; L87-I89 HydrophobicContact CG-CG1 4.07Å; L87-I165 HydrophobicContact CD1-CD1 3.91Å; L87-I165 HydrophobicContact CD1-CG1 3.93Å; L87-Y166 WeakPolarHBondContact CA-O 3.31Å; L87-F167 HydrophobicContact CB-CD2 4.37Å; L87-F167 HydrophobicContact CD1-CB 4.2Å; L87-F167 HydrophobicContact CD1-CD2 4.02Å
88Y82.3Confident78.1Confident33 Ų3343 Ų4313%0.12922%0.219CC..EExtended strand (participates in β ladder)trans-110.8123.4173.3-53-61.4000109E86 K141 I165 Y166E86-Y88 HydrophobicContact CB-CE2 3.91Å; E86-Y88 HydrophobicContact CG-CE2 4.33Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.49Å; E86-Y88 PolarHBondContact OE2-OH 3.37Å; Y88-K141 HydrophobicContact CD1-CG 4.31Å; Y88-K141 HydrophobicContact CE1-CG 3.82Å; Y88-K141 HydrophobicContact CE2-CB 4.23Å; Y88-K141 HydrophobicContact CE2-CG 4.07Å; Y88-I165 VanDerWaalsContact O-CA 3.31Å; Y88-I165 WeakPolarHBondContact O-CA 3.31Å; Y88-Y166 AromaticContact CD2-CD1 3.56Å; Y88-Y166 HydrophobicContact CD2-CD1 3.56Å; Y88-Y166 HydrophobicContact CD2-CE1 4.23Å; Y88-Y166 HydrophobicContact CD2-CG 4.24Å; Y88-Y166 AromaticContact CE2-CD1 3.96Å; Y88-Y166 HydrophobicContact CE2-CD1 3.96Å; Y88-Y166 HydrophobicContact CE2-CE1 4.16Å; Y88-Y166 PolarHBondContact N-O 3.1Å; Y88-Y166 PolarHBondContact O-N 3.24Å
89I82.5Confident79.8Confident37 Ų3744 Ų4419%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-118.6118.2176.3-46.2-177.9000108.2S31 M73 L87 N91 I165S31-I89 WeakPolarHBondContact OG-CG2 3.45Å; M73-I89 HydrophobicContact CE-CD1 4.5Å; L87-I89 HydrophobicContact CD1-CG1 4.28Å; L87-I89 HydrophobicContact CD2-CD1 4.18Å; L87-I89 HydrophobicContact CD2-CG1 4.47Å; L87-I89 HydrophobicContact CG-CD1 4.32Å; L87-I89 HydrophobicContact CG-CG1 4.07Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.13Å; I89-I165 HydrophobicContact CD1-CD1 4.33Å; I89-I165 HydrophobicContact CG1-CD1 4.12Å; I89-I165 HydrophobicContact CG1-CG1 4.09Å
90A84.9Confident81.6Confident1 Ų147.6 Ų47.61%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-109100.6176.300000109.4W135 K139 T140 N163 A164A90-W135 HydrophobicContact CB-CH2 3.99Å; A90-W135 HydrophobicContact CB-CZ3 3.79Å; A90-K139 HydrophobicContact CB-CB 3.75Å; A90-T140 HydrophobicContact CB-CG2 4.12Å; A90-N163 WeakPolarHBondContact O-CA 3.34Å; A90-A164 HydrophobicContact CB-CB 4.25Å; A90-A164 PolarHBondContact N-O 3.48Å; A90-A164 PolarHBondContact O-N 3.07Å
91N85.8Confident83.6Confident13 Ų1346.2 Ų46.27%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-115.7119.9-179.9-82.1-45.7000110.2I34 M38 I89 A115 N163I34-N91 HydrophobicContact CG2-CB 4.48Å; I34-N91 VanDerWaalsContact CG2-ND2 3.26Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.47Å; M38-N91 HydrophobicContact CE-CB 3.71Å; M38-N91 HydrophobicContact SD-CB 4.41Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.13Å; N91-A115 HydrophobicContact CB-CB 4.25Å; N91-N163 PolarHBondContact OD1-ND2 3.42Å
92R92.4Very high85.5Confident45 Ų4544.5 Ų44.517%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-152.4148.4175.3-178.8159.9-73.2-166.60.3111.9F94 E118 W135 T162R92-F94 HydrophobicContact CB-CD2 4.39Å; R92-F94 HydrophobicContact CB-CE2 3.83Å; R92-F94 HydrophobicContact CB-CZ 4.18Å; R92-F94 HydrophobicContact CG-CD1 4.39Å; R92-F94 HydrophobicContact CG-CD2 4.03Å; R92-F94 HydrophobicContact CG-CE1 4.08Å; R92-F94 HydrophobicContact CG-CE2 3.68Å; R92-F94 HydrophobicContact CG-CG 4.39Å; R92-F94 HydrophobicContact CG-CZ 3.73Å; R92-E118 IonicContact CZ-OE2 2.95Å; R92-E118 IonicContact NH1-OE2 3.8Å; R92-E118 PolarHBondContact NH1-OE2 3.07Å; R92-W135 HydrophobicContact CB-CE3 4.41Å; R92-W135 HydrophobicContact CB-CH2 3.41Å; R92-W135 VanDerWaalsContact CB-CH2 3.41Å; R92-W135 HydrophobicContact CB-CZ2 3.87Å; R92-W135 HydrophobicContact CB-CZ3 3.71Å; R92-W135 HydrophobicContact CG-CH2 4.42Å; R92-W135 HydrophobicContact CG-CZ2 4.45Å; R92-W135 VanDerWaalsContact CZ-CE2 3.44Å; R92-W135 VanDerWaalsContact NE-CZ2 3.28Å; R92-T162 PolarHBondContact N-O 3.04Å; R92-T162 PolarHBondContact O-N 3.28Å; R92-T162 PolarHBondContact O-OG1 2.91Å
93L95.8Very high87.4Confident0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-94.7132.8162.8-72.5168.1000108.5M38 F105 D116 I117 E118 L159 L161M38-L93 HydrophobicContact CB-CD1 4.38Å; L93-F105 HydrophobicContact CD1-CE1 4.15Å; L93-F105 HydrophobicContact CD1-CZ 3.61Å; L93-D116 PolarHBondContact N-O 2.94Å; L93-D116 VanDerWaalsContact N-O 3.12Å; L93-I117 HydrophobicContact CB-CB 3.96Å; L93-I117 HydrophobicContact CB-CD1 4.2Å; L93-I117 HydrophobicContact CB-CG1 3.88Å; L93-I117 CarbonylContact O-C 3.55Å; L93-I117 VanDerWaalsContact O-CA 3.26Å; L93-I117 WeakPolarHBondContact O-CA 3.12Å; L93-E118 PolarHBondContact O-N 3.27Å; L93-L159 HydrophobicContact CB-CD1 4.25Å; L93-L159 HydrophobicContact CD2-CD1 4.18Å; L93-L159 HydrophobicContact CD2-CD2 4.35Å; L93-L159 HydrophobicContact CD2-CG 4.28Å; L93-L161 HydrophobicContact CD2-CB 4.29Å; L93-L161 HydrophobicContact CD2-CD1 3.56Å; L93-L161 HydrophobicContact CG-CD1 4.27Å
94F97Very high89Confident0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-113.6112169.9-66.6-85.2000108.7R92 E118 L120 F122 I132 W135 L159 I160 T162R92-F94 HydrophobicContact CB-CD2 4.39Å; R92-F94 HydrophobicContact CB-CE2 3.83Å; R92-F94 HydrophobicContact CB-CZ 4.18Å; R92-F94 HydrophobicContact CG-CD1 4.39Å; R92-F94 HydrophobicContact CG-CD2 4.03Å; R92-F94 HydrophobicContact CG-CE1 4.08Å; R92-F94 HydrophobicContact CG-CE2 3.68Å; R92-F94 HydrophobicContact CG-CG 4.39Å; R92-F94 HydrophobicContact CG-CZ 3.73Å; F94-E118 CarbonylContact C-O 3.6Å; F94-E118 VanDerWaalsContact CA-O 3.31Å; F94-E118 WeakPolarHBondContact CA-O 3.36Å; F94-E118 HydrophobicContact CD1-CB 3.87Å; F94-E118 HydrophobicContact CD1-CG 4.27Å; F94-E118 HydrophobicContact CE1-CB 4Å; F94-E118 HydrophobicContact CE1-CG 4.27Å; F94-E118 VanDerWaalsContact CE1-OE2 3.29Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.14Å; F94-L120 HydrophobicContact CB-CD1 4.4Å; F94-L120 HydrophobicContact CD1-CD1 3.47Å; F94-L120 VanDerWaalsContact CD1-CD1 3.47Å; F94-L120 HydrophobicContact CD1-CG 4.04Å; F94-L120 HydrophobicContact CE1-CD1 4.01Å; F94-L120 HydrophobicContact CG-CD1 4.21Å; F94-F122 HydrophobicContact CB-CE1 4.49Å; F94-F122 HydrophobicContact CB-CZ 3.99Å; F94-F122 WeakPolarHBondContact O-CZ 3.47Å; F94-I132 HydrophobicContact CB-CD1 4.05Å; F94-I132 HydrophobicContact CB-CG1 4.5Å; F94-I132 HydrophobicContact CD1-CD1 4.29Å; F94-I132 HydrophobicContact CD1-CG1 3.82Å; F94-I132 HydrophobicContact CD2-CD1 3.98Å; F94-I132 HydrophobicContact CD2-CG1 3.84Å; F94-I132 HydrophobicContact CD2-CG2 4.08Å; F94-I132 HydrophobicContact CE1-CG1 3.83Å; F94-I132 HydrophobicContact CE2-CB 4.24Å; F94-I132 HydrophobicContact CE2-CD1 4.47Å; F94-I132 HydrophobicContact CE2-CG1 3.86Å; F94-I132 HydrophobicContact CE2-CG2 3.63Å; F94-I132 HydrophobicContact CG-CD1 3.86Å; F94-I132 HydrophobicContact CG-CG1 3.8Å; F94-I132 HydrophobicContact CZ-CB 4.27Å; F94-I132 HydrophobicContact CZ-CG1 3.84Å; F94-I132 HydrophobicContact CZ-CG2 4.05Å; F94-W135 HydrophobicContact CE2-CE3 4.26Å; F94-W135 HydrophobicContact CZ-CB 4.49Å; F94-W135 HydrophobicContact CZ-CD2 4.07Å; F94-W135 AromaticContact CZ-CE3 3.95Å; F94-W135 HydrophobicContact CZ-CE3 3.95Å; F94-W135 HydrophobicContact CZ-CG 4.3Å; F94-L159 CarbonylContact O-C 3.49Å; F94-L159 WeakPolarHBondContact O-CA 3.29Å; F94-I160 HydrophobicContact CB-CB 4.33Å; F94-I160 PolarHBondContact N-O 3Å; F94-I160 PolarHBondContact O-N 3.23Å; F94-T162 HydrophobicContact CD2-CG2 3.85Å; F94-T162 HydrophobicContact CE2-CG2 3.9Å; F94-T162 WeakPolarHBondContact CE2-OG1 3.44Å
95G95.5Very high90.3Very high0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-96.7158177.400000111.8E118 L119 L120 F122 R158G95-E118 PolarHBondContact N-O 2.87Å; G95-L119 WeakPolarHBondContact O-CA 3.14Å; G95-L120 PolarHBondContact O-N 3.37Å; G95-F122 VanDerWaalsContact C-CE2 3.47Å; G95-R158 CarbonylContact C-O 3.43Å; G95-R158 WeakPolarHBondContact CA-O 3.28Å
96Q95.2Very high91.4Very high22 Ų2245.7 Ų45.710%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-59.2150.5169.3175.855.87.100110.5L99 L120 F122 R158Q96-L99 HydrophobicContact CB-CD1 4.38Å; Q96-L99 HydrophobicContact CB-CG 4.48Å; Q96-L99 WeakPolarHBondContact O-CD1 3.38Å; Q96-L99 WeakPolarHBondContact O-CG 3.3Å; Q96-L120 CarbonylContact C-O 3.52Å; Q96-L120 WeakPolarHBondContact CA-O 3.36Å; Q96-L120 PolarHBondContact OE1-O 2.75Å; Q96-F122 HydrophobicContact CB-CD2 3.94Å; Q96-F122 HydrophobicContact CB-CE2 4.3Å; Q96-F122 VanDerWaalsContact OE1-CB 3.22Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.29Å; Q96-R158 PolarHBondContact N-O 3.32Å
97S92.5Very high92.2Very high17 Ų1749.5 Ų49.512%0.11924%0.238CC..THydrogen-bonded Turntrans-52160.8171.156.90000111.9L99 L120S97-L99 PolarHBondContact O-N 2.9Å; S97-L120 PolarHBondContact N-O 2.87Å
98E89Confident92.9Very high161 Ų16150.1 Ų50.175%0.75224%0.243SC*.THydrogen-bonded Turntrans62.6-2.4-178.7-54.177.7-139.800116.9Q100E98-Q100 PolarHBondContact O-N 2.89Å
99L90.8Very high93.5Very high29 Ų2948.5 Ų48.515%0.15224%0.237CC..  trans-62124.9173.4-68.8176.2000110.7Q96 S97 V101 L119 T300 L305Q96-L99 HydrophobicContact CB-CD1 4.38Å; Q96-L99 HydrophobicContact CB-CG 4.48Å; Q96-L99 WeakPolarHBondContact O-CD1 3.38Å; Q96-L99 WeakPolarHBondContact O-CG 3.3Å; S97-L99 PolarHBondContact O-N 2.9Å; L99-V101 PolarHBondContact O-N 2.84Å; L99-L119 HydrophobicContact CB-CD1 4.37Å; L99-L119 HydrophobicContact CB-CD2 3.98Å; L99-L119 HydrophobicContact CD1-CD2 4.33Å; L99-L119 WeakPolarHBondContact O-CD1 3.23Å; L99-T300 HydrophobicContact CB-CG2 4.34Å; L99-T300 HydrophobicContact CD2-CG2 4.2Å; L99-L305 HydrophobicContact CD1-CD1 3.8Å; L99-L305 HydrophobicContact CD1-CD2 4.49Å; L99-L305 HydrophobicContact CD2-CD1 4.26Å
100Q92.9Very high94Very high148 Ų14851 Ų5169%0.69225%0.247SC*.  trans-80.687.6173.4-68.8-176.8-9.700109.7E98 L102 T300E98-Q100 PolarHBondContact O-N 2.89Å; Q100-L102 PolarHBondContact O-N 2.92Å; Q100-T300 VanDerWaalsContact O-CA 3.28Å; Q100-T300 WeakPolarHBondContact O-CA 3.29Å
101V96.7Very high94.3Very high28 Ų2855.8 Ų55.817%0.1727%0.269CS..  trans-69.4125.1178179.30000110.3L99 F105 R106 I117 L119 I299L99-V101 PolarHBondContact O-N 2.84Å; V101-F105 HydrophobicContact CG1-CD1 4Å; V101-R106 HydrophobicContact CG1-CB 4.27Å; V101-I117 HydrophobicContact CB-CG2 4.38Å; V101-I117 HydrophobicContact CG1-CG2 3.55Å; V101-I117 HydrophobicContact CG2-CD1 4.12Å; V101-I117 HydrophobicContact CG2-CG2 3.98Å; V101-L119 HydrophobicContact CG2-CD1 4.34Å; V101-L119 HydrophobicContact CG2-CD2 3.89Å; V101-L119 HydrophobicContact CG2-CG 4.46Å; V101-I299 WeakPolarHBondContact CA-O 3.48Å
102L97.9Very high94.5Very high55 Ų5557.1 Ų57.129%0.28828%0.275SS..  trans-64.6129.6176.4-67.4178.2000110.8Q100 E104 F105 R106 I299Q100-L102 PolarHBondContact O-N 2.92Å; L102-E104 PolarHBondContact O-N 3.33Å; L102-F105 HydrophobicContact CB-CB 4.3Å; L102-F105 WeakPolarHBondContact O-CB 3.41Å; L102-F105 PolarHBondContact O-N 2.92Å; L102-F105 VanDerWaalsContact O-N 3.12Å; L102-R106 PolarHBondContact O-N 3.03Å; L102-I299 PolarHBondContact N-O 3.09Å
103P97.6Very high94.3Very high94 Ų9455 Ų5561%0.6127%0.267SS*.Hα-helixtrans-56.1-36.4178.2-26.735.2000113.3F105 R106 K107P103-F105 VanDerWaalsContact C-N 3.33Å; P103-F105 PolarHBondContact O-N 3.15Å; P103-R106 PolarHBondContact O-N 2.84Å; P103-K107 VanDerWaalsContact O-CB 3.25Å; P103-K107 WeakPolarHBondContact O-CB 3.43Å; P103-K107 PolarHBondContact O-N 3.26Å
104E96.5Very high93.8Very high132 Ų13259 Ų5962%0.61730%0.295SS*.Hα-helixtrans-64.4-38.8179.5-59.577.9-170.700111.7L102 C108L102-E104 PolarHBondContact O-N 3.33Å; E104-C108 VanDerWaalsContact O-CB 3.26Å; E104-C108 WeakPolarHBondContact O-CB 3.38Å; E104-C108 PolarHBondContact O-N 2.71Å
105F97.3Very high93.3Very high6 Ų659.5 Ų59.53%0.02630%0.299CS..Hα-helixtrans-65.6-52.5176.4172.1-103000111.2M38 V41 L93 V101 L102 P103 K107 C108 I109 I117 K298 I299M38-F105 WeakPolarHBondContact O-CE2 3.44Å; V41-F105 HydrophobicContact CB-CD2 4.34Å; V41-F105 HydrophobicContact CB-CE2 4.14Å; V41-F105 HydrophobicContact CG1-CD2 3.85Å; V41-F105 HydrophobicContact CG1-CE2 4.13Å; L93-F105 HydrophobicContact CD1-CE1 4.15Å; L93-F105 HydrophobicContact CD1-CZ 3.61Å; V101-F105 HydrophobicContact CG1-CD1 4Å; L102-F105 HydrophobicContact CB-CB 4.3Å; L102-F105 WeakPolarHBondContact O-CB 3.41Å; L102-F105 PolarHBondContact O-N 2.92Å; L102-F105 VanDerWaalsContact O-N 3.12Å; P103-F105 VanDerWaalsContact C-N 3.33Å; P103-F105 PolarHBondContact O-N 3.15Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 3.49Å; F105-C108 PolarHBondContact O-N 3.37Å; F105-I109 HydrophobicContact CD1-CD1 4.45Å; F105-I109 HydrophobicContact CD2-CG2 4.42Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE2-CG2 3.85Å; F105-I109 HydrophobicContact CZ-CD1 4.02Å; F105-I109 HydrophobicContact CZ-CG2 3.95Å; F105-I109 PolarHBondContact O-N 2.91Å; F105-I117 HydrophobicContact CD1-CG2 4.33Å; F105-I117 HydrophobicContact CE1-CB 4.31Å; F105-I117 HydrophobicContact CE1-CD1 4.34Å; F105-I117 HydrophobicContact CE1-CG2 4.01Å; F105-K298 VanDerWaalsContact CB-O 3.31Å; F105-K298 WeakPolarHBondContact CB-O 3.14Å; F105-I299 HydrophobicContact CD1-CB 4.44Å; F105-I299 HydrophobicContact CD1-CG1 4.38Å; F105-I299 HydrophobicContact CD1-CG2 4.01Å; F105-I299 HydrophobicContact CD2-CG1 4.12Å; F105-I299 HydrophobicContact CE1-CB 4.5Å; F105-I299 HydrophobicContact CE1-CD1 4.4Å; F105-I299 HydrophobicContact CE1-CG1 4.13Å; F105-I299 HydrophobicContact CE1-CG2 3.95Å; F105-I299 HydrophobicContact CE2-CD1 4.34Å; F105-I299 HydrophobicContact CE2-CG1 3.89Å; F105-I299 HydrophobicContact CG-CG1 4.38Å; F105-I299 HydrophobicContact CZ-CD1 4Å; F105-I299 HydrophobicContact CZ-CG1 3.88Å
106R97.1Very high93.2Very high91 Ų9161.2 Ų61.234%0.34331%0.308SS..Hα-helixtrans-57.1-48.2178.9174.2172.2-82.9163.82.2110.9V101 L102 P103 C108 I109 Q110 D116 I117V101-R106 HydrophobicContact CG1-CB 4.27Å; L102-R106 PolarHBondContact O-N 3.03Å; P103-R106 PolarHBondContact O-N 2.84Å; R106-C108 VanDerWaalsContact C-N 3.32Å; R106-C108 PolarHBondContact O-N 3.28Å; R106-I109 VanDerWaalsContact O-CG1 3.26Å; R106-I109 WeakPolarHBondContact O-CG1 3.47Å; R106-I109 PolarHBondContact O-N 3.27Å; R106-Q110 HydrophobicContact CG-CG 4.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.17Å; R106-Q110 VanDerWaalsContact O-CG 3.27Å; R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 3.2Å; R106-D116 IonicContact CZ-OD1 2.91Å; R106-D116 IonicContact NE-OD1 2.8Å; R106-D116 PolarHBondContact NE-OD1 3.23Å; R106-D116 IonicContact NH2-OD1 3.76Å; R106-I117 PolarHBondContact NH2-O 3.07Å
107K96.7Very high93.2Very high119 Ų11960.2 Ų60.252%0.51730%0.304SS..Hα-helixtrans-56.5-47.2177.2-177.9179.1176.7-178.10111.4P103 F105 I109 Q110 E111P103-K107 VanDerWaalsContact O-CB 3.25Å; P103-K107 WeakPolarHBondContact O-CB 3.43Å; P103-K107 PolarHBondContact O-N 3.26Å; F105-K107 VanDerWaalsContact C-N 3.33Å; F105-K107 PolarHBondContact O-N 3.49Å; K107-I109 PolarHBondContact O-N 2.93Å; K107-Q110 PolarHBondContact O-N 3.39Å; K107-E111 VanDerWaalsContact CE-CD 3.49Å; K107-E111 WeakPolarHBondContact CE-OE1 3.41Å; K107-E111 HydrophobicContact CG-CG 4.29Å; K107-E111 IonicContact NZ-OE1 3.91Å; K107-E111 WeakPolarHBondContact O-CB 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.32Å; K107-E111 PolarHBondContact O-N 3.47Å
108C95.4Very high93.4Very high21 Ų2161.6 Ų61.614%0.14231%0.308CS..Hα-helixtrans-61.6-44-179-1740000112.8V41 N66 E104 F105 R106 H112V41-C108 HydrophobicContact CG1-CB 3.85Å; V41-C108 WeakPolarHBondContact CG1-SG 3.27Å; N66-C108 PolarHBondContact ND2-SG 3.49Å; E104-C108 VanDerWaalsContact O-CB 3.26Å; E104-C108 WeakPolarHBondContact O-CB 3.38Å; E104-C108 PolarHBondContact O-N 2.71Å; F105-C108 PolarHBondContact O-N 3.37Å; R106-C108 VanDerWaalsContact C-N 3.32Å; R106-C108 PolarHBondContact O-N 3.28Å; C108-H112 WeakPolarHBondContact O-CB 3.3Å; C108-H112 PolarHBondContact O-CD2 3.16Å; C108-H112 PolarHBondContact O-N 3Å
109I94.4Very high93.7Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-72.3-32.7179.363.8171.7000112.5M38 V41 F105 R106 K107 Y113 S114 A115 I117M38-I109 HydrophobicContact CB-CG2 4.06Å; M38-I109 HydrophobicContact CG-CB 4.43Å; M38-I109 HydrophobicContact CG-CG2 4.32Å; V41-I109 HydrophobicContact CB-CG2 4.3Å; V41-I109 HydrophobicContact CG1-CG2 4.38Å; F105-I109 HydrophobicContact CD1-CD1 4.45Å; F105-I109 HydrophobicContact CD2-CG2 4.42Å; F105-I109 HydrophobicContact CE1-CD1 3.8Å; F105-I109 HydrophobicContact CE2-CG2 3.85Å; F105-I109 HydrophobicContact CZ-CD1 4.02Å; F105-I109 HydrophobicContact CZ-CG2 3.95Å; F105-I109 PolarHBondContact O-N 2.91Å; R106-I109 VanDerWaalsContact O-CG1 3.26Å; R106-I109 WeakPolarHBondContact O-CG1 3.47Å; R106-I109 PolarHBondContact O-N 3.27Å; K107-I109 PolarHBondContact O-N 2.93Å; I109-Y113 CarbonylContact O-C 3.6Å; I109-Y113 WeakPolarHBondContact O-CA 3.38Å; I109-Y113 WeakPolarHBondContact O-CB 3.41Å; I109-Y113 PolarHBondContact O-N 2.79Å; I109-S114 PolarHBondContact O-N 2.99Å; I109-A115 CarbonylContact C-O 3.6Å; I109-A115 PolarHBondContact O-N 3.42Å; I109-I117 HydrophobicContact CD1-CB 4.38Å; I109-I117 HydrophobicContact CD1-CG2 4.41Å
110Q92.8Very high94Very high88 Ų8856.5 Ų56.541%0.41129%0.286SS..Hα-helixtrans-66.4-45.4174.1-72.8173.5-18.600111.4R106 K107 S114 A115 D116R106-Q110 HydrophobicContact CG-CG 4.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.17Å; R106-Q110 VanDerWaalsContact O-CG 3.27Å; R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 3.2Å; K107-Q110 PolarHBondContact O-N 3.39Å; Q110-S114 PolarHBondContact O-N 3.29Å; Q110-A115 VanDerWaalsContact CA-O 3.26Å; Q110-A115 WeakPolarHBondContact CA-O 3.45Å; Q110-A115 WeakPolarHBondContact CG-O 3.35Å; Q110-A115 PolarHBondContact N-O 2.99Å; Q110-D116 PolarHBondContact NE2-OD2 2.85Å
111E91.3Very high94.2Very high102 Ų10252 Ų5248%0.47727%0.266SS..Hα-helixtrans-72.7-39.6-177.3-73.2178.1166.100113.5S70 K107S70-E111 PolarHBondContact OG-O 2.79Å; K107-E111 VanDerWaalsContact CE-CD 3.49Å; K107-E111 WeakPolarHBondContact CE-OE1 3.41Å; K107-E111 HydrophobicContact CG-CG 4.29Å; K107-E111 IonicContact NZ-OE1 3.91Å; K107-E111 WeakPolarHBondContact O-CB 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.32Å; K107-E111 PolarHBondContact O-N 3.47Å
112H90.4Very high94Very high41 Ų4150.6 Ų50.619%0.1926%0.258CS..Hα-helixtrans-103.9-22.5-170.5-62.9-66.5000114.8N66 M69 S70 C108N66-H112 HydrophobicContact CB-CB 4.23Å; N66-H112 PolarHBondContact O-ND1 3.25Å; M69-H112 CarbonylContact C-O 3.57Å; S70-H112 WeakPolarHBondContact CA-O 3.38Å; S70-H112 PolarHBondContact N-O 2.76Å; C108-H112 WeakPolarHBondContact O-CB 3.3Å; C108-H112 PolarHBondContact O-CD2 3.16Å; C108-H112 PolarHBondContact O-N 3Å
113Y86.9Confident93.8Very high2 Ų252.1 Ų52.11%0.00827%0.27CS..Hα-helixtrans-123.60.4-175-59.6-96.8000112.9I34 M38 V41 N66 M69 I109 A115I34-Y113 HydrophobicContact CG2-CD1 4.14Å; M38-Y113 HydrophobicContact CG-CD1 3.95Å; M38-Y113 HydrophobicContact CG-CD2 4.4Å; M38-Y113 HydrophobicContact CG-CG 3.73Å; V41-Y113 HydrophobicContact CG2-CE2 3.63Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.39Å; N66-Y113 PolarHBondContact OD1-OH 2.79Å; M69-Y113 HydrophobicContact CB-CD1 4.15Å; M69-Y113 HydrophobicContact CB-CE1 3.67Å; M69-Y113 HydrophobicContact CG-CD1 4.4Å; M69-Y113 HydrophobicContact CG-CE1 3.55Å; M69-Y113 HydrophobicContact SD-CE1 4.27Å; I109-Y113 CarbonylContact O-C 3.6Å; I109-Y113 WeakPolarHBondContact O-CA 3.38Å; I109-Y113 WeakPolarHBondContact O-CB 3.41Å; I109-Y113 PolarHBondContact O-N 2.79Å; Y113-A115 PolarHBondContact O-N 2.82Å
114S85.3Confident93.6Very high84 Ų8452.7 Ų52.759%0.58726%0.263SS*.SBendtrans5241-178-58.70000112.9I109 Q110I109-S114 PolarHBondContact O-N 2.99Å; Q110-S114 PolarHBondContact O-N 3.29Å
115A88.3Confident93.5Very high9 Ų948.8 Ų48.87%0.07425%0.25CC..  trans-140.7173.9-172.400000112M38 N91 I109 Q110 Y113M38-A115 HydrophobicContact CE-CB 4.26Å; M38-A115 HydrophobicContact CG-CB 4.31Å; M38-A115 HydrophobicContact SD-CB 3.06Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å; N91-A115 HydrophobicContact CB-CB 4.25Å; I109-A115 CarbonylContact C-O 3.6Å; I109-A115 PolarHBondContact O-N 3.42Å; Q110-A115 VanDerWaalsContact CA-O 3.26Å; Q110-A115 WeakPolarHBondContact CA-O 3.45Å; Q110-A115 WeakPolarHBondContact CG-O 3.35Å; Q110-A115 PolarHBondContact N-O 2.99Å; Y113-A115 PolarHBondContact O-N 2.82Å
116D92.1Very high93.3Very high37 Ų3754.6 Ų54.620%0.19828%0.28CS..EExtended strand (participates in β ladder)trans-143.8171.6-177.5-150.7-21.2000111.2L93 R106 Q110L93-D116 PolarHBondContact N-O 2.94Å; L93-D116 VanDerWaalsContact N-O 3.12Å; R106-D116 IonicContact CZ-OD1 2.91Å; R106-D116 IonicContact NE-OD1 2.8Å; R106-D116 PolarHBondContact NE-OD1 3.23Å; R106-D116 IonicContact NH2-OD1 3.76Å; Q110-D116 PolarHBondContact NE2-OD2 2.85Å
117I94.7Very high93.2Very high1 Ų156.1 Ų56.11%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-112126.8165.5-176.8167.4000110L93 V101 F105 R106 I109 L119 L159 I299L93-I117 HydrophobicContact CB-CB 3.96Å; L93-I117 HydrophobicContact CB-CD1 4.2Å; L93-I117 HydrophobicContact CB-CG1 3.88Å; L93-I117 CarbonylContact O-C 3.55Å; L93-I117 VanDerWaalsContact O-CA 3.26Å; L93-I117 WeakPolarHBondContact O-CA 3.12Å; V101-I117 HydrophobicContact CB-CG2 4.38Å; V101-I117 HydrophobicContact CG1-CG2 3.55Å; V101-I117 HydrophobicContact CG2-CD1 4.12Å; V101-I117 HydrophobicContact CG2-CG2 3.98Å; F105-I117 HydrophobicContact CD1-CG2 4.33Å; F105-I117 HydrophobicContact CE1-CB 4.31Å; F105-I117 HydrophobicContact CE1-CD1 4.34Å; F105-I117 HydrophobicContact CE1-CG2 4.01Å; R106-I117 PolarHBondContact NH2-O 3.07Å; I109-I117 HydrophobicContact CD1-CB 4.38Å; I109-I117 HydrophobicContact CD1-CG2 4.41Å; I117-L119 HydrophobicContact CG1-CD2 4.38Å; I117-L159 HydrophobicContact CD1-CD1 4.12Å; I117-I299 HydrophobicContact CD1-CG2 3.98Å
118E96.5Very high93.2Very high46 Ų4650.7 Ų50.722%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-110.9143.9175.7-177.7170.4-175.200110.1R92 L93 F94 G95 L120 H131R92-E118 IonicContact CZ-OE2 2.95Å; R92-E118 IonicContact NH1-OE2 3.8Å; R92-E118 PolarHBondContact NH1-OE2 3.07Å; L93-E118 PolarHBondContact O-N 3.27Å; F94-E118 CarbonylContact C-O 3.6Å; F94-E118 VanDerWaalsContact CA-O 3.31Å; F94-E118 WeakPolarHBondContact CA-O 3.36Å; F94-E118 HydrophobicContact CD1-CB 3.87Å; F94-E118 HydrophobicContact CD1-CG 4.27Å; F94-E118 HydrophobicContact CE1-CB 4Å; F94-E118 HydrophobicContact CE1-CG 4.27Å; F94-E118 VanDerWaalsContact CE1-OE2 3.29Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.14Å; G95-E118 PolarHBondContact N-O 2.87Å; E118-L120 HydrophobicContact CG-CD2 4.27Å; E118-H131 IonicContact OE1-CD2 3.18Å; E118-H131 IonicContact OE1-CE1 2.69Å; E118-H131 IonicContact OE1-NE2 3.52Å; E118-H131 PolarHBondContact OE1-NE2 3.49Å; E118-H131 IonicContact OE2-NE2 2.65Å
119L97.3Very high93.1Very high62 Ų6250.1 Ų50.133%0.32527%0.265SS..EExtended strand (participates in β ladder)trans-105.5125.2-178.5-55.1-176000109.8G95 L99 V101 I117G95-L119 WeakPolarHBondContact O-CA 3.14Å; L99-L119 HydrophobicContact CB-CD1 4.37Å; L99-L119 HydrophobicContact CB-CD2 3.98Å; L99-L119 HydrophobicContact CD1-CD2 4.33Å; L99-L119 WeakPolarHBondContact O-CD1 3.23Å; V101-L119 HydrophobicContact CG2-CD1 4.34Å; V101-L119 HydrophobicContact CG2-CD2 3.89Å; V101-L119 HydrophobicContact CG2-CG 4.46Å; I117-L119 HydrophobicContact CG1-CD2 4.38Å
120L96.4Very high93.2Very high20 Ų2056.2 Ų56.211%0.10529%0.292CS..EExtended strand (participates in β ladder)trans-129.1149-179.2-59.6177.7000110.2F94 G95 Q96 S97 E118 F122 A128 I132F94-L120 HydrophobicContact CB-CD1 4.4Å; F94-L120 HydrophobicContact CD1-CD1 3.47Å; F94-L120 VanDerWaalsContact CD1-CD1 3.47Å; F94-L120 HydrophobicContact CD1-CG 4.04Å; F94-L120 HydrophobicContact CE1-CD1 4.01Å; F94-L120 HydrophobicContact CG-CD1 4.21Å; G95-L120 PolarHBondContact O-N 3.37Å; Q96-L120 CarbonylContact C-O 3.52Å; Q96-L120 WeakPolarHBondContact CA-O 3.36Å; Q96-L120 PolarHBondContact OE1-O 2.75Å; S97-L120 PolarHBondContact N-O 2.87Å; E118-L120 HydrophobicContact CG-CD2 4.27Å; L120-F122 HydrophobicContact CB-CD1 4.43Å; L120-F122 HydrophobicContact CB-CE1 4.09Å; L120-F122 HydrophobicContact CD1-CE1 4.42Å; L120-F122 PolarHBondContact O-N 3.27Å; L120-A128 HydrophobicContact CB-CB 4.44Å; L120-A128 HydrophobicContact CD1-CB 4.48Å; L120-I132 HydrophobicContact CD1-CD1 3.96Å; L120-I132 HydrophobicContact CD1-CG1 3.63Å
121D96.4Very high93.4Very high53 Ų5355.6 Ų55.628%0.28329%0.288SS..  trans-81.196.9172.8-179.25.2000110.6T123 K124D121-T123 VanDerWaalsContact CG-OG1 3.23Å; D121-T123 PolarHBondContact O-N 2.85Å; D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.18Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.43Å; D121-T123 PolarHBondContact OD1-N 2.84Å; D121-T123 PolarHBondContact OD1-OG1 3.3Å; D121-T123 PolarHBondContact OD2-OG1 2.92Å; D121-K124 PolarHBondContact O-N 3.12Å; D121-K124 VanDerWaalsContact O-N 3.09Å
122F93.8Very high93.6Very high0 Ų050.8 Ų50.80%027%0.266CS..THydrogen-bonded Turntrans-71.1-10.2177.9-61.7-44.8000114F94 G95 Q96 L120 K124 S125 A128 I132 I153 T157 I160F94-F122 HydrophobicContact CB-CE1 4.49Å; F94-F122 HydrophobicContact CB-CZ 3.99Å; F94-F122 WeakPolarHBondContact O-CZ 3.47Å; G95-F122 VanDerWaalsContact C-CE2 3.47Å; Q96-F122 HydrophobicContact CB-CD2 3.94Å; Q96-F122 HydrophobicContact CB-CE2 4.3Å; Q96-F122 VanDerWaalsContact OE1-CB 3.22Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.29Å; L120-F122 HydrophobicContact CB-CD1 4.43Å; L120-F122 HydrophobicContact CB-CE1 4.09Å; L120-F122 HydrophobicContact CD1-CE1 4.42Å; L120-F122 PolarHBondContact O-N 3.27Å; F122-K124 PolarHBondContact O-N 3.42Å; F122-S125 PolarHBondContact O-N 3.5Å; F122-A128 HydrophobicContact CD1-CB 3.81Å; F122-A128 HydrophobicContact CE1-CB 4.3Å; F122-I132 HydrophobicContact CE1-CD1 4.3Å; F122-I153 HydrophobicContact CB-CG2 3.93Å; F122-I153 HydrophobicContact CD1-CD1 4.5Å; F122-I153 HydrophobicContact CD1-CG2 3.66Å; F122-I153 HydrophobicContact CE1-CD1 4.48Å; F122-I153 HydrophobicContact CE1-CG2 4.48Å; F122-I153 HydrophobicContact CG-CG2 4.06Å; F122-T157 HydrophobicContact CB-CG2 4.45Å; F122-T157 HydrophobicContact CD1-CG2 4.3Å; F122-T157 HydrophobicContact CD2-CG2 3.51Å; F122-T157 WeakPolarHBondContact CD2-O 3.35Å; F122-T157 HydrophobicContact CE1-CG2 4.44Å; F122-T157 HydrophobicContact CE2-CG2 3.65Å; F122-T157 HydrophobicContact CG-CG2 3.85Å; F122-T157 HydrophobicContact CZ-CG2 4.13Å; F122-I160 HydrophobicContact CD1-CD1 4.49Å; F122-I160 HydrophobicContact CE1-CD1 3.77Å; F122-I160 HydrophobicContact CE1-CG1 4.42Å; F122-I160 HydrophobicContact CZ-CD1 3.85Å; F122-I160 HydrophobicContact CZ-CG1 4Å
123T92.5Very high93.9Very high86 Ų8649.3 Ų49.353%0.52826%0.26SS..THydrogen-bonded Turntrans-66-28.9168.576.90000110.6D121 S125D121-T123 VanDerWaalsContact CG-OG1 3.23Å; D121-T123 PolarHBondContact O-N 2.85Å; D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.18Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.43Å; D121-T123 PolarHBondContact OD1-N 2.84Å; D121-T123 PolarHBondContact OD1-OG1 3.3Å; D121-T123 PolarHBondContact OD2-OG1 2.92Å; T123-S125 VanDerWaalsContact C-N 3.28Å; T123-S125 PolarHBondContact O-N 2.88Å
124K94.3Very high94.4Very high107 Ų10752.6 Ų52.647%0.46528%0.277SS..SBendtrans-88.858.7167.6-57.4-174-171.3-177.80111.7D121 F122 L126 E127 A128D121-K124 PolarHBondContact O-N 3.12Å; D121-K124 VanDerWaalsContact O-N 3.09Å; F122-K124 PolarHBondContact O-N 3.42Å; K124-L126 VanDerWaalsContact C-N 3.3Å; K124-L126 PolarHBondContact O-N 3.26Å; K124-L126 VanDerWaalsContact O-N 3.09Å; K124-E127 HydrophobicContact CB-CB 4.23Å; K124-E127 VanDerWaalsContact CD-OE2 3.25Å; K124-E127 WeakPolarHBondContact CD-OE2 3.28Å; K124-E127 PolarHBondContact O-N 3.34Å; K124-A128 PolarHBondContact O-N 2.79Å
125S92.9Very high94.9Very high49 Ų4949.7 Ų49.734%0.34325%0.253SS..Hα-helixtrans-47.7-41.4-171.956.70000115.9F122 T123 C129 I153F122-S125 PolarHBondContact O-N 3.5Å; T123-S125 VanDerWaalsContact C-N 3.28Å; T123-S125 PolarHBondContact O-N 2.88Å; S125-C129 VanDerWaalsContact O-CB 3.23Å; S125-C129 WeakPolarHBondContact O-CB 3.19Å; S125-C129 PolarHBondContact O-N 3.32Å; S125-I153 VanDerWaalsContact CB-O 3.28Å; S125-I153 WeakPolarHBondContact CB-O 3.4Å
126L93.6Very high95Very high128 Ų12849.2 Ų49.267%0.6725%0.25SC*.Hα-helixtrans-68.6-43.4-179.8-174.966.6000112.3K124 K130K124-L126 VanDerWaalsContact C-N 3.3Å; K124-L126 PolarHBondContact O-N 3.26Å; K124-L126 VanDerWaalsContact O-N 3.09Å; L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 2.95Å
127E96Very high95.1Very high124 Ų12450.1 Ų50.158%0.57925%0.253SS*.Hα-helixtrans-66.1-46177.6-68.2174.2-15700110.4K124 C129 K130 H131K124-E127 HydrophobicContact CB-CB 4.23Å; K124-E127 VanDerWaalsContact CD-OE2 3.25Å; K124-E127 WeakPolarHBondContact CD-OE2 3.28Å; K124-E127 PolarHBondContact O-N 3.34Å; E127-C129 PolarHBondContact O-N 3.13Å; E127-K130 PolarHBondContact O-N 2.84Å; E127-H131 WeakPolarHBondContact O-CB 3.29Å; E127-H131 PolarHBondContact O-N 3.31Å
128A95.1Very high95Very high5 Ų555.7 Ų55.74%0.04128%0.279CS..Hα-helixtrans-61.6-42.8177.100000112.1L120 F122 K124 H131 I132 I153L120-A128 HydrophobicContact CB-CB 4.44Å; L120-A128 HydrophobicContact CD1-CB 4.48Å; F122-A128 HydrophobicContact CD1-CB 3.81Å; F122-A128 HydrophobicContact CE1-CB 4.3Å; K124-A128 PolarHBondContact O-N 2.79Å; A128-H131 PolarHBondContact O-N 3.25Å; A128-I132 VanDerWaalsContact O-CG1 3.29Å; A128-I132 WeakPolarHBondContact O-CG1 3.45Å; A128-I132 PolarHBondContact O-N 3.46Å; A128-I153 HydrophobicContact CB-CD1 4.32Å
129C94.7Very high94.6Very high9 Ų957.5 Ų57.56%0.06129%0.286CS..Hα-helixtrans-62.2-44.8176.7-175.20000111.6S125 E127 N133 I153S125-C129 VanDerWaalsContact O-CB 3.23Å; S125-C129 WeakPolarHBondContact O-CB 3.19Å; S125-C129 PolarHBondContact O-N 3.32Å; E127-C129 PolarHBondContact O-N 3.13Å; C129-N133 PolarHBondContact O-N 3.12Å; C129-N133 VanDerWaalsContact O-N 3.12Å; C129-I153 HydrophobicContact CB-CD1 4.02Å
130K96.1Very high94Very high128 Ų12854.5 Ų54.556%0.55727%0.27SS*.Hα-helixtrans-62.7-47.5177.2-175.7-179-179.1-63.80111L126 E127 I132 N133 D134L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 2.95Å; E127-K130 PolarHBondContact O-N 2.84Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 2.59Å; K130-N133 PolarHBondContact O-N 3.13Å; K130-D134 IonicContact NZ-OD1 2.69Å; K130-D134 IonicContact NZ-OD2 3.37Å; K130-D134 PolarHBondContact NZ-OD2 3.29Å; K130-D134 WeakPolarHBondContact O-CB 3.41Å; K130-D134 PolarHBondContact O-N 2.83Å
131H97.7Very high93.5Very high75 Ų7560.4 Ų60.435%0.34730%0.295SS..Hα-helixtrans-57.4-45.4179.7-174.390.1000112.5E118 E127 A128 D134 W135E118-H131 IonicContact OE1-CD2 3.18Å; E118-H131 IonicContact OE1-CE1 2.69Å; E118-H131 IonicContact OE1-NE2 3.52Å; E118-H131 PolarHBondContact OE1-NE2 3.49Å; E118-H131 IonicContact OE2-NE2 2.65Å; E127-H131 WeakPolarHBondContact O-CB 3.29Å; E127-H131 PolarHBondContact O-N 3.31Å; A128-H131 PolarHBondContact O-N 3.25Å; H131-D134 PolarHBondContact O-N 3.35Å; H131-W135 WeakPolarHBondContact O-CB 3.37Å; H131-W135 PolarHBondContact O-N 3.28Å
132I95.3Very high93.1Very high0 Ų059.2 Ų59.20%030%0.296CS..Hα-helixtrans-64.8-43.9178.3-65168.2000111.1F94 L120 F122 A128 K130 W135 V136 I148 I153 I160 T162F94-I132 HydrophobicContact CB-CD1 4.05Å; F94-I132 HydrophobicContact CB-CG1 4.5Å; F94-I132 HydrophobicContact CD1-CD1 4.29Å; F94-I132 HydrophobicContact CD1-CG1 3.82Å; F94-I132 HydrophobicContact CD2-CD1 3.98Å; F94-I132 HydrophobicContact CD2-CG1 3.84Å; F94-I132 HydrophobicContact CD2-CG2 4.08Å; F94-I132 HydrophobicContact CE1-CG1 3.83Å; F94-I132 HydrophobicContact CE2-CB 4.24Å; F94-I132 HydrophobicContact CE2-CD1 4.47Å; F94-I132 HydrophobicContact CE2-CG1 3.86Å; F94-I132 HydrophobicContact CE2-CG2 3.63Å; F94-I132 HydrophobicContact CG-CD1 3.86Å; F94-I132 HydrophobicContact CG-CG1 3.8Å; F94-I132 HydrophobicContact CZ-CB 4.27Å; F94-I132 HydrophobicContact CZ-CG1 3.84Å; F94-I132 HydrophobicContact CZ-CG2 4.05Å; L120-I132 HydrophobicContact CD1-CD1 3.96Å; L120-I132 HydrophobicContact CD1-CG1 3.63Å; F122-I132 HydrophobicContact CE1-CD1 4.3Å; A128-I132 VanDerWaalsContact O-CG1 3.29Å; A128-I132 WeakPolarHBondContact O-CG1 3.45Å; A128-I132 PolarHBondContact O-N 3.46Å; K130-I132 VanDerWaalsContact C-N 3.34Å; K130-I132 PolarHBondContact O-N 2.59Å; I132-W135 PolarHBondContact O-N 2.78Å; I132-V136 WeakPolarHBondContact O-CG2 3.47Å; I132-V136 PolarHBondContact O-N 3.43Å; I132-I148 HydrophobicContact CB-CD1 4.03Å; I132-I148 HydrophobicContact CD1-CD1 3.72Å; I132-I148 HydrophobicContact CG1-CD1 4.46Å; I132-I148 HydrophobicContact CG2-CD1 3.47Å; I132-I148 VanDerWaalsContact CG2-CD1 3.47Å; I132-I148 HydrophobicContact CG2-CG1 4.05Å; I132-I153 HydrophobicContact CD1-CD1 3.84Å; I132-I160 HydrophobicContact CD1-CD1 3.92Å; I132-T162 HydrophobicContact CG2-CG2 3.77Å
133N95.7Very high92.7Very high11 Ų1163.4 Ų63.46%0.05931%0.314CS..Hα-helixtrans-65.4-42.9178.8-73.9-17.1000112C129 K130 W135 V136 E137 L147 I148C129-N133 PolarHBondContact O-N 3.12Å; C129-N133 VanDerWaalsContact O-N 3.12Å; K130-N133 PolarHBondContact O-N 3.13Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.26Å; N133-V136 PolarHBondContact O-N 2.78Å; N133-E137 WeakPolarHBondContact O-CB 3.44Å; N133-E137 PolarHBondContact O-N 2.88Å; N133-L147 PolarHBondContact OD1-N 3.33Å; N133-L147 VanDerWaalsContact OD1-N 3.09Å; N133-I148 PolarHBondContact ND2-O 3.44Å; N133-I148 PolarHBondContact OD1-N 3.38Å
134D97.4Very high92.3Very high71 Ų7159.3 Ų59.338%0.3829%0.289SS..Hα-helixtrans-60.8-41.8175.5-68.8-11.1000110.8K130 H131 E137 E138K130-D134 IonicContact NZ-OD1 2.69Å; K130-D134 IonicContact NZ-OD2 3.37Å; K130-D134 PolarHBondContact NZ-OD2 3.29Å; K130-D134 WeakPolarHBondContact O-CB 3.41Å; K130-D134 PolarHBondContact O-N 2.83Å; H131-D134 PolarHBondContact O-N 3.35Å; D134-E137 PolarHBondContact O-N 3.11Å; D134-E138 WeakPolarHBondContact O-CB 3.47Å; D134-E138 PolarHBondContact O-N 3.12Å
135W95.4Very high92Very high22 Ų2259 Ų598%0.08329%0.287CS..Hα-helixtrans-63.1-44.3176.5179.186.4000112.3A90 R92 F94 H131 I132 N133 E137 E138 K139A90-W135 HydrophobicContact CB-CH2 3.99Å; A90-W135 HydrophobicContact CB-CZ3 3.79Å; R92-W135 HydrophobicContact CB-CE3 4.41Å; R92-W135 HydrophobicContact CB-CH2 3.41Å; R92-W135 VanDerWaalsContact CB-CH2 3.41Å; R92-W135 HydrophobicContact CB-CZ2 3.87Å; R92-W135 HydrophobicContact CB-CZ3 3.71Å; R92-W135 HydrophobicContact CG-CH2 4.42Å; R92-W135 HydrophobicContact CG-CZ2 4.45Å; R92-W135 VanDerWaalsContact CZ-CE2 3.44Å; R92-W135 VanDerWaalsContact NE-CZ2 3.28Å; F94-W135 HydrophobicContact CE2-CE3 4.26Å; F94-W135 HydrophobicContact CZ-CB 4.49Å; F94-W135 HydrophobicContact CZ-CD2 4.07Å; F94-W135 AromaticContact CZ-CE3 3.95Å; F94-W135 HydrophobicContact CZ-CE3 3.95Å; F94-W135 HydrophobicContact CZ-CG 4.3Å; H131-W135 WeakPolarHBondContact O-CB 3.37Å; H131-W135 PolarHBondContact O-N 3.28Å; I132-W135 PolarHBondContact O-N 2.78Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.26Å; W135-E137 VanDerWaalsContact C-N 3.34Å; W135-E138 PolarHBondContact O-N 2.94Å; W135-K139 HydrophobicContact CD2-CG 4.03Å; W135-K139 HydrophobicContact CE3-CG 4.47Å; W135-K139 HydrophobicContact CH2-CG 4.1Å; W135-K139 HydrophobicContact CZ2-CD 4.41Å; W135-K139 HydrophobicContact CZ2-CG 3.63Å; W135-K139 WeakPolarHBondContact O-CG 3.36Å; W135-K139 PolarHBondContact O-N 2.88Å
136V91.4Very high91.8Very high0 Ų061.8 Ų61.80%030%0.298CS..Hα-helixtrans-62.8-43.6176.2172.50000110.5I132 N133 E138 K139 T140 I144 L147 A164I132-V136 WeakPolarHBondContact O-CG2 3.47Å; I132-V136 PolarHBondContact O-N 3.43Å; N133-V136 PolarHBondContact O-N 2.78Å; V136-E138 PolarHBondContact O-N 2.82Å; V136-K139 PolarHBondContact O-N 3.34Å; V136-T140 HydrophobicContact CG1-CG2 4.34Å; V136-T140 WeakPolarHBondContact O-CB 3.47Å; V136-T140 VanDerWaalsContact O-CG2 3.29Å; V136-T140 WeakPolarHBondContact O-CG2 3.17Å; V136-T140 PolarHBondContact O-N 2.86Å; V136-T140 PolarHBondContact O-OG1 3.41Å; V136-I144 HydrophobicContact CG1-CB 4.14Å; V136-I144 HydrophobicContact CG1-CG2 3.84Å; V136-L147 HydrophobicContact CB-CB 4.47Å; V136-L147 HydrophobicContact CG1-CB 4.24Å; V136-L147 HydrophobicContact CG2-CB 4.17Å; V136-L147 HydrophobicContact CG2-CD2 3.57Å; V136-L147 HydrophobicContact CG2-CG 4.49Å; V136-A164 HydrophobicContact CG1-CB 3.57Å
137E93.4Very high91.7Very high56 Ų5655.9 Ų55.926%0.26227%0.267SS..Hα-helixtrans-60.7-45.1177.7-172172.117900111N133 D134 W135 T140 K141 G142 I144 K145N133-E137 WeakPolarHBondContact O-CB 3.44Å; N133-E137 PolarHBondContact O-N 2.88Å; D134-E137 PolarHBondContact O-N 3.11Å; W135-E137 VanDerWaalsContact C-N 3.34Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.14Å; E137-T140 PolarHBondContact O-OG1 3.17Å; E137-K141 PolarHBondContact O-N 2.63Å; E137-K141 VanDerWaalsContact O-N 3.07Å; E137-G142 PolarHBondContact O-N 3.16Å; E137-I144 VanDerWaalsContact CA-O 3.24Å; E137-I144 WeakPolarHBondContact CA-O 3.48Å; E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CE 3.31Å; E137-K145 IonicContact OE1-NZ 3.8Å; E137-K145 PolarHBondContact OE1-NZ 2.99Å
138E93.6Very high91.2Very high118 Ų11850 Ų5055%0.55124%0.24SC*.Hα-helixtrans-60.1-50.6175.8-172.7-151119.500111.8D134 W135 V136 T140 K141D134-E138 WeakPolarHBondContact O-CB 3.47Å; D134-E138 PolarHBondContact O-N 3.12Å; W135-E138 PolarHBondContact O-N 2.94Å; V136-E138 PolarHBondContact O-N 2.82Å; E138-T140 PolarHBondContact O-N 2.61Å; E138-K141 PolarHBondContact O-N 2.9Å; E138-K141 VanDerWaalsContact O-N 3.1Å
139K87Confident90.8Very high83 Ų8352.5 Ų52.536%0.36126%0.256SS..Hα-helixtrans-66.6-24.1-178.3-66.9-49.6175.4-146.10113.4A90 W135 V136A90-K139 HydrophobicContact CB-CB 3.75Å; W135-K139 HydrophobicContact CD2-CG 4.03Å; W135-K139 HydrophobicContact CE3-CG 4.47Å; W135-K139 HydrophobicContact CH2-CG 4.1Å; W135-K139 HydrophobicContact CZ2-CD 4.41Å; W135-K139 HydrophobicContact CZ2-CG 3.63Å; W135-K139 WeakPolarHBondContact O-CG 3.36Å; W135-K139 PolarHBondContact O-N 2.88Å; V136-K139 PolarHBondContact O-N 3.34Å
140T84.9Confident90.3Very high0 Ų061 Ų610%029%0.292CS..THydrogen-bonded Turntrans-10113.7176.963.90000112.6A90 V136 E137 E138 G142 K143 I144 A164A90-T140 HydrophobicContact CB-CG2 4.12Å; V136-T140 HydrophobicContact CG1-CG2 4.34Å; V136-T140 WeakPolarHBondContact O-CB 3.47Å; V136-T140 VanDerWaalsContact O-CG2 3.29Å; V136-T140 WeakPolarHBondContact O-CG2 3.17Å; V136-T140 PolarHBondContact O-N 2.86Å; V136-T140 PolarHBondContact O-OG1 3.41Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.14Å; E137-T140 PolarHBondContact O-OG1 3.17Å; E138-T140 PolarHBondContact O-N 2.61Å; T140-G142 VanDerWaalsContact C-N 3.27Å; T140-G142 PolarHBondContact O-N 2.95Å; T140-K143 WeakPolarHBondContact O-CB 3.4Å; T140-K143 WeakPolarHBondContact O-CG 3.38Å; T140-K143 PolarHBondContact O-N 3.42Å; T140-I144 HydrophobicContact CG2-CB 3.95Å; T140-I144 HydrophobicContact CG2-CD1 3.9Å; T140-I144 HydrophobicContact CG2-CG1 4.02Å; T140-I144 WeakPolarHBondContact OG1-CB 3.26Å; T140-I144 PolarHBondContact OG1-N 3.21Å; T140-I144 PolarHBondContact OG1-O 3.36Å; T140-A164 HydrophobicContact CG2-CB 4.49Å
141K87.4Confident89.8Confident143 Ų14358.4 Ų58.462%0.62230%0.301SS*.THydrogen-bonded Turntrans5539.6177.4-55.2-60.5-174.6-176.80113.4Y88 E137 E138 K143Y88-K141 HydrophobicContact CD1-CG 4.31Å; Y88-K141 HydrophobicContact CE1-CG 3.82Å; Y88-K141 HydrophobicContact CE2-CB 4.23Å; Y88-K141 HydrophobicContact CE2-CG 4.07Å; E137-K141 PolarHBondContact O-N 2.63Å; E137-K141 VanDerWaalsContact O-N 3.07Å; E138-K141 PolarHBondContact O-N 2.9Å; E138-K141 VanDerWaalsContact O-N 3.1Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 3.27Å
142G87.7Confident89.2Confident29 Ų2955.8 Ų55.830%0.29929%0.293SS..THydrogen-bonded Turntrans81.90.9-179.900000114.7E137 T140 K145E137-G142 PolarHBondContact O-N 3.16Å; T140-G142 VanDerWaalsContact C-N 3.27Å; T140-G142 PolarHBondContact O-N 2.95Å; G142-K145 WeakPolarHBondContact O-CE 3.23Å
143K84.3Confident88.9Confident87 Ų8756.1 Ų56.138%0.37830%0.295SS..SBendtrans-81.8-32.6-172.6-58.3-61.5-176.1-177.70113.5T140 K141 Y166T140-K143 WeakPolarHBondContact O-CB 3.4Å; T140-K143 WeakPolarHBondContact O-CG 3.38Å; T140-K143 PolarHBondContact O-N 3.42Å; K141-K143 VanDerWaalsContact C-N 3.28Å; K141-K143 PolarHBondContact O-N 3.27Å; K143-Y166 HydrophobicContact CB-CD1 4.48Å; K143-Y166 HydrophobicContact CB-CD2 3.42Å; K143-Y166 VanDerWaalsContact CB-CD2 3.42Å; K143-Y166 HydrophobicContact CB-CE2 3.69Å; K143-Y166 HydrophobicContact CB-CG 3.84Å; K143-Y166 HydrophobicContact CD-CD2 4.4Å; K143-Y166 HydrophobicContact CD-CE1 4.47Å; K143-Y166 HydrophobicContact CD-CE2 3.78Å; K143-Y166 HydrophobicContact CG-CD1 4.21Å; K143-Y166 HydrophobicContact CG-CD2 3.83Å; K143-Y166 HydrophobicContact CG-CE1 4.08Å; K143-Y166 HydrophobicContact CG-CE2 3.68Å; K143-Y166 HydrophobicContact CG-CG 4.07Å
144I83.6Confident88.5Confident1 Ų159.3 Ų59.31%0.00531%0.312CS..SBendtrans-117120.2179.1-59.2-176.2000108.6V136 E137 T140 A164 I165 K313V136-I144 HydrophobicContact CG1-CB 4.14Å; V136-I144 HydrophobicContact CG1-CG2 3.84Å; E137-I144 VanDerWaalsContact CA-O 3.24Å; E137-I144 WeakPolarHBondContact CA-O 3.48Å; T140-I144 HydrophobicContact CG2-CB 3.95Å; T140-I144 HydrophobicContact CG2-CD1 3.9Å; T140-I144 HydrophobicContact CG2-CG1 4.02Å; T140-I144 WeakPolarHBondContact OG1-CB 3.26Å; T140-I144 PolarHBondContact OG1-N 3.21Å; T140-I144 PolarHBondContact OG1-O 3.36Å; I144-A164 HydrophobicContact CD1-CB 3.87Å; I144-A164 HydrophobicContact CG2-CB 4.09Å; I144-I165 VanDerWaalsContact CD1-C 3.46Å; I144-I165 WeakPolarHBondContact CD1-O 3.48Å; I144-K313 HydrophobicContact CG2-CB 4.15Å; I144-K313 HydrophobicContact CG2-CD 3.42Å; I144-K313 VanDerWaalsContact CG2-CD 3.42Å; I144-K313 HydrophobicContact CG2-CG 3.68Å
145K89.4Confident88Confident101 Ų10159.3 Ų59.344%0.43932%0.317SS..  trans-120.7158.7179.3-50.6-169.3-172-136.80110.5E137 G142 L147 K313E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CE 3.31Å; E137-K145 IonicContact OE1-NZ 3.8Å; E137-K145 PolarHBondContact OE1-NZ 2.99Å; G142-K145 WeakPolarHBondContact O-CE 3.23Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3.03Å; K145-K313 PolarHBondContact O-NZ 3.34Å
146D89.4Confident87.7Confident107 Ų10763.9 Ų63.957%0.57234%0.343SS*.  trans52.142.7171.6-60.3-55.8000114.1I148D146-I148 VanDerWaalsContact C-N 3.29Å; D146-I148 PolarHBondContact O-N 3.19Å
147L89.6Confident87.7Confident4 Ų464 Ų642%0.02134%0.343CS..  trans-53.2-46.5179.2171.967000112N133 V136 K145 T162 F311 K313N133-L147 PolarHBondContact OD1-N 3.33Å; N133-L147 VanDerWaalsContact OD1-N 3.09Å; V136-L147 HydrophobicContact CB-CB 4.47Å; V136-L147 HydrophobicContact CG1-CB 4.24Å; V136-L147 HydrophobicContact CG2-CB 4.17Å; V136-L147 HydrophobicContact CG2-CD2 3.57Å; V136-L147 HydrophobicContact CG2-CG 4.49Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3.03Å; L147-T162 HydrophobicContact CD2-CG2 3.79Å; L147-F311 HydrophobicContact CD1-CB 4.05Å; L147-F311 HydrophobicContact CD2-CB 4.45Å; L147-F311 HydrophobicContact CG-CB 4.1Å; L147-K313 HydrophobicContact CD1-CB 3.37Å; L147-K313 HydrophobicContact CD1-CD 4.5Å
148I86.8Confident87.6Confident1 Ų165 Ų651%0.00534%0.344CS..SBendtrans-97.4120.3179.7-58.9-169.5000108.4I132 N133 D146 A152 I153 I160 T162 F311I132-I148 HydrophobicContact CB-CD1 4.03Å; I132-I148 HydrophobicContact CD1-CD1 3.72Å; I132-I148 HydrophobicContact CG1-CD1 4.46Å; I132-I148 HydrophobicContact CG2-CD1 3.47Å; I132-I148 VanDerWaalsContact CG2-CD1 3.47Å; I132-I148 HydrophobicContact CG2-CG1 4.05Å; N133-I148 PolarHBondContact ND2-O 3.44Å; N133-I148 PolarHBondContact OD1-N 3.38Å; D146-I148 VanDerWaalsContact C-N 3.29Å; D146-I148 PolarHBondContact O-N 3.19Å; I148-A152 HydrophobicContact CG2-CB 3.82Å; I148-I153 HydrophobicContact CD1-CD1 4.33Å; I148-I153 HydrophobicContact CG2-CD1 4.33Å; I148-I153 HydrophobicContact CG2-CG1 4.15Å; I148-I160 HydrophobicContact CD1-CD1 4.23Å; I148-I160 HydrophobicContact CD1-CG2 3.99Å; I148-T162 HydrophobicContact CD1-CG2 4.12Å; I148-F311 HydrophobicContact CD1-CD2 3.87Å; I148-F311 HydrophobicContact CD1-CE2 4Å; I148-F311 HydrophobicContact CG1-CD2 3.74Å; I148-F311 HydrophobicContact CG1-CE2 4.05Å; I148-F311 HydrophobicContact CG1-CG 4.16Å; I148-F311 HydrophobicContact CG2-CE2 4.11Å; I148-F311 HydrophobicContact CG2-CZ 4.18Å
149P86.8Confident87.8Confident57 Ų5759.3 Ų59.337%0.3732%0.318SS..PPolyproline II helixtrans-70.5147.7177.426.1-30000111.1G151 A152 F311P149-G151 PolarHBondContact O-N 3.45Å; P149-A152 HydrophobicContact CG-CB 4.08Å; P149-A152 WeakPolarHBondContact O-CB 3.18Å; P149-A152 PolarHBondContact O-N 3.48Å; P149-A152 VanDerWaalsContact O-N 3.13Å; P149-F311 HydrophobicContact CG-CE1 4.47Å
150K83.7Confident88.1Confident187 Ų18755.4 Ų55.481%0.81330%0.301SS*.THydrogen-bonded Turntrans-54.6134.5176.2-65-179.3-178.61770110.6
151G84.9Confident88.6Confident74 Ų7455.4 Ų55.476%0.76330%0.301SS*.THydrogen-bonded Turntrans84.7-0.1-178.800000115.4P149 I153P149-G151 PolarHBondContact O-N 3.45Å; G151-I153 VanDerWaalsContact C-N 3.35Å
152A86.3Confident88.8Confident20 Ų2048.6 Ų48.617%0.16527%0.272CS..SBendtrans-76.8-20.3176.500000114.2I148 P149 F311I148-A152 HydrophobicContact CG2-CB 3.82Å; P149-A152 HydrophobicContact CG-CB 4.08Å; P149-A152 WeakPolarHBondContact O-CB 3.18Å; P149-A152 PolarHBondContact O-N 3.48Å; P149-A152 VanDerWaalsContact O-N 3.13Å; A152-F311 HydrophobicContact CB-CE1 4.3Å; A152-F311 HydrophobicContact CB-CZ 3.79Å
153I88.4Confident88.8Confident7 Ų747.2 Ų47.24%0.03626%0.257CS..  trans-101.4136.9176.3-55.5-175.2000109F122 S125 A128 C129 I132 I148 G151 T157 I160F122-I153 HydrophobicContact CB-CG2 3.93Å; F122-I153 HydrophobicContact CD1-CD1 4.5Å; F122-I153 HydrophobicContact CD1-CG2 3.66Å; F122-I153 HydrophobicContact CE1-CD1 4.48Å; F122-I153 HydrophobicContact CE1-CG2 4.48Å; F122-I153 HydrophobicContact CG-CG2 4.06Å; S125-I153 VanDerWaalsContact CB-O 3.28Å; S125-I153 WeakPolarHBondContact CB-O 3.4Å; A128-I153 HydrophobicContact CB-CD1 4.32Å; C129-I153 HydrophobicContact CB-CD1 4.02Å; I132-I153 HydrophobicContact CD1-CD1 3.84Å; I148-I153 HydrophobicContact CD1-CD1 4.33Å; I148-I153 HydrophobicContact CG2-CD1 4.33Å; I148-I153 HydrophobicContact CG2-CG1 4.15Å; G151-I153 VanDerWaalsContact C-N 3.35Å; I153-T157 HydrophobicContact CG2-CG2 4.45Å; I153-I160 HydrophobicContact CD1-CD1 3.56Å; I153-I160 HydrophobicContact CG1-CD1 3.72Å
154N87.7Confident89Confident78 Ų7843.1 Ų43.142%0.41724%0.239SC..  trans-143.9177.5174.662.862.4000110.6L156 T157N154-L156 PolarHBondContact O-N 3.01Å; N154-L156 VanDerWaalsContact O-N 3.12Å; N154-L156 WeakPolarHBondContact OD1-CA 3.14Å; N154-L156 VanDerWaalsContact OD1-CB 3.3Å; N154-L156 WeakPolarHBondContact OD1-CB 3.18Å; N154-L156 PolarHBondContact OD1-N 2.81Å; N154-T157 PolarHBondContact N-OG1 2.68Å; N154-T157 VanDerWaalsContact N-OG1 3.16Å; N154-T157 VanDerWaalsContact O-CB 3.23Å; N154-T157 WeakPolarHBondContact O-CB 3.4Å; N154-T157 PolarHBondContact O-N 3.43Å; N154-T157 PolarHBondContact O-OG1 2.97Å; N154-T157 VanDerWaalsContact O-OG1 3.11Å; N154-T157 PolarHBondContact OD1-N 3.41Å
155S86.2Confident89.1Confident71 Ų7143.1 Ų43.150%0.49724%0.239SC..THydrogen-bonded Turntrans-65-14.2-177.356.50000114.9R158S155-R158 PolarHBondContact O-NH1 3.19Å
156L89Confident88.9Confident118 Ų11838.6 Ų38.662%0.61822%0.22SC*.THydrogen-bonded Turntrans-91.8-6.1174.6-56.5178.9000112.8N154 R158N154-L156 PolarHBondContact O-N 3.01Å; N154-L156 VanDerWaalsContact O-N 3.12Å; N154-L156 WeakPolarHBondContact OD1-CA 3.14Å; N154-L156 VanDerWaalsContact OD1-CB 3.3Å; N154-L156 WeakPolarHBondContact OD1-CB 3.18Å; N154-L156 PolarHBondContact OD1-N 2.81Å; L156-R158 VanDerWaalsContact C-NH1 3.29Å; L156-R158 PolarHBondContact O-NH1 3.06Å
157T91.3Very high88.6Confident3 Ų333.6 Ų33.62%0.01819%0.193CC..  trans-62137.2173.3-59.10000109.8F122 I153 N154 I160 S308F122-T157 HydrophobicContact CB-CG2 4.45Å; F122-T157 HydrophobicContact CD1-CG2 4.3Å; F122-T157 HydrophobicContact CD2-CG2 3.51Å; F122-T157 WeakPolarHBondContact CD2-O 3.35Å; F122-T157 HydrophobicContact CE1-CG2 4.44Å; F122-T157 HydrophobicContact CE2-CG2 3.65Å; F122-T157 HydrophobicContact CG-CG2 3.85Å; F122-T157 HydrophobicContact CZ-CG2 4.13Å; I153-T157 HydrophobicContact CG2-CG2 4.45Å; N154-T157 PolarHBondContact N-OG1 2.68Å; N154-T157 VanDerWaalsContact N-OG1 3.16Å; N154-T157 VanDerWaalsContact O-CB 3.23Å; N154-T157 WeakPolarHBondContact O-CB 3.4Å; N154-T157 PolarHBondContact O-N 3.43Å; N154-T157 PolarHBondContact O-OG1 2.97Å; N154-T157 VanDerWaalsContact O-OG1 3.11Å; N154-T157 PolarHBondContact OD1-N 3.41Å; T157-I160 HydrophobicContact CG2-CD1 3.84Å; T157-I160 HydrophobicContact CG2-CG1 3.6Å; T157-S308 WeakPolarHBondContact CA-OG 3.44Å
158R92.9Very high88.3Confident75 Ų7536.5 Ų36.528%0.28321%0.205SC..  trans-126-40.4-178.5-64.9-63.4176.1-93.91.5112.9G95 Q96 S155 L156 L305 F306 S308G95-R158 CarbonylContact C-O 3.43Å; G95-R158 WeakPolarHBondContact CA-O 3.28Å; Q96-R158 PolarHBondContact N-O 3.32Å; S155-R158 PolarHBondContact O-NH1 3.19Å; L156-R158 VanDerWaalsContact C-NH1 3.29Å; L156-R158 PolarHBondContact O-NH1 3.06Å; R158-L305 HydrophobicContact CB-CD1 3.99Å; R158-F306 HydrophobicContact CB-CD1 4.38Å; R158-F306 HydrophobicContact CB-CE1 4.13Å; R158-F306 HydrophobicContact CB-CZ 4.4Å; R158-F306 HydrophobicContact CG-CD1 4.14Å; R158-F306 HydrophobicContact CG-CE1 3.5Å; R158-F306 HydrophobicContact CG-CZ 3.88Å; R158-S308 PolarHBondContact N-OG 3.39Å
159L96Very high88.1Confident0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-147.5131177.1-172.165.1000109.7L93 F94 I117 I299 L305 F306 V307 S308L93-L159 HydrophobicContact CB-CD1 4.25Å; L93-L159 HydrophobicContact CD2-CD1 4.18Å; L93-L159 HydrophobicContact CD2-CD2 4.35Å; L93-L159 HydrophobicContact CD2-CG 4.28Å; F94-L159 CarbonylContact O-C 3.49Å; F94-L159 WeakPolarHBondContact O-CA 3.29Å; I117-L159 HydrophobicContact CD1-CD1 4.12Å; L159-I299 HydrophobicContact CD2-CD1 4.03Å; L159-L305 HydrophobicContact CB-CD1 3.98Å; L159-L305 HydrophobicContact CB-CG 4.43Å; L159-L305 HydrophobicContact CD2-CD2 4.23Å; L159-L305 HydrophobicContact CD2-CG 4.34Å; L159-F306 WeakPolarHBondContact CB-O 2.96Å; L159-V307 HydrophobicContact CD2-CG2 3.93Å; L159-S308 PolarHBondContact O-N 2.94Å
160I94.5Very high88.1Confident1 Ų135.4 Ų35.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-114.8131.1173.2-57.8175.8000108.3F94 F122 I132 I148 I153 T157 T162 E309 F311F94-I160 HydrophobicContact CB-CB 4.33Å; F94-I160 PolarHBondContact N-O 3Å; F94-I160 PolarHBondContact O-N 3.23Å; F122-I160 HydrophobicContact CD1-CD1 4.49Å; F122-I160 HydrophobicContact CE1-CD1 3.77Å; F122-I160 HydrophobicContact CE1-CG1 4.42Å; F122-I160 HydrophobicContact CZ-CD1 3.85Å; F122-I160 HydrophobicContact CZ-CG1 4Å; I132-I160 HydrophobicContact CD1-CD1 3.92Å; I148-I160 HydrophobicContact CD1-CD1 4.23Å; I148-I160 HydrophobicContact CD1-CG2 3.99Å; I153-I160 HydrophobicContact CD1-CD1 3.56Å; I153-I160 HydrophobicContact CG1-CD1 3.72Å; T157-I160 HydrophobicContact CG2-CD1 3.84Å; T157-I160 HydrophobicContact CG2-CG1 3.6Å; I160-T162 HydrophobicContact CG2-CG2 3.89Å; I160-E309 WeakPolarHBondContact CA-O 3.26Å; I160-F311 HydrophobicContact CG2-CD2 3.8Å; I160-F311 HydrophobicContact CG2-CE2 3.93Å
161L95Very high88.5Confident0 Ų026.9 Ų26.90%016%0.16CC..EExtended strand (participates in β ladder)trans-96.9120.3167.7-17964.1000109.6A35 L36 M38 L93 E309 A310 F311A35-L161 HydrophobicContact CB-CD1 3.79Å; A35-L161 HydrophobicContact CB-CD2 3.81Å; A35-L161 HydrophobicContact CB-CG 3.91Å; A35-L161 VanDerWaalsContact O-CD1 3.28Å; A35-L161 WeakPolarHBondContact O-CD1 3.29Å; L36-L161 HydrophobicContact CD2-CD2 3.82Å; L36-L161 HydrophobicContact CG-CD2 4.36Å; M38-L161 HydrophobicContact CE-CD1 4.15Å; L93-L161 HydrophobicContact CD2-CB 4.29Å; L93-L161 HydrophobicContact CD2-CD1 3.56Å; L93-L161 HydrophobicContact CG-CD1 4.27Å; L161-E309 PolarHBondContact N-O 3.19Å; L161-A310 HydrophobicContact CB-CB 4.05Å; L161-A310 HydrophobicContact CD2-CB 4.44Å; L161-A310 WeakPolarHBondContact O-CA 2.98Å; L161-F311 PolarHBondContact O-N 2.89Å
162T91.3Very high88.8Confident0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-111135.6174.959.80000111.5R92 F94 I132 L147 I148 I160R92-T162 PolarHBondContact N-O 3.04Å; R92-T162 PolarHBondContact O-N 3.28Å; R92-T162 PolarHBondContact O-OG1 2.91Å; F94-T162 HydrophobicContact CD2-CG2 3.85Å; F94-T162 HydrophobicContact CE2-CG2 3.9Å; F94-T162 WeakPolarHBondContact CE2-OG1 3.44Å; I132-T162 HydrophobicContact CG2-CG2 3.77Å; L147-T162 HydrophobicContact CD2-CG2 3.79Å; I148-T162 HydrophobicContact CD1-CG2 4.12Å; I160-T162 HydrophobicContact CG2-CG2 3.89Å
163N88.5Confident89.1Confident0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-137.3118.6173.1-178-107.5000109.6S31 A35 A90 N91 F311 H312 K313S31-N163 VanDerWaalsContact C-ND2 3.3Å; S31-N163 WeakPolarHBondContact CB-ND2 3.47Å; S31-N163 WeakPolarHBondContact CB-OD1 3.35Å; S31-N163 PolarHBondContact O-ND2 3.14Å; S31-N163 PolarHBondContact OG-ND2 2.97Å; S31-N163 PolarHBondContact OG-OD1 3.29Å; A35-N163 HydrophobicContact CB-CB 3.96Å; A90-N163 WeakPolarHBondContact O-CA 3.34Å; N91-N163 PolarHBondContact OD1-ND2 3.42Å; N163-F311 PolarHBondContact N-O 2.9Å; N163-H312 CarbonylContact O-C 3.5Å; N163-H312 WeakPolarHBondContact O-CA 3.39Å; N163-H312 PolarHBondContact OD1-CE1 3.3Å; N163-H312 PolarHBondContact OD1-ND1 3.24Å; N163-K313 PolarHBondContact O-N 2.82Å
164A86.9Confident89.2Confident0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-131.1139.9170.700000110.1A90 V136 T140 I144 K313A90-A164 HydrophobicContact CB-CB 4.25Å; A90-A164 PolarHBondContact N-O 3.48Å; A90-A164 PolarHBondContact O-N 3.07Å; V136-A164 HydrophobicContact CG1-CB 3.57Å; T140-A164 HydrophobicContact CG2-CB 4.49Å; I144-A164 HydrophobicContact CD1-CB 3.87Å; I144-A164 HydrophobicContact CG2-CB 4.09Å; A164-K313 CarbonylContact C-O 3.59Å; A164-K313 VanDerWaalsContact CA-O 3.28Å; A164-K313 WeakPolarHBondContact CA-O 3.19Å
165I86.4Confident89.5Confident1 Ų127.1 Ų27.11%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-144.2125.9-178-174175.2000111.9S28 L87 Y88 I89 I144 K313 A314 F315 F367S28-I165 VanDerWaalsContact CB-CG2 3.43Å; S28-I165 WeakPolarHBondContact OG-CD1 3.41Å; L87-I165 HydrophobicContact CD1-CD1 3.91Å; L87-I165 HydrophobicContact CD1-CG1 3.93Å; Y88-I165 VanDerWaalsContact O-CA 3.31Å; Y88-I165 WeakPolarHBondContact O-CA 3.31Å; I89-I165 HydrophobicContact CD1-CD1 4.33Å; I89-I165 HydrophobicContact CG1-CD1 4.12Å; I89-I165 HydrophobicContact CG1-CG1 4.09Å; I144-I165 VanDerWaalsContact CD1-C 3.46Å; I144-I165 WeakPolarHBondContact CD1-O 3.48Å; I165-K313 PolarHBondContact N-O 3Å; I165-A314 HydrophobicContact CG2-CB 3.96Å; I165-A314 WeakPolarHBondContact O-CA 3.46Å; I165-F315 PolarHBondContact O-N 3.21Å; I165-F367 HydrophobicContact CD1-CE1 4.26Å; I165-F367 HydrophobicContact CD1-CE2 4.13Å; I165-F367 HydrophobicContact CD1-CZ 3.66Å; I165-F367 HydrophobicContact CG1-CE1 4.31Å; I165-F367 HydrophobicContact CG1-CZ 3.73Å; I165-F367 HydrophobicContact CG2-CE1 3.92Å; I165-F367 HydrophobicContact CG2-CZ 4.21Å
166Y85Confident89.8Confident6 Ų629.5 Ų29.52%0.02414%0.141CC..EExtended strand (participates in β ladder)trans-114.6131175.9172-88.3000108.7E86 L87 Y88 K143 K168 F315E86-Y166 HydrophobicContact CB-CD1 4.41Å; E86-Y166 HydrophobicContact CB-CE1 3.92Å; L87-Y166 WeakPolarHBondContact CA-O 3.31Å; Y88-Y166 AromaticContact CD2-CD1 3.56Å; Y88-Y166 HydrophobicContact CD2-CD1 3.56Å; Y88-Y166 HydrophobicContact CD2-CE1 4.23Å; Y88-Y166 HydrophobicContact CD2-CG 4.24Å; Y88-Y166 AromaticContact CE2-CD1 3.96Å; Y88-Y166 HydrophobicContact CE2-CD1 3.96Å; Y88-Y166 HydrophobicContact CE2-CE1 4.16Å; Y88-Y166 PolarHBondContact N-O 3.1Å; Y88-Y166 PolarHBondContact O-N 3.24Å; K143-Y166 HydrophobicContact CB-CD1 4.48Å; K143-Y166 HydrophobicContact CB-CD2 3.42Å; K143-Y166 VanDerWaalsContact CB-CD2 3.42Å; K143-Y166 HydrophobicContact CB-CE2 3.69Å; K143-Y166 HydrophobicContact CB-CG 3.84Å; K143-Y166 HydrophobicContact CD-CD2 4.4Å; K143-Y166 HydrophobicContact CD-CE1 4.47Å; K143-Y166 HydrophobicContact CD-CE2 3.78Å; K143-Y166 HydrophobicContact CG-CD1 4.21Å; K143-Y166 HydrophobicContact CG-CD2 3.83Å; K143-Y166 HydrophobicContact CG-CE1 4.08Å; K143-Y166 HydrophobicContact CG-CE2 3.68Å; K143-Y166 HydrophobicContact CG-CG 4.07Å; Y166-K168 HydrophobicContact CE1-CB 3.69Å; Y166-K168 WeakPolarHBondContact OH-CD 3.47Å; Y166-F315 HydrophobicContact CD2-CB 3.99Å; Y166-F315 AromaticContact CD2-CD1 3.32Å; Y166-F315 HydrophobicContact CD2-CD1 3.32Å; Y166-F315 AromaticContact CD2-CE1 3.99Å; Y166-F315 HydrophobicContact CD2-CE1 3.99Å; Y166-F315 AromaticContact CD2-CG 3.83Å; Y166-F315 HydrophobicContact CD2-CG 3.83Å; Y166-F315 AromaticContact CE2-CD1 3.3Å; Y166-F315 HydrophobicContact CE2-CD1 3.3Å; Y166-F315 AromaticContact CE2-CE1 3.46Å; Y166-F315 HydrophobicContact CE2-CE1 3.46Å; Y166-F315 VanDerWaalsContact CE2-CE1 3.46Å; Y166-F315 HydrophobicContact CE2-CG 4.14Å; Y166-F315 HydrophobicContact CE2-CZ 4.35Å; Y166-F315 HydrophobicContact CG-CD1 4.45Å
167F83.9Confident89.9Confident2 Ų227.7 Ų27.71%0.00914%0.139CC..EExtended strand (participates in β ladder)trans-129.5129.1172.7178.4-102.7000111.4E86 L87 A169 Y219 L224 F315 I316 I357 F367E86-F167 WeakPolarHBondContact O-CA 3.46Å; L87-F167 HydrophobicContact CB-CD2 4.37Å; L87-F167 HydrophobicContact CD1-CB 4.2Å; L87-F167 HydrophobicContact CD1-CD2 4.02Å; F167-A169 HydrophobicContact CE1-CB 3.88Å; F167-A169 HydrophobicContact CE2-CB 3.72Å; F167-A169 HydrophobicContact CZ-CB 3.28Å; F167-Y219 HydrophobicContact CE1-CE1 4.15Å; F167-Y219 AromaticContact CE1-CE2 3.9Å; F167-Y219 HydrophobicContact CE1-CE2 3.9Å; F167-Y219 AromaticContact CE1-CZ 3.68Å; F167-Y219 HydrophobicContact CZ-CD2 4.16Å; F167-Y219 HydrophobicContact CZ-CE1 4.37Å; F167-Y219 AromaticContact CZ-CE2 3.94Å; F167-Y219 HydrophobicContact CZ-CE2 3.94Å; F167-Y219 HydrophobicContact CZ-CG 4.46Å; F167-L224 HydrophobicContact CE2-CD1 3.45Å; F167-L224 VanDerWaalsContact CE2-CD1 3.45Å; F167-L224 HydrophobicContact CZ-CD1 3.78Å; F167-F315 PolarHBondContact N-O 3.45Å; F167-F315 VanDerWaalsContact N-O 3.17Å; F167-I316 HydrophobicContact CD1-CG1 4.47Å; F167-I357 HydrophobicContact CD1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CG1 4.35Å; F167-I357 HydrophobicContact CE1-CG2 4.33Å; F167-I357 HydrophobicContact CG-CD1 4.36Å; F167-I357 HydrophobicContact CZ-CD1 4.37Å; F167-I357 HydrophobicContact CZ-CG2 4.32Å; F167-F367 HydrophobicContact CB-CD2 4.33Å; F167-F367 HydrophobicContact CB-CE2 3.3Å; F167-F367 HydrophobicContact CB-CZ 3.4Å; F167-F367 HydrophobicContact CD1-CE2 4.31Å; F167-F367 HydrophobicContact CD2-CE2 4.44Å; F167-F367 AromaticContact CG-CE2 3.79Å; F167-F367 HydrophobicContact CG-CE2 3.79Å; F167-F367 HydrophobicContact CG-CZ 4.37Å
168K82.3Confident90Very high65 Ų6533.6 Ų33.628%0.28317%0.166SC..EExtended strand (participates in β ladder)trans-141.2129.7167.6179.9177.5178.7178.40107.9Y85 E86 Y166Y85-K168 CarbonylContact C-O 3.51Å; Y85-K168 WeakPolarHBondContact CA-O 3.22Å; E86-K168 HydrophobicContact CB-CB 4.43Å; E86-K168 PolarHBondContact N-O 3Å; E86-K168 PolarHBondContact O-N 2.95Å; Y166-K168 HydrophobicContact CE1-CB 3.69Å; Y166-K168 WeakPolarHBondContact OH-CD 3.47Å
169A83.2Confident90.1Very high8 Ų833.4 Ų33.47%0.06617%0.171CC..EExtended strand (participates in β ladder)trans-147.7153.2179.500000114F167 Y219 G322F167-A169 HydrophobicContact CE1-CB 3.88Å; F167-A169 HydrophobicContact CE2-CB 3.72Å; F167-A169 HydrophobicContact CZ-CB 3.28Å; A169-Y219 HydrophobicContact CB-CD1 3.43Å; A169-Y219 VanDerWaalsContact CB-CD1 3.43Å; A169-Y219 HydrophobicContact CB-CE1 3.84Å; A169-Y219 HydrophobicContact CB-CG 3.91Å; A169-Y219 WeakPolarHBondContact O-CD1 3.44Å; A169-Y219 WeakPolarHBondContact O-CE1 3.29Å; A169-G322 WeakPolarHBondContact O-CA 3.28Å
170D87.6Confident90Very high27 Ų2734.5 Ų34.514%0.14418%0.177CC..  trans-42.7108.2167-32-28.1000118.6G84 K172 Y219 V220 G322 S323G84-D170 WeakPolarHBondContact CA-OD2 3.47Å; G84-D170 VanDerWaalsContact O-CA 3.25Å; G84-D170 WeakPolarHBondContact O-CA 3.17Å; G84-D170 WeakPolarHBondContact O-CB 3.47Å; G84-D170 PolarHBondContact O-N 3.17Å; D170-K172 PolarHBondContact O-N 3.26Å; D170-Y219 CarbonylContact O-C 3.59Å; D170-Y219 VanDerWaalsContact O-C 3.31Å; D170-Y219 WeakPolarHBondContact O-CA 3.34Å; D170-Y219 VanDerWaalsContact O-CB 3.26Å; D170-Y219 WeakPolarHBondContact O-CB 3.31Å; D170-Y219 VanDerWaalsContact O-CD1 3.24Å; D170-Y219 WeakPolarHBondContact O-CD1 3.3Å; D170-V220 HydrophobicContact CB-CB 4.18Å; D170-V220 HydrophobicContact CB-CG1 3.9Å; D170-V220 PolarHBondContact O-N 3.02Å; D170-G322 CarbonylContact C-O 3.55Å; D170-G322 VanDerWaalsContact C-O 3.25Å; D170-G322 WeakPolarHBondContact CA-O 3.32Å; D170-G322 WeakPolarHBondContact CB-O 3.44Å; D170-G322 WeakPolarHBondContact OD1-CA 3.43Å; D170-S323 VanDerWaalsContact CG-N 3.28Å; D170-S323 WeakPolarHBondContact OD1-CB 3.49Å; D170-S323 PolarHBondContact OD1-N 3.42Å; D170-S323 WeakPolarHBondContact OD2-CB 3.45Å
171W91.1Very high90.1Very high8 Ų840.4 Ų40.43%0.0320%0.203CC..BIsolated β-bridgetrans-68.9136.4169.6-71126.4000108.6T173 I217 Y219 M226 V318 N319 G322W171-T173 PolarHBondContact O-N 3.06Å; W171-I217 HydrophobicContact CD2-CG2 4.11Å; W171-I217 HydrophobicContact CE3-CB 4.26Å; W171-I217 HydrophobicContact CE3-CG2 3.46Å; W171-I217 VanDerWaalsContact CE3-CG2 3.46Å; W171-I217 HydrophobicContact CH2-CB 4.44Å; W171-I217 HydrophobicContact CH2-CG2 4.36Å; W171-I217 HydrophobicContact CZ3-CB 3.89Å; W171-I217 HydrophobicContact CZ3-CG2 3.62Å; W171-Y219 HydrophobicContact CD2-CD1 4.35Å; W171-Y219 HydrophobicContact CD2-CE1 4.09Å; W171-Y219 AromaticContact CE3-CD1 3.69Å; W171-Y219 HydrophobicContact CE3-CD1 3.69Å; W171-Y219 AromaticContact CE3-CE1 3.55Å; W171-Y219 HydrophobicContact CE3-CE1 3.55Å; W171-Y219 HydrophobicContact CE3-CG 4.27Å; W171-Y219 AromaticContact CH2-CE1 3.84Å; W171-Y219 HydrophobicContact CH2-CE1 3.84Å; W171-Y219 HydrophobicContact CH2-CE2 4.4Å; W171-Y219 AromaticContact CH2-CZ 3.64Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.36Å; W171-Y219 HydrophobicContact CZ2-CE1 4.34Å; W171-Y219 AromaticContact CZ3-CD1 3.9Å; W171-Y219 HydrophobicContact CZ3-CD1 3.9Å; W171-Y219 HydrophobicContact CZ3-CD2 4.3Å; W171-Y219 AromaticContact CZ3-CE1 3.41Å; W171-Y219 HydrophobicContact CZ3-CE1 3.41Å; W171-Y219 VanDerWaalsContact CZ3-CE1 3.41Å; W171-Y219 AromaticContact CZ3-CE2 3.86Å; W171-Y219 HydrophobicContact CZ3-CE2 3.86Å; W171-Y219 HydrophobicContact CZ3-CG 4.32Å; W171-Y219 AromaticContact CZ3-CZ 3.38Å; W171-M226 HydrophobicContact CH2-CB 3.72Å; W171-M226 HydrophobicContact CH2-CG 4.33Å; W171-M226 HydrophobicContact CH2-SD 3.81Å; W171-M226 HydrophobicContact CZ2-SD 4.49Å; W171-M226 HydrophobicContact CZ3-CB 3.9Å; W171-V318 HydrophobicContact CZ2-CG1 3.88Å; W171-N319 PolarHBondContact NE1-O 3.49Å; W171-G322 PolarHBondContact N-O 3.01Å
172K90.6Very high90.2Very high93 Ų9347.8 Ų47.840%0.40424%0.235SC..SBendtrans-58.8-36.7172-174-171.9-178.2176.20110.5D170 P218 E222D170-K172 PolarHBondContact O-N 3.26Å; K172-P218 HydrophobicContact CB-CB 4.29Å; K172-P218 HydrophobicContact CB-CG 4.06Å; K172-P218 WeakPolarHBondContact CB-O 3.38Å; K172-P218 HydrophobicContact CD-CB 4.45Å; K172-P218 HydrophobicContact CD-CG 4.07Å; K172-P218 PolarHBondContact N-O 3.47Å; K172-E222 HydrophobicContact CD-CG 3.96Å; K172-E222 VanDerWaalsContact CE-CD 3.43Å; K172-E222 WeakPolarHBondContact CE-OE1 3.44Å; K172-E222 IonicContact NZ-OE1 2.85Å; K172-E222 PolarHBondContact NZ-OE1 3.45Å; K172-E222 IonicContact NZ-OE2 2.75Å; K172-E222 PolarHBondContact NZ-OE2 3.2Å
173T92.5Very high90.3Very high47 Ų4750.3 Ų50.329%0.28825%0.25SS..SBendtrans-128.498.3175.6-57.20000108.3W171 M200 K202W171-T173 PolarHBondContact O-N 3.06Å; T173-M200 HydrophobicContact CG2-CE 4.42Å; T173-M200 HydrophobicContact CG2-SD 4.25Å; T173-M200 WeakPolarHBondContact O-CE 3.25Å; T173-K202 HydrophobicContact CG2-CD 4.42Å; T173-K202 HydrophobicContact CG2-CG 4.02Å
174P91.4Very high90.6Very high34 Ų3452.8 Ų52.822%0.22127%0.265CS..  trans-64.9151-178.5-25.936.3000113.6M200 K321 S323P174-M200 WeakPolarHBondContact O-CE 3.46Å; P174-K321 WeakPolarHBondContact CB-O 3.42Å; P174-S323 VanDerWaalsContact CG-O 3.3Å; P174-S323 WeakPolarHBondContact CG-O 3.17Å
175F93.1Very high90.9Very high10 Ų1052.8 Ų52.84%0.04427%0.265CS..  trans-75.7150.2168-63.6-102.8000110M198 M200 I217 V263 E320F175-M198 HydrophobicContact CB-CB 4.17Å; F175-M198 HydrophobicContact CD1-CB 3.5Å; F175-M198 HydrophobicContact CD2-CB 4.47Å; F175-M198 HydrophobicContact CD2-CE 4.31Å; F175-M198 HydrophobicContact CD2-SD 4.29Å; F175-M198 HydrophobicContact CE1-CB 3.97Å; F175-M198 HydrophobicContact CE2-CE 4.26Å; F175-M198 HydrophobicContact CG-CB 3.79Å; F175-M198 HydrophobicContact CG-SD 4.34Å; F175-M200 HydrophobicContact CB-CE 3.94Å; F175-M200 HydrophobicContact CD1-CB 4.24Å; F175-M200 HydrophobicContact CD1-CE 3.57Å; F175-M200 HydrophobicContact CD1-CG 3.94Å; F175-M200 HydrophobicContact CD1-SD 4.47Å; F175-M200 HydrophobicContact CD2-CE 3.76Å; F175-M200 HydrophobicContact CE1-CB 4.4Å; F175-M200 HydrophobicContact CE1-CE 3.93Å; F175-M200 HydrophobicContact CE1-CG 3.69Å; F175-M200 HydrophobicContact CE1-SD 4.31Å; F175-M200 HydrophobicContact CE2-CE 4.09Å; F175-M200 HydrophobicContact CG-CE 3.48Å; F175-M200 VanDerWaalsContact CG-CE 3.48Å; F175-M200 HydrophobicContact CZ-CE 4.16Å; F175-M200 HydrophobicContact CZ-CG 4.31Å; F175-M200 HydrophobicContact CZ-SD 4.47Å; F175-I217 HydrophobicContact CE2-CD1 4.27Å; F175-I217 HydrophobicContact CZ-CD1 3.91Å; F175-V263 HydrophobicContact CE1-CG1 4.25Å; F175-V263 HydrophobicContact CZ-CG1 4.21Å; F175-E320 HydrophobicContact CB-CB 3.83Å; F175-E320 HydrophobicContact CB-CG 3.95Å; F175-E320 PolarHBondContact N-O 3.29Å
176K92.6Very high91.2Very high121 Ų12155.3 Ų55.353%0.52628%0.275SS..  trans-88.1115.1174.1-80.5-179.4168.2-149.80108.7E178 L179 T180K176-E178 VanDerWaalsContact CB-CD 3.49Å; K176-E178 HydrophobicContact CB-CG 4.22Å; K176-E178 WeakPolarHBondContact CB-OE1 3.36Å; K176-E178 VanDerWaalsContact CD-OE1 3.28Å; K176-E178 WeakPolarHBondContact CD-OE1 3.39Å; K176-E178 WeakPolarHBondContact CG-OE1 3.42Å; K176-E178 IonicContact NZ-OE1 2.71Å; K176-E178 PolarHBondContact O-N 2.81Å; K176-L179 HydrophobicContact CB-CB 4.3Å; K176-L179 HydrophobicContact CB-CD1 3.96Å; K176-L179 HydrophobicContact CB-CG 3.86Å; K176-L179 HydrophobicContact CD-CD1 4.16Å; K176-L179 WeakPolarHBondContact O-CA 3.37Å; K176-L179 WeakPolarHBondContact O-CB 3.48Å; K176-L179 PolarHBondContact O-N 2.79Å; K176-T180 PolarHBondContact O-N 2.82Å
177S91.2Very high91.2Very high81 Ų8155.1 Ų55.157%0.56628%0.275SS*.G310 helixtrans-57.7-30.1179.948.20000113.2L179 T180S177-L179 PolarHBondContact O-N 2.89Å; S177-T180 WeakPolarHBondContact O-CB 3.38Å; S177-T180 PolarHBondContact O-N 2.82Å; S177-T180 VanDerWaalsContact O-N 3.12Å
178E93.3Very high91.1Very high127 Ų12759.9 Ų59.959%0.59330%0.296SS*.G310 helixtrans-67.2-17.2174.766-88-158.200113.6K176K176-E178 VanDerWaalsContact CB-CD 3.49Å; K176-E178 HydrophobicContact CB-CG 4.22Å; K176-E178 WeakPolarHBondContact CB-OE1 3.36Å; K176-E178 VanDerWaalsContact CD-OE1 3.28Å; K176-E178 WeakPolarHBondContact CD-OE1 3.39Å; K176-E178 WeakPolarHBondContact CG-OE1 3.42Å; K176-E178 IonicContact NZ-OE1 2.71Å; K176-E178 PolarHBondContact O-N 2.81Å
179L94.8Very high91Very high71 Ų7165 Ų6537%0.37232%0.32SS..G310 helixtrans-95.2-13.4173.5-57.9-176.4000112.1K176 S177 K181 Q199K176-L179 HydrophobicContact CB-CB 4.3Å; K176-L179 HydrophobicContact CB-CD1 3.96Å; K176-L179 HydrophobicContact CB-CG 3.86Å; K176-L179 HydrophobicContact CD-CD1 4.16Å; K176-L179 WeakPolarHBondContact O-CA 3.37Å; K176-L179 WeakPolarHBondContact O-CB 3.48Å; K176-L179 PolarHBondContact O-N 2.79Å; S177-L179 PolarHBondContact O-N 2.89Å; L179-K181 PolarHBondContact O-N 2.9Å; L179-Q199 HydrophobicContact CB-CG 3.85Å; L179-Q199 WeakPolarHBondContact O-CG 3.26Å; L179-Q199 PolarHBondContact O-NE2 3.03Å
180T95.2Very high91.1Very high23 Ų2368.7 Ų68.714%0.14136%0.359CS..  trans-64.2132.8175.9-61.60000110.3K176 S177 E196 M197 M198 E320K176-T180 PolarHBondContact O-N 2.82Å; S177-T180 WeakPolarHBondContact O-CB 3.38Å; S177-T180 PolarHBondContact O-N 2.82Å; S177-T180 VanDerWaalsContact O-N 3.12Å; T180-E196 HydrophobicContact CG2-CB 3.81Å; T180-M197 WeakPolarHBondContact CA-O 3.47Å; T180-M198 HydrophobicContact CG2-CG 4.5Å; T180-E320 WeakPolarHBondContact CB-OE1 3.38Å; T180-E320 VanDerWaalsContact CG2-OE1 3.31Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.35Å; T180-E320 VanDerWaalsContact OG1-CG 3.29Å; T180-E320 WeakPolarHBondContact OG1-CG 3.22Å; T180-E320 PolarHBondContact OG1-OE1 3.37Å
181K96Very high91Very high125 Ų12569.8 Ų69.854%0.54336%0.364SS..EExtended strand (participates in β ladder)trans-133.8142.4-178.8-67.2-179.2-171.4173.30112.1L179 T183 M197L179-K181 PolarHBondContact O-N 2.9Å; K181-T183 PolarHBondContact O-N 2.96Å; K181-T183 VanDerWaalsContact O-N 3.14Å; K181-T183 PolarHBondContact O-OG1 3.21Å; K181-T183 VanDerWaalsContact O-OG1 3.07Å; K181-M197 PolarHBondContact N-O 2.8Å; K181-M197 WeakPolarHBondContact O-CB 3.47Å; K181-M197 PolarHBondContact O-N 3.45Å
182K96.4Very high90.9Very high155 Ų15574.9 Ų74.967%0.67439%0.388SS*.EExtended strand (participates in β ladder)trans-59.8114.1165.9-73.1-174.9-179.1179.30110.6T194 V195 E196K182-T194 HydrophobicContact CB-CG2 3.71Å; K182-T194 HydrophobicContact CD-CG2 4.26Å; K182-T194 HydrophobicContact CG-CG2 4.1Å; K182-V195 CarbonylContact C-O 3.57Å; K182-V195 VanDerWaalsContact CA-O 3.24Å; K182-V195 WeakPolarHBondContact CA-O 3.12Å; K182-E196 WeakPolarHBondContact CE-OE1 3.37Å; K182-E196 VanDerWaalsContact CG-OE1 3.22Å; K182-E196 WeakPolarHBondContact CG-OE1 3.34Å
183T94.6Very high90.8Very high53 Ų5372.3 Ų72.333%0.32538%0.377SS..EExtended strand (participates in β ladder)trans-132.5152-175.8-52.80000109.9K181 T194 V195 M197K181-T183 PolarHBondContact O-N 2.96Å; K181-T183 VanDerWaalsContact O-N 3.14Å; K181-T183 PolarHBondContact O-OG1 3.21Å; K181-T183 VanDerWaalsContact O-OG1 3.07Å; T183-T194 CarbonylContact O-C 3.51Å; T183-T194 WeakPolarHBondContact O-CA 3.32Å; T183-V195 PolarHBondContact N-O 2.72Å; T183-V195 PolarHBondContact O-N 3.18Å; T183-M197 HydrophobicContact CG2-CE 4.34Å; T183-M197 WeakPolarHBondContact OG1-CB 3.48Å
184T94.4Very high90.7Very high51 Ų5174.6 Ų74.631%0.31339%0.391SS..EExtended strand (participates in β ladder)trans-71.8135.4174.6-56.90000110.8Y186 E192 K193T184-Y186 HydrophobicContact CG2-CD1 4.42Å; T184-Y186 HydrophobicContact CG2-CE1 4.06Å; T184-Y186 HydrophobicContact CG2-CE2 4.49Å; T184-E192 HydrophobicContact CG2-CB 3.87Å; T184-E192 HydrophobicContact CG2-CG 4.02Å; T184-E192 WeakPolarHBondContact CG2-OE2 2.89Å; T184-K193 CarbonylContact C-O 3.59Å
185F93.1Very high90.7Very high0 Ų073 Ų730%038%0.381CS..EExtended strand (participates in β ladder)trans-117.6126166.5-176.6-81.6000109.8V187 E192 K193 V195 P266 A349 D350 H351 F353 I371 P372 I376F185-V187 HydrophobicContact CD1-CG2 3.93Å; F185-V187 HydrophobicContact CE1-CG2 4.35Å; F185-V187 PolarHBondContact O-N 3.45Å; F185-E192 CarbonylContact O-C 3.5Å; F185-E192 WeakPolarHBondContact O-CA 3.28Å; F185-K193 PolarHBondContact N-O 3.09Å; F185-K193 PolarHBondContact O-N 3.29Å; F185-V195 HydrophobicContact CB-CB 4.47Å; F185-V195 HydrophobicContact CB-CG1 3.16Å; F185-V195 HydrophobicContact CB-CG2 4.42Å; F185-V195 HydrophobicContact CG-CG1 4.04Å; F185-P266 HydrophobicContact CD2-CG 4.07Å; F185-P266 HydrophobicContact CE2-CG 4.29Å; F185-A349 WeakPolarHBondContact CD2-O 3.37Å; F185-A349 WeakPolarHBondContact CE2-O 3.33Å; F185-D350 CarbonylContact C-O 3.43Å; F185-D350 WeakPolarHBondContact CA-O 3.47Å; F185-H351 WeakPolarHBondContact CE2-O 3.32Å; F185-H351 WeakPolarHBondContact CZ-O 3.44Å; F185-F353 HydrophobicContact CE2-CD1 4.28Å; F185-F353 AromaticContact CE2-CE1 3.98Å; F185-F353 HydrophobicContact CE2-CE1 3.98Å; F185-I371 HydrophobicContact CZ-CG2 4.09Å; F185-P372 HydrophobicContact CE1-CB 4.04Å; F185-P372 HydrophobicContact CZ-CB 4.38Å; F185-I376 HydrophobicContact CB-CD1 3.88Å; F185-I376 HydrophobicContact CD1-CD1 3.64Å; F185-I376 HydrophobicContact CD2-CD1 4.12Å; F185-I376 HydrophobicContact CE1-CD1 4.18Å; F185-I376 HydrophobicContact CG-CD1 3.62Å
186Y92.2Very high90.7Very high54 Ų5475.4 Ų75.421%0.21239%0.392CS..EExtended strand (participates in β ladder)trans-85.891.1-176.8-57.6-82.5000109.6T184 E192 R234 D350 P352T184-Y186 HydrophobicContact CG2-CD1 4.42Å; T184-Y186 HydrophobicContact CG2-CE1 4.06Å; T184-Y186 HydrophobicContact CG2-CE2 4.49Å; Y186-E192 HydrophobicContact CD1-CG 3.65Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.23Å; Y186-E192 HydrophobicContact CE1-CG 4.09Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.25Å; Y186-R234 HydrophobicContact CD2-CG 4.43Å; Y186-R234 HydrophobicContact CG-CG 4.34Å; Y186-D350 HydrophobicContact CD2-CB 4.39Å; Y186-D350 WeakPolarHBondContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.33Å; Y186-D350 PolarHBondContact N-O 3.45Å; Y186-P352 WeakPolarHBondContact O-CD 3.43Å
187V85.6Confident90.9Very high3 Ų369.7 Ų69.72%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-63.6-47.5-174.8174.20000111.8F185 E191 K193 P372 L382F185-V187 HydrophobicContact CD1-CG2 3.93Å; F185-V187 HydrophobicContact CE1-CG2 4.35Å; F185-V187 PolarHBondContact O-N 3.45Å; V187-E191 HydrophobicContact CB-CB 4.27Å; V187-E191 HydrophobicContact CB-CG 4.04Å; V187-E191 HydrophobicContact CG1-CG 4.34Å; V187-E191 PolarHBondContact N-O 3.13Å; V187-K193 HydrophobicContact CG2-CB 4.26Å; V187-K193 HydrophobicContact CG2-CD 3.99Å; V187-K193 HydrophobicContact CG2-CG 3.9Å; V187-P372 WeakPolarHBondContact CG1-O 3.25Å; V187-L382 HydrophobicContact CG1-CD1 4.39Å
188K82Confident91.1Very high102 Ų10265.9 Ų65.944%0.44334%0.34SS..EExtended strand (participates in β ladder)trans-158.7174.6174.761.7172.1-166.2-114.70109.1G190 E191 F235 L382K188-G190 PolarHBondContact O-N 3.01Å; K188-E191 WeakPolarHBondContact CE-OE2 3.39Å; K188-E191 HydrophobicContact CG-CB 3.59Å; K188-E191 PolarHBondContact N-O 2.95Å; K188-E191 IonicContact NZ-OE2 3.31Å; K188-E191 PolarHBondContact NZ-OE2 3.09Å; K188-E191 PolarHBondContact O-N 3.06Å; K188-E191 VanDerWaalsContact O-O 3.07Å; K188-F235 VanDerWaalsContact C-CZ 3.49Å; K188-F235 VanDerWaalsContact CA-CE1 3.43Å; K188-L382 HydrophobicContact CD-CD1 4.42Å
189Q79.9Confident91.2Very high171 Ų17161.8 Ų61.880%0.79932%0.321SS*.THydrogen-bonded Turntrans-55.5116.9175.5-167.3170.517.800110.6F235Q189-F235 HydrophobicContact CB-CE2 4.21Å
190G85.2Confident91.2Very high86 Ų8659.2 Ų59.289%0.88731%0.307SS*.THydrogen-bonded Turntrans824.7-177.600000116.1K188K188-G190 PolarHBondContact O-N 3.01Å
191E85.3Confident91.1Very high50 Ų5062.5 Ų62.523%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-127.1123175.1-171.3-175.8158.900110.8V187 K188V187-E191 HydrophobicContact CB-CB 4.27Å; V187-E191 HydrophobicContact CB-CG 4.04Å; V187-E191 HydrophobicContact CG1-CG 4.34Å; V187-E191 PolarHBondContact N-O 3.13Å; K188-E191 WeakPolarHBondContact CE-OE2 3.39Å; K188-E191 HydrophobicContact CG-CB 3.59Å; K188-E191 PolarHBondContact N-O 2.95Å; K188-E191 IonicContact NZ-OE2 3.31Å; K188-E191 PolarHBondContact NZ-OE2 3.09Å; K188-E191 PolarHBondContact O-N 3.06Å; K188-E191 VanDerWaalsContact O-O 3.07Å
192E89Confident91Very high116 Ų11661.8 Ų61.854%0.54232%0.321SS..EExtended strand (participates in β ladder)trans-128.7150.6180-66.7177.9-167.500110T184 F185 Y186T184-E192 HydrophobicContact CG2-CB 3.87Å; T184-E192 HydrophobicContact CG2-CG 4.02Å; T184-E192 WeakPolarHBondContact CG2-OE2 2.89Å; F185-E192 CarbonylContact O-C 3.5Å; F185-E192 WeakPolarHBondContact O-CA 3.28Å; Y186-E192 HydrophobicContact CD1-CG 3.65Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.23Å; Y186-E192 HydrophobicContact CE1-CG 4.09Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.25Å
193K88Confident91Very high38 Ų3861 Ų6117%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-136.9146.8175-71-173.3-179.1-177.60110.6T184 F185 V187 S378T184-K193 CarbonylContact C-O 3.59Å; F185-K193 PolarHBondContact N-O 3.09Å; F185-K193 PolarHBondContact O-N 3.29Å; V187-K193 HydrophobicContact CG2-CB 4.26Å; V187-K193 HydrophobicContact CG2-CD 3.99Å; V187-K193 HydrophobicContact CG2-CG 3.9Å; K193-S378 PolarHBondContact NZ-OG 3.12Å
194T91.8Very high91.1Very high95 Ų9558.6 Ų58.658%0.58331%0.305SS*.EExtended strand (participates in β ladder)trans-82.6127.2170.8-53.40000110K182 T183 I376K182-T194 HydrophobicContact CB-CG2 3.71Å; K182-T194 HydrophobicContact CD-CG2 4.26Å; K182-T194 HydrophobicContact CG-CG2 4.1Å; T183-T194 CarbonylContact O-C 3.51Å; T183-T194 WeakPolarHBondContact O-CA 3.32Å; T194-I376 VanDerWaalsContact O-CG2 3.28Å; T194-I376 WeakPolarHBondContact O-CG2 3.25Å
195V91.8Very high91.2Very high2 Ų256.7 Ų56.71%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-122.5152.6-177.8-33.30000110.8K182 T183 F185 M197 P266 I376K182-V195 CarbonylContact C-O 3.57Å; K182-V195 VanDerWaalsContact CA-O 3.24Å; K182-V195 WeakPolarHBondContact CA-O 3.12Å; T183-V195 PolarHBondContact N-O 2.72Å; T183-V195 PolarHBondContact O-N 3.18Å; F185-V195 HydrophobicContact CB-CB 4.47Å; F185-V195 HydrophobicContact CB-CG1 3.16Å; F185-V195 HydrophobicContact CB-CG2 4.42Å; F185-V195 HydrophobicContact CG-CG1 4.04Å; V195-M197 HydrophobicContact CG2-CB 4.23Å; V195-M197 HydrophobicContact CG2-CE 3.91Å; V195-M197 PolarHBondContact O-N 2.54Å; V195-P266 HydrophobicContact CB-CB 4.46Å; V195-P266 HydrophobicContact CG2-CB 4.06Å; V195-P266 HydrophobicContact CG2-CG 4.17Å; V195-I376 VanDerWaalsContact CA-CG2 3.49Å; V195-I376 HydrophobicContact CB-CB 4.24Å; V195-I376 HydrophobicContact CB-CD1 4.21Å; V195-I376 HydrophobicContact CB-CG1 3.73Å; V195-I376 HydrophobicContact CB-CG2 3.56Å; V195-I376 HydrophobicContact CG1-CB 3.82Å; V195-I376 HydrophobicContact CG1-CD1 3.22Å; V195-I376 HydrophobicContact CG1-CG1 3.27Å; V195-I376 HydrophobicContact CG1-CG2 3.51Å
196E92.5Very high91.4Very high60 Ų6056.7 Ų56.728%0.2829%0.293SS..EExtended strand (participates in β ladder)trans-79.8107.1165.1-62.9-60.5163.300108.6T180 K182 P266 N267T180-E196 HydrophobicContact CG2-CB 3.81Å; K182-E196 WeakPolarHBondContact CE-OE1 3.37Å; K182-E196 VanDerWaalsContact CG-OE1 3.22Å; K182-E196 WeakPolarHBondContact CG-OE1 3.34Å; E196-P266 WeakPolarHBondContact O-CA 3.08Å; E196-N267 VanDerWaalsContact CB-ND2 3.28Å; E196-N267 WeakPolarHBondContact CB-ND2 3.34Å; E196-N267 PolarHBondContact O-N 2.98Å
197M95.9Very high91.7Very high1 Ų154.8 Ų54.81%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-95.5110.8-177.9-171.869.573.700109.3T180 K181 T183 V195 H264 I265 P266 D350T180-M197 WeakPolarHBondContact CA-O 3.47Å; K181-M197 PolarHBondContact N-O 2.8Å; K181-M197 WeakPolarHBondContact O-CB 3.47Å; K181-M197 PolarHBondContact O-N 3.45Å; T183-M197 HydrophobicContact CG2-CE 4.34Å; T183-M197 WeakPolarHBondContact OG1-CB 3.48Å; V195-M197 HydrophobicContact CG2-CB 4.23Å; V195-M197 HydrophobicContact CG2-CE 3.91Å; V195-M197 PolarHBondContact O-N 2.54Å; M197-H264 HydrophobicContact CG-CB 3.88Å; M197-H264 HydrophobicContact SD-CB 3.95Å; M197-I265 VanDerWaalsContact SD-CA 3.59Å; M197-I265 PolarHBondContact SD-N 3.17Å; M197-P266 HydrophobicContact CE-CG 4.04Å; M197-P266 HydrophobicContact SD-CG 4.06Å; M197-P266 VanDerWaalsContact SD-N 3.41Å; M197-D350 HydrophobicContact CE-CB 4.28Å
198M95.3Very high92.2Very high1 Ų158.7 Ų58.71%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-75.1141.5173-48.5-179.1-65.300108.6F175 T180 H264 I265 N267 V318 E320F175-M198 HydrophobicContact CB-CB 4.17Å; F175-M198 HydrophobicContact CD1-CB 3.5Å; F175-M198 HydrophobicContact CD2-CB 4.47Å; F175-M198 HydrophobicContact CD2-CE 4.31Å; F175-M198 HydrophobicContact CD2-SD 4.29Å; F175-M198 HydrophobicContact CE1-CB 3.97Å; F175-M198 HydrophobicContact CE2-CE 4.26Å; F175-M198 HydrophobicContact CG-CB 3.79Å; F175-M198 HydrophobicContact CG-SD 4.34Å; T180-M198 HydrophobicContact CG2-CG 4.5Å; M198-H264 CarbonylContact O-C 3.31Å; M198-H264 WeakPolarHBondContact O-CA 3.27Å; M198-I265 WeakPolarHBondContact CB-O 3.48Å; M198-I265 HydrophobicContact CE-CG2 4.48Å; M198-I265 PolarHBondContact N-O 2.84Å; M198-I265 PolarHBondContact O-N 3.42Å; M198-N267 HydrophobicContact CE-CB 4.47Å; M198-N267 HydrophobicContact CG-CB 4.13Å; M198-N267 HydrophobicContact SD-CB 3.96Å; M198-V318 HydrophobicContact CE-CG1 3.94Å; M198-E320 HydrophobicContact CB-CG 4.48Å; M198-E320 HydrophobicContact CG-CG 3.85Å; M198-E320 HydrophobicContact SD-CB 4.31Å; M198-E320 HydrophobicContact SD-CG 3.78Å; M198-E320 PolarHBondContact SD-N 2.84Å; M198-E320 VanDerWaalsContact SD-N 3.38Å
199Q96.2Very high92.8Very high41 Ų4156.6 Ų56.619%0.19230%0.302CS..EExtended strand (participates in β ladder)trans-140.7146.6-179.869.8-169.2-59.900114L179 V263 H264L179-Q199 HydrophobicContact CB-CG 3.85Å; L179-Q199 WeakPolarHBondContact O-CG 3.26Å; L179-Q199 PolarHBondContact O-NE2 3.03Å; Q199-V263 CarbonylContact C-O 3.58Å; Q199-V263 WeakPolarHBondContact CA-O 3.42Å; Q199-H264 PolarHBondContact OE1-CE1 3.47Å; Q199-H264 VanDerWaalsContact OE1-CE1 3.23Å
200M94.8Very high93.3Very high17 Ų1756.2 Ų56.28%0.08431%0.305CS..EExtended strand (participates in β ladder)trans-162.2159.7171.266.116760.300113.1T173 P174 F175 K202 F204 V263T173-M200 HydrophobicContact CG2-CE 4.42Å; T173-M200 HydrophobicContact CG2-SD 4.25Å; T173-M200 WeakPolarHBondContact O-CE 3.25Å; P174-M200 WeakPolarHBondContact O-CE 3.46Å; F175-M200 HydrophobicContact CB-CE 3.94Å; F175-M200 HydrophobicContact CD1-CB 4.24Å; F175-M200 HydrophobicContact CD1-CE 3.57Å; F175-M200 HydrophobicContact CD1-CG 3.94Å; F175-M200 HydrophobicContact CD1-SD 4.47Å; F175-M200 HydrophobicContact CD2-CE 3.76Å; F175-M200 HydrophobicContact CE1-CB 4.4Å; F175-M200 HydrophobicContact CE1-CE 3.93Å; F175-M200 HydrophobicContact CE1-CG 3.69Å; F175-M200 HydrophobicContact CE1-SD 4.31Å; F175-M200 HydrophobicContact CE2-CE 4.09Å; F175-M200 HydrophobicContact CG-CE 3.48Å; F175-M200 VanDerWaalsContact CG-CE 3.48Å; F175-M200 HydrophobicContact CZ-CE 4.16Å; F175-M200 HydrophobicContact CZ-CG 4.31Å; F175-M200 HydrophobicContact CZ-SD 4.47Å; M200-K202 HydrophobicContact CG-CG 4.42Å; M200-K202 HydrophobicContact SD-CB 3.99Å; M200-K202 HydrophobicContact SD-CG 3.75Å; M200-F204 HydrophobicContact CG-CE2 4.07Å; M200-F204 HydrophobicContact SD-CE2 3.48Å; M200-F204 WeakPolarHBondContact SD-CE2 3.46Å; M200-F204 HydrophobicContact SD-CZ 3.38Å; M200-F204 WeakPolarHBondContact SD-CZ 3.47Å; M200-V263 HydrophobicContact CG-CB 4.44Å; M200-V263 PolarHBondContact N-O 3.27Å; M200-V263 PolarHBondContact O-N 2.99Å
201D93.3Very high93.7Very high91 Ų9156.6 Ų56.649%0.48728%0.284SS..EExtended strand (participates in β ladder)trans-114.998.1174-60.2-38.8000110.5E262D201-E262 VanDerWaalsContact OD1-CA 3.27Å; D201-E262 WeakPolarHBondContact OD1-CA 3.44Å; D201-E262 WeakPolarHBondContact OD1-CB 3.29Å; D201-E262 WeakPolarHBondContact OD1-CG 3.33Å
202K94.6Very high94.3Very high111 Ų11154.9 Ų54.948%0.48328%0.276SS..EExtended strand (participates in β ladder)trans-147173.4-174-69.2-64176-178.10112.2T173 M200 F204 K260 V261T173-K202 HydrophobicContact CG2-CD 4.42Å; T173-K202 HydrophobicContact CG2-CG 4.02Å; M200-K202 HydrophobicContact CG-CG 4.42Å; M200-K202 HydrophobicContact SD-CB 3.99Å; M200-K202 HydrophobicContact SD-CG 3.75Å; K202-F204 HydrophobicContact CB-CD2 4.28Å; K202-F204 HydrophobicContact CB-CE2 3.64Å; K202-F204 HydrophobicContact CB-CZ 3.94Å; K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.49Å; K202-V261 PolarHBondContact N-O 2.94Å; K202-V261 PolarHBondContact O-N 3.4Å
203E94.8Very high94.8Very high139 Ų13950.7 Ų50.765%0.6526%0.256SS*.EExtended strand (participates in β ladder)trans-85.8122.2177.4-64.7-171.3150.600111.2V258 R259 K260E203-V258 HydrophobicContact CB-CG1 3.87Å; E203-R259 CarbonylContact C-O 3.51Å; E203-R259 VanDerWaalsContact CA-O 3.26Å; E203-R259 WeakPolarHBondContact CA-O 3.22Å; E203-K260 HydrophobicContact CG-CB 4.46Å
204F96.3Very high95.3Very high1 Ų148.9 Ų48.90%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-139150.1179.1-68-60.3000111.1M200 K202 Y206 L215 I217 V258 R259 V263M200-F204 HydrophobicContact CG-CE2 4.07Å; M200-F204 HydrophobicContact SD-CE2 3.48Å; M200-F204 WeakPolarHBondContact SD-CE2 3.46Å; M200-F204 HydrophobicContact SD-CZ 3.38Å; M200-F204 WeakPolarHBondContact SD-CZ 3.47Å; K202-F204 HydrophobicContact CB-CD2 4.28Å; K202-F204 HydrophobicContact CB-CE2 3.64Å; K202-F204 HydrophobicContact CB-CZ 3.94Å; F204-Y206 PolarHBondContact O-N 3.25Å; F204-L215 HydrophobicContact CB-CD1 3.6Å; F204-L215 HydrophobicContact CD2-CD1 4.39Å; F204-L215 HydrophobicContact CG-CD1 4.24Å; F204-I217 HydrophobicContact CD1-CG1 4.32Å; F204-I217 HydrophobicContact CD1-CG2 4.37Å; F204-I217 HydrophobicContact CE1-CG1 4.45Å; F204-I217 HydrophobicContact CE1-CG2 3.89Å; F204-I217 HydrophobicContact CZ-CG2 4.35Å; F204-V258 WeakPolarHBondContact O-CA 3.22Å; F204-R259 PolarHBondContact N-O 3.47Å; F204-R259 PolarHBondContact O-N 2.95Å; F204-V263 HydrophobicContact CD2-CG2 3.77Å; F204-V263 HydrophobicContact CE2-CG2 4.07Å
205P97.1Very high95.6Very high12 Ų1244.3 Ų44.38%0.07822%0.221CC..EExtended strand (participates in β ladder)trans-48.6119.4162.4-26.531000111.1G216 L225 T256 V258P205-G216 VanDerWaalsContact CD-O 3.23Å; P205-G216 WeakPolarHBondContact CD-O 3.46Å; P205-G216 PolarHBondContact O-N 2.98Å; P205-L225 HydrophobicContact CG-CD2 4.02Å; P205-T256 WeakPolarHBondContact CB-OG1 3.29Å; P205-V258 HydrophobicContact CG-CG2 4.12Å
206Y98.4Very high95.8Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-146.4144.5-176.6-176.5-95.1000112.5F204 E208 Q213 I214 L215 I257 R259 V261 P345 F347F204-Y206 PolarHBondContact O-N 3.25Å; Y206-E208 HydrophobicContact CD1-CG 4.46Å; Y206-E208 HydrophobicContact CE1-CG 3.4Å; Y206-E208 WeakPolarHBondContact CE1-OE1 3.34Å; Y206-E208 VanDerWaalsContact CZ-CG 3.49Å; Y206-E208 WeakPolarHBondContact OH-CG 3.21Å; Y206-E208 PolarHBondContact OH-OE1 3.27Å; Y206-Q213 HydrophobicContact CE2-CB 4.38Å; Y206-Q213 PolarHBondContact OH-NE2 3.18Å; Y206-I214 CarbonylContact C-O 3.25Å; Y206-I214 VanDerWaalsContact CA-O 3.29Å; Y206-I214 WeakPolarHBondContact CA-O 3.5Å; Y206-I214 VanDerWaalsContact CD2-O 3.23Å; Y206-I214 WeakPolarHBondContact CD2-O 3.48Å; Y206-L215 HydrophobicContact CD2-CB 4.32Å; Y206-L215 HydrophobicContact CD2-CD1 4.24Å; Y206-I257 PolarHBondContact N-O 2.89Å; Y206-I257 PolarHBondContact O-N 2.85Å; Y206-R259 HydrophobicContact CD1-CG 4.38Å; Y206-V261 HydrophobicContact CD1-CG2 4.36Å; Y206-V261 HydrophobicContact CD2-CG1 4.04Å; Y206-V261 HydrophobicContact CD2-CG2 3.82Å; Y206-V261 HydrophobicContact CE2-CG1 4.13Å; Y206-V261 HydrophobicContact CG-CG2 3.69Å; Y206-P345 HydrophobicContact CD1-CG 3.95Å; Y206-P345 HydrophobicContact CE1-CB 3.68Å; Y206-P345 HydrophobicContact CE1-CG 3.55Å; Y206-F347 HydrophobicContact CE2-CB 4.23Å; Y206-F347 AromaticContact CE2-CD2 3.92Å; Y206-F347 HydrophobicContact CE2-CD2 3.92Å
207S97.7Very high96Very high13 Ų1341.4 Ų41.49%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-149.8165.5167.8620000111.3I214 S255S207-I214 PolarHBondContact N-O 3.11Å; S207-I214 PolarHBondContact O-N 3.39Å; S207-S255 WeakPolarHBondContact CB-O 3.06Å; S207-S255 WeakPolarHBondContact CB-OG 3.21Å; S207-S255 PolarHBondContact OG-OG 3.34Å
208E96Very high95.8Very high86 Ų8642.1 Ų42.140%0.40221%0.212SC..EExtended strand (participates in β ladder)trans-137.2151.5172.8-59.7-174.2-143.300110.3Y206 L212 Q213 K232Y206-E208 HydrophobicContact CD1-CG 4.46Å; Y206-E208 HydrophobicContact CE1-CG 3.4Å; Y206-E208 WeakPolarHBondContact CE1-OE1 3.34Å; Y206-E208 VanDerWaalsContact CZ-CG 3.49Å; Y206-E208 WeakPolarHBondContact OH-CG 3.21Å; Y206-E208 PolarHBondContact OH-OE1 3.27Å; E208-L212 CarbonylContact C-O 3.58Å; E208-L212 VanDerWaalsContact CA-O 3.32Å; E208-L212 WeakPolarHBondContact CA-O 3.14Å; E208-Q213 HydrophobicContact CG-CB 4.39Å; E208-Q213 HydrophobicContact CG-CG 4.04Å; E208-K232 WeakPolarHBondContact OE2-CE 3.22Å; E208-K232 IonicContact OE2-NZ 2.71Å; E208-K232 PolarHBondContact OE2-NZ 2.83Å
209T94.5Very high95.6Very high58 Ų5842.3 Ų42.336%0.35621%0.212SC..  trans-118.4-176.7164.265.90000108.6E211 L212 K232 L252T209-E211 PolarHBondContact O-N 3.37Å; T209-E211 PolarHBondContact OG1-N 3.16Å; T209-L212 PolarHBondContact N-O 3.05Å; T209-L212 WeakPolarHBondContact OG1-CB 3.26Å; T209-L212 PolarHBondContact OG1-N 3.16Å; T209-K232 WeakPolarHBondContact O-CE 3.28Å; T209-K232 PolarHBondContact O-NZ 3.19Å; T209-L252 HydrophobicContact CG2-CD2 4.34Å
210D91.6Very high95.1Very high163 Ų16343.2 Ų43.287%0.87222%0.221SC*.SBendtrans-63.8-26.5173.6-62.2-26.2000112.6
211E93.6Very high94.3Very high94 Ų9444 Ų4444%0.43923%0.226SC..SBendtrans-107.9-21.7-175-63.7-176-172.700113.7T209 P231 K232 K243T209-E211 PolarHBondContact O-N 3.37Å; T209-E211 PolarHBondContact OG1-N 3.16Å; E211-P231 CarbonylContact O-C 3.56Å; E211-P231 WeakPolarHBondContact O-CA 3.43Å; E211-K232 PolarHBondContact O-N 2.92Å; E211-K243 IonicContact OE1-NZ 3.63Å; E211-K243 PolarHBondContact OE1-NZ 3.29Å; E211-K243 IonicContact OE2-NZ 3.59Å; E211-K243 PolarHBondContact OE2-NZ 3.12Å
212L97.4Very high93.8Very high13 Ų1344.7 Ų44.77%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-136.3148.7-165.9-61.7172.5000112.9E208 T209 I214 I229 L230 P231 V240 L252E208-L212 CarbonylContact C-O 3.58Å; E208-L212 VanDerWaalsContact CA-O 3.32Å; E208-L212 WeakPolarHBondContact CA-O 3.14Å; T209-L212 PolarHBondContact N-O 3.05Å; T209-L212 WeakPolarHBondContact OG1-CB 3.26Å; T209-L212 PolarHBondContact OG1-N 3.16Å; L212-I214 HydrophobicContact CB-CD1 4.01Å; L212-I229 HydrophobicContact CD1-CG2 3.93Å; L212-I229 HydrophobicContact CD2-CG2 3.88Å; L212-I229 HydrophobicContact CG-CG2 4.35Å; L212-L230 CarbonylContact C-O 3.51Å; L212-L230 WeakPolarHBondContact CA-O 3.4Å; L212-P231 HydrophobicContact CD2-CB 4.3Å; L212-P231 HydrophobicContact CD2-CG 4.35Å; L212-V240 HydrophobicContact CD1-CG1 4.09Å; L212-V240 HydrophobicContact CD2-CB 4.28Å; L212-V240 HydrophobicContact CD2-CG1 3.9Å; L212-V240 HydrophobicContact CD2-CG2 3.4Å; L212-V240 HydrophobicContact CG-CG2 4.29Å; L212-L252 HydrophobicContact CD1-CD1 3.98Å; L212-L252 HydrophobicContact CD1-CD2 4.22Å
213Q98.3Very high93.3Very high28 Ų2844.2 Ų44.213%0.13122%0.224CC..EExtended strand (participates in β ladder)trans-108.5141.9158.2-55.4179.8-76.100108.8Y206 E208 L230 K232 K346 F347Y206-Q213 HydrophobicContact CE2-CB 4.38Å; Y206-Q213 PolarHBondContact OH-NE2 3.18Å; E208-Q213 HydrophobicContact CG-CB 4.39Å; E208-Q213 HydrophobicContact CG-CG 4.04Å; Q213-L230 PolarHBondContact N-O 2.98Å; Q213-L230 PolarHBondContact O-N 3.42Å; Q213-K232 HydrophobicContact CG-CG 4.13Å; Q213-K346 PolarHBondContact NE2-O 3.42Å; Q213-F347 HydrophobicContact CB-CD2 3.7Å; Q213-F347 HydrophobicContact CB-CE2 3.78Å
214I98.4Very high92.9Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-128.5125.2-178.9-54.188.9000108.2Y206 S207 L212 Y227 F228 I229 L252 T256Y206-I214 CarbonylContact C-O 3.25Å; Y206-I214 VanDerWaalsContact CA-O 3.29Å; Y206-I214 WeakPolarHBondContact CA-O 3.5Å; Y206-I214 VanDerWaalsContact CD2-O 3.23Å; Y206-I214 WeakPolarHBondContact CD2-O 3.48Å; S207-I214 PolarHBondContact N-O 3.11Å; S207-I214 PolarHBondContact O-N 3.39Å; L212-I214 HydrophobicContact CB-CD1 4.01Å; I214-Y227 HydrophobicContact CG2-CD1 4.29Å; I214-F228 WeakPolarHBondContact CA-O 3.33Å; I214-I229 HydrophobicContact CG1-CG1 4.23Å; I214-I229 HydrophobicContact CG2-CG1 4.23Å; I214-L252 HydrophobicContact CD1-CD2 3.8Å; I214-L252 HydrophobicContact CG1-CB 4.31Å; I214-L252 HydrophobicContact CG1-CD2 4.07Å; I214-T256 HydrophobicContact CB-CG2 4.12Å; I214-T256 HydrophobicContact CG2-CG2 3.59Å
215L98.5Very high92.8Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-127.6129.8-179.5173.767.7000109.3F204 Y206 I217 Y227 F228 V263 I265 F347F204-L215 HydrophobicContact CB-CD1 3.6Å; F204-L215 HydrophobicContact CD2-CD1 4.39Å; F204-L215 HydrophobicContact CG-CD1 4.24Å; Y206-L215 HydrophobicContact CD2-CB 4.32Å; Y206-L215 HydrophobicContact CD2-CD1 4.24Å; L215-I217 HydrophobicContact CD2-CD1 4.19Å; L215-I217 HydrophobicContact CD2-CG1 4.25Å; L215-I217 HydrophobicContact CG-CG1 4.15Å; L215-Y227 CarbonylContact O-C 3.58Å; L215-Y227 VanDerWaalsContact O-CA 3.25Å; L215-Y227 WeakPolarHBondContact O-CA 2.8Å; L215-F228 HydrophobicContact CB-CB 4.46Å; L215-F228 HydrophobicContact CD2-CD2 4.45Å; L215-F228 PolarHBondContact N-O 3.3Å; L215-F228 PolarHBondContact O-N 3.49Å; L215-V263 HydrophobicContact CD1-CG2 4.08Å; L215-V263 HydrophobicContact CD2-CB 4.3Å; L215-V263 HydrophobicContact CD2-CG1 3.6Å; L215-V263 HydrophobicContact CD2-CG2 3.72Å; L215-I265 HydrophobicContact CD2-CD1 3.81Å; L215-F347 HydrophobicContact CB-CD1 4.19Å; L215-F347 HydrophobicContact CB-CD2 3.83Å; L215-F347 HydrophobicContact CB-CE1 4.15Å; L215-F347 HydrophobicContact CB-CE2 3.76Å; L215-F347 HydrophobicContact CB-CG 4.03Å; L215-F347 HydrophobicContact CB-CZ 3.93Å; L215-F347 HydrophobicContact CD2-CB 4.23Å; L215-F347 HydrophobicContact CD2-CD1 3.47Å; L215-F347 VanDerWaalsContact CD2-CD1 3.47Å; L215-F347 HydrophobicContact CD2-CD2 4.44Å; L215-F347 HydrophobicContact CD2-CE1 3.86Å; L215-F347 HydrophobicContact CD2-CG 3.79Å; L215-F347 HydrophobicContact CD2-CZ 4.48Å; L215-F347 HydrophobicContact CG-CD1 4.49Å
216G97.2Very high92.7Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-110.9125.3170.700000110.6P205 M226P205-G216 VanDerWaalsContact CD-O 3.23Å; P205-G216 WeakPolarHBondContact CD-O 3.46Å; P205-G216 PolarHBondContact O-N 2.98Å; G216-M226 CarbonylContact C-O 3.6Å; G216-M226 WeakPolarHBondContact CA-O 3.31Å
217I95.8Very high92.6Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-109.8117.9173.6-57.2-174.9000108.5W171 F175 F204 L215 L225 M226 F228 V263 I265W171-I217 HydrophobicContact CD2-CG2 4.11Å; W171-I217 HydrophobicContact CE3-CB 4.26Å; W171-I217 HydrophobicContact CE3-CG2 3.46Å; W171-I217 VanDerWaalsContact CE3-CG2 3.46Å; W171-I217 HydrophobicContact CH2-CB 4.44Å; W171-I217 HydrophobicContact CH2-CG2 4.36Å; W171-I217 HydrophobicContact CZ3-CB 3.89Å; W171-I217 HydrophobicContact CZ3-CG2 3.62Å; F175-I217 HydrophobicContact CE2-CD1 4.27Å; F175-I217 HydrophobicContact CZ-CD1 3.91Å; F204-I217 HydrophobicContact CD1-CG1 4.32Å; F204-I217 HydrophobicContact CD1-CG2 4.37Å; F204-I217 HydrophobicContact CE1-CG1 4.45Å; F204-I217 HydrophobicContact CE1-CG2 3.89Å; F204-I217 HydrophobicContact CZ-CG2 4.35Å; L215-I217 HydrophobicContact CD2-CD1 4.19Å; L215-I217 HydrophobicContact CD2-CG1 4.25Å; L215-I217 HydrophobicContact CG-CG1 4.15Å; I217-L225 WeakPolarHBondContact O-CA 3.45Å; I217-M226 PolarHBondContact N-O 3.43Å; I217-M226 PolarHBondContact O-N 3.45Å; I217-F228 HydrophobicContact CD1-CE2 3.99Å; I217-F228 HydrophobicContact CG1-CE2 4.16Å; I217-V263 HydrophobicContact CD1-CG1 4.22Å; I217-I265 HydrophobicContact CD1-CD1 3.45Å; I217-I265 VanDerWaalsContact CD1-CD1 3.45Å
218P93Very high92.5Very high16 Ų1636.7 Ų36.710%0.10419%0.187CC..EExtended strand (participates in β ladder)trans-74.6139.4179.628.7-31.6000112.1K172 L225K172-P218 HydrophobicContact CB-CB 4.29Å; K172-P218 HydrophobicContact CB-CG 4.06Å; K172-P218 WeakPolarHBondContact CB-O 3.38Å; K172-P218 HydrophobicContact CD-CB 4.45Å; K172-P218 HydrophobicContact CD-CG 4.07Å; K172-P218 PolarHBondContact N-O 3.47Å; P218-L225 HydrophobicContact CB-CD1 4.46Å; P218-L225 HydrophobicContact CB-CG 4.17Å
219Y89.9Confident92.5Very high5 Ų532.7 Ų32.72%0.0217%0.168CC..BIsolated β-bridgetrans-77.7167.7162.5-67.1-78.7000110.6F167 A169 D170 W171 T221 E222 L224 M226 I357F167-Y219 HydrophobicContact CE1-CE1 4.15Å; F167-Y219 AromaticContact CE1-CE2 3.9Å; F167-Y219 HydrophobicContact CE1-CE2 3.9Å; F167-Y219 AromaticContact CE1-CZ 3.68Å; F167-Y219 HydrophobicContact CZ-CD2 4.16Å; F167-Y219 HydrophobicContact CZ-CE1 4.37Å; F167-Y219 AromaticContact CZ-CE2 3.94Å; F167-Y219 HydrophobicContact CZ-CE2 3.94Å; F167-Y219 HydrophobicContact CZ-CG 4.46Å; A169-Y219 HydrophobicContact CB-CD1 3.43Å; A169-Y219 VanDerWaalsContact CB-CD1 3.43Å; A169-Y219 HydrophobicContact CB-CE1 3.84Å; A169-Y219 HydrophobicContact CB-CG 3.91Å; A169-Y219 WeakPolarHBondContact O-CD1 3.44Å; A169-Y219 WeakPolarHBondContact O-CE1 3.29Å; D170-Y219 CarbonylContact O-C 3.59Å; D170-Y219 VanDerWaalsContact O-C 3.31Å; D170-Y219 WeakPolarHBondContact O-CA 3.34Å; D170-Y219 VanDerWaalsContact O-CB 3.26Å; D170-Y219 WeakPolarHBondContact O-CB 3.31Å; D170-Y219 VanDerWaalsContact O-CD1 3.24Å; D170-Y219 WeakPolarHBondContact O-CD1 3.3Å; W171-Y219 HydrophobicContact CD2-CD1 4.35Å; W171-Y219 HydrophobicContact CD2-CE1 4.09Å; W171-Y219 AromaticContact CE3-CD1 3.69Å; W171-Y219 HydrophobicContact CE3-CD1 3.69Å; W171-Y219 AromaticContact CE3-CE1 3.55Å; W171-Y219 HydrophobicContact CE3-CE1 3.55Å; W171-Y219 HydrophobicContact CE3-CG 4.27Å; W171-Y219 AromaticContact CH2-CE1 3.84Å; W171-Y219 HydrophobicContact CH2-CE1 3.84Å; W171-Y219 HydrophobicContact CH2-CE2 4.4Å; W171-Y219 AromaticContact CH2-CZ 3.64Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.36Å; W171-Y219 HydrophobicContact CZ2-CE1 4.34Å; W171-Y219 AromaticContact CZ3-CD1 3.9Å; W171-Y219 HydrophobicContact CZ3-CD1 3.9Å; W171-Y219 HydrophobicContact CZ3-CD2 4.3Å; W171-Y219 AromaticContact CZ3-CE1 3.41Å; W171-Y219 HydrophobicContact CZ3-CE1 3.41Å; W171-Y219 VanDerWaalsContact CZ3-CE1 3.41Å; W171-Y219 AromaticContact CZ3-CE2 3.86Å; W171-Y219 HydrophobicContact CZ3-CE2 3.86Å; W171-Y219 HydrophobicContact CZ3-CG 4.32Å; W171-Y219 AromaticContact CZ3-CZ 3.38Å; Y219-T221 PolarHBondContact O-N 3.12Å; Y219-T221 VanDerWaalsContact O-N 3.09Å; Y219-E222 WeakPolarHBondContact O-CA 3.37Å; Y219-E222 PolarHBondContact O-N 3.24Å; Y219-L224 HydrophobicContact CD2-CB 3.77Å; Y219-L224 WeakPolarHBondContact CD2-O 3.45Å; Y219-L224 HydrophobicContact CG-CB 4.43Å; Y219-L224 PolarHBondContact N-O 3.34Å; Y219-M226 HydrophobicContact CE2-CB 3.96Å; Y219-M226 VanDerWaalsContact OH-CE 3.26Å; Y219-M226 WeakPolarHBondContact OH-CE 3.45Å; Y219-I357 HydrophobicContact CE2-CG1 4.35Å; Y219-I357 HydrophobicContact CE2-CG2 4.32Å
220V86.1Confident92.6Very high61 Ų6130 Ų3037%0.3715%0.151SC..THydrogen-bonded Turntrans-52.9-30.2-177.362.80000113.8D83 D170 E222D83-V220 WeakPolarHBondContact O-CG1 3.33Å; D170-V220 HydrophobicContact CB-CB 4.18Å; D170-V220 HydrophobicContact CB-CG1 3.9Å; D170-V220 PolarHBondContact O-N 3.02Å; V220-E222 PolarHBondContact O-N 2.9Å
221T78.3Confident92.8Very high32 Ų3222.3 Ų22.320%0.19611%0.111CC..THydrogen-bonded Turntrans-72.8-16.817764.20000113.3Y85 Y219 K223 L224Y85-T221 HydrophobicContact CD1-CG2 3.11Å; Y85-T221 HydrophobicContact CE1-CG2 3.31Å; Y85-T221 HydrophobicContact CG-CG2 4.09Å; Y219-T221 PolarHBondContact O-N 3.12Å; Y219-T221 VanDerWaalsContact O-N 3.09Å; T221-K223 PolarHBondContact O-N 2.77Å; T221-K223 PolarHBondContact OG1-N 3.48Å; T221-L224 PolarHBondContact OG1-N 3.24Å
222E82.6Confident93Very high106 Ų10622.3 Ų22.350%0.49511%0.109SC..SBendtrans58.3-9.4-169.7-50.5-160-141.700115.6K172 Y219 V220 L225K172-E222 HydrophobicContact CD-CG 3.96Å; K172-E222 VanDerWaalsContact CE-CD 3.43Å; K172-E222 WeakPolarHBondContact CE-OE1 3.44Å; K172-E222 IonicContact NZ-OE1 2.85Å; K172-E222 PolarHBondContact NZ-OE1 3.45Å; K172-E222 IonicContact NZ-OE2 2.75Å; K172-E222 PolarHBondContact NZ-OE2 3.2Å; Y219-E222 WeakPolarHBondContact O-CA 3.37Å; Y219-E222 PolarHBondContact O-N 3.24Å; V220-E222 PolarHBondContact O-N 2.9Å; E222-L225 WeakPolarHBondContact O-CD1 3.36Å
223K82.8Confident92.8Very high101 Ų10127.8 Ų27.844%0.43913%0.134SC..SBendtrans-78-35174.8-64.5179.4-176.6179.20111.7Y78 T221 R360Y78-K223 HydrophobicContact CE1-CD 4.07Å; Y78-K223 WeakPolarHBondContact OH-CD 3.35Å; T221-K223 PolarHBondContact O-N 2.77Å; T221-K223 PolarHBondContact OG1-N 3.48Å; K223-R360 WeakPolarHBondContact O-CB 3.49Å; K223-R360 PolarHBondContact O-N 2.57Å
224L87.9Confident92.3Very high0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-98.8128.3178.3-58.4-177.1000109.6Y78 F167 Y219 T221 V358 D359 L366Y78-L224 HydrophobicContact CE2-CD2 4.14Å; F167-L224 HydrophobicContact CE2-CD1 3.45Å; F167-L224 VanDerWaalsContact CE2-CD1 3.45Å; F167-L224 HydrophobicContact CZ-CD1 3.78Å; Y219-L224 HydrophobicContact CD2-CB 3.77Å; Y219-L224 WeakPolarHBondContact CD2-O 3.45Å; Y219-L224 HydrophobicContact CG-CB 4.43Å; Y219-L224 PolarHBondContact N-O 3.34Å; T221-L224 PolarHBondContact OG1-N 3.24Å; L224-V358 WeakPolarHBondContact CA-O 3.44Å; L224-D359 HydrophobicContact CD2-CB 3.72Å; L224-L366 HydrophobicContact CD1-CD1 4.48Å; L224-L366 HydrophobicContact CD2-CD1 3.71Å
225L93Very high91.7Very high3 Ų335.8 Ų35.82%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-121.2138.9170.7-77.574.1000108.8P205 I217 P218 E222 Y227 I357 V358 R360P205-L225 HydrophobicContact CG-CD2 4.02Å; I217-L225 WeakPolarHBondContact O-CA 3.45Å; P218-L225 HydrophobicContact CB-CD1 4.46Å; P218-L225 HydrophobicContact CB-CG 4.17Å; E222-L225 WeakPolarHBondContact O-CD1 3.36Å; L225-Y227 HydrophobicContact CB-CD2 4.07Å; L225-Y227 HydrophobicContact CB-CE2 3.69Å; L225-Y227 HydrophobicContact CD2-CE1 4.49Å; L225-Y227 HydrophobicContact CD2-CE2 4.12Å; L225-I357 WeakPolarHBondContact O-CA 3.14Å; L225-V358 PolarHBondContact N-O 2.99Å; L225-V358 PolarHBondContact O-N 2.91Å; L225-R360 HydrophobicContact CD1-CB 4.2Å
226M94.8Very high91.1Very high0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-89.2114.7161.1-175.9168.8-83.300108.5W171 G216 I217 Y219 F228 F268 I316 V318 F355 A356 I357W171-M226 HydrophobicContact CH2-CB 3.72Å; W171-M226 HydrophobicContact CH2-CG 4.33Å; W171-M226 HydrophobicContact CH2-SD 3.81Å; W171-M226 HydrophobicContact CZ2-SD 4.49Å; W171-M226 HydrophobicContact CZ3-CB 3.9Å; G216-M226 CarbonylContact C-O 3.6Å; G216-M226 WeakPolarHBondContact CA-O 3.31Å; I217-M226 PolarHBondContact N-O 3.43Å; I217-M226 PolarHBondContact O-N 3.45Å; Y219-M226 HydrophobicContact CE2-CB 3.96Å; Y219-M226 VanDerWaalsContact OH-CE 3.26Å; Y219-M226 WeakPolarHBondContact OH-CE 3.45Å; M226-F228 HydrophobicContact CB-CE2 4.13Å; M226-F228 HydrophobicContact CB-CZ 4.43Å; M226-F228 HydrophobicContact CG-CD2 4.31Å; M226-F228 HydrophobicContact CG-CE1 4.25Å; M226-F228 HydrophobicContact CG-CE2 3.61Å; M226-F228 HydrophobicContact CG-CZ 3.58Å; M226-F228 HydrophobicContact SD-CE1 3.85Å; M226-F228 HydrophobicContact SD-CE2 3.94Å; M226-F228 HydrophobicContact SD-CZ 3.27Å; M226-F228 WeakPolarHBondContact SD-CZ 3.34Å; M226-F268 HydrophobicContact SD-CZ 4.37Å; M226-I316 HydrophobicContact CE-CD1 3.47Å; M226-I316 VanDerWaalsContact CE-CD1 3.47Å; M226-V318 HydrophobicContact CE-CG2 3.64Å; M226-V318 HydrophobicContact SD-CG2 4Å; M226-F355 HydrophobicContact CE-CD2 3.89Å; M226-F355 HydrophobicContact CE-CE2 4.14Å; M226-F355 HydrophobicContact SD-CD2 4.34Å; M226-A356 CarbonylContact C-O 3.46Å; M226-A356 WeakPolarHBondContact CA-O 3.37Å; M226-I357 HydrophobicContact CB-CG1 4.43Å; M226-I357 HydrophobicContact CE-CD1 3.73Å; M226-I357 HydrophobicContact CE-CG1 3.48Å; M226-I357 VanDerWaalsContact CE-CG1 3.48Å; M226-I357 HydrophobicContact CG-CG1 4.45Å
227Y96.9Very high90.5Very high4 Ų436.4 Ų36.42%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-92.1139.5171.9-74.6-83.6000110.6I214 L215 L225 F253 T256 F355 A356 V358I214-Y227 HydrophobicContact CG2-CD1 4.29Å; L215-Y227 CarbonylContact O-C 3.58Å; L215-Y227 VanDerWaalsContact O-CA 3.25Å; L215-Y227 WeakPolarHBondContact O-CA 2.8Å; L225-Y227 HydrophobicContact CB-CD2 4.07Å; L225-Y227 HydrophobicContact CB-CE2 3.69Å; L225-Y227 HydrophobicContact CD2-CE1 4.49Å; L225-Y227 HydrophobicContact CD2-CE2 4.12Å; Y227-F253 HydrophobicContact CD1-CB 4.32Å; Y227-F253 AromaticContact CD1-CD1 3.68Å; Y227-F253 HydrophobicContact CD1-CD1 3.68Å; Y227-F253 HydrophobicContact CD1-CE1 4.41Å; Y227-F253 HydrophobicContact CD1-CG 4.29Å; Y227-F253 HydrophobicContact CD2-CB 4.38Å; Y227-F253 AromaticContact CD2-CD1 3.85Å; Y227-F253 HydrophobicContact CD2-CD1 3.85Å; Y227-F253 HydrophobicContact CD2-CE1 4.23Å; Y227-F253 HydrophobicContact CD2-CG 4.03Å; Y227-F253 HydrophobicContact CE1-CB 3.98Å; Y227-F253 HydrophobicContact CE1-CD1 4.23Å; Y227-F253 HydrophobicContact CE1-CG 4.42Å; Y227-F253 HydrophobicContact CE2-CB 4.05Å; Y227-F253 HydrophobicContact CE2-CD1 4.37Å; Y227-F253 HydrophobicContact CE2-CG 4.17Å; Y227-F253 HydrophobicContact CG-CB 4.49Å; Y227-F253 AromaticContact CG-CD1 3.45Å; Y227-F253 HydrophobicContact CG-CD1 3.45Å; Y227-F253 VanDerWaalsContact CG-CD1 3.45Å; Y227-F253 AromaticContact CG-CE1 3.82Å; Y227-F253 HydrophobicContact CG-CE1 3.82Å; Y227-F253 HydrophobicContact CG-CG 4.07Å; Y227-T256 HydrophobicContact CD1-CG2 4.45Å; Y227-T256 HydrophobicContact CE1-CG2 3.99Å; Y227-F355 CarbonylContact O-C 3.59Å; Y227-F355 WeakPolarHBondContact O-CA 3.2Å; Y227-F355 WeakPolarHBondContact O-CB 3.45Å; Y227-A356 PolarHBondContact N-O 2.73Å; Y227-A356 PolarHBondContact O-N 2.96Å; Y227-V358 HydrophobicContact CD2-CB 4.03Å; Y227-V358 HydrophobicContact CD2-CG2 3.79Å; Y227-V358 HydrophobicContact CE2-CB 4.15Å; Y227-V358 HydrophobicContact CE2-CG2 4.33Å
228F96.3Very high89.7Confident1 Ų142.6 Ų42.60%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-119.1126.9172.5-57.2-94.9000108.2I214 L215 I217 M226 I265 F268 F347 F353 L354 F355I214-F228 WeakPolarHBondContact CA-O 3.33Å; L215-F228 HydrophobicContact CB-CB 4.46Å; L215-F228 HydrophobicContact CD2-CD2 4.45Å; L215-F228 PolarHBondContact N-O 3.3Å; L215-F228 PolarHBondContact O-N 3.49Å; I217-F228 HydrophobicContact CD1-CE2 3.99Å; I217-F228 HydrophobicContact CG1-CE2 4.16Å; M226-F228 HydrophobicContact CB-CE2 4.13Å; M226-F228 HydrophobicContact CB-CZ 4.43Å; M226-F228 HydrophobicContact CG-CD2 4.31Å; M226-F228 HydrophobicContact CG-CE1 4.25Å; M226-F228 HydrophobicContact CG-CE2 3.61Å; M226-F228 HydrophobicContact CG-CZ 3.58Å; M226-F228 HydrophobicContact SD-CE1 3.85Å; M226-F228 HydrophobicContact SD-CE2 3.94Å; M226-F228 HydrophobicContact SD-CZ 3.27Å; M226-F228 WeakPolarHBondContact SD-CZ 3.34Å; F228-I265 HydrophobicContact CD1-CD1 4.42Å; F228-I265 HydrophobicContact CD1-CG2 4.31Å; F228-I265 HydrophobicContact CD2-CD1 3.92Å; F228-I265 HydrophobicContact CE1-CD1 4.13Å; F228-I265 HydrophobicContact CE1-CG2 3.59Å; F228-I265 HydrophobicContact CE2-CD1 3.61Å; F228-I265 HydrophobicContact CG-CD1 4.32Å; F228-I265 HydrophobicContact CZ-CD1 3.71Å; F228-I265 HydrophobicContact CZ-CG2 3.85Å; F228-F268 HydrophobicContact CE1-CE1 4.5Å; F228-F347 HydrophobicContact CB-CE1 3.8Å; F228-F347 HydrophobicContact CB-CZ 3.46Å; F228-F347 VanDerWaalsContact CB-CZ 3.46Å; F228-F347 HydrophobicContact CG-CE1 4.37Å; F228-F347 HydrophobicContact CG-CZ 4.47Å; F228-F353 AromaticContact CD1-CD2 4Å; F228-F353 HydrophobicContact CD1-CD2 4Å; F228-F353 AromaticContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CZ 4.35Å; F228-F353 HydrophobicContact CE1-CE2 4.03Å; F228-L354 WeakPolarHBondContact CA-O 3.41Å; F228-F355 HydrophobicContact CD1-CB 4.1Å; F228-F355 HydrophobicContact CE1-CB 4.34Å
229I95.9Very high89Confident1 Ų146 Ų461%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-114.6106.8174.7-63.3164.5000107L212 I214 L249 L252 F253 F353 L354L212-I229 HydrophobicContact CD1-CG2 3.93Å; L212-I229 HydrophobicContact CD2-CG2 3.88Å; L212-I229 HydrophobicContact CG-CG2 4.35Å; I214-I229 HydrophobicContact CG1-CG1 4.23Å; I214-I229 HydrophobicContact CG2-CG1 4.23Å; I229-L249 HydrophobicContact CD1-CD1 3.4Å; I229-L252 HydrophobicContact CD1-CD1 3.91Å; I229-L252 HydrophobicContact CG2-CD1 4.41Å; I229-F253 HydrophobicContact CD1-CE1 3.77Å; I229-F253 HydrophobicContact CD1-CZ 4.5Å; I229-F253 HydrophobicContact CG1-CE1 4.45Å; I229-F353 WeakPolarHBondContact O-CB 3.09Å; I229-L354 HydrophobicContact CB-CB 4.26Å; I229-L354 HydrophobicContact CD1-CD2 3.96Å; I229-L354 PolarHBondContact N-O 2.83Å; I229-L354 PolarHBondContact O-N 3.25Å
230L97.2Very high88.6Confident1 Ų146.1 Ų46.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-109.6119.4-174.4-177.969.8000109.4L212 Q213 F347 V348 A349 H351 F353L212-L230 CarbonylContact C-O 3.51Å; L212-L230 WeakPolarHBondContact CA-O 3.4Å; Q213-L230 PolarHBondContact N-O 2.98Å; Q213-L230 PolarHBondContact O-N 3.42Å; L230-F347 HydrophobicContact CB-CD2 4.47Å; L230-F347 HydrophobicContact CB-CE1 4.41Å; L230-F347 HydrophobicContact CB-CE2 3.54Å; L230-F347 HydrophobicContact CB-CZ 3.5Å; L230-F347 VanDerWaalsContact CB-CZ 3.5Å; L230-F347 HydrophobicContact CD2-CD2 4.28Å; L230-F347 HydrophobicContact CD2-CE1 4.32Å; L230-F347 HydrophobicContact CD2-CE2 4.07Å; L230-F347 HydrophobicContact CD2-CZ 4.07Å; L230-F347 HydrophobicContact CG-CE2 4.48Å; L230-F347 HydrophobicContact CG-CZ 4.39Å; L230-V348 VanDerWaalsContact CD2-O 3.25Å; L230-V348 WeakPolarHBondContact CD2-O 3.42Å; L230-A349 HydrophobicContact CD1-CB 4.42Å; L230-H351 VanDerWaalsContact CD1-CE1 3.48Å; L230-H351 WeakPolarHBondContact CD1-CE1 3.38Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.13Å; L230-F353 HydrophobicContact CB-CB 4.48Å; L230-F353 HydrophobicContact CD1-CB 3.83Å; L230-F353 HydrophobicContact CD1-CD1 4.49Å
231P95.6Very high88.4Confident2 Ų245.5 Ų45.51%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-61142.1169.8-18.431.4000111.2E211 L212 E233 L237 V240 H351 P352E211-P231 CarbonylContact O-C 3.56Å; E211-P231 WeakPolarHBondContact O-CA 3.43Å; L212-P231 HydrophobicContact CD2-CB 4.3Å; L212-P231 HydrophobicContact CD2-CG 4.35Å; P231-E233 VanDerWaalsContact C-N 3.25Å; P231-E233 WeakPolarHBondContact CB-O 3.21Å; P231-L237 HydrophobicContact CG-CB 3.8Å; P231-L237 HydrophobicContact CG-CD1 3.87Å; P231-L237 HydrophobicContact CG-CG 4.46Å; P231-V240 HydrophobicContact CB-CG2 4.4Å; P231-V240 HydrophobicContact CG-CG2 4.21Å; P231-H351 PolarHBondContact O-CE1 3Å; P231-H351 PolarHBondContact O-NE2 3.37Å; P231-P352 VanDerWaalsContact CD-O 3.27Å; P231-P352 WeakPolarHBondContact CD-O 3.42Å
232K96.8Very high88.4Confident94 Ų9449.1 Ų49.141%0.40923%0.231SC..SBendtrans-69.8-29.6171.6-69.7-177.8172.9-177.70111.6E208 T209 E211 Q213E208-K232 WeakPolarHBondContact OE2-CE 3.22Å; E208-K232 IonicContact OE2-NZ 2.71Å; E208-K232 PolarHBondContact OE2-NZ 2.83Å; T209-K232 WeakPolarHBondContact O-CE 3.28Å; T209-K232 PolarHBondContact O-NZ 3.19Å; E211-K232 PolarHBondContact O-N 2.92Å; Q213-K232 HydrophobicContact CG-CG 4.13Å
233E94.1Very high88.3Confident128 Ų12848.8 Ų48.860%0.59823%0.228SC*.SBendtrans-84.7123.1172.5-175.3-173.7177.500110.5P231 F235 G236P231-E233 VanDerWaalsContact C-N 3.25Å; P231-E233 WeakPolarHBondContact CB-O 3.21Å; E233-F235 PolarHBondContact O-N 3.18Å; E233-G236 PolarHBondContact O-N 3.18Å
234R87.7Confident88.3Confident116 Ų11645.1 Ų45.144%0.43821%0.213SC..THydrogen-bonded Turntrans-50.1-22.4-173.3-168.3174.5-78.3155.8-0.5115.5Y186 H351 P352Y186-R234 HydrophobicContact CD2-CG 4.43Å; Y186-R234 HydrophobicContact CG-CG 4.34Å; R234-H351 VanDerWaalsContact CA-CD2 3.48Å; R234-H351 WeakPolarHBondContact CA-CD2 3.22Å; R234-H351 HydrophobicContact CG-CB 3.59Å; R234-H351 WeakPolarHBondContact O-CB 3.36Å; R234-H351 PolarHBondContact O-CD2 3.33Å; R234-P352 WeakPolarHBondContact O-CD 3.19Å
235F85.9Confident88.3Confident80 Ų8048.8 Ų48.835%0.35123%0.233SC..THydrogen-bonded Turntrans-129.819.6176.1-53-59.8000113.8K188 Q189 E233 L237 P352K188-F235 VanDerWaalsContact C-CZ 3.49Å; K188-F235 VanDerWaalsContact CA-CE1 3.43Å; Q189-F235 HydrophobicContact CB-CE2 4.21Å; E233-F235 PolarHBondContact O-N 3.18Å; F235-L237 VanDerWaalsContact C-N 3.27Å; F235-L237 PolarHBondContact O-N 3.36Å; F235-P352 HydrophobicContact CD1-CG 4.36Å
236G85Confident88.1Confident4 Ų448.9 Ų48.94%0.04123%0.234CC..THydrogen-bonded Turntrans-74.9-6.2-17600000115.2E233 K238 N239 V240E233-G236 PolarHBondContact O-N 3.18Å; G236-K238 VanDerWaalsContact C-N 3.27Å; G236-K238 PolarHBondContact O-N 3.46Å; G236-N239 WeakPolarHBondContact O-CB 3.38Å; G236-N239 PolarHBondContact O-N 3.27Å; G236-V240 PolarHBondContact O-N 2.93Å; G236-V240 VanDerWaalsContact O-N 3.12Å
237L85.1Confident87.8Confident10 Ų1054.5 Ų54.55%0.05226%0.259CS..Hα-helixtrans-58.4-36.4-172.6-171.462.4000113.2P231 F235 N239 V240 M241 P352 L354 L370P231-L237 HydrophobicContact CG-CB 3.8Å; P231-L237 HydrophobicContact CG-CD1 3.87Å; P231-L237 HydrophobicContact CG-CG 4.46Å; F235-L237 VanDerWaalsContact C-N 3.27Å; F235-L237 PolarHBondContact O-N 3.36Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 2.94Å; L237-V240 WeakPolarHBondContact O-CB 3.42Å; L237-V240 PolarHBondContact O-N 3.29Å; L237-M241 HydrophobicContact CG-CG 4.49Å; L237-M241 WeakPolarHBondContact O-CG 3.47Å; L237-M241 PolarHBondContact O-N 2.88Å; L237-P352 HydrophobicContact CB-CB 4.02Å; L237-P352 HydrophobicContact CD2-CB 3.57Å; L237-P352 HydrophobicContact CG-CB 4.48Å; L237-L354 HydrophobicContact CD1-CB 4.28Å; L237-L370 HydrophobicContact CD1-CD2 3.86Å; L237-L370 HydrophobicContact CD2-CB 4.22Å; L237-L370 HydrophobicContact CD2-CD2 3.48Å; L237-L370 VanDerWaalsContact CD2-CD2 3.48Å; L237-L370 HydrophobicContact CD2-CG 4.34Å; L237-L370 HydrophobicContact CG-CD2 3.78Å
238K78.9Confident87.5Confident130 Ų13059.2 Ų59.257%0.56528%0.279SS*.Hα-helixtrans-60.5-44.8176.6-174-179.8178-177.20111.1G236 V240 M241 T242G236-K238 VanDerWaalsContact C-N 3.27Å; G236-K238 PolarHBondContact O-N 3.46Å; K238-V240 VanDerWaalsContact C-N 3.32Å; K238-V240 PolarHBondContact O-N 3.2Å; K238-M241 PolarHBondContact O-N 2.93Å; K238-T242 WeakPolarHBondContact O-CG2 3.39Å; K238-T242 PolarHBondContact O-N 2.89Å; K238-T242 VanDerWaalsContact O-N 3.15Å
239N77.9Confident87.3Confident86 Ų8659.1 Ų59.146%0.4628%0.279SS..Hα-helixtrans-64.7-40.2179-66.1-17.7000110.8G236 L237 M241 T242 K243G236-N239 WeakPolarHBondContact O-CB 3.38Å; G236-N239 PolarHBondContact O-N 3.27Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 2.94Å; N239-M241 PolarHBondContact O-N 3Å; N239-T242 PolarHBondContact O-N 3.05Å; N239-T242 PolarHBondContact O-OG1 3.13Å; N239-K243 WeakPolarHBondContact O-CG 3.4Å; N239-K243 PolarHBondContact O-N 3.39Å
240V82.1Confident87.1Confident9 Ų959.2 Ų59.26%0.05528%0.279CS..Hα-helixtrans-58.1-50.4174.2174.20000110.6L212 P231 G236 L237 K238 T242 K243 L244L212-V240 HydrophobicContact CD1-CG1 4.09Å; L212-V240 HydrophobicContact CD2-CB 4.28Å; L212-V240 HydrophobicContact CD2-CG1 3.9Å; L212-V240 HydrophobicContact CD2-CG2 3.4Å; L212-V240 HydrophobicContact CG-CG2 4.29Å; P231-V240 HydrophobicContact CB-CG2 4.4Å; P231-V240 HydrophobicContact CG-CG2 4.21Å; G236-V240 PolarHBondContact O-N 2.93Å; G236-V240 VanDerWaalsContact O-N 3.12Å; L237-V240 WeakPolarHBondContact O-CB 3.42Å; L237-V240 PolarHBondContact O-N 3.29Å; K238-V240 VanDerWaalsContact C-N 3.32Å; K238-V240 PolarHBondContact O-N 3.2Å; V240-T242 VanDerWaalsContact C-N 3.26Å; V240-T242 PolarHBondContact O-N 3.38Å; V240-K243 PolarHBondContact O-N 2.99Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 PolarHBondContact O-N 3.45Å
241M81.9Confident87Confident48 Ų4862.5 Ų62.524%0.23630%0.297CS..Hα-helixtrans-61.9-31.9-178.2-69.3-56.2-66.100113.1Y15 L237 K238 N239 K243 L244 L354 L370Y15-M241 HydrophobicContact CD1-CE 4.03Å; Y15-M241 HydrophobicContact CE1-CE 3.94Å; L237-M241 HydrophobicContact CG-CG 4.49Å; L237-M241 WeakPolarHBondContact O-CG 3.47Å; L237-M241 PolarHBondContact O-N 2.88Å; K238-M241 PolarHBondContact O-N 2.93Å; N239-M241 PolarHBondContact O-N 3Å; M241-K243 VanDerWaalsContact C-N 3.3Å; M241-K243 PolarHBondContact O-N 3.02Å; M241-L244 HydrophobicContact SD-CD2 4.02Å; M241-L354 HydrophobicContact SD-CD2 4.23Å; M241-L370 HydrophobicContact CE-CD1 4.29Å; M241-L370 HydrophobicContact CE-CD2 4.37Å; M241-L370 HydrophobicContact CG-CD1 4.1Å; M241-L370 HydrophobicContact CG-CD2 3.92Å; M241-L370 HydrophobicContact SD-CD1 4.42Å; M241-L370 HydrophobicContact SD-CD2 3.69Å
242T77.3Confident87Confident107 Ų10763.3 Ų63.366%0.65630%0.301SS*.Hα-helixtrans-69.7-25.5175.262.50000113.8K238 N239 V240K238-T242 WeakPolarHBondContact O-CG2 3.39Å; K238-T242 PolarHBondContact O-N 2.89Å; K238-T242 VanDerWaalsContact O-N 3.15Å; N239-T242 PolarHBondContact O-N 3.05Å; N239-T242 PolarHBondContact O-OG1 3.13Å; V240-T242 VanDerWaalsContact C-N 3.26Å; V240-T242 PolarHBondContact O-N 3.38Å
243K81.1Confident86.9Confident99 Ų9959 Ų5943%0.4328%0.282SS..Hα-helixtrans-96.4-16.1-178.5-63176.4-171.2172.40112.9E211 N239 V240 M241 K248E211-K243 IonicContact OE1-NZ 3.63Å; E211-K243 PolarHBondContact OE1-NZ 3.29Å; E211-K243 IonicContact OE2-NZ 3.59Å; E211-K243 PolarHBondContact OE2-NZ 3.12Å; N239-K243 WeakPolarHBondContact O-CG 3.4Å; N239-K243 PolarHBondContact O-N 3.39Å; V240-K243 PolarHBondContact O-N 2.99Å; M241-K243 VanDerWaalsContact C-N 3.3Å; M241-K243 PolarHBondContact O-N 3.02Å; K243-K248 VanDerWaalsContact O-CD 3.32Å; K243-K248 WeakPolarHBondContact O-CD 3.37Å; K243-K248 PolarHBondContact O-NZ 3.3Å
244L83.3Confident86.8Confident25 Ų2556.9 Ų56.913%0.13128%0.275CS..  trans-77.9135.4-172.6-166.267.5000110.9L12 V240 M241 K248 L249 L252 L354L12-L244 HydrophobicContact CD1-CG 4.37Å; L12-L244 HydrophobicContact CD2-CD2 4.21Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 PolarHBondContact O-N 3.45Å; M241-L244 HydrophobicContact SD-CD2 4.02Å; L244-K248 HydrophobicContact CD1-CB 4.27Å; L244-L249 HydrophobicContact CD1-CB 4.01Å; L244-L249 HydrophobicContact CD1-CD1 4.36Å; L244-L249 HydrophobicContact CD2-CB 4.49Å; L244-L249 HydrophobicContact CD2-CD1 4.15Å; L244-L249 HydrophobicContact CG-CB 4.25Å; L244-L252 HydrophobicContact CD1-CD1 3.93Å; L244-L354 HydrophobicContact CD2-CD2 3.83Å
245N87.4Confident87.2Confident76 Ų7654 Ų5441%0.40627%0.272SS..  trans-138173.7170.565.940000109K247 K248 L249N245-K247 VanDerWaalsContact C-N 3.33Å; N245-K247 PolarHBondContact O-N 3.05Å; N245-K247 PolarHBondContact OD1-N 2.64Å; N245-K248 PolarHBondContact O-N 3.42Å; N245-K248 WeakPolarHBondContact OD1-CG 3.43Å; N245-K248 PolarHBondContact OD1-N 3.39Å; N245-L249 WeakPolarHBondContact O-CB 3.26Å; N245-L249 PolarHBondContact O-N 2.86Å
246A88.2Confident87.7Confident5 Ų550.7 Ų50.74%0.04126%0.259CS..Hα-helixtrans-54.1-48.5-174.200000113V5 A8 D9 L249 L250V5-A246 HydrophobicContact CG1-CB 3.92Å; V5-A246 WeakPolarHBondContact O-CB 3.27Å; A8-A246 HydrophobicContact CB-CB 3.95Å; D9-A246 HydrophobicContact CB-CB 3.67Å; D9-A246 VanDerWaalsContact N-CB 3.31Å; A246-L249 PolarHBondContact O-N 3.1Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 3.47Å
247K88.4Confident88.2Confident119 Ų11955.1 Ų55.152%0.51728%0.281SS..Hα-helixtrans-62.4-49.8-179.9-173.3-176.8-178.3-62.70110.9V5 N245 L249 L250 D251V5-K247 HydrophobicContact CG1-CB 4.5Å; N245-K247 VanDerWaalsContact C-N 3.33Å; N245-K247 PolarHBondContact O-N 3.05Å; N245-K247 PolarHBondContact OD1-N 2.64Å; K247-L249 VanDerWaalsContact C-N 3.3Å; K247-L249 PolarHBondContact O-N 3.35Å; K247-L250 PolarHBondContact O-N 3.36Å; K247-D251 IonicContact NZ-OD1 3.17Å; K247-D251 IonicContact NZ-OD2 2.57Å; K247-D251 PolarHBondContact NZ-OD2 3.49Å; K247-D251 WeakPolarHBondContact O-CB 3.06Å; K247-D251 PolarHBondContact O-N 3.34Å
248K90.9Very high88.7Confident102 Ų10259.2 Ų59.244%0.44331%0.306SS..Hα-helixtrans-59.8-41.6178.3-72.5-179.5-178.1179.60111.8K243 L244 N245 D251 L252K243-K248 VanDerWaalsContact O-CD 3.32Å; K243-K248 WeakPolarHBondContact O-CD 3.37Å; K243-K248 PolarHBondContact O-NZ 3.3Å; L244-K248 HydrophobicContact CD1-CB 4.27Å; N245-K248 PolarHBondContact O-N 3.42Å; N245-K248 WeakPolarHBondContact OD1-CG 3.43Å; N245-K248 PolarHBondContact OD1-N 3.39Å; K248-D251 PolarHBondContact O-N 3.28Å; K248-L252 VanDerWaalsContact O-CG 3.26Å; K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 2.97Å
249L92.3Very high89.4Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-62.1-46179-18057.3000111.5L12 I229 L244 N245 A246 K247 L252 F253 L354 I365 I368L12-L249 HydrophobicContact CD1-CB 4.31Å; L12-L249 HydrophobicContact CD1-CD2 4.05Å; L12-L249 HydrophobicContact CD2-CD2 3.91Å; L12-L249 HydrophobicContact CG-CD2 4.02Å; I229-L249 HydrophobicContact CD1-CD1 3.4Å; L244-L249 HydrophobicContact CD1-CB 4.01Å; L244-L249 HydrophobicContact CD1-CD1 4.36Å; L244-L249 HydrophobicContact CD2-CB 4.49Å; L244-L249 HydrophobicContact CD2-CD1 4.15Å; L244-L249 HydrophobicContact CG-CB 4.25Å; N245-L249 WeakPolarHBondContact O-CB 3.26Å; N245-L249 PolarHBondContact O-N 2.86Å; A246-L249 PolarHBondContact O-N 3.1Å; K247-L249 VanDerWaalsContact C-N 3.3Å; K247-L249 PolarHBondContact O-N 3.35Å; L249-L252 WeakPolarHBondContact O-CB 3.19Å; L249-L252 PolarHBondContact O-N 2.97Å; L249-F253 HydrophobicContact CD1-CE1 3.7Å; L249-F253 HydrophobicContact CD1-CE2 3.96Å; L249-F253 HydrophobicContact CD1-CZ 3.33Å; L249-F253 HydrophobicContact CD2-CE2 4.37Å; L249-F253 HydrophobicContact CD2-CZ 4.23Å; L249-F253 HydrophobicContact CG-CE1 4.39Å; L249-F253 HydrophobicContact CG-CE2 3.73Å; L249-F253 HydrophobicContact CG-CZ 3.63Å; L249-F253 WeakPolarHBondContact O-CD2 3.31Å; L249-F253 WeakPolarHBondContact O-CG 3.27Å; L249-F253 PolarHBondContact O-N 2.94Å; L249-L354 HydrophobicContact CD1-CD2 4.22Å; L249-I365 HydrophobicContact CD2-CD1 3.56Å; L249-I365 HydrophobicContact CG-CD1 4.41Å; L249-I368 HydrophobicContact CD2-CD1 4.33Å
250L92.5Very high90.2Very high3 Ų359.8 Ų59.82%0.01630%0.301CS..Hα-helixtrans-66.9-41176.3-65.5178.4000112D4 V5 A8 A246 K247 L252 F253 D254D4-L250 HydrophobicContact CB-CD1 4.22Å; V5-L250 HydrophobicContact CB-CD1 4.41Å; V5-L250 HydrophobicContact CG2-CD1 3.87Å; A8-L250 HydrophobicContact CB-CD1 3.96Å; A8-L250 HydrophobicContact CB-CD2 4.18Å; A8-L250 HydrophobicContact CB-CG 4.01Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 3.47Å; K247-L250 PolarHBondContact O-N 3.36Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 2.97Å; L250-F253 HydrophobicContact CD2-CD2 4.05Å; L250-F253 HydrophobicContact CD2-CE2 4.35Å; L250-F253 WeakPolarHBondContact O-CB 3.4Å; L250-F253 PolarHBondContact O-N 2.85Å; L250-F253 VanDerWaalsContact O-N 3.11Å; L250-D254 PolarHBondContact O-N 3.46Å
251D93.9Very high90.9Very high69 Ų6959.3 Ų59.337%0.36930%0.298SS..Hα-helixtrans-59.8-37.2175.2-67.2-19000111.1K247 K248 D254 S255K247-D251 IonicContact NZ-OD1 3.17Å; K247-D251 IonicContact NZ-OD2 2.57Å; K247-D251 PolarHBondContact NZ-OD2 3.49Å; K247-D251 WeakPolarHBondContact O-CB 3.06Å; K247-D251 PolarHBondContact O-N 3.34Å; K248-D251 PolarHBondContact O-N 3.28Å; D251-D254 PolarHBondContact O-N 3.35Å; D251-S255 VanDerWaalsContact O-CB 3.31Å; D251-S255 WeakPolarHBondContact O-CB 3.18Å; D251-S255 PolarHBondContact O-N 2.71Å
252L95.7Very high91.7Very high20 Ų2058.8 Ų58.811%0.10530%0.295CS..Hα-helixtrans-61.4-45.9173.9-73.3174.8000111.2T209 L212 I214 I229 L244 K248 L249 L250 S255T209-L252 HydrophobicContact CG2-CD2 4.34Å; L212-L252 HydrophobicContact CD1-CD1 3.98Å; L212-L252 HydrophobicContact CD1-CD2 4.22Å; I214-L252 HydrophobicContact CD1-CD2 3.8Å; I214-L252 HydrophobicContact CG1-CB 4.31Å; I214-L252 HydrophobicContact CG1-CD2 4.07Å; I229-L252 HydrophobicContact CD1-CD1 3.91Å; I229-L252 HydrophobicContact CG2-CD1 4.41Å; L244-L252 HydrophobicContact CD1-CD1 3.93Å; K248-L252 VanDerWaalsContact O-CG 3.26Å; K248-L252 WeakPolarHBondContact O-CG 3.43Å; K248-L252 PolarHBondContact O-N 2.97Å; L249-L252 WeakPolarHBondContact O-CB 3.19Å; L249-L252 PolarHBondContact O-N 2.97Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 2.97Å; L252-S255 PolarHBondContact O-N 3.39Å; L252-S255 PolarHBondContact O-OG 2.93Å
253F95.1Very high92.6Very high4 Ų453.7 Ų53.72%0.01826%0.264CS..Hα-helixtrans-62.7-43.4177.1-56.9-30000112Y227 I229 L249 L250 S255 T256 A356 V358 I365Y227-F253 HydrophobicContact CD1-CB 4.32Å; Y227-F253 AromaticContact CD1-CD1 3.68Å; Y227-F253 HydrophobicContact CD1-CD1 3.68Å; Y227-F253 HydrophobicContact CD1-CE1 4.41Å; Y227-F253 HydrophobicContact CD1-CG 4.29Å; Y227-F253 HydrophobicContact CD2-CB 4.38Å; Y227-F253 AromaticContact CD2-CD1 3.85Å; Y227-F253 HydrophobicContact CD2-CD1 3.85Å; Y227-F253 HydrophobicContact CD2-CE1 4.23Å; Y227-F253 HydrophobicContact CD2-CG 4.03Å; Y227-F253 HydrophobicContact CE1-CB 3.98Å; Y227-F253 HydrophobicContact CE1-CD1 4.23Å; Y227-F253 HydrophobicContact CE1-CG 4.42Å; Y227-F253 HydrophobicContact CE2-CB 4.05Å; Y227-F253 HydrophobicContact CE2-CD1 4.37Å; Y227-F253 HydrophobicContact CE2-CG 4.17Å; Y227-F253 HydrophobicContact CG-CB 4.49Å; Y227-F253 AromaticContact CG-CD1 3.45Å; Y227-F253 HydrophobicContact CG-CD1 3.45Å; Y227-F253 VanDerWaalsContact CG-CD1 3.45Å; Y227-F253 AromaticContact CG-CE1 3.82Å; Y227-F253 HydrophobicContact CG-CE1 3.82Å; Y227-F253 HydrophobicContact CG-CG 4.07Å; I229-F253 HydrophobicContact CD1-CE1 3.77Å; I229-F253 HydrophobicContact CD1-CZ 4.5Å; I229-F253 HydrophobicContact CG1-CE1 4.45Å; L249-F253 HydrophobicContact CD1-CE1 3.7Å; L249-F253 HydrophobicContact CD1-CE2 3.96Å; L249-F253 HydrophobicContact CD1-CZ 3.33Å; L249-F253 HydrophobicContact CD2-CE2 4.37Å; L249-F253 HydrophobicContact CD2-CZ 4.23Å; L249-F253 HydrophobicContact CG-CE1 4.39Å; L249-F253 HydrophobicContact CG-CE2 3.73Å; L249-F253 HydrophobicContact CG-CZ 3.63Å; L249-F253 WeakPolarHBondContact O-CD2 3.31Å; L249-F253 WeakPolarHBondContact O-CG 3.27Å; L249-F253 PolarHBondContact O-N 2.94Å; L250-F253 HydrophobicContact CD2-CD2 4.05Å; L250-F253 HydrophobicContact CD2-CE2 4.35Å; L250-F253 WeakPolarHBondContact O-CB 3.4Å; L250-F253 PolarHBondContact O-N 2.85Å; L250-F253 VanDerWaalsContact O-N 3.11Å; F253-S255 VanDerWaalsContact C-N 3.33Å; F253-S255 PolarHBondContact O-N 2.93Å; F253-T256 PolarHBondContact O-N 3.34Å; F253-T256 PolarHBondContact O-OG1 3.04Å; F253-A356 HydrophobicContact CZ-CB 3.84Å; F253-V358 HydrophobicContact CD2-CG2 4.04Å; F253-V358 HydrophobicContact CE2-CG2 3.64Å; F253-V358 HydrophobicContact CZ-CG2 4Å; F253-I365 HydrophobicContact CE2-CD1 4.33Å; F253-I365 HydrophobicContact CE2-CG1 4.34Å
254D93.1Very high93.4Very high83 Ų8350.3 Ų50.344%0.44425%0.25SC..Hα-helixtrans-74-24.1-177.6-65.5-25.8000113.4L250 D251 T256 R363L250-D254 PolarHBondContact O-N 3.46Å; D251-D254 PolarHBondContact O-N 3.35Å; D254-T256 PolarHBondContact O-N 3.31Å; D254-R363 IonicContact OD2-CZ 3.92Å; D254-R363 VanDerWaalsContact OD2-CZ 3.31Å; D254-R363 IonicContact OD2-NE 2.92Å; D254-R363 IonicContact OD2-NH2 2.71Å; D254-R363 PolarHBondContact OD2-NH2 3.33Å
255S95.6Very high94Very high55 Ų5549.1 Ų49.139%0.38524%0.244SC..THydrogen-bonded Turntrans-67.1-15.9176.273.30000113.4S207 D251 L252 F253S207-S255 WeakPolarHBondContact CB-O 3.06Å; S207-S255 WeakPolarHBondContact CB-OG 3.21Å; S207-S255 PolarHBondContact OG-OG 3.34Å; D251-S255 VanDerWaalsContact O-CB 3.31Å; D251-S255 WeakPolarHBondContact O-CB 3.18Å; D251-S255 PolarHBondContact O-N 2.71Å; L252-S255 PolarHBondContact O-N 3.39Å; L252-S255 PolarHBondContact O-OG 2.93Å; F253-S255 VanDerWaalsContact C-N 3.33Å; F253-S255 PolarHBondContact O-N 2.93Å
256T97Very high94.3Very high10 Ų1045.6 Ų45.66%0.06123%0.225CC..  trans-71132-177.462.50000111.8P205 I214 Y227 F253 D254P205-T256 WeakPolarHBondContact CB-OG1 3.29Å; I214-T256 HydrophobicContact CB-CG2 4.12Å; I214-T256 HydrophobicContact CG2-CG2 3.59Å; Y227-T256 HydrophobicContact CD1-CG2 4.45Å; Y227-T256 HydrophobicContact CE1-CG2 3.99Å; F253-T256 PolarHBondContact O-N 3.34Å; F253-T256 PolarHBondContact O-OG1 3.04Å; D254-T256 PolarHBondContact O-N 3.31Å
257I95.3Very high94.3Very high98 Ų9847.1 Ų47.150%0.50323%0.232SC..EExtended strand (participates in β ladder)trans-124.3143.9172.757.9170.3000110.2Y206 R259Y206-I257 PolarHBondContact N-O 2.89Å; Y206-I257 PolarHBondContact O-N 2.85Å; I257-R259 PolarHBondContact O-N 2.73Å
258V95.2Very high94.1Very high96 Ų9641.8 Ų41.858%0.58221%0.209SC*.EExtended strand (participates in β ladder)trans-64.2125.1-177.4179.50000109.7E203 F204 P205E203-V258 HydrophobicContact CB-CG1 3.87Å; F204-V258 WeakPolarHBondContact O-CA 3.22Å; P205-V258 HydrophobicContact CG-CG2 4.12Å
259R93.7Very high93.6Very high111 Ų11142.7 Ų42.742%0.41921%0.213SC..EExtended strand (participates in β ladder)trans-156.8164.5172.959.1178.163.5-177.9-10.3110.4E203 F204 Y206 I257 V261E203-R259 CarbonylContact C-O 3.51Å; E203-R259 VanDerWaalsContact CA-O 3.26Å; E203-R259 WeakPolarHBondContact CA-O 3.22Å; F204-R259 PolarHBondContact N-O 3.47Å; F204-R259 PolarHBondContact O-N 2.95Å; Y206-R259 HydrophobicContact CD1-CG 4.38Å; I257-R259 PolarHBondContact O-N 2.73Å; R259-V261 HydrophobicContact CG-CG2 4.16Å; R259-V261 PolarHBondContact O-N 3.36Å
260K95.2Very high93.1Very high116 Ų11643.7 Ų43.750%0.50422%0.218SC..EExtended strand (participates in β ladder)trans-65.5127.1174-167.8176.5-178-178.70110.6K202 E203 P344 P345K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.49Å; E203-K260 HydrophobicContact CG-CB 4.46Å; K260-P344 HydrophobicContact CB-CB 4.32Å; K260-P344 HydrophobicContact CD-CB 4.46Å; K260-P344 HydrophobicContact CG-CB 4.05Å; K260-P344 WeakPolarHBondContact O-CB 3.41Å; K260-P345 WeakPolarHBondContact O-CD 3.12Å
261V96.7Very high92.6Very high0 Ų048.2 Ų48.20%024%0.239CC..EExtended strand (participates in β ladder)trans-133.3138.4177.9-172.10000108.5K202 Y206 R259 V263 P345 F347K202-V261 PolarHBondContact N-O 2.94Å; K202-V261 PolarHBondContact O-N 3.4Å; Y206-V261 HydrophobicContact CD1-CG2 4.36Å; Y206-V261 HydrophobicContact CD2-CG1 4.04Å; Y206-V261 HydrophobicContact CD2-CG2 3.82Å; Y206-V261 HydrophobicContact CE2-CG1 4.13Å; Y206-V261 HydrophobicContact CG-CG2 3.69Å; R259-V261 HydrophobicContact CG-CG2 4.16Å; R259-V261 PolarHBondContact O-N 3.36Å; V261-V263 HydrophobicContact CB-CG2 3.98Å; V261-V263 HydrophobicContact CG1-CG2 3.8Å; V261-P345 HydrophobicContact CG1-CG 4.43Å; V261-P345 VanDerWaalsContact CG1-O 3.32Å; V261-P345 WeakPolarHBondContact CG1-O 3.49Å; V261-P345 HydrophobicContact CG2-CG 4.21Å; V261-F347 HydrophobicContact CG1-CB 3.94Å
262E97.1Very high92.1Very high36 Ų3646 Ų4617%0.16823%0.227CC..EExtended strand (participates in β ladder)trans-84.8110.7164.5171.3178159.200107.7D201 H264 P345 K346 F347D201-E262 VanDerWaalsContact OD1-CA 3.27Å; D201-E262 WeakPolarHBondContact OD1-CA 3.44Å; D201-E262 WeakPolarHBondContact OD1-CB 3.29Å; D201-E262 WeakPolarHBondContact OD1-CG 3.33Å; E262-H264 WeakPolarHBondContact CG-NE2 3.37Å; E262-H264 IonicContact OE1-CD2 3.75Å; E262-H264 IonicContact OE1-CE1 2.67Å; E262-H264 IonicContact OE1-NE2 3.73Å; E262-H264 PolarHBondContact OE1-NE2 2.76Å; E262-P345 PolarHBondContact N-O 3.49Å; E262-K346 HydrophobicContact CB-CG 4.19Å; E262-K346 HydrophobicContact CG-CG 4.31Å; E262-K346 CarbonylContact O-C 3.57Å; E262-K346 WeakPolarHBondContact O-CA 3.43Å; E262-K346 IonicContact OE1-NZ 3.5Å; E262-K346 PolarHBondContact OE1-NZ 3.28Å; E262-K346 WeakPolarHBondContact OE2-CE 3.27Å; E262-K346 IonicContact OE2-NZ 3.9Å; E262-K346 PolarHBondContact OE2-NZ 3.36Å; E262-F347 PolarHBondContact O-N 2.94Å
263V98Very high91.5Very high0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-107.9129.9-170.8176.40000110F175 Q199 M200 F204 L215 I217 V261 I265F175-V263 HydrophobicContact CE1-CG1 4.25Å; F175-V263 HydrophobicContact CZ-CG1 4.21Å; Q199-V263 CarbonylContact C-O 3.58Å; Q199-V263 WeakPolarHBondContact CA-O 3.42Å; M200-V263 HydrophobicContact CG-CB 4.44Å; M200-V263 PolarHBondContact N-O 3.27Å; M200-V263 PolarHBondContact O-N 2.99Å; F204-V263 HydrophobicContact CD2-CG2 3.77Å; F204-V263 HydrophobicContact CE2-CG2 4.07Å; L215-V263 HydrophobicContact CD1-CG2 4.08Å; L215-V263 HydrophobicContact CD2-CB 4.3Å; L215-V263 HydrophobicContact CD2-CG1 3.6Å; L215-V263 HydrophobicContact CD2-CG2 3.72Å; I217-V263 HydrophobicContact CD1-CG1 4.22Å; V261-V263 HydrophobicContact CB-CG2 3.98Å; V261-V263 HydrophobicContact CG1-CG2 3.8Å; V263-I265 HydrophobicContact CG1-CD1 3.39Å; V263-I265 HydrophobicContact CG1-CG1 3.64Å
264H97.8Very high91Very high28 Ų2848.5 Ų48.513%0.1324%0.24CC..EExtended strand (participates in β ladder)trans-129.3111.5171-60.2-107.9000109M197 M198 Q199 E262 F347 V348 A349M197-H264 HydrophobicContact CG-CB 3.88Å; M197-H264 HydrophobicContact SD-CB 3.95Å; M198-H264 CarbonylContact O-C 3.31Å; M198-H264 WeakPolarHBondContact O-CA 3.27Å; Q199-H264 PolarHBondContact OE1-CE1 3.47Å; Q199-H264 VanDerWaalsContact OE1-CE1 3.23Å; E262-H264 WeakPolarHBondContact CG-NE2 3.37Å; E262-H264 IonicContact OE1-CD2 3.75Å; E262-H264 IonicContact OE1-CE1 2.67Å; E262-H264 IonicContact OE1-NE2 3.73Å; E262-H264 PolarHBondContact OE1-NE2 2.76Å; H264-F347 PolarHBondContact N-O 3.48Å; H264-V348 HydrophobicContact CB-CB 4.49Å; H264-V348 HydrophobicContact CB-CG1 4.23Å; H264-V348 HydrophobicContact CB-CG2 4.39Å; H264-A349 PolarHBondContact O-N 3.12Å
265I95Very high90.7Very high1 Ų149.8 Ų49.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-133.6134.7-176.9-61.2166.7000110M197 M198 L215 I217 F228 V263 F347 A349M197-I265 VanDerWaalsContact SD-CA 3.59Å; M197-I265 PolarHBondContact SD-N 3.17Å; M198-I265 WeakPolarHBondContact CB-O 3.48Å; M198-I265 HydrophobicContact CE-CG2 4.48Å; M198-I265 PolarHBondContact N-O 2.84Å; M198-I265 PolarHBondContact O-N 3.42Å; L215-I265 HydrophobicContact CD2-CD1 3.81Å; I217-I265 HydrophobicContact CD1-CD1 3.45Å; I217-I265 VanDerWaalsContact CD1-CD1 3.45Å; F228-I265 HydrophobicContact CD1-CD1 4.42Å; F228-I265 HydrophobicContact CD1-CG2 4.31Å; F228-I265 HydrophobicContact CD2-CD1 3.92Å; F228-I265 HydrophobicContact CE1-CD1 4.13Å; F228-I265 HydrophobicContact CE1-CG2 3.59Å; F228-I265 HydrophobicContact CE2-CD1 3.61Å; F228-I265 HydrophobicContact CG-CD1 4.32Å; F228-I265 HydrophobicContact CZ-CD1 3.71Å; F228-I265 HydrophobicContact CZ-CG2 3.85Å; V263-I265 HydrophobicContact CG1-CD1 3.39Å; V263-I265 HydrophobicContact CG1-CG1 3.64Å; I265-F347 HydrophobicContact CG1-CD1 4.4Å; I265-F347 HydrophobicContact CG1-CE1 4.37Å; I265-A349 HydrophobicContact CG1-CB 4.44Å
266P93.1Very high90.5Very high1 Ų147.2 Ų47.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-62.1143.6174.7-21.132.1000111.8F185 V195 E196 M197 F268 A349 F353F185-P266 HydrophobicContact CD2-CG 4.07Å; F185-P266 HydrophobicContact CE2-CG 4.29Å; V195-P266 HydrophobicContact CB-CB 4.46Å; V195-P266 HydrophobicContact CG2-CB 4.06Å; V195-P266 HydrophobicContact CG2-CG 4.17Å; E196-P266 WeakPolarHBondContact O-CA 3.08Å; M197-P266 HydrophobicContact CE-CG 4.04Å; M197-P266 HydrophobicContact SD-CG 4.06Å; M197-P266 VanDerWaalsContact SD-N 3.41Å; P266-F268 VanDerWaalsContact O-CD1 3.28Å; P266-F268 WeakPolarHBondContact O-CD1 3.25Å; P266-A349 WeakPolarHBondContact CD-O 3.38Å; P266-F353 HydrophobicContact CG-CE1 4.32Å
267N88.5Confident90.2Very high37 Ų3749.1 Ų49.120%0.19823%0.231CC..  trans-71.2148.915772.721.3000109.4E196 M198 V318E196-N267 VanDerWaalsContact CB-ND2 3.28Å; E196-N267 WeakPolarHBondContact CB-ND2 3.34Å; E196-N267 PolarHBondContact O-N 2.98Å; M198-N267 HydrophobicContact CE-CB 4.47Å; M198-N267 HydrophobicContact CG-CB 4.13Å; M198-N267 HydrophobicContact SD-CB 3.96Å; N267-V318 WeakPolarHBondContact CA-O 3.24Å; N267-V318 WeakPolarHBondContact CB-O 3.47Å
268F84.4Confident89.8Confident8 Ų849.9 Ų49.94%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-160.7156.4177.755.7-93.4000112M226 F228 P266 L270 V318 F353 F355 I371 A375M226-F268 HydrophobicContact SD-CZ 4.37Å; F228-F268 HydrophobicContact CE1-CE1 4.5Å; P266-F268 VanDerWaalsContact O-CD1 3.28Å; P266-F268 WeakPolarHBondContact O-CD1 3.25Å; F268-L270 HydrophobicContact CD2-CD1 4.01Å; F268-L270 HydrophobicContact CD2-CG 4.02Å; F268-L270 HydrophobicContact CE2-CD1 4.13Å; F268-V318 HydrophobicContact CD1-CB 4.22Å; F268-V318 HydrophobicContact CD1-CG1 4.41Å; F268-V318 HydrophobicContact CD2-CB 4.13Å; 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 4.16Å; F268-V318 HydrophobicContact CE2-CB 3.91Å; F268-V318 HydrophobicContact CE2-CG2 3.51Å; F268-V318 HydrophobicContact CG-CB 4.29Å; F268-V318 HydrophobicContact CZ-CB 3.83Å; F268-V318 HydrophobicContact CZ-CG1 4.18Å; F268-V318 HydrophobicContact CZ-CG2 3.51Å; F268-V318 PolarHBondContact N-O 3.09Å; F268-V318 PolarHBondContact O-N 3.03Å; F268-F353 HydrophobicContact CE1-CZ 4.43Å; F268-F355 HydrophobicContact CE2-CE1 4.05Å; F268-F355 HydrophobicContact CE2-CZ 4.08Å; F268-F355 HydrophobicContact CZ-CD1 4.28Å; F268-F355 HydrophobicContact CZ-CE1 4.28Å; F268-F355 HydrophobicContact CZ-CG 4.49Å; F268-I371 HydrophobicContact CD1-CD1 3.5Å; F268-I371 VanDerWaalsContact CD1-CD1 3.5Å; F268-I371 HydrophobicContact CD2-CD1 3.77Å; F268-I371 HydrophobicContact CE1-CD1 3.43Å; F268-I371 VanDerWaalsContact CE1-CD1 3.43Å; F268-I371 HydrophobicContact CE2-CD1 3.69Å; F268-I371 HydrophobicContact CG-CD1 3.67Å; F268-I371 HydrophobicContact CZ-CD1 3.52Å; F268-A375 HydrophobicContact CB-CB 4.01Å
269K81.3Confident89.4Confident120 Ų12045.3 Ų45.352%0.52221%0.205SC..EExtended strand (participates in β ladder)trans-132.3127.6175.2178.1176.5169.5163.90108.6F315 I316 E317K269-F315 HydrophobicContact CD-CE2 4.38Å; K269-F315 HydrophobicContact CD-CZ 4.15Å; K269-F315 HydrophobicContact CG-CE2 4.32Å; K269-F315 HydrophobicContact CG-CZ 4.15Å; K269-I316 WeakPolarHBondContact CA-O 3.4Å; K269-E317 HydrophobicContact CB-CG 4.44Å; K269-E317 HydrophobicContact CG-CG 4.49Å
270L81.8Confident89.4Confident22 Ų2240 Ų4012%0.11519%0.185CC..EExtended strand (participates in β ladder)trans-124.9132.2-179.1-54169.3000109.6F26 F268 F315 I316 F355 A375F26-L270 HydrophobicContact CB-CB 4.23Å; F26-L270 HydrophobicContact CB-CD1 4.46Å; F26-L270 HydrophobicContact CD1-CB 4.07Å; F26-L270 HydrophobicContact CD2-CD1 4.14Å; F26-L270 HydrophobicContact CG-CB 4.02Å; F26-L270 HydrophobicContact CG-CD1 4.34Å; F268-L270 HydrophobicContact CD2-CD1 4.01Å; F268-L270 HydrophobicContact CD2-CG 4.02Å; F268-L270 HydrophobicContact CE2-CD1 4.13Å; L270-F315 WeakPolarHBondContact O-CA 3.32Å; L270-I316 HydrophobicContact CB-CG2 3.77Å; L270-I316 HydrophobicContact CD1-CG2 4.15Å; L270-I316 HydrophobicContact CG-CG2 4.25Å; L270-I316 PolarHBondContact N-O 2.94Å; L270-I316 PolarHBondContact O-N 2.9Å; L270-F355 HydrophobicContact CD1-CE1 3.73Å; L270-F355 HydrophobicContact CD1-CZ 3.67Å; L270-A375 HydrophobicContact CD2-CB 3.74Å
271E81.3Confident89.3Confident98 Ų9838.3 Ų38.346%0.45818%0.179SC..EExtended strand (participates in β ladder)trans-137.1129.8171.3-176.1178.7167.600106.8K313 A314 F315E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 3.83Å; E271-K313 PolarHBondContact OE1-NZ 2.86Å; E271-A314 WeakPolarHBondContact CA-O 3.45Å; E271-F315 HydrophobicContact CB-CD2 3.95Å; E271-F315 HydrophobicContact CG-CD2 4.09Å
272H83.4Confident88.8Confident22 Ų2245 Ų4510%0.10220%0.204CC..EExtended strand (participates in β ladder)trans-147.8136.1-178.7-175.664.3000112.5D22 S24 F26 K313 A314D22-H272 IonicContact OD2-CE1 2.64Å; D22-H272 IonicContact OD2-NE2 3.04Å; S24-H272 PolarHBondContact O-CE1 3.15Å; S24-H272 PolarHBondContact O-NE2 3.45Å; F26-H272 HydrophobicContact CB-CB 4.06Å; H272-K313 WeakPolarHBondContact O-CA 3.48Å; H272-A314 PolarHBondContact N-O 2.82Å; H272-A314 VanDerWaalsContact N-O 3.1Å; H272-A314 PolarHBondContact O-N 3.33Å; H272-A314 VanDerWaalsContact O-N 3.1Å
273D83.3Confident88.4Confident72 Ų7243.9 Ų43.939%0.38520%0.199SC..EExtended strand (participates in β ladder)trans-111.6115.4-178.7-55.9-5.2000107.4K313D273-K313 WeakPolarHBondContact OD1-CD 3.47Å; D273-K313 WeakPolarHBondContact OD1-CE 3.37Å; D273-K313 WeakPolarHBondContact OD1-CG 3.43Å; D273-K313 IonicContact OD1-NZ 3.84Å; D273-K313 PolarHBondContact OD1-NZ 3.21Å; D273-K313 IonicContact OD2-NZ 2.66Å; D273-K313 PolarHBondContact OD2-NZ 3.21Å
274L84.7Confident88.1Confident4 Ų445 Ų452%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-118.2124.1-173.3178.963.1000110.8A18 D22 I27 L276 V279 H312A18-L274 HydrophobicContact CB-CD2 3.97Å; D22-L274 HydrophobicContact CB-CD1 3.58Å; D22-L274 VanDerWaalsContact OD2-CD1 3.3Å; D22-L274 WeakPolarHBondContact OD2-CD1 3.39Å; I27-L274 HydrophobicContact CG2-CD2 3.63Å; L274-L276 HydrophobicContact CD2-CD2 3.68Å; L274-L276 HydrophobicContact CG-CD2 4.06Å; L274-L276 PolarHBondContact O-N 3.01Å; L274-V279 HydrophobicContact CD1-CG2 4.04Å; L274-V279 HydrophobicContact CD2-CG2 4.34Å; L274-V279 HydrophobicContact CG-CG2 4.44Å; L274-H312 HydrophobicContact CB-CB 4.22Å; L274-H312 PolarHBondContact N-O 3.28Å; L274-H312 PolarHBondContact O-N 2.92Å
275K86.6Confident88Confident111 Ų11143.8 Ų43.848%0.48321%0.205SC..EExtended strand (participates in β ladder)trans-78.198.4166.9-67.7-174-178-178.30109.3K277 F311K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 2.71Å; K275-F311 HydrophobicContact CG-CD1 4.37Å; K275-F311 HydrophobicContact CG-CE1 4.18Å
276L90.4Very high88.1Confident0 Ų046.7 Ų46.70%022%0.223CC..Hα-helixtrans-65.7-27.2-173.1-71.4177.9000113.5I32 L274 Q278 V279 L280 A310 H312I32-L276 HydrophobicContact CD1-CD2 3.76Å; I32-L276 HydrophobicContact CG1-CD1 4.28Å; I32-L276 HydrophobicContact CG1-CD2 4.16Å; I32-L276 HydrophobicContact CG2-CD1 4.11Å; I32-L276 HydrophobicContact CG2-CD2 4.31Å; L274-L276 HydrophobicContact CD2-CD2 3.68Å; L274-L276 HydrophobicContact CG-CD2 4.06Å; L274-L276 PolarHBondContact O-N 3.01Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.15Å; L276-V279 WeakPolarHBondContact O-CA 3.42Å; L276-V279 WeakPolarHBondContact O-CB 3.17Å; L276-V279 PolarHBondContact O-N 2.87Å; L276-L280 HydrophobicContact CB-CD1 3.75Å; L276-L280 HydrophobicContact CB-CG 4.09Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.44Å; L276-A310 HydrophobicContact CB-CB 3.83Å; L276-A310 HydrophobicContact CD1-CB 4.37Å; L276-A310 PolarHBondContact N-O 2.94Å; L276-H312 HydrophobicContact CD1-CB 3.78Å; L276-H312 HydrophobicContact CD2-CB 3.78Å; L276-H312 HydrophobicContact CG-CB 3.64Å
277K90.7Very high88.3Confident51 Ų5147.2 Ų47.222%0.22223%0.226CC..Hα-helixtrans-48.2-49.6-174.2178.7168.2177.7176.20113.8K275 L280 Q281 F289 S308 E309K275-K277 VanDerWaalsContact C-N 3.27Å; K275-K277 PolarHBondContact O-N 2.71Å; K277-L280 PolarHBondContact O-N 2.87Å; K277-Q281 WeakPolarHBondContact O-CB 3.24Å; K277-Q281 VanDerWaalsContact O-CG 3.29Å; K277-Q281 WeakPolarHBondContact O-CG 3.5Å; K277-Q281 PolarHBondContact O-N 2.89Å; K277-F289 HydrophobicContact CB-CD1 4.34Å; K277-F289 HydrophobicContact CB-CE1 3.93Å; K277-F289 HydrophobicContact CB-CZ 4.25Å; K277-F289 HydrophobicContact CD-CD1 3.89Å; K277-F289 HydrophobicContact CD-CE1 4.26Å; K277-F289 HydrophobicContact CD-CG 4.48Å; K277-F289 HydrophobicContact CG-CD1 3.65Å; K277-F289 HydrophobicContact CG-CD2 4.44Å; K277-F289 HydrophobicContact CG-CE1 3.75Å; K277-F289 HydrophobicContact CG-CG 4.04Å; K277-F289 HydrophobicContact CG-CZ 4.21Å; K277-S308 PolarHBondContact NZ-O 3.26Å; K277-E309 WeakPolarHBondContact CD-OE1 3.37Å; K277-E309 IonicContact NZ-OE1 2.61Å; K277-E309 PolarHBondContact NZ-OE1 3.32Å
278Q87.8Confident88.7Confident114 Ų11445.5 Ų45.553%0.53322%0.217SC..Hα-helixtrans-68.2-39.1-179.7-64.8-178.719.900112.2A21 L276 R282A21-Q278 HydrophobicContact CB-CB 4.47Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.15Å; Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.47Å; Q278-R282 VanDerWaalsContact O-N 3.1Å
279V87.5Confident89.2Confident0 Ų045.7 Ų45.70%022%0.217CC..Hα-helixtrans-60.7-47.9175.5-179.50000110.4T14 E17 A18 A21 L274 L276 R282 L283T14-V279 HydrophobicContact CG2-CG1 4.25Å; E17-V279 HydrophobicContact CB-CG1 3.78Å; A18-V279 HydrophobicContact CB-CG1 4.29Å; A18-V279 HydrophobicContact CB-CG2 4.2Å; A21-V279 HydrophobicContact CB-CG2 3.72Å; L274-V279 HydrophobicContact CD1-CG2 4.04Å; L274-V279 HydrophobicContact CD2-CG2 4.34Å; L274-V279 HydrophobicContact CG-CG2 4.44Å; L276-V279 WeakPolarHBondContact O-CA 3.42Å; L276-V279 WeakPolarHBondContact O-CB 3.17Å; L276-V279 PolarHBondContact O-N 2.87Å; V279-R282 PolarHBondContact O-N 3.21Å; V279-L283 WeakPolarHBondContact O-CG 3.26Å; V279-L283 PolarHBondContact O-N 3.12Å
280L92.6Very high89.9Confident0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-68.1-39.5-177.7-62.2174.2000111.7L36 L276 K277 R282 L283 G284 L285 F289 A310L36-L280 HydrophobicContact CD1-CD1 4.49Å; L36-L280 HydrophobicContact CD1-CD2 3.49Å; L36-L280 VanDerWaalsContact CD1-CD2 3.49Å; L36-L280 HydrophobicContact CD2-CD1 3.79Å; L36-L280 HydrophobicContact CD2-CD2 4.22Å; L36-L280 HydrophobicContact CG-CD2 4.46Å; L276-L280 HydrophobicContact CB-CD1 3.75Å; L276-L280 HydrophobicContact CB-CG 4.09Å; L276-L280 WeakPolarHBondContact O-CB 3.39Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.44Å; K277-L280 PolarHBondContact O-N 2.87Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.1Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.28Å; L280-G284 PolarHBondContact O-N 2.92Å; L280-L285 HydrophobicContact CB-CB 4.24Å; L280-L285 HydrophobicContact CB-CD1 4.18Å; L280-L285 HydrophobicContact CD2-CD1 3.88Å; L280-L285 VanDerWaalsContact O-CB 3.31Å; L280-L285 WeakPolarHBondContact O-CB 3.44Å; L280-L285 PolarHBondContact O-N 3.02Å; L280-F289 HydrophobicContact CB-CE2 3.73Å; L280-F289 HydrophobicContact CB-CZ 3.93Å; L280-F289 HydrophobicContact CD1-CE2 4.35Å; L280-F289 HydrophobicContact CD1-CZ 3.73Å; L280-F289 HydrophobicContact CG-CZ 4.47Å; L280-A310 HydrophobicContact CD1-CB 4.25Å
281Q92.6Very high90.4Very high79 Ų7946 Ų4637%0.36923%0.229SC..Hα-helixtrans-59.8-42.3172.3-75.7177.4-38.800111.8K277 L283 G284 F289K277-Q281 WeakPolarHBondContact O-CB 3.24Å; K277-Q281 VanDerWaalsContact O-CG 3.29Å; K277-Q281 WeakPolarHBondContact O-CG 3.5Å; K277-Q281 PolarHBondContact O-N 2.89Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 2.92Å; Q281-G284 WeakPolarHBondContact O-CA 3.5Å; Q281-G284 PolarHBondContact O-N 2.92Å; Q281-F289 HydrophobicContact CG-CD2 3.73Å; Q281-F289 HydrophobicContact CG-CE2 4.19Å; Q281-F289 HydrophobicContact CG-CG 4.49Å
282R87.9Confident90.9Very high141 Ų14144.7 Ų44.753%0.53224%0.242SC..Hα-helixtrans-66.3-32.7175.8-70.9175.3175.3-86.3-2.5113.3E17 Q278 V279 L280 G284E17-R282 HydrophobicContact CB-CB 4.28Å; E17-R282 HydrophobicContact CG-CB 4.07Å; E17-R282 WeakPolarHBondContact OE2-CB 3.44Å; E17-R282 WeakPolarHBondContact OE2-CD 3.48Å; Q278-R282 WeakPolarHBondContact O-CG 3.42Å; Q278-R282 PolarHBondContact O-N 3.47Å; Q278-R282 VanDerWaalsContact O-N 3.1Å; V279-R282 PolarHBondContact O-N 3.21Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.1Å; R282-G284 PolarHBondContact O-N 2.93Å
283L87.8Confident91.6Very high13 Ų1348.4 Ų48.47%0.06826%0.262CS..Hα-helixtrans-66.6-13.4170.7-72173.8000113.4F10 R13 T14 E17 K54 V279 L280 Q281F10-L283 HydrophobicContact CE2-CD1 4.38Å; R13-L283 HydrophobicContact CB-CD2 3.75Å; T14-L283 HydrophobicContact CG2-CD1 4.46Å; E17-L283 HydrophobicContact CB-CD2 4.27Å; E17-L283 HydrophobicContact CB-CG 4.21Å; E17-L283 HydrophobicContact CG-CD2 3.56Å; E17-L283 HydrophobicContact CG-CG 3.84Å; K54-L283 WeakPolarHBondContact CD-O 3.39Å; K54-L283 WeakPolarHBondContact CE-O 3.16Å; K54-L283 WeakPolarHBondContact CG-O 3.48Å; V279-L283 WeakPolarHBondContact O-CG 3.26Å; V279-L283 PolarHBondContact O-N 3.12Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.28Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; Q281-L283 PolarHBondContact O-N 2.92Å
284G92.5Very high92.2Very high24 Ų2445.2 Ų45.225%0.24725%0.246CC..THydrogen-bonded Turntrans97.216.1-177.700000114.3L280 Q281 R282 T286L280-G284 PolarHBondContact O-N 2.92Å; Q281-G284 WeakPolarHBondContact O-CA 3.5Å; Q281-G284 PolarHBondContact O-N 2.92Å; R282-G284 PolarHBondContact O-N 2.93Å; G284-T286 VanDerWaalsContact C-N 3.33Å; G284-T286 PolarHBondContact O-N 2.67Å
285L95.2Very high92.8Very high1 Ų145.2 Ų45.21%0.00525%0.246CC..  trans-90.968172.3-57.9176.8000109.6L36 Q50 M51 K54 L55 L280 M288 F289L36-L285 HydrophobicContact CD1-CD1 4.35Å; Q50-L285 HydrophobicContact CB-CD2 4.41Å; M51-L285 HydrophobicContact CB-CD2 4.38Å; M51-L285 HydrophobicContact CG-CD2 4.03Å; K54-L285 HydrophobicContact CB-CD2 3.85Å; K54-L285 HydrophobicContact CB-CG 4.34Å; K54-L285 HydrophobicContact CG-CD2 3.95Å; K54-L285 HydrophobicContact CG-CG 4.46Å; L55-L285 HydrophobicContact CD2-CD1 4.21Å; L280-L285 HydrophobicContact CB-CB 4.24Å; L280-L285 HydrophobicContact CB-CD1 4.18Å; L280-L285 HydrophobicContact CD2-CD1 3.88Å; L280-L285 VanDerWaalsContact O-CB 3.31Å; L280-L285 WeakPolarHBondContact O-CB 3.44Å; L280-L285 PolarHBondContact O-N 3.02Å; L285-M288 HydrophobicContact CB-CG 4.36Å; L285-M288 HydrophobicContact CB-SD 3.82Å; L285-M288 HydrophobicContact CD1-SD 4.33Å; L285-F289 WeakPolarHBondContact O-CD2 3.34Å; L285-F289 VanDerWaalsContact O-CE2 3.28Å; L285-F289 WeakPolarHBondContact O-CE2 3.44Å
286T96Very high93.4Very high63 Ų6339.9 Ų39.939%0.38722%0.223SC..  trans-89.6-42.4-172.652.10000112.7Q50 G284 M288 F289Q50-T286 PolarHBondContact NE2-OG1 2.71Å; G284-T286 VanDerWaalsContact C-N 3.33Å; G284-T286 PolarHBondContact O-N 2.67Å; T286-M288 VanDerWaalsContact C-N 3.26Å; T286-M288 PolarHBondContact O-N 3Å; T286-F289 PolarHBondContact O-N 3.36Å; T286-F289 VanDerWaalsContact O-N 3.13Å
287D97.6Very high93.7Very high12 Ų1241.1 Ų41.16%0.06423%0.231CC..G310 helixtrans-64.9-33.2-170.4-70.717.5000111.7N46 Q50 F289 D290 L293 A294N46-D287 PolarHBondContact ND2-OD2 3.26Å; Q50-D287 VanDerWaalsContact CD-CG 3.5Å; Q50-D287 PolarHBondContact NE2-OD1 2.73Å; Q50-D287 VanDerWaalsContact OE1-CB 3.28Å; Q50-D287 VanDerWaalsContact OE1-CG 3.31Å; Q50-D287 PolarHBondContact OE1-OD1 2.77Å; D287-F289 PolarHBondContact O-N 2.99Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-D290 PolarHBondContact O-N 2.97Å; D287-D290 VanDerWaalsContact O-N 3.13Å; D287-L293 HydrophobicContact CB-CB 4.19Å; D287-A294 WeakPolarHBondContact O-CA 3.12Å; D287-A294 VanDerWaalsContact O-CB 3.23Å; D287-A294 WeakPolarHBondContact O-CB 3.4Å; D287-A294 PolarHBondContact O-N 3.15Å
288M97.1Very high94Very high1 Ų144.3 Ų44.31%0.00525%0.245CC..G310 helixtrans-61-22.5-179.964.4-178.7-6600113.7L36 T39 T47 L285 T286 F296 V307L36-M288 HydrophobicContact CD2-CE 4.15Å; T39-M288 HydrophobicContact CG2-CE 3.92Å; T47-M288 HydrophobicContact CG2-CB 3.98Å; L285-M288 HydrophobicContact CB-CG 4.36Å; L285-M288 HydrophobicContact CB-SD 3.82Å; L285-M288 HydrophobicContact CD1-SD 4.33Å; T286-M288 VanDerWaalsContact C-N 3.26Å; T286-M288 PolarHBondContact O-N 3Å; M288-F296 HydrophobicContact CB-CE2 3.95Å; M288-F296 HydrophobicContact CB-CZ 3.66Å; M288-V307 HydrophobicContact CE-CB 4.09Å; M288-V307 HydrophobicContact CE-CG1 4.3Å; M288-V307 HydrophobicContact CE-CG2 3.67Å; M288-V307 WeakPolarHBondContact O-CB 3.16Å; M288-V307 PolarHBondContact O-N 2.94Å
289F95.2Very high94.5Very high11 Ų1138.9 Ų38.95%0.04822%0.22CC..G310 helixtrans-100.1-7.5179.8-60.1-74.3000113.7K277 L280 Q281 L285 T286 D287 V307 A310K277-F289 HydrophobicContact CB-CD1 4.34Å; K277-F289 HydrophobicContact CB-CE1 3.93Å; K277-F289 HydrophobicContact CB-CZ 4.25Å; K277-F289 HydrophobicContact CD-CD1 3.89Å; K277-F289 HydrophobicContact CD-CE1 4.26Å; K277-F289 HydrophobicContact CD-CG 4.48Å; K277-F289 HydrophobicContact CG-CD1 3.65Å; K277-F289 HydrophobicContact CG-CD2 4.44Å; K277-F289 HydrophobicContact CG-CE1 3.75Å; K277-F289 HydrophobicContact CG-CG 4.04Å; K277-F289 HydrophobicContact CG-CZ 4.21Å; L280-F289 HydrophobicContact CB-CE2 3.73Å; L280-F289 HydrophobicContact CB-CZ 3.93Å; L280-F289 HydrophobicContact CD1-CE2 4.35Å; L280-F289 HydrophobicContact CD1-CZ 3.73Å; L280-F289 HydrophobicContact CG-CZ 4.47Å; Q281-F289 HydrophobicContact CG-CD2 3.73Å; Q281-F289 HydrophobicContact CG-CE2 4.19Å; Q281-F289 HydrophobicContact CG-CG 4.49Å; L285-F289 WeakPolarHBondContact O-CD2 3.34Å; L285-F289 VanDerWaalsContact O-CE2 3.28Å; L285-F289 WeakPolarHBondContact O-CE2 3.44Å; T286-F289 PolarHBondContact O-N 3.36Å; T286-F289 VanDerWaalsContact O-N 3.13Å; D287-F289 PolarHBondContact O-N 2.99Å; D287-F289 VanDerWaalsContact O-N 3.12Å; F289-V307 WeakPolarHBondContact CA-O 3.39Å; F289-V307 HydrophobicContact CD1-CB 4.08Å; F289-V307 HydrophobicContact CD1-CG1 3.97Å; F289-V307 VanDerWaalsContact CD1-O 3.31Å; F289-V307 WeakPolarHBondContact CD1-O 2.87Å; F289-V307 HydrophobicContact CE1-CB 4.09Å; F289-V307 HydrophobicContact CE1-CG1 3.59Å; F289-A310 HydrophobicContact CE1-CB 4.42Å
290D95.4Very high94.9Very high67 Ų6739.4 Ų39.436%0.35822%0.223SC..  trans-94.7121.4-176.8-174.6-71.7000110.4D287 G292 L293 A294D287-D290 PolarHBondContact O-N 2.97Å; D287-D290 VanDerWaalsContact O-N 3.13Å; D290-G292 PolarHBondContact O-N 3.06Å; D290-G292 VanDerWaalsContact O-N 3.16Å; D290-G292 WeakPolarHBondContact OD1-CA 3.5Å; D290-G292 PolarHBondContact OD1-N 3.38Å; D290-L293 HydrophobicContact CB-CB 4.04Å; D290-L293 HydrophobicContact CB-CD1 4.24Å; D290-L293 HydrophobicContact CB-CG 4.27Å; D290-L293 PolarHBondContact O-N 2.95Å; D290-L293 PolarHBondContact OD1-N 3.49Å; D290-A294 WeakPolarHBondContact O-CB 3.41Å; D290-A294 PolarHBondContact O-N 3.04Å
291P92.1Very high94.9Very high82 Ų8241.9 Ų41.953%0.53225%0.249SC..THydrogen-bonded Turntrans-61.5-22.9-177.8-23.933.4000115.3F306P291-F306 HydrophobicContact CB-CD1 3.83Å; P291-F306 HydrophobicContact CB-CE1 3.82Å; P291-F306 HydrophobicContact CB-CG 4.26Å; P291-F306 HydrophobicContact CB-CZ 4.25Å; P291-F306 HydrophobicContact CG-CD1 4.14Å; P291-F306 HydrophobicContact CG-CD2 4.1Å; P291-F306 HydrophobicContact CG-CE1 3.94Å; P291-F306 HydrophobicContact CG-CE2 3.91Å; P291-F306 HydrophobicContact CG-CG 4.23Å; P291-F306 HydrophobicContact CG-CZ 3.83Å
292G92.9Very high94.9Very high70 Ų7043.8 Ų43.872%0.72226%0.256SS*.THydrogen-bonded Turntrans-96.1-20.8-179.900000114.2D290D290-G292 PolarHBondContact O-N 3.06Å; D290-G292 VanDerWaalsContact O-N 3.16Å; D290-G292 WeakPolarHBondContact OD1-CA 3.5Å; D290-G292 PolarHBondContact OD1-N 3.38Å
293L96.9Very high95Very high100 Ų10045.4 Ų45.452%0.52426%0.262SS..THydrogen-bonded Turntrans-106.7-26.7-177.7-56.8175.2000113.6T47 D287 D290 N295T47-L293 PolarHBondContact OG1-O 3.35Å; D287-L293 HydrophobicContact CB-CB 4.19Å; D290-L293 HydrophobicContact CB-CB 4.04Å; D290-L293 HydrophobicContact CB-CD1 4.24Å; D290-L293 HydrophobicContact CB-CG 4.27Å; D290-L293 PolarHBondContact O-N 2.95Å; D290-L293 PolarHBondContact OD1-N 3.49Å; L293-N295 PolarHBondContact O-N 3.23Å
294A96.9Very high95Very high5 Ų549 Ų494%0.04128%0.282CS..  trans-59133.3-176.900000111.5D287 D290 F296 F306D287-A294 WeakPolarHBondContact O-CA 3.12Å; D287-A294 VanDerWaalsContact O-CB 3.23Å; D287-A294 WeakPolarHBondContact O-CB 3.4Å; D287-A294 PolarHBondContact O-N 3.15Å; D290-A294 WeakPolarHBondContact O-CB 3.41Å; D290-A294 PolarHBondContact O-N 3.04Å; A294-F296 HydrophobicContact CB-CD2 4.19Å; A294-F296 HydrophobicContact CB-CE2 4.21Å; A294-F306 HydrophobicContact CB-CB 3.46Å; A294-F306 VanDerWaalsContact CB-CB 3.46Å
295N98.2Very high95.1Very high4 Ų448 Ų482%0.02127%0.27CS..  trans-127.784179-175.317000110.6S43 S44 T47 L293 S297 R303S43-N295 CarbonylContact C-O 3.57Å; S43-N295 WeakPolarHBondContact CA-O 3.36Å; S44-N295 WeakPolarHBondContact CB-ND2 3.08Å; S44-N295 PolarHBondContact N-O 3.32Å; S44-N295 WeakPolarHBondContact O-CB 3.11Å; S44-N295 PolarHBondContact O-ND2 2.83Å; S44-N295 VanDerWaalsContact O-ND2 3.12Å; T47-N295 PolarHBondContact OG1-N 3.27Å; L293-N295 PolarHBondContact O-N 3.23Å; N295-S297 WeakPolarHBondContact OD1-CB 3.38Å; N295-S297 PolarHBondContact OD1-OG 2.84Å; N295-R303 VanDerWaalsContact CG-NE 3.33Å; N295-R303 PolarHBondContact ND2-NE 3.38Å; N295-R303 PolarHBondContact ND2-NH2 3.35Å; N295-R303 PolarHBondContact OD1-NE 3.34Å; N295-R303 VanDerWaalsContact OD1-NE 3.15Å
296F97.8Very high95.1Very high0 Ų049.5 Ų49.50%028%0.277CS..  trans-99.734173.4-69.6-67.7000112.9T39 G42 T47 M51 M288 A294 K298 I299 L305 V307T39-F296 HydrophobicContact CG2-CD1 4.45Å; T39-F296 HydrophobicContact CG2-CE1 3.43Å; T39-F296 VanDerWaalsContact CG2-CE1 3.43Å; T39-F296 HydrophobicContact CG2-CZ 3.63Å; T39-F296 WeakPolarHBondContact O-CE1 3.47Å; G42-F296 CarbonylContact O-C 3.51Å; G42-F296 VanDerWaalsContact O-C 3.23Å; G42-F296 WeakPolarHBondContact O-CA 3.42Å; T47-F296 HydrophobicContact CG2-CE1 4.37Å; T47-F296 HydrophobicContact CG2-CE2 4.38Å; T47-F296 HydrophobicContact CG2-CZ 4.01Å; M51-F296 HydrophobicContact SD-CE1 4.36Å; M288-F296 HydrophobicContact CB-CE2 3.95Å; M288-F296 HydrophobicContact CB-CZ 3.66Å; A294-F296 HydrophobicContact CB-CD2 4.19Å; A294-F296 HydrophobicContact CB-CE2 4.21Å; F296-K298 PolarHBondContact O-N 2.64Å; F296-I299 HydrophobicContact CB-CD1 3.94Å; F296-I299 HydrophobicContact CB-CG1 4.12Å; F296-I299 HydrophobicContact CD1-CD1 3.96Å; F296-I299 HydrophobicContact CG-CD1 4.16Å; F296-I299 WeakPolarHBondContact O-CB 3.29Å; F296-I299 PolarHBondContact O-N 3.09Å; F296-L305 HydrophobicContact CB-CB 4.21Å; F296-L305 HydrophobicContact CB-CD2 4.13Å; F296-L305 HydrophobicContact CB-CG 4.3Å; F296-L305 WeakPolarHBondContact CD2-O 3.48Å; F296-V307 HydrophobicContact CE2-CG2 3.83Å; F296-V307 HydrophobicContact CZ-CG2 3.86Å
297S97.6Very high95.2Very high26 Ų2646.5 Ų46.518%0.18226%0.259CS..Hα-helixtrans-65.6-11.2-177.875.30000114.3N295 I299 G301 K302N295-S297 WeakPolarHBondContact OD1-CB 3.38Å; N295-S297 PolarHBondContact OD1-OG 2.84Å; S297-I299 VanDerWaalsContact C-N 3.31Å; S297-G301 WeakPolarHBondContact O-CA 3.36Å; S297-G301 PolarHBondContact O-N 3.12Å; S297-K302 WeakPolarHBondContact CA-O 3.28Å; S297-K302 WeakPolarHBondContact CB-O 3.42Å; S297-K302 PolarHBondContact N-O 3.23Å
298K97.6Very high95Very high118 Ų11846.4 Ų46.451%0.51326%0.258SS..Hα-helixtrans-83-7.7169.9-58.6-64.2-171.8176.10112.7G42 F105 F296G42-K298 WeakPolarHBondContact O-CB 3.35Å; G42-K298 PolarHBondContact O-N 3.2Å; F105-K298 VanDerWaalsContact CB-O 3.31Å; F105-K298 WeakPolarHBondContact CB-O 3.14Å; F296-K298 PolarHBondContact O-N 2.64Å
299I97.5Very high94.8Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-85.7-45.4169.2-54-173.2000110.7G42 V101 L102 F105 I117 L159 F296 S297 L305G42-I299 VanDerWaalsContact CA-CG1 3.45Å; V101-I299 WeakPolarHBondContact CA-O 3.48Å; L102-I299 PolarHBondContact N-O 3.09Å; F105-I299 HydrophobicContact CD1-CB 4.44Å; F105-I299 HydrophobicContact CD1-CG1 4.38Å; F105-I299 HydrophobicContact CD1-CG2 4.01Å; F105-I299 HydrophobicContact CD2-CG1 4.12Å; F105-I299 HydrophobicContact CE1-CB 4.5Å; F105-I299 HydrophobicContact CE1-CD1 4.4Å; F105-I299 HydrophobicContact CE1-CG1 4.13Å; F105-I299 HydrophobicContact CE1-CG2 3.95Å; F105-I299 HydrophobicContact CE2-CD1 4.34Å; F105-I299 HydrophobicContact CE2-CG1 3.89Å; F105-I299 HydrophobicContact CG-CG1 4.38Å; F105-I299 HydrophobicContact CZ-CD1 4Å; F105-I299 HydrophobicContact CZ-CG1 3.88Å; I117-I299 HydrophobicContact CD1-CG2 3.98Å; L159-I299 HydrophobicContact CD2-CD1 4.03Å; F296-I299 HydrophobicContact CB-CD1 3.94Å; F296-I299 HydrophobicContact CB-CG1 4.12Å; F296-I299 HydrophobicContact CD1-CD1 3.96Å; F296-I299 HydrophobicContact CG-CD1 4.16Å; F296-I299 WeakPolarHBondContact O-CB 3.29Å; F296-I299 PolarHBondContact O-N 3.09Å; S297-I299 VanDerWaalsContact C-N 3.31Å; I299-L305 HydrophobicContact CB-CD2 3.94Å; I299-L305 HydrophobicContact CD1-CD2 3.96Å; I299-L305 HydrophobicContact CG1-CD2 4.45Å; I299-L305 HydrophobicContact CG2-CD2 3.86Å
300T94.9Very high94.7Very high10 Ų1048 Ų486%0.06127%0.266CS..Hα-helixtrans-127.5-3.4-168.463.20000116.1L99 Q100 K302 L305L99-T300 HydrophobicContact CB-CG2 4.34Å; L99-T300 HydrophobicContact CD2-CG2 4.2Å; Q100-T300 VanDerWaalsContact O-CA 3.28Å; Q100-T300 WeakPolarHBondContact O-CA 3.29Å; T300-K302 PolarHBondContact O-N 3.3Å; T300-K302 PolarHBondContact OG1-N 3.02Å; T300-L305 HydrophobicContact CG2-CD2 3.97Å
301G93.4Very high94.5Very high53 Ų5345 Ų4555%0.54625%0.25SC..SBendtrans77.3-8.3-170.300000114.6S297S297-G301 WeakPolarHBondContact O-CA 3.36Å; S297-G301 PolarHBondContact O-N 3.12Å
302K92.6Very high94.5Very high118 Ų11841.1 Ų41.151%0.51323%0.225SC..SBendtrans-117.5166.6-177.3-63179.7-175.2176.10111.9S297 T300 D304S297-K302 WeakPolarHBondContact CA-O 3.28Å; S297-K302 WeakPolarHBondContact CB-O 3.42Å; S297-K302 PolarHBondContact N-O 3.23Å; T300-K302 PolarHBondContact O-N 3.3Å; T300-K302 PolarHBondContact OG1-N 3.02Å; K302-D304 WeakPolarHBondContact CB-OD1 2.82Å
303R90Very high94.4Very high175 Ų17538.2 Ų38.266%0.6619%0.192SC*.SBendtrans-108.730.9179.6-60.8-177.8115.6-171.6-0.1112.8N295N295-R303 VanDerWaalsContact CG-NE 3.33Å; N295-R303 PolarHBondContact ND2-NE 3.38Å; N295-R303 PolarHBondContact ND2-NH2 3.35Å; N295-R303 PolarHBondContact OD1-NE 3.34Å; N295-R303 VanDerWaalsContact OD1-NE 3.15Å
304D87.8Confident93.9Very high90 Ų9033.5 Ų33.548%0.48117%0.167SC..  trans-104.88.8-177.958.2-10.7000113.2K302K302-D304 WeakPolarHBondContact CB-OD1 2.82Å
305L94.6Very high93.3Very high2 Ų233.9 Ų33.91%0.0117%0.168CC..  trans-112.7133.6-178.7-170.664.2000110.6L99 R158 L159 F296 I299 T300L99-L305 HydrophobicContact CD1-CD1 3.8Å; L99-L305 HydrophobicContact CD1-CD2 4.49Å; L99-L305 HydrophobicContact CD2-CD1 4.26Å; R158-L305 HydrophobicContact CB-CD1 3.99Å; L159-L305 HydrophobicContact CB-CD1 3.98Å; L159-L305 HydrophobicContact CB-CG 4.43Å; L159-L305 HydrophobicContact CD2-CD2 4.23Å; L159-L305 HydrophobicContact CD2-CG 4.34Å; F296-L305 HydrophobicContact CB-CB 4.21Å; F296-L305 HydrophobicContact CB-CD2 4.13Å; F296-L305 HydrophobicContact CB-CG 4.3Å; F296-L305 WeakPolarHBondContact CD2-O 3.48Å; I299-L305 HydrophobicContact CB-CD2 3.94Å; I299-L305 HydrophobicContact CD1-CD2 3.96Å; I299-L305 HydrophobicContact CG1-CD2 4.45Å; I299-L305 HydrophobicContact CG2-CD2 3.86Å; T300-L305 HydrophobicContact CG2-CD2 3.97Å
306F95.8Very high92.6Very high33 Ų3333.7 Ų33.715%0.14517%0.167CC..  trans-141154.3174.365-84.1000109.6R158 L159 P291 A294 S308R158-F306 HydrophobicContact CB-CD1 4.38Å; R158-F306 HydrophobicContact CB-CE1 4.13Å; R158-F306 HydrophobicContact CB-CZ 4.4Å; R158-F306 HydrophobicContact CG-CD1 4.14Å; R158-F306 HydrophobicContact CG-CE1 3.5Å; R158-F306 HydrophobicContact CG-CZ 3.88Å; L159-F306 WeakPolarHBondContact CB-O 2.96Å; P291-F306 HydrophobicContact CB-CD1 3.83Å; P291-F306 HydrophobicContact CB-CE1 3.82Å; P291-F306 HydrophobicContact CB-CG 4.26Å; P291-F306 HydrophobicContact CB-CZ 4.25Å; P291-F306 HydrophobicContact CG-CD1 4.14Å; P291-F306 HydrophobicContact CG-CD2 4.1Å; P291-F306 HydrophobicContact CG-CE1 3.94Å; P291-F306 HydrophobicContact CG-CE2 3.91Å; P291-F306 HydrophobicContact CG-CG 4.23Å; P291-F306 HydrophobicContact CG-CZ 3.83Å; A294-F306 HydrophobicContact CB-CB 3.46Å; A294-F306 VanDerWaalsContact CB-CB 3.46Å; F306-S308 WeakPolarHBondContact CE2-OG 3.15Å; F306-S308 PolarHBondContact O-N 2.99Å
307V96.6Very high91.9Very high0 Ų036.8 Ų36.80%018%0.182CC..  trans-73.7114.9172.91790000108.1T39 L159 M288 F289 F296 E309T39-V307 HydrophobicContact CG2-CG2 4.04Å; L159-V307 HydrophobicContact CD2-CG2 3.93Å; M288-V307 HydrophobicContact CE-CB 4.09Å; M288-V307 HydrophobicContact CE-CG1 4.3Å; M288-V307 HydrophobicContact CE-CG2 3.67Å; M288-V307 WeakPolarHBondContact O-CB 3.16Å; M288-V307 PolarHBondContact O-N 2.94Å; F289-V307 WeakPolarHBondContact CA-O 3.39Å; F289-V307 HydrophobicContact CD1-CB 4.08Å; F289-V307 HydrophobicContact CD1-CG1 3.97Å; F289-V307 VanDerWaalsContact CD1-O 3.31Å; F289-V307 WeakPolarHBondContact CD1-O 2.87Å; F289-V307 HydrophobicContact CE1-CB 4.09Å; F289-V307 HydrophobicContact CE1-CG1 3.59Å; F296-V307 HydrophobicContact CE2-CG2 3.83Å; F296-V307 HydrophobicContact CZ-CG2 3.86Å; V307-E309 WeakPolarHBondContact CG1-O 3.24Å
308S95.2Very high91.3Very high9 Ų935.7 Ų35.76%0.06317%0.174CC..  trans-77.9-49.1178-53.50000110.5T157 R158 L159 K277 F306T157-S308 WeakPolarHBondContact CA-OG 3.44Å; R158-S308 PolarHBondContact N-OG 3.39Å; L159-S308 PolarHBondContact O-N 2.94Å; K277-S308 PolarHBondContact NZ-O 3.26Å; F306-S308 WeakPolarHBondContact CE2-OG 3.15Å; F306-S308 PolarHBondContact O-N 2.99Å
309E91.4Very high90.8Very high46 Ų4631.7 Ų31.722%0.21516%0.158CC..EExtended strand (participates in β ladder)trans-144.8155-179.4-70.2-58.2141.700111.3I160 L161 K277 V307 F311I160-E309 WeakPolarHBondContact CA-O 3.26Å; L161-E309 PolarHBondContact N-O 3.19Å; K277-E309 WeakPolarHBondContact CD-OE1 3.37Å; K277-E309 IonicContact NZ-OE1 2.61Å; K277-E309 PolarHBondContact NZ-OE1 3.32Å; V307-E309 WeakPolarHBondContact CG1-O 3.24Å; E309-F311 HydrophobicContact CB-CD2 4.41Å; E309-F311 HydrophobicContact CB-CE2 3.49Å; E309-F311 VanDerWaalsContact CB-CE2 3.49Å; E309-F311 HydrophobicContact CB-CZ 3.63Å; E309-F311 HydrophobicContact CG-CE2 4.37Å; E309-F311 HydrophobicContact CG-CZ 4.07Å
310A93.3Very high90.4Very high0 Ų033.1 Ų33.10%017%0.165CC..EExtended strand (participates in β ladder)trans-137.3127.617600000109.5L161 L276 L280 F289L161-A310 HydrophobicContact CB-CB 4.05Å; L161-A310 HydrophobicContact CD2-CB 4.44Å; L161-A310 WeakPolarHBondContact O-CA 2.98Å; L276-A310 HydrophobicContact CB-CB 3.83Å; L276-A310 HydrophobicContact CD1-CB 4.37Å; L276-A310 PolarHBondContact N-O 2.94Å; L280-A310 HydrophobicContact CD1-CB 4.25Å; F289-A310 HydrophobicContact CE1-CB 4.42Å
311F92.5Very high89.5Confident4 Ų438.6 Ų38.62%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-122.1135.3-174.7-59.5-78.8000111L147 I148 P149 A152 I160 L161 N163 K275 E309L147-F311 HydrophobicContact CD1-CB 4.05Å; L147-F311 HydrophobicContact CD2-CB 4.45Å; L147-F311 HydrophobicContact CG-CB 4.1Å; I148-F311 HydrophobicContact CD1-CD2 3.87Å; I148-F311 HydrophobicContact CD1-CE2 4Å; I148-F311 HydrophobicContact CG1-CD2 3.74Å; I148-F311 HydrophobicContact CG1-CE2 4.05Å; I148-F311 HydrophobicContact CG1-CG 4.16Å; I148-F311 HydrophobicContact CG2-CE2 4.11Å; I148-F311 HydrophobicContact CG2-CZ 4.18Å; P149-F311 HydrophobicContact CG-CE1 4.47Å; A152-F311 HydrophobicContact CB-CE1 4.3Å; A152-F311 HydrophobicContact CB-CZ 3.79Å; I160-F311 HydrophobicContact CG2-CD2 3.8Å; I160-F311 HydrophobicContact CG2-CE2 3.93Å; L161-F311 PolarHBondContact O-N 2.89Å; N163-F311 PolarHBondContact N-O 2.9Å; K275-F311 HydrophobicContact CG-CD1 4.37Å; K275-F311 HydrophobicContact CG-CE1 4.18Å; E309-F311 HydrophobicContact CB-CD2 4.41Å; E309-F311 HydrophobicContact CB-CE2 3.49Å; E309-F311 VanDerWaalsContact CB-CE2 3.49Å; E309-F311 HydrophobicContact CB-CZ 3.63Å; E309-F311 HydrophobicContact CG-CE2 4.37Å; E309-F311 HydrophobicContact CG-CZ 4.07Å
312H91.9Very high88Confident1 Ų136.2 Ų36.21%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-123133.4173.1176.860.9000110.2I27 S28 I32 N163 L274 L276I27-H312 WeakPolarHBondContact CA-NE2 3.26Å; S28-H312 PolarHBondContact N-NE2 3.04Å; I32-H312 HydrophobicContact CG1-CB 4.34Å; N163-H312 CarbonylContact O-C 3.5Å; N163-H312 WeakPolarHBondContact O-CA 3.39Å; N163-H312 PolarHBondContact OD1-CE1 3.3Å; N163-H312 PolarHBondContact OD1-ND1 3.24Å; L274-H312 HydrophobicContact CB-CB 4.22Å; L274-H312 PolarHBondContact N-O 3.28Å; L274-H312 PolarHBondContact O-N 2.92Å; L276-H312 HydrophobicContact CD1-CB 3.78Å; L276-H312 HydrophobicContact CD2-CB 3.78Å; L276-H312 HydrophobicContact CG-CB 3.64Å
313K89.5Confident84.9Confident9 Ų933.7 Ų33.74%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-133.7128.2168.8-175.6158.7-176.2151.70110.6I144 K145 L147 N163 A164 I165 E271 H272 D273I144-K313 HydrophobicContact CG2-CB 4.15Å; I144-K313 HydrophobicContact CG2-CD 3.42Å; I144-K313 VanDerWaalsContact CG2-CD 3.42Å; I144-K313 HydrophobicContact CG2-CG 3.68Å; K145-K313 PolarHBondContact O-NZ 3.34Å; L147-K313 HydrophobicContact CD1-CB 3.37Å; L147-K313 HydrophobicContact CD1-CD 4.5Å; N163-K313 PolarHBondContact O-N 2.82Å; A164-K313 CarbonylContact C-O 3.59Å; A164-K313 VanDerWaalsContact CA-O 3.28Å; A164-K313 WeakPolarHBondContact CA-O 3.19Å; I165-K313 PolarHBondContact N-O 3Å; E271-K313 WeakPolarHBondContact OE1-CE 3.45Å; E271-K313 IonicContact OE1-NZ 3.83Å; E271-K313 PolarHBondContact OE1-NZ 2.86Å; H272-K313 WeakPolarHBondContact O-CA 3.48Å; D273-K313 WeakPolarHBondContact OD1-CD 3.47Å; D273-K313 WeakPolarHBondContact OD1-CE 3.37Å; D273-K313 WeakPolarHBondContact OD1-CG 3.43Å; D273-K313 IonicContact OD1-NZ 3.84Å; D273-K313 PolarHBondContact OD1-NZ 3.21Å; D273-K313 IonicContact OD2-NZ 2.66Å; D273-K313 PolarHBondContact OD2-NZ 3.21Å
314A86.8Confident81.9Confident0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-124.8141.9179.500000110.5F26 I165 E271 H272 F367F26-A314 HydrophobicContact CD1-CB 3.6Å; F26-A314 VanDerWaalsContact CE1-C 3.46Å; F26-A314 HydrophobicContact CE1-CB 3.39Å; F26-A314 HydrophobicContact CZ-CB 4.2Å; I165-A314 HydrophobicContact CG2-CB 3.96Å; I165-A314 WeakPolarHBondContact O-CA 3.46Å; E271-A314 WeakPolarHBondContact CA-O 3.45Å; H272-A314 PolarHBondContact N-O 2.82Å; H272-A314 VanDerWaalsContact N-O 3.1Å; H272-A314 PolarHBondContact O-N 3.33Å; H272-A314 VanDerWaalsContact O-N 3.1Å; A314-F367 HydrophobicContact CB-CE1 4.23Å
315F83.8Confident78.9Confident14 Ų1432.3 Ų32.36%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-130.7136173.5-178.4-78.6000112I165 Y166 F167 K269 L270 E271 E317I165-F315 PolarHBondContact O-N 3.21Å; Y166-F315 HydrophobicContact CD2-CB 3.99Å; Y166-F315 AromaticContact CD2-CD1 3.32Å; Y166-F315 HydrophobicContact CD2-CD1 3.32Å; Y166-F315 AromaticContact CD2-CE1 3.99Å; Y166-F315 HydrophobicContact CD2-CE1 3.99Å; Y166-F315 AromaticContact CD2-CG 3.83Å; Y166-F315 HydrophobicContact CD2-CG 3.83Å; Y166-F315 AromaticContact CE2-CD1 3.3Å; Y166-F315 HydrophobicContact CE2-CD1 3.3Å; Y166-F315 AromaticContact CE2-CE1 3.46Å; Y166-F315 HydrophobicContact CE2-CE1 3.46Å; Y166-F315 VanDerWaalsContact CE2-CE1 3.46Å; Y166-F315 HydrophobicContact CE2-CG 4.14Å; Y166-F315 HydrophobicContact CE2-CZ 4.35Å; Y166-F315 HydrophobicContact CG-CD1 4.45Å; F167-F315 PolarHBondContact N-O 3.45Å; F167-F315 VanDerWaalsContact N-O 3.17Å; K269-F315 HydrophobicContact CD-CE2 4.38Å; K269-F315 HydrophobicContact CD-CZ 4.15Å; K269-F315 HydrophobicContact CG-CE2 4.32Å; K269-F315 HydrophobicContact CG-CZ 4.15Å; L270-F315 WeakPolarHBondContact O-CA 3.32Å; E271-F315 HydrophobicContact CB-CD2 3.95Å; E271-F315 HydrophobicContact CG-CD2 4.09Å; F315-E317 HydrophobicContact CE1-CB 3.99Å; F315-E317 HydrophobicContact CZ-CB 4.39Å
316I84Confident75.5Confident0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-141.1144.8168.7-172.4178.8000111.3F26 F167 M226 K269 L270 V318 F355 I357F26-I316 HydrophobicContact CD1-CG2 4.33Å; F26-I316 HydrophobicContact CD2-CG2 4.22Å; F26-I316 HydrophobicContact CE1-CB 4.04Å; F26-I316 HydrophobicContact CE1-CG2 3.64Å; F26-I316 HydrophobicContact CE2-CB 4.19Å; F26-I316 HydrophobicContact CE2-CG2 3.52Å; F26-I316 HydrophobicContact CZ-CB 3.51Å; F26-I316 HydrophobicContact CZ-CG2 3.2Å; F167-I316 HydrophobicContact CD1-CG1 4.47Å; M226-I316 HydrophobicContact CE-CD1 3.47Å; M226-I316 VanDerWaalsContact CE-CD1 3.47Å; K269-I316 WeakPolarHBondContact CA-O 3.4Å; L270-I316 HydrophobicContact CB-CG2 3.77Å; L270-I316 HydrophobicContact CD1-CG2 4.15Å; L270-I316 HydrophobicContact CG-CG2 4.25Å; L270-I316 PolarHBondContact N-O 2.94Å; L270-I316 PolarHBondContact O-N 2.9Å; I316-V318 HydrophobicContact CD1-CG2 3.96Å; I316-V318 HydrophobicContact CG1-CG2 4.2Å; I316-F355 HydrophobicContact CD1-CE2 4.13Å; I316-I357 HydrophobicContact CD1-CD1 3.34Å; I316-I357 HydrophobicContact CD1-CG1 4.34Å; I316-I357 HydrophobicContact CG1-CD1 4.34Å
317E82.2Confident72.1Confident64 Ų6439.8 Ų39.830%0.29924%0.24SC..EExtended strand (participates in β ladder)trans-127.5127.9168.4-172.1-177.2160.700109.8K269 F315 N319K269-E317 HydrophobicContact CB-CG 4.44Å; K269-E317 HydrophobicContact CG-CG 4.49Å; F315-E317 HydrophobicContact CE1-CB 3.99Å; F315-E317 HydrophobicContact CZ-CB 4.39Å; E317-N319 PolarHBondContact OE1-ND2 2.79Å
318V86.2Confident68.7Low3 Ų344.7 Ų44.72%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-117.2115.1175.7173.70000108.4W171 M198 M226 N267 F268 I316W171-V318 HydrophobicContact CZ2-CG1 3.88Å; M198-V318 HydrophobicContact CE-CG1 3.94Å; M226-V318 HydrophobicContact CE-CG2 3.64Å; M226-V318 HydrophobicContact SD-CG2 4Å; N267-V318 WeakPolarHBondContact CA-O 3.24Å; N267-V318 WeakPolarHBondContact CB-O 3.47Å; F268-V318 HydrophobicContact CD1-CB 4.22Å; F268-V318 HydrophobicContact CD1-CG1 4.41Å; F268-V318 HydrophobicContact CD2-CB 4.13Å; 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 4.16Å; F268-V318 HydrophobicContact CE2-CB 3.91Å; F268-V318 HydrophobicContact CE2-CG2 3.51Å; F268-V318 HydrophobicContact CG-CB 4.29Å; F268-V318 HydrophobicContact CZ-CB 3.83Å; F268-V318 HydrophobicContact CZ-CG1 4.18Å; F268-V318 HydrophobicContact CZ-CG2 3.51Å; F268-V318 PolarHBondContact N-O 3.09Å; F268-V318 PolarHBondContact O-N 3.03Å; I316-V318 HydrophobicContact CD1-CG2 3.96Å; I316-V318 HydrophobicContact CG1-CG2 4.2Å
319N87Confident65.7Low34 Ų3450.6 Ų50.618%0.18232%0.317CS..  trans-141-177.317963.541.1000110.5W171 E317 K321 G322W171-N319 PolarHBondContact NE1-O 3.49Å; E317-N319 PolarHBondContact OE1-ND2 2.79Å; N319-K321 VanDerWaalsContact C-N 3.34Å; N319-K321 PolarHBondContact O-N 3.26Å; N319-K321 PolarHBondContact OD1-N 3.2Å; N319-G322 PolarHBondContact OD1-N 3.48Å
320E88.3Confident62.5Low30 Ų3052 Ų5214%0.1434%0.336CS..SBendtrans-68.3-36.7-172.5-66.183.7172.100113F175 T180 M198F175-E320 HydrophobicContact CB-CB 3.83Å; F175-E320 HydrophobicContact CB-CG 3.95Å; F175-E320 PolarHBondContact N-O 3.29Å; T180-E320 WeakPolarHBondContact CB-OE1 3.38Å; T180-E320 VanDerWaalsContact CG2-OE1 3.31Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.35Å; T180-E320 VanDerWaalsContact OG1-CG 3.29Å; T180-E320 WeakPolarHBondContact OG1-CG 3.22Å; T180-E320 PolarHBondContact OG1-OE1 3.37Å; M198-E320 HydrophobicContact CB-CG 4.48Å; M198-E320 HydrophobicContact CG-CG 3.85Å; M198-E320 HydrophobicContact SD-CB 4.31Å; M198-E320 HydrophobicContact SD-CG 3.78Å; M198-E320 PolarHBondContact SD-N 2.84Å; M198-E320 VanDerWaalsContact SD-N 3.38Å
321K75.6Confident59.3Low125 Ų12558.5 Ų58.554%0.54338%0.375SS..  trans-71.1-77.2-173.6-70.7-167.9174.5-163.50109P174 N319 S323P174-K321 WeakPolarHBondContact CB-O 3.42Å; N319-K321 VanDerWaalsContact C-N 3.34Å; N319-K321 PolarHBondContact O-N 3.26Å; N319-K321 PolarHBondContact OD1-N 3.2Å; K321-S323 PolarHBondContact O-N 2.82Å
322G62.9Low56.2Low3 Ų364.1 Ų64.13%0.03141%0.41CS..SBendtrans34.665.2-144.700000108A169 D170 W171 N319A169-G322 WeakPolarHBondContact O-CA 3.28Å; D170-G322 CarbonylContact C-O 3.55Å; D170-G322 VanDerWaalsContact C-O 3.25Å; D170-G322 WeakPolarHBondContact CA-O 3.32Å; D170-G322 WeakPolarHBondContact CB-O 3.44Å; D170-G322 WeakPolarHBondContact OD1-CA 3.43Å; W171-G322 PolarHBondContact N-O 3.01Å; N319-G322 PolarHBondContact OD1-N 3.48Å
323S27.3Very low53.2Low65 Ų6571.6 Ų71.646%0.45545%0.447SS..SBendtrans49.7163.1-171.9-157.10000120.5D170 P174 K321D170-S323 VanDerWaalsContact CG-N 3.28Å; D170-S323 WeakPolarHBondContact OD1-CB 3.49Å; D170-S323 PolarHBondContact OD1-N 3.42Å; D170-S323 WeakPolarHBondContact OD2-CB 3.45Å; P174-S323 VanDerWaalsContact CG-O 3.3Å; P174-S323 WeakPolarHBondContact CG-O 3.17Å; K321-S323 PolarHBondContact O-N 2.82Å
324E27.1Very low50.5Low157 Ų15775.7 Ų75.773%0.73448%0.482SS*.  trans-98.1101-165.2-173.3175.6176.700109.5
325A25.2Very low48Very low79 Ų7982.6 Ų82.665%0.65352%0.524SS*.  trans-113.9104.5167.700000109.3
326A23.3Very low45.8Very low99 Ų9985.3 Ų85.382%0.81856%0.556SS**  trans-87.7107.8164.700000108.8
327A24Very low43.4Very low94 Ų9496.1 Ų96.178%0.77760%0.597SS**  trans-165.2122.6151.500000110.8
328A25.9Very low41.3Very low102 Ų10299 Ų9984%0.84362%0.621SS**  trans-62137172.800000111.4
329T30.8Very low39.3Very low134 Ų134106.8 Ų106.882%0.82266%0.661SS**  trans-144.4108.3156.5-38.50000110.5
330A24Very low37.2Very low75 Ų75110.8 Ų110.862%0.6269%0.687SS**  trans54.786.7145.700000118.3V332A330-V332 HydrophobicContact CB-CG2 3.91Å; A330-V332 PolarHBondContact O-N 2.88Å
331V26.1Very low35.1Very low136 Ų136114.3 Ų114.382%0.82471%0.712SS**  trans-65.391.8140.5177.20000106.6M333V331-M333 HydrophobicContact CG1-CG 3.95Å; V331-M333 PolarHBondContact O-N 3.01Å; V331-M333 VanDerWaalsContact O-N 3.12Å
332V29.2Very low34.2Very low122 Ų122115.6 Ų115.674%0.73972%0.724SS**  trans-74.895.7167.1-179.60000106.6A330 A334A330-V332 HydrophobicContact CB-CG2 3.91Å; A330-V332 PolarHBondContact O-N 2.88Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 2.75Å
333M27.2Very low34.8Very low159 Ų159121.9 Ų121.978%0.78376%0.755SS**  trans-67.291169.4-75.7-114.1-7600108.8V331 V335V331-M333 HydrophobicContact CG1-CG 3.95Å; V331-M333 PolarHBondContact O-N 3.01Å; V331-M333 VanDerWaalsContact O-N 3.12Å; M333-V335 PolarHBondContact O-N 3.39Å; M333-V335 VanDerWaalsContact O-N 3.07Å
334A33.3Very low37.6Very low95 Ų95120.2 Ų120.279%0.78574%0.743SS**  trans-71.896.8165.800000108.6V332V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 2.75Å
335V35.6Very low40.7Very low144 Ų144114.1 Ų114.187%0.87372%0.717SS**  trans-65.2128172.4-172.90000108.6M333M333-V335 PolarHBondContact O-N 3.39Å; M333-V335 VanDerWaalsContact O-N 3.07Å
336G37.4Very low44.1Very low71 Ų71115.6 Ų115.673%0.73271%0.709SS**  trans130.221.6155.800000120
337R33.9Very low47.7Very low228 Ų228110.9 Ų110.986%0.8667%0.67SS**SBendtrans-131.2146.6163.3-76.7-170.2-178.3-130.90.3112L339R337-L339 PolarHBondContact O-N 3.45Å; R337-L339 VanDerWaalsContact O-N 3.11Å
338P37.9Very low51.2Low125 Ų125108.6 Ų108.681%0.81265%0.646SS**  trans-60.5117.5-176.722.8-29.9000109.5V340P338-V340 PolarHBondContact O-N 3.03Å
339L44.1Very low54.6Low165 Ų165103.7 Ų103.786%0.86461%0.605SS**  trans-70.289.8179.8-65164.2000108.2R337 P341R337-L339 PolarHBondContact O-N 3.45Å; R337-L339 VanDerWaalsContact O-N 3.11Å; L339-P341 WeakPolarHBondContact O-CD 3.47Å
340V42.2Very low57.6Low118 Ų11898.7 Ų98.772%0.71557%0.574SS**  trans-63115.8143.5-175.70000103.4P338 I342P338-V340 PolarHBondContact O-N 3.03Å; V340-I342 VanDerWaalsContact C-N 3.27Å; V340-I342 PolarHBondContact O-N 2.94Å
341P43.5Very low60.9Low104 Ų10495.7 Ų95.768%0.67555%0.547SS*.  trans-61.599.5175.923.3-29.6000106.6L339 I343L339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-I343 PolarHBondContact O-N 3.26Å
342I57.5Low64Low153 Ų15389.7 Ų89.779%0.78551%0.51SS*.  trans-68.692.7169.8-58.9174.3000103.8V340 P344V340-I342 VanDerWaalsContact C-N 3.27Å; V340-I342 PolarHBondContact O-N 2.94Å; I342-P344 WeakPolarHBondContact O-CD 3.18Å
343I76.2Confident67Low135 Ų13583.9 Ų83.969%0.69248%0.475SS*.PPolyproline II helixtrans-61118.4172.2-59.1175.2000104.9P341P341-I343 PolarHBondContact O-N 3.26Å
344P84.5Confident70.1Confident29 Ų2976.3 Ų76.319%0.18844%0.438CS..PPolyproline II helixtrans-60.3141.4-179.125.6-33.2000109K260 I342 K346K260-P344 HydrophobicContact CB-CB 4.32Å; K260-P344 HydrophobicContact CD-CB 4.46Å; K260-P344 HydrophobicContact CG-CB 4.05Å; K260-P344 WeakPolarHBondContact O-CB 3.41Å; I342-P344 WeakPolarHBondContact O-CD 3.18Å; P344-K346 PolarHBondContact O-N 3.43Å
345P93Very high72.9Confident29 Ų2971.8 Ų71.819%0.18840%0.401CS..PPolyproline II helixtrans-56.4143173.124.6-34.5000109.9Y206 K260 V261 E262Y206-P345 HydrophobicContact CD1-CG 3.95Å; Y206-P345 HydrophobicContact CE1-CB 3.68Å; Y206-P345 HydrophobicContact CE1-CG 3.55Å; K260-P345 WeakPolarHBondContact O-CD 3.12Å; V261-P345 HydrophobicContact CG1-CG 4.43Å; V261-P345 VanDerWaalsContact CG1-O 3.32Å; V261-P345 WeakPolarHBondContact CG1-O 3.49Å; V261-P345 HydrophobicContact CG2-CG 4.21Å; E262-P345 PolarHBondContact N-O 3.49Å
346K96.9Very high75.7Confident111 Ų11165 Ų6548%0.48336%0.36SS..EExtended strand (participates in β ladder)trans-95.8122.4173.7-58.3-169.2177.8-124.20109Q213 E262 P344 V348Q213-K346 PolarHBondContact NE2-O 3.42Å; E262-K346 HydrophobicContact CB-CG 4.19Å; E262-K346 HydrophobicContact CG-CG 4.31Å; E262-K346 CarbonylContact O-C 3.57Å; E262-K346 WeakPolarHBondContact O-CA 3.43Å; E262-K346 IonicContact OE1-NZ 3.5Å; E262-K346 PolarHBondContact OE1-NZ 3.28Å; E262-K346 WeakPolarHBondContact OE2-CE 3.27Å; E262-K346 IonicContact OE2-NZ 3.9Å; E262-K346 PolarHBondContact OE2-NZ 3.36Å; P344-K346 PolarHBondContact O-N 3.43Å; K346-V348 HydrophobicContact CB-CG2 4.2Å
347F98.2Very high78.3Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-105.3101.2170.2-173-87.4000108.1Y206 Q213 L215 F228 L230 V261 E262 H264 I265 A349Y206-F347 HydrophobicContact CE2-CB 4.23Å; Y206-F347 AromaticContact CE2-CD2 3.92Å; Y206-F347 HydrophobicContact CE2-CD2 3.92Å; Q213-F347 HydrophobicContact CB-CD2 3.7Å; Q213-F347 HydrophobicContact CB-CE2 3.78Å; L215-F347 HydrophobicContact CB-CD1 4.19Å; L215-F347 HydrophobicContact CB-CD2 3.83Å; L215-F347 HydrophobicContact CB-CE1 4.15Å; L215-F347 HydrophobicContact CB-CE2 3.76Å; L215-F347 HydrophobicContact CB-CG 4.03Å; L215-F347 HydrophobicContact CB-CZ 3.93Å; L215-F347 HydrophobicContact CD2-CB 4.23Å; L215-F347 HydrophobicContact CD2-CD1 3.47Å; L215-F347 VanDerWaalsContact CD2-CD1 3.47Å; L215-F347 HydrophobicContact CD2-CD2 4.44Å; L215-F347 HydrophobicContact CD2-CE1 3.86Å; L215-F347 HydrophobicContact CD2-CG 3.79Å; L215-F347 HydrophobicContact CD2-CZ 4.48Å; L215-F347 HydrophobicContact CG-CD1 4.49Å; F228-F347 HydrophobicContact CB-CE1 3.8Å; F228-F347 HydrophobicContact CB-CZ 3.46Å; F228-F347 VanDerWaalsContact CB-CZ 3.46Å; F228-F347 HydrophobicContact CG-CE1 4.37Å; F228-F347 HydrophobicContact CG-CZ 4.47Å; L230-F347 HydrophobicContact CB-CD2 4.47Å; L230-F347 HydrophobicContact CB-CE1 4.41Å; L230-F347 HydrophobicContact CB-CE2 3.54Å; L230-F347 HydrophobicContact CB-CZ 3.5Å; L230-F347 VanDerWaalsContact CB-CZ 3.5Å; L230-F347 HydrophobicContact CD2-CD2 4.28Å; L230-F347 HydrophobicContact CD2-CE1 4.32Å; L230-F347 HydrophobicContact CD2-CE2 4.07Å; L230-F347 HydrophobicContact CD2-CZ 4.07Å; L230-F347 HydrophobicContact CG-CE2 4.48Å; L230-F347 HydrophobicContact CG-CZ 4.39Å; V261-F347 HydrophobicContact CG1-CB 3.94Å; E262-F347 PolarHBondContact O-N 2.94Å; H264-F347 PolarHBondContact N-O 3.48Å; I265-F347 HydrophobicContact CG1-CD1 4.4Å; I265-F347 HydrophobicContact CG1-CE1 4.37Å; F347-A349 HydrophobicContact CD1-CB 4.5Å; F347-A349 HydrophobicContact CE1-CB 3.97Å
348V97.9Very high81Confident45 Ų4551 Ų5127%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-11497.3-175.8-1750000109.6L230 H264 K346 D350L230-V348 VanDerWaalsContact CD2-O 3.25Å; L230-V348 WeakPolarHBondContact CD2-O 3.42Å; H264-V348 HydrophobicContact CB-CB 4.49Å; H264-V348 HydrophobicContact CB-CG1 4.23Å; H264-V348 HydrophobicContact CB-CG2 4.39Å; K346-V348 HydrophobicContact CB-CG2 4.2Å; V348-D350 HydrophobicContact CG1-CB 3.95Å; V348-D350 PolarHBondContact O-N 3.28Å
349A96.3Very high83.4Confident0 Ų045.1 Ų45.10%025%0.247CC..  trans-81.755.2-178.500000112F185 L230 H264 I265 P266 F347 H351 F353F185-A349 WeakPolarHBondContact CD2-O 3.37Å; F185-A349 WeakPolarHBondContact CE2-O 3.33Å; L230-A349 HydrophobicContact CD1-CB 4.42Å; H264-A349 PolarHBondContact O-N 3.12Å; I265-A349 HydrophobicContact CG1-CB 4.44Å; P266-A349 WeakPolarHBondContact CD-O 3.38Å; F347-A349 HydrophobicContact CD1-CB 4.5Å; F347-A349 HydrophobicContact CE1-CB 3.97Å; A349-H351 VanDerWaalsContact C-N 3.31Å; A349-F353 HydrophobicContact CB-CD1 3.73Å; A349-F353 HydrophobicContact CB-CE1 3.7Å; A349-F353 HydrophobicContact CB-CZ 4.45Å
350D95.6Very high85.3Confident29 Ų2943.8 Ų43.816%0.15523%0.23CC..  trans-87.88.8-179.870-7.7000113.7F185 Y186 M197 V348F185-D350 CarbonylContact C-O 3.43Å; F185-D350 WeakPolarHBondContact CA-O 3.47Å; Y186-D350 HydrophobicContact CD2-CB 4.39Å; Y186-D350 WeakPolarHBondContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.33Å; Y186-D350 PolarHBondContact N-O 3.45Å; M197-D350 HydrophobicContact CE-CB 4.28Å; V348-D350 HydrophobicContact CG1-CB 3.95Å; V348-D350 PolarHBondContact O-N 3.28Å
351H93.1Very high87.1Confident12 Ų1241.8 Ų41.86%0.05622%0.222CC..SBendtrans-155.8176.8-176.667.7-93000110.6F185 L230 P231 R234 A349 F353F185-H351 WeakPolarHBondContact CE2-O 3.32Å; F185-H351 WeakPolarHBondContact CZ-O 3.44Å; L230-H351 VanDerWaalsContact CD1-CE1 3.48Å; L230-H351 WeakPolarHBondContact CD1-CE1 3.38Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.13Å; P231-H351 PolarHBondContact O-CE1 3Å; P231-H351 PolarHBondContact O-NE2 3.37Å; R234-H351 VanDerWaalsContact CA-CD2 3.48Å; R234-H351 WeakPolarHBondContact CA-CD2 3.22Å; R234-H351 HydrophobicContact CG-CB 3.59Å; R234-H351 WeakPolarHBondContact O-CB 3.36Å; R234-H351 PolarHBondContact O-CD2 3.33Å; A349-H351 VanDerWaalsContact C-N 3.31Å; H351-F353 VanDerWaalsContact O-CD1 3.3Å; H351-F353 WeakPolarHBondContact O-CD1 3.42Å; H351-F353 PolarHBondContact O-N 3.33Å
352P91.4Very high88.9Confident9 Ų939.2 Ų39.26%0.05820%0.202CC..  trans-51.7124.8-170.4-22.726.1000114.7Y186 P231 R234 F235 L237 I371 P372Y186-P352 WeakPolarHBondContact O-CD 3.43Å; P231-P352 VanDerWaalsContact CD-O 3.27Å; P231-P352 WeakPolarHBondContact CD-O 3.42Å; R234-P352 WeakPolarHBondContact O-CD 3.19Å; F235-P352 HydrophobicContact CD1-CG 4.36Å; L237-P352 HydrophobicContact CB-CB 4.02Å; L237-P352 HydrophobicContact CD2-CB 3.57Å; L237-P352 HydrophobicContact CG-CB 4.48Å; P352-I371 CarbonylContact C-O 3.38Å; P352-I371 WeakPolarHBondContact CA-O 3.15Å; P352-P372 HydrophobicContact CB-CB 3.63Å; P352-P372 HydrophobicContact CB-CG 3.71Å; P352-P372 HydrophobicContact CG-CB 3.52Å; P352-P372 HydrophobicContact CG-CG 3.89Å
353F92Very high90.3Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-133.9158.6174.860.4-96.8000112.4F185 F228 I229 L230 P266 F268 A349 H351 F355 L370 I371F185-F353 HydrophobicContact CE2-CD1 4.28Å; F185-F353 AromaticContact CE2-CE1 3.98Å; F185-F353 HydrophobicContact CE2-CE1 3.98Å; F228-F353 AromaticContact CD1-CD2 4Å; F228-F353 HydrophobicContact CD1-CD2 4Å; F228-F353 AromaticContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CE2 3.66Å; F228-F353 HydrophobicContact CD1-CZ 4.35Å; F228-F353 HydrophobicContact CE1-CE2 4.03Å; I229-F353 WeakPolarHBondContact O-CB 3.09Å; L230-F353 HydrophobicContact CB-CB 4.48Å; L230-F353 HydrophobicContact CD1-CB 3.83Å; L230-F353 HydrophobicContact CD1-CD1 4.49Å; P266-F353 HydrophobicContact CG-CE1 4.32Å; F268-F353 HydrophobicContact CE1-CZ 4.43Å; A349-F353 HydrophobicContact CB-CD1 3.73Å; A349-F353 HydrophobicContact CB-CE1 3.7Å; A349-F353 HydrophobicContact CB-CZ 4.45Å; H351-F353 VanDerWaalsContact O-CD1 3.3Å; H351-F353 WeakPolarHBondContact O-CD1 3.42Å; H351-F353 PolarHBondContact O-N 3.33Å; F353-F355 HydrophobicContact CD2-CB 4.36Å; F353-F355 HydrophobicContact CE2-CB 4.25Å; F353-F355 HydrophobicContact CE2-CD1 4.38Å; F353-L370 CarbonylContact O-C 3.6Å; F353-L370 WeakPolarHBondContact O-CA 3.47Å; F353-I371 HydrophobicContact CD1-CB 4.5Å; F353-I371 HydrophobicContact CD2-CB 4.31Å; F353-I371 HydrophobicContact CE1-CB 4.12Å; F353-I371 HydrophobicContact CE1-CG2 4.13Å; F353-I371 HydrophobicContact CE2-CB 3.91Å; F353-I371 HydrophobicContact CE2-CD1 3.7Å; F353-I371 HydrophobicContact CE2-CG1 3.99Å; F353-I371 HydrophobicContact CZ-CB 3.83Å; F353-I371 HydrophobicContact CZ-CD1 3.65Å; F353-I371 HydrophobicContact CZ-CG1 4.15Å; F353-I371 HydrophobicContact CZ-CG2 4.08Å; F353-I371 PolarHBondContact N-O 3.46Å; F353-I371 PolarHBondContact O-N 3.07Å
354L91.7Very high90.9Very high1 Ų129.1 Ų29.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-92.5136.3166.8174.669.9000108.3F228 I229 L237 M241 L244 L249 I368 D369 L370F228-L354 WeakPolarHBondContact CA-O 3.41Å; I229-L354 HydrophobicContact CB-CB 4.26Å; I229-L354 HydrophobicContact CD1-CD2 3.96Å; I229-L354 PolarHBondContact N-O 2.83Å; I229-L354 PolarHBondContact O-N 3.25Å; L237-L354 HydrophobicContact CD1-CB 4.28Å; M241-L354 HydrophobicContact SD-CD2 4.23Å; L244-L354 HydrophobicContact CD2-CD2 3.83Å; L249-L354 HydrophobicContact CD1-CD2 4.22Å; L354-I368 HydrophobicContact CD1-CD1 4.05Å; L354-I368 HydrophobicContact CD1-CG1 3.68Å; L354-D369 WeakPolarHBondContact CD1-O 3.18Å; L354-L370 HydrophobicContact CB-CD2 3.68Å; L354-L370 HydrophobicContact CD1-CD2 3.66Å; L354-L370 HydrophobicContact CD1-CG 4.14Å; L354-L370 HydrophobicContact CG-CD2 4.24Å
355F92.1Very high91.2Very high0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-121.5153.9164.579.2-88.8000111.3F26 M226 Y227 F228 F268 L270 I316 F353 I368 D369 I371F26-F355 HydrophobicContact CD2-CZ 4.11Å; F26-F355 HydrophobicContact CE2-CE2 4.34Å; F26-F355 HydrophobicContact CE2-CZ 4.06Å; M226-F355 HydrophobicContact CE-CD2 3.89Å; M226-F355 HydrophobicContact CE-CE2 4.14Å; M226-F355 HydrophobicContact SD-CD2 4.34Å; Y227-F355 CarbonylContact O-C 3.59Å; Y227-F355 WeakPolarHBondContact O-CA 3.2Å; Y227-F355 WeakPolarHBondContact O-CB 3.45Å; F228-F355 HydrophobicContact CD1-CB 4.1Å; F228-F355 HydrophobicContact CE1-CB 4.34Å; F268-F355 HydrophobicContact CE2-CE1 4.05Å; F268-F355 HydrophobicContact CE2-CZ 4.08Å; F268-F355 HydrophobicContact CZ-CD1 4.28Å; F268-F355 HydrophobicContact CZ-CE1 4.28Å; F268-F355 HydrophobicContact CZ-CG 4.49Å; L270-F355 HydrophobicContact CD1-CE1 3.73Å; L270-F355 HydrophobicContact CD1-CZ 3.67Å; I316-F355 HydrophobicContact CD1-CE2 4.13Å; F353-F355 HydrophobicContact CD2-CB 4.36Å; F353-F355 HydrophobicContact CE2-CB 4.25Å; F353-F355 HydrophobicContact CE2-CD1 4.38Å; F355-I368 WeakPolarHBondContact O-CA 3.4Å; F355-D369 HydrophobicContact CD1-CB 4.44Å; F355-D369 WeakPolarHBondContact CD1-O 3.47Å; F355-D369 HydrophobicContact CE1-CB 3.62Å; F355-D369 HydrophobicContact CZ-CB 3.84Å; F355-D369 PolarHBondContact N-O 3.37Å; F355-D369 PolarHBondContact O-N 3.19Å; F355-D369 VanDerWaalsContact O-N 3.17Å; F355-I371 HydrophobicContact CD1-CD1 3.84Å; F355-I371 HydrophobicContact CD1-CG1 3.79Å; F355-I371 HydrophobicContact CE1-CD1 3.84Å; F355-I371 HydrophobicContact CE1-CG1 3.78Å
356A93.4Very high91Very high2 Ų226.5 Ų26.52%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-143.5135.8172.500000110.5M226 Y227 F253 V358 I365 F367M226-A356 CarbonylContact C-O 3.46Å; M226-A356 WeakPolarHBondContact CA-O 3.37Å; Y227-A356 PolarHBondContact N-O 2.73Å; Y227-A356 PolarHBondContact O-N 2.96Å; F253-A356 HydrophobicContact CZ-CB 3.84Å; A356-V358 HydrophobicContact CB-CG2 4.03Å; A356-I365 HydrophobicContact CB-CG2 4.24Å; A356-F367 CarbonylContact C-O 3.54Å; A356-F367 WeakPolarHBondContact CA-O 3.42Å
357I92Very high90.7Very high0 Ų021.2 Ų21.20%011%0.106CC..EExtended strand (participates in β ladder)trans-91.4123.3164.4-63.6163.7000107.5F167 Y219 L225 M226 I316 L366 F367F167-I357 HydrophobicContact CD1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CG1 4.35Å; F167-I357 HydrophobicContact CE1-CG2 4.33Å; F167-I357 HydrophobicContact CG-CD1 4.36Å; F167-I357 HydrophobicContact CZ-CD1 4.37Å; F167-I357 HydrophobicContact CZ-CG2 4.32Å; Y219-I357 HydrophobicContact CE2-CG1 4.35Å; Y219-I357 HydrophobicContact CE2-CG2 4.32Å; L225-I357 WeakPolarHBondContact O-CA 3.14Å; M226-I357 HydrophobicContact CB-CG1 4.43Å; M226-I357 HydrophobicContact CE-CD1 3.73Å; M226-I357 HydrophobicContact CE-CG1 3.48Å; M226-I357 VanDerWaalsContact CE-CG1 3.48Å; M226-I357 HydrophobicContact CG-CG1 4.45Å; I316-I357 HydrophobicContact CD1-CD1 3.34Å; I316-I357 HydrophobicContact CD1-CG1 4.34Å; I316-I357 HydrophobicContact CG1-CD1 4.34Å; I357-L366 HydrophobicContact CG2-CB 4.4Å; I357-L366 HydrophobicContact CG2-CD1 4.4Å; I357-L366 PolarHBondContact O-N 3.1Å; I357-F367 HydrophobicContact CB-CB 4.21Å; I357-F367 HydrophobicContact CB-CD2 4.1Å; I357-F367 HydrophobicContact CD1-CB 4.14Å; I357-F367 HydrophobicContact CD1-CD2 3.67Å; I357-F367 HydrophobicContact CD1-CE2 4.41Å; I357-F367 HydrophobicContact CD1-CG 4.17Å; I357-F367 HydrophobicContact CG1-CB 4.42Å; I357-F367 HydrophobicContact CG1-CD2 4.46Å; I357-F367 PolarHBondContact N-O 3.35Å; I357-F367 PolarHBondContact O-N 2.91Å
358V92.3Very high90.3Very high5 Ų521.2 Ų21.23%0.0311%0.106CC..EExtended strand (participates in β ladder)trans-122.4128.2-173.9-174.30000109.3L224 L225 Y227 F253 A356 R360 I364 I365L224-V358 WeakPolarHBondContact CA-O 3.44Å; L225-V358 PolarHBondContact N-O 2.99Å; L225-V358 PolarHBondContact O-N 2.91Å; Y227-V358 HydrophobicContact CD2-CB 4.03Å; Y227-V358 HydrophobicContact CD2-CG2 3.79Å; Y227-V358 HydrophobicContact CE2-CB 4.15Å; Y227-V358 HydrophobicContact CE2-CG2 4.33Å; F253-V358 HydrophobicContact CD2-CG2 4.04Å; F253-V358 HydrophobicContact CE2-CG2 3.64Å; F253-V358 HydrophobicContact CZ-CG2 4Å; A356-V358 HydrophobicContact CB-CG2 4.03Å; V358-R360 PolarHBondContact O-N 2.64Å; V358-I364 CarbonylContact C-O 3.23Å; V358-I364 WeakPolarHBondContact CA-O 3.18Å; V358-I365 HydrophobicContact CG2-CG1 4.34Å
359D87Confident89.9Confident0 Ų019.9 Ų19.90%010%0.097CC..EExtended strand (participates in β ladder)trans-76105159.7-179.8-4.8000108.1L76 Y78 L224 S361 N362 R363 I364L76-D359 HydrophobicContact CD2-CB 4.3Å; L76-D359 WeakPolarHBondContact CD2-OD2 3.31Å; Y78-D359 PolarHBondContact OH-OD2 3.29Å; L224-D359 HydrophobicContact CD2-CB 3.72Å; D359-S361 PolarHBondContact O-N 3.29Å; D359-S361 VanDerWaalsContact OD1-CB 3.28Å; D359-S361 WeakPolarHBondContact OD1-CB 3.18Å; D359-S361 PolarHBondContact OD1-N 3.18Å; D359-S361 PolarHBondContact OD1-OG 2.91Å; D359-N362 PolarHBondContact O-N 2.84Å; D359-N362 PolarHBondContact OD2-ND2 3.2Å; D359-R363 WeakPolarHBondContact O-CA 3.33Å; D359-R363 PolarHBondContact O-N 2.65Å; D359-I364 PolarHBondContact N-O 2.94Å; D359-I364 PolarHBondContact O-N 2.92Å; D359-I364 VanDerWaalsContact O-N 3.08Å
360R84.7Confident89.4Confident137 Ų13720.9 Ų20.952%0.51710%0.102SC..THydrogen-bonded Turntrans-66.1-29.2-177.3-170.9176.7-179.2-173.72.3112.2K223 L225 V358 N362K223-R360 WeakPolarHBondContact O-CB 3.49Å; K223-R360 PolarHBondContact O-N 2.57Å; L225-R360 HydrophobicContact CD1-CB 4.2Å; V358-R360 PolarHBondContact O-N 2.64Å; R360-N362 VanDerWaalsContact C-N 3.34Å
361S80Confident88.4Confident76 Ų7619.6 Ų19.653%0.53110%0.095SC..THydrogen-bonded Turntrans-66.2-41.4-178.4-39.40000111D359D359-S361 PolarHBondContact O-N 3.29Å; D359-S361 VanDerWaalsContact OD1-CB 3.28Å; D359-S361 WeakPolarHBondContact OD1-CB 3.18Å; D359-S361 PolarHBondContact OD1-N 3.18Å; D359-S361 PolarHBondContact OD1-OG 2.91Å
362N80.1Confident86.9Confident50 Ų5019.5 Ų19.527%0.26710%0.096SC..THydrogen-bonded Turntrans-102.1-6.5-179.1-64-67.5000113.5S75 D359 R360 I364S75-N362 PolarHBondContact OG-ND2 3.04Å; D359-N362 PolarHBondContact O-N 2.84Å; D359-N362 PolarHBondContact OD2-ND2 3.2Å; R360-N362 VanDerWaalsContact C-N 3.34Å; N362-I364 VanDerWaalsContact C-N 3.27Å; N362-I364 HydrophobicContact CB-CB 4.36Å; N362-I364 HydrophobicContact CB-CD1 3.58Å; N362-I364 HydrophobicContact CB-CG1 3.74Å; N362-I364 PolarHBondContact O-N 2.8Å
363R87.2Confident85.2Confident73 Ų7321 Ų2128%0.27510%0.102SC..THydrogen-bonded Turntrans52.645.1-171.1-60.4176.672.4-166.26112D4 D254 D359D4-R363 HydrophobicContact CB-CB 3.56Å; D4-R363 VanDerWaalsContact OD2-CD 3.26Å; D4-R363 WeakPolarHBondContact OD2-CD 3.39Å; D4-R363 IonicContact OD2-CZ 3.72Å; D4-R363 IonicContact OD2-NE 2.92Å; D4-R363 PolarHBondContact OD2-NE 3.29Å; D4-R363 IonicContact OD2-NH1 2.75Å; D4-R363 PolarHBondContact OD2-NH1 2.85Å; D254-R363 IonicContact OD2-CZ 3.92Å; D254-R363 VanDerWaalsContact OD2-CZ 3.31Å; D254-R363 IonicContact OD2-NE 2.92Å; D254-R363 IonicContact OD2-NH2 2.71Å; D254-R363 PolarHBondContact OD2-NH2 3.33Å; D359-R363 WeakPolarHBondContact O-CA 3.33Å; D359-R363 PolarHBondContact O-N 2.65Å
364I88.3Confident82.9Confident3 Ų321.8 Ų21.82%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-106.5126.8-177.4-68.8176.8000110.3F30 V72 V358 D359 N362 L366F30-I364 HydrophobicContact CB-CG2 3.66Å; F30-I364 HydrophobicContact CD1-CG2 4.1Å; F30-I364 HydrophobicContact CD2-CD1 4.17Å; F30-I364 HydrophobicContact CD2-CG2 3.4Å; F30-I364 HydrophobicContact CE2-CD1 3.88Å; F30-I364 HydrophobicContact CE2-CG2 4.15Å; F30-I364 HydrophobicContact CG-CG2 3.39Å; F30-I364 HydrophobicContact CZ-CD1 4.35Å; V72-I364 HydrophobicContact CB-CD1 4.13Å; V72-I364 HydrophobicContact CG1-CD1 3.26Å; V72-I364 HydrophobicContact CG2-CD1 3.66Å; V358-I364 CarbonylContact C-O 3.23Å; V358-I364 WeakPolarHBondContact CA-O 3.18Å; D359-I364 PolarHBondContact N-O 2.94Å; D359-I364 PolarHBondContact O-N 2.92Å; D359-I364 VanDerWaalsContact O-N 3.08Å; N362-I364 VanDerWaalsContact C-N 3.27Å; N362-I364 HydrophobicContact CB-CB 4.36Å; N362-I364 HydrophobicContact CB-CD1 3.58Å; N362-I364 HydrophobicContact CB-CG1 3.74Å; N362-I364 PolarHBondContact O-N 2.8Å; I364-L366 HydrophobicContact CG2-CD2 4.07Å; I364-L366 PolarHBondContact O-N 3.1Å
365I91.8Very high80.5Confident4 Ų422.4 Ų22.42%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-80103.1172.9-58.5172.2000108.3A8 A11 L249 F253 A356 V358 F367 I368A8-I365 HydrophobicContact CB-CD1 3.93Å; A11-I365 HydrophobicContact CB-CB 4.38Å; A11-I365 HydrophobicContact CB-CD1 4.25Å; L249-I365 HydrophobicContact CD2-CD1 3.56Å; L249-I365 HydrophobicContact CG-CD1 4.41Å; F253-I365 HydrophobicContact CE2-CD1 4.33Å; F253-I365 HydrophobicContact CE2-CG1 4.34Å; A356-I365 HydrophobicContact CB-CG2 4.24Å; V358-I365 HydrophobicContact CG2-CG1 4.34Å; I365-F367 WeakPolarHBondContact CG2-O 3.41Å; I365-I368 HydrophobicContact CG2-CB 3.96Å; I365-I368 HydrophobicContact CG2-CG2 4.48Å
366L88.7Confident78.4Confident0 Ų022.9 Ų22.90%012%0.117CC..EExtended strand (participates in β ladder)trans-75.3-41.7177.7-68180000111.2S28 F30 L76 L224 I357 I364S28-L366 WeakPolarHBondContact CA-O 3.45Å; S28-L366 WeakPolarHBondContact CB-O 3.32Å; S28-L366 PolarHBondContact OG-O 2.74Å; F30-L366 HydrophobicContact CB-CD2 4.32Å; F30-L366 HydrophobicContact CD1-CD2 4.04Å; F30-L366 HydrophobicContact CG-CD2 4.41Å; L76-L366 HydrophobicContact CD1-CD2 3.97Å; L76-L366 HydrophobicContact CD2-CD1 4.43Å; L76-L366 HydrophobicContact CD2-CD2 4Å; L224-L366 HydrophobicContact CD1-CD1 4.48Å; L224-L366 HydrophobicContact CD2-CD1 3.71Å; I357-L366 HydrophobicContact CG2-CB 4.4Å; I357-L366 HydrophobicContact CG2-CD1 4.4Å; I357-L366 PolarHBondContact O-N 3.1Å; I364-L366 HydrophobicContact CG2-CD2 4.07Å; I364-L366 PolarHBondContact O-N 3.1Å
367F90.6Very high75.7Confident0 Ų029.9 Ų29.90%015%0.154CC..EExtended strand (participates in β ladder)trans-139.5148.5179.9-65.1-87000110.2F26 I27 I165 F167 A314 A356 I357 I365F26-F367 HydrophobicContact CE1-CD1 4.04Å; F26-F367 HydrophobicContact CE1-CE1 4.14Å; F26-F367 HydrophobicContact CE2-CB 3.9Å; F26-F367 AromaticContact CE2-CD1 3.56Å; F26-F367 HydrophobicContact CE2-CD1 3.56Å; F26-F367 HydrophobicContact CE2-CE1 4.42Å; F26-F367 HydrophobicContact CE2-CG 4.08Å; F26-F367 HydrophobicContact CZ-CB 4.28Å; F26-F367 AromaticContact CZ-CD1 3.12Å; F26-F367 HydrophobicContact CZ-CD1 3.12Å; F26-F367 AromaticContact CZ-CE1 3.56Å; F26-F367 HydrophobicContact CZ-CE1 3.56Å; F26-F367 AromaticContact CZ-CG 3.95Å; F26-F367 HydrophobicContact CZ-CG 3.95Å; I27-F367 WeakPolarHBondContact O-CA 3.4Å; I165-F367 HydrophobicContact CD1-CE1 4.26Å; I165-F367 HydrophobicContact CD1-CE2 4.13Å; I165-F367 HydrophobicContact CD1-CZ 3.66Å; I165-F367 HydrophobicContact CG1-CE1 4.31Å; I165-F367 HydrophobicContact CG1-CZ 3.73Å; I165-F367 HydrophobicContact CG2-CE1 3.92Å; I165-F367 HydrophobicContact CG2-CZ 4.21Å; F167-F367 HydrophobicContact CB-CD2 4.33Å; F167-F367 HydrophobicContact CB-CE2 3.3Å; F167-F367 HydrophobicContact CB-CZ 3.4Å; F167-F367 HydrophobicContact CD1-CE2 4.31Å; F167-F367 HydrophobicContact CD2-CE2 4.44Å; F167-F367 AromaticContact CG-CE2 3.79Å; F167-F367 HydrophobicContact CG-CE2 3.79Å; F167-F367 HydrophobicContact CG-CZ 4.37Å; A314-F367 HydrophobicContact CB-CE1 4.23Å; A356-F367 CarbonylContact C-O 3.54Å; A356-F367 WeakPolarHBondContact CA-O 3.42Å; I357-F367 HydrophobicContact CB-CB 4.21Å; I357-F367 HydrophobicContact CB-CD2 4.1Å; I357-F367 HydrophobicContact CD1-CB 4.14Å; I357-F367 HydrophobicContact CD1-CD2 3.67Å; I357-F367 HydrophobicContact CD1-CE2 4.41Å; I357-F367 HydrophobicContact CD1-CG 4.17Å; I357-F367 HydrophobicContact CG1-CB 4.42Å; I357-F367 HydrophobicContact CG1-CD2 4.46Å; I357-F367 PolarHBondContact N-O 3.35Å; I357-F367 PolarHBondContact O-N 2.91Å; I365-F367 WeakPolarHBondContact CG2-O 3.41Å
368I91Very high72.9Confident0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-150.8133.8176.6-169.7169.6000110.4L12 Y15 I27 P29 L249 L354 F355 I365L12-I368 HydrophobicContact CD2-CD1 3.98Å; Y15-I368 HydrophobicContact CD2-CG2 3.7Å; Y15-I368 HydrophobicContact CE2-CG2 4.39Å; Y15-I368 HydrophobicContact CG-CG2 4.18Å; I27-I368 HydrophobicContact CD1-CG2 4.46Å; I27-I368 HydrophobicContact CG1-CG2 4.02Å; I27-I368 PolarHBondContact O-N 2.96Å; P29-I368 HydrophobicContact CG-CG2 3.51Å; L249-I368 HydrophobicContact CD2-CD1 4.33Å; L354-I368 HydrophobicContact CD1-CD1 4.05Å; L354-I368 HydrophobicContact CD1-CG1 3.68Å; F355-I368 WeakPolarHBondContact O-CA 3.4Å; I365-I368 HydrophobicContact CG2-CB 3.96Å; I365-I368 HydrophobicContact CG2-CG2 4.48Å
369D88.2Confident70Confident17 Ų1740.4 Ų40.49%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-160.2159.9169-165.417.5000113Y15 F25 F26 L354 F355Y15-D369 HydrophobicContact CE2-CB 4.38Å; Y15-D369 PolarHBondContact OH-OD1 3.38Å; F25-D369 VanDerWaalsContact O-OD1 3.06Å; F26-D369 HydrophobicContact CB-CB 4.41Å; F26-D369 HydrophobicContact CD2-CB 4.02Å; L354-D369 WeakPolarHBondContact CD1-O 3.18Å; F355-D369 HydrophobicContact CD1-CB 4.44Å; F355-D369 WeakPolarHBondContact CD1-O 3.47Å; F355-D369 HydrophobicContact CE1-CB 3.62Å; F355-D369 HydrophobicContact CZ-CB 3.84Å; F355-D369 PolarHBondContact N-O 3.37Å; F355-D369 PolarHBondContact O-N 3.19Å; F355-D369 VanDerWaalsContact O-N 3.17Å
370L85.4Confident67.4Low21 Ų2144.6 Ų44.611%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-100113.1174.3-64.1166.2000108.6Y15 L237 M241 F353 L354 P372Y15-L370 HydrophobicContact CE1-CD1 3.67Å; Y15-L370 HydrophobicContact CE1-CG 3.78Å; Y15-L370 VanDerWaalsContact OH-CB 3.29Å; Y15-L370 WeakPolarHBondContact OH-CB 3.33Å; Y15-L370 WeakPolarHBondContact OH-CD1 3.45Å; Y15-L370 WeakPolarHBondContact OH-CG 3.5Å; Y15-L370 PolarHBondContact OH-N 3.27Å; L237-L370 HydrophobicContact CD1-CD2 3.86Å; L237-L370 HydrophobicContact CD2-CB 4.22Å; L237-L370 HydrophobicContact CD2-CD2 3.48Å; L237-L370 VanDerWaalsContact CD2-CD2 3.48Å; L237-L370 HydrophobicContact CD2-CG 4.34Å; L237-L370 HydrophobicContact CG-CD2 3.78Å; M241-L370 HydrophobicContact CE-CD1 4.29Å; M241-L370 HydrophobicContact CE-CD2 4.37Å; M241-L370 HydrophobicContact CG-CD1 4.1Å; M241-L370 HydrophobicContact CG-CD2 3.92Å; M241-L370 HydrophobicContact SD-CD1 4.42Å; M241-L370 HydrophobicContact SD-CD2 3.69Å; F353-L370 CarbonylContact O-C 3.6Å; F353-L370 WeakPolarHBondContact O-CA 3.47Å; L354-L370 HydrophobicContact CB-CD2 3.68Å; L354-L370 HydrophobicContact CD1-CD2 3.66Å; L354-L370 HydrophobicContact CD1-CG 4.14Å; L354-L370 HydrophobicContact CG-CD2 4.24Å; L370-P372 WeakPolarHBondContact O-CD 3.46Å
371I75Confident65Low2 Ų249 Ų491%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-87102.8169.4-60.7-171.7000106.8F185 F268 P352 F353 F355 A375F185-I371 HydrophobicContact CZ-CG2 4.09Å; F268-I371 HydrophobicContact CD1-CD1 3.5Å; F268-I371 VanDerWaalsContact CD1-CD1 3.5Å; F268-I371 HydrophobicContact CD2-CD1 3.77Å; F268-I371 HydrophobicContact CE1-CD1 3.43Å; F268-I371 VanDerWaalsContact CE1-CD1 3.43Å; F268-I371 HydrophobicContact CE2-CD1 3.69Å; F268-I371 HydrophobicContact CG-CD1 3.67Å; F268-I371 HydrophobicContact CZ-CD1 3.52Å; P352-I371 CarbonylContact C-O 3.38Å; P352-I371 WeakPolarHBondContact CA-O 3.15Å; F353-I371 HydrophobicContact CD1-CB 4.5Å; F353-I371 HydrophobicContact CD2-CB 4.31Å; F353-I371 HydrophobicContact CE1-CB 4.12Å; F353-I371 HydrophobicContact CE1-CG2 4.13Å; F353-I371 HydrophobicContact CE2-CB 3.91Å; F353-I371 HydrophobicContact CE2-CD1 3.7Å; F353-I371 HydrophobicContact CE2-CG1 3.99Å; F353-I371 HydrophobicContact CZ-CB 3.83Å; F353-I371 HydrophobicContact CZ-CD1 3.65Å; F353-I371 HydrophobicContact CZ-CG1 4.15Å; F353-I371 HydrophobicContact CZ-CG2 4.08Å; F353-I371 PolarHBondContact N-O 3.46Å; F353-I371 PolarHBondContact O-N 3.07Å; F355-I371 HydrophobicContact CD1-CD1 3.84Å; F355-I371 HydrophobicContact CD1-CG1 3.79Å; F355-I371 HydrophobicContact CE1-CD1 3.84Å; F355-I371 HydrophobicContact CE1-CG1 3.78Å; I371-A375 HydrophobicContact CD1-CB 4.35Å; I371-A375 HydrophobicContact CG1-CB 4.46Å; I371-A375 HydrophobicContact CG2-CB 3.98Å
372P62.8Low62.7Low10 Ų1047 Ų477%0.06524%0.238CC..THydrogen-bonded Turn-125.9-6.512232.9-33.7000116.3F185 V187 P352 L370 G374F185-P372 HydrophobicContact CE1-CB 4.04Å; F185-P372 HydrophobicContact CZ-CB 4.38Å; V187-P372 WeakPolarHBondContact CG1-O 3.25Å; P352-P372 HydrophobicContact CB-CB 3.63Å; P352-P372 HydrophobicContact CB-CG 3.71Å; P352-P372 HydrophobicContact CG-CB 3.52Å; P352-P372 HydrophobicContact CG-CG 3.89Å; L370-P372 WeakPolarHBondContact O-CD 3.46Å; P372-G374 PolarHBondContact O-N 3.49Å
373K55.1Low60.6Low41 Ų4149.7 Ų49.718%0.17825%0.251CS..SBendtrans-91.2-7-138.1-67.2-177.8173.4-165.90118.1L382K373-L382 HydrophobicContact CB-CB 3.82Å; K373-L382 HydrophobicContact CD-CB 3.65Å; K373-L382 HydrophobicContact CD-CD2 3.88Å; K373-L382 HydrophobicContact CD-CG 4.35Å; K373-L382 HydrophobicContact CG-CB 3.56Å; K373-L382 HydrophobicContact CG-CD2 3.78Å; K373-L382 HydrophobicContact CG-CG 4.13Å
374G44.1Very low58.1Low16 Ų1651.4 Ų51.417%0.16527%0.265CS..SBendtrans154.8-3.8-168.400000114.3P372 I376 S378P372-G374 PolarHBondContact O-N 3.49Å; G374-I376 CarbonylContact O-C 3.56Å; G374-I376 PolarHBondContact O-N 3.28Å; G374-S378 CarbonylContact C-O 3.5Å; G374-S378 WeakPolarHBondContact CA-O 3.47Å; G374-S378 CarbonylContact O-C 3.6Å; G374-S378 PolarHBondContact O-N 2.97Å; G374-S378 VanDerWaalsContact O-N 3.11Å
375A41.7Very low55.5Low13 Ų1355.9 Ų55.911%0.10729%0.293CS..THydrogen-bonded Turntrans-57-20.7177.400000113.7F268 L270 I371 N377F268-A375 HydrophobicContact CB-CB 4.01Å; L270-A375 HydrophobicContact CD2-CB 3.74Å; I371-A375 HydrophobicContact CD1-CB 4.35Å; I371-A375 HydrophobicContact CG1-CB 4.46Å; I371-A375 HydrophobicContact CG2-CB 3.98Å; A375-N377 PolarHBondContact O-N 2.73Å
376I47.6Very low53.1Low10 Ų1062 Ų625%0.05133%0.326CS..THydrogen-bonded Turntrans-93.388.5171.2-48.6125.6000107.5F185 T194 V195 G374 S378F185-I376 HydrophobicContact CB-CD1 3.88Å; F185-I376 HydrophobicContact CD1-CD1 3.64Å; F185-I376 HydrophobicContact CD2-CD1 4.12Å; F185-I376 HydrophobicContact CE1-CD1 4.18Å; F185-I376 HydrophobicContact CG-CD1 3.62Å; T194-I376 VanDerWaalsContact O-CG2 3.28Å; T194-I376 WeakPolarHBondContact O-CG2 3.25Å; V195-I376 VanDerWaalsContact CA-CG2 3.49Å; V195-I376 HydrophobicContact CB-CB 4.24Å; V195-I376 HydrophobicContact CB-CD1 4.21Å; V195-I376 HydrophobicContact CB-CG1 3.73Å; V195-I376 HydrophobicContact CB-CG2 3.56Å; V195-I376 HydrophobicContact CG1-CB 3.82Å; V195-I376 HydrophobicContact CG1-CD1 3.22Å; V195-I376 HydrophobicContact CG1-CG1 3.27Å; V195-I376 HydrophobicContact CG1-CG2 3.51Å; G374-I376 CarbonylContact O-C 3.56Å; G374-I376 PolarHBondContact O-N 3.28Å; I376-S378 PolarHBondContact O-N 3.38Å; I376-S378 VanDerWaalsContact O-N 3.16Å
377N37.1Very low51.2Low149 Ų14965.8 Ų65.880%0.79736%0.357SS*.THydrogen-bonded Turntrans41.255.1171.1-64.5-20.6000115.1A375A375-N377 PolarHBondContact O-N 2.73Å
378S32.3Very low49.5Very low42 Ų4270.7 Ų70.729%0.29438%0.382SS..  trans-173.6122.4156.6370000112.1K193 G374 I376 T380K193-S378 PolarHBondContact NZ-OG 3.12Å; G374-S378 CarbonylContact C-O 3.5Å; G374-S378 WeakPolarHBondContact CA-O 3.47Å; G374-S378 CarbonylContact O-C 3.6Å; G374-S378 PolarHBondContact O-N 2.97Å; G374-S378 VanDerWaalsContact O-N 3.11Å; I376-S378 PolarHBondContact O-N 3.38Å; I376-S378 VanDerWaalsContact O-N 3.16Å; S378-T380 PolarHBondContact O-N 3.45Å
379L31.1Very low48.5Very low185 Ų18579.5 Ų79.597%0.96942%0.417SS*.  trans-62.968.9165.2-78.1156.7000110.8
380T32.2Very low47.9Very low88 Ų8881.4 Ų81.454%0.5442%0.424SS..  trans-114.2121.5175.2-45.80000110.4S378 L382S378-T380 PolarHBondContact O-N 3.45Å; T380-L382 PolarHBondContact O-N 2.95Å; T380-L382 VanDerWaalsContact O-N 3.15Å
381R34.3Very low47.7Very low228 Ų22888.6 Ų88.686%0.8645%0.454SS*.  trans-61.3103.5-176.7-65.2167.7176.3171.7-2.2110.9I383R381-I383 PolarHBondContact O-N 2.95Å
382L32.7Very low48.2Very low36 Ų3690.3 Ų90.319%0.18847%0.469CS..  trans-72.5116.9167.1-160.693.5000109.4V187 K188 K373 T380 L384V187-L382 HydrophobicContact CG1-CD1 4.39Å; K188-L382 HydrophobicContact CD-CD1 4.42Å; K373-L382 HydrophobicContact CB-CB 3.82Å; K373-L382 HydrophobicContact CD-CB 3.65Å; K373-L382 HydrophobicContact CD-CD2 3.88Å; K373-L382 HydrophobicContact CD-CG 4.35Å; K373-L382 HydrophobicContact CG-CB 3.56Å; K373-L382 HydrophobicContact CG-CD2 3.78Å; K373-L382 HydrophobicContact CG-CG 4.13Å; T380-L382 PolarHBondContact O-N 2.95Å; T380-L382 VanDerWaalsContact O-N 3.15Å; L382-L384 PolarHBondContact O-N 3.01Å
383I35Very low49.4Very low105 Ų10592 Ų9254%0.53849%0.488SS..  trans-78.5106177.3-57.8175000108R381 T385R381-I383 PolarHBondContact O-N 2.95Å; I383-T385 HydrophobicContact CG2-CG2 3.09Å; I383-T385 WeakPolarHBondContact CG2-OG1 3.23Å; I383-T385 PolarHBondContact O-N 2.65Å; I383-T385 VanDerWaalsContact O-N 3.13Å
384L34.7Very low51.1Low109 Ų10992.5 Ų92.557%0.57149%0.489SS*.  trans-78.571.3153.3-81.5168.2000107.2L382 N386L382-L384 PolarHBondContact O-N 3.01Å; L384-N386 VanDerWaalsContact C-N 3.3Å; L384-N386 PolarHBondContact O-N 2.77Å
385T34.8Very low53.3Low97 Ų9795.8 Ų95.860%0.59550%0.499SS*.  trans-75.294.1166.733.20000105.7I383 A387I383-T385 HydrophobicContact CG2-CG2 3.09Å; I383-T385 WeakPolarHBondContact CG2-OG1 3.23Å; I383-T385 PolarHBondContact O-N 2.65Å; I383-T385 VanDerWaalsContact O-N 3.13Å; T385-A387 HydrophobicContact CG2-CB 4Å; T385-A387 PolarHBondContact O-N 2.69Å
386N40.9Very low55.5Low134 Ų13497.6 Ų97.672%0.71751%0.509SS*.  trans-70.570.4138.5-81.3-1.5000106.2L384 I388L384-N386 VanDerWaalsContact C-N 3.3Å; L384-N386 PolarHBondContact O-N 2.77Å; N386-I388 PolarHBondContact O-N 2.66Å
387A48.2Very low57.6Low78 Ų78101.3 Ų101.365%0.64553%0.533SS*.  trans-85.296.6165.100000105.2T385 Y389T385-A387 HydrophobicContact CG2-CB 4Å; T385-A387 PolarHBondContact O-N 2.69Å; A387-Y389 PolarHBondContact O-N 3.37Å
388I56.2Low60.1Low104 Ų10496.3 Ų96.353%0.53351%0.505SS..  trans-83.3112.5169.2-51.5179.7000105.5N386 F570N386-I388 PolarHBondContact O-N 2.66Å; I388-F570 HydrophobicContact CB-CE1 4.06Å; I388-F570 HydrophobicContact CB-CE2 4.43Å; I388-F570 HydrophobicContact CB-CZ 3.61Å; I388-F570 HydrophobicContact CG2-CE1 4.29Å; I388-F570 HydrophobicContact CG2-CE2 3.79Å; I388-F570 HydrophobicContact CG2-CZ 3.36Å; I388-F570 WeakPolarHBondContact O-CE1 3.46Å; I388-F570 WeakPolarHBondContact O-CZ 3.41Å
389Y68.6Low62.9Low185 Ų185100.3 Ų100.373%0.72552%0.517SS*.  trans-90.2125.1170.4176.2-100.6000108.5A387 K391A387-Y389 PolarHBondContact O-N 3.37Å; Y389-K391 HydrophobicContact CE1-CB 3.64Å; Y389-K391 HydrophobicContact CE1-CD 4.47Å; Y389-K391 WeakPolarHBondContact OH-CD 3.13Å
390F75.4Confident65.7Low56 Ų5696.3 Ų96.325%0.24650%0.504CS..  trans-120.7124.4177.1176.6-96.8000110.5A392 Y442 L447 I560 F570F390-A392 HydrophobicContact CE1-CB 4.07Å; F390-A392 HydrophobicContact CE2-CB 3.98Å; F390-A392 HydrophobicContact CZ-CB 3.49Å; F390-A392 VanDerWaalsContact CZ-CB 3.49Å; F390-Y442 HydrophobicContact CE1-CD1 4.33Å; F390-Y442 HydrophobicContact CE1-CD2 4.41Å; F390-Y442 AromaticContact CE1-CE1 3.73Å; F390-Y442 HydrophobicContact CE1-CE1 3.73Å; F390-Y442 AromaticContact CE1-CE2 3.8Å; F390-Y442 HydrophobicContact CE1-CE2 3.8Å; F390-Y442 AromaticContact CE1-CZ 3.43Å; F390-Y442 VanDerWaalsContact CE1-CZ 3.43Å; F390-Y442 HydrophobicContact CZ-CD1 4.13Å; F390-Y442 AromaticContact CZ-CD2 3.85Å; F390-Y442 HydrophobicContact CZ-CD2 3.85Å; F390-Y442 AromaticContact CZ-CE1 3.97Å; F390-Y442 HydrophobicContact CZ-CE1 3.97Å; F390-Y442 AromaticContact CZ-CE2 3.66Å; F390-Y442 HydrophobicContact CZ-CE2 3.66Å; F390-Y442 HydrophobicContact CZ-CG 4.09Å; F390-Y442 AromaticContact CZ-CZ 3.74Å; F390-L447 HydrophobicContact CE2-CD1 3.61Å; F390-L447 HydrophobicContact CZ-CD1 4.22Å; F390-I560 HydrophobicContact CD1-CD1 3.52Å; F390-I560 HydrophobicContact CE1-CD1 3.66Å; F390-I560 HydrophobicContact CE1-CG2 4.45Å; F390-I560 HydrophobicContact CE2-CG2 4.44Å; F390-I560 HydrophobicContact CG-CD1 4.19Å; F390-I560 HydrophobicContact CZ-CD1 4.42Å; F390-I560 HydrophobicContact CZ-CG2 4.21Å; F390-F570 HydrophobicContact CB-CD2 4.31Å; F390-F570 HydrophobicContact CB-CE1 4.46Å; F390-F570 HydrophobicContact CB-CE2 3.41Å; F390-F570 VanDerWaalsContact CB-CE2 3.41Å; F390-F570 HydrophobicContact CB-CZ 3.48Å; F390-F570 VanDerWaalsContact CB-CZ 3.48Å; F390-F570 HydrophobicContact CD2-CE2 4.41Å; F390-F570 HydrophobicContact CG-CE2 4.01Å
391K82.3Confident68.5Low172 Ų17298.6 Ų98.675%0.74851%0.509SS*.  trans-139.8117.2172-178.1-179.5-177.6177.30108.6Y389Y389-K391 HydrophobicContact CE1-CB 3.64Å; Y389-K391 HydrophobicContact CE1-CD 4.47Å; Y389-K391 WeakPolarHBondContact OH-CD 3.13Å
392A84.4Confident71.3Confident39 Ų3991.3 Ų91.332%0.32249%0.487SS..  trans-145.2148.6173.400000109.7F390 Y442F390-A392 HydrophobicContact CE1-CB 4.07Å; F390-A392 HydrophobicContact CE2-CB 3.98Å; F390-A392 HydrophobicContact CZ-CB 3.49Å; F390-A392 VanDerWaalsContact CZ-CB 3.49Å; A392-Y442 HydrophobicContact CB-CD1 3.6Å; A392-Y442 HydrophobicContact CB-CE1 4.24Å; A392-Y442 HydrophobicContact CB-CG 3.98Å
393G88.4Confident74.3Confident45 Ų4591.7 Ų91.746%0.46449%0.491SS..  trans-75.6146.7169.800000110.9Y442 V443G393-Y442 WeakPolarHBondContact O-CA 3.46Å; G393-Y442 WeakPolarHBondContact O-CD1 3.35Å; G393-V443 WeakPolarHBondContact O-CG2 3.46Å; G393-V443 PolarHBondContact O-N 3.07Å
394W91Very high77.1Confident51 Ų5192.3 Ų92.319%0.19349%0.489CS..BIsolated β-bridgetrans-62.9142.5167.1-61.7115.4000110.5T396 I440 Y442 V443 M449W394-T396 WeakPolarHBondContact CB-O 3.45Å; W394-T396 PolarHBondContact O-N 2.84Å; W394-I440 HydrophobicContact CD2-CG2 4.12Å; W394-I440 HydrophobicContact CE3-CB 4.06Å; W394-I440 HydrophobicContact CE3-CG2 3.32Å; W394-I440 HydrophobicContact CH2-CB 4.31Å; W394-I440 HydrophobicContact CH2-CG2 4.29Å; W394-I440 HydrophobicContact CZ3-CB 3.61Å; W394-I440 HydrophobicContact CZ3-CG2 3.43Å; W394-I440 VanDerWaalsContact CZ3-CG2 3.43Å; W394-Y442 HydrophobicContact CD2-CD1 4.48Å; W394-Y442 HydrophobicContact CD2-CE1 4.17Å; W394-Y442 AromaticContact CE3-CD1 3.95Å; W394-Y442 HydrophobicContact CE3-CD1 3.95Å; W394-Y442 AromaticContact CE3-CE1 3.73Å; W394-Y442 HydrophobicContact CE3-CE1 3.73Å; W394-Y442 HydrophobicContact CH2-CE1 4.1Å; W394-Y442 AromaticContact CH2-CZ 3.95Å; W394-Y442 HydrophobicContact CZ2-CE1 4.46Å; W394-Y442 HydrophobicContact CZ3-CD1 4.25Å; W394-Y442 AromaticContact CZ3-CE1 3.69Å; W394-Y442 HydrophobicContact CZ3-CE1 3.69Å; W394-Y442 HydrophobicContact CZ3-CE2 4.21Å; W394-Y442 AromaticContact CZ3-CZ 3.65Å; W394-V443 WeakPolarHBondContact O-CG2 3.13Å; W394-M449 HydrophobicContact CH2-CB 3.78Å; W394-M449 HydrophobicContact CH2-CG 4.26Å; W394-M449 HydrophobicContact CH2-SD 3.6Å; W394-M449 HydrophobicContact CZ2-SD 4.31Å; W394-M449 HydrophobicContact CZ3-CB 3.84Å
395K89.8Confident80.1Confident85 Ų8594.8 Ų94.837%0.3750%0.495SS..SBendtrans-55.3-41.9170.1178.2176176.4167.60110.3S441 E445K395-S441 VanDerWaalsContact CB-O 3.31Å; K395-S441 WeakPolarHBondContact CB-O 3.41Å; K395-S441 PolarHBondContact N-O 2.5Å; K395-E445 HydrophobicContact CD-CG 4.15Å; K395-E445 WeakPolarHBondContact CE-OE1 3.48Å; K395-E445 IonicContact NZ-OE1 2.82Å; K395-E445 PolarHBondContact NZ-OE1 2.89Å; K395-E445 IonicContact NZ-OE2 3.04Å; K395-E445 PolarHBondContact NZ-OE2 3.37Å
396T89Confident82.9Confident51 Ų5192 Ų9231%0.31348%0.478SS..SBendtrans-119.8102.4172.7-48.90000109W394 M423 K425W394-T396 WeakPolarHBondContact CB-O 3.45Å; W394-T396 PolarHBondContact O-N 2.84Å; T396-M423 HydrophobicContact CG2-CE 4.25Å; T396-M423 HydrophobicContact CG2-SD 3.67Å; T396-M423 WeakPolarHBondContact O-CE 3.26Å; T396-K425 HydrophobicContact CG2-CG 4.1Å
397P90.4Very high85.6Confident88 Ų8887.9 Ų87.957%0.57146%0.458SS*.PPolyproline II helixtrans-67.6139.8-177.3-23.434.7000114M423P397-M423 WeakPolarHBondContact O-CE 3.27Å
398F90.9Very high87.9Confident45 Ų4584.2 Ų84.220%0.19743%0.428CS..PPolyproline II helixtrans-67.4133.7168.7-71.6-91.9000110.8M421 M423 I440F398-M421 HydrophobicContact CB-CB 4.32Å; F398-M421 HydrophobicContact CB-SD 4.1Å; F398-M421 HydrophobicContact CD1-CB 3.56Å; F398-M421 HydrophobicContact CD2-CE 4.46Å; F398-M421 HydrophobicContact CD2-SD 4.12Å; F398-M421 HydrophobicContact CE1-CB 3.97Å; F398-M421 HydrophobicContact CG-CB 3.93Å; F398-M421 HydrophobicContact CG-CG 4.48Å; F398-M421 HydrophobicContact CG-SD 4.03Å; F398-M423 HydrophobicContact CB-CE 4.1Å; F398-M423 HydrophobicContact CD1-CB 3.74Å; F398-M423 HydrophobicContact CD1-CE 3.65Å; F398-M423 HydrophobicContact CD2-CE 3.98Å; F398-M423 HydrophobicContact CE1-CB 3.57Å; F398-M423 HydrophobicContact CE1-CE 4.02Å; F398-M423 HydrophobicContact CE2-CE 4.31Å; F398-M423 HydrophobicContact CG-CE 3.64Å; F398-M423 HydrophobicContact CZ-CB 4.47Å; F398-M423 HydrophobicContact CZ-CE 4.33Å; F398-I440 HydrophobicContact CE2-CD1 4.13Å; F398-I440 HydrophobicContact CZ-CD1 3.96Å
399K91.1Very high89.9Confident126 Ų12682.2 Ų82.255%0.54841%0.414SS..PPolyproline II helixtrans-83.8121.2175.1-68.8-170.3178.2-167.30109.1E401 L402K399-E401 HydrophobicContact CB-CG 4.4Å; K399-E401 WeakPolarHBondContact CB-OE2 3.39Å; K399-E401 WeakPolarHBondContact CD-OE1 3.42Å; K399-E401 PolarHBondContact O-N 3.29Å; K399-L402 HydrophobicContact CB-CD1 4.12Å; K399-L402 HydrophobicContact CB-CG 4.15Å; K399-L402 PolarHBondContact O-N 3.38Å
400S88.8Confident90.9Very high101 Ų10175.5 Ų75.571%0.70639%0.392SS*.G310 helixtrans-63.2-28.9-173.2510000112.7L402 T403S400-L402 PolarHBondContact O-N 3.42Å; S400-T403 WeakPolarHBondContact O-CB 3.48Å; S400-T403 PolarHBondContact O-N 3.08Å; S400-T403 VanDerWaalsContact O-N 3.14Å
401E92.6Very high91.6Very high135 Ų13578.9 Ų78.963%0.63141%0.406SS*.G310 helixtrans-65.7-16.9175.766.2-90-155.100114K399K399-E401 HydrophobicContact CB-CG 4.4Å; K399-E401 WeakPolarHBondContact CB-OE2 3.39Å; K399-E401 WeakPolarHBondContact CD-OE1 3.42Å; K399-E401 PolarHBondContact O-N 3.29Å
402L92.9Very high91.8Very high76 Ų7678 Ų7840%0.39841%0.405SS..G310 helixtrans-92.2-12176.1-59.7-179000112.8K399 S400 Q422K399-L402 HydrophobicContact CB-CD1 4.12Å; K399-L402 HydrophobicContact CB-CG 4.15Å; K399-L402 PolarHBondContact O-N 3.38Å; S400-L402 PolarHBondContact O-N 3.42Å; L402-Q422 HydrophobicContact CB-CB 4.34Å; L402-Q422 WeakPolarHBondContact O-CB 3.37Å; L402-Q422 WeakPolarHBondContact O-CG 3.22Å
403T95.3Very high92.2Very high44 Ų4480.5 Ų80.527%0.2744%0.435SS..  trans-68.5131.2178.6-61.30000110.4S400 E419 M420S400-T403 WeakPolarHBondContact O-CB 3.48Å; S400-T403 PolarHBondContact O-N 3.08Å; S400-T403 VanDerWaalsContact O-N 3.14Å; T403-E419 HydrophobicContact CG2-CB 3.92Å; T403-M420 WeakPolarHBondContact CA-O 3.49Å
404K94.5Very high92.4Very high118 Ų11882.5 Ų82.551%0.51343%0.432SS..EExtended strand (participates in β ladder)trans-132.6145-178.5-63.8179.1-174.11690111.9T406 M420K404-T406 PolarHBondContact O-N 3.45Å; K404-T406 PolarHBondContact O-OG1 2.98Å; K404-M420 PolarHBondContact N-O 3.3Å; K404-M420 PolarHBondContact O-N 2.95Å
405K96.1Very high92.6Very high160 Ų16086 Ų8670%0.69645%0.451SS*.EExtended strand (participates in β ladder)trans-64122.4169.3-71.9-173.9179.5-178.10109.6T417 V418 E419K405-T417 HydrophobicContact CB-CG2 3.83Å; K405-T417 HydrophobicContact CD-CG2 4.21Å; K405-T417 HydrophobicContact CG-CG2 4.18Å; K405-V418 CarbonylContact C-O 3.49Å; K405-V418 WeakPolarHBondContact CA-O 3.3Å; K405-E419 HydrophobicContact CG-CG 4.37Å
406T94.9Very high92.9Very high39 Ų3985.9 Ų85.924%0.23945%0.45CS..EExtended strand (participates in β ladder)trans-134.8147.5-176-520000108.9K404 V418 M420K404-T406 PolarHBondContact O-N 3.45Å; K404-T406 PolarHBondContact O-OG1 2.98Å; T406-V418 PolarHBondContact N-O 3.42Å; T406-V418 PolarHBondContact O-N 2.68Å; T406-M420 HydrophobicContact CG2-CE 3.97Å; T406-M420 HydrophobicContact CG2-SD 4.08Å
407T96.7Very high93.3Very high47 Ų4788.3 Ų88.329%0.28847%0.465SS..EExtended strand (participates in β ladder)trans-71.3132.8173.9-53.80000110.1Y409 E415T407-Y409 HydrophobicContact CG2-CD1 4.27Å; T407-Y409 HydrophobicContact CG2-CE1 3.85Å; T407-Y409 HydrophobicContact CG2-CE2 4.37Å; T407-E415 HydrophobicContact CG2-CB 3.78Å; T407-E415 HydrophobicContact CG2-CG 4.18Å
408F97.3Very high93.5Very high2 Ų285.2 Ų85.21%0.00945%0.445CS..EExtended strand (participates in β ladder)trans-113.2123.5170.5-175.1-84.6000109.3V410 E415 K416 V418 D553 P555 F556 Y574F408-V410 HydrophobicContact CD1-CG2 3.93Å; F408-V410 HydrophobicContact CE1-CG2 4.28Å; F408-V410 PolarHBondContact O-N 3.02Å; F408-E415 CarbonylContact O-C 3.58Å; F408-E415 VanDerWaalsContact O-CA 3.29Å; F408-E415 WeakPolarHBondContact O-CA 3.36Å; F408-K416 HydrophobicContact CB-CG 4.01Å; F408-K416 HydrophobicContact CD1-CD 4.44Å; F408-K416 VanDerWaalsContact CD1-CE 3.44Å; F408-K416 HydrophobicContact CD1-CG 4.23Å; F408-K416 PolarHBondContact N-O 2.79Å; F408-K416 PolarHBondContact O-N 2.89Å; F408-V418 HydrophobicContact CB-CB 4.43Å; F408-V418 HydrophobicContact CB-CG1 3.72Å; F408-V418 HydrophobicContact CB-CG2 3.84Å; F408-V418 HydrophobicContact CG-CG1 4.31Å; F408-D553 CarbonylContact C-O 3.57Å; F408-D553 VanDerWaalsContact CA-O 3.27Å; F408-D553 WeakPolarHBondContact CA-O 3.17Å; F408-P555 HydrophobicContact CE1-CG 4.33Å; F408-P555 HydrophobicContact CZ-CG 4.38Å; F408-F556 HydrophobicContact CE2-CD1 4.33Å; F408-F556 HydrophobicContact CE2-CE1 4.1Å; F408-Y574 HydrophobicContact CD2-CE1 4.27Å; F408-Y574 HydrophobicContact CE1-CE1 4.43Å; F408-Y574 AromaticContact CE2-CD1 3.78Å; F408-Y574 HydrophobicContact CE2-CD1 3.78Å; F408-Y574 AromaticContact CE2-CE1 3.8Å; F408-Y574 HydrophobicContact CE2-CE1 3.8Å; F408-Y574 AromaticContact CZ-CD1 3.67Å; F408-Y574 HydrophobicContact CZ-CD1 3.67Å; F408-Y574 AromaticContact CZ-CE1 3.87Å; F408-Y574 HydrophobicContact CZ-CE1 3.87Å
409Y96.5Very high93.7Very high61 Ų6190.2 Ų90.224%0.23947%0.468CS..EExtended strand (participates in β ladder)trans-91.695.2-175.1-59.2-79.7000110.5T407 E415 R457 D553 P555T407-Y409 HydrophobicContact CG2-CD1 4.27Å; T407-Y409 HydrophobicContact CG2-CE1 3.85Å; T407-Y409 HydrophobicContact CG2-CE2 4.37Å; Y409-E415 HydrophobicContact CD1-CB 4.24Å; Y409-E415 WeakPolarHBondContact CE1-OE2 3.35Å; Y409-R457 HydrophobicContact CD2-CG 4.25Å; Y409-R457 VanDerWaalsContact CE2-CZ 3.43Å; Y409-R457 HydrophobicContact CG-CG 4.26Å; Y409-D553 WeakPolarHBondContact CD2-O 3.39Å; Y409-D553 PolarHBondContact N-O 2.92Å; Y409-P555 WeakPolarHBondContact O-CD 3.39Å
410V90.8Very high93.9Very high45 Ų4585.6 Ų85.627%0.27345%0.449SS..EExtended strand (participates in β ladder)trans-67.4-48.3-174.2-177.50000111.3F408 E414 K416 P555F408-V410 HydrophobicContact CD1-CG2 3.93Å; F408-V410 HydrophobicContact CE1-CG2 4.28Å; F408-V410 PolarHBondContact O-N 3.02Å; V410-E414 HydrophobicContact CB-CB 4.42Å; V410-E414 HydrophobicContact CB-CG 4.14Å; V410-E414 PolarHBondContact N-O 3.08Å; V410-K416 HydrophobicContact CG2-CD 3.92Å; V410-K416 HydrophobicContact CG2-CG 3.88Å; V410-P555 WeakPolarHBondContact O-CG 3.44Å
411K89Confident94.2Very high126 Ų12685.7 Ų85.755%0.54844%0.44SS..EExtended strand (participates in β ladder)trans-158.3174.7173.960.8176.6-165.9-1140109.7G413 E414 F458K411-G413 PolarHBondContact O-N 2.88Å; K411-G413 VanDerWaalsContact O-N 3.1Å; K411-E414 WeakPolarHBondContact CE-OE2 3.28Å; K411-E414 HydrophobicContact CG-CB 3.67Å; K411-E414 WeakPolarHBondContact CG-OE2 3.46Å; K411-E414 PolarHBondContact N-O 3.23Å; K411-E414 IonicContact NZ-OE2 3.74Å; K411-E414 PolarHBondContact NZ-OE2 3.28Å; K411-E414 PolarHBondContact O-N 3.26Å; K411-F458 VanDerWaalsContact C-CE1 3.47Å
412Q88Confident94.1Very high154 Ų15482.6 Ų82.672%0.7243%0.425SS*.THydrogen-bonded Turntrans-55.7121.4175.5-77-176.9-11.100110.6E414 F458Q412-E414 VanDerWaalsContact C-N 3.34Å; Q412-F458 HydrophobicContact CG-CD1 4.03Å; Q412-F458 HydrophobicContact CG-CD2 3.7Å; Q412-F458 HydrophobicContact CG-CE1 4.01Å; Q412-F458 HydrophobicContact CG-CE2 3.67Å; Q412-F458 HydrophobicContact CG-CG 3.88Å; Q412-F458 HydrophobicContact CG-CZ 3.83Å
413G91.3Very high93.8Very high92 Ų9280.7 Ų80.795%0.94842%0.415SS*.THydrogen-bonded Turntrans81.92.5-17800000115.5K411K411-G413 PolarHBondContact O-N 2.88Å; K411-G413 VanDerWaalsContact O-N 3.1Å
414E93.8Very high93.2Very high86 Ų8685 Ų8540%0.40244%0.436SS..EExtended strand (participates in β ladder)trans-131.5120.2178.4-171.6-177.6168.100110.9V410 K411 Q412V410-E414 HydrophobicContact CB-CB 4.42Å; V410-E414 HydrophobicContact CB-CG 4.14Å; V410-E414 PolarHBondContact N-O 3.08Å; K411-E414 WeakPolarHBondContact CE-OE2 3.28Å; K411-E414 HydrophobicContact CG-CB 3.67Å; K411-E414 WeakPolarHBondContact CG-OE2 3.46Å; K411-E414 PolarHBondContact N-O 3.23Å; K411-E414 IonicContact NZ-OE2 3.74Å; K411-E414 PolarHBondContact NZ-OE2 3.28Å; K411-E414 PolarHBondContact O-N 3.26Å; Q412-E414 VanDerWaalsContact C-N 3.34Å
415E95.4Very high92.6Very high126 Ų12683.7 Ų83.759%0.58943%0.431SS*.EExtended strand (participates in β ladder)trans-133.4154.8177.161.8-179-146.800110.7T407 F408 Y409T407-E415 HydrophobicContact CG2-CB 3.78Å; T407-E415 HydrophobicContact CG2-CG 4.18Å; F408-E415 CarbonylContact O-C 3.58Å; F408-E415 VanDerWaalsContact O-CA 3.29Å; F408-E415 WeakPolarHBondContact O-CA 3.36Å; Y409-E415 HydrophobicContact CD1-CB 4.24Å; Y409-E415 WeakPolarHBondContact CE1-OE2 3.35Å
416K95.1Very high91.7Very high82 Ų8282 Ų8236%0.35743%0.425SS..EExtended strand (participates in β ladder)trans-135.6153.6175.464.8-179.6178.8-178.20109.7F408 V410 V418F408-K416 HydrophobicContact CB-CG 4.01Å; F408-K416 HydrophobicContact CD1-CD 4.44Å; F408-K416 VanDerWaalsContact CD1-CE 3.44Å; F408-K416 HydrophobicContact CD1-CG 4.23Å; F408-K416 PolarHBondContact N-O 2.79Å; F408-K416 PolarHBondContact O-N 2.89Å; V410-K416 HydrophobicContact CG2-CD 3.92Å; V410-K416 HydrophobicContact CG2-CG 3.88Å; K416-V418 HydrophobicContact CD-CG1 4.21Å; K416-V418 HydrophobicContact CG-CG1 4.03Å
417T97.1Very high91.2Very high102 Ų10281.8 Ų81.863%0.62642%0.421SS*.EExtended strand (participates in β ladder)trans-85.6131.2170.3-58.90000109.6K405K405-T417 HydrophobicContact CB-CG2 3.83Å; K405-T417 HydrophobicContact CD-CG2 4.21Å; K405-T417 HydrophobicContact CG-CG2 4.18Å
418V95.4Very high90.7Very high23 Ų2379.7 Ų79.714%0.13941%0.408CS..EExtended strand (participates in β ladder)trans-125.5154.5175.4-58.70000110.8K405 T406 F408 K416 M420K405-V418 CarbonylContact C-O 3.49Å; K405-V418 WeakPolarHBondContact CA-O 3.3Å; T406-V418 PolarHBondContact N-O 3.42Å; T406-V418 PolarHBondContact O-N 2.68Å; F408-V418 HydrophobicContact CB-CB 4.43Å; F408-V418 HydrophobicContact CB-CG1 3.72Å; F408-V418 HydrophobicContact CB-CG2 3.84Å; F408-V418 HydrophobicContact CG-CG1 4.31Å; K416-V418 HydrophobicContact CD-CG1 4.21Å; K416-V418 HydrophobicContact CG-CG1 4.03Å; V418-M420 HydrophobicContact CG2-CE 4.48Å; V418-M420 PolarHBondContact O-N 3.45Å
419E95.6Very high90.2Very high149 Ų14981.3 Ų81.370%0.69642%0.415SS*.EExtended strand (participates in β ladder)trans-84.1110169-65.5-172.8145.900109.1T403 K405T403-E419 HydrophobicContact CG2-CB 3.92Å; K405-E419 HydrophobicContact CG-CG 4.37Å
420M95.4Very high89.8Confident29 Ų2979 Ų7914%0.14341%0.408CS..EExtended strand (participates in β ladder)trans-100.5119.9-176.3-170.7171.3-72.700109.9T403 K404 T406 V418 T551 A552 D553T403-M420 WeakPolarHBondContact CA-O 3.49Å; K404-M420 PolarHBondContact N-O 3.3Å; K404-M420 PolarHBondContact O-N 2.95Å; T406-M420 HydrophobicContact CG2-CE 3.97Å; T406-M420 HydrophobicContact CG2-SD 4.08Å; V418-M420 HydrophobicContact CG2-CE 4.48Å; V418-M420 PolarHBondContact O-N 3.45Å; M420-T551 HydrophobicContact CE-CG2 4.45Å; M420-T551 HydrophobicContact SD-CG2 3.99Å; M420-A552 WeakPolarHBondContact CE-O 3.26Å; M420-D553 HydrophobicContact CE-CB 4.07Å
421M93.9Very high89.6Confident104 Ų10482 Ų8251%0.51242%0.419SS..  trans-70.4137.5173.5-60.7-177.7-69.100109.8F398F398-M421 HydrophobicContact CB-CB 4.32Å; F398-M421 HydrophobicContact CB-SD 4.1Å; F398-M421 HydrophobicContact CD1-CB 3.56Å; F398-M421 HydrophobicContact CD2-CE 4.46Å; F398-M421 HydrophobicContact CD2-SD 4.12Å; F398-M421 HydrophobicContact CE1-CB 3.97Å; F398-M421 HydrophobicContact CG-CB 3.93Å; F398-M421 HydrophobicContact CG-CG 4.48Å; F398-M421 HydrophobicContact CG-SD 4.03Å
422Q91.1Very high89.5Confident69 Ų6978.5 Ų78.532%0.32241%0.407SS..  trans-126138.4-178-55.3-173.83.100110.1L402L402-Q422 HydrophobicContact CB-CB 4.34Å; L402-Q422 WeakPolarHBondContact O-CB 3.37Å; L402-Q422 WeakPolarHBondContact O-CG 3.22Å
423M85.7Confident89.4Confident36 Ų3679 Ų7918%0.17742%0.415CS..  trans-158135.5175.3-173.9-176.7-53.100110.4T396 P397 F398 K425 F427T396-M423 HydrophobicContact CG2-CE 4.25Å; T396-M423 HydrophobicContact CG2-SD 3.67Å; T396-M423 WeakPolarHBondContact O-CE 3.26Å; P397-M423 WeakPolarHBondContact O-CE 3.27Å; F398-M423 HydrophobicContact CB-CE 4.1Å; F398-M423 HydrophobicContact CD1-CB 3.74Å; F398-M423 HydrophobicContact CD1-CE 3.65Å; F398-M423 HydrophobicContact CD2-CE 3.98Å; F398-M423 HydrophobicContact CE1-CB 3.57Å; F398-M423 HydrophobicContact CE1-CE 4.02Å; F398-M423 HydrophobicContact CE2-CE 4.31Å; F398-M423 HydrophobicContact CG-CE 3.64Å; F398-M423 HydrophobicContact CZ-CB 4.47Å; F398-M423 HydrophobicContact CZ-CE 4.33Å; M423-K425 HydrophobicContact CG-CB 3.96Å; M423-K425 HydrophobicContact CG-CG 3.58Å; M423-K425 HydrophobicContact SD-CB 3.74Å; M423-K425 HydrophobicContact SD-CG 3.41Å; M423-K425 WeakPolarHBondContact SD-CG 3.38Å; M423-F427 HydrophobicContact CB-CZ 4.42Å; M423-F427 HydrophobicContact CG-CZ 4.24Å; M423-F427 HydrophobicContact SD-CE1 4.37Å; M423-F427 HydrophobicContact SD-CE2 4.31Å; M423-F427 HydrophobicContact SD-CZ 3.53Å; M423-F427 VanDerWaalsContact SD-CZ 3.53Å
424D83Confident89.4Confident135 Ų13578.6 Ų78.672%0.72239%0.388SS*.  trans-10395.3170.2-63.2-27.5000108.7
425K81.5Confident89.5Confident91 Ų9174.7 Ų74.740%0.39637%0.37SS..SBendtrans-148.2168179.9-76.5-62.2-177.9-179.80111.4T396 M423 F427T396-K425 HydrophobicContact CG2-CG 4.1Å; M423-K425 HydrophobicContact CG-CB 3.96Å; M423-K425 HydrophobicContact CG-CG 3.58Å; M423-K425 HydrophobicContact SD-CB 3.74Å; M423-K425 HydrophobicContact SD-CG 3.41Å; M423-K425 WeakPolarHBondContact SD-CG 3.38Å; K425-F427 HydrophobicContact CB-CD2 4.47Å; K425-F427 HydrophobicContact CB-CE2 3.84Å; K425-F427 HydrophobicContact CB-CZ 3.96Å; K425-F427 VanDerWaalsContact O-CD2 3.26Å; K425-F427 WeakPolarHBondContact O-CD2 3.2Å
426E77.7Confident89.4Confident123 Ų12370.1 Ų70.158%0.57535%0.349SS*.  trans-74.4129.1171.9-62.3179.817100109.5A530E426-A530 HydrophobicContact CG-CB 3.84Å
427F84.7Confident89.4Confident36 Ų3666.2 Ų66.216%0.15833%0.332CS..  trans-137.9161.4178.2-65.2-71000109.6M423 K425 Y429 L438 I440M423-F427 HydrophobicContact CB-CZ 4.42Å; M423-F427 HydrophobicContact CG-CZ 4.24Å; M423-F427 HydrophobicContact SD-CE1 4.37Å; M423-F427 HydrophobicContact SD-CE2 4.31Å; M423-F427 HydrophobicContact SD-CZ 3.53Å; M423-F427 VanDerWaalsContact SD-CZ 3.53Å; K425-F427 HydrophobicContact CB-CD2 4.47Å; K425-F427 HydrophobicContact CB-CE2 3.84Å; K425-F427 HydrophobicContact CB-CZ 3.96Å; K425-F427 VanDerWaalsContact O-CD2 3.26Å; K425-F427 WeakPolarHBondContact O-CD2 3.2Å; F427-Y429 PolarHBondContact O-N 3.36Å; F427-L438 HydrophobicContact CB-CD1 3.56Å; F427-L438 HydrophobicContact CD2-CD1 4.34Å; F427-L438 HydrophobicContact CG-CD1 4.09Å; F427-I440 HydrophobicContact CD1-CB 4.49Å; F427-I440 HydrophobicContact CD1-CG1 4.13Å; F427-I440 HydrophobicContact CD1-CG2 4.2Å; F427-I440 HydrophobicContact CE1-CG1 4.29Å; F427-I440 HydrophobicContact CE1-CG2 3.91Å
428A86.3Confident89.2Confident3 Ų362.4 Ų62.43%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-66.2122.4168.700000108.5L438 G439 A479 E481A428-L438 CarbonylContact O-C 3.51Å; A428-G439 PolarHBondContact N-O 3.2Å; A428-G439 PolarHBondContact O-N 2.99Å; A428-A479 HydrophobicContact CB-CB 4.41Å; A428-E481 HydrophobicContact CB-CG 4.31Å
429Y88Confident89.1Confident36 Ų3661.3 Ų61.314%0.14130%0.301CS..EExtended strand (participates in β ladder)trans-142.3141.8-175.1-178.6-95.7000111.2F427 E431 Q436 I437 L438 T480 P548 F550F427-Y429 PolarHBondContact O-N 3.36Å; Y429-E431 HydrophobicContact CE1-CB 4.28Å; Y429-E431 HydrophobicContact CE1-CG 4.24Å; Y429-Q436 HydrophobicContact CE2-CB 4.35Å; Y429-Q436 PolarHBondContact OH-NE2 3.17Å; Y429-I437 WeakPolarHBondContact CA-O 3.28Å; Y429-I437 WeakPolarHBondContact CD2-O 3.14Å; Y429-L438 HydrophobicContact CD2-CD1 4.4Å; Y429-T480 PolarHBondContact N-O 2.96Å; Y429-P548 HydrophobicContact CD1-CB 4.13Å; Y429-P548 HydrophobicContact CD1-CG 3.8Å; Y429-P548 HydrophobicContact CE1-CB 3.54Å; Y429-P548 HydrophobicContact CE1-CG 3.75Å; Y429-P548 HydrophobicContact CE2-CB 4.5Å; Y429-P548 HydrophobicContact CG-CG 4.41Å; Y429-F550 HydrophobicContact CE2-CB 4.31Å; Y429-F550 HydrophobicContact CE2-CD2 4.11Å
430S86.7Confident89Confident13 Ų1354.6 Ų54.69%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-147.3163.9164.966.20000110.3I437 S478S430-I437 PolarHBondContact N-O 3.15Å; S430-I437 PolarHBondContact O-N 3.02Å; S430-I437 WeakPolarHBondContact OG-CB 3.35Å; S430-S478 WeakPolarHBondContact CB-O 3.34Å; S430-S478 WeakPolarHBondContact CB-OG 3.22Å; S430-S478 PolarHBondContact OG-OG 2.82Å
431E87.1Confident88.8Confident108 Ų10853.7 Ų53.751%0.50527%0.267SS..EExtended strand (participates in β ladder)trans-142.3152.4171.658.8173.9175.600110.7Y429 L435 Q436 K455Y429-E431 HydrophobicContact CE1-CB 4.28Å; Y429-E431 HydrophobicContact CE1-CG 4.24Å; E431-L435 CarbonylContact C-O 3.59Å; E431-L435 WeakPolarHBondContact CA-O 3.41Å; E431-Q436 HydrophobicContact CB-CG 4.45Å; E431-K455 VanDerWaalsContact OE2-CE 3.31Å; E431-K455 WeakPolarHBondContact OE2-CE 3.35Å; E431-K455 IonicContact OE2-NZ 2.77Å; E431-K455 PolarHBondContact OE2-NZ 3.03Å
432T87.7Confident88.7Confident51 Ų5149.4 Ų49.431%0.31325%0.245SC..  trans-117.3-177.3170.163.50000108.4E434 L435 I437 K455 L475T432-E434 PolarHBondContact O-N 2.84Å; T432-E434 PolarHBondContact OG1-N 2.83Å; T432-L435 PolarHBondContact N-O 2.85Å; T432-L435 WeakPolarHBondContact OG1-CB 3.46Å; T432-L435 PolarHBondContact OG1-N 3.01Å; T432-L435 PolarHBondContact OG1-O 3.23Å; T432-I437 HydrophobicContact CG2-CD1 4.47Å; T432-K455 WeakPolarHBondContact O-CE 3.28Å; T432-K455 PolarHBondContact O-NZ 3.31Å; T432-L475 HydrophobicContact CG2-CD2 4.13Å
433D85.9Confident88.5Confident164 Ų16450.7 Ų50.788%0.87726%0.257SS*.SBendtrans-61.3-28.3174.4-62.8-28.6000112.5
434E91.4Very high88.1Confident84 Ų8452.8 Ų52.839%0.39327%0.272SS..SBendtrans-111.7-24.3-173-62.8-177-175.500113.9T432 K455 K466T432-E434 PolarHBondContact O-N 2.84Å; T432-E434 PolarHBondContact OG1-N 2.83Å; E434-K455 PolarHBondContact O-N 2.91Å; E434-K466 IonicContact OE1-NZ 2.68Å; E434-K466 PolarHBondContact OE1-NZ 2.93Å; E434-K466 IonicContact OE2-NZ 2.74Å; E434-K466 PolarHBondContact OE2-NZ 2.75Å
435L94.2Very high87.9Confident4 Ų451.3 Ų51.32%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-132.2147.9-167.7-53176.2000112E431 T432 I437 V452 L453 P454 M463 L475E431-L435 CarbonylContact C-O 3.59Å; E431-L435 WeakPolarHBondContact CA-O 3.41Å; T432-L435 PolarHBondContact N-O 2.85Å; T432-L435 WeakPolarHBondContact OG1-CB 3.46Å; T432-L435 PolarHBondContact OG1-N 3.01Å; T432-L435 PolarHBondContact OG1-O 3.23Å; L435-I437 HydrophobicContact CB-CD1 4.2Å; L435-V452 HydrophobicContact CB-CG1 4.46Å; L435-V452 HydrophobicContact CD1-CG1 3.95Å; L435-L453 CarbonylContact C-O 3.56Å; L435-L453 WeakPolarHBondContact CA-O 3.26Å; L435-P454 HydrophobicContact CD2-CB 4.44Å; L435-M463 HydrophobicContact CD1-CG 4.35Å; L435-M463 HydrophobicContact CD2-CB 4.06Å; L435-M463 HydrophobicContact CD2-CG 3.67Å; L435-M463 HydrophobicContact CD2-SD 3.6Å; L435-M463 VanDerWaalsContact CD2-SD 3.6Å; L435-L475 HydrophobicContact CD1-CD1 3.96Å; L435-L475 HydrophobicContact CD1-CD2 4.41Å
436Q94.1Very high87.9Confident30 Ų3053.3 Ų53.314%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-108140.6161.8-59.9-176.4-61.900109.4Y429 E431 L453 K455 K549 F550Y429-Q436 HydrophobicContact CE2-CB 4.35Å; Y429-Q436 PolarHBondContact OH-NE2 3.17Å; E431-Q436 HydrophobicContact CB-CG 4.45Å; Q436-L453 PolarHBondContact N-O 2.91Å; Q436-L453 PolarHBondContact O-N 2.89Å; Q436-K455 HydrophobicContact CG-CG 3.95Å; Q436-K549 PolarHBondContact NE2-O 2.94Å; Q436-K549 VanDerWaalsContact NE2-O 3.11Å; Q436-F550 HydrophobicContact CB-CD2 3.77Å; Q436-F550 HydrophobicContact CB-CE2 3.83Å
437I94Very high88.5Confident0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-125.4123.4-178.8-51.576.3000108Y429 S430 T432 L435 Y450 F451 L475 A479Y429-I437 WeakPolarHBondContact CA-O 3.28Å; Y429-I437 WeakPolarHBondContact CD2-O 3.14Å; S430-I437 PolarHBondContact N-O 3.15Å; S430-I437 PolarHBondContact O-N 3.02Å; S430-I437 WeakPolarHBondContact OG-CB 3.35Å; T432-I437 HydrophobicContact CG2-CD1 4.47Å; L435-I437 HydrophobicContact CB-CD1 4.2Å; I437-Y450 HydrophobicContact CG2-CD1 4.26Å; I437-F451 VanDerWaalsContact CA-O 3.31Å; I437-F451 WeakPolarHBondContact CA-O 3.5Å; I437-L475 HydrophobicContact CD1-CD2 3.93Å; I437-L475 HydrophobicContact CG1-CB 4.23Å; I437-L475 HydrophobicContact CG1-CD2 4.11Å; I437-A479 HydrophobicContact CB-CB 4.43Å; I437-A479 HydrophobicContact CG2-CB 3.91Å
438L94.4Very high88.9Confident22 Ų2247.1 Ų47.112%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-120.9129.1176.5177.470.1000109.4F427 A428 Y429 I440 Y450 F451 F550F427-L438 HydrophobicContact CB-CD1 3.56Å; F427-L438 HydrophobicContact CD2-CD1 4.34Å; F427-L438 HydrophobicContact CG-CD1 4.09Å; A428-L438 CarbonylContact O-C 3.51Å; Y429-L438 HydrophobicContact CD2-CD1 4.4Å; L438-I440 HydrophobicContact CD2-CD1 4.08Å; L438-I440 HydrophobicContact CD2-CG1 4.16Å; L438-I440 HydrophobicContact CG-CG1 4.13Å; L438-Y450 CarbonylContact O-C 3.54Å; L438-Y450 VanDerWaalsContact O-CA 3.24Å; L438-Y450 WeakPolarHBondContact O-CA 3.48Å; L438-F451 HydrophobicContact CB-CB 4.38Å; L438-F451 HydrophobicContact CD2-CD2 4.49Å; L438-F451 PolarHBondContact N-O 2.93Å; L438-F451 PolarHBondContact O-N 3.07Å; L438-F550 HydrophobicContact CB-CD1 4.14Å; L438-F550 HydrophobicContact CB-CD2 3.88Å; L438-F550 HydrophobicContact CB-CE1 4.1Å; L438-F550 HydrophobicContact CB-CE2 3.84Å; L438-F550 HydrophobicContact CB-CG 4.02Å; L438-F550 HydrophobicContact CB-CZ 3.95Å; L438-F550 HydrophobicContact CD2-CB 4.43Å; L438-F550 HydrophobicContact CD2-CD1 3.55Å; L438-F550 HydrophobicContact CD2-CE1 3.87Å; L438-F550 HydrophobicContact CD2-CG 3.98Å; L438-F550 HydrophobicContact CG-CD1 4.46Å
439G92.8Very high89.3Confident0 Ų048.2 Ų48.20%025%0.247CC..EExtended strand (participates in β ladder)trans-113.6124172.500000111.1A428 M449A428-G439 PolarHBondContact N-O 3.2Å; A428-G439 PolarHBondContact O-N 2.99Å; G439-M449 WeakPolarHBondContact CA-O 3.46Å
440I93.1Very high89.6Confident8 Ų846.6 Ų46.64%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-113.7120.2177.3-50.8-177.8000109.1W394 F398 F427 L438 L448 M449 F451W394-I440 HydrophobicContact CD2-CG2 4.12Å; W394-I440 HydrophobicContact CE3-CB 4.06Å; W394-I440 HydrophobicContact CE3-CG2 3.32Å; W394-I440 HydrophobicContact CH2-CB 4.31Å; W394-I440 HydrophobicContact CH2-CG2 4.29Å; W394-I440 HydrophobicContact CZ3-CB 3.61Å; W394-I440 HydrophobicContact CZ3-CG2 3.43Å; W394-I440 VanDerWaalsContact CZ3-CG2 3.43Å; F398-I440 HydrophobicContact CE2-CD1 4.13Å; F398-I440 HydrophobicContact CZ-CD1 3.96Å; F427-I440 HydrophobicContact CD1-CB 4.49Å; F427-I440 HydrophobicContact CD1-CG1 4.13Å; F427-I440 HydrophobicContact CD1-CG2 4.2Å; F427-I440 HydrophobicContact CE1-CG1 4.29Å; F427-I440 HydrophobicContact CE1-CG2 3.91Å; L438-I440 HydrophobicContact CD2-CD1 4.08Å; L438-I440 HydrophobicContact CD2-CG1 4.16Å; L438-I440 HydrophobicContact CG-CG1 4.13Å; I440-L448 WeakPolarHBondContact O-CA 3.43Å; I440-M449 PolarHBondContact N-O 3.39Å; I440-M449 PolarHBondContact O-N 3.34Å; I440-F451 HydrophobicContact CD1-CD2 4.48Å; I440-F451 HydrophobicContact CD1-CE2 3.84Å; I440-F451 HydrophobicContact CG1-CE2 4.2Å
441S91.7Very high90.1Very high11 Ų1147.3 Ų47.38%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-75.7139-178.7-62.10000112.4K395K395-S441 VanDerWaalsContact CB-O 3.31Å; K395-S441 WeakPolarHBondContact CB-O 3.41Å; K395-S441 PolarHBondContact N-O 2.5Å
442Y92Very high90.5Very high13 Ų1342.2 Ų42.25%0.05122%0.218CC..BIsolated β-bridgetrans-82166.9163.3-66.8-76.8000110.8F390 A392 G393 W394 T444 E445 L447 M449 I560F390-Y442 HydrophobicContact CE1-CD1 4.33Å; F390-Y442 HydrophobicContact CE1-CD2 4.41Å; F390-Y442 AromaticContact CE1-CE1 3.73Å; F390-Y442 HydrophobicContact CE1-CE1 3.73Å; F390-Y442 AromaticContact CE1-CE2 3.8Å; F390-Y442 HydrophobicContact CE1-CE2 3.8Å; F390-Y442 AromaticContact CE1-CZ 3.43Å; F390-Y442 VanDerWaalsContact CE1-CZ 3.43Å; F390-Y442 HydrophobicContact CZ-CD1 4.13Å; F390-Y442 AromaticContact CZ-CD2 3.85Å; F390-Y442 HydrophobicContact CZ-CD2 3.85Å; F390-Y442 AromaticContact CZ-CE1 3.97Å; F390-Y442 HydrophobicContact CZ-CE1 3.97Å; F390-Y442 AromaticContact CZ-CE2 3.66Å; F390-Y442 HydrophobicContact CZ-CE2 3.66Å; F390-Y442 HydrophobicContact CZ-CG 4.09Å; F390-Y442 AromaticContact CZ-CZ 3.74Å; A392-Y442 HydrophobicContact CB-CD1 3.6Å; A392-Y442 HydrophobicContact CB-CE1 4.24Å; A392-Y442 HydrophobicContact CB-CG 3.98Å; G393-Y442 WeakPolarHBondContact O-CA 3.46Å; G393-Y442 WeakPolarHBondContact O-CD1 3.35Å; W394-Y442 HydrophobicContact CD2-CD1 4.48Å; W394-Y442 HydrophobicContact CD2-CE1 4.17Å; W394-Y442 AromaticContact CE3-CD1 3.95Å; W394-Y442 HydrophobicContact CE3-CD1 3.95Å; W394-Y442 AromaticContact CE3-CE1 3.73Å; W394-Y442 HydrophobicContact CE3-CE1 3.73Å; W394-Y442 HydrophobicContact CH2-CE1 4.1Å; W394-Y442 AromaticContact CH2-CZ 3.95Å; W394-Y442 HydrophobicContact CZ2-CE1 4.46Å; W394-Y442 HydrophobicContact CZ3-CD1 4.25Å; W394-Y442 AromaticContact CZ3-CE1 3.69Å; W394-Y442 HydrophobicContact CZ3-CE1 3.69Å; W394-Y442 HydrophobicContact CZ3-CE2 4.21Å; W394-Y442 AromaticContact CZ3-CZ 3.65Å; Y442-T444 PolarHBondContact O-N 3.1Å; Y442-E445 PolarHBondContact O-N 3.27Å; Y442-L447 HydrophobicContact CD2-CB 3.81Å; Y442-L447 WeakPolarHBondContact CD2-O 3.23Å; Y442-L447 HydrophobicContact CG-CB 4.46Å; Y442-L447 PolarHBondContact N-O 3.36Å; Y442-M449 HydrophobicContact CE2-CB 3.87Å; Y442-I560 HydrophobicContact CE2-CG2 4.13Å
443V86.7Confident91Very high97 Ų9739.8 Ų39.859%0.58820%0.204SC*.THydrogen-bonded Turntrans-53.1-28.6-178.7171.40000113.4G393 W394 E445G393-V443 WeakPolarHBondContact O-CG2 3.46Å; G393-V443 PolarHBondContact O-N 3.07Å; W394-V443 WeakPolarHBondContact O-CG2 3.13Å; V443-E445 PolarHBondContact O-N 3.03Å
444T78.2Confident91.5Very high80 Ų8032.1 Ų32.149%0.49116%0.163SC..THydrogen-bonded Turntrans-73.6-13.6178.960.50000113.9Y442 K446Y442-T444 PolarHBondContact O-N 3.1Å; T444-K446 PolarHBondContact O-N 3.28Å
445E78.1Confident91.6Very high103 Ų10332.3 Ų32.348%0.48116%0.162SC..SBendtrans59.2-15-174.1-48.7-156.2178.800116.3K395 Y442 V443K395-E445 HydrophobicContact CD-CG 4.15Å; K395-E445 WeakPolarHBondContact CE-OE1 3.48Å; K395-E445 IonicContact NZ-OE1 2.82Å; K395-E445 PolarHBondContact NZ-OE1 2.89Å; K395-E445 IonicContact NZ-OE2 3.04Å; K395-E445 PolarHBondContact NZ-OE2 3.37Å; Y442-E445 PolarHBondContact O-N 3.27Å; V443-E445 PolarHBondContact O-N 3.03Å
446K82Confident91.6Very high133 Ų13338.8 Ų38.858%0.57819%0.192SC*.SBendtrans-78.3-29.6173.1-64.1-178.3176.6-176.20112.5T444 R563T444-K446 PolarHBondContact O-N 3.28Å; K446-R563 PolarHBondContact O-N 3.41Å
447L89.1Confident91.5Very high28 Ų2842.4 Ų42.415%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-103.3127.2-178.3-60.4-179.2000110F390 Y442 V561 D562 L569F390-L447 HydrophobicContact CE2-CD1 3.61Å; F390-L447 HydrophobicContact CZ-CD1 4.22Å; Y442-L447 HydrophobicContact CD2-CB 3.81Å; Y442-L447 WeakPolarHBondContact CD2-O 3.23Å; Y442-L447 HydrophobicContact CG-CB 4.46Å; Y442-L447 PolarHBondContact N-O 3.36Å; L447-V561 WeakPolarHBondContact CA-O 3.3Å; L447-D562 HydrophobicContact CD2-CB 3.74Å; L447-L569 HydrophobicContact CD2-CD1 3.68Å
448L92.5Very high91.3Very high1 Ų147 Ų471%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-123.2140174.5-78.675.2000109.5I440 Y450 I560 V561 R563I440-L448 WeakPolarHBondContact O-CA 3.43Å; L448-Y450 HydrophobicContact CB-CD2 4.13Å; L448-Y450 HydrophobicContact CB-CE2 3.64Å; L448-Y450 HydrophobicContact CD2-CE1 4.44Å; L448-Y450 HydrophobicContact CD2-CE2 4.29Å; L448-I560 WeakPolarHBondContact O-CA 3.43Å; L448-V561 PolarHBondContact N-O 2.89Å; L448-V561 PolarHBondContact O-N 2.79Å; L448-R563 HydrophobicContact CD1-CG 4.09Å
449M94.6Very high91.1Very high27 Ų2746.4 Ų46.413%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-93.6115.6163.3-170.8170.3179.500108.8W394 G439 I440 Y442 F451 F558 A559 I560W394-M449 HydrophobicContact CH2-CB 3.78Å; W394-M449 HydrophobicContact CH2-CG 4.26Å; W394-M449 HydrophobicContact CH2-SD 3.6Å; W394-M449 HydrophobicContact CZ2-SD 4.31Å; W394-M449 HydrophobicContact CZ3-CB 3.84Å; G439-M449 WeakPolarHBondContact CA-O 3.46Å; I440-M449 PolarHBondContact N-O 3.39Å; I440-M449 PolarHBondContact O-N 3.34Å; Y442-M449 HydrophobicContact CE2-CB 3.87Å; M449-F451 HydrophobicContact CB-CE2 4.29Å; M449-F451 HydrophobicContact CE-CE1 3.81Å; M449-F451 HydrophobicContact CE-CE2 4.35Å; M449-F451 HydrophobicContact CE-CZ 3.57Å; M449-F451 HydrophobicContact CG-CD2 4.49Å; M449-F451 HydrophobicContact CG-CE2 3.77Å; M449-F451 HydrophobicContact CG-CZ 3.95Å; M449-F451 HydrophobicContact SD-CE2 4.09Å; M449-F451 HydrophobicContact SD-CZ 3.68Å; M449-F558 HydrophobicContact CE-CB 3.76Å; M449-F558 HydrophobicContact CE-CD2 3.49Å; M449-F558 VanDerWaalsContact CE-CD2 3.49Å; M449-F558 HydrophobicContact CE-CE2 4.24Å; M449-F558 HydrophobicContact CE-CG 3.74Å; M449-A559 CarbonylContact C-O 3.56Å; M449-A559 WeakPolarHBondContact CA-O 3.47Å; M449-I560 HydrophobicContact CB-CG1 4.44Å; M449-I560 HydrophobicContact CG-CG1 4.24Å
450Y95.2Very high91Very high1 Ų147.8 Ų47.80%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-93.5144.5174.1-70.9-83.1000111I437 L438 L448 F476 A479 F558 A559 V561 R563I437-Y450 HydrophobicContact CG2-CD1 4.26Å; L438-Y450 CarbonylContact O-C 3.54Å; L438-Y450 VanDerWaalsContact O-CA 3.24Å; L438-Y450 WeakPolarHBondContact O-CA 3.48Å; L448-Y450 HydrophobicContact CB-CD2 4.13Å; L448-Y450 HydrophobicContact CB-CE2 3.64Å; L448-Y450 HydrophobicContact CD2-CE1 4.44Å; L448-Y450 HydrophobicContact CD2-CE2 4.29Å; Y450-F476 VanDerWaalsContact CB-CE1 3.5Å; Y450-F476 HydrophobicContact CD1-CB 4.17Å; Y450-F476 AromaticContact CD1-CD1 3.79Å; Y450-F476 HydrophobicContact CD1-CD1 3.79Å; Y450-F476 HydrophobicContact CD1-CG 4.23Å; Y450-F476 HydrophobicContact CD2-CB 4.15Å; Y450-F476 HydrophobicContact CD2-CD1 4.01Å; Y450-F476 HydrophobicContact CD2-CD2 4.38Å; Y450-F476 HydrophobicContact CD2-CE1 4.5Å; Y450-F476 AromaticContact CD2-CG 3.94Å; Y450-F476 HydrophobicContact CD2-CG 3.94Å; Y450-F476 HydrophobicContact CE1-CB 3.95Å; Y450-F476 HydrophobicContact CE1-CD1 4.44Å; Y450-F476 HydrophobicContact CE1-CG 4.49Å; Y450-F476 VanDerWaalsContact CE1-O 3.27Å; Y450-F476 WeakPolarHBondContact CE1-O 3.03Å; Y450-F476 HydrophobicContact CE2-CB 3.94Å; Y450-F476 HydrophobicContact CE2-CG 4.23Å; Y450-F476 HydrophobicContact CG-CB 4.24Å; Y450-F476 AromaticContact CG-CD1 3.51Å; Y450-F476 HydrophobicContact CG-CD1 3.51Å; Y450-F476 AromaticContact CG-CE1 3.97Å; Y450-F476 HydrophobicContact CG-CE1 3.97Å; Y450-F476 AromaticContact CG-CG 3.91Å; Y450-F476 HydrophobicContact CG-CG 3.91Å; Y450-F476 PolarHBondContact OH-O 2.8Å; Y450-F476 VanDerWaalsContact OH-O 3.12Å; Y450-A479 HydrophobicContact CD1-CB 4.5Å; Y450-A479 HydrophobicContact CE1-CB 4.01Å; Y450-F558 CarbonylContact O-C 3.42Å; Y450-F558 WeakPolarHBondContact O-CA 3.22Å; Y450-F558 WeakPolarHBondContact O-CB 3.18Å; Y450-A559 PolarHBondContact N-O 3.23Å; Y450-A559 PolarHBondContact O-N 2.75Å; Y450-V561 HydrophobicContact CD2-CB 4Å; Y450-V561 HydrophobicContact CD2-CG2 3.71Å; Y450-V561 HydrophobicContact CE2-CB 3.95Å; Y450-V561 HydrophobicContact CE2-CG2 4.11Å; Y450-R563 WeakPolarHBondContact OH-CD 3.34Å
451F96.7Very high90.7Very high28 Ų2854.4 Ų54.412%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-123.9125.6171.9-60.2-100.2000107.7I437 L438 I440 M449 F550 F556 L557 F558I437-F451 VanDerWaalsContact CA-O 3.31Å; I437-F451 WeakPolarHBondContact CA-O 3.5Å; L438-F451 HydrophobicContact CB-CB 4.38Å; L438-F451 HydrophobicContact CD2-CD2 4.49Å; L438-F451 PolarHBondContact N-O 2.93Å; L438-F451 PolarHBondContact O-N 3.07Å; I440-F451 HydrophobicContact CD1-CD2 4.48Å; I440-F451 HydrophobicContact CD1-CE2 3.84Å; I440-F451 HydrophobicContact CG1-CE2 4.2Å; M449-F451 HydrophobicContact CB-CE2 4.29Å; M449-F451 HydrophobicContact CE-CE1 3.81Å; M449-F451 HydrophobicContact CE-CE2 4.35Å; M449-F451 HydrophobicContact CE-CZ 3.57Å; M449-F451 HydrophobicContact CG-CD2 4.49Å; M449-F451 HydrophobicContact CG-CE2 3.77Å; M449-F451 HydrophobicContact CG-CZ 3.95Å; M449-F451 HydrophobicContact SD-CE2 4.09Å; M449-F451 HydrophobicContact SD-CZ 3.68Å; F451-F550 HydrophobicContact CB-CE1 4.04Å; F451-F550 HydrophobicContact CB-CZ 3.61Å; F451-F556 AromaticContact CD1-CD2 3.83Å; F451-F556 HydrophobicContact CD1-CD2 3.83Å; F451-F556 AromaticContact CD1-CE2 3.52Å; F451-F556 HydrophobicContact CD1-CE2 3.52Å; F451-F556 HydrophobicContact CD1-CZ 4.24Å; F451-F556 AromaticContact CE1-CE2 3.83Å; F451-F556 HydrophobicContact CE1-CE2 3.83Å; F451-F556 HydrophobicContact CE1-CZ 4.32Å; F451-L557 CarbonylContact C-O 3.51Å; F451-L557 WeakPolarHBondContact CA-O 3.36Å; F451-F558 HydrophobicContact CD1-CB 4.27Å; F451-F558 HydrophobicContact CE1-CB 4.46Å
452V96.4Very high90.6Very high1 Ų157.6 Ų57.61%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-113.9109.1175.4-172.20000107.5L435 M463 L475 F476 F556 L557L435-V452 HydrophobicContact CB-CG1 4.46Å; L435-V452 HydrophobicContact CD1-CG1 3.95Å; V452-M463 HydrophobicContact CB-SD 4.46Å; V452-M463 HydrophobicContact CG1-SD 3.78Å; V452-L475 HydrophobicContact CG1-CD1 4.39Å; V452-F476 HydrophobicContact CG2-CD1 4.47Å; V452-F476 HydrophobicContact CG2-CE1 3.74Å; V452-F556 WeakPolarHBondContact O-CB 3.05Å; V452-L557 HydrophobicContact CB-CB 4.28Å; V452-L557 PolarHBondContact N-O 2.92Å; V452-L557 PolarHBondContact O-N 2.71Å
453L97.2Very high90.6Very high1 Ų157.3 Ų57.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-113.9124.7-173-176.772.2000109.6L435 Q436 F550 T551 H554 F556L435-L453 CarbonylContact C-O 3.56Å; L435-L453 WeakPolarHBondContact CA-O 3.26Å; Q436-L453 PolarHBondContact N-O 2.91Å; Q436-L453 PolarHBondContact O-N 2.89Å; L453-F550 HydrophobicContact CB-CE2 3.64Å; L453-F550 HydrophobicContact CB-CZ 3.66Å; L453-F550 HydrophobicContact CD2-CD2 4.43Å; L453-F550 HydrophobicContact CD2-CE1 4.47Å; L453-F550 HydrophobicContact CD2-CE2 4.02Å; L453-F550 HydrophobicContact CD2-CZ 4.04Å; L453-F550 HydrophobicContact CG-CZ 4.45Å; L453-T551 WeakPolarHBondContact CD2-O 3.25Å; L453-H554 WeakPolarHBondContact CD1-NE2 3.37Å; L453-F556 HydrophobicContact CB-CB 4.46Å; L453-F556 HydrophobicContact CD1-CB 3.73Å
454P96.9Very high90.6Very high3 Ų356.5 Ų56.52%0.01927%0.265CS..EExtended strand (participates in β ladder)trans-58.3139.6167.2-20.131.7000111.5L435 E456 H460 M463 H554 P555L435-P454 HydrophobicContact CD2-CB 4.44Å; P454-E456 WeakPolarHBondContact CB-O 3.42Å; P454-E456 PolarHBondContact O-N 3.26Å; P454-H460 HydrophobicContact CG-CB 4.36Å; P454-M463 HydrophobicContact CG-CB 4.16Å; P454-M463 HydrophobicContact CG-CE 4.03Å; P454-M463 HydrophobicContact CG-SD 3.76Å; P454-H554 PolarHBondContact O-CE1 2.97Å; P454-H554 PolarHBondContact O-NE2 2.66Å; P454-P555 WeakPolarHBondContact CD-O 3.42Å
455K94.5Very high90.8Very high87 Ų8762 Ų6238%0.37828%0.277SS..SBendtrans-68.7-29.7171.4-74.1-177.6170-177.20111.7E431 T432 E434 Q436E431-K455 VanDerWaalsContact OE2-CE 3.31Å; E431-K455 WeakPolarHBondContact OE2-CE 3.35Å; E431-K455 IonicContact OE2-NZ 2.77Å; E431-K455 PolarHBondContact OE2-NZ 3.03Å; T432-K455 WeakPolarHBondContact O-CE 3.28Å; T432-K455 PolarHBondContact O-NZ 3.31Å; E434-K455 PolarHBondContact O-N 2.91Å; Q436-K455 HydrophobicContact CG-CG 3.95Å
456E93.9Very high91.2Very high140 Ų14060.4 Ų60.465%0.65427%0.268SS*.SBendtrans-86.5124.1173.1-67.6-174.8172.300111.2P454 F458 G459P454-E456 WeakPolarHBondContact CB-O 3.42Å; P454-E456 PolarHBondContact O-N 3.26Å; E456-F458 PolarHBondContact O-N 2.9Å; E456-G459 PolarHBondContact O-N 3.42Å
457R90.6Very high91.3Very high107 Ų10755.5 Ų55.540%0.40425%0.248SC..THydrogen-bonded Turntrans-51.6-24.9-177.6-170.7174.3-77.4170-5.2115.3Y409 D553 H554Y409-R457 HydrophobicContact CD2-CG 4.25Å; Y409-R457 VanDerWaalsContact CE2-CZ 3.43Å; Y409-R457 HydrophobicContact CG-CG 4.26Å; R457-D553 IonicContact NH2-OD2 3.47Å; R457-D553 PolarHBondContact NH2-OD2 3.04Å; R457-H554 HydrophobicContact CG-CB 3.88Å; R457-H554 PolarHBondContact O-CD2 3.07Å
458F91.4Very high91Very high96 Ų9658.8 Ų58.842%0.42127%0.266SS..THydrogen-bonded Turntrans-120.518.6177.9-52.1-62.6000113.2K411 Q412 E456 H460K411-F458 VanDerWaalsContact C-CE1 3.47Å; Q412-F458 HydrophobicContact CG-CD1 4.03Å; Q412-F458 HydrophobicContact CG-CD2 3.7Å; Q412-F458 HydrophobicContact CG-CE1 4.01Å; Q412-F458 HydrophobicContact CG-CE2 3.67Å; Q412-F458 HydrophobicContact CG-CG 3.88Å; Q412-F458 HydrophobicContact CG-CZ 3.83Å; E456-F458 PolarHBondContact O-N 2.9Å; F458-H460 VanDerWaalsContact C-N 3.3Å; F458-H460 PolarHBondContact O-N 3.16Å
459G90Very high90.2Very high9 Ų962.2 Ų62.29%0.09329%0.294CS..  trans-80-3.3-178.200000114.8E456 K461 N462 M463E456-G459 PolarHBondContact O-N 3.42Å; G459-K461 PolarHBondContact O-N 3.44Å; G459-N462 WeakPolarHBondContact O-CB 3.46Å; G459-N462 PolarHBondContact O-N 2.69Å; G459-M463 PolarHBondContact O-N 2.9Å
460H90.9Very high89.4Confident29 Ų2965.4 Ų65.413%0.13432%0.315CS..Hα-helixtrans-55.3-47-172.5-172.967000114.2P454 F458 N462 M463 M464 P555 D573P454-H460 HydrophobicContact CG-CB 4.36Å; F458-H460 VanDerWaalsContact C-N 3.3Å; F458-H460 PolarHBondContact O-N 3.16Å; H460-N462 PolarHBondContact O-N 3.11Å; H460-M463 WeakPolarHBondContact ND1-CE 3.5Å; H460-M463 WeakPolarHBondContact O-CB 3.43Å; H460-M463 PolarHBondContact O-N 2.95Å; H460-M464 WeakPolarHBondContact O-CG 3.24Å; H460-M464 PolarHBondContact O-N 3.37Å; H460-P555 HydrophobicContact CB-CB 3.94Å; H460-D573 IonicContact CD2-OD2 3.84Å; H460-D573 IonicContact CE1-OD1 2.94Å; H460-D573 PolarHBondContact CE1-OD1 2.57Å; H460-D573 IonicContact CE1-OD2 3.58Å; H460-D573 IonicContact NE2-OD1 2.84Å; H460-D573 PolarHBondContact NE2-OD1 2.72Å; H460-D573 IonicContact NE2-OD2 2.77Å; H460-D573 PolarHBondContact NE2-OD2 2.7Å
461K86.6Confident88.8Confident148 Ų14869.8 Ų69.864%0.64333%0.332SS*.Hα-helixtrans-63.1-32.7179-167.8176.5-177176.70112.2G459 R465G459-K461 PolarHBondContact O-N 3.44Å; K461-R465 WeakPolarHBondContact O-CG 3.38Å; K461-R465 PolarHBondContact O-N 3.33Å
462N88.7Confident88.3Confident77 Ų7768.8 Ų68.841%0.41233%0.328SS..Hα-helixtrans-73.3-43.3176.3-167.326.2000110.9G459 H460 M464 R465 K466G459-N462 WeakPolarHBondContact O-CB 3.46Å; G459-N462 PolarHBondContact O-N 2.69Å; H460-N462 PolarHBondContact O-N 3.11Å; N462-M464 PolarHBondContact O-N 3.35Å; N462-R465 PolarHBondContact O-N 2.9Å; N462-K466 WeakPolarHBondContact O-CG 3.41Å; N462-K466 PolarHBondContact O-N 3.41Å; N462-K466 WeakPolarHBondContact OD1-CE 3.44Å
463M91.6Very high87.7Confident7 Ų771.4 Ų71.43%0.03434%0.342CS..Hα-helixtrans-54.6-52.9171.9175.3-17573.900110.9L435 V452 P454 G459 H460 R465 K466 L467 L557L435-M463 HydrophobicContact CD1-CG 4.35Å; L435-M463 HydrophobicContact CD2-CB 4.06Å; L435-M463 HydrophobicContact CD2-CG 3.67Å; L435-M463 HydrophobicContact CD2-SD 3.6Å; L435-M463 VanDerWaalsContact CD2-SD 3.6Å; V452-M463 HydrophobicContact CB-SD 4.46Å; V452-M463 HydrophobicContact CG1-SD 3.78Å; P454-M463 HydrophobicContact CG-CB 4.16Å; P454-M463 HydrophobicContact CG-CE 4.03Å; P454-M463 HydrophobicContact CG-SD 3.76Å; G459-M463 PolarHBondContact O-N 2.9Å; H460-M463 WeakPolarHBondContact ND1-CE 3.5Å; H460-M463 WeakPolarHBondContact O-CB 3.43Å; H460-M463 PolarHBondContact O-N 2.95Å; M463-R465 PolarHBondContact O-N 3.11Å; M463-K466 PolarHBondContact O-N 2.77Å; M463-L467 HydrophobicContact CE-CD1 4.42Å; M463-L467 HydrophobicContact CG-CD1 3.62Å; M463-L467 HydrophobicContact CG-CG 4.03Å; M463-L467 WeakPolarHBondContact O-CG 3.48Å; M463-L467 PolarHBondContact O-N 3.43Å; M463-L467 HydrophobicContact SD-CD1 4.17Å; M463-L557 HydrophobicContact CE-CB 4.07Å
464M87.5Confident87.1Confident81 Ų8176 Ų7640%0.39937%0.366SS..Hα-helixtrans-61.6-29.8-177.7-68.9-57-71.700113.6H460 N462 K466 L467 L557H460-M464 WeakPolarHBondContact O-CG 3.24Å; H460-M464 PolarHBondContact O-N 3.37Å; N462-M464 PolarHBondContact O-N 3.35Å; M464-K466 VanDerWaalsContact C-N 3.34Å; M464-L467 HydrophobicContact SD-CD1 4.25Å; M464-L557 HydrophobicContact CE-CD1 4.23Å; M464-L557 HydrophobicContact SD-CD1 4.12Å
465R83.4Confident86.7Confident194 Ų19476.4 Ų76.473%0.73237%0.368SS*.Hα-helixtrans-71.7-27.6173.4-78175.3169.5-177.7-4.9113.5K461 N462 M463K461-R465 WeakPolarHBondContact O-CG 3.38Å; K461-R465 PolarHBondContact O-N 3.33Å; N462-R465 PolarHBondContact O-N 2.9Å; M463-R465 PolarHBondContact O-N 3.11Å
466K85.2Confident86.4Confident71 Ų7172.4 Ų72.431%0.30935%0.351SS..Hα-helixtrans-94.7-15.3-175.7-73.1-176.3-175.5179.60113.5E434 N462 M463 M464 R471E434-K466 IonicContact OE1-NZ 2.68Å; E434-K466 PolarHBondContact OE1-NZ 2.93Å; E434-K466 IonicContact OE2-NZ 2.74Å; E434-K466 PolarHBondContact OE2-NZ 2.75Å; N462-K466 WeakPolarHBondContact O-CG 3.41Å; N462-K466 PolarHBondContact O-N 3.41Å; N462-K466 WeakPolarHBondContact OD1-CE 3.44Å; M463-K466 PolarHBondContact O-N 2.77Å; M464-K466 VanDerWaalsContact C-N 3.34Å; K466-R471 WeakPolarHBondContact O-CD 3.28Å; K466-R471 PolarHBondContact O-NH1 3.3Å; K466-R471 VanDerWaalsContact O-NH1 3.17Å
467L85.3Confident85.9Confident30 Ų3071 Ų7116%0.15735%0.348CS..  trans-82.6140.9179-72.5176.1000111.7M463 M464 R471 L472 L475 L557M463-L467 HydrophobicContact CE-CD1 4.42Å; M463-L467 HydrophobicContact CG-CD1 3.62Å; M463-L467 HydrophobicContact CG-CG 4.03Å; M463-L467 WeakPolarHBondContact O-CG 3.48Å; M463-L467 PolarHBondContact O-N 3.43Å; M463-L467 HydrophobicContact SD-CD1 4.17Å; M464-L467 HydrophobicContact SD-CD1 4.25Å; L467-R471 HydrophobicContact CD2-CG 4.38Å; L467-L472 HydrophobicContact CD1-CD1 4.09Å; L467-L472 HydrophobicContact CD2-CD1 4.11Å; L467-L475 HydrophobicContact CD2-CD1 3.55Å; L467-L557 HydrophobicContact CD1-CD2 3.94Å
468N82.7Confident85.5Confident96 Ų9668.1 Ų68.151%0.51334%0.344SS..  trans-141.1172.916664.635.4000108.2T470 R471 L472N468-T470 VanDerWaalsContact C-N 3.33Å; N468-T470 PolarHBondContact O-N 2.81Å; N468-T470 PolarHBondContact OD1-N 3.47Å; N468-R471 PolarHBondContact O-N 2.82Å; N468-R471 WeakPolarHBondContact OD1-CB 3.45Å; N468-R471 PolarHBondContact OD1-N 2.98Å; N468-L472 WeakPolarHBondContact O-CB 3.24Å; N468-L472 PolarHBondContact O-N 2.86Å
469A74.5Confident85Confident73 Ų7363.6 Ų63.660%0.60332%0.324SS*.Hα-helixtrans-56.5-44.8-175.100000113L472 L473A469-L472 PolarHBondContact O-N 3.03Å; A469-L473 WeakPolarHBondContact O-CG 3.23Å; A469-L473 PolarHBondContact O-N 3.38Å; A469-L473 VanDerWaalsContact O-N 3.09Å
470T77.8Confident84.1Confident94 Ų9465.9 Ų65.958%0.57734%0.337SS*.Hα-helixtrans-61.7-53.8179.1-50.10000111.3N468 L472 L473 D474N468-T470 VanDerWaalsContact C-N 3.33Å; N468-T470 PolarHBondContact O-N 2.81Å; N468-T470 PolarHBondContact OD1-N 3.47Å; T470-L472 PolarHBondContact O-N 3.31Å; T470-L473 PolarHBondContact O-N 3.32Å; T470-L473 VanDerWaalsContact O-N 3.14Å; T470-D474 VanDerWaalsContact O-CG 3.26Å; T470-D474 PolarHBondContact O-N 2.77Å
471R83.7Confident82.8Confident93 Ų9369.2 Ų69.235%0.35135%0.352SS..Hα-helixtrans-59.6-35.4179.6-175175.7-177.8163.63.8111.9K466 L467 N468 D474 L475K466-R471 WeakPolarHBondContact O-CD 3.28Å; K466-R471 PolarHBondContact O-NH1 3.3Å; K466-R471 VanDerWaalsContact O-NH1 3.17Å; L467-R471 HydrophobicContact CD2-CG 4.38Å; N468-R471 PolarHBondContact O-N 2.82Å; N468-R471 WeakPolarHBondContact OD1-CB 3.45Å; N468-R471 PolarHBondContact OD1-N 2.98Å; R471-D474 PolarHBondContact O-N 2.68Å; R471-L475 HydrophobicContact CG-CD1 4.3Å; R471-L475 WeakPolarHBondContact O-CB 3.43Å; R471-L475 WeakPolarHBondContact O-CG 3.32Å; R471-L475 PolarHBondContact O-N 3.35Å
472L85.4Confident81.2Confident8 Ų868.7 Ų68.74%0.04235%0.346CS..Hα-helixtrans-66.3-45.3178.7-16482.5000111.5L467 N468 A469 T470 L475 F476 L557 I568 I571L467-L472 HydrophobicContact CD1-CD1 4.09Å; L467-L472 HydrophobicContact CD2-CD1 4.11Å; N468-L472 WeakPolarHBondContact O-CB 3.24Å; N468-L472 PolarHBondContact O-N 2.86Å; A469-L472 PolarHBondContact O-N 3.03Å; T470-L472 PolarHBondContact O-N 3.31Å; L472-L475 WeakPolarHBondContact O-CB 3.41Å; L472-L475 PolarHBondContact O-N 2.84Å; L472-F476 HydrophobicContact CD1-CE1 4.26Å; L472-F476 HydrophobicContact CD1-CZ 3.92Å; L472-F476 HydrophobicContact CD2-CE2 3.57Å; L472-F476 HydrophobicContact CD2-CZ 3.49Å; L472-F476 VanDerWaalsContact CD2-CZ 3.49Å; L472-F476 HydrophobicContact CG-CD2 4.43Å; L472-F476 HydrophobicContact CG-CE1 4.03Å; L472-F476 HydrophobicContact CG-CE2 3.61Å; L472-F476 HydrophobicContact CG-CZ 3.38Å; L472-F476 WeakPolarHBondContact O-CD1 2.91Å; L472-F476 WeakPolarHBondContact O-CD2 3.29Å; L472-F476 WeakPolarHBondContact O-CG 3.22Å; L472-F476 PolarHBondContact O-N 2.8Å; L472-L557 HydrophobicContact CD1-CD2 3.34Å; L472-L557 HydrophobicContact CD2-CD2 4.4Å; L472-I568 HydrophobicContact CD2-CD1 3.72Å; L472-I571 HydrophobicContact CD2-CD1 3.61Å
473L83.4Confident79.4Confident56 Ų5671.3 Ų71.329%0.29335%0.354SS..Hα-helixtrans-62.9-43.3174.8-68.2172.3000111.2A469 T470 L475 F476 D477 I568A469-L473 WeakPolarHBondContact O-CG 3.23Å; A469-L473 PolarHBondContact O-N 3.38Å; A469-L473 VanDerWaalsContact O-N 3.09Å; T470-L473 PolarHBondContact O-N 3.32Å; T470-L473 VanDerWaalsContact O-N 3.14Å; L473-L475 VanDerWaalsContact C-N 3.28Å; L473-L475 PolarHBondContact O-N 3.39Å; L473-F476 HydrophobicContact CD2-CD2 4.3Å; L473-F476 WeakPolarHBondContact O-CB 3.35Å; L473-F476 PolarHBondContact O-N 2.88Å; L473-D477 PolarHBondContact O-N 2.95Å; L473-I568 HydrophobicContact CD2-CD1 4.19Å; L473-I568 HydrophobicContact CD2-CG1 4.18Å
474D85.7Confident77.4Confident96 Ų9673.3 Ų73.351%0.51337%0.367SS..Hα-helixtrans-58.5-40.6175.6-62.9-28.4000111.9T470 R471 D477 S478T470-D474 VanDerWaalsContact O-CG 3.26Å; T470-D474 PolarHBondContact O-N 2.77Å; R471-D474 PolarHBondContact O-N 2.68Å; D474-D477 PolarHBondContact O-N 3.43Å; D474-S478 WeakPolarHBondContact O-CB 3.34Å; D474-S478 PolarHBondContact O-N 2.9Å
475L88.4Confident75.4Confident13 Ų1374.7 Ų74.77%0.06837%0.372CS..Hα-helixtrans-63.5-42.4175.3-72.9168.7000111.3T432 L435 I437 V452 L467 R471 L472 L473 S478T432-L475 HydrophobicContact CG2-CD2 4.13Å; L435-L475 HydrophobicContact CD1-CD1 3.96Å; L435-L475 HydrophobicContact CD1-CD2 4.41Å; I437-L475 HydrophobicContact CD1-CD2 3.93Å; I437-L475 HydrophobicContact CG1-CB 4.23Å; I437-L475 HydrophobicContact CG1-CD2 4.11Å; V452-L475 HydrophobicContact CG1-CD1 4.39Å; L467-L475 HydrophobicContact CD2-CD1 3.55Å; R471-L475 HydrophobicContact CG-CD1 4.3Å; R471-L475 WeakPolarHBondContact O-CB 3.43Å; R471-L475 WeakPolarHBondContact O-CG 3.32Å; R471-L475 PolarHBondContact O-N 3.35Å; L472-L475 WeakPolarHBondContact O-CB 3.41Å; L472-L475 PolarHBondContact O-N 2.84Å; L473-L475 VanDerWaalsContact C-N 3.28Å; L473-L475 PolarHBondContact O-N 3.39Å; L475-S478 PolarHBondContact O-N 2.8Å; L475-S478 PolarHBondContact O-OG 3.11Å
476F88.1Confident73.9Confident2 Ų270 Ų701%0.00936%0.358CS..Hα-helixtrans-66-40.7177.7-60.2-24.3000112.6Y450 V452 L472 L473 S478 A479 A559 V561 I568Y450-F476 VanDerWaalsContact CB-CE1 3.5Å; Y450-F476 HydrophobicContact CD1-CB 4.17Å; Y450-F476 AromaticContact CD1-CD1 3.79Å; Y450-F476 HydrophobicContact CD1-CD1 3.79Å; Y450-F476 HydrophobicContact CD1-CG 4.23Å; Y450-F476 HydrophobicContact CD2-CB 4.15Å; Y450-F476 HydrophobicContact CD2-CD1 4.01Å; Y450-F476 HydrophobicContact CD2-CD2 4.38Å; Y450-F476 HydrophobicContact CD2-CE1 4.5Å; Y450-F476 AromaticContact CD2-CG 3.94Å; Y450-F476 HydrophobicContact CD2-CG 3.94Å; Y450-F476 HydrophobicContact CE1-CB 3.95Å; Y450-F476 HydrophobicContact CE1-CD1 4.44Å; Y450-F476 HydrophobicContact CE1-CG 4.49Å; Y450-F476 VanDerWaalsContact CE1-O 3.27Å; Y450-F476 WeakPolarHBondContact CE1-O 3.03Å; Y450-F476 HydrophobicContact CE2-CB 3.94Å; Y450-F476 HydrophobicContact CE2-CG 4.23Å; Y450-F476 HydrophobicContact CG-CB 4.24Å; Y450-F476 AromaticContact CG-CD1 3.51Å; Y450-F476 HydrophobicContact CG-CD1 3.51Å; Y450-F476 AromaticContact CG-CE1 3.97Å; Y450-F476 HydrophobicContact CG-CE1 3.97Å; Y450-F476 AromaticContact CG-CG 3.91Å; Y450-F476 HydrophobicContact CG-CG 3.91Å; Y450-F476 PolarHBondContact OH-O 2.8Å; Y450-F476 VanDerWaalsContact OH-O 3.12Å; V452-F476 HydrophobicContact CG2-CD1 4.47Å; V452-F476 HydrophobicContact CG2-CE1 3.74Å; L472-F476 HydrophobicContact CD1-CE1 4.26Å; L472-F476 HydrophobicContact CD1-CZ 3.92Å; L472-F476 HydrophobicContact CD2-CE2 3.57Å; L472-F476 HydrophobicContact CD2-CZ 3.49Å; L472-F476 VanDerWaalsContact CD2-CZ 3.49Å; L472-F476 HydrophobicContact CG-CD2 4.43Å; L472-F476 HydrophobicContact CG-CE1 4.03Å; L472-F476 HydrophobicContact CG-CE2 3.61Å; L472-F476 HydrophobicContact CG-CZ 3.38Å; L472-F476 WeakPolarHBondContact O-CD1 2.91Å; L472-F476 WeakPolarHBondContact O-CD2 3.29Å; L472-F476 WeakPolarHBondContact O-CG 3.22Å; L472-F476 PolarHBondContact O-N 2.8Å; L473-F476 HydrophobicContact CD2-CD2 4.3Å; L473-F476 WeakPolarHBondContact O-CB 3.35Å; L473-F476 PolarHBondContact O-N 2.88Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.89Å; F476-A479 PolarHBondContact O-N 2.84Å; F476-A559 HydrophobicContact CE1-CB 4.38Å; F476-A559 HydrophobicContact CE2-CB 3.9Å; F476-A559 HydrophobicContact CZ-CB 3.47Å; F476-A559 VanDerWaalsContact CZ-CB 3.47Å; F476-V561 HydrophobicContact CD2-CG2 3.76Å; F476-V561 HydrophobicContact CE2-CG2 3.71Å; F476-V561 HydrophobicContact CZ-CG2 4.48Å; F476-I568 HydrophobicContact CE2-CD1 4.13Å; F476-I568 HydrophobicContact CE2-CG1 4.24Å
477D82.3Confident72.2Confident111 Ų11169.1 Ų69.159%0.59436%0.359SS*.Hα-helixtrans-69.9-28.7177.8-72-19.3000112L473 D474 A479L473-D477 PolarHBondContact O-N 2.95Å; D474-D477 PolarHBondContact O-N 3.43Å; D477-A479 VanDerWaalsContact C-N 3.29Å; D477-A479 PolarHBondContact O-N 2.76Å
478S82.4Confident70.5Confident46 Ų4667.9 Ų67.932%0.32235%0.352SS..Hα-helixtrans-67.9-27.4176.279.10000113.6S430 D474 L475 F476 T480S430-S478 WeakPolarHBondContact CB-O 3.34Å; S430-S478 WeakPolarHBondContact CB-OG 3.22Å; S430-S478 PolarHBondContact OG-OG 2.82Å; D474-S478 WeakPolarHBondContact O-CB 3.34Å; D474-S478 PolarHBondContact O-N 2.9Å; L475-S478 PolarHBondContact O-N 2.8Å; L475-S478 PolarHBondContact O-OG 3.11Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.89Å; S478-T480 PolarHBondContact O-N 3.4Å
479A81.2Confident69Low1 Ų169 Ų691%0.00835%0.354CS..  trans-78.6109.6-179.100000110A428 I437 Y450 F476 D477A428-A479 HydrophobicContact CB-CB 4.41Å; I437-A479 HydrophobicContact CB-CB 4.43Å; I437-A479 HydrophobicContact CG2-CB 3.91Å; Y450-A479 HydrophobicContact CD1-CB 4.5Å; Y450-A479 HydrophobicContact CE1-CB 4.01Å; F476-A479 PolarHBondContact O-N 2.84Å; D477-A479 VanDerWaalsContact C-N 3.29Å; D477-A479 PolarHBondContact O-N 2.76Å
480T70.6Confident67.7Low58 Ų5869.1 Ų69.136%0.35635%0.351SS..BIsolated β-bridgetrans-128.7144.4-17544.50000110.3Y429 S478 R482Y429-T480 PolarHBondContact N-O 2.96Å; S478-T480 PolarHBondContact O-N 3.4Å; T480-R482 VanDerWaalsContact C-N 3.33Å; T480-R482 PolarHBondContact O-N 3.17Å
481E63.7Low66.3Low99 Ų9969.5 Ų69.546%0.46335%0.349SS..  trans-71.791.5168.7-75.4175.4-166.500107.4A428A428-E481 HydrophobicContact CB-CG 4.31Å
482R53.3Low64.7Low137 Ų13766.8 Ų66.852%0.51735%0.35SS..  trans-82.5120.6177.9-65.5-172.1-175.4-176.13.7109.7T480 V487T480-R482 VanDerWaalsContact C-N 3.33Å; T480-R482 PolarHBondContact O-N 3.17Å; R482-V487 HydrophobicContact CB-CG2 3.82Å
483K50.4Low63.1Low131 Ų13167.3 Ų67.357%0.5735%0.353SS*.  trans-63.9149.6163.7-70.9-175.1175.9-175.30109.4E485 Q486 V487K483-E485 PolarHBondContact O-N 3Å; K483-E485 VanDerWaalsContact O-N 3.12Å; K483-Q486 HydrophobicContact CB-CG 4.5Å; K483-Q486 WeakPolarHBondContact O-CA 3.39Å; K483-Q486 WeakPolarHBondContact O-CB 3.43Å; K483-Q486 PolarHBondContact O-N 2.81Å; K483-V487 PolarHBondContact O-N 2.77Å; K483-V487 VanDerWaalsContact O-N 3.12Å
484V49.8Very low61.6Low50 Ų5068 Ų6830%0.30336%0.359SS..Hα-helixtrans-49.9-40.3175.21760000111.2Q486 V487 L488 T532 V534V484-Q486 VanDerWaalsContact C-N 3.32Å; V484-Q486 PolarHBondContact O-N 2.9Å; V484-V487 WeakPolarHBondContact O-CB 3.04Å; V484-V487 PolarHBondContact O-N 2.89Å; V484-L488 HydrophobicContact CG1-CD1 4.02Å; V484-L488 HydrophobicContact CG1-CG 4.33Å; V484-L488 WeakPolarHBondContact O-CG 2.69Å; V484-L488 PolarHBondContact O-N 3Å; V484-T532 HydrophobicContact CG2-CG2 4.49Å; V484-V534 HydrophobicContact CG1-CG2 4.23Å
485E46.6Very low59.8Low110 Ų11067.2 Ų67.251%0.51436%0.355SS..Hα-helixtrans-56-41.8175.3-68.7160.1170.300113K483 L488 Q489 F497K483-E485 PolarHBondContact O-N 3Å; K483-E485 VanDerWaalsContact O-N 3.12Å; E485-L488 PolarHBondContact O-N 3.24Å; E485-Q489 WeakPolarHBondContact O-CB 3.04Å; E485-Q489 PolarHBondContact O-N 3.47Å; E485-F497 HydrophobicContact CB-CE2 4.43Å; E485-F497 HydrophobicContact CG-CE2 3.82Å; E485-F497 HydrophobicContact CG-CZ 3.88Å
486Q50.5Low57.9Low95 Ų9568.1 Ų68.144%0.44436%0.359SS..Hα-helixtrans-72.3-36178.4-69.2176.6-24.700112K483 V484 Q489 S490K483-Q486 HydrophobicContact CB-CG 4.5Å; K483-Q486 WeakPolarHBondContact O-CA 3.39Å; K483-Q486 WeakPolarHBondContact O-CB 3.43Å; K483-Q486 PolarHBondContact O-N 2.81Å; V484-Q486 VanDerWaalsContact C-N 3.32Å; V484-Q486 PolarHBondContact O-N 2.9Å; Q486-Q489 WeakPolarHBondContact O-CB 2.75Å; Q486-Q489 PolarHBondContact O-N 2.69Å; Q486-S490 PolarHBondContact O-N 3.44Å; Q486-S490 PolarHBondContact O-OG 2.8Å
487V49.7Very low55.9Low53 Ų5373 Ų7332%0.32138%0.381SS..Hα-helixtrans-62-47.5173.1179.70000109.6R482 K483 V484 Q489 S490 L491R482-V487 HydrophobicContact CB-CG2 3.82Å; K483-V487 PolarHBondContact O-N 2.77Å; K483-V487 VanDerWaalsContact O-N 3.12Å; V484-V487 WeakPolarHBondContact O-CB 3.04Å; V484-V487 PolarHBondContact O-N 2.89Å; V487-Q489 PolarHBondContact O-N 3.16Å; V487-S490 PolarHBondContact O-N 2.75Å; V487-S490 PolarHBondContact O-OG 3.34Å; V487-L491 HydrophobicContact CG1-CD1 4.12Å; V487-L491 WeakPolarHBondContact O-CG 3.01Å; V487-L491 PolarHBondContact O-N 2.83Å
488L50Low54Low4 Ų471.6 Ų71.62%0.02137%0.373CS..Hα-helixtrans-61-43.3176.4-67.9174.4000111.6V484 E485 S490 L491 G492 L493 M496 F497V484-L488 HydrophobicContact CG1-CD1 4.02Å; V484-L488 HydrophobicContact CG1-CG 4.33Å; V484-L488 WeakPolarHBondContact O-CG 2.69Å; V484-L488 PolarHBondContact O-N 3Å; E485-L488 PolarHBondContact O-N 3.24Å; L488-S490 PolarHBondContact O-N 3.37Å; L488-L491 CarbonylContact O-C 3.55Å; L488-L491 PolarHBondContact O-N 3.44Å; L488-L491 VanDerWaalsContact O-N 3.15Å; L488-G492 PolarHBondContact O-N 3.4Å; L488-L493 HydrophobicContact CB-CB 4.13Å; L488-L493 HydrophobicContact CD2-CB 4.2Å; L488-L493 HydrophobicContact CD2-CD1 3.8Å; L488-L493 WeakPolarHBondContact O-CA 3.07Å; L488-L493 WeakPolarHBondContact O-CB 3.25Å; L488-L493 PolarHBondContact O-N 2.75Å; L488-M496 HydrophobicContact CD1-CE 3.93Å; L488-M496 HydrophobicContact CD2-CE 3.56Å; L488-M496 HydrophobicContact CG-CE 4.31Å; L488-F497 HydrophobicContact CD1-CE2 3.54Å; L488-F497 HydrophobicContact CD1-CZ 3.52Å
489Q51.2Low52Low118 Ų11875.5 Ų75.555%0.55140%0.398SS*.Hα-helixtrans-55.4-48172.1-103.3173.36.500112.8E485 Q486 V487 L491 G492 T494E485-Q489 WeakPolarHBondContact O-CB 3.04Å; E485-Q489 PolarHBondContact O-N 3.47Å; Q486-Q489 WeakPolarHBondContact O-CB 2.75Å; Q486-Q489 PolarHBondContact O-N 2.69Å; V487-Q489 PolarHBondContact O-N 3.16Å; Q489-L491 PolarHBondContact O-N 2.84Å; Q489-G492 PolarHBondContact O-N 2.96Å; Q489-T494 HydrophobicContact CB-CG2 4.31Å; Q489-T494 HydrophobicContact CG-CG2 3.31Å
490S48Very low50.1Low76 Ų7678.9 Ų78.953%0.53143%0.432SS..Hα-helixtrans-65.6-24.5179.672.30000113.4Q486 V487 L488 G492Q486-S490 PolarHBondContact O-N 3.44Å; Q486-S490 PolarHBondContact O-OG 2.8Å; V487-S490 PolarHBondContact O-N 2.75Å; V487-S490 PolarHBondContact O-OG 3.34Å; L488-S490 PolarHBondContact O-N 3.37Å; S490-G492 VanDerWaalsContact C-N 3.28Å
491L48.4Very low48.7Very low102 Ų10281.4 Ų81.453%0.53444%0.443SS..THydrogen-bonded Turntrans-85.51.2173.2-66.5170.8000112.7V487 L488 Q489 L493V487-L491 HydrophobicContact CG1-CD1 4.12Å; V487-L491 WeakPolarHBondContact O-CG 3.01Å; V487-L491 PolarHBondContact O-N 2.83Å; L488-L491 CarbonylContact O-C 3.55Å; L488-L491 PolarHBondContact O-N 3.44Å; L488-L491 VanDerWaalsContact O-N 3.15Å; Q489-L491 PolarHBondContact O-N 2.84Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 HydrophobicContact CB-CD1 3.94Å; L491-L493 HydrophobicContact CB-CG 3.97Å; L491-L493 HydrophobicContact CD1-CD1 4.31Å
492G50Low47.5Very low36 Ų3678 Ų7837%0.37143%0.432SS..THydrogen-bonded Turntrans73.721.4-176.700000114L488 Q489 S490L488-G492 PolarHBondContact O-N 3.4Å; Q489-G492 PolarHBondContact O-N 2.96Å; S490-G492 VanDerWaalsContact C-N 3.28Å
493L50.7Low47Very low20 Ų2076.8 Ų76.811%0.10544%0.435CS..  trans-103.335-176.5-57.2176.7000112.3L488 L491 D495 M496 I507L488-L493 HydrophobicContact CB-CB 4.13Å; L488-L493 HydrophobicContact CD2-CB 4.2Å; L488-L493 HydrophobicContact CD2-CD1 3.8Å; L488-L493 WeakPolarHBondContact O-CA 3.07Å; L488-L493 WeakPolarHBondContact O-CB 3.25Å; L488-L493 PolarHBondContact O-N 2.75Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 HydrophobicContact CB-CD1 3.94Å; L491-L493 HydrophobicContact CB-CG 3.97Å; L491-L493 HydrophobicContact CD1-CD1 4.31Å; L493-D495 PolarHBondContact O-N 2.91Å; L493-M496 HydrophobicContact CB-CE 4.21Å; L493-M496 HydrophobicContact CB-CG 4.09Å; L493-M496 HydrophobicContact CB-SD 3.93Å; L493-M496 HydrophobicContact CD1-CE 4.31Å; L493-M496 HydrophobicContact CD1-SD 4.1Å; L493-M496 HydrophobicContact CD2-SD 4.07Å; L493-M496 HydrophobicContact CG-SD 4.27Å; L493-I507 HydrophobicContact CD2-CD1 3.35Å; L493-I507 HydrophobicContact CD2-CG1 3.66Å
494T52.2Low46.6Very low70 Ų7073.4 Ų73.443%0.42942%0.421SS..G310 helixtrans-55.2-38.2-17937.30000113.3Q489 M496Q489-T494 HydrophobicContact CB-CG2 4.31Å; Q489-T494 HydrophobicContact CG-CG2 3.31Å; T494-M496 VanDerWaalsContact C-N 3.29Å; T494-M496 PolarHBondContact O-N 2.74Å
495D48.6Very low46.2Very low79 Ų7974.5 Ų74.542%0.42243%0.431SS..G310 helixtrans-89.73.9-163.4-49.1-20000112.2L493 F497 D498 L501L493-D495 PolarHBondContact O-N 2.91Å; D495-F497 VanDerWaalsContact C-N 3.31Å; D495-F497 PolarHBondContact O-N 2.73Å; D495-D498 PolarHBondContact O-N 2.84Å; D495-L501 HydrophobicContact CB-CB 4.46Å
496M48.1Very low46Very low32 Ų3277.8 Ų77.816%0.15844%0.443CS..G310 helixtrans-75.1-16.1-175.6-65.4-162.9-29.900114.5L488 L493 T494 D498 L518L488-M496 HydrophobicContact CD1-CE 3.93Å; L488-M496 HydrophobicContact CD2-CE 3.56Å; L488-M496 HydrophobicContact CG-CE 4.31Å; L493-M496 HydrophobicContact CB-CE 4.21Å; L493-M496 HydrophobicContact CB-CG 4.09Å; L493-M496 HydrophobicContact CB-SD 3.93Å; L493-M496 HydrophobicContact CD1-CE 4.31Å; L493-M496 HydrophobicContact CD1-SD 4.1Å; L493-M496 HydrophobicContact CD2-SD 4.07Å; L493-M496 HydrophobicContact CG-SD 4.27Å; T494-M496 VanDerWaalsContact C-N 3.29Å; T494-M496 PolarHBondContact O-N 2.74Å; M496-D498 VanDerWaalsContact C-N 3.35Å; M496-L518 HydrophobicContact CE-CD1 3.36Å; M496-L518 HydrophobicContact CE-CD2 3.5Å; M496-L518 HydrophobicContact CE-CG 4.06Å; M496-L518 HydrophobicContact SD-CD1 3.53Å; M496-L518 VanDerWaalsContact SD-CD1 3.53Å
497F45.9Very low45.6Very low106 Ų10675.6 Ų75.647%0.46543%0.434SS..G310 helixtrans-85.3-10.9176-66.9-74.6000113.2E485 L488 D495 P499 I520E485-F497 HydrophobicContact CB-CE2 4.43Å; E485-F497 HydrophobicContact CG-CE2 3.82Å; E485-F497 HydrophobicContact CG-CZ 3.88Å; L488-F497 HydrophobicContact CD1-CE2 3.54Å; L488-F497 HydrophobicContact CD1-CZ 3.52Å; D495-F497 VanDerWaalsContact C-N 3.31Å; D495-F497 PolarHBondContact O-N 2.73Å; F497-P499 WeakPolarHBondContact O-CD 3.33Å; F497-I520 HydrophobicContact CE1-CD1 4.12Å
498D42.7Very low45Very low80 Ų8075.8 Ų75.843%0.42844%0.436SS..SBendtrans-104.2106.9175.6-165.2-26.4000109.2D495 M496 G500 L501 A502D495-D498 PolarHBondContact O-N 2.84Å; M496-D498 VanDerWaalsContact C-N 3.35Å; D498-G500 PolarHBondContact O-N 2.91Å; D498-G500 PolarHBondContact OD1-N 2.76Å; D498-L501 HydrophobicContact CB-CB 4.14Å; D498-L501 PolarHBondContact O-N 2.93Å; D498-A502 PolarHBondContact O-N 2.92Å
499P39.9Very low44.3Very low129 Ų12979.3 Ų79.384%0.83847%0.473SS*.THydrogen-bonded Turntrans-56.1-24.4-176.8-21.931.2000113.4F497F497-P499 WeakPolarHBondContact O-CD 3.33Å
500G41.1Very low43.7Very low71 Ų7182.4 Ų82.473%0.73248%0.484SS*.THydrogen-bonded Turntrans-85.8-17.6-179.600000114.9D498D498-G500 PolarHBondContact O-N 2.91Å; D498-G500 PolarHBondContact OD1-N 2.76Å
501L40.9Very low43.1Very low112 Ų11285 Ų8559%0.58648%0.483SS*.THydrogen-bonded Turntrans-118.9-0.1-169.9-83.2162.9000114.4D495 D498 N503D495-L501 HydrophobicContact CB-CB 4.46Å; D498-L501 HydrophobicContact CB-CB 4.14Å; D498-L501 PolarHBondContact O-N 2.93Å; L501-N503 VanDerWaalsContact C-N 3.32Å; L501-N503 PolarHBondContact O-N 3.32Å
502A40.1Very low42.5Very low28 Ų2890 Ų9023%0.23150%0.504CS..  trans-6188.7-179.400000112.2D498 F504D498-A502 PolarHBondContact O-N 2.92Å; A502-F504 HydrophobicContact CB-CD2 4.39Å; A502-F504 HydrophobicContact CB-CE2 3.65Å; A502-F504 HydrophobicContact CB-CZ 3.76Å; A502-F504 VanDerWaalsContact O-CD2 3.27Å; A502-F504 WeakPolarHBondContact O-CD2 3.17Å; A502-F504 WeakPolarHBondContact O-CE2 3.08Å; A502-F504 PolarHBondContact O-N 2.93Å
503N42Very low41.8Very low110 Ų11090.1 Ų90.159%0.58850%0.499SS*.  trans-89.289.4179.8-167.7-12.9000109.9L501 S505L501-N503 VanDerWaalsContact C-N 3.32Å; L501-N503 PolarHBondContact O-N 3.32Å; N503-S505 PolarHBondContact O-N 2.94Å; N503-S505 VanDerWaalsContact O-N 3.13Å; N503-S505 WeakPolarHBondContact OD1-CB 3.42Å; N503-S505 PolarHBondContact OD1-N 2.85Å; N503-S505 PolarHBondContact OD1-OG 3Å
504F41.9Very low41Very low61 Ų6196.3 Ų96.327%0.26854%0.538SS..G310 helixtrans-70.4-3-176.9-63.5-76.2000115A502 K506 I507 T508 L516A502-F504 HydrophobicContact CB-CD2 4.39Å; A502-F504 HydrophobicContact CB-CE2 3.65Å; A502-F504 HydrophobicContact CB-CZ 3.76Å; A502-F504 VanDerWaalsContact O-CD2 3.27Å; A502-F504 WeakPolarHBondContact O-CD2 3.17Å; A502-F504 WeakPolarHBondContact O-CE2 3.08Å; A502-F504 PolarHBondContact O-N 2.93Å; F504-K506 PolarHBondContact O-N 2.83Å; F504-K506 VanDerWaalsContact O-N 3.14Å; F504-I507 HydrophobicContact CD1-CD1 4.18Å; F504-I507 PolarHBondContact O-N 2.94Å; F504-T508 PolarHBondContact O-N 2.84Å; F504-L516 HydrophobicContact CB-CD1 4Å; F504-L516 HydrophobicContact CD1-CB 3.56Å; F504-L516 HydrophobicContact CD1-CD1 3.76Å; F504-L516 HydrophobicContact CD1-CD2 4.37Å; F504-L516 HydrophobicContact CD1-CG 4.1Å; F504-L516 HydrophobicContact CD2-CB 4.36Å; F504-L516 HydrophobicContact CE1-CB 3.68Å; F504-L516 HydrophobicContact CE1-CD2 4.48Å; F504-L516 HydrophobicContact CE1-CG 4.47Å; F504-L516 HydrophobicContact CE2-CB 4.46Å; F504-L516 HydrophobicContact CG-CB 3.91Å; F504-L516 HydrophobicContact CG-CD1 4.11Å; F504-L516 HydrophobicContact CZ-CB 4.14Å
505S42.2Very low40.1Very low73 Ų7396.8 Ų96.851%0.5154%0.544SS..G310 helixtrans-59.3-26.7-17758.60000114N503 I507 T508N503-S505 PolarHBondContact O-N 2.94Å; N503-S505 VanDerWaalsContact O-N 3.13Å; N503-S505 WeakPolarHBondContact OD1-CB 3.42Å; N503-S505 PolarHBondContact OD1-N 2.85Å; N503-S505 PolarHBondContact OD1-OG 3Å; S505-I507 VanDerWaalsContact C-N 3.31Å; S505-I507 PolarHBondContact O-N 3.33Å; S505-T508 WeakPolarHBondContact CA-OG1 3.44Å; S505-T508 PolarHBondContact O-OG1 2.99Å; S505-T508 VanDerWaalsContact O-OG1 3.06Å
506K42.1Very low39.4Very low179 Ų17994 Ų9478%0.77853%0.529SS*.G310 helixtrans-72.3-20.7174.3-79.9-178.1177.3174.20113.9F504F504-K506 PolarHBondContact O-N 2.83Å; F504-K506 VanDerWaalsContact O-N 3.14Å
507I41.9Very low38.8Very low48 Ų4899 Ų9925%0.24655%0.55CS..THydrogen-bonded Turntrans-92-28.5178-49.4178.8000111.1L493 F504 S505 G509 L516 M536L493-I507 HydrophobicContact CD2-CD1 3.35Å; L493-I507 HydrophobicContact CD2-CG1 3.66Å; F504-I507 HydrophobicContact CD1-CD1 4.18Å; F504-I507 PolarHBondContact O-N 2.94Å; S505-I507 VanDerWaalsContact C-N 3.31Å; S505-I507 PolarHBondContact O-N 3.33Å; I507-G509 PolarHBondContact O-N 2.9Å; I507-L516 HydrophobicContact CB-CD1 4.3Å; I507-L516 HydrophobicContact CD1-CD1 4.41Å; I507-L516 HydrophobicContact CG2-CD1 4.28Å; I507-M536 HydrophobicContact CD1-SD 4.16Å
508T37.4Very low38.4Very low58 Ų5896.2 Ų96.236%0.35654%0.54SS..G310 helixtrans-72.96.3-171.550.60000115.2F504 S505 K510 Y511F504-T508 PolarHBondContact O-N 2.84Å; S505-T508 WeakPolarHBondContact CA-OG1 3.44Å; S505-T508 PolarHBondContact O-OG1 2.99Å; S505-T508 VanDerWaalsContact O-OG1 3.06Å; T508-K510 PolarHBondContact O-N 2.8Å; T508-Y511 PolarHBondContact O-N 3.14Å
509G35.2Very low38Very low77 Ų7798 Ų9879%0.79454%0.544SS*.G310 helixtrans-57.2-8.817800000115.5I507I507-G509 PolarHBondContact O-N 2.9Å
510K38.5Very low37.8Very low183 Ų18395 Ų9580%0.79652%0.52SS*.G310 helixtrans-135.71.2175-90.8-176.3175.21780116.9T508T508-K510 PolarHBondContact O-N 2.8Å
511Y34.7Very low37.5Very low132 Ų13299.6 Ų99.652%0.51852%0.52SS..  trans-143.2115.3-172.9-61.5-82.8000112.3T508 S513 V538T508-Y511 PolarHBondContact O-N 3.14Å; Y511-S513 PolarHBondContact O-N 3.28Å; Y511-V538 VanDerWaalsContact CB-CG1 3.48Å; Y511-V538 HydrophobicContact CD1-CG1 4.29Å; Y511-V538 HydrophobicContact CD2-CG1 4.02Å; Y511-V538 HydrophobicContact CG-CG1 3.67Å
512E36.1Very low37Very low206 Ų206100.9 Ų100.996%0.96352%0.523SS*.  trans-72.121.5179.2-90.2-175.2161.900115
513S35.2Very low36.6Very low39 Ų39101.6 Ų101.627%0.27353%0.526SS..  trans-91.4117-173.9-179.30000112.4Y511 S515 G539Y511-S513 PolarHBondContact O-N 3.28Å; S513-S515 PolarHBondContact O-N 3.17Å; S513-G539 WeakPolarHBondContact OG-CA 3.31Å; S513-G539 PolarHBondContact OG-N 2.86Å; S513-G539 VanDerWaalsContact OG-N 3.15Å
514T34Very low36.2Very low150 Ų150102.7 Ų102.792%0.9254%0.542SS*.SBendtrans-71.312.3-172.816.60000116.4
515S34.5Very low35.7Very low79 Ų79104.7 Ų104.755%0.55256%0.555SS**  trans-157.4103.917455.20000112S513S513-S515 PolarHBondContact O-N 3.17Å
516L33.6Very low35.1Very low20 Ų20109.5 Ų109.511%0.10557%0.57CS.*EExtended strand (participates in β ladder)trans-85.8120.3166.5-108.1142.7000108.5F504 I507 M536 A537 V538F504-L516 HydrophobicContact CB-CD1 4Å; F504-L516 HydrophobicContact CD1-CB 3.56Å; F504-L516 HydrophobicContact CD1-CD1 3.76Å; F504-L516 HydrophobicContact CD1-CD2 4.37Å; F504-L516 HydrophobicContact CD1-CG 4.1Å; F504-L516 HydrophobicContact CD2-CB 4.36Å; F504-L516 HydrophobicContact CE1-CB 3.68Å; F504-L516 HydrophobicContact CE1-CD2 4.48Å; F504-L516 HydrophobicContact CE1-CG 4.47Å; F504-L516 HydrophobicContact CE2-CB 4.46Å; F504-L516 HydrophobicContact CG-CB 3.91Å; F504-L516 HydrophobicContact CG-CD1 4.11Å; F504-L516 HydrophobicContact CZ-CB 4.14Å; I507-L516 HydrophobicContact CB-CD1 4.3Å; I507-L516 HydrophobicContact CD1-CD1 4.41Å; I507-L516 HydrophobicContact CG2-CD1 4.28Å; L516-M536 HydrophobicContact CD2-CB 4.14Å; L516-M536 HydrophobicContact CD2-CG 3.96Å; L516-M536 HydrophobicContact CD2-SD 4.17Å; L516-A537 WeakPolarHBondContact CA-O 3.29Å; L516-V538 HydrophobicContact CD1-CG2 4.42Å; L516-V538 HydrophobicContact CD2-CG2 3.67Å; L516-V538 HydrophobicContact CG-CG2 4.07Å
517K34.7Very low34.5Very low137 Ų137103.2 Ų103.260%0.59655%0.551SS**EExtended strand (participates in β ladder)trans-111.9124.7168.5-76.7-174.6178.6179.50109.1F519 A537K517-F519 HydrophobicContact CB-CD2 4.37Å; K517-F519 HydrophobicContact CB-CE2 3.71Å; K517-F519 HydrophobicContact CB-CZ 4.22Å; K517-F519 HydrophobicContact CD-CE2 4.47Å; K517-F519 HydrophobicContact CD-CZ 4.23Å; K517-A537 PolarHBondContact O-N 3.21Å; K517-A537 VanDerWaalsContact O-N 3.08Å
518L37Very low33.8Very low49 Ų49102.4 Ų102.426%0.25755%0.552SS.*EExtended strand (participates in β ladder)trans-88.5124.7171.4-141.395.7000109M496 I520 V534 M536M496-L518 HydrophobicContact CE-CD1 3.36Å; M496-L518 HydrophobicContact CE-CD2 3.5Å; M496-L518 HydrophobicContact CE-CG 4.06Å; M496-L518 HydrophobicContact SD-CD1 3.53Å; M496-L518 VanDerWaalsContact SD-CD1 3.53Å; L518-I520 HydrophobicContact CD2-CD1 4.28Å; L518-I520 HydrophobicContact CD2-CG1 3.96Å; L518-V534 HydrophobicContact CD1-CG1 3.88Å; L518-V534 HydrophobicContact CD2-CG1 3.75Å; L518-V534 HydrophobicContact CG-CG1 3.74Å; L518-M536 HydrophobicContact CD1-CG 3.45Å; L518-M536 VanDerWaalsContact CD1-CG 3.45Å; L518-M536 HydrophobicContact CD1-SD 4.25Å
519F34Very low33.4Very low118 Ų118101.7 Ų101.752%0.51855%0.552SS.*EExtended strand (participates in β ladder)trans-111.2111.9168.1-64.1-90000108.6K517 V535K517-F519 HydrophobicContact CB-CD2 4.37Å; K517-F519 HydrophobicContact CB-CE2 3.71Å; K517-F519 HydrophobicContact CB-CZ 4.22Å; K517-F519 HydrophobicContact CD-CE2 4.47Å; K517-F519 HydrophobicContact CD-CZ 4.23Å; F519-V535 HydrophobicContact CB-CB 4.24Å; F519-V535 PolarHBondContact N-O 2.87Å; F519-V535 PolarHBondContact O-N 2.84Å
520I36.8Very low33.1Very low64 Ų6499.4 Ų99.433%0.32853%0.526SS..EExtended strand (participates in β ladder)trans-88.3103167.4-57.1-178.9000106.1F497 L518 H522 T532F497-I520 HydrophobicContact CE1-CD1 4.12Å; L518-I520 HydrophobicContact CD2-CD1 4.28Å; L518-I520 HydrophobicContact CD2-CG1 3.96Å; I520-H522 PolarHBondContact O-N 2.81Å; I520-H522 VanDerWaalsContact O-N 3.16Å; I520-T532 HydrophobicContact CG2-CG2 3.52Å
521K33.9Very low32.6Very low168 Ų16892.6 Ų92.673%0.7350%0.503SS*.  trans-81.894.3173.8-165.4177-175.3179.20108.3S523K521-S523 PolarHBondContact O-N 3.04Å
522H32.3Very low32.6Very low140 Ų14087.7 Ų87.765%0.64849%0.487SS*.  trans-66.6115.8165.4-82.1-52.9000108.8I520I520-H522 PolarHBondContact O-N 2.81Å; I520-H522 VanDerWaalsContact O-N 3.16Å
523S31Very low32.5Very low43 Ų4378.5 Ų78.530%0.30145%0.446SS..  trans-67.5129.9165.6173.80000108.7K521 N525 A528K521-S523 PolarHBondContact O-N 3.04Å; S523-N525 PolarHBondContact O-N 3.36Å; S523-N525 PolarHBondContact OG-N 2.96Å; S523-N525 PolarHBondContact OG-O 2.84Å; S523-A528 WeakPolarHBondContact OG-CB 3.37Å
524S33.1Very low32.7Very low133 Ų13377 Ų7793%0.9344%0.435SS*.SBendtrans-71.3-3.2172.754.80000113.5
525N31.6Very low32.9Very low102 Ų10271.1 Ų71.155%0.54540%0.399SS..SBendtrans-94.5116174.8-162.4-15.6000107.8S523 A527 A528 A529S523-N525 PolarHBondContact O-N 3.36Å; S523-N525 PolarHBondContact OG-N 2.96Å; S523-N525 PolarHBondContact OG-O 2.84Å; N525-A527 PolarHBondContact O-N 3.09Å; N525-A528 HydrophobicContact CB-CB 4.45Å; N525-A528 CarbonylContact O-C 3.56Å; N525-A528 WeakPolarHBondContact O-CA 3.35Å; N525-A528 PolarHBondContact O-N 2.72Å; N525-A529 PolarHBondContact O-N 2.95Å
526E29.6Very low33.1Very low175 Ų17568.2 Ų68.282%0.81838%0.377SS*.THydrogen-bonded Turntrans-54.7-22.7178.5-72.9-179.1158.900112.9A528E526-A528 VanDerWaalsContact C-N 3.34Å
527A28.5Very low33.1Very low47 Ų4768.3 Ų68.339%0.38838%0.381SS..THydrogen-bonded Turntrans-69-30.1171.400000113.2N525N525-A527 PolarHBondContact O-N 3.09Å
528A28.9Very low33.2Very low31 Ų3162.5 Ų62.526%0.25636%0.357SS..THydrogen-bonded Turntrans-108.41.4-177.400000114S523 N525 E526 A530 A531S523-A528 WeakPolarHBondContact OG-CB 3.37Å; N525-A528 HydrophobicContact CB-CB 4.45Å; N525-A528 CarbonylContact O-C 3.56Å; N525-A528 WeakPolarHBondContact O-CA 3.35Å; N525-A528 PolarHBondContact O-N 2.72Å; E526-A528 VanDerWaalsContact C-N 3.34Å; A528-A530 PolarHBondContact O-N 2.81Å; A528-A531 CarbonylContact O-C 3.54Å; A528-A531 PolarHBondContact O-N 3.32Å
529A27.9Very low33.4Very low42 Ų4262 Ų6235%0.34736%0.363SS..THydrogen-bonded Turntrans-57.3-32.3166.700000111.6N525 A531 T532N525-A529 PolarHBondContact O-N 2.95Å; A529-A531 VanDerWaalsContact C-N 3.27Å; A529-A531 PolarHBondContact O-N 3.41Å; A529-T532 PolarHBondContact O-OG1 3.32Å
530A28.5Very low33.5Very low30 Ų3062.9 Ų62.925%0.24838%0.384CS..THydrogen-bonded Turntrans-65.6-26.517300000113.3E426 A528 T532E426-A530 HydrophobicContact CG-CB 3.84Å; A528-A530 PolarHBondContact O-N 2.81Å; A530-T532 PolarHBondContact O-N 2.97Å; A530-T532 VanDerWaalsContact O-N 3.14Å
531A29.5Very low33.3Very low39 Ų3962.1 Ų62.132%0.32239%0.385SS..  trans-89.756.8175.500000110.3A528 A529 A533 P547A528-A531 CarbonylContact O-C 3.54Å; A528-A531 PolarHBondContact O-N 3.32Å; A529-A531 VanDerWaalsContact C-N 3.27Å; A529-A531 PolarHBondContact O-N 3.41Å; A531-A533 VanDerWaalsContact C-N 3.33Å; A531-A533 PolarHBondContact O-N 3.09Å; A531-P547 HydrophobicContact CB-CG 4.08Å
532T33.7Very low33.4Very low29 Ų2960.3 Ų60.318%0.17838%0.382CS..  trans-71.592.6174.3-61.60000108.7V484 I520 A529 A530 V534V484-T532 HydrophobicContact CG2-CG2 4.49Å; I520-T532 HydrophobicContact CG2-CG2 3.52Å; A529-T532 PolarHBondContact O-OG1 3.32Å; A530-T532 PolarHBondContact O-N 2.97Å; A530-T532 VanDerWaalsContact O-N 3.14Å; T532-V534 PolarHBondContact O-N 3.34Å
533A33.9Very low33.6Very low14 Ų1457.1 Ų57.112%0.11637%0.373CS..  trans-73.6110.7170.300000108.5A531 V535 R544 I545A531-A533 VanDerWaalsContact C-N 3.33Å; A531-A533 PolarHBondContact O-N 3.09Å; A533-V535 PolarHBondContact O-N 2.86Å; A533-R544 HydrophobicContact CB-CG 4.38Å; A533-I545 WeakPolarHBondContact CA-O 3.33Å
534V40.5Very low34Very low6 Ų663.9 Ų63.94%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-76115.3166.2179.90000106.8V484 L518 T532 I545V484-V534 HydrophobicContact CG1-CG2 4.23Å; L518-V534 HydrophobicContact CD1-CG1 3.88Å; L518-V534 HydrophobicContact CD2-CG1 3.75Å; L518-V534 HydrophobicContact CG-CG1 3.74Å; T532-V534 PolarHBondContact O-N 3.34Å; V534-I545 HydrophobicContact CB-CD1 4.29Å; V534-I545 PolarHBondContact O-N 2.81Å; V534-I545 VanDerWaalsContact O-N 3.14Å
535V36.8Very low34.6Very low27 Ų2760.7 Ų60.716%0.16436%0.363CS..EExtended strand (participates in β ladder)trans-99.5109.1173.6177.70000107.5F519 A533 L542 V543F519-V535 HydrophobicContact CB-CB 4.24Å; F519-V535 PolarHBondContact N-O 2.87Å; F519-V535 PolarHBondContact O-N 2.84Å; A533-V535 PolarHBondContact O-N 2.86Å; V535-L542 HydrophobicContact CG1-CD2 3.18Å; V535-L542 HydrophobicContact CG1-CG 4.47Å; V535-V543 WeakPolarHBondContact CA-O 3.49Å
536M38.5Very low35.6Very low19 Ų1959.5 Ų59.59%0.09436%0.363CS..EExtended strand (participates in β ladder)trans-92.2116169-89-178.1-78.300108.6I507 L516 L518 V538 V543 I545I507-M536 HydrophobicContact CD1-SD 4.16Å; L516-M536 HydrophobicContact CD2-CB 4.14Å; L516-M536 HydrophobicContact CD2-CG 3.96Å; L516-M536 HydrophobicContact CD2-SD 4.17Å; L518-M536 HydrophobicContact CD1-CG 3.45Å; L518-M536 VanDerWaalsContact CD1-CG 3.45Å; L518-M536 HydrophobicContact CD1-SD 4.25Å; M536-V538 HydrophobicContact CB-CG2 4.42Å; M536-V538 PolarHBondContact O-N 2.92Å; M536-V543 HydrophobicContact CB-CB 4.41Å; M536-V543 PolarHBondContact N-O 3.38Å; M536-V543 PolarHBondContact O-N 2.75Å; M536-I545 HydrophobicContact CE-CD1 4.02Å
537A35.3Very low37.2Very low21 Ų2154.6 Ų54.617%0.17435%0.346CS..EExtended strand (participates in β ladder)trans-84.1105.1165.600000108.3L516 K517L516-A537 WeakPolarHBondContact CA-O 3.29Å; K517-A537 PolarHBondContact O-N 3.21Å; K517-A537 VanDerWaalsContact O-N 3.08Å
538V36.6Very low39.2Very low15 Ų1556.4 Ų56.49%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-106.792.2171.2-173.20000106.5Y511 L516 M536 S541Y511-V538 VanDerWaalsContact CB-CG1 3.48Å; Y511-V538 HydrophobicContact CD1-CG1 4.29Å; Y511-V538 HydrophobicContact CD2-CG1 4.02Å; Y511-V538 HydrophobicContact CG-CG1 3.67Å; L516-V538 HydrophobicContact CD1-CG2 4.42Å; L516-V538 HydrophobicContact CD2-CG2 3.67Å; L516-V538 HydrophobicContact CG-CG2 4.07Å; M536-V538 HydrophobicContact CB-CG2 4.42Å; M536-V538 PolarHBondContact O-N 2.92Å; V538-S541 PolarHBondContact N-O 3.23Å; V538-S541 PolarHBondContact O-N 3.03Å; V538-S541 PolarHBondContact O-OG 2.85Å
539G39.7Very low41.8Very low38 Ų3862.7 Ų62.739%0.39238%0.375SS..THydrogen-bonded Turntrans58.9-140-17100000112.2S513 S541S513-G539 WeakPolarHBondContact OG-CA 3.31Å; S513-G539 PolarHBondContact OG-N 2.86Å; S513-G539 VanDerWaalsContact OG-N 3.15Å; G539-S541 PolarHBondContact O-N 3.47Å; G539-S541 VanDerWaalsContact O-N 3.13Å
540S36.4Very low44.9Very low137 Ų13762.7 Ų62.796%0.95837%0.368SS*.THydrogen-bonded Turntrans-72.14.6178.749.70000114.6
541S33.1Very low48Very low49 Ų4963.2 Ų63.234%0.34337%0.368SS..EExtended strand (participates in β ladder)trans-110.3119.8-179.117.80000111.5V538 G539V538-S541 PolarHBondContact N-O 3.23Å; V538-S541 PolarHBondContact O-N 3.03Å; V538-S541 PolarHBondContact O-OG 2.85Å; G539-S541 PolarHBondContact O-N 3.47Å; G539-S541 VanDerWaalsContact O-N 3.13Å
542L35.2Very low51.1Low129 Ų12962.3 Ų62.368%0.67536%0.361SS*.EExtended strand (participates in β ladder)trans-89.4113.7171.4-76.8154000109.2V535V535-L542 HydrophobicContact CG1-CD2 3.18Å; V535-L542 HydrophobicContact CG1-CG 4.47Å
543V37.3Very low54Low74 Ų7462.2 Ų62.245%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-90.2111.1167.5-177.40000107.6V535 M536V535-V543 WeakPolarHBondContact CA-O 3.49Å; M536-V543 HydrophobicContact CB-CB 4.41Å; M536-V543 PolarHBondContact N-O 3.38Å; M536-V543 PolarHBondContact O-N 2.75Å
544R39.5Very low57Low184 Ų18462 Ų6269%0.69436%0.356SS*.EExtended strand (participates in β ladder)trans-97107.8175.6-166.8177.4-173.7-173.5-0.8108.3A533 S546A533-R544 HydrophobicContact CB-CG 4.38Å; R544-S546 PolarHBondContact O-N 3.19Å; R544-S546 VanDerWaalsContact O-N 3.15Å
545I46.1Very low59.7Low66 Ų6662.6 Ų62.634%0.33836%0.36SS..  trans-77.8100.3170.3-54.5-179.1000106.6A533 V534 M536A533-I545 WeakPolarHBondContact CA-O 3.33Å; V534-I545 HydrophobicContact CB-CD1 4.29Å; V534-I545 PolarHBondContact O-N 2.81Å; V534-I545 VanDerWaalsContact O-N 3.14Å; M536-I545 HydrophobicContact CE-CD1 4.02Å
546S52Low62.5Low77 Ų7762.1 Ų62.154%0.53836%0.355SS..PPolyproline II helixtrans-80144.1172.3-63.40000109.3R544R544-S546 PolarHBondContact O-N 3.19Å; R544-S546 VanDerWaalsContact O-N 3.15Å
547P62.6Low65.3Low73 Ų7361.7 Ų61.747%0.47435%0.353SS..PPolyproline II helixtrans-57.7143.6172.324.5-32.7000109.9A531 K549A531-P547 HydrophobicContact CB-CG 4.08Å; P547-K549 PolarHBondContact O-N 3.41Å
548P71.9Confident68.1Low84 Ų8463.1 Ų63.155%0.54536%0.356SS..PPolyproline II helixtrans-60137.7179.324.9-32.7000110Y429Y429-P548 HydrophobicContact CD1-CB 4.13Å; Y429-P548 HydrophobicContact CD1-CG 3.8Å; Y429-P548 HydrophobicContact CE1-CB 3.54Å; Y429-P548 HydrophobicContact CE1-CG 3.75Å; Y429-P548 HydrophobicContact CE2-CB 4.5Å; Y429-P548 HydrophobicContact CG-CG 4.41Å
549K83.5Confident70.8Confident163 Ų16362.4 Ų62.471%0.70935%0.351SS*.PPolyproline II helixtrans-99.3124.7175.3-170.6-179-180-172.50109Q436 P547 T551Q436-K549 PolarHBondContact NE2-O 2.94Å; Q436-K549 VanDerWaalsContact NE2-O 3.11Å; P547-K549 PolarHBondContact O-N 3.41Å; K549-T551 WeakPolarHBondContact CE-OG1 3.37Å
550F91.9Very high73.3Confident43 Ų4361.2 Ų61.219%0.18934%0.336CS..  trans-108.5126.9170-173.8-88.2000108.8Y429 Q436 L438 F451 L453 A552Y429-F550 HydrophobicContact CE2-CB 4.31Å; Y429-F550 HydrophobicContact CE2-CD2 4.11Å; Q436-F550 HydrophobicContact CB-CD2 3.77Å; Q436-F550 HydrophobicContact CB-CE2 3.83Å; L438-F550 HydrophobicContact CB-CD1 4.14Å; L438-F550 HydrophobicContact CB-CD2 3.88Å; L438-F550 HydrophobicContact CB-CE1 4.1Å; L438-F550 HydrophobicContact CB-CE2 3.84Å; L438-F550 HydrophobicContact CB-CG 4.02Å; L438-F550 HydrophobicContact CB-CZ 3.95Å; L438-F550 HydrophobicContact CD2-CB 4.43Å; L438-F550 HydrophobicContact CD2-CD1 3.55Å; L438-F550 HydrophobicContact CD2-CE1 3.87Å; L438-F550 HydrophobicContact CD2-CG 3.98Å; L438-F550 HydrophobicContact CG-CD1 4.46Å; F451-F550 HydrophobicContact CB-CE1 4.04Å; F451-F550 HydrophobicContact CB-CZ 3.61Å; L453-F550 HydrophobicContact CB-CE2 3.64Å; L453-F550 HydrophobicContact CB-CZ 3.66Å; L453-F550 HydrophobicContact CD2-CD2 4.43Å; L453-F550 HydrophobicContact CD2-CE1 4.47Å; L453-F550 HydrophobicContact CD2-CE2 4.02Å; L453-F550 HydrophobicContact CD2-CZ 4.04Å; L453-F550 HydrophobicContact CG-CZ 4.45Å; F550-A552 HydrophobicContact CE1-CB 3.98Å
551T93.9Very high75.9Confident40 Ų4054.9 Ų54.925%0.24529%0.291CS..  trans-141.5104.1-179.3-58.70000109.4M420 L453 K549 D553M420-T551 HydrophobicContact CE-CG2 4.45Å; M420-T551 HydrophobicContact SD-CG2 3.99Å; L453-T551 WeakPolarHBondContact CD2-O 3.25Å; K549-T551 WeakPolarHBondContact CE-OG1 3.37Å; T551-D553 HydrophobicContact CG2-CB 4.04Å; T551-D553 PolarHBondContact O-N 3.18Å
552A94.6Very high78.3Confident21 Ų2153.7 Ų53.717%0.17428%0.281CS..  trans-80.861.9179.700000111.7M420 F550 F556M420-A552 WeakPolarHBondContact CE-O 3.26Å; F550-A552 HydrophobicContact CE1-CB 3.98Å; A552-F556 HydrophobicContact CB-CD1 3.7Å; A552-F556 HydrophobicContact CB-CE1 3.71Å; A552-F556 HydrophobicContact CB-CG 4.41Å; A552-F556 HydrophobicContact CB-CZ 4.43Å
553D95.7Very high80.2Confident27 Ų2753.6 Ų53.614%0.14427%0.272CS..  trans-90.99.5179.769.4-16.4000113.9F408 Y409 M420 R457 T551F408-D553 CarbonylContact C-O 3.57Å; F408-D553 VanDerWaalsContact CA-O 3.27Å; F408-D553 WeakPolarHBondContact CA-O 3.17Å; Y409-D553 WeakPolarHBondContact CD2-O 3.39Å; Y409-D553 PolarHBondContact N-O 2.92Å; M420-D553 HydrophobicContact CE-CB 4.07Å; R457-D553 IonicContact NH2-OD2 3.47Å; R457-D553 PolarHBondContact NH2-OD2 3.04Å; T551-D553 HydrophobicContact CG2-CB 4.04Å; T551-D553 PolarHBondContact O-N 3.18Å
554H96.8Very high82Confident10 Ų1053.5 Ų53.55%0.04628%0.275CS..SBendtrans-156.6168.2179.760.2-84.8000110.2L453 P454 R457 F556L453-H554 WeakPolarHBondContact CD1-NE2 3.37Å; P454-H554 PolarHBondContact O-CE1 2.97Å; P454-H554 PolarHBondContact O-NE2 2.66Å; R457-H554 HydrophobicContact CG-CB 3.88Å; R457-H554 PolarHBondContact O-CD2 3.07Å; H554-F556 WeakPolarHBondContact O-CD1 3.41Å; H554-F556 PolarHBondContact O-N 3.41Å
555P96.9Very high83.6Confident18 Ų1850 Ų5012%0.11727%0.269CS..  trans-51133.9-170.2-31.434.9000114.5F408 Y409 V410 P454 H460 Y574F408-P555 HydrophobicContact CE1-CG 4.33Å; F408-P555 HydrophobicContact CZ-CG 4.38Å; Y409-P555 WeakPolarHBondContact O-CD 3.39Å; V410-P555 WeakPolarHBondContact O-CG 3.44Å; P454-P555 WeakPolarHBondContact CD-O 3.42Å; H460-P555 HydrophobicContact CB-CB 3.94Å; P555-Y574 VanDerWaalsContact CA-O 3.32Å; P555-Y574 WeakPolarHBondContact CA-O 3.22Å
556F95.7Very high84.9Confident17 Ų1748.8 Ų48.88%0.07527%0.274CS..  trans-143.7153.6-176.261.7-95.3000110.9F408 F451 V452 L453 A552 H554 F558 Y574F408-F556 HydrophobicContact CE2-CD1 4.33Å; F408-F556 HydrophobicContact CE2-CE1 4.1Å; F451-F556 AromaticContact CD1-CD2 3.83Å; F451-F556 HydrophobicContact CD1-CD2 3.83Å; F451-F556 AromaticContact CD1-CE2 3.52Å; F451-F556 HydrophobicContact CD1-CE2 3.52Å; F451-F556 HydrophobicContact CD1-CZ 4.24Å; F451-F556 AromaticContact CE1-CE2 3.83Å; F451-F556 HydrophobicContact CE1-CE2 3.83Å; F451-F556 HydrophobicContact CE1-CZ 4.32Å; V452-F556 WeakPolarHBondContact O-CB 3.05Å; L453-F556 HydrophobicContact CB-CB 4.46Å; L453-F556 HydrophobicContact CD1-CB 3.73Å; A552-F556 HydrophobicContact CB-CD1 3.7Å; A552-F556 HydrophobicContact CB-CE1 3.71Å; A552-F556 HydrophobicContact CB-CG 4.41Å; A552-F556 HydrophobicContact CB-CZ 4.43Å; H554-F556 WeakPolarHBondContact O-CD1 3.41Å; H554-F556 PolarHBondContact O-N 3.41Å; F556-F558 HydrophobicContact CD2-CB 4.33Å; F556-F558 HydrophobicContact CE2-CB 4.16Å; F556-F558 HydrophobicContact CE2-CD1 4.08Å; F556-Y574 HydrophobicContact CD1-CD1 4.4Å; F556-Y574 AromaticContact CE1-CD1 3.54Å; F556-Y574 HydrophobicContact CE1-CD1 3.54Å; F556-Y574 HydrophobicContact CE1-CE1 4.42Å; F556-Y574 AromaticContact CE1-CG 3.97Å; F556-Y574 HydrophobicContact CE1-CG 3.97Å; F556-Y574 HydrophobicContact CE2-CG 4.35Å; F556-Y574 AromaticContact CZ-CD1 3.72Å; F556-Y574 HydrophobicContact CZ-CD1 3.72Å; F556-Y574 AromaticContact CZ-CG 3.69Å; F556-Y574 HydrophobicContact CZ-CG 3.69Å; F556-Y574 PolarHBondContact O-N 2.91Å; F556-Y574 VanDerWaalsContact O-N 3.1Å
557L96.3Very high86Confident9 Ų949.2 Ų49.25%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-89.3139.3170.2-171.579.3000109.1F451 V452 M463 M464 L467 L472 I571 G572F451-L557 CarbonylContact C-O 3.51Å; F451-L557 WeakPolarHBondContact CA-O 3.36Å; V452-L557 HydrophobicContact CB-CB 4.28Å; V452-L557 PolarHBondContact N-O 2.92Å; V452-L557 PolarHBondContact O-N 2.71Å; M463-L557 HydrophobicContact CE-CB 4.07Å; M464-L557 HydrophobicContact CE-CD1 4.23Å; M464-L557 HydrophobicContact SD-CD1 4.12Å; L467-L557 HydrophobicContact CD1-CD2 3.94Å; L472-L557 HydrophobicContact CD1-CD2 3.34Å; L472-L557 HydrophobicContact CD2-CD2 4.4Å; L557-I571 HydrophobicContact CD1-CD1 4.29Å; L557-I571 HydrophobicContact CD1-CG1 4.02Å; L557-I571 HydrophobicContact CD2-CD1 4.11Å; L557-I571 HydrophobicContact CD2-CG1 4.45Å; L557-I571 HydrophobicContact CG-CD1 4.48Å; L557-I571 HydrophobicContact CG-CG1 4.31Å; L557-G572 WeakPolarHBondContact CD1-O 3.28Å
558F95Very high87Confident51 Ų5148.3 Ų48.322%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-125.4151169.268.7-90.5000111.6M449 Y450 F451 F556 I571 G572M449-F558 HydrophobicContact CE-CB 3.76Å; M449-F558 HydrophobicContact CE-CD2 3.49Å; M449-F558 VanDerWaalsContact CE-CD2 3.49Å; M449-F558 HydrophobicContact CE-CE2 4.24Å; M449-F558 HydrophobicContact CE-CG 3.74Å; Y450-F558 CarbonylContact O-C 3.42Å; Y450-F558 WeakPolarHBondContact O-CA 3.22Å; Y450-F558 WeakPolarHBondContact O-CB 3.18Å; F451-F558 HydrophobicContact CD1-CB 4.27Å; F451-F558 HydrophobicContact CE1-CB 4.46Å; F556-F558 HydrophobicContact CD2-CB 4.33Å; F556-F558 HydrophobicContact CE2-CB 4.16Å; F556-F558 HydrophobicContact CE2-CD1 4.08Å; F558-I571 CarbonylContact O-C 3.44Å; F558-I571 WeakPolarHBondContact O-CA 3.27Å; F558-G572 VanDerWaalsContact CD1-O 3.3Å; F558-G572 WeakPolarHBondContact CD1-O 3.41Å; F558-G572 VanDerWaalsContact CE1-C 3.44Å; F558-G572 PolarHBondContact N-O 3.49Å; F558-G572 PolarHBondContact O-N 2.86Å
559A93.9Very high87.4Confident0 Ų047.4 Ų47.40%025%0.25CS..EExtended strand (participates in β ladder)trans-145140.7175.600000111.8M449 Y450 F476 V561 I568 F570 I571M449-A559 CarbonylContact C-O 3.56Å; M449-A559 WeakPolarHBondContact CA-O 3.47Å; Y450-A559 PolarHBondContact N-O 3.23Å; Y450-A559 PolarHBondContact O-N 2.75Å; F476-A559 HydrophobicContact CE1-CB 4.38Å; F476-A559 HydrophobicContact CE2-CB 3.9Å; F476-A559 HydrophobicContact CZ-CB 3.47Å; F476-A559 VanDerWaalsContact CZ-CB 3.47Å; A559-V561 HydrophobicContact CB-CG2 4.05Å; A559-I568 HydrophobicContact CB-CG2 4.18Å; A559-F570 CarbonylContact C-O 3.49Å; A559-F570 WeakPolarHBondContact CA-O 3.38Å; A559-F570 WeakPolarHBondContact CB-O 3.48Å; A559-I571 HydrophobicContact CB-CB 4.48Å; A559-I571 HydrophobicContact CB-CG1 4.32Å
560I92.2Very high87.5Confident13 Ų1342.4 Ų42.47%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-99.9119.1168.6-57.7176.5000107.2F390 Y442 L448 M449 L569 F570F390-I560 HydrophobicContact CD1-CD1 3.52Å; F390-I560 HydrophobicContact CE1-CD1 3.66Å; F390-I560 HydrophobicContact CE1-CG2 4.45Å; F390-I560 HydrophobicContact CE2-CG2 4.44Å; F390-I560 HydrophobicContact CG-CD1 4.19Å; F390-I560 HydrophobicContact CZ-CD1 4.42Å; F390-I560 HydrophobicContact CZ-CG2 4.21Å; Y442-I560 HydrophobicContact CE2-CG2 4.13Å; L448-I560 WeakPolarHBondContact O-CA 3.43Å; M449-I560 HydrophobicContact CB-CG1 4.44Å; M449-I560 HydrophobicContact CG-CG1 4.24Å; I560-L569 PolarHBondContact O-N 2.85Å; I560-F570 HydrophobicContact CB-CB 4.07Å; I560-F570 HydrophobicContact CB-CD2 4.08Å; I560-F570 HydrophobicContact CD1-CB 4.19Å; I560-F570 HydrophobicContact CD1-CD2 3.96Å; I560-F570 HydrophobicContact CD1-CG 4.21Å; I560-F570 HydrophobicContact CG1-CB 4.17Å; I560-F570 HydrophobicContact CG1-CD2 4.48Å; I560-F570 PolarHBondContact N-O 3.27Å; I560-F570 PolarHBondContact O-N 2.68Å
561V90Very high87.4Confident4 Ų445 Ų452%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-122.3132.3-170.9-175.20000109.7L447 L448 Y450 F476 A559 R563 I567 I568L447-V561 WeakPolarHBondContact CA-O 3.3Å; L448-V561 PolarHBondContact N-O 2.89Å; L448-V561 PolarHBondContact O-N 2.79Å; Y450-V561 HydrophobicContact CD2-CB 4Å; Y450-V561 HydrophobicContact CD2-CG2 3.71Å; Y450-V561 HydrophobicContact CE2-CB 3.95Å; Y450-V561 HydrophobicContact CE2-CG2 4.11Å; F476-V561 HydrophobicContact CD2-CG2 3.76Å; F476-V561 HydrophobicContact CE2-CG2 3.71Å; F476-V561 HydrophobicContact CZ-CG2 4.48Å; A559-V561 HydrophobicContact CB-CG2 4.05Å; V561-R563 PolarHBondContact O-N 3.28Å; V561-I567 WeakPolarHBondContact CA-O 3.04Å; V561-I568 HydrophobicContact CG2-CG1 4.15Å
562D83.7Confident87.2Confident25 Ų2544 Ų4413%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-83.199.9162.5-179.4-1.9000109L447 S564 N565 G566 I567 L569L447-D562 HydrophobicContact CD2-CB 3.74Å; D562-S564 PolarHBondContact O-N 3.18Å; D562-S564 WeakPolarHBondContact OD1-CB 3.41Å; D562-S564 PolarHBondContact OD1-N 2.75Å; D562-S564 PolarHBondContact OD1-OG 2.85Å; D562-S564 PolarHBondContact OD2-OG 2.96Å; D562-N565 PolarHBondContact O-N 2.94Å; D562-N565 PolarHBondContact OD2-ND2 3.11Å; D562-G566 PolarHBondContact O-N 3.07Å; D562-I567 PolarHBondContact N-O 3.12Å; D562-I567 PolarHBondContact O-N 3.44Å; D562-L569 HydrophobicContact CB-CD1 4.45Å
563R75.9Confident87Confident127 Ų12747.1 Ų47.148%0.47925%0.254SS..THydrogen-bonded Turntrans-63.2-25.9179.5-84.1-152.1-56.5-179.30.1113K446 L448 Y450 V561 N565K446-R563 PolarHBondContact O-N 3.41Å; L448-R563 HydrophobicContact CD1-CG 4.09Å; Y450-R563 WeakPolarHBondContact OH-CD 3.34Å; V561-R563 PolarHBondContact O-N 3.28Å; R563-N565 PolarHBondContact O-N 2.87Å
564S75Confident86.7Confident72 Ų7251.8 Ų51.850%0.50327%0.271SS..THydrogen-bonded Turntrans-69.7-25.2-178.666.90000112.6D562D562-S564 PolarHBondContact O-N 3.18Å; D562-S564 WeakPolarHBondContact OD1-CB 3.41Å; D562-S564 PolarHBondContact OD1-N 2.75Å; D562-S564 PolarHBondContact OD1-OG 2.85Å; D562-S564 PolarHBondContact OD2-OG 2.96Å
565N71.9Confident86.1Confident109 Ų10953.9 Ų53.958%0.58328%0.282SS*.THydrogen-bonded Turntrans-118.1-5.1-178.5-64-63.7000113.8D562 R563 I567D562-N565 PolarHBondContact O-N 2.94Å; D562-N565 PolarHBondContact OD2-ND2 3.11Å; R563-N565 PolarHBondContact O-N 2.87Å; N565-I567 VanDerWaalsContact C-N 3.26Å; N565-I567 HydrophobicContact CB-CB 4.42Å; N565-I567 HydrophobicContact CB-CD1 3.61Å; N565-I567 HydrophobicContact CB-CG1 3.74Å; N565-I567 PolarHBondContact O-N 3.01Å
566G72.9Confident85.6Confident42 Ų4255.8 Ų55.843%0.43329%0.291SS..THydrogen-bonded Turntrans65.627.8-173.500000113.2D562D562-G566 PolarHBondContact O-N 3.07Å
567I75.6Confident85Confident85 Ų8557.9 Ų57.944%0.43630%0.303SS..EExtended strand (participates in β ladder)trans-103125.8-173.3-62.8174.5000110.2V561 D562 N565 L569V561-I567 WeakPolarHBondContact CA-O 3.04Å; D562-I567 PolarHBondContact N-O 3.12Å; D562-I567 PolarHBondContact O-N 3.44Å; N565-I567 VanDerWaalsContact C-N 3.26Å; N565-I567 HydrophobicContact CB-CB 4.42Å; N565-I567 HydrophobicContact CB-CD1 3.61Å; N565-I567 HydrophobicContact CB-CG1 3.74Å; N565-I567 PolarHBondContact O-N 3.01Å; I567-L569 HydrophobicContact CG2-CD2 4.11Å; I567-L569 PolarHBondContact O-N 3.12Å
568I84.1Confident84.4Confident55 Ų5560.8 Ų60.828%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-81.5110.7169.5-57.6168.2000108.4L472 L473 F476 A559 V561 F570 I571L472-I568 HydrophobicContact CD2-CD1 3.72Å; L473-I568 HydrophobicContact CD2-CD1 4.19Å; L473-I568 HydrophobicContact CD2-CG1 4.18Å; F476-I568 HydrophobicContact CE2-CD1 4.13Å; F476-I568 HydrophobicContact CE2-CG1 4.24Å; A559-I568 HydrophobicContact CB-CG2 4.18Å; V561-I568 HydrophobicContact CG2-CG1 4.15Å; I568-F570 VanDerWaalsContact CG2-O 3.32Å; I568-F570 WeakPolarHBondContact CG2-O 3.46Å; I568-I571 HydrophobicContact CG2-CB 3.97Å
569L80.4Confident83.7Confident65 Ų6561.4 Ų61.434%0.3432%0.324SS..EExtended strand (participates in β ladder)trans-81.8-40.2179.2-63.4176.1000111.8L447 I560 D562 I567L447-L569 HydrophobicContact CD2-CD1 3.68Å; I560-L569 PolarHBondContact O-N 2.85Å; D562-L569 HydrophobicContact CB-CD1 4.45Å; I567-L569 HydrophobicContact CG2-CD2 4.11Å; I567-L569 PolarHBondContact O-N 3.12Å
570F86.1Confident83Confident57 Ų5765.5 Ų65.525%0.2535%0.345CS..EExtended strand (participates in β ladder)trans-136.4142.2176.8-63.9-97.9000108.8I388 F390 A559 I560 I568I388-F570 HydrophobicContact CB-CE1 4.06Å; I388-F570 HydrophobicContact CB-CE2 4.43Å; I388-F570 HydrophobicContact CB-CZ 3.61Å; I388-F570 HydrophobicContact CG2-CE1 4.29Å; I388-F570 HydrophobicContact CG2-CE2 3.79Å; I388-F570 HydrophobicContact CG2-CZ 3.36Å; I388-F570 WeakPolarHBondContact O-CE1 3.46Å; I388-F570 WeakPolarHBondContact O-CZ 3.41Å; F390-F570 HydrophobicContact CB-CD2 4.31Å; F390-F570 HydrophobicContact CB-CE1 4.46Å; F390-F570 HydrophobicContact CB-CE2 3.41Å; F390-F570 VanDerWaalsContact CB-CE2 3.41Å; F390-F570 HydrophobicContact CB-CZ 3.48Å; F390-F570 VanDerWaalsContact CB-CZ 3.48Å; F390-F570 HydrophobicContact CD2-CE2 4.41Å; F390-F570 HydrophobicContact CG-CE2 4.01Å; A559-F570 CarbonylContact C-O 3.49Å; A559-F570 WeakPolarHBondContact CA-O 3.38Å; A559-F570 WeakPolarHBondContact CB-O 3.48Å; I560-F570 HydrophobicContact CB-CB 4.07Å; I560-F570 HydrophobicContact CB-CD2 4.08Å; I560-F570 HydrophobicContact CD1-CB 4.19Å; I560-F570 HydrophobicContact CD1-CD2 3.96Å; I560-F570 HydrophobicContact CD1-CG 4.21Å; I560-F570 HydrophobicContact CG1-CB 4.17Å; I560-F570 HydrophobicContact CG1-CD2 4.48Å; I560-F570 PolarHBondContact N-O 3.27Å; I560-F570 PolarHBondContact O-N 2.68Å; I568-F570 VanDerWaalsContact CG2-O 3.32Å; I568-F570 WeakPolarHBondContact CG2-O 3.46Å
571I89.9Confident82.4Confident98 Ų9869.3 Ų69.350%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-139.3137.6168.2-169.3168.9000107.7L472 L557 F558 A559 I568L472-I571 HydrophobicContact CD2-CD1 3.61Å; L557-I571 HydrophobicContact CD1-CD1 4.29Å; L557-I571 HydrophobicContact CD1-CG1 4.02Å; L557-I571 HydrophobicContact CD2-CD1 4.11Å; L557-I571 HydrophobicContact CD2-CG1 4.45Å; L557-I571 HydrophobicContact CG-CD1 4.48Å; L557-I571 HydrophobicContact CG-CG1 4.31Å; F558-I571 CarbonylContact O-C 3.44Å; F558-I571 WeakPolarHBondContact O-CA 3.27Å; A559-I571 HydrophobicContact CB-CB 4.48Å; A559-I571 HydrophobicContact CB-CG1 4.32Å; I568-I571 HydrophobicContact CG2-CB 3.97Å
572G89.1Confident81.8Confident18 Ų1874.3 Ų74.319%0.18639%0.391CS..EExtended strand (participates in β ladder)trans-152.1159.4-178.900000111.2L557 F558L557-G572 WeakPolarHBondContact CD1-O 3.28Å; F558-G572 VanDerWaalsContact CD1-O 3.3Å; F558-G572 WeakPolarHBondContact CD1-O 3.41Å; F558-G572 VanDerWaalsContact CE1-C 3.44Å; F558-G572 PolarHBondContact N-O 3.49Å; F558-G572 PolarHBondContact O-N 2.86Å
573D89.6Confident81.6Confident87 Ų8778.4 Ų78.447%0.46541%0.413SS..EExtended strand (participates in β ladder)trans-113.1135.9175.1-168.42.9000107.2H460H460-D573 IonicContact CD2-OD2 3.84Å; H460-D573 IonicContact CE1-OD1 2.94Å; H460-D573 PolarHBondContact CE1-OD1 2.57Å; H460-D573 IonicContact CE1-OD2 3.58Å; H460-D573 IonicContact NE2-OD1 2.84Å; H460-D573 PolarHBondContact NE2-OD1 2.72Å; H460-D573 IonicContact NE2-OD2 2.77Å; H460-D573 PolarHBondContact NE2-OD2 2.7Å
574Y88.8Confident82.1Confident126 Ų12674 Ų7449%0.49441%0.407SS..  trans-117.40-175.4-174-88000113.2F408 P555 F556F408-Y574 HydrophobicContact CD2-CE1 4.27Å; F408-Y574 HydrophobicContact CE1-CE1 4.43Å; F408-Y574 AromaticContact CE2-CD1 3.78Å; F408-Y574 HydrophobicContact CE2-CD1 3.78Å; F408-Y574 AromaticContact CE2-CE1 3.8Å; F408-Y574 HydrophobicContact CE2-CE1 3.8Å; F408-Y574 AromaticContact CZ-CD1 3.67Å; F408-Y574 HydrophobicContact CZ-CD1 3.67Å; F408-Y574 AromaticContact CZ-CE1 3.87Å; F408-Y574 HydrophobicContact CZ-CE1 3.87Å; P555-Y574 VanDerWaalsContact CA-O 3.32Å; P555-Y574 WeakPolarHBondContact CA-O 3.22Å; F556-Y574 HydrophobicContact CD1-CD1 4.4Å; F556-Y574 AromaticContact CE1-CD1 3.54Å; F556-Y574 HydrophobicContact CE1-CD1 3.54Å; F556-Y574 HydrophobicContact CE1-CE1 4.42Å; F556-Y574 AromaticContact CE1-CG 3.97Å; F556-Y574 HydrophobicContact CE1-CG 3.97Å; F556-Y574 HydrophobicContact CE2-CG 4.35Å; F556-Y574 AromaticContact CZ-CD1 3.72Å; F556-Y574 HydrophobicContact CZ-CD1 3.72Å; F556-Y574 AromaticContact CZ-CG 3.69Å; F556-Y574 HydrophobicContact CZ-CG 3.69Å; F556-Y574 PolarHBondContact O-N 2.91Å; F556-Y574 VanDerWaalsContact O-N 3.1Å

Retrieved 574 of 574 residues in 1118.2 ms (Link to these results)

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