A0A077Z1Z4_TRITR Loading...

Serpin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1Z4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 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
1M55.6Low85.4Confident102 Ų10227.5 Ų27.550%0.50215%0.153SC..  0115.50-172.7178.9-75.900106.9I5 E57M1-I5 HydrophobicContact CE-CG2 3.73Å; M1-I5 HydrophobicContact CG-CB 3.37Å; M1-I5 HydrophobicContact CG-CD1 4.33Å; M1-I5 HydrophobicContact CG-CG1 4.41Å; M1-I5 HydrophobicContact CG-CG2 3.42Å; M1-I5 VanDerWaalsContact CG-CG2 3.42Å; M1-I5 HydrophobicContact SD-CB 3.91Å; M1-I5 HydrophobicContact SD-CG2 3.43Å; M1-I5 WeakPolarHBondContact SD-CG2 3.28Å; M1-E57 WeakPolarHBondContact CA-OE1 3.42Å; M1-E57 VanDerWaalsContact CA-OE2 3.29Å; M1-E57 WeakPolarHBondContact CA-OE2 3.36Å; M1-E57 HydrophobicContact CB-CB 4.25Å; M1-E57 HydrophobicContact CB-CG 4.05Å; M1-E57 WeakPolarHBondContact CB-OE1 3.45Å; M1-E57 WeakPolarHBondContact CB-OE2 3.45Å; M1-E57 PolarHBondContact N-OE1 3.12Å; M1-E57 PolarHBondContact N-OE2 3.42Å
2S74.1Confident86.3Confident64 Ų6425.8 Ų25.845%0.44814%0.143SC..  trans-64.1159.8177.441.30000111.6D4 I5 S6S2-D4 VanDerWaalsContact C-OD1 3.24Å; S2-D4 WeakPolarHBondContact CB-OD1 3.35Å; S2-D4 PolarHBondContact O-N 3.39Å; S2-D4 PolarHBondContact OG-OD1 3.07Å; S2-I5 PolarHBondContact O-N 3.03Å; S2-S6 PolarHBondContact O-N 3.04Å; S2-S6 VanDerWaalsContact O-N 3.09Å
3L75.8Confident87Confident26 Ų2628.3 Ų28.314%0.13615%0.149CC..Hα-helixtrans-50.9-42.9-177.2179.270.3000112.5I5 S6 T7 L68L3-I5 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-N 3.21Å; L3-T7 HydrophobicContact CD1-CG2 3.9Å; L3-T7 HydrophobicContact CG-CG2 4.03Å; L3-T7 WeakPolarHBondContact O-CB 3.23Å; L3-T7 VanDerWaalsContact O-CG2 3.25Å; L3-T7 WeakPolarHBondContact O-CG2 3.39Å; L3-T7 PolarHBondContact O-N 3.06Å; L3-T7 PolarHBondContact O-OG1 3.38Å; L3-L68 HydrophobicContact CB-CD1 4.13Å; L3-L68 HydrophobicContact CB-CD2 4.04Å; L3-L68 HydrophobicContact CB-CG 4.48Å; L3-L68 HydrophobicContact CD1-CB 3.93Å; L3-L68 HydrophobicContact CD1-CD1 4.14Å; L3-L68 HydrophobicContact CD1-CG 4.5Å; L3-L68 HydrophobicContact CD2-CB 3.77Å; L3-L68 HydrophobicContact CD2-CD2 3.99Å; L3-L68 HydrophobicContact CD2-CG 4.34Å; L3-L68 HydrophobicContact CG-CB 4.29Å; L3-L68 HydrophobicContact CG-CD2 4.47Å
4D85.5Confident87.6Confident14 Ų1426.3 Ų26.38%0.07514%0.138CC..Hα-helixtrans-54.9-47.2176.858.9-16.4000112.9S2 T7 A8 L250 R363S2-D4 VanDerWaalsContact C-OD1 3.24Å; S2-D4 WeakPolarHBondContact CB-OD1 3.35Å; S2-D4 PolarHBondContact O-N 3.39Å; S2-D4 PolarHBondContact OG-OD1 3.07Å; D4-T7 WeakPolarHBondContact CA-OG1 3.2Å; D4-T7 PolarHBondContact O-OG1 3.36Å; D4-A8 WeakPolarHBondContact O-CB 3.05Å; D4-A8 PolarHBondContact O-N 2.75Å; D4-L250 HydrophobicContact CB-CD1 4.19Å; D4-R363 HydrophobicContact CB-CB 3.53Å; D4-R363 WeakPolarHBondContact OD2-CD 3.42Å; D4-R363 IonicContact OD2-CZ 2.79Å; D4-R363 IonicContact OD2-NE 2.69Å; D4-R363 IonicContact OD2-NH1 3.75Å; D4-R363 PolarHBondContact OD2-NH1 2.95Å
5I89Confident88.1Confident36 Ų3625.4 Ų25.419%0.18513%0.132CC..Hα-helixtrans-70.8-39.3178.9-54.6171.7000109.9M1 S2 L3 T7 A8 D9 A246 L250M1-I5 HydrophobicContact CE-CG2 3.73Å; M1-I5 HydrophobicContact CG-CB 3.37Å; M1-I5 HydrophobicContact CG-CD1 4.33Å; M1-I5 HydrophobicContact CG-CG1 4.41Å; M1-I5 HydrophobicContact CG-CG2 3.42Å; M1-I5 VanDerWaalsContact CG-CG2 3.42Å; M1-I5 HydrophobicContact SD-CB 3.91Å; M1-I5 HydrophobicContact SD-CG2 3.43Å; M1-I5 WeakPolarHBondContact SD-CG2 3.28Å; S2-I5 PolarHBondContact O-N 3.03Å; L3-I5 PolarHBondContact O-N 3.23Å; I5-T7 PolarHBondContact O-N 2.89Å; I5-A8 PolarHBondContact O-N 3.03Å; I5-D9 VanDerWaalsContact O-CB 3.27Å; I5-D9 WeakPolarHBondContact O-CB 3.26Å; I5-D9 PolarHBondContact O-N 3.1Å; I5-A246 HydrophobicContact CG2-CB 3.72Å; I5-A246 WeakPolarHBondContact O-CB 3.45Å; I5-L250 HydrophobicContact CG1-CD1 4.05Å
6S88.3Confident88.6Confident3 Ų329.4 Ų29.42%0.02115%0.15CC..Hα-helixtrans-63.7-41.4177-173.60000112.2S2 L3 D9 F10 F56 E57S2-S6 PolarHBondContact O-N 3.04Å; S2-S6 VanDerWaalsContact O-N 3.09Å; L3-S6 PolarHBondContact O-N 3.21Å; S6-D9 PolarHBondContact O-N 3.36Å; S6-F10 WeakPolarHBondContact O-CB 3.49Å; S6-F10 PolarHBondContact O-N 3.31Å; S6-F56 WeakPolarHBondContact OG-CA 3.43Å; S6-E57 PolarHBondContact OG-N 2.81Å
7T90.9Very high88.9Confident6 Ų631.6 Ų31.64%0.03716%0.16CC..Hα-helixtrans-72-37.5178.254.40000111.6L3 D4 I5 F10 A11 L33L3-T7 HydrophobicContact CD1-CG2 3.9Å; L3-T7 HydrophobicContact CG-CG2 4.03Å; L3-T7 WeakPolarHBondContact O-CB 3.23Å; L3-T7 VanDerWaalsContact O-CG2 3.25Å; L3-T7 WeakPolarHBondContact O-CG2 3.39Å; L3-T7 PolarHBondContact O-N 3.06Å; L3-T7 PolarHBondContact O-OG1 3.38Å; D4-T7 WeakPolarHBondContact CA-OG1 3.2Å; D4-T7 PolarHBondContact O-OG1 3.36Å; I5-T7 PolarHBondContact O-N 2.89Å; T7-F10 PolarHBondContact O-N 3.3Å; T7-A11 WeakPolarHBondContact O-CB 3.4Å; T7-A11 PolarHBondContact O-N 3.24Å; T7-L33 HydrophobicContact CG2-CD2 3.58Å
8A94.6Very high89.2Confident0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-68-35173.100000112.6D4 I5 A11 L12 A246 L250 I365D4-A8 WeakPolarHBondContact O-CB 3.05Å; D4-A8 PolarHBondContact O-N 2.75Å; I5-A8 PolarHBondContact O-N 3.03Å; A8-A11 WeakPolarHBondContact O-CB 3.14Å; A8-A11 PolarHBondContact O-N 3.25Å; A8-L12 PolarHBondContact O-N 2.93Å; A8-A246 HydrophobicContact CB-CB 3.91Å; A8-L250 HydrophobicContact CB-CD1 3.97Å; A8-L250 HydrophobicContact CB-CD2 4.15Å; A8-L250 HydrophobicContact CB-CG 3.95Å; A8-I365 HydrophobicContact CB-CD1 3.88Å
9D94.8Very high89.4Confident51 Ų5130.6 Ų30.627%0.27316%0.162SC..Hα-helixtrans-66.1-47.3173.4179.675.2000111.2I5 S6 A11 L12 R13 A246I5-D9 VanDerWaalsContact O-CB 3.27Å; I5-D9 WeakPolarHBondContact O-CB 3.26Å; I5-D9 PolarHBondContact O-N 3.1Å; S6-D9 PolarHBondContact O-N 3.36Å; D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 2.98Å; D9-L12 PolarHBondContact O-N 3.23Å; D9-R13 PolarHBondContact O-N 2.8Å; D9-R13 IonicContact OD1-NE 3.18Å; D9-R13 IonicContact OD2-CZ 2.61Å; D9-R13 IonicContact OD2-NE 2.6Å; D9-R13 PolarHBondContact OD2-NE 3.18Å; D9-R13 IonicContact OD2-NH2 3.69Å; D9-R13 PolarHBondContact OD2-NH2 3.4Å; D9-A246 HydrophobicContact CB-CB 3.82Å
10F94.7Very high89.3Confident1 Ų133.4 Ų33.40%0.00418%0.18CC..Hα-helixtrans-57.8-41.7172.9177.9-104000111.8S6 T7 T14 P29 I32 L33 L36 L55 L283S6-F10 WeakPolarHBondContact O-CB 3.49Å; S6-F10 PolarHBondContact O-N 3.31Å; T7-F10 PolarHBondContact O-N 3.3Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.44Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.25Å; F10-T14 VanDerWaalsContact O-CB 3.29Å; F10-T14 WeakPolarHBondContact O-CB 3.44Å; F10-T14 PolarHBondContact O-N 3.36Å; F10-T14 PolarHBondContact O-OG1 3.14Å; F10-P29 HydrophobicContact CD1-CB 4.47Å; F10-P29 WeakPolarHBondContact CE1-O 3.49Å; F10-I32 HydrophobicContact CE1-CB 4.31Å; F10-I32 HydrophobicContact CE1-CG2 4.08Å; F10-I32 HydrophobicContact CZ-CG2 3.84Å; F10-L33 HydrophobicContact CD1-CB 4.06Å; F10-L33 HydrophobicContact CD1-CD1 4.19Å; F10-L33 HydrophobicContact CE1-CB 3.94Å; F10-L33 HydrophobicContact CE1-CD1 4.35Å; F10-L33 HydrophobicContact CG-CD1 4.35Å; F10-L36 HydrophobicContact CE2-CD1 4.2Å; F10-L36 HydrophobicContact CZ-CD1 3.76Å; F10-L55 HydrophobicContact CD2-CD2 3.97Å; F10-L55 HydrophobicContact CE2-CD2 3.5Å; F10-L55 VanDerWaalsContact CE2-CD2 3.5Å; F10-L55 HydrophobicContact CZ-CD2 4.15Å; F10-L283 HydrophobicContact CE2-CD1 4.39Å
11A95.9Very high89.2Confident0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-59.2-50.2176.300000112.3T7 A8 D9 T14 Y15 P29 I365 M368T7-A11 WeakPolarHBondContact O-CB 3.4Å; T7-A11 PolarHBondContact O-N 3.24Å; A8-A11 WeakPolarHBondContact O-CB 3.14Å; A8-A11 PolarHBondContact O-N 3.25Å; D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 2.98Å; A11-T14 PolarHBondContact O-N 3.11Å; A11-Y15 VanDerWaalsContact O-CB 3.28Å; A11-Y15 WeakPolarHBondContact O-CB 3.39Å; A11-Y15 PolarHBondContact O-N 3.24Å; A11-P29 HydrophobicContact CB-CB 3.49Å; A11-P29 VanDerWaalsContact CB-CB 3.49Å; A11-P29 HydrophobicContact CB-CG 3.46Å; A11-P29 VanDerWaalsContact CB-CG 3.46Å; A11-I365 HydrophobicContact CB-CD1 4.46Å; A11-M368 VanDerWaalsContact C-CE 3.43Å; A11-M368 HydrophobicContact CB-CE 3.92Å; A11-M368 HydrophobicContact CB-SD 4.36Å; A11-M368 WeakPolarHBondContact O-CE 3.41Å
12L96.6Very high90.8Very high6 Ų632.8 Ų32.83%0.03119%0.188CC..Hα-helixtrans-64.4-45.9179.5-78.5170.9000112.1A8 D9 T14 Y15 H16 M241 L244 L249 M368A8-L12 PolarHBondContact O-N 2.93Å; D9-L12 PolarHBondContact O-N 3.23Å; L12-T14 PolarHBondContact O-N 3.22Å; L12-Y15 WeakPolarHBondContact O-CB 3.33Å; L12-Y15 PolarHBondContact O-N 2.97Å; L12-H16 PolarHBondContact O-CD2 3.09Å; L12-H16 PolarHBondContact O-N 2.78Å; L12-M241 HydrophobicContact CD2-CE 3.98Å; L12-L244 HydrophobicContact CD2-CB 4.43Å; L12-L249 HydrophobicContact CD1-CB 4.4Å; L12-L249 HydrophobicContact CD1-CD2 4.19Å; L12-L249 HydrophobicContact CD2-CD2 4.08Å; L12-L249 HydrophobicContact CG-CD2 4.07Å; L12-M368 HydrophobicContact CD2-CE 4.25Å; L12-M368 HydrophobicContact CD2-SD 4.43Å
13R95.8Very high91.6Very high59 Ų5933.5 Ų33.522%0.22318%0.184CC..Hα-helixtrans-61.7-45177.8-73.6-169.5-75.4120.3-0.1112D9 Y15 H16 E17 K54 L283D9-R13 PolarHBondContact O-N 2.8Å; D9-R13 IonicContact OD1-NE 3.18Å; D9-R13 IonicContact OD2-CZ 2.61Å; D9-R13 IonicContact OD2-NE 2.6Å; D9-R13 PolarHBondContact OD2-NE 3.18Å; D9-R13 IonicContact OD2-NH2 3.69Å; D9-R13 PolarHBondContact OD2-NH2 3.4Å; R13-Y15 VanDerWaalsContact C-N 3.31Å; R13-Y15 PolarHBondContact O-N 2.83Å; R13-H16 PolarHBondContact O-N 3.32Å; R13-E17 WeakPolarHBondContact O-CG 3.43Å; R13-E17 PolarHBondContact O-N 2.95Å; R13-E17 VanDerWaalsContact O-N 3.13Å; R13-K54 VanDerWaalsContact CZ-O 3.24Å; R13-K54 PolarHBondContact NH1-O 3.15Å; R13-K54 PolarHBondContact NH2-O 2.96Å; R13-L283 HydrophobicContact CB-CD2 3.7Å
14T95.4Very high92.5Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-63.4-40176.8-52.80000111.2F10 A11 L12 E17 A18 I27 I32 I279F10-T14 WeakPolarHBondContact CE2-OG1 3.44Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.25Å; F10-T14 VanDerWaalsContact O-CB 3.29Å; F10-T14 WeakPolarHBondContact O-CB 3.44Å; F10-T14 PolarHBondContact O-N 3.36Å; F10-T14 PolarHBondContact O-OG1 3.14Å; A11-T14 PolarHBondContact O-N 3.11Å; L12-T14 PolarHBondContact O-N 3.22Å; T14-E17 PolarHBondContact O-N 3.16Å; T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.06Å; T14-A18 VanDerWaalsContact O-N 3.12Å; T14-I27 HydrophobicContact CG2-CD1 3.64Å; T14-I32 HydrophobicContact CG2-CD1 4.23Å; T14-I279 HydrophobicContact CG2-CG2 4.35Å
15Y95Very high92.8Very high13 Ų1331.7 Ų31.75%0.05117%0.174CC..Hα-helixtrans-59.9-49173.7172.4-85.4000112A11 L12 R13 E17 A18 A19 F25 M241 M368 N370A11-Y15 VanDerWaalsContact O-CB 3.28Å; A11-Y15 WeakPolarHBondContact O-CB 3.39Å; A11-Y15 PolarHBondContact O-N 3.24Å; L12-Y15 WeakPolarHBondContact O-CB 3.33Å; L12-Y15 PolarHBondContact O-N 2.97Å; R13-Y15 VanDerWaalsContact C-N 3.31Å; R13-Y15 PolarHBondContact O-N 2.83Å; Y15-E17 PolarHBondContact O-N 2.9Å; Y15-A18 PolarHBondContact O-N 2.78Å; Y15-A18 VanDerWaalsContact O-N 3.14Å; Y15-A19 HydrophobicContact CD1-CB 4.28Å; Y15-A19 HydrophobicContact CD2-CB 4.22Å; Y15-A19 HydrophobicContact CE1-CB 3.89Å; Y15-A19 HydrophobicContact CE2-CB 3.86Å; Y15-A19 HydrophobicContact CG-CB 4.4Å; Y15-A19 WeakPolarHBondContact O-CB 3.31Å; Y15-A19 PolarHBondContact O-N 3Å; Y15-F25 HydrophobicContact CD2-CD1 4.04Å; Y15-F25 HydrophobicContact CD2-CE1 4.05Å; Y15-F25 AromaticContact CE2-CD1 3.99Å; Y15-F25 HydrophobicContact CE2-CD1 3.99Å; Y15-F25 HydrophobicContact CE2-CE1 4.46Å; Y15-M241 HydrophobicContact CD1-CE 3.54Å; Y15-M241 HydrophobicContact CE1-CB 4.47Å; Y15-M241 HydrophobicContact CE1-CE 3.3Å; Y15-M241 HydrophobicContact CE1-CG 4.02Å; Y15-M241 HydrophobicContact CE1-SD 4.33Å; Y15-M241 HydrophobicContact CE2-CE 4.49Å; Y15-M241 HydrophobicContact CG-CE 4.28Å; Y15-M368 VanDerWaalsContact CB-CE 3.42Å; Y15-M368 HydrophobicContact CD2-CE 4.18Å; Y15-M368 HydrophobicContact CG-CE 3.93Å; Y15-N370 WeakPolarHBondContact CE2-OD1 3.48Å; Y15-N370 VanDerWaalsContact OH-CG 3.31Å; Y15-N370 PolarHBondContact OH-OD1 2.97Å
16H95.4Very high93.1Very high89 Ų8930 Ų3041%0.41217%0.166SC..Hα-helixtrans-61.3-34.3-179.1-76-61.7000112.9L12 R13 M241L12-H16 PolarHBondContact O-CD2 3.09Å; L12-H16 PolarHBondContact O-N 2.78Å; R13-H16 PolarHBondContact O-N 3.32Å; H16-M241 PolarHBondContact CE1-O 2.87Å
17E94.6Very high93.4Very high68 Ų6829.9 Ų29.932%0.31817%0.165SC..Hα-helixtrans-80.4-18.3178.3-70.2-58.9152.600114.3R13 T14 Y15 I279 R282 L283R13-E17 WeakPolarHBondContact O-CG 3.43Å; R13-E17 PolarHBondContact O-N 2.95Å; R13-E17 VanDerWaalsContact O-N 3.13Å; T14-E17 PolarHBondContact O-N 3.16Å; Y15-E17 PolarHBondContact O-N 2.9Å; E17-I279 HydrophobicContact CB-CG2 3.82Å; E17-R282 HydrophobicContact CG-CB 4.36Å; E17-R282 PolarHBondContact O-NH2 2.8Å; E17-R282 WeakPolarHBondContact OE2-CB 3.36Å; E17-R282 WeakPolarHBondContact OE2-CD 3.41Å; E17-R282 IonicContact OE2-CZ 2.73Å; E17-R282 IonicContact OE2-NE 3.89Å; E17-R282 PolarHBondContact OE2-NE 2.98Å; E17-L283 HydrophobicContact CB-CD2 4.49Å; E17-L283 HydrophobicContact CG-CD2 3.61Å; E17-L283 HydrophobicContact CG-CG 3.99Å
18A93.6Very high93.6Very high13 Ų1329.6 Ų29.611%0.10716%0.163CC..Hα-helixtrans-113.1-27.8-172.100000114.1T14 Y15 F25 L274 I279T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.06Å; T14-A18 VanDerWaalsContact O-N 3.12Å; Y15-A18 PolarHBondContact O-N 2.78Å; Y15-A18 VanDerWaalsContact O-N 3.14Å; A18-F25 HydrophobicContact CB-CE1 3.99Å; A18-F25 HydrophobicContact CB-CE2 4.23Å; A18-F25 HydrophobicContact CB-CZ 3.4Å; A18-F25 VanDerWaalsContact CB-CZ 3.4Å; A18-L274 HydrophobicContact CB-CD1 4.21Å; A18-I279 HydrophobicContact CB-CD1 3.73Å; A18-I279 HydrophobicContact CB-CG1 4.3Å; A18-I279 HydrophobicContact CB-CG2 4.38Å
19A92.6Very high93.6Very high30 Ų3029.7 Ų29.725%0.24816%0.163CC..PPolyproline II helixtrans-68.5134.9-17600000111.5Y15 F25Y15-A19 HydrophobicContact CD1-CB 4.28Å; Y15-A19 HydrophobicContact CD2-CB 4.22Å; Y15-A19 HydrophobicContact CE1-CB 3.89Å; Y15-A19 HydrophobicContact CE2-CB 3.86Å; Y15-A19 HydrophobicContact CG-CB 4.4Å; Y15-A19 WeakPolarHBondContact O-CB 3.31Å; Y15-A19 PolarHBondContact O-N 3Å; A19-F25 HydrophobicContact CB-CD1 3.65Å; A19-F25 HydrophobicContact CB-CE1 4.02Å; A19-F25 HydrophobicContact CB-CG 4.34Å
20V89Confident93.5Very high87 Ų8727.4 Ų27.453%0.52715%0.151SC..PPolyproline II helixtrans-95129.8174-1780000109N22 H23V20-N22 PolarHBondContact O-N 3.49Å; V20-H23 HydrophobicContact CB-CB 4.27Å; V20-H23 HydrophobicContact CG1-CB 4.37Å; V20-H23 PolarHBondContact O-N 3.48Å
21A86.7Confident93.4Very high66 Ų6627.4 Ų27.455%0.54515%0.151SC..THydrogen-bonded Turntrans-55.7131.2-179.300000111.4H23A21-H23 VanDerWaalsContact C-N 3.25Å; A21-H23 PolarHBondContact O-CD2 2.71Å; A21-H23 PolarHBondContact O-N 2.88Å
22N88Confident93.4Very high56 Ų5627.4 Ų27.430%0.29915%0.151SC..THydrogen-bonded Turntrans63.719.3177.1-52.5-35.1000116.2V20 Q238 Y372V20-N22 PolarHBondContact O-N 3.49Å; N22-Q238 PolarHBondContact OD1-NE2 2.89Å; N22-Y372 HydrophobicContact CB-CD1 4.33Å; N22-Y372 HydrophobicContact CB-CE1 4.22Å
23H91.8Very high93.3Very high79 Ų7927.2 Ų27.237%0.36615%0.15SC..SBendtrans-122.1136173.2-75.7-96.8000110.9V20 A21 F25 N370 Y372 N374V20-H23 HydrophobicContact CB-CB 4.27Å; V20-H23 HydrophobicContact CG1-CB 4.37Å; V20-H23 PolarHBondContact O-N 3.48Å; A21-H23 VanDerWaalsContact C-N 3.25Å; A21-H23 PolarHBondContact O-CD2 2.71Å; A21-H23 PolarHBondContact O-N 2.88Å; H23-F25 PolarHBondContact O-N 3.42Å; H23-N370 PolarHBondContact O-ND2 3.22Å; H23-Y372 WeakPolarHBondContact O-CD2 3.22Å; H23-N374 PolarHBondContact ND1-ND2 3.22Å
24S94Very high93.1Very high0 Ų024.5 Ų24.50%014%0.14CC..  trans-54.2128.4171.3-66.30000108.8Y272 N370 Y371 Y372 N374S24-Y272 WeakPolarHBondContact O-CE2 3.37Å; S24-Y272 PolarHBondContact O-OH 2.83Å; S24-N370 CarbonylContact C-O 3.57Å; S24-N370 WeakPolarHBondContact CA-O 3.34Å; S24-Y371 WeakPolarHBondContact OG-CD2 3.2Å; S24-Y372 PolarHBondContact OG-N 2.96Å; S24-N374 VanDerWaalsContact CB-O 3.22Å; S24-N374 WeakPolarHBondContact CB-O 3.49Å; S24-N374 WeakPolarHBondContact CB-OD1 2.88Å; S24-N374 PolarHBondContact N-OD1 3.45Å; S24-N374 PolarHBondContact OG-O 2.94Å; S24-N374 PolarHBondContact OG-OD1 3.19Å
25F93.1Very high93Very high3 Ų324.6 Ų24.61%0.01314%0.141CC..EExtended strand (participates in β ladder)trans-145.9146.6-174.9168-104.2000109.7Y15 A18 A19 H23 I27 Y272 L274 G369 N370Y15-F25 HydrophobicContact CD2-CD1 4.04Å; Y15-F25 HydrophobicContact CD2-CE1 4.05Å; Y15-F25 AromaticContact CE2-CD1 3.99Å; Y15-F25 HydrophobicContact CE2-CD1 3.99Å; Y15-F25 HydrophobicContact CE2-CE1 4.46Å; A18-F25 HydrophobicContact CB-CE1 3.99Å; A18-F25 HydrophobicContact CB-CE2 4.23Å; A18-F25 HydrophobicContact CB-CZ 3.4Å; A18-F25 VanDerWaalsContact CB-CZ 3.4Å; A19-F25 HydrophobicContact CB-CD1 3.65Å; A19-F25 HydrophobicContact CB-CE1 4.02Å; A19-F25 HydrophobicContact CB-CG 4.34Å; H23-F25 PolarHBondContact O-N 3.42Å; F25-I27 HydrophobicContact CE1-CG1 4.43Å; F25-I27 HydrophobicContact CE1-CG2 4.07Å; F25-I27 HydrophobicContact CE2-CG2 4.05Å; F25-I27 HydrophobicContact CZ-CG2 3.4Å; F25-I27 VanDerWaalsContact CZ-CG2 3.4Å; F25-Y272 VanDerWaalsContact CA-CE2 3.47Å; F25-Y272 HydrophobicContact CB-CE2 4.4Å; F25-Y272 AromaticContact CD2-CD1 3.96Å; F25-Y272 HydrophobicContact CD2-CD1 3.96Å; F25-Y272 HydrophobicContact CD2-CD2 4.46Å; F25-Y272 AromaticContact CD2-CE1 3.9Å; F25-Y272 HydrophobicContact CD2-CE1 3.9Å; F25-Y272 HydrophobicContact CD2-CE2 4.34Å; F25-Y272 HydrophobicContact CD2-CG 4.27Å; F25-Y272 HydrophobicContact CE2-CD1 4.31Å; F25-L274 HydrophobicContact CE2-CD1 3.95Å; F25-L274 HydrophobicContact CE2-CD2 4.04Å; F25-L274 HydrophobicContact CE2-CG 4.35Å; F25-L274 HydrophobicContact CZ-CD1 3.93Å; F25-G369 CarbonylContact O-C 3.55Å; F25-G369 WeakPolarHBondContact O-CA 3.45Å; F25-N370 PolarHBondContact N-ND2 2.89Å; F25-N370 PolarHBondContact N-O 3.12Å; F25-N370 PolarHBondContact O-N 2.86Å
26F94Very high93Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-155.9159.8169.281.1-67.9000112.8L270 Y272 A314 I316 F355 F367 M368F26-L270 HydrophobicContact CD1-CB 3.55Å; F26-L270 HydrophobicContact CD1-CD1 4.07Å; F26-L270 HydrophobicContact CD1-CG 4.46Å; F26-L270 VanDerWaalsContact CE1-C 3.45Å; F26-L270 HydrophobicContact CE1-CB 3.37Å; F26-L270 WeakPolarHBondContact CE1-O 3.32Å; F26-L270 HydrophobicContact CZ-CB 4.27Å; F26-L270 WeakPolarHBondContact CZ-O 3.15Å; F26-Y272 AromaticContact CD1-CD2 3.54Å; F26-Y272 HydrophobicContact CD1-CD2 3.54Å; F26-Y272 HydrophobicContact CD1-CE2 4.38Å; F26-Y272 HydrophobicContact CD1-CG 4.34Å; F26-Y272 AromaticContact CE1-CD2 3.73Å; F26-Y272 HydrophobicContact CE1-CD2 3.73Å; F26-Y272 HydrophobicContact CE1-CG 4.37Å; F26-A314 HydrophobicContact CD2-CB 4.22Å; F26-A314 HydrophobicContact CE2-CB 3.46Å; F26-A314 VanDerWaalsContact CE2-CB 3.46Å; F26-A314 HydrophobicContact CZ-CB 3.72Å; F26-A314 VanDerWaalsContact CZ-O 3.25Å; F26-A314 WeakPolarHBondContact CZ-O 3.39Å; F26-I316 HydrophobicContact CD1-CG2 4.2Å; F26-I316 HydrophobicContact CD2-CB 4.41Å; F26-I316 HydrophobicContact CD2-CG2 3.86Å; F26-I316 HydrophobicContact CE1-CG2 3.97Å; F26-I316 HydrophobicContact CE2-CB 3.83Å; F26-I316 HydrophobicContact CE2-CG2 3.54Å; F26-I316 HydrophobicContact CG-CG2 4.18Å; F26-I316 HydrophobicContact CZ-CB 4.14Å; F26-I316 HydrophobicContact CZ-CG2 3.61Å; F26-F355 HydrophobicContact CB-CE2 4.05Å; F26-F355 HydrophobicContact CB-CZ 3.66Å; F26-F355 HydrophobicContact CG-CZ 4.28Å; F26-F367 AromaticContact CD2-CD1 3.84Å; F26-F367 HydrophobicContact CD2-CD1 3.84Å; F26-F367 AromaticContact CE2-CD1 3.79Å; F26-F367 HydrophobicContact CE2-CD1 3.79Å; F26-F367 HydrophobicContact CE2-CE1 4.01Å; F26-M368 CarbonylContact C-O 3.57Å; F26-M368 VanDerWaalsContact CA-O 3.27Å; F26-M368 WeakPolarHBondContact CA-O 3.34Å; F26-M368 WeakPolarHBondContact CB-O 3.48Å
27I95.1Very high93Very high0 Ų019.8 Ų19.80%012%0.119CC..EExtended strand (participates in β ladder)trans-138.6163.7175.248.2171.9000110.2T14 F25 P29 I32 L274 F367 M368T14-I27 HydrophobicContact CG2-CD1 3.64Å; F25-I27 HydrophobicContact CE1-CG1 4.43Å; F25-I27 HydrophobicContact CE1-CG2 4.07Å; F25-I27 HydrophobicContact CE2-CG2 4.05Å; F25-I27 HydrophobicContact CZ-CG2 3.4Å; F25-I27 VanDerWaalsContact CZ-CG2 3.4Å; I27-P29 HydrophobicContact CD1-CB 4.28Å; I27-P29 VanDerWaalsContact O-CD 3.3Å; I27-P29 WeakPolarHBondContact O-CD 3.27Å; I27-I32 HydrophobicContact CB-CD1 4.2Å; I27-I32 HydrophobicContact CG2-CD1 4.36Å; I27-L274 HydrophobicContact CG2-CD1 3.24Å; I27-L274 HydrophobicContact CG2-CG 4.49Å; I27-F367 WeakPolarHBondContact O-CA 3.32Å; I27-M368 PolarHBondContact N-O 3.06Å; I27-M368 PolarHBondContact O-N 3.36Å
28S95.1Very high93.1Very high0 Ų016.6 Ų16.60%010%0.104CC..  trans-102.991.9158.6-177.50000110.1F30 S31 I32 I165 H312 L366S28-F30 VanDerWaalsContact C-N 3.3Å; S28-F30 PolarHBondContact O-N 3.42Å; S28-S31 PolarHBondContact O-N 3.29Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S28-S31 WeakPolarHBondContact OG-CB 3.22Å; S28-S31 PolarHBondContact OG-N 3.08Å; S28-I32 WeakPolarHBondContact O-CG1 3.35Å; S28-I32 PolarHBondContact O-N 3.3Å; S28-I165 VanDerWaalsContact CB-CG2 3.42Å; S28-I165 WeakPolarHBondContact OG-CD1 3.48Å; S28-H312 PolarHBondContact N-NE2 2.84Å; S28-L366 WeakPolarHBondContact CA-O 3.46Å; S28-L366 WeakPolarHBondContact CB-O 3.25Å; S28-L366 PolarHBondContact OG-O 2.7Å
29P95.3Very high93.2Very high2 Ų216 Ų161%0.01310%0.099CC..Hα-helixtrans-64.4-37.3-174.925.9-32.7000111.6F10 A11 I27 S31 I32 L33 I365 M368F10-P29 HydrophobicContact CD1-CB 4.47Å; F10-P29 WeakPolarHBondContact CE1-O 3.49Å; A11-P29 HydrophobicContact CB-CB 3.49Å; A11-P29 VanDerWaalsContact CB-CB 3.49Å; A11-P29 HydrophobicContact CB-CG 3.46Å; A11-P29 VanDerWaalsContact CB-CG 3.46Å; I27-P29 HydrophobicContact CD1-CB 4.28Å; I27-P29 VanDerWaalsContact O-CD 3.3Å; I27-P29 WeakPolarHBondContact O-CD 3.27Å; P29-S31 VanDerWaalsContact C-N 3.34Å; P29-S31 PolarHBondContact O-N 2.59Å; P29-I32 PolarHBondContact O-N 2.85Å; P29-L33 WeakPolarHBondContact O-CB 3.38Å; P29-L33 PolarHBondContact O-N 3.43Å; P29-I365 HydrophobicContact CG-CG2 4.16Å; P29-M368 HydrophobicContact CG-CB 4.46Å
30F92.2Very high93.4Very high4 Ų414.7 Ų14.72%0.0189%0.088CC..Hα-helixtrans-64.8-37.4175.6-175.6-107.3000112.7S28 L33 I34 M69 A72 F76 I364 L366S28-F30 VanDerWaalsContact C-N 3.3Å; S28-F30 PolarHBondContact O-N 3.42Å; F30-L33 HydrophobicContact CD2-CD2 4.48Å; F30-L33 WeakPolarHBondContact O-CB 3.46Å; F30-L33 PolarHBondContact O-N 3.45Å; F30-I34 HydrophobicContact CD1-CD1 3.98Å; F30-I34 HydrophobicContact CD1-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CD1 3.55Å; F30-I34 HydrophobicContact CE1-CG1 4.03Å; F30-I34 HydrophobicContact CZ-CD1 4.13Å; F30-I34 HydrophobicContact CZ-CG1 4.13Å; F30-I34 WeakPolarHBondContact O-CG1 3.21Å; F30-I34 PolarHBondContact O-N 3.14Å; F30-M69 HydrophobicContact CE2-CE 4.08Å; F30-M69 HydrophobicContact CE2-SD 4.2Å; F30-M69 HydrophobicContact CZ-CE 4.21Å; F30-A72 HydrophobicContact CE1-CB 4.2Å; F30-A72 HydrophobicContact CE2-CB 3.85Å; F30-A72 HydrophobicContact CZ-CB 3.33Å; F30-F76 AromaticContact CD1-CD2 3.9Å; F30-F76 HydrophobicContact CD1-CD2 3.9Å; F30-F76 AromaticContact CD1-CE2 3.6Å; F30-F76 HydrophobicContact CD1-CE2 3.6Å; F30-F76 HydrophobicContact CD1-CZ 4.47Å; F30-F76 AromaticContact CE1-CD2 3.49Å; F30-F76 HydrophobicContact CE1-CD2 3.49Å; F30-F76 VanDerWaalsContact CE1-CD2 3.49Å; F30-F76 AromaticContact CE1-CE2 3.44Å; F30-F76 HydrophobicContact CE1-CE2 3.44Å; F30-F76 VanDerWaalsContact CE1-CE2 3.44Å; F30-F76 HydrophobicContact CG-CE2 4.45Å; F30-F76 HydrophobicContact CZ-CD2 4.42Å; F30-F76 HydrophobicContact CZ-CE2 4.21Å; F30-I364 HydrophobicContact CB-CG2 3.81Å; F30-I364 HydrophobicContact CD1-CG2 4.09Å; F30-I364 HydrophobicContact CD2-CG2 3.6Å; F30-I364 HydrophobicContact CE2-CD1 4.21Å; F30-I364 HydrophobicContact CE2-CG2 4.26Å; F30-I364 HydrophobicContact CG-CG2 3.53Å; F30-I364 HydrophobicContact CZ-CD1 4.45Å; F30-L366 HydrophobicContact CD1-CD1 4.29Å
31S92.4Very high93.8Very high1 Ų111.7 Ų11.71%0.0077%0.07CC..Hα-helixtrans-70.1-37.7178.3-146.30000112.3S28 P29 L33 I34 A35 N163S28-S31 PolarHBondContact O-N 3.29Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S28-S31 WeakPolarHBondContact OG-CB 3.22Å; S28-S31 PolarHBondContact OG-N 3.08Å; P29-S31 VanDerWaalsContact C-N 3.34Å; P29-S31 PolarHBondContact O-N 2.59Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.8Å; S31-I34 WeakPolarHBondContact O-CB 3.13Å; S31-I34 PolarHBondContact O-N 2.9Å; S31-A35 PolarHBondContact O-N 3.3Å; S31-N163 VanDerWaalsContact C-OD1 3.32Å; S31-N163 WeakPolarHBondContact CB-ND2 3.45Å; S31-N163 WeakPolarHBondContact CB-OD1 3.09Å; S31-N163 PolarHBondContact O-ND2 3.49Å; S31-N163 PolarHBondContact OG-ND2 2.78Å; S31-N163 PolarHBondContact OG-OD1 2.92Å
32I95Very high94.4Very high0 Ų08.5 Ų8.50%04%0.044CC..Hα-helixtrans-60.1-44.3169.1-64.2167.3000110.4F10 T14 I27 S28 P29 I34 A35 L36 N163 L276 H312F10-I32 HydrophobicContact CE1-CB 4.31Å; F10-I32 HydrophobicContact CE1-CG2 4.08Å; F10-I32 HydrophobicContact CZ-CG2 3.84Å; T14-I32 HydrophobicContact CG2-CD1 4.23Å; I27-I32 HydrophobicContact CB-CD1 4.2Å; I27-I32 HydrophobicContact CG2-CD1 4.36Å; S28-I32 WeakPolarHBondContact O-CG1 3.35Å; S28-I32 PolarHBondContact O-N 3.3Å; P29-I32 PolarHBondContact O-N 2.85Å; I32-I34 VanDerWaalsContact C-N 3.29Å; I32-I34 PolarHBondContact O-N 2.79Å; I32-A35 PolarHBondContact O-N 3.31Å; I32-A35 VanDerWaalsContact O-N 3.14Å; I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.3Å; I32-N163 PolarHBondContact N-OD1 3.06Å; I32-L276 HydrophobicContact CD1-CD2 3.91Å; I32-L276 HydrophobicContact CG1-CD1 4.25Å; I32-L276 HydrophobicContact CG1-CD2 4.35Å; I32-L276 HydrophobicContact CG2-CD1 3.92Å; I32-L276 HydrophobicContact CG2-CD2 4.42Å; I32-H312 HydrophobicContact CD1-CB 4.32Å; I32-H312 HydrophobicContact CG1-CB 4.05Å
33L94.2Very high94.8Very high1 Ų15.9 Ų5.91%0.0053%0.029CC..Hα-helixtrans-62.1-34.7178.9-173.864.9000112.4T7 F10 P29 F30 S31 L36 G37 L55 F56 M69T7-L33 HydrophobicContact CG2-CD2 3.58Å; F10-L33 HydrophobicContact CD1-CB 4.06Å; F10-L33 HydrophobicContact CD1-CD1 4.19Å; F10-L33 HydrophobicContact CE1-CB 3.94Å; F10-L33 HydrophobicContact CE1-CD1 4.35Å; F10-L33 HydrophobicContact CG-CD1 4.35Å; P29-L33 WeakPolarHBondContact O-CB 3.38Å; P29-L33 PolarHBondContact O-N 3.43Å; F30-L33 HydrophobicContact CD2-CD2 4.48Å; F30-L33 WeakPolarHBondContact O-CB 3.46Å; F30-L33 PolarHBondContact O-N 3.45Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.8Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-G37 WeakPolarHBondContact O-CA 3.4Å; L33-G37 PolarHBondContact O-N 3.22Å; L33-L55 HydrophobicContact CD1-CB 3.85Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD1-CG 4.47Å; L33-F56 HydrophobicContact CD1-CE1 3.84Å; L33-F56 HydrophobicContact CD1-CZ 4.11Å; L33-F56 HydrophobicContact CD2-CE1 4.32Å; L33-F56 HydrophobicContact CG-CE1 4.2Å; L33-M69 HydrophobicContact CD2-SD 4.33Å; L33-M69 HydrophobicContact CG-CE 4.28Å
34I92Very high95.1Very high2 Ų23.7 Ų3.71%0.012%0.023CC..Hα-helixtrans-60.1-49.7172.3-68.7164.1000110.4F30 S31 I32 L36 G37 M38 M69 M73 N91 Y113F30-I34 HydrophobicContact CD1-CD1 3.98Å; F30-I34 HydrophobicContact CD1-CG1 4.49Å; F30-I34 HydrophobicContact CE1-CD1 3.55Å; F30-I34 HydrophobicContact CE1-CG1 4.03Å; F30-I34 HydrophobicContact CZ-CD1 4.13Å; F30-I34 HydrophobicContact CZ-CG1 4.13Å; F30-I34 WeakPolarHBondContact O-CG1 3.21Å; F30-I34 PolarHBondContact O-N 3.14Å; S31-I34 WeakPolarHBondContact O-CB 3.13Å; S31-I34 PolarHBondContact O-N 2.9Å; I32-I34 VanDerWaalsContact C-N 3.29Å; I32-I34 PolarHBondContact O-N 2.79Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.35Å; I34-G37 PolarHBondContact O-N 2.79Å; I34-G37 VanDerWaalsContact O-N 3.17Å; I34-M38 WeakPolarHBondContact O-CG 3.25Å; I34-M38 PolarHBondContact O-N 3.01Å; I34-M69 HydrophobicContact CB-CE 4.33Å; I34-M69 HydrophobicContact CG1-CE 3.68Å; I34-M73 HydrophobicContact CD1-SD 3.72Å; I34-N91 HydrophobicContact CG2-CB 4.24Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.17Å; I34-Y113 HydrophobicContact CG2-CD1 4.16Å
35A93.4Very high95.3Very high3 Ų35.5 Ų5.53%0.0254%0.042CC..Hα-helixtrans-60.3-41.7-179.800000112.5S31 I32 M38 T39 N163S31-A35 PolarHBondContact O-N 3.3Å; I32-A35 PolarHBondContact O-N 3.31Å; I32-A35 VanDerWaalsContact O-N 3.14Å; A35-M38 HydrophobicContact CB-CE 4.25Å; A35-T39 PolarHBondContact O-N 3.12Å; A35-T39 PolarHBondContact O-OG1 2.82Å; A35-N163 HydrophobicContact CB-CB 4.06Å
36L96.1Very high95.5Very high1 Ų110 Ų101%0.0057%0.066CC..Hα-helixtrans-72.8-32.1176.7-62.6170.4000112.5F10 I32 L33 I34 T39 Y40 M51 L55 L161 L280 L285 M288F10-L36 HydrophobicContact CE2-CD1 4.2Å; F10-L36 HydrophobicContact CZ-CD1 3.76Å; I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.3Å; L33-L36 PolarHBondContact O-N 3.3Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.35Å; L36-T39 CarbonylContact O-C 3.48Å; L36-T39 PolarHBondContact O-N 3.48Å; L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.89Å; L36-M51 WeakPolarHBondContact O-CE 3.29Å; L36-L55 HydrophobicContact CB-CD1 3.67Å; L36-L55 HydrophobicContact CB-CD2 4.06Å; L36-L55 HydrophobicContact CD1-CD2 3.6Å; L36-L55 HydrophobicContact CG-CD2 4.43Å; L36-L161 HydrophobicContact CD2-CD2 3.93Å; L36-L280 HydrophobicContact CD1-CD1 4.39Å; L36-L280 HydrophobicContact CD1-CD2 3.55Å; L36-L280 HydrophobicContact CD2-CD1 3.75Å; L36-L280 HydrophobicContact CD2-CD2 4.32Å; L36-L285 HydrophobicContact CD1-CD1 4.4Å; L36-M288 HydrophobicContact CD2-CE 4.09Å
37G95.1Very high95.7Very high0 Ų010 Ų100%07%0.066CC..Hα-helixtrans-64.2-40.2174.100000112.4L33 I34 T39 Y40 V41L33-G37 WeakPolarHBondContact O-CA 3.4Å; L33-G37 PolarHBondContact O-N 3.22Å; I34-G37 PolarHBondContact O-N 2.79Å; I34-G37 VanDerWaalsContact O-N 3.17Å; G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3.45Å; G37-Y40 WeakPolarHBondContact O-CB 3.45Å; G37-Y40 PolarHBondContact O-N 2.85Å; G37-V41 WeakPolarHBondContact O-CG2 3.39Å; G37-V41 PolarHBondContact O-N 3.47Å
38M95.4Very high95.8Very high0 Ų012.3 Ų12.30%08%0.076CC..Hα-helixtrans-58.9-44.6171-65-171.7-76.300111.6I34 A35 Y40 V41 G42 N91 L93 F105 I109 Y113 A115I34-M38 WeakPolarHBondContact O-CG 3.25Å; I34-M38 PolarHBondContact O-N 3.01Å; A35-M38 HydrophobicContact CB-CE 4.25Å; M38-Y40 VanDerWaalsContact C-N 3.33Å; M38-Y40 PolarHBondContact O-N 3.43Å; M38-V41 PolarHBondContact O-N 2.99Å; M38-G42 PolarHBondContact O-N 3.13Å; M38-N91 HydrophobicContact CE-CB 3.91Å; M38-L93 HydrophobicContact CB-CD1 3.97Å; M38-L93 HydrophobicContact CB-CG 4.31Å; M38-L93 HydrophobicContact CE-CD2 4.18Å; M38-L93 HydrophobicContact CE-CG 4.16Å; M38-L93 HydrophobicContact SD-CG 4.26Å; M38-F105 WeakPolarHBondContact O-CE2 3.38Å; M38-I109 HydrophobicContact CB-CG2 4.04Å; M38-I109 HydrophobicContact CG-CB 4.34Å; M38-I109 HydrophobicContact CG-CG2 4.19Å; M38-Y113 HydrophobicContact CG-CD1 4.19Å; M38-Y113 HydrophobicContact CG-CG 3.98Å; M38-A115 HydrophobicContact CE-CB 4.27Å; M38-A115 HydrophobicContact CG-CB 4.3Å; M38-A115 HydrophobicContact SD-CB 3.16Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å
39T97Very high95.9Very high0 Ų015.7 Ų15.70%010%0.1CC..Hα-helixtrans-68.8-32.5177.6-54.30000112.2A35 L36 G37 G42 S43 M51 L161 M288 L296 V307A35-T39 PolarHBondContact O-N 3.12Å; A35-T39 PolarHBondContact O-OG1 2.82Å; L36-T39 CarbonylContact O-C 3.48Å; L36-T39 PolarHBondContact O-N 3.48Å; G37-T39 VanDerWaalsContact C-N 3.32Å; G37-T39 PolarHBondContact O-N 3.45Å; T39-G42 CarbonylContact O-C 3.58Å; T39-G42 WeakPolarHBondContact O-CA 3.37Å; T39-G42 PolarHBondContact O-N 3.48Å; T39-G42 VanDerWaalsContact O-N 3.11Å; T39-S43 PolarHBondContact O-N 3.05Å; T39-S43 VanDerWaalsContact O-N 3.15Å; T39-M51 HydrophobicContact CG2-CE 3.98Å; T39-M51 HydrophobicContact CG2-SD 4.32Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.36Å; T39-M288 HydrophobicContact CG2-CE 3.89Å; T39-L296 HydrophobicContact CG2-CD2 3.9Å; T39-V307 HydrophobicContact CG2-CG2 4.04Å
40Y97.3Very high96Very high3 Ų317.2 Ų17.21%0.01211%0.107CC..Hα-helixtrans-61.2-44.6175172.4-104.8000111.9L36 G37 M38 G42 S43 K48 M51 K52 F56 D62 I65L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 2.89Å; G37-Y40 WeakPolarHBondContact O-CB 3.45Å; G37-Y40 PolarHBondContact O-N 2.85Å; M38-Y40 VanDerWaalsContact C-N 3.33Å; M38-Y40 PolarHBondContact O-N 3.43Å; Y40-G42 PolarHBondContact O-N 3.43Å; Y40-S43 WeakPolarHBondContact O-CB 3.2Å; Y40-S43 PolarHBondContact O-N 3.35Å; Y40-S43 PolarHBondContact O-OG 2.89Å; Y40-K48 HydrophobicContact CD2-CG 4.14Å; Y40-K48 HydrophobicContact CE2-CD 4.32Å; Y40-K48 HydrophobicContact CE2-CG 3.5Å; Y40-K48 WeakPolarHBondContact OH-CE 3.29Å; Y40-M51 HydrophobicContact CD2-CB 3.77Å; Y40-K52 HydrophobicContact CE2-CB 3.8Å; Y40-K52 HydrophobicContact CE2-CG 4.33Å; Y40-F56 AromaticContact CD1-CE2 3.93Å; Y40-F56 HydrophobicContact CD1-CE2 3.93Å; Y40-F56 HydrophobicContact CD2-CE2 4.4Å; Y40-F56 HydrophobicContact CE1-CE2 4.41Å; Y40-F56 AromaticContact CG-CE2 3.92Å; Y40-F56 HydrophobicContact CG-CE2 3.92Å; Y40-D62 PolarHBondContact OH-OD1 2.87Å; Y40-I65 HydrophobicContact CE1-CD1 3.95Å; Y40-I65 HydrophobicContact CE1-CG2 4.46Å
41V97.2Very high96.2Very high24 Ų2417.1 Ų17.115%0.14511%0.106CC..Hα-helixtrans-55-36.7174172.50000111.2G37 M38 S43 F105 C108 I109 Y113G37-V41 WeakPolarHBondContact O-CG2 3.39Å; G37-V41 PolarHBondContact O-N 3.47Å; M38-V41 PolarHBondContact O-N 2.99Å; V41-S43 VanDerWaalsContact C-N 3.34Å; V41-F105 HydrophobicContact CB-CD2 4.41Å; V41-F105 HydrophobicContact CB-CE2 4.32Å; V41-F105 HydrophobicContact CG1-CD2 3.87Å; V41-F105 HydrophobicContact CG1-CE2 4.23Å; V41-C108 HydrophobicContact CG1-CB 3.72Å; V41-C108 WeakPolarHBondContact CG1-SG 3.43Å; V41-I109 HydrophobicContact CB-CG2 4.36Å; V41-I109 HydrophobicContact CG1-CG2 4.33Å; V41-Y113 HydrophobicContact CG2-CE2 3.64Å
42G97.6Very high96.3Very high0 Ų018.9 Ų18.90%011%0.114CC..THydrogen-bonded Turntrans-80.5-7.1178.300000115.4M38 T39 Y40 L296 K298 I299M38-G42 PolarHBondContact O-N 3.13Å; T39-G42 CarbonylContact O-C 3.58Å; T39-G42 WeakPolarHBondContact O-CA 3.37Å; T39-G42 PolarHBondContact O-N 3.48Å; T39-G42 VanDerWaalsContact O-N 3.11Å; Y40-G42 PolarHBondContact O-N 3.43Å; G42-L296 CarbonylContact O-C 3.58Å; G42-L296 WeakPolarHBondContact O-CA 3.39Å; G42-K298 WeakPolarHBondContact O-CB 3.21Å; G42-K298 PolarHBondContact O-N 3.49Å; G42-K298 VanDerWaalsContact O-N 3.17Å; G42-I299 VanDerWaalsContact CA-CG1 3.44Å
43S98.2Very high96.2Very high0 Ų021.5 Ų21.50%013%0.132CC..  trans-93.3156.5-172.372.80000113.6T39 Y40 V41 K48 D295T39-S43 PolarHBondContact O-N 3.05Å; T39-S43 VanDerWaalsContact O-N 3.15Å; Y40-S43 WeakPolarHBondContact O-CB 3.2Å; Y40-S43 PolarHBondContact O-N 3.35Å; Y40-S43 PolarHBondContact O-OG 2.89Å; V41-S43 VanDerWaalsContact C-N 3.34Å; S43-K48 VanDerWaalsContact OG-CA 3.31Å; S43-K48 WeakPolarHBondContact OG-CA 3.5Å; S43-K48 VanDerWaalsContact OG-CB 3.32Å; S43-K48 WeakPolarHBondContact OG-CB 3.42Å; S43-K48 WeakPolarHBondContact OG-CG 3.15Å; S43-D295 CarbonylContact C-O 3.4Å; S43-D295 WeakPolarHBondContact CA-O 3.36Å
44S98Very high96.2Very high33 Ų3325.1 Ų25.123%0.23115%0.148CC..  trans-143.4175.4173.5177.80000110.6T47 K48 D295S44-T47 WeakPolarHBondContact O-CB 3.46Å; S44-T47 PolarHBondContact O-N 3.24Å; S44-K48 PolarHBondContact O-N 2.94Å; S44-D295 VanDerWaalsContact CB-OD2 3.31Å; S44-D295 WeakPolarHBondContact CB-OD2 3.41Å; S44-D295 PolarHBondContact N-O 3.12Å; S44-D295 WeakPolarHBondContact O-CB 3.45Å; S44-D295 PolarHBondContact OG-OD2 3.49Å
45G97.2Very high96.3Very high39 Ų3925 Ų2540%0.40215%0.147SC..Hα-helixtrans53.6-142.3174.800000114.1T47 K48 S49 D295G45-T47 VanDerWaalsContact C-N 3.28Å; G45-T47 PolarHBondContact O-N 3.35Å; G45-K48 WeakPolarHBondContact O-CB 3.33Å; G45-K48 PolarHBondContact O-N 3.13Å; G45-S49 PolarHBondContact O-N 3.19Å; G45-S49 VanDerWaalsContact O-N 3.13Å; G45-S49 PolarHBondContact O-OG 3.49Å; G45-D295 PolarHBondContact N-OD2 3.32Å
46N97.8Very high96.1Very high96 Ų9625.2 Ų25.251%0.51315%0.148SC..Hα-helixtrans-65.9-30-178.4-166.658.6000112.9K48 S49 Q50 D287N46-K48 VanDerWaalsContact C-N 3.33Å; N46-K48 PolarHBondContact O-N 3.22Å; N46-S49 PolarHBondContact O-N 2.99Å; N46-Q50 PolarHBondContact ND2-NE2 3.37Å; N46-Q50 WeakPolarHBondContact O-CG 3.44Å; N46-Q50 PolarHBondContact O-N 3.27Å; N46-D287 WeakPolarHBondContact CB-OD2 3.35Å; N46-D287 PolarHBondContact ND2-OD2 3.49Å
47T98.4Very high95.5Very high1 Ų127.7 Ų27.71%0.00616%0.159CC..Hα-helixtrans-58.7-47.7173.1-57.10000110.3S44 G45 S49 Q50 M51 D287 M288 D295 L296S44-T47 WeakPolarHBondContact O-CB 3.46Å; S44-T47 PolarHBondContact O-N 3.24Å; G45-T47 VanDerWaalsContact C-N 3.28Å; G45-T47 PolarHBondContact O-N 3.35Å; T47-S49 PolarHBondContact O-N 3.41Å; T47-Q50 PolarHBondContact O-N 3.47Å; T47-M51 HydrophobicContact CG2-SD 4.27Å; T47-M51 VanDerWaalsContact O-CG 3.29Å; T47-M51 WeakPolarHBondContact O-CG 3.43Å; T47-M51 PolarHBondContact O-N 2.68Å; T47-D287 WeakPolarHBondContact OG1-CB 3.37Å; T47-M288 HydrophobicContact CG2-CB 3.86Å; T47-D295 PolarHBondContact OG1-N 3.23Å; T47-L296 HydrophobicContact CG2-CD2 4.27Å
48K97.5Very high94.7Very high49 Ų4931.3 Ų31.321%0.21319%0.185CC..Hα-helixtrans-62.4-42.9176.1-170.9171.7-170.5164.20112.4Y40 S43 S44 G45 N46 M51 K52 D62Y40-K48 HydrophobicContact CD2-CG 4.14Å; Y40-K48 HydrophobicContact CE2-CD 4.32Å; Y40-K48 HydrophobicContact CE2-CG 3.5Å; Y40-K48 WeakPolarHBondContact OH-CE 3.29Å; S43-K48 VanDerWaalsContact OG-CA 3.31Å; S43-K48 WeakPolarHBondContact OG-CA 3.5Å; S43-K48 VanDerWaalsContact OG-CB 3.32Å; S43-K48 WeakPolarHBondContact OG-CB 3.42Å; S43-K48 WeakPolarHBondContact OG-CG 3.15Å; S44-K48 PolarHBondContact O-N 2.94Å; G45-K48 WeakPolarHBondContact O-CB 3.33Å; G45-K48 PolarHBondContact O-N 3.13Å; N46-K48 VanDerWaalsContact C-N 3.33Å; N46-K48 PolarHBondContact O-N 3.22Å; K48-M51 PolarHBondContact O-N 2.85Å; K48-K52 WeakPolarHBondContact O-CB 3.32Å; K48-K52 PolarHBondContact O-N 2.93Å; K48-D62 WeakPolarHBondContact CE-OD2 3.21Å; K48-D62 IonicContact NZ-OD1 2.76Å; K48-D62 IonicContact NZ-OD2 3.47Å; K48-D62 PolarHBondContact NZ-OD2 3.3Å
49S96.6Very high94.2Very high71 Ų7135 Ų3550%0.49721%0.21SC..Hα-helixtrans-62.4-42.9178.1-59.90000112.7G45 N46 T47 S53G45-S49 PolarHBondContact O-N 3.19Å; G45-S49 VanDerWaalsContact O-N 3.13Å; G45-S49 PolarHBondContact O-OG 3.49Å; N46-S49 PolarHBondContact O-N 2.99Å; T47-S49 PolarHBondContact O-N 3.41Å; S49-S53 WeakPolarHBondContact O-CB 3.44Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 VanDerWaalsContact O-N 3.09Å; S49-S53 PolarHBondContact O-OG 3.25Å
50Q96.9Very high93.8Very high34 Ų3436 Ų3616%0.15922%0.216CC..Hα-helixtrans-59.9-50.3172.7-75.2-178.1-2.300110.7N46 T47 K52 S53 K54 T286 D287N46-Q50 PolarHBondContact ND2-NE2 3.37Å; N46-Q50 WeakPolarHBondContact O-CG 3.44Å; N46-Q50 PolarHBondContact O-N 3.27Å; T47-Q50 PolarHBondContact O-N 3.47Å; Q50-K52 PolarHBondContact O-N 3Å; Q50-S53 PolarHBondContact O-N 3.23Å; Q50-S53 PolarHBondContact O-OG 3.03Å; Q50-S53 VanDerWaalsContact O-OG 3.09Å; Q50-K54 WeakPolarHBondContact O-CB 3.19Å; Q50-K54 VanDerWaalsContact O-CG 3.26Å; Q50-K54 WeakPolarHBondContact O-CG 3.49Å; Q50-K54 PolarHBondContact O-N 3.49Å; Q50-K54 VanDerWaalsContact O-N 3.14Å; Q50-T286 PolarHBondContact NE2-OG1 2.98Å; Q50-T286 VanDerWaalsContact OE1-N 3.13Å; Q50-T286 PolarHBondContact OE1-OG1 2.61Å; Q50-D287 VanDerWaalsContact NE2-CG 3.34Å; Q50-D287 PolarHBondContact NE2-OD1 2.71Å; Q50-D287 PolarHBondContact OE1-OD1 2.66Å
51M96.9Very high93.5Very high1 Ų141 Ų411%0.00524%0.239CC..Hα-helixtrans-60.5-49.1179.7-69.3-174.781.900112.2L36 T39 Y40 T47 K48 S53 K54 L55 L285 M288L36-M51 WeakPolarHBondContact O-CE 3.29Å; T39-M51 HydrophobicContact CG2-CE 3.98Å; T39-M51 HydrophobicContact CG2-SD 4.32Å; Y40-M51 HydrophobicContact CD2-CB 3.77Å; T47-M51 HydrophobicContact CG2-SD 4.27Å; T47-M51 VanDerWaalsContact O-CG 3.29Å; T47-M51 WeakPolarHBondContact O-CG 3.43Å; T47-M51 PolarHBondContact O-N 2.68Å; K48-M51 PolarHBondContact O-N 2.85Å; M51-S53 PolarHBondContact O-N 3.02Å; M51-K54 PolarHBondContact O-N 2.93Å; M51-L55 HydrophobicContact CB-CD1 4.05Å; M51-L55 HydrophobicContact CE-CD1 3.87Å; M51-L55 WeakPolarHBondContact O-CB 3.47Å; M51-L55 WeakPolarHBondContact O-CG 3.31Å; M51-L55 PolarHBondContact O-N 3.17Å; M51-L285 HydrophobicContact CB-CD2 4.35Å; M51-L285 HydrophobicContact CG-CD2 3.96Å; M51-M288 HydrophobicContact CE-CE 4.25Å; M51-M288 HydrophobicContact CE-SD 4.28Å; M51-M288 HydrophobicContact CG-SD 4.42Å; M51-M288 HydrophobicContact SD-SD 4.36Å
52K94.6Very high93.3Very high39 Ų3942 Ų4217%0.1724%0.243CC..Hα-helixtrans-55.9-51.7179.4-165.5174.3-176.1173.60111.4Y40 K48 Q50 K54 F56 S58 L60Y40-K52 HydrophobicContact CE2-CB 3.8Å; Y40-K52 HydrophobicContact CE2-CG 4.33Å; K48-K52 WeakPolarHBondContact O-CB 3.32Å; K48-K52 PolarHBondContact O-N 2.93Å; Q50-K52 PolarHBondContact O-N 3Å; K52-K54 VanDerWaalsContact C-N 3.29Å; K52-K54 PolarHBondContact O-N 3.38Å; K52-F56 CarbonylContact O-C 3.52Å; K52-F56 WeakPolarHBondContact O-CA 3.34Å; K52-F56 PolarHBondContact O-N 3.11Å; K52-S58 WeakPolarHBondContact CE-O 3.27Å; K52-L60 WeakPolarHBondContact CE-O 3.16Å; K52-L60 PolarHBondContact NZ-O 3.2Å
53S93.3Very high93Very high54 Ų5448.7 Ų48.738%0.37828%0.275SS..Hα-helixtrans-69.1-22.4-175.964.90000114.7S49 Q50 M51S49-S53 WeakPolarHBondContact O-CB 3.44Å; S49-S53 PolarHBondContact O-N 2.9Å; S49-S53 VanDerWaalsContact O-N 3.09Å; S49-S53 PolarHBondContact O-OG 3.25Å; Q50-S53 PolarHBondContact O-N 3.23Å; Q50-S53 PolarHBondContact O-OG 3.03Å; Q50-S53 VanDerWaalsContact O-OG 3.09Å; M51-S53 PolarHBondContact O-N 3.02Å
54K94.1Very high92.6Very high77 Ų7753.3 Ų53.334%0.33530%0.297SS..Hα-helixtrans-101.8-23.7-178.4-60.4-53.8-176.41800114.1R13 Q50 M51 K52 L283 L285R13-K54 VanDerWaalsContact CZ-O 3.24Å; R13-K54 PolarHBondContact NH1-O 3.15Å; R13-K54 PolarHBondContact NH2-O 2.96Å; Q50-K54 WeakPolarHBondContact O-CB 3.19Å; Q50-K54 VanDerWaalsContact O-CG 3.26Å; Q50-K54 WeakPolarHBondContact O-CG 3.49Å; Q50-K54 PolarHBondContact O-N 3.49Å; Q50-K54 VanDerWaalsContact O-N 3.14Å; M51-K54 PolarHBondContact O-N 2.93Å; K52-K54 VanDerWaalsContact C-N 3.29Å; K52-K54 PolarHBondContact O-N 3.38Å; K54-L283 WeakPolarHBondContact CD-O 3.33Å; K54-L283 VanDerWaalsContact CE-O 3.29Å; K54-L283 WeakPolarHBondContact CE-O 3.4Å; K54-L283 WeakPolarHBondContact CG-O 3.37Å; K54-L285 HydrophobicContact CB-CD2 3.79Å; K54-L285 HydrophobicContact CB-CG 4.27Å; K54-L285 HydrophobicContact CG-CD2 4.12Å
55L93.5Very high92.3Very high0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-100.8-34.7-178.2-58.8178.4000112.2F10 L33 L36 M51 L285F10-L55 HydrophobicContact CD2-CD2 3.97Å; F10-L55 HydrophobicContact CE2-CD2 3.5Å; F10-L55 VanDerWaalsContact CE2-CD2 3.5Å; F10-L55 HydrophobicContact CZ-CD2 4.15Å; L33-L55 HydrophobicContact CD1-CB 3.85Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD1-CG 4.47Å; L36-L55 HydrophobicContact CB-CD1 3.67Å; L36-L55 HydrophobicContact CB-CD2 4.06Å; L36-L55 HydrophobicContact CD1-CD2 3.6Å; L36-L55 HydrophobicContact CG-CD2 4.43Å; M51-L55 HydrophobicContact CB-CD1 4.05Å; M51-L55 HydrophobicContact CE-CD1 3.87Å; M51-L55 WeakPolarHBondContact O-CB 3.47Å; M51-L55 WeakPolarHBondContact O-CG 3.31Å; M51-L55 PolarHBondContact O-N 3.17Å; L55-L285 HydrophobicContact CD2-CD1 3.97Å
56F90.2Very high92.1Very high7 Ų751 Ų513%0.03127%0.272CS..SBendtrans-129.6171.3-170.2-52-65.1000110.5S6 L33 Y40 K52 I65 M69S6-F56 WeakPolarHBondContact OG-CA 3.43Å; L33-F56 HydrophobicContact CD1-CE1 3.84Å; L33-F56 HydrophobicContact CD1-CZ 4.11Å; L33-F56 HydrophobicContact CD2-CE1 4.32Å; L33-F56 HydrophobicContact CG-CE1 4.2Å; Y40-F56 AromaticContact CD1-CE2 3.93Å; Y40-F56 HydrophobicContact CD1-CE2 3.93Å; Y40-F56 HydrophobicContact CD2-CE2 4.4Å; Y40-F56 HydrophobicContact CE1-CE2 4.41Å; Y40-F56 AromaticContact CG-CE2 3.92Å; Y40-F56 HydrophobicContact CG-CE2 3.92Å; K52-F56 CarbonylContact O-C 3.52Å; K52-F56 WeakPolarHBondContact O-CA 3.34Å; K52-F56 PolarHBondContact O-N 3.11Å; F56-I65 HydrophobicContact CB-CD1 4.04Å; F56-I65 HydrophobicContact CB-CG1 4.38Å; F56-I65 HydrophobicContact CD1-CG2 3.98Å; F56-I65 HydrophobicContact CD2-CD1 3.87Å; F56-I65 HydrophobicContact CD2-CG1 4.48Å; F56-I65 HydrophobicContact CD2-CG2 4.09Å; F56-I65 HydrophobicContact CE1-CG2 3.74Å; F56-I65 HydrophobicContact CE2-CG2 3.86Å; F56-I65 HydrophobicContact CG-CD1 3.95Å; F56-I65 HydrophobicContact CG-CG1 4.21Å; F56-I65 HydrophobicContact CG-CG2 4.16Å; F56-I65 HydrophobicContact CZ-CG2 3.68Å; F56-M69 HydrophobicContact CE1-SD 4.33Å
57E83Confident91.7Very high53 Ų5349.6 Ų49.625%0.24827%0.27CS..  trans-72.9134.6165.7-173.9-178.5-14500110M1 S6 S59 L60M1-E57 WeakPolarHBondContact CA-OE1 3.42Å; M1-E57 VanDerWaalsContact CA-OE2 3.29Å; M1-E57 WeakPolarHBondContact CA-OE2 3.36Å; M1-E57 HydrophobicContact CB-CB 4.25Å; M1-E57 HydrophobicContact CB-CG 4.05Å; M1-E57 WeakPolarHBondContact CB-OE1 3.45Å; M1-E57 WeakPolarHBondContact CB-OE2 3.45Å; M1-E57 PolarHBondContact N-OE1 3.12Å; M1-E57 PolarHBondContact N-OE2 3.42Å; S6-E57 PolarHBondContact OG-N 2.81Å; E57-S59 WeakPolarHBondContact CG-OG 3.45Å; E57-S59 PolarHBondContact O-N 3.38Å; E57-S59 VanDerWaalsContact O-N 3.15Å; E57-S59 PolarHBondContact OE1-OG 2.86Å; E57-S59 PolarHBondContact OE2-OG 3.22Å; E57-S59 VanDerWaalsContact OE2-OG 3.14Å; E57-L60 HydrophobicContact CB-CD1 4.09Å; E57-L60 HydrophobicContact CB-CG 4.12Å; E57-L60 PolarHBondContact O-N 2.79Å; E57-L60 VanDerWaalsContact O-N 3.09Å
58S78.9Confident91Very high76 Ų7652.1 Ų52.153%0.53128%0.283SS..THydrogen-bonded Turntrans-63-23.6-176.3-60.50000114K52K52-S58 WeakPolarHBondContact CE-O 3.27Å
59S84.7Confident90.6Very high77 Ų7749.8 Ų49.854%0.53827%0.273SS..THydrogen-bonded Turntrans-81.7-9177.657.80000114.7E57E57-S59 WeakPolarHBondContact CG-OG 3.45Å; E57-S59 PolarHBondContact O-N 3.38Å; E57-S59 VanDerWaalsContact O-N 3.15Å; E57-S59 PolarHBondContact OE1-OG 2.86Å; E57-S59 PolarHBondContact OE2-OG 3.22Å; E57-S59 VanDerWaalsContact OE2-OG 3.14Å
60L86.9Confident90.3Very high22 Ų2247 Ų4712%0.11525%0.254CS..SBendtrans-77.9133.6177.2-67172.4000110.2K52 E57 Q64 I65 L68K52-L60 WeakPolarHBondContact CE-O 3.16Å; K52-L60 PolarHBondContact NZ-O 3.2Å; E57-L60 HydrophobicContact CB-CD1 4.09Å; E57-L60 HydrophobicContact CB-CG 4.12Å; E57-L60 PolarHBondContact O-N 2.79Å; E57-L60 VanDerWaalsContact O-N 3.09Å; L60-Q64 HydrophobicContact CD2-CB 4.46Å; L60-I65 HydrophobicContact CB-CD1 4.23Å; L60-I65 HydrophobicContact CB-CG1 3.82Å; L60-I65 HydrophobicContact CD1-CG1 4.4Å; L60-L68 HydrophobicContact CD1-CD1 4.24Å; L60-L68 HydrophobicContact CD2-CD1 4.38Å
61E91.5Very high89.8Confident108 Ų10848.4 Ų48.451%0.50527%0.267SS..  trans-78.5161172.1-61.8-55.6154.100111.9E63 Q64 I65E61-E63 VanDerWaalsContact C-N 3.31Å; E61-E63 PolarHBondContact O-N 2.9Å; E61-Q64 HydrophobicContact CB-CG 4.36Å; E61-Q64 WeakPolarHBondContact O-CB 3.49Å; E61-Q64 PolarHBondContact O-N 2.92Å; E61-I65 WeakPolarHBondContact O-CG1 3.45Å; E61-I65 PolarHBondContact O-N 2.97Å
62D92.8Very high89.2Confident44 Ų4448.4 Ų48.424%0.23527%0.267CS..Hα-helixtrans-59.1-41.7-175.8-72.5-14.5000112.4Y40 K48 Q64 I65 N66Y40-D62 PolarHBondContact OH-OD1 2.87Å; K48-D62 WeakPolarHBondContact CE-OD2 3.21Å; K48-D62 IonicContact NZ-OD1 2.76Å; K48-D62 IonicContact NZ-OD2 3.47Å; K48-D62 PolarHBondContact NZ-OD2 3.3Å; D62-Q64 VanDerWaalsContact C-N 3.28Å; D62-Q64 PolarHBondContact O-N 3.27Å; D62-I65 PolarHBondContact O-N 3.33Å; D62-N66 WeakPolarHBondContact O-CB 3.37Å; D62-N66 PolarHBondContact O-N 2.79Å; D62-N66 PolarHBondContact O-ND2 2.95Å
63E91.8Very high88.7Confident142 Ų14247.2 Ų47.266%0.66426%0.263SS*.Hα-helixtrans-64.2-36176.9-63.578.6-170.300111.5E61 S67E61-E63 VanDerWaalsContact C-N 3.31Å; E61-E63 PolarHBondContact O-N 2.9Å; E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.34Å; E63-S67 PolarHBondContact O-N 3.03Å
64Q90Very high88.2Confident97 Ų9751.9 Ų51.945%0.45328%0.276SS..Hα-helixtrans-67.5-47176.3-64.5177-37.400110.2L60 E61 D62 N66 S67 L68L60-Q64 HydrophobicContact CD2-CB 4.46Å; E61-Q64 HydrophobicContact CB-CG 4.36Å; E61-Q64 WeakPolarHBondContact O-CB 3.49Å; E61-Q64 PolarHBondContact O-N 2.92Å; D62-Q64 VanDerWaalsContact C-N 3.28Å; D62-Q64 PolarHBondContact O-N 3.27Å; Q64-N66 VanDerWaalsContact C-N 3.35Å; Q64-N66 PolarHBondContact O-N 2.94Å; Q64-S67 PolarHBondContact O-N 2.78Å; Q64-L68 VanDerWaalsContact O-CB 3.28Å; Q64-L68 WeakPolarHBondContact O-CB 3.48Å; Q64-L68 WeakPolarHBondContact O-CD1 3.38Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 2.77Å
65I91.4Very high87.5Confident2 Ų249.9 Ų49.91%0.0127%0.272CS..Hα-helixtrans-56.9-49.8176.5-66.1166.7000110Y40 F56 L60 E61 D62 S67 L68 M69Y40-I65 HydrophobicContact CE1-CD1 3.95Å; Y40-I65 HydrophobicContact CE1-CG2 4.46Å; F56-I65 HydrophobicContact CB-CD1 4.04Å; F56-I65 HydrophobicContact CB-CG1 4.38Å; F56-I65 HydrophobicContact CD1-CG2 3.98Å; F56-I65 HydrophobicContact CD2-CD1 3.87Å; F56-I65 HydrophobicContact CD2-CG1 4.48Å; F56-I65 HydrophobicContact CD2-CG2 4.09Å; F56-I65 HydrophobicContact CE1-CG2 3.74Å; F56-I65 HydrophobicContact CE2-CG2 3.86Å; F56-I65 HydrophobicContact CG-CD1 3.95Å; F56-I65 HydrophobicContact CG-CG1 4.21Å; F56-I65 HydrophobicContact CG-CG2 4.16Å; F56-I65 HydrophobicContact CZ-CG2 3.68Å; L60-I65 HydrophobicContact CB-CD1 4.23Å; L60-I65 HydrophobicContact CB-CG1 3.82Å; L60-I65 HydrophobicContact CD1-CG1 4.4Å; E61-I65 WeakPolarHBondContact O-CG1 3.45Å; E61-I65 PolarHBondContact O-N 2.97Å; D62-I65 PolarHBondContact O-N 3.33Å; I65-S67 PolarHBondContact O-N 3.24Å; I65-L68 PolarHBondContact O-N 3Å; I65-M69 HydrophobicContact CG2-CG 4.37Å; I65-M69 WeakPolarHBondContact O-CB 3.28Å; I65-M69 VanDerWaalsContact O-CG 3.3Å; I65-M69 WeakPolarHBondContact O-CG 3.34Å; I65-M69 PolarHBondContact O-N 2.76Å
66N92.6Very high86.8Confident20 Ų2050.1 Ų50.111%0.10727%0.273CS..Hα-helixtrans-64-40.2-179.6-74.6-24.4000113D62 Q64 S70 H112 Y113D62-N66 WeakPolarHBondContact O-CB 3.37Å; D62-N66 PolarHBondContact O-N 2.79Å; D62-N66 PolarHBondContact O-ND2 2.95Å; Q64-N66 VanDerWaalsContact C-N 3.35Å; Q64-N66 PolarHBondContact O-N 2.94Å; N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.45Å; N66-S70 PolarHBondContact O-N 2.9Å; N66-H112 HydrophobicContact CB-CB 4.27Å; N66-H112 PolarHBondContact O-ND1 3.31Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.27Å; N66-Y113 PolarHBondContact OD1-OH 3.42Å
67S89.7Confident85.9Confident68 Ų6855.3 Ų55.348%0.47630%0.301SS..Hα-helixtrans-65.3-40.6176.6-170.90000112.2E63 Q64 I65 S70 S71E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.34Å; E63-S67 PolarHBondContact O-N 3.03Å; Q64-S67 PolarHBondContact O-N 2.78Å; I65-S67 PolarHBondContact O-N 3.24Å; S67-S70 PolarHBondContact O-N 3.03Å; S67-S71 WeakPolarHBondContact O-CB 3.37Å; S67-S71 PolarHBondContact O-N 3.39Å; S67-S71 PolarHBondContact O-OG 3.42Å
68L85.2Confident85.4Confident53 Ų5359 Ų5928%0.27731%0.313SS..Hα-helixtrans-65.3-47176.7-72.7168.1000111.4L3 L60 Q64 I65 S70 S71 A72L3-L68 HydrophobicContact CB-CD1 4.13Å; L3-L68 HydrophobicContact CB-CD2 4.04Å; L3-L68 HydrophobicContact CB-CG 4.48Å; L3-L68 HydrophobicContact CD1-CB 3.93Å; L3-L68 HydrophobicContact CD1-CD1 4.14Å; L3-L68 HydrophobicContact CD1-CG 4.5Å; L3-L68 HydrophobicContact CD2-CB 3.77Å; L3-L68 HydrophobicContact CD2-CD2 3.99Å; L3-L68 HydrophobicContact CD2-CG 4.34Å; L3-L68 HydrophobicContact CG-CB 4.29Å; L3-L68 HydrophobicContact CG-CD2 4.47Å; L60-L68 HydrophobicContact CD1-CD1 4.24Å; L60-L68 HydrophobicContact CD2-CD1 4.38Å; Q64-L68 VanDerWaalsContact O-CB 3.28Å; Q64-L68 WeakPolarHBondContact O-CB 3.48Å; Q64-L68 WeakPolarHBondContact O-CD1 3.38Å; Q64-L68 WeakPolarHBondContact O-CG 3.45Å; Q64-L68 PolarHBondContact O-N 2.77Å; I65-L68 PolarHBondContact O-N 3Å; L68-S70 PolarHBondContact O-N 3.47Å; L68-S71 PolarHBondContact O-N 3.47Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.5Å
69M88.9Confident85.2Confident1 Ų157.3 Ų57.31%0.00530%0.302CS..Hα-helixtrans-63.1-40.8176.1-67.9-56.5-68.100111.8F30 L33 I34 F56 I65 A72 M73 H112 Y113F30-M69 HydrophobicContact CE2-CE 4.08Å; F30-M69 HydrophobicContact CE2-SD 4.2Å; F30-M69 HydrophobicContact CZ-CE 4.21Å; L33-M69 HydrophobicContact CD2-SD 4.33Å; L33-M69 HydrophobicContact CG-CE 4.28Å; I34-M69 HydrophobicContact CB-CE 4.33Å; I34-M69 HydrophobicContact CG1-CE 3.68Å; F56-M69 HydrophobicContact CE1-SD 4.33Å; I65-M69 HydrophobicContact CG2-CG 4.37Å; I65-M69 WeakPolarHBondContact O-CB 3.28Å; I65-M69 VanDerWaalsContact O-CG 3.3Å; I65-M69 WeakPolarHBondContact O-CG 3.34Å; I65-M69 PolarHBondContact O-N 2.76Å; M69-A72 PolarHBondContact O-N 2.68Å; M69-M73 WeakPolarHBondContact O-CB 3.34Å; M69-M73 PolarHBondContact O-N 3.45Å; M69-H112 CarbonylContact C-O 3.52Å; M69-Y113 HydrophobicContact CB-CD1 4.26Å; M69-Y113 HydrophobicContact CB-CE1 3.69Å; M69-Y113 HydrophobicContact CE-CD1 4.22Å; M69-Y113 HydrophobicContact CE-CE1 3.86Å; M69-Y113 HydrophobicContact CG-CE1 3.69Å
70S90.1Very high84.9Confident12 Ų1255.4 Ų55.48%0.08429%0.285CS..Hα-helixtrans-63.1-43.9176.2-171.70000112.6N66 S67 L68 M73 K74 H112N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.45Å; N66-S70 PolarHBondContact O-N 2.9Å; S67-S70 PolarHBondContact O-N 3.03Å; L68-S70 PolarHBondContact O-N 3.47Å; S70-M73 PolarHBondContact O-N 2.99Å; S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.92Å; S70-H112 WeakPolarHBondContact CA-O 3.27Å; S70-H112 PolarHBondContact N-O 3.39Å
71S85.5Confident84.5Confident64 Ų6458.2 Ų58.245%0.44830%0.304SS..Hα-helixtrans-63.7-43.5178.3-60.20000111.6S67 L68 K74 S75S67-S71 WeakPolarHBondContact O-CB 3.37Å; S67-S71 PolarHBondContact O-N 3.39Å; S67-S71 PolarHBondContact O-OG 3.42Å; L68-S71 PolarHBondContact O-N 3.47Å; S71-K74 PolarHBondContact O-N 2.61Å; S71-S75 PolarHBondContact O-N 2.85Å
72A84.2Confident84Confident1 Ų162.4 Ų62.41%0.00832%0.32CS..Hα-helixtrans-65.8-41.9174.900000112.1F30 L68 M69 K74 S75 F76 I364F30-A72 HydrophobicContact CE1-CB 4.2Å; F30-A72 HydrophobicContact CE2-CB 3.85Å; F30-A72 HydrophobicContact CZ-CB 3.33Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.5Å; M69-A72 PolarHBondContact O-N 2.68Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 2.93Å; A72-S75 PolarHBondContact O-N 3.09Å; A72-S75 PolarHBondContact O-OG 2.74Å; A72-F76 WeakPolarHBondContact O-CD2 3.26Å; A72-F76 PolarHBondContact O-N 3.27Å; A72-I364 HydrophobicContact CB-CD1 3.41Å; A72-I364 VanDerWaalsContact CB-CD1 3.41Å
73M85.6Confident83.5Confident14 Ų1463.9 Ų63.97%0.06933%0.331CS..Hα-helixtrans-62.6-37.6178.2-166.661.4-153.200111.8I34 M69 S70 S75 F76 N77 I89I34-M73 HydrophobicContact CD1-SD 3.72Å; M69-M73 WeakPolarHBondContact O-CB 3.34Å; M69-M73 PolarHBondContact O-N 3.45Å; S70-M73 PolarHBondContact O-N 2.99Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 2.88Å; M73-F76 PolarHBondContact O-N 3.14Å; M73-N77 WeakPolarHBondContact O-CB 3.43Å; M73-N77 PolarHBondContact O-N 3.09Å; M73-I89 HydrophobicContact CE-CD1 4.23Å
74K82.7Confident83.2Confident152 Ų15257.9 Ų57.966%0.66131%0.307SS*.Hα-helixtrans-63.1-30.5174.1-73.2169.8-175172.30113.1S70 S71 A72 F76S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.92Å; S71-K74 PolarHBondContact O-N 2.61Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 2.93Å; K74-F76 VanDerWaalsContact C-N 3.32Å
75S78.1Confident83.1Confident35 Ų3553.8 Ų53.825%0.24529%0.287CS..Hα-helixtrans-72.4-27.4177.677.40000112.7S71 A72 M73 D359 N362S71-S75 PolarHBondContact O-N 2.85Å; A72-S75 PolarHBondContact O-N 3.09Å; A72-S75 PolarHBondContact O-OG 2.74Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 2.88Å; S75-D359 PolarHBondContact OG-OD2 2.89Å; S75-N362 WeakPolarHBondContact CB-ND2 3.48Å
76F80.3Confident82.9Confident5 Ų555.4 Ų55.42%0.02230%0.295CS..Hα-helixtrans-98.2-8.5-179.1-62.4-60.2000114.6F30 A72 M73 K74 Y78 L87 I89 L224 D359 I364 L366F30-F76 AromaticContact CD1-CD2 3.9Å; F30-F76 HydrophobicContact CD1-CD2 3.9Å; F30-F76 AromaticContact CD1-CE2 3.6Å; F30-F76 HydrophobicContact CD1-CE2 3.6Å; F30-F76 HydrophobicContact CD1-CZ 4.47Å; F30-F76 AromaticContact CE1-CD2 3.49Å; F30-F76 HydrophobicContact CE1-CD2 3.49Å; F30-F76 VanDerWaalsContact CE1-CD2 3.49Å; F30-F76 AromaticContact CE1-CE2 3.44Å; F30-F76 HydrophobicContact CE1-CE2 3.44Å; F30-F76 VanDerWaalsContact CE1-CE2 3.44Å; F30-F76 HydrophobicContact CG-CE2 4.45Å; F30-F76 HydrophobicContact CZ-CD2 4.42Å; F30-F76 HydrophobicContact CZ-CE2 4.21Å; A72-F76 WeakPolarHBondContact O-CD2 3.26Å; A72-F76 PolarHBondContact O-N 3.27Å; M73-F76 PolarHBondContact O-N 3.14Å; K74-F76 VanDerWaalsContact C-N 3.32Å; F76-Y78 PolarHBondContact O-N 3.33Å; F76-L87 HydrophobicContact CB-CD2 3.82Å; F76-L87 HydrophobicContact CD1-CD2 3.85Å; F76-L87 HydrophobicContact CG-CD2 4.24Å; F76-L87 WeakPolarHBondContact O-CD2 3.32Å; F76-I89 HydrophobicContact CB-CD1 3.97Å; F76-L224 HydrophobicContact CE1-CD2 4.24Å; F76-D359 HydrophobicContact CE1-CB 4.09Å; F76-D359 HydrophobicContact CZ-CB 3.94Å; F76-I364 HydrophobicContact CE2-CB 4.47Å; F76-I364 HydrophobicContact CE2-CD1 4.11Å; F76-I364 HydrophobicContact CE2-CG2 3.99Å; F76-I364 HydrophobicContact CZ-CB 4.19Å; F76-I364 HydrophobicContact CZ-CG2 3.9Å; F76-L366 HydrophobicContact CD1-CD1 4.18Å; F76-L366 HydrophobicContact CD1-CD2 4.13Å; F76-L366 HydrophobicContact CE1-CB 4.33Å; F76-L366 HydrophobicContact CE1-CD1 3.99Å; F76-L366 HydrophobicContact CE1-CD2 3.94Å; F76-L366 HydrophobicContact CE1-CG 4.3Å; F76-L366 HydrophobicContact CE2-CD1 4.44Å; F76-L366 HydrophobicContact CZ-CB 4.46Å; F76-L366 HydrophobicContact CZ-CD1 4.12Å
77N70.1Confident82.7Confident115 Ų11554.9 Ų54.962%0.61529%0.292SS*.  trans-80.438-176.3-158.710.7000114.2M73M73-N77 WeakPolarHBondContact O-CB 3.43Å; M73-N77 PolarHBondContact O-N 3.09Å
78Y72.2Confident82.7Confident130 Ų13052.5 Ų52.551%0.5127%0.273SS..  trans-132.1132177.6-177.8-107.1000109.6F76 N80 Y85F76-Y78 PolarHBondContact O-N 3.33Å; Y78-N80 HydrophobicContact CD1-CB 4.48Å; Y78-N80 HydrophobicContact CE1-CB 3.55Å; Y78-N80 HydrophobicContact CE2-CB 4.23Å; Y78-N80 VanDerWaalsContact CZ-CB 3.42Å; Y78-N80 VanDerWaalsContact OH-CB 3.27Å; Y78-N80 WeakPolarHBondContact OH-CB 3.17Å; Y78-N80 PolarHBondContact OH-ND2 3.4Å; Y78-Y85 AromaticContact CD1-CD1 3.89Å; Y78-Y85 HydrophobicContact CD1-CD1 3.89Å; Y78-Y85 AromaticContact CD1-CE1 3.99Å; Y78-Y85 HydrophobicContact CD1-CE1 3.99Å; Y78-Y85 HydrophobicContact CE1-CD1 4.33Å; Y78-Y85 WeakPolarHBondContact O-CE1 3.44Å
79S75.4Confident82.9Confident42 Ų4251.7 Ų51.729%0.29427%0.268SS..  trans-134.4133.1164.7170.50000107.7Y85S79-Y85 PolarHBondContact OG-O 2.92Å
80N78.9Confident82.9Confident36 Ų3651.7 Ų51.719%0.19327%0.269CS..BIsolated β-bridgetrans-140.396.3176-173.6-2.4000110.3Y78 K82 V83 G84 Y85Y78-N80 HydrophobicContact CD1-CB 4.48Å; Y78-N80 HydrophobicContact CE1-CB 3.55Å; Y78-N80 HydrophobicContact CE2-CB 4.23Å; Y78-N80 VanDerWaalsContact CZ-CB 3.42Å; Y78-N80 VanDerWaalsContact OH-CB 3.27Å; Y78-N80 WeakPolarHBondContact OH-CB 3.17Å; Y78-N80 PolarHBondContact OH-ND2 3.4Å; N80-K82 PolarHBondContact O-N 3.46Å; N80-K82 VanDerWaalsContact OD1-CB 3.28Å; N80-K82 WeakPolarHBondContact OD1-CB 3.2Å; N80-K82 PolarHBondContact OD1-N 3.5Å; N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.34Å; N80-V83 PolarHBondContact O-N 2.79Å; N80-V83 VanDerWaalsContact O-N 3.08Å; N80-G84 PolarHBondContact O-N 2.53Å; N80-Y85 CarbonylContact C-O 3.6Å; N80-Y85 PolarHBondContact N-O 3.45Å; N80-Y85 PolarHBondContact O-N 3.49Å; N80-Y85 VanDerWaalsContact O-N 3.1Å
81T78.1Confident83Confident82 Ų8251.8 Ų51.850%0.50327%0.268SS..G310 helixtrans-59.1-27.8176.952.30000112.6V83 G84 E86T81-V83 PolarHBondContact O-N 2.6Å; T81-G84 PolarHBondContact O-N 3.48Å; T81-G84 VanDerWaalsContact O-N 3.13Å; T81-E86 HydrophobicContact CG2-CG 3.69Å
82K80.7Confident83.4Confident196 Ų19650.9 Ų50.985%0.85226%0.255SS*.G310 helixtrans-67.8-24.2178.4-59.4-176.1176.7-178.60112.9N80N80-K82 PolarHBondContact O-N 3.46Å; N80-K82 VanDerWaalsContact OD1-CB 3.28Å; N80-K82 WeakPolarHBondContact OD1-CB 3.2Å; N80-K82 PolarHBondContact OD1-N 3.5Å
83V82.4Confident84.1Confident75 Ų7550.9 Ų50.946%0.45525%0.254SS..G310 helixtrans-100.74177.7-176.50000110.6N80 T81 V220N80-V83 VanDerWaalsContact ND2-CG2 3.34Å; N80-V83 WeakPolarHBondContact ND2-CG2 3.34Å; N80-V83 PolarHBondContact O-N 2.79Å; N80-V83 VanDerWaalsContact O-N 3.08Å; T81-V83 PolarHBondContact O-N 2.6Å; V83-V220 HydrophobicContact CG1-CB 4.49Å; V83-V220 HydrophobicContact CG1-CG2 4.39Å; V83-V220 VanDerWaalsContact O-CG2 3.31Å; V83-V220 WeakPolarHBondContact O-CG2 3.24Å
84G85.2Confident84.7Confident15 Ų1550.2 Ų50.216%0.15525%0.251CS..THydrogen-bonded Turntrans74.430.6-177.800000113.3N80 T81 A169 D170N80-G84 PolarHBondContact O-N 2.53Å; T81-G84 PolarHBondContact O-N 3.48Å; T81-G84 VanDerWaalsContact O-N 3.13Å; G84-A169 CarbonylContact O-C 3.54Å; G84-A169 VanDerWaalsContact O-CA 3.31Å; G84-A169 WeakPolarHBondContact O-CA 3.22Å; G84-D170 PolarHBondContact O-N 3.34Å
85Y87.3Confident85.3Confident11 Ų1143 Ų434%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-126.3112.2-180177.8-115.4000112.1Y78 S79 N80 L87 F167 A169 T221 L224Y78-Y85 AromaticContact CD1-CD1 3.89Å; Y78-Y85 HydrophobicContact CD1-CD1 3.89Å; Y78-Y85 AromaticContact CD1-CE1 3.99Å; Y78-Y85 HydrophobicContact CD1-CE1 3.99Å; Y78-Y85 HydrophobicContact CE1-CD1 4.33Å; Y78-Y85 WeakPolarHBondContact O-CE1 3.44Å; S79-Y85 PolarHBondContact OG-O 2.92Å; N80-Y85 CarbonylContact C-O 3.6Å; N80-Y85 PolarHBondContact N-O 3.45Å; N80-Y85 PolarHBondContact O-N 3.49Å; N80-Y85 VanDerWaalsContact O-N 3.1Å; Y85-L87 HydrophobicContact CE1-CB 4.41Å; Y85-L87 HydrophobicContact CE2-CB 4.38Å; Y85-L87 VanDerWaalsContact OH-CD2 3.25Å; Y85-L87 WeakPolarHBondContact OH-CD2 3.36Å; Y85-F167 HydrophobicContact CE2-CD2 4.46Å; Y85-F167 AromaticContact CE2-CE2 3.81Å; Y85-F167 HydrophobicContact CE2-CE2 3.81Å; Y85-A169 HydrophobicContact CD2-CB 3.81Å; Y85-A169 HydrophobicContact CE2-CB 4.43Å; Y85-T221 HydrophobicContact CD1-CG2 3.79Å; Y85-T221 HydrophobicContact CD2-CG2 3.51Å; Y85-T221 HydrophobicContact CE1-CG2 4.17Å; Y85-T221 HydrophobicContact CE2-CG2 3.96Å; Y85-T221 HydrophobicContact CG-CG2 3.44Å; Y85-T221 VanDerWaalsContact CG-CG2 3.44Å; Y85-L224 HydrophobicContact CE2-CD1 3.66Å
86E87.9Confident86.2Confident36 Ų3642.1 Ų42.117%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-121.1116.2176.8-61.9-169.2-98.700110.8T81 Y88 F166 F167 K168T81-E86 HydrophobicContact CG2-CG 3.69Å; E86-Y88 HydrophobicContact CB-CE2 4Å; E86-Y88 HydrophobicContact CG-CE2 4.42Å; E86-Y88 VanDerWaalsContact OE2-CE2 3.3Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.44Å; E86-Y88 PolarHBondContact OE2-OH 3.13Å; E86-F166 HydrophobicContact CB-CD1 4.47Å; E86-F166 HydrophobicContact CB-CE1 4Å; E86-F167 WeakPolarHBondContact O-CA 3.36Å; E86-K168 WeakPolarHBondContact CA-O 3.3Å; E86-K168 HydrophobicContact CB-CB 4.33Å; E86-K168 PolarHBondContact N-O 2.76Å; E86-K168 PolarHBondContact O-N 3.49Å
87L88.9Confident86.9Confident9 Ų943.1 Ų43.15%0.04722%0.219CC..EExtended strand (participates in β ladder)trans-130.6115.7169.8176.757.5000107.8F76 Y85 I89 I165 F166 F167 L366F76-L87 HydrophobicContact CB-CD2 3.82Å; F76-L87 HydrophobicContact CD1-CD2 3.85Å; F76-L87 HydrophobicContact CG-CD2 4.24Å; F76-L87 WeakPolarHBondContact O-CD2 3.32Å; Y85-L87 HydrophobicContact CE1-CB 4.41Å; Y85-L87 HydrophobicContact CE2-CB 4.38Å; Y85-L87 VanDerWaalsContact OH-CD2 3.25Å; Y85-L87 WeakPolarHBondContact OH-CD2 3.36Å; L87-I89 HydrophobicContact CD1-CD1 4.36Å; L87-I89 HydrophobicContact CD1-CG1 4Å; L87-I89 HydrophobicContact CD2-CD1 4.3Å; L87-I89 HydrophobicContact CG-CD1 4.31Å; L87-I89 HydrophobicContact CG-CG1 4.18Å; L87-I165 HydrophobicContact CD1-CD1 3.9Å; L87-I165 HydrophobicContact CD1-CG1 3.88Å; L87-F166 WeakPolarHBondContact CA-O 3.45Å; L87-F167 HydrophobicContact CD1-CB 4.48Å; L87-F167 HydrophobicContact CD1-CD2 4.27Å; L87-L366 HydrophobicContact CD1-CD2 4.29Å; L87-L366 HydrophobicContact CD2-CD2 4.22Å
88Y88.8Confident87.9Confident19 Ų1945.8 Ų45.88%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-120121.3174.5-54-61.4000108.6E86 K141 I165 F166E86-Y88 HydrophobicContact CB-CE2 4Å; E86-Y88 HydrophobicContact CG-CE2 4.42Å; E86-Y88 VanDerWaalsContact OE2-CE2 3.3Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.44Å; E86-Y88 PolarHBondContact OE2-OH 3.13Å; Y88-K141 HydrophobicContact CE1-CD 3.83Å; Y88-K141 VanDerWaalsContact CE1-CE 3.42Å; Y88-K141 HydrophobicContact CE1-CG 4.23Å; Y88-K141 HydrophobicContact CE2-CD 4.21Å; Y88-K141 HydrophobicContact CE2-CG 4.43Å; Y88-K141 WeakPolarHBondContact OH-CD 3.29Å; Y88-K141 WeakPolarHBondContact OH-CE 3.47Å; Y88-K141 PolarHBondContact OH-NZ 2.94Å; Y88-I165 WeakPolarHBondContact O-CA 2.93Å; Y88-F166 HydrophobicContact CD2-CB 4.37Å; Y88-F166 AromaticContact CD2-CD1 3.61Å; Y88-F166 HydrophobicContact CD2-CD1 3.61Å; Y88-F166 HydrophobicContact CD2-CE1 4.33Å; Y88-F166 HydrophobicContact CD2-CG 4.33Å; Y88-F166 HydrophobicContact CE2-CD1 4.06Å; Y88-F166 HydrophobicContact CE2-CE1 4.34Å; Y88-F166 PolarHBondContact N-O 3.42Å; Y88-F166 PolarHBondContact O-N 3.16Å
89I89.1Confident88.9Confident35 Ų3540.9 Ų40.918%0.17921%0.211CC..EExtended strand (participates in β ladder)trans-116.4120178-57.2173.5000107.3M73 F76 L87 N91 I165M73-I89 HydrophobicContact CE-CD1 4.23Å; F76-I89 HydrophobicContact CB-CD1 3.97Å; L87-I89 HydrophobicContact CD1-CD1 4.36Å; L87-I89 HydrophobicContact CD1-CG1 4Å; L87-I89 HydrophobicContact CD2-CD1 4.3Å; L87-I89 HydrophobicContact CG-CD1 4.31Å; L87-I89 HydrophobicContact CG-CG1 4.18Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.43Å; I89-I165 HydrophobicContact CD1-CD1 4.42Å; I89-I165 HydrophobicContact CG1-CD1 4.02Å; I89-I165 HydrophobicContact CG1-CG1 3.96Å
90A90.5Very high89.8Confident2 Ų246.7 Ų46.72%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-113101.4175.900000108.7W135 K139 T140 N163 A164A90-W135 HydrophobicContact CB-CH2 3.9Å; A90-W135 HydrophobicContact CB-CZ3 3.83Å; A90-K139 HydrophobicContact CB-CB 3.69Å; A90-K139 HydrophobicContact CB-CG 4.49Å; A90-T140 HydrophobicContact CB-CG2 4.11Å; A90-N163 CarbonylContact O-C 3.53Å; A90-N163 WeakPolarHBondContact O-CA 3.48Å; A90-A164 HydrophobicContact CB-CB 4.27Å; A90-A164 PolarHBondContact N-O 3.04Å; A90-A164 PolarHBondContact O-N 3.23Å
91N90.8Very high90.6Very high13 Ų1346.3 Ų46.37%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-117.9120.4177.9-81.7-47.9000109.8I34 M38 I89 A115 N163I34-N91 HydrophobicContact CG2-CB 4.24Å; I34-N91 WeakPolarHBondContact CG2-ND2 3.17Å; M38-N91 HydrophobicContact CE-CB 3.91Å; I89-N91 WeakPolarHBondContact CG2-ND2 3.43Å; N91-A115 HydrophobicContact CB-CB 4.36Å; N91-N163 PolarHBondContact OD1-ND2 2.91Å
92R95.4Very high91.6Very high46 Ų4645 Ų4517%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-151.7144.6175.3-179.6163.3-72.7-167.11111.6F94 E118 W135 T162R92-F94 HydrophobicContact CB-CD2 4.46Å; R92-F94 HydrophobicContact CB-CE2 3.9Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 VanDerWaalsContact CD-CE1 3.44Å; R92-F94 HydrophobicContact CG-CD1 4.27Å; R92-F94 HydrophobicContact CG-CD2 4.13Å; R92-F94 HydrophobicContact CG-CE1 3.96Å; R92-F94 HydrophobicContact CG-CE2 3.79Å; R92-F94 HydrophobicContact CG-CG 4.38Å; R92-F94 HydrophobicContact CG-CZ 3.72Å; R92-E118 IonicContact CZ-OE2 3.83Å; R92-E118 IonicContact NH1-OE2 2.69Å; R92-E118 PolarHBondContact NH1-OE2 3.33Å; R92-W135 HydrophobicContact CB-CE3 4.36Å; R92-W135 HydrophobicContact CB-CH2 3.32Å; R92-W135 HydrophobicContact CB-CZ2 3.71Å; R92-W135 HydrophobicContact CB-CZ3 3.68Å; R92-W135 HydrophobicContact CG-CH2 4.4Å; R92-W135 HydrophobicContact CG-CZ2 4.38Å; R92-W135 VanDerWaalsContact CZ-CE2 3.47Å; R92-W135 VanDerWaalsContact NE-CZ2 3.32Å; R92-T162 PolarHBondContact N-O 2.93Å; R92-T162 PolarHBondContact O-N 3.44Å; R92-T162 PolarHBondContact O-OG1 3.31Å
93L97.3Very high92.4Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-93.5129.7165.9-61-177.6000108.5M38 F105 D116 M117 E118 L159 L161M38-L93 HydrophobicContact CB-CD1 3.97Å; M38-L93 HydrophobicContact CB-CG 4.31Å; M38-L93 HydrophobicContact CE-CD2 4.18Å; M38-L93 HydrophobicContact CE-CG 4.16Å; M38-L93 HydrophobicContact SD-CG 4.26Å; L93-F105 HydrophobicContact CD1-CE1 4.34Å; L93-F105 HydrophobicContact CD1-CZ 3.67Å; L93-D116 PolarHBondContact N-O 3.27Å; L93-M117 HydrophobicContact CB-CB 4.08Å; L93-M117 HydrophobicContact CB-CG 3.91Å; L93-M117 HydrophobicContact CB-SD 4.42Å; L93-M117 VanDerWaalsContact O-CA 3.28Å; L93-M117 WeakPolarHBondContact O-CA 3.18Å; L93-E118 PolarHBondContact O-N 3.29Å; L93-L159 HydrophobicContact CB-CD1 4.14Å; L93-L161 HydrophobicContact CD2-CB 4.4Å; L93-L161 HydrophobicContact CD2-CD1 3.61Å; L93-L161 HydrophobicContact CD2-CG 3.57Å
94F97.8Very high93.1Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-112.8111.5173-65.7-82.3000109R92 E118 L120 F122 I132 W135 L159 V160 T162R92-F94 HydrophobicContact CB-CD2 4.46Å; R92-F94 HydrophobicContact CB-CE2 3.9Å; R92-F94 HydrophobicContact CB-CZ 4.13Å; R92-F94 VanDerWaalsContact CD-CE1 3.44Å; R92-F94 HydrophobicContact CG-CD1 4.27Å; R92-F94 HydrophobicContact CG-CD2 4.13Å; R92-F94 HydrophobicContact CG-CE1 3.96Å; R92-F94 HydrophobicContact CG-CE2 3.79Å; R92-F94 HydrophobicContact CG-CG 4.38Å; R92-F94 HydrophobicContact CG-CZ 3.72Å; F94-E118 CarbonylContact C-O 3.56Å; F94-E118 WeakPolarHBondContact CA-O 3.36Å; F94-E118 HydrophobicContact CD1-CB 3.97Å; F94-E118 HydrophobicContact CD1-CG 4.42Å; F94-E118 HydrophobicContact CE1-CB 4.12Å; F94-E118 HydrophobicContact CE1-CG 4.47Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.44Å; F94-L120 HydrophobicContact CB-CD1 4.26Å; F94-L120 HydrophobicContact CD1-CD1 3.49Å; F94-L120 VanDerWaalsContact CD1-CD1 3.49Å; F94-L120 HydrophobicContact CD1-CG 3.97Å; F94-L120 HydrophobicContact CE1-CD1 4.06Å; F94-L120 HydrophobicContact CG-CD1 4.12Å; F94-F122 HydrophobicContact CB-CZ 4.02Å; F94-F122 WeakPolarHBondContact O-CZ 3.43Å; F94-I132 HydrophobicContact CB-CD1 4.27Å; F94-I132 HydrophobicContact CD1-CG1 4.08Å; F94-I132 HydrophobicContact CD2-CD1 4.07Å; F94-I132 HydrophobicContact CD2-CG1 3.82Å; F94-I132 HydrophobicContact CD2-CG2 4.37Å; F94-I132 HydrophobicContact CE1-CG1 4.09Å; F94-I132 HydrophobicContact CE2-CB 4.33Å; F94-I132 HydrophobicContact CE2-CG1 3.85Å; F94-I132 HydrophobicContact CE2-CG2 3.94Å; F94-I132 HydrophobicContact CG-CD1 4.1Å; F94-I132 HydrophobicContact CG-CG1 3.91Å; F94-I132 HydrophobicContact CZ-CB 4.46Å; F94-I132 HydrophobicContact CZ-CG1 3.97Å; F94-I132 HydrophobicContact CZ-CG2 4.44Å; F94-W135 HydrophobicContact CE2-CE3 4.19Å; F94-W135 HydrophobicContact CZ-CB 4.47Å; F94-W135 AromaticContact CZ-CD2 4Å; F94-W135 HydrophobicContact CZ-CD2 4Å; F94-W135 AromaticContact CZ-CE3 3.84Å; F94-W135 HydrophobicContact CZ-CE3 3.84Å; F94-W135 HydrophobicContact CZ-CG 4.25Å; F94-W135 HydrophobicContact CZ-CZ3 4.48Å; F94-L159 CarbonylContact O-C 3.52Å; F94-L159 WeakPolarHBondContact O-CA 3.42Å; F94-V160 HydrophobicContact CB-CB 4.34Å; F94-V160 PolarHBondContact N-O 2.99Å; F94-V160 PolarHBondContact O-N 3.37Å; F94-T162 HydrophobicContact CD2-CG2 3.72Å; F94-T162 HydrophobicContact CE2-CG2 3.79Å; F94-T162 VanDerWaalsContact CE2-OG1 3.27Å; F94-T162 WeakPolarHBondContact CE2-OG1 2.83Å
95G97.1Very high93.7Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-96.6160.2176.600000112.3E118 L119 L120 R158G95-E118 PolarHBondContact N-O 2.8Å; G95-L119 CarbonylContact O-C 3.15Å; G95-L119 WeakPolarHBondContact O-CA 3.18Å; G95-L120 PolarHBondContact O-N 3.5Å; G95-R158 CarbonylContact C-O 3.53Å; G95-R158 WeakPolarHBondContact CA-O 3.42Å
96Q96.6Very high94.1Very high17 Ų1746.3 Ų46.38%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-61.5147.7169.5176.255.115.700110.8L99 L120 D121 F122 R158Q96-L99 HydrophobicContact CB-CD1 4.42Å; Q96-L99 WeakPolarHBondContact O-CD1 3.48Å; Q96-L99 WeakPolarHBondContact O-CG 3.41Å; Q96-L120 CarbonylContact C-O 3.59Å; Q96-L120 WeakPolarHBondContact CA-O 3.18Å; Q96-L120 PolarHBondContact OE1-O 2.65Å; Q96-D121 PolarHBondContact NE2-OD1 3.08Å; Q96-F122 HydrophobicContact CB-CD2 3.95Å; Q96-F122 HydrophobicContact CB-CE2 4.33Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.24Å; Q96-R158 PolarHBondContact N-O 3.45Å
97S94.4Very high94.6Very high26 Ų2650.3 Ų50.318%0.18224%0.242CC..THydrogen-bonded Turntrans-53.9156.5173.7650000112.1L99 L120S97-L99 PolarHBondContact O-N 3.19Å; S97-L120 PolarHBondContact N-O 3.31Å
98E91.4Very high94.9Very high171 Ų17150.9 Ų50.980%0.79925%0.247SC*.THydrogen-bonded Turntrans70.9-2.6177.9-53.4164-157.800115.7Q100E98-Q100 PolarHBondContact O-N 3.21Å
99L93.1Very high95.2Very high28 Ų2850 Ų5015%0.14724%0.243CC..  trans-63.3130.1169.7-66.3176.2000111Q96 S97 I101 M117 L119 T300 L305Q96-L99 HydrophobicContact CB-CD1 4.42Å; Q96-L99 WeakPolarHBondContact O-CD1 3.48Å; Q96-L99 WeakPolarHBondContact O-CG 3.41Å; S97-L99 PolarHBondContact O-N 3.19Å; L99-I101 HydrophobicContact CB-CD1 4.01Å; L99-I101 PolarHBondContact O-N 3.48Å; L99-M117 HydrophobicContact CD1-CE 4.37Å; L99-L119 HydrophobicContact CB-CD1 4.39Å; L99-L119 HydrophobicContact CB-CD2 4.09Å; L99-L119 HydrophobicContact CD1-CD2 4.41Å; L99-L119 WeakPolarHBondContact O-CD1 3.36Å; L99-T300 HydrophobicContact CB-CG2 4.34Å; L99-T300 HydrophobicContact CD2-CG2 4.17Å; L99-L305 HydrophobicContact CD1-CD1 3.68Å
100Q94.5Very high95.5Very high164 Ų16452.6 Ų52.677%0.76626%0.255SS*.  trans-83.4108.7169-67.9-172.9-800109E98 T300E98-Q100 PolarHBondContact O-N 3.21Å; Q100-T300 VanDerWaalsContact O-CA 3.25Å; Q100-T300 WeakPolarHBondContact O-CA 3.38Å
101I96.3Very high95.6Very high28 Ų2857.5 Ų57.514%0.14428%0.277CS..  trans-86.2126.5179.7-53.8-53.1000109.9L99 F105 R106 M117 L119 I299 T300L99-I101 HydrophobicContact CB-CD1 4.01Å; L99-I101 PolarHBondContact O-N 3.48Å; I101-F105 HydrophobicContact CG2-CD1 3.86Å; I101-F105 HydrophobicContact CG2-CE1 4.49Å; I101-R106 HydrophobicContact CG2-CB 4.4Å; I101-M117 HydrophobicContact CD1-CE 3.71Å; I101-M117 HydrophobicContact CD1-SD 3.61Å; I101-M117 HydrophobicContact CG1-SD 4.23Å; I101-L119 HydrophobicContact CD1-CD2 4.02Å; I101-L119 HydrophobicContact CG1-CD1 4.42Å; I101-L119 HydrophobicContact CG1-CD2 4.07Å; I101-I299 WeakPolarHBondContact CA-O 2.93Å; I101-I299 HydrophobicContact CD1-CG2 3.87Å; I101-T300 HydrophobicContact CD1-CG2 4.28Å
102L97.7Very high95.7Very high55 Ų5559.2 Ų59.229%0.28829%0.285SS..  trans-64129.4177.9-67.1-178.2000110.7E104 F105 R106 I299L102-E104 PolarHBondContact O-N 3.06Å; L102-F105 HydrophobicContact CB-CB 4.37Å; L102-F105 PolarHBondContact O-N 3.45Å; L102-R106 PolarHBondContact O-N 3.42Å; L102-I299 PolarHBondContact N-O 3.33Å
103P97.7Very high95.6Very high94 Ų9457.1 Ų57.161%0.6128%0.277SS*.Hα-helixtrans-56.9-36.6179.3-26.835.3000113.5F105 R106 K107P103-F105 VanDerWaalsContact C-N 3.34Å; P103-F105 PolarHBondContact O-N 2.81Å; P103-R106 PolarHBondContact O-N 3.12Å; P103-K107 VanDerWaalsContact O-CB 3.28Å; P103-K107 WeakPolarHBondContact O-CB 3.34Å; P103-K107 PolarHBondContact O-N 3.14Å
104E97.1Very high95.2Very high134 Ų13460.3 Ų60.363%0.62630%0.299SS*.Hα-helixtrans-63.1-41.7-179.8-6177.4-169.200111.4L102 C108L102-E104 PolarHBondContact O-N 3.06Å; E104-C108 WeakPolarHBondContact O-CB 3.33Å; E104-C108 PolarHBondContact O-N 2.97Å
105F97.5Very high94.9Very high5 Ų560.7 Ų60.72%0.02230%0.302CS..Hα-helixtrans-64-52.1176.3169.4-100.8000111.5M38 V41 L93 I101 L102 P103 K107 C108 I109 M117 K298 I299M38-F105 WeakPolarHBondContact O-CE2 3.38Å; V41-F105 HydrophobicContact CB-CD2 4.41Å; V41-F105 HydrophobicContact CB-CE2 4.32Å; V41-F105 HydrophobicContact CG1-CD2 3.87Å; V41-F105 HydrophobicContact CG1-CE2 4.23Å; L93-F105 HydrophobicContact CD1-CE1 4.34Å; L93-F105 HydrophobicContact CD1-CZ 3.67Å; I101-F105 HydrophobicContact CG2-CD1 3.86Å; I101-F105 HydrophobicContact CG2-CE1 4.49Å; L102-F105 HydrophobicContact CB-CB 4.37Å; L102-F105 PolarHBondContact O-N 3.45Å; P103-F105 VanDerWaalsContact C-N 3.34Å; P103-F105 PolarHBondContact O-N 2.81Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.29Å; F105-C108 PolarHBondContact O-N 3.42Å; F105-I109 HydrophobicContact CD2-CG2 4.39Å; F105-I109 HydrophobicContact CE1-CD1 3.84Å; F105-I109 HydrophobicContact CE2-CG2 3.86Å; F105-I109 HydrophobicContact CZ-CD1 4.06Å; F105-I109 HydrophobicContact CZ-CG2 3.96Å; F105-I109 PolarHBondContact O-N 3.14Å; F105-M117 HydrophobicContact CE1-CB 4.37Å; F105-M117 HydrophobicContact CE1-SD 3.92Å; F105-K298 VanDerWaalsContact CB-O 3.27Å; F105-K298 WeakPolarHBondContact CB-O 3.45Å; F105-I299 HydrophobicContact CD1-CG1 4.47Å; F105-I299 HydrophobicContact CD1-CG2 4.09Å; F105-I299 HydrophobicContact CD2-CG1 4.04Å; F105-I299 HydrophobicContact CE1-CG1 4.23Å; F105-I299 HydrophobicContact CE1-CG2 3.95Å; F105-I299 HydrophobicContact CE2-CD1 4.22Å; F105-I299 HydrophobicContact CE2-CG1 3.8Å; F105-I299 HydrophobicContact CG-CG1 4.39Å; F105-I299 HydrophobicContact CZ-CD1 4Å; F105-I299 HydrophobicContact CZ-CG1 3.89Å; F105-I299 HydrophobicContact CZ-CG2 4.41Å
106R97Very high94.6Very high90 Ų9062.9 Ų62.934%0.3431%0.314SS..Hα-helixtrans-58.3-45.8180176.2172.7-85.6156.31.2110.9I101 L102 P103 C108 I109 Q110 D116 M117I101-R106 HydrophobicContact CG2-CB 4.4Å; L102-R106 PolarHBondContact O-N 3.42Å; P103-R106 PolarHBondContact O-N 3.12Å; R106-C108 VanDerWaalsContact C-N 3.35Å; R106-C108 PolarHBondContact O-N 3.17Å; R106-I109 VanDerWaalsContact O-CG1 3.27Å; R106-I109 WeakPolarHBondContact O-CG1 3.27Å; R106-I109 PolarHBondContact O-N 3.39Å; R106-Q110 HydrophobicContact CG-CG 4.32Å; R106-Q110 WeakPolarHBondContact O-CB 2.88Å; R106-Q110 VanDerWaalsContact O-CG 3.25Å; R106-Q110 WeakPolarHBondContact O-CG 3.12Å; R106-Q110 PolarHBondContact O-N 3.05Å; R106-D116 IonicContact CZ-OD1 3.64Å; R106-D116 IonicContact NE-OD1 3.53Å; R106-D116 PolarHBondContact NE-OD1 3.28Å; R106-D116 VanDerWaalsContact NE-OD1 3.08Å; R106-M117 PolarHBondContact NH2-O 3.36Å
107K97.1Very high94.6Very high120 Ų12062.1 Ų62.152%0.52231%0.311SS..Hα-helixtrans-57.2-48176.6-178.8-179.8177.6-173.70111.4P103 F105 I109 Q110 E111P103-K107 VanDerWaalsContact O-CB 3.28Å; P103-K107 WeakPolarHBondContact O-CB 3.34Å; P103-K107 PolarHBondContact O-N 3.14Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.29Å; K107-I109 PolarHBondContact O-N 3.46Å; K107-Q110 PolarHBondContact O-N 3.02Å; K107-E111 VanDerWaalsContact CE-CD 3.47Å; K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 HydrophobicContact CG-CG 4.3Å; K107-E111 IonicContact NZ-OE1 3.66Å; K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 WeakPolarHBondContact O-CG 3.46Å; K107-E111 PolarHBondContact O-N 2.99Å
108C96.4Very high94.7Very high22 Ų2263.3 Ų63.315%0.14931%0.313CS..Hα-helixtrans-61.5-43.9-178.6-172.90000112.6V41 E104 F105 R106 H112V41-C108 HydrophobicContact CG1-CB 3.72Å; V41-C108 WeakPolarHBondContact CG1-SG 3.43Å; E104-C108 WeakPolarHBondContact O-CB 3.33Å; E104-C108 PolarHBondContact O-N 2.97Å; F105-C108 PolarHBondContact O-N 3.42Å; R106-C108 VanDerWaalsContact C-N 3.35Å; R106-C108 PolarHBondContact O-N 3.17Å; C108-H112 WeakPolarHBondContact O-CB 3.16Å; C108-H112 PolarHBondContact O-CD2 3.23Å; C108-H112 PolarHBondContact O-N 2.76Å
109I95.4Very high95Very high0 Ų058.1 Ų58.10%029%0.291CS..Hα-helixtrans-71.1-33178.865.4170.2000112.7M38 V41 F105 R106 K107 Y113 S114 A115 M117M38-I109 HydrophobicContact CB-CG2 4.04Å; M38-I109 HydrophobicContact CG-CB 4.34Å; M38-I109 HydrophobicContact CG-CG2 4.19Å; V41-I109 HydrophobicContact CB-CG2 4.36Å; V41-I109 HydrophobicContact CG1-CG2 4.33Å; F105-I109 HydrophobicContact CD2-CG2 4.39Å; F105-I109 HydrophobicContact CE1-CD1 3.84Å; F105-I109 HydrophobicContact CE2-CG2 3.86Å; F105-I109 HydrophobicContact CZ-CD1 4.06Å; F105-I109 HydrophobicContact CZ-CG2 3.96Å; F105-I109 PolarHBondContact O-N 3.14Å; R106-I109 VanDerWaalsContact O-CG1 3.27Å; R106-I109 WeakPolarHBondContact O-CG1 3.27Å; R106-I109 PolarHBondContact O-N 3.39Å; K107-I109 PolarHBondContact O-N 3.46Å; I109-Y113 CarbonylContact O-C 3.47Å; I109-Y113 WeakPolarHBondContact O-CA 3.25Å; I109-Y113 WeakPolarHBondContact O-CB 3.27Å; I109-Y113 PolarHBondContact O-N 2.91Å; I109-S114 PolarHBondContact O-N 3.37Å; I109-A115 CarbonylContact C-O 3.56Å; I109-A115 PolarHBondContact O-N 3.03Å; I109-M117 HydrophobicContact CD1-CB 4.29Å
110Q94.4Very high95.2Very high89 Ų8957.6 Ų57.642%0.41629%0.288SS..Hα-helixtrans-67.2-46.1175-73.3173.4-17.100111.2R106 K107 S114 A115 D116R106-Q110 HydrophobicContact CG-CG 4.32Å; R106-Q110 WeakPolarHBondContact O-CB 2.88Å; R106-Q110 VanDerWaalsContact O-CG 3.25Å; R106-Q110 WeakPolarHBondContact O-CG 3.12Å; R106-Q110 PolarHBondContact O-N 3.05Å; K107-Q110 PolarHBondContact O-N 3.02Å; Q110-S114 PolarHBondContact O-N 3.48Å; Q110-A115 WeakPolarHBondContact CA-O 3.43Å; Q110-A115 VanDerWaalsContact CG-O 3.26Å; Q110-A115 WeakPolarHBondContact CG-O 3.25Å; Q110-A115 PolarHBondContact N-O 2.74Å; Q110-D116 PolarHBondContact NE2-OD2 3.17Å
111E93.5Very high95.3Very high105 Ų10552.5 Ų52.549%0.49127%0.266SS..Hα-helixtrans-72.2-41.8-177.4-72.1178.5168.200113.2K107K107-E111 VanDerWaalsContact CE-CD 3.47Å; K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 HydrophobicContact CG-CG 4.3Å; K107-E111 IonicContact NZ-OE1 3.66Å; K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 WeakPolarHBondContact O-CG 3.46Å; K107-E111 PolarHBondContact O-N 2.99Å
112H92.7Very high95.4Very high50 Ų5051.1 Ų51.123%0.23126%0.259CS..Hα-helixtrans-101.4-23.7-171.2-60.8-62.6000114.6N66 M69 S70 C108N66-H112 HydrophobicContact CB-CB 4.27Å; N66-H112 PolarHBondContact O-ND1 3.31Å; M69-H112 CarbonylContact C-O 3.52Å; S70-H112 WeakPolarHBondContact CA-O 3.27Å; S70-H112 PolarHBondContact N-O 3.39Å; C108-H112 WeakPolarHBondContact O-CB 3.16Å; C108-H112 PolarHBondContact O-CD2 3.23Å; C108-H112 PolarHBondContact O-N 2.76Å
113Y91.7Very high95.3Very high2 Ų254.9 Ų54.91%0.00827%0.273CS..Hα-helixtrans-119.8-1.3-175-59.9-97.6000113I34 M38 V41 N66 M69 I109 A115I34-Y113 HydrophobicContact CG2-CD1 4.16Å; M38-Y113 HydrophobicContact CG-CD1 4.19Å; M38-Y113 HydrophobicContact CG-CG 3.98Å; V41-Y113 HydrophobicContact CG2-CE2 3.64Å; N66-Y113 WeakPolarHBondContact OD1-CE2 3.27Å; N66-Y113 PolarHBondContact OD1-OH 3.42Å; M69-Y113 HydrophobicContact CB-CD1 4.26Å; M69-Y113 HydrophobicContact CB-CE1 3.69Å; M69-Y113 HydrophobicContact CE-CD1 4.22Å; M69-Y113 HydrophobicContact CE-CE1 3.86Å; M69-Y113 HydrophobicContact CG-CE1 3.69Å; I109-Y113 CarbonylContact O-C 3.47Å; I109-Y113 WeakPolarHBondContact O-CA 3.25Å; I109-Y113 WeakPolarHBondContact O-CB 3.27Å; I109-Y113 PolarHBondContact O-N 2.91Å; Y113-A115 PolarHBondContact O-N 3.33Å
114S89.6Confident95.3Very high66 Ų6655.6 Ų55.646%0.46227%0.266SS..SBendtrans51.738.3-176.8-57.60000112.5I109 Q110I109-S114 PolarHBondContact O-N 3.37Å; Q110-S114 PolarHBondContact O-N 3.48Å
115A91.3Very high95.2Very high8 Ų850.3 Ų50.37%0.06624%0.244CC..  trans-135.6171-171.900000111.4M38 N91 I109 Q110 Y113M38-A115 HydrophobicContact CE-CB 4.27Å; M38-A115 HydrophobicContact CG-CB 4.3Å; M38-A115 HydrophobicContact SD-CB 3.16Å; M38-A115 WeakPolarHBondContact SD-CB 3.38Å; N91-A115 HydrophobicContact CB-CB 4.36Å; I109-A115 CarbonylContact C-O 3.56Å; I109-A115 PolarHBondContact O-N 3.03Å; Q110-A115 WeakPolarHBondContact CA-O 3.43Å; Q110-A115 VanDerWaalsContact CG-O 3.26Å; Q110-A115 WeakPolarHBondContact CG-O 3.25Å; Q110-A115 PolarHBondContact N-O 2.74Å; Y113-A115 PolarHBondContact O-N 3.33Å
116D92Very high95.1Very high46 Ų4656 Ų5625%0.24627%0.274CS..EExtended strand (participates in β ladder)trans-143.5170.6-179-155.6-8.6000110.7L93 R106 Q110L93-D116 PolarHBondContact N-O 3.27Å; R106-D116 IonicContact CZ-OD1 3.64Å; R106-D116 IonicContact NE-OD1 3.53Å; R106-D116 PolarHBondContact NE-OD1 3.28Å; R106-D116 VanDerWaalsContact NE-OD1 3.08Å; Q110-D116 PolarHBondContact NE2-OD2 3.17Å
117M95.2Very high95.1Very high2 Ų257.5 Ų57.51%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-116.9127.4171.7-176.5171.9-177.800110.5L93 L99 I101 F105 R106 I109 L119 L159 I299L93-M117 HydrophobicContact CB-CB 4.08Å; L93-M117 HydrophobicContact CB-CG 3.91Å; L93-M117 HydrophobicContact CB-SD 4.42Å; L93-M117 VanDerWaalsContact O-CA 3.28Å; L93-M117 WeakPolarHBondContact O-CA 3.18Å; L99-M117 HydrophobicContact CD1-CE 4.37Å; I101-M117 HydrophobicContact CD1-CE 3.71Å; I101-M117 HydrophobicContact CD1-SD 3.61Å; I101-M117 HydrophobicContact CG1-SD 4.23Å; F105-M117 HydrophobicContact CE1-CB 4.37Å; F105-M117 HydrophobicContact CE1-SD 3.92Å; R106-M117 PolarHBondContact NH2-O 3.36Å; I109-M117 HydrophobicContact CD1-CB 4.29Å; M117-L119 HydrophobicContact CE-CD2 4.11Å; M117-L159 HydrophobicContact CE-CD1 3.82Å; M117-I299 HydrophobicContact CE-CG2 4.12Å; M117-I299 HydrophobicContact SD-CG2 3.71Å
118E97Very high95.1Very high50 Ų5052 Ų5223%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-110.8148.6175.9-176.5171.9-17300110.3R92 L93 F94 G95 L120 H131R92-E118 IonicContact CZ-OE2 3.83Å; R92-E118 IonicContact NH1-OE2 2.69Å; R92-E118 PolarHBondContact NH1-OE2 3.33Å; L93-E118 PolarHBondContact O-N 3.29Å; F94-E118 CarbonylContact C-O 3.56Å; F94-E118 WeakPolarHBondContact CA-O 3.36Å; F94-E118 HydrophobicContact CD1-CB 3.97Å; F94-E118 HydrophobicContact CD1-CG 4.42Å; F94-E118 HydrophobicContact CE1-CB 4.12Å; F94-E118 HydrophobicContact CE1-CG 4.47Å; F94-E118 WeakPolarHBondContact CE1-OE2 3.44Å; G95-E118 PolarHBondContact N-O 2.8Å; E118-L120 HydrophobicContact CG-CD2 4.21Å; E118-H131 IonicContact OE1-CD2 3.94Å; E118-H131 IonicContact OE1-CE1 3.95Å; E118-H131 PolarHBondContact OE1-CE1 3.27Å; E118-H131 IonicContact OE1-NE2 2.85Å; E118-H131 PolarHBondContact OE1-NE2 3.5Å; E118-H131 IonicContact OE2-NE2 3.98Å; E118-H131 PolarHBondContact OE2-NE2 3.3Å
119L97.6Very high95.2Very high62 Ų6251.1 Ų51.133%0.32526%0.256SS..EExtended strand (participates in β ladder)trans-107.3128.9178.2-55.6-177.1000110G95 L99 I101 M117G95-L119 CarbonylContact O-C 3.15Å; G95-L119 WeakPolarHBondContact O-CA 3.18Å; L99-L119 HydrophobicContact CB-CD1 4.39Å; L99-L119 HydrophobicContact CB-CD2 4.09Å; L99-L119 HydrophobicContact CD1-CD2 4.41Å; L99-L119 WeakPolarHBondContact O-CD1 3.36Å; I101-L119 HydrophobicContact CD1-CD2 4.02Å; I101-L119 HydrophobicContact CG1-CD1 4.42Å; I101-L119 HydrophobicContact CG1-CD2 4.07Å; M117-L119 HydrophobicContact CE-CD2 4.11Å
120L97.6Very high95.2Very high18 Ų1857 Ų579%0.09428%0.282CS..EExtended strand (participates in β ladder)trans-126.5149.7179.9-58.4179.4000110.2F94 G95 Q96 S97 E118 F122 A128 H131 I132F94-L120 HydrophobicContact CB-CD1 4.26Å; F94-L120 HydrophobicContact CD1-CD1 3.49Å; F94-L120 VanDerWaalsContact CD1-CD1 3.49Å; F94-L120 HydrophobicContact CD1-CG 3.97Å; F94-L120 HydrophobicContact CE1-CD1 4.06Å; F94-L120 HydrophobicContact CG-CD1 4.12Å; G95-L120 PolarHBondContact O-N 3.5Å; Q96-L120 CarbonylContact C-O 3.59Å; Q96-L120 WeakPolarHBondContact CA-O 3.18Å; Q96-L120 PolarHBondContact OE1-O 2.65Å; S97-L120 PolarHBondContact N-O 3.31Å; E118-L120 HydrophobicContact CG-CD2 4.21Å; L120-F122 HydrophobicContact CB-CD1 4.29Å; L120-F122 HydrophobicContact CB-CE1 3.96Å; L120-F122 HydrophobicContact CB-CZ 4.5Å; L120-F122 HydrophobicContact CD1-CE1 4.2Å; L120-F122 PolarHBondContact O-N 3.2Å; L120-A128 HydrophobicContact CB-CB 4.31Å; L120-A128 HydrophobicContact CD1-CB 4.37Å; L120-H131 VanDerWaalsContact CD2-CD2 3.46Å; L120-H131 WeakPolarHBondContact CD2-CD2 2.81Å; L120-I132 HydrophobicContact CD1-CD1 4.09Å; L120-I132 HydrophobicContact CD1-CG1 3.74Å
121D97.4Very high95.4Very high56 Ų5656.2 Ų56.230%0.29928%0.278SS..  trans-8394.2171.7-175.410.1000110.6Q96 K123 K124Q96-D121 PolarHBondContact NE2-OD1 3.08Å; D121-K123 PolarHBondContact O-N 2.99Å; D121-K123 WeakPolarHBondContact OD1-CB 3.31Å; D121-K123 WeakPolarHBondContact OD1-CG 3.38Å; D121-K123 PolarHBondContact OD1-N 2.95Å; D121-K124 PolarHBondContact O-N 2.88Å
122F97.3Very high95.6Very high0 Ų051.2 Ų51.20%025%0.254CS..THydrogen-bonded Turntrans-68.6-10.9178.2-60.4-46000113.9F94 Q96 L120 K124 S125 A128 I132 I153 N154 T157 V160F94-F122 HydrophobicContact CB-CZ 4.02Å; F94-F122 WeakPolarHBondContact O-CZ 3.43Å; Q96-F122 HydrophobicContact CB-CD2 3.95Å; Q96-F122 HydrophobicContact CB-CE2 4.33Å; Q96-F122 VanDerWaalsContact OE1-CD2 3.24Å; L120-F122 HydrophobicContact CB-CD1 4.29Å; L120-F122 HydrophobicContact CB-CE1 3.96Å; L120-F122 HydrophobicContact CB-CZ 4.5Å; L120-F122 HydrophobicContact CD1-CE1 4.2Å; L120-F122 PolarHBondContact O-N 3.2Å; F122-K124 PolarHBondContact O-N 2.85Å; F122-S125 PolarHBondContact O-N 3.34Å; F122-S125 PolarHBondContact O-OG 2.49Å; F122-A128 HydrophobicContact CD1-CB 3.73Å; F122-A128 HydrophobicContact CE1-CB 4.22Å; F122-I132 HydrophobicContact CE1-CD1 4.36Å; F122-I153 HydrophobicContact CB-CG2 3.91Å; F122-I153 HydrophobicContact CD1-CG2 3.54Å; F122-I153 HydrophobicContact CE1-CD1 4.43Å; F122-I153 HydrophobicContact CE1-CG2 4.35Å; F122-I153 HydrophobicContact CG-CG2 4.01Å; F122-N154 CarbonylContact O-C 3.48Å; F122-T157 HydrophobicContact CD1-CG2 4.34Å; F122-T157 HydrophobicContact CD2-CG2 3.57Å; F122-T157 WeakPolarHBondContact CD2-O 3.35Å; F122-T157 HydrophobicContact CE1-CG2 4.43Å; F122-T157 HydrophobicContact CE2-CG2 3.66Å; F122-T157 HydrophobicContact CG-CG2 3.93Å; F122-T157 HydrophobicContact CZ-CG2 4.11Å; F122-V160 HydrophobicContact CE1-CG2 4.36Å; F122-V160 HydrophobicContact CE2-CG2 4.4Å; F122-V160 HydrophobicContact CZ-CG2 3.88Å
123K96Very high95.9Very high134 Ų13449.5 Ų49.558%0.58325%0.247SC*.THydrogen-bonded Turntrans-63.6-29.1167.3-58.5172.9-177.5167.50110.7D121 S125D121-K123 PolarHBondContact O-N 2.99Å; D121-K123 WeakPolarHBondContact OD1-CB 3.31Å; D121-K123 WeakPolarHBondContact OD1-CG 3.38Å; D121-K123 PolarHBondContact OD1-N 2.95Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.95Å
124K96.7Very high96.2Very high108 Ų10852.8 Ų52.847%0.4727%0.265SS..SBendtrans-91.962.9169.2-57.6-169.4-173.1-177.60110.7D121 F122 L126 E127 A128D121-K124 PolarHBondContact O-N 2.88Å; F122-K124 PolarHBondContact O-N 2.85Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 3.02Å; K124-L126 VanDerWaalsContact O-N 3.16Å; K124-E127 HydrophobicContact CB-CB 4.16Å; K124-E127 HydrophobicContact CB-CG 4.43Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 IonicContact NZ-OE2 2.79Å; K124-E127 PolarHBondContact O-N 3.18Å; K124-A128 PolarHBondContact O-N 2.75Å
125S96.3Very high96.5Very high23 Ų2350.7 Ų50.716%0.16125%0.247CC..Hα-helixtrans-57-38.8-165.1-47.80000114.4F122 K123 C129 I153 N154F122-S125 PolarHBondContact O-N 3.34Å; F122-S125 PolarHBondContact O-OG 2.49Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.95Å; S125-C129 VanDerWaalsContact O-CB 3.25Å; S125-C129 WeakPolarHBondContact O-CB 3.27Å; S125-C129 PolarHBondContact O-N 2.75Å; S125-I153 WeakPolarHBondContact CB-O 3.36Å; S125-N154 WeakPolarHBondContact OG-CA 3.41Å
126L95.6Very high96.7Very high125 Ų12550.3 Ų50.365%0.65424%0.243SC*.Hα-helixtrans-67.2-41.5177.9-174.865000112.5K124 K130K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 3.02Å; K124-L126 VanDerWaalsContact O-N 3.16Å; L126-K130 WeakPolarHBondContact O-CB 3.24Å; L126-K130 PolarHBondContact O-N 2.79Å
127E96.8Very high97Very high122 Ų12250.9 Ų50.957%0.5725%0.245SC*.Hα-helixtrans-66.4-45.5177.2-67.2177.9-165.900110.7K124 C129 K130 H131K124-E127 HydrophobicContact CB-CB 4.16Å; K124-E127 HydrophobicContact CB-CG 4.43Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 IonicContact NZ-OE2 2.79Å; K124-E127 PolarHBondContact O-N 3.18Å; E127-C129 PolarHBondContact O-N 3.48Å; E127-K130 PolarHBondContact O-N 2.94Å; E127-H131 WeakPolarHBondContact O-CB 3.2Å; E127-H131 PolarHBondContact O-N 3.36Å
128A97.3Very high97.1Very high5 Ų556.6 Ų56.64%0.04127%0.271CS..Hα-helixtrans-63.2-42.3177.600000112L120 F122 K124 H131 I132 I153L120-A128 HydrophobicContact CB-CB 4.31Å; L120-A128 HydrophobicContact CD1-CB 4.37Å; F122-A128 HydrophobicContact CD1-CB 3.73Å; F122-A128 HydrophobicContact CE1-CB 4.22Å; K124-A128 PolarHBondContact O-N 2.75Å; A128-H131 PolarHBondContact O-N 2.97Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.38Å; A128-I153 HydrophobicContact CB-CG2 4.36Å
129C96.9Very high96.8Very high2 Ų258.3 Ų58.31%0.01428%0.278CS..Hα-helixtrans-61.7-44.9175.7-177.40000111.9S125 E127 I132 N133 I148 P149 I153S125-C129 VanDerWaalsContact O-CB 3.25Å; S125-C129 WeakPolarHBondContact O-CB 3.27Å; S125-C129 PolarHBondContact O-N 2.75Å; E127-C129 PolarHBondContact O-N 3.48Å; C129-I132 PolarHBondContact O-N 2.76Å; C129-N133 PolarHBondContact O-N 3.34Å; C129-N133 VanDerWaalsContact O-N 3.13Å; C129-I148 HydrophobicContact CB-CD1 4.45Å; C129-P149 PolarHBondContact SG-O 3.39Å; C129-I153 HydrophobicContact CB-CG1 4.18Å
130K97.2Very high96.6Very high125 Ų12555.4 Ų55.454%0.54326%0.263SS..Hα-helixtrans-60.7-46176.3-175.5-177.8-178.5-62.30111L126 E127 I132 N133 D134L126-K130 WeakPolarHBondContact O-CB 3.24Å; L126-K130 PolarHBondContact O-N 2.79Å; E127-K130 PolarHBondContact O-N 2.94Å; K130-I132 PolarHBondContact O-N 2.87Å; K130-N133 PolarHBondContact O-N 2.72Å; K130-D134 IonicContact NZ-OD1 3.8Å; K130-D134 IonicContact NZ-OD2 2.84Å; K130-D134 PolarHBondContact NZ-OD2 2.73Å; K130-D134 WeakPolarHBondContact O-CB 3.35Å; K130-D134 PolarHBondContact O-N 3.09Å
131H98Very high96.3Very high72 Ų7260.7 Ų60.733%0.33329%0.285SS..Hα-helixtrans-58.9-44.3179.2-173.388.6000112.6E118 L120 E127 A128 D134 W135E118-H131 IonicContact OE1-CD2 3.94Å; E118-H131 IonicContact OE1-CE1 3.95Å; E118-H131 PolarHBondContact OE1-CE1 3.27Å; E118-H131 IonicContact OE1-NE2 2.85Å; E118-H131 PolarHBondContact OE1-NE2 3.5Å; E118-H131 IonicContact OE2-NE2 3.98Å; E118-H131 PolarHBondContact OE2-NE2 3.3Å; L120-H131 VanDerWaalsContact CD2-CD2 3.46Å; L120-H131 WeakPolarHBondContact CD2-CD2 2.81Å; E127-H131 WeakPolarHBondContact O-CB 3.2Å; E127-H131 PolarHBondContact O-N 3.36Å; A128-H131 PolarHBondContact O-N 2.97Å; H131-D134 PolarHBondContact O-N 2.79Å; H131-W135 VanDerWaalsContact O-CB 3.27Å; H131-W135 WeakPolarHBondContact O-CB 3.34Å; H131-W135 PolarHBondContact O-N 3.27Å
132I97.8Very high96.1Very high0 Ų059.5 Ų59.50%029%0.286CS..Hα-helixtrans-61.4-47.7176.9-68.1169.7000110.7F94 L120 F122 A128 C129 K130 W135 V136 I148 I153 T162F94-I132 HydrophobicContact CB-CD1 4.27Å; F94-I132 HydrophobicContact CD1-CG1 4.08Å; F94-I132 HydrophobicContact CD2-CD1 4.07Å; F94-I132 HydrophobicContact CD2-CG1 3.82Å; F94-I132 HydrophobicContact CD2-CG2 4.37Å; F94-I132 HydrophobicContact CE1-CG1 4.09Å; F94-I132 HydrophobicContact CE2-CB 4.33Å; F94-I132 HydrophobicContact CE2-CG1 3.85Å; F94-I132 HydrophobicContact CE2-CG2 3.94Å; F94-I132 HydrophobicContact CG-CD1 4.1Å; F94-I132 HydrophobicContact CG-CG1 3.91Å; F94-I132 HydrophobicContact CZ-CB 4.46Å; F94-I132 HydrophobicContact CZ-CG1 3.97Å; F94-I132 HydrophobicContact CZ-CG2 4.44Å; L120-I132 HydrophobicContact CD1-CD1 4.09Å; L120-I132 HydrophobicContact CD1-CG1 3.74Å; F122-I132 HydrophobicContact CE1-CD1 4.36Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.38Å; C129-I132 PolarHBondContact O-N 2.76Å; K130-I132 PolarHBondContact O-N 2.87Å; I132-W135 PolarHBondContact O-N 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.33Å; I132-V136 PolarHBondContact O-N 2.69Å; I132-I148 HydrophobicContact CB-CD1 3.97Å; I132-I148 HydrophobicContact CD1-CD1 3.76Å; I132-I148 HydrophobicContact CG1-CD1 4.46Å; I132-I148 HydrophobicContact CG2-CD1 3.85Å; I132-I148 HydrophobicContact CG2-CG1 4.25Å; I132-I148 HydrophobicContact CG2-CG2 4.45Å; I132-I153 HydrophobicContact CD1-CD1 4.24Å; I132-T162 HydrophobicContact CG2-CG2 3.78Å
133N97.8Very high95.8Very high14 Ų1463.9 Ų63.98%0.07531%0.305CS..Hα-helixtrans-65.6-43.1-179.8-76.6-24.5000112.3C129 K130 W135 V136 E137 L147 I148C129-N133 PolarHBondContact O-N 3.34Å; C129-N133 VanDerWaalsContact O-N 3.13Å; K130-N133 PolarHBondContact O-N 2.72Å; N133-W135 VanDerWaalsContact C-N 3.33Å; N133-W135 PolarHBondContact O-N 3Å; N133-V136 PolarHBondContact O-N 3.4Å; N133-E137 WeakPolarHBondContact O-CB 2.8Å; N133-E137 PolarHBondContact O-N 3.15Å; N133-L147 PolarHBondContact OD1-N 2.74Å; N133-I148 PolarHBondContact ND2-O 3.02Å; N133-I148 PolarHBondContact OD1-N 2.98Å
134D98Very high95.5Very high71 Ų7157.5 Ų57.538%0.3828%0.277SS..Hα-helixtrans-61-42.8175.8-70-12.6000111.1K130 H131 E137 E138K130-D134 IonicContact NZ-OD1 3.8Å; K130-D134 IonicContact NZ-OD2 2.84Å; K130-D134 PolarHBondContact NZ-OD2 2.73Å; K130-D134 WeakPolarHBondContact O-CB 3.35Å; K130-D134 PolarHBondContact O-N 3.09Å; H131-D134 PolarHBondContact O-N 2.79Å; D134-E137 PolarHBondContact O-N 3.32Å; D134-E138 WeakPolarHBondContact O-CB 3.46Å; D134-E138 PolarHBondContact O-N 3.31Å
135W97.5Very high95.4Very high21 Ų2156.9 Ų56.98%0.0827%0.274CS..Hα-helixtrans-63.2-44.6177.9177.285.3000112A90 R92 F94 H131 I132 N133 E137 E138 K139A90-W135 HydrophobicContact CB-CH2 3.9Å; A90-W135 HydrophobicContact CB-CZ3 3.83Å; R92-W135 HydrophobicContact CB-CE3 4.36Å; R92-W135 HydrophobicContact CB-CH2 3.32Å; R92-W135 HydrophobicContact CB-CZ2 3.71Å; R92-W135 HydrophobicContact CB-CZ3 3.68Å; R92-W135 HydrophobicContact CG-CH2 4.4Å; R92-W135 HydrophobicContact CG-CZ2 4.38Å; R92-W135 VanDerWaalsContact CZ-CE2 3.47Å; R92-W135 VanDerWaalsContact NE-CZ2 3.32Å; F94-W135 HydrophobicContact CE2-CE3 4.19Å; F94-W135 HydrophobicContact CZ-CB 4.47Å; F94-W135 AromaticContact CZ-CD2 4Å; F94-W135 HydrophobicContact CZ-CD2 4Å; F94-W135 AromaticContact CZ-CE3 3.84Å; F94-W135 HydrophobicContact CZ-CE3 3.84Å; F94-W135 HydrophobicContact CZ-CG 4.25Å; F94-W135 HydrophobicContact CZ-CZ3 4.48Å; H131-W135 VanDerWaalsContact O-CB 3.27Å; H131-W135 WeakPolarHBondContact O-CB 3.34Å; H131-W135 PolarHBondContact O-N 3.27Å; I132-W135 PolarHBondContact O-N 3.31Å; N133-W135 VanDerWaalsContact C-N 3.33Å; N133-W135 PolarHBondContact O-N 3Å; W135-E137 VanDerWaalsContact C-N 3.32Å; W135-E137 PolarHBondContact O-N 3.32Å; W135-E138 PolarHBondContact O-N 3.43Å; W135-K139 HydrophobicContact CD2-CG 4.04Å; W135-K139 HydrophobicContact CH2-CG 4.17Å; W135-K139 HydrophobicContact CZ2-CD 4.49Å; W135-K139 HydrophobicContact CZ2-CG 3.62Å; W135-K139 WeakPolarHBondContact O-CG 3.45Å; W135-K139 PolarHBondContact O-N 2.93Å
136V95.8Very high95.3Very high0 Ų061.1 Ų61.10%030%0.295CS..Hα-helixtrans-62.2-43.3175.7172.60000110.6I132 N133 E138 K139 T140 I144 L147 A164I132-V136 WeakPolarHBondContact O-CG2 3.33Å; I132-V136 PolarHBondContact O-N 2.69Å; N133-V136 PolarHBondContact O-N 3.4Å; V136-E138 VanDerWaalsContact C-N 3.35Å; V136-E138 PolarHBondContact O-N 3.28Å; V136-K139 PolarHBondContact O-N 3.46Å; V136-T140 HydrophobicContact CG1-CG2 4.34Å; V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 VanDerWaalsContact O-CG2 3.31Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 2.75Å; V136-T140 PolarHBondContact O-OG1 3.08Å; V136-I144 HydrophobicContact CG1-CB 4.14Å; V136-I144 HydrophobicContact CG1-CG2 3.84Å; V136-L147 HydrophobicContact CB-CB 4.43Å; V136-L147 HydrophobicContact CG1-CB 4.23Å; V136-L147 HydrophobicContact CG2-CB 4.1Å; V136-L147 HydrophobicContact CG2-CD2 3.56Å; V136-L147 HydrophobicContact CG2-CG 4.45Å; V136-A164 HydrophobicContact CG1-CB 3.52Å
137E96.9Very high95.3Very high58 Ų5855.2 Ų55.227%0.27126%0.264SS..Hα-helixtrans-60.9-45.1177.9-171.4172178.300111N133 D134 W135 T140 K141 G142 I144 K145N133-E137 WeakPolarHBondContact O-CB 2.8Å; N133-E137 PolarHBondContact O-N 3.15Å; D134-E137 PolarHBondContact O-N 3.32Å; W135-E137 VanDerWaalsContact C-N 3.32Å; W135-E137 PolarHBondContact O-N 3.32Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.33Å; E137-T140 PolarHBondContact O-OG1 3.19Å; E137-K141 PolarHBondContact O-N 3.44Å; E137-G142 PolarHBondContact O-N 3.25Å; E137-I144 VanDerWaalsContact CA-O 3.24Å; E137-I144 WeakPolarHBondContact CA-O 3.36Å; E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CE 3.14Å; E137-K145 IonicContact OE1-NZ 3.45Å; E137-K145 PolarHBondContact OE1-NZ 3.4Å
138E96.6Very high95.1Very high123 Ų12349.5 Ų49.558%0.57524%0.238SC*.Hα-helixtrans-59.5-52.3175.4-172.1-154123.700111.6D134 W135 V136 T140 K141D134-E138 WeakPolarHBondContact O-CB 3.46Å; D134-E138 PolarHBondContact O-N 3.31Å; W135-E138 PolarHBondContact O-N 3.43Å; V136-E138 VanDerWaalsContact C-N 3.35Å; V136-E138 PolarHBondContact O-N 3.28Å; E138-T140 PolarHBondContact O-N 3.37Å; E138-K141 PolarHBondContact O-N 3Å
139K92.6Very high94.9Very high86 Ų8651.8 Ų51.837%0.37425%0.252SS..Hα-helixtrans-66.4-22.2-177.3-66.4-47.1175.7-151.40113.7A90 W135 V136A90-K139 HydrophobicContact CB-CB 3.69Å; A90-K139 HydrophobicContact CB-CG 4.49Å; W135-K139 HydrophobicContact CD2-CG 4.04Å; W135-K139 HydrophobicContact CH2-CG 4.17Å; W135-K139 HydrophobicContact CZ2-CD 4.49Å; W135-K139 HydrophobicContact CZ2-CG 3.62Å; W135-K139 WeakPolarHBondContact O-CG 3.45Å; W135-K139 PolarHBondContact O-N 2.93Å; V136-K139 PolarHBondContact O-N 3.46Å
140T91.5Very high94.5Very high0 Ų058.6 Ų58.60%028%0.282CS..THydrogen-bonded Turntrans-101.811.8175.565.50000112.9A90 V136 E137 E138 G142 K143 I144 A164A90-T140 HydrophobicContact CB-CG2 4.11Å; V136-T140 HydrophobicContact CG1-CG2 4.34Å; V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 VanDerWaalsContact O-CG2 3.31Å; V136-T140 WeakPolarHBondContact O-CG2 3.46Å; V136-T140 PolarHBondContact O-N 2.75Å; V136-T140 PolarHBondContact O-OG1 3.08Å; E137-T140 CarbonylContact O-C 3.59Å; E137-T140 PolarHBondContact O-N 3.33Å; E137-T140 PolarHBondContact O-OG1 3.19Å; E138-T140 PolarHBondContact O-N 3.37Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 2.88Å; T140-K143 WeakPolarHBondContact O-CB 3.47Å; T140-K143 WeakPolarHBondContact O-CG 3.43Å; T140-K143 PolarHBondContact O-N 3.28Å; T140-K143 VanDerWaalsContact O-N 3.07Å; T140-I144 HydrophobicContact CG2-CB 3.98Å; T140-I144 HydrophobicContact CG2-CD1 4.06Å; T140-I144 HydrophobicContact CG2-CG1 4.1Å; T140-I144 PolarHBondContact OG1-N 3.37Å; T140-I144 PolarHBondContact OG1-O 2.9Å; T140-A164 HydrophobicContact CG2-CB 4.45Å
141K92Very high94.1Very high130 Ų13060 Ų6057%0.56529%0.29SS*.THydrogen-bonded Turntrans52.243.8-179.8-57-168.8-173.4166.50113.7Y88 E137 E138 K143Y88-K141 HydrophobicContact CE1-CD 3.83Å; Y88-K141 VanDerWaalsContact CE1-CE 3.42Å; Y88-K141 HydrophobicContact CE1-CG 4.23Å; Y88-K141 HydrophobicContact CE2-CD 4.21Å; Y88-K141 HydrophobicContact CE2-CG 4.43Å; Y88-K141 WeakPolarHBondContact OH-CD 3.29Å; Y88-K141 WeakPolarHBondContact OH-CE 3.47Å; Y88-K141 PolarHBondContact OH-NZ 2.94Å; E137-K141 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 3Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 3.01Å
142G93.2Very high93.8Very high30 Ų3057.2 Ų57.231%0.30928%0.279SS..THydrogen-bonded Turntrans79.63.3179.300000114.7E137 T140 K145E137-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 2.88Å; G142-K145 WeakPolarHBondContact O-CE 3.28Å
143K90.5Very high93.7Very high92 Ų9257.6 Ų57.640%0.428%0.281SS..SBendtrans-84.1-31.1-174-59.3-60.4-178.3-171.90113.6T140 K141 F166T140-K143 WeakPolarHBondContact O-CB 3.47Å; T140-K143 WeakPolarHBondContact O-CG 3.43Å; T140-K143 PolarHBondContact O-N 3.28Å; T140-K143 VanDerWaalsContact O-N 3.07Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 3.01Å; K143-F166 HydrophobicContact CB-CB 4.2Å; K143-F166 HydrophobicContact CB-CD1 4.31Å; K143-F166 HydrophobicContact CB-CD2 3.42Å; K143-F166 VanDerWaalsContact CB-CD2 3.42Å; K143-F166 HydrophobicContact CB-CE2 3.76Å; K143-F166 HydrophobicContact CB-CG 3.71Å; K143-F166 HydrophobicContact CB-CZ 4.33Å; K143-F166 HydrophobicContact CD-CD2 4.46Å; K143-F166 HydrophobicContact CD-CE1 4.44Å; K143-F166 HydrophobicContact CD-CE2 3.93Å; K143-F166 HydrophobicContact CD-CZ 3.91Å; K143-F166 HydrophobicContact CG-CD1 4.1Å; K143-F166 HydrophobicContact CG-CD2 3.91Å; K143-F166 HydrophobicContact CG-CE1 4.04Å; K143-F166 HydrophobicContact CG-CE2 3.85Å; K143-F166 HydrophobicContact CG-CG 4.02Å; K143-F166 HydrophobicContact CG-CZ 3.91Å
144I91.1Very high93.6Very high1 Ų160.2 Ų60.21%0.00530%0.296CS..SBendtrans-118.8120.1176-59.3-175.1000108V136 E137 T140 A164 I165 F166 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 3.36Å; T140-I144 HydrophobicContact CG2-CB 3.98Å; T140-I144 HydrophobicContact CG2-CD1 4.06Å; T140-I144 HydrophobicContact CG2-CG1 4.1Å; T140-I144 PolarHBondContact OG1-N 3.37Å; T140-I144 PolarHBondContact OG1-O 2.9Å; I144-A164 HydrophobicContact CD1-CB 3.9Å; I144-A164 HydrophobicContact CG2-CB 4.07Å; I144-I165 WeakPolarHBondContact CD1-O 3.27Å; I144-F166 HydrophobicContact CD1-CB 4.05Å; I144-F166 HydrophobicContact CG1-CB 4.24Å; I144-K313 HydrophobicContact CG2-CB 4.12Å; I144-K313 HydrophobicContact CG2-CD 3.53Å; I144-K313 HydrophobicContact CG2-CG 3.73Å
145K93.8Very high93.4Very high95 Ų9560.2 Ų60.241%0.41330%0.299SS..  trans-119.8159178.5-50.1-171-175.2-132.50109.5E137 G142 L147 K313E137-K145 HydrophobicContact CG-CG 4.13Å; E137-K145 WeakPolarHBondContact OE1-CE 3.14Å; E137-K145 IonicContact OE1-NZ 3.45Å; E137-K145 PolarHBondContact OE1-NZ 3.4Å; G142-K145 WeakPolarHBondContact O-CE 3.28Å; K145-L147 PolarHBondContact O-N 3.49Å; K145-K313 PolarHBondContact O-NZ 3.38Å
146D94.2Very high93.3Very high112 Ų11264.8 Ų64.860%0.59933%0.325SS*.  trans49.354.5171.9-53.7-57.4000112.3I148D146-I148 VanDerWaalsContact C-N 3.31Å
147L94.7Very high93.3Very high0 Ų064.9 Ų64.90%033%0.325CS..  trans-59.4-45.2177.7169.763.9000110.8N133 V136 K145 T162 V273 F311 K313N133-L147 PolarHBondContact OD1-N 2.74Å; V136-L147 HydrophobicContact CB-CB 4.43Å; V136-L147 HydrophobicContact CG1-CB 4.23Å; V136-L147 HydrophobicContact CG2-CB 4.1Å; V136-L147 HydrophobicContact CG2-CD2 3.56Å; V136-L147 HydrophobicContact CG2-CG 4.45Å; K145-L147 PolarHBondContact O-N 3.49Å; L147-T162 HydrophobicContact CD2-CG2 3.91Å; L147-V273 WeakPolarHBondContact O-CG1 3.44Å; L147-F311 HydrophobicContact CD1-CB 4.09Å; L147-F311 HydrophobicContact CG-CB 4.17Å; L147-K313 HydrophobicContact CD1-CB 3.31Å
148I94Very high93.3Very high3 Ų365.6 Ų65.62%0.01533%0.325CS..SBendtrans-114139.6-178.169.8173.7000110.4C129 I132 N133 D146 A152 I153 F311C129-I148 HydrophobicContact CB-CD1 4.45Å; I132-I148 HydrophobicContact CB-CD1 3.97Å; I132-I148 HydrophobicContact CD1-CD1 3.76Å; I132-I148 HydrophobicContact CG1-CD1 4.46Å; I132-I148 HydrophobicContact CG2-CD1 3.85Å; I132-I148 HydrophobicContact CG2-CG1 4.25Å; I132-I148 HydrophobicContact CG2-CG2 4.45Å; N133-I148 PolarHBondContact ND2-O 3.02Å; N133-I148 PolarHBondContact OD1-N 2.98Å; D146-I148 VanDerWaalsContact C-N 3.31Å; I148-A152 HydrophobicContact CB-CB 4.04Å; I148-A152 HydrophobicContact CD1-CB 4.35Å; I148-A152 HydrophobicContact CG1-CB 4.46Å; I148-I153 HydrophobicContact CD1-CD1 3.94Å; I148-I153 HydrophobicContact CD1-CG1 3.79Å; I148-F311 HydrophobicContact CB-CD1 4.43Å; I148-F311 HydrophobicContact CB-CD2 4.23Å; I148-F311 HydrophobicContact CB-CE1 4.4Å; I148-F311 HydrophobicContact CB-CE2 4.17Å; I148-F311 HydrophobicContact CB-CG 4.36Å; I148-F311 HydrophobicContact CB-CZ 4.29Å; I148-F311 HydrophobicContact CG2-CB 3.86Å; I148-F311 HydrophobicContact CG2-CD1 3.93Å; I148-F311 HydrophobicContact CG2-CD2 3.28Å; I148-F311 HydrophobicContact CG2-CE1 4.29Å; I148-F311 HydrophobicContact CG2-CE2 3.68Å; I148-F311 HydrophobicContact CG2-CG 3.42Å; I148-F311 VanDerWaalsContact CG2-CG 3.42Å; I148-F311 HydrophobicContact CG2-CZ 4.19Å
149P92.8Very high93.4Very high53 Ų5359.7 Ų59.734%0.34430%0.298SS..  trans-66.3155.7175.226.8-32.2000110.8C129 E151 A152 F311C129-P149 PolarHBondContact SG-O 3.39Å; P149-E151 PolarHBondContact O-N 3.41Å; P149-E151 VanDerWaalsContact O-N 3.09Å; P149-A152 HydrophobicContact CG-CB 3.92Å; P149-A152 WeakPolarHBondContact O-CB 3.18Å; P149-A152 PolarHBondContact O-N 2.7Å; P149-F311 HydrophobicContact CG-CE1 4.49Å
150K88.3Confident93.6Very high145 Ų14555.6 Ų55.663%0.6328%0.28SS*.THydrogen-bonded Turntrans-59.6-26.7-175.1-68.5-179.9-179175.70113
151E90Very high93.9Very high153 Ų15355.8 Ų55.872%0.71528%0.281SS*.THydrogen-bonded Turntrans-92.80.2-178.6-54.573.1-157.900113.1P149 I153P149-E151 PolarHBondContact O-N 3.41Å; P149-E151 VanDerWaalsContact O-N 3.09Å; E151-I153 VanDerWaalsContact C-N 3.29Å; E151-I153 PolarHBondContact O-N 2.89Å
152A91Very high94.1Very high14 Ų1449.6 Ų49.612%0.11625%0.254CS..SBendtrans-64.7-30.6-178.200000113.9I148 P149 F311I148-A152 HydrophobicContact CB-CB 4.04Å; I148-A152 HydrophobicContact CD1-CB 4.35Å; I148-A152 HydrophobicContact CG1-CB 4.46Å; P149-A152 HydrophobicContact CG-CB 3.92Å; P149-A152 WeakPolarHBondContact O-CB 3.18Å; P149-A152 PolarHBondContact O-N 2.7Å; A152-F311 HydrophobicContact CB-CE1 4.32Å; A152-F311 HydrophobicContact CB-CE2 4.06Å; A152-F311 HydrophobicContact CB-CZ 3.51Å
153I95.2Very high94.1Very high8 Ų848.2 Ų48.24%0.04124%0.239CC..  trans-104.2137.2-175.7-53.8-58.7000109.1F122 S125 A128 C129 I132 I148 E151 T157 V160F122-I153 HydrophobicContact CB-CG2 3.91Å; F122-I153 HydrophobicContact CD1-CG2 3.54Å; F122-I153 HydrophobicContact CE1-CD1 4.43Å; F122-I153 HydrophobicContact CE1-CG2 4.35Å; F122-I153 HydrophobicContact CG-CG2 4.01Å; S125-I153 WeakPolarHBondContact CB-O 3.36Å; A128-I153 HydrophobicContact CB-CG2 4.36Å; C129-I153 HydrophobicContact CB-CG1 4.18Å; I132-I153 HydrophobicContact CD1-CD1 4.24Å; I148-I153 HydrophobicContact CD1-CD1 3.94Å; I148-I153 HydrophobicContact CD1-CG1 3.79Å; E151-I153 VanDerWaalsContact C-N 3.29Å; E151-I153 PolarHBondContact O-N 2.89Å; I153-T157 HydrophobicContact CD1-CG2 4.22Å; I153-V160 HydrophobicContact CD1-CG2 3.64Å
154N95.2Very high94.2Very high70 Ų7043.8 Ų43.837%0.37422%0.22SC..  trans-141.4169.8173.465.267.3000110.2F122 S125 L156 T157F122-N154 CarbonylContact O-C 3.48Å; S125-N154 WeakPolarHBondContact OG-CA 3.41Å; N154-L156 PolarHBondContact O-N 2.92Å; N154-L156 WeakPolarHBondContact OD1-CA 3.45Å; N154-L156 VanDerWaalsContact OD1-CB 3.28Å; N154-L156 WeakPolarHBondContact OD1-CB 3.49Å; N154-L156 PolarHBondContact OD1-N 3.49Å; N154-T157 PolarHBondContact N-OG1 3.29Å; N154-T157 VanDerWaalsContact N-OG1 3.11Å; N154-T157 VanDerWaalsContact O-CB 3.23Å; N154-T157 WeakPolarHBondContact O-CB 3.4Å; N154-T157 PolarHBondContact O-N 3.41Å; N154-T157 PolarHBondContact O-OG1 3.23Å; N154-T157 PolarHBondContact OD1-N 3.46Å
155P95.1Very high94.3Very high71 Ų7143.8 Ų43.846%0.46122%0.22SC..THydrogen-bonded Turntrans-62.1-14.9-177.8-26.636.7000115.5R158P155-R158 PolarHBondContact O-NH1 3.4Å; P155-R158 VanDerWaalsContact O-NH1 3.1Å
156L94.4Very high94.2Very high117 Ų11739.5 Ų39.561%0.61320%0.202SC*.THydrogen-bonded Turntrans-91.5-6175.8-57.1177.4000112.9N154 R158 Y306N154-L156 PolarHBondContact O-N 2.92Å; N154-L156 WeakPolarHBondContact OD1-CA 3.45Å; N154-L156 VanDerWaalsContact OD1-CB 3.28Å; N154-L156 WeakPolarHBondContact OD1-CB 3.49Å; N154-L156 PolarHBondContact OD1-N 3.49Å; L156-R158 VanDerWaalsContact C-NH1 3.3Å; L156-R158 PolarHBondContact O-NH1 2.99Å; L156-Y306 PolarHBondContact O-OH 2.81Å
157T96.6Very high93.9Very high1 Ų134.2 Ų34.21%0.00617%0.173CC..  trans-58.9139.5172.8-58.10000110F122 I153 N154 V160 S308F122-T157 HydrophobicContact CD1-CG2 4.34Å; F122-T157 HydrophobicContact CD2-CG2 3.57Å; F122-T157 WeakPolarHBondContact CD2-O 3.35Å; F122-T157 HydrophobicContact CE1-CG2 4.43Å; F122-T157 HydrophobicContact CE2-CG2 3.66Å; F122-T157 HydrophobicContact CG-CG2 3.93Å; F122-T157 HydrophobicContact CZ-CG2 4.11Å; I153-T157 HydrophobicContact CD1-CG2 4.22Å; N154-T157 PolarHBondContact N-OG1 3.29Å; N154-T157 VanDerWaalsContact N-OG1 3.11Å; N154-T157 VanDerWaalsContact O-CB 3.23Å; N154-T157 WeakPolarHBondContact O-CB 3.4Å; N154-T157 PolarHBondContact O-N 3.41Å; N154-T157 PolarHBondContact O-OG1 3.23Å; N154-T157 PolarHBondContact OD1-N 3.46Å; T157-V160 HydrophobicContact CG2-CG2 3.43Å; T157-V160 VanDerWaalsContact CG2-CG2 3.43Å; T157-S308 WeakPolarHBondContact CA-OG 3.44Å
158R96.4Very high93.6Very high73 Ų7337.7 Ų37.728%0.27519%0.188SC..  trans-124.6-43.1-178.4-66-62.3176.1-96-0.2113.2G95 Q96 P155 L156 L305 Y306 S308G95-R158 CarbonylContact C-O 3.53Å; G95-R158 WeakPolarHBondContact CA-O 3.42Å; Q96-R158 PolarHBondContact N-O 3.45Å; P155-R158 PolarHBondContact O-NH1 3.4Å; P155-R158 VanDerWaalsContact O-NH1 3.1Å; L156-R158 VanDerWaalsContact C-NH1 3.3Å; L156-R158 PolarHBondContact O-NH1 2.99Å; R158-L305 HydrophobicContact CB-CD1 4.09Å; R158-Y306 HydrophobicContact CB-CD1 4.3Å; R158-Y306 HydrophobicContact CB-CE1 4.09Å; R158-Y306 HydrophobicContact CG-CD1 4.06Å; R158-Y306 HydrophobicContact CG-CE1 3.43Å; R158-Y306 VanDerWaalsContact CG-CE1 3.43Å; R158-S308 PolarHBondContact N-OG 2.96Å
159L97.9Very high93.4Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-146132.5177177.364.5000109.9L93 F94 M117 L161 L296 I299 L305 Y306 V307 S308 E309L93-L159 HydrophobicContact CB-CD1 4.14Å; F94-L159 CarbonylContact O-C 3.52Å; F94-L159 WeakPolarHBondContact O-CA 3.42Å; M117-L159 HydrophobicContact CE-CD1 3.82Å; L159-L161 HydrophobicContact CD2-CD1 4.05Å; L159-L161 HydrophobicContact CG-CD1 3.89Å; L159-L296 HydrophobicContact CD2-CD1 3.7Å; L159-I299 HydrophobicContact CD2-CD1 4.23Å; L159-L305 HydrophobicContact CB-CD1 3.97Å; L159-L305 HydrophobicContact CB-CG 4.35Å; L159-L305 HydrophobicContact CD2-CD2 4.26Å; L159-L305 HydrophobicContact CD2-CG 4.4Å; L159-Y306 WeakPolarHBondContact CB-O 3.49Å; L159-Y306 PolarHBondContact N-O 2.77Å; L159-V307 HydrophobicContact CD2-CG2 3.81Å; L159-V307 HydrophobicContact CG-CG2 4.36Å; L159-S308 PolarHBondContact O-N 2.8Å; L159-E309 PolarHBondContact O-N 2.85Å
160V97.7Very high93.4Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-119.9125.7176-175.20000109.1F94 F122 I153 T157 T162 E309 F311F94-V160 HydrophobicContact CB-CB 4.34Å; F94-V160 PolarHBondContact N-O 2.99Å; F94-V160 PolarHBondContact O-N 3.37Å; F122-V160 HydrophobicContact CE1-CG2 4.36Å; F122-V160 HydrophobicContact CE2-CG2 4.4Å; F122-V160 HydrophobicContact CZ-CG2 3.88Å; I153-V160 HydrophobicContact CD1-CG2 3.64Å; T157-V160 HydrophobicContact CG2-CG2 3.43Å; T157-V160 VanDerWaalsContact CG2-CG2 3.43Å; V160-T162 HydrophobicContact CG1-CG2 3.93Å; V160-E309 WeakPolarHBondContact CA-O 3.46Å; V160-F311 HydrophobicContact CG1-CD2 4.04Å; V160-F311 HydrophobicContact CG1-CE2 4.18Å
161L97.2Very high93.7Very high3 Ų330.2 Ų30.22%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-92122.4171.8-83.253.9000108.3L36 T39 L93 L159 M288 V307 E309 A310 F311L36-L161 HydrophobicContact CD2-CD2 3.93Å; T39-L161 WeakPolarHBondContact OG1-CD2 3.36Å; L93-L161 HydrophobicContact CD2-CB 4.4Å; L93-L161 HydrophobicContact CD2-CD1 3.61Å; L93-L161 HydrophobicContact CD2-CG 3.57Å; L159-L161 HydrophobicContact CD2-CD1 4.05Å; L159-L161 HydrophobicContact CG-CD1 3.89Å; L161-M288 HydrophobicContact CD2-CE 4.1Å; L161-V307 HydrophobicContact CD1-CB 4.35Å; L161-V307 HydrophobicContact CD1-CG1 3.82Å; L161-V307 HydrophobicContact CD1-CG2 3.6Å; L161-V307 HydrophobicContact CD2-CG1 4.46Å; L161-V307 HydrophobicContact CD2-CG2 4.4Å; L161-E309 PolarHBondContact N-O 2.92Å; L161-A310 HydrophobicContact CB-CB 3.93Å; L161-A310 HydrophobicContact CD2-CB 4.41Å; L161-A310 WeakPolarHBondContact O-CA 3.44Å; L161-F311 PolarHBondContact O-N 2.96Å
162T95.8Very high93.9Very high0 Ų027.7 Ų27.70%014%0.141CC..EExtended strand (participates in β ladder)trans-118.7129.9176.861.50000110.5R92 F94 I132 L147 V160R92-T162 PolarHBondContact N-O 2.93Å; R92-T162 PolarHBondContact O-N 3.44Å; R92-T162 PolarHBondContact O-OG1 3.31Å; F94-T162 HydrophobicContact CD2-CG2 3.72Å; F94-T162 HydrophobicContact CE2-CG2 3.79Å; F94-T162 VanDerWaalsContact CE2-OG1 3.27Å; F94-T162 WeakPolarHBondContact CE2-OG1 2.83Å; I132-T162 HydrophobicContact CG2-CG2 3.78Å; L147-T162 HydrophobicContact CD2-CG2 3.91Å; V160-T162 HydrophobicContact CG1-CG2 3.93Å
163N93.7Very high94.1Very high1 Ų129.2 Ų29.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-134.5122.8172.4175.2-121.8000109.8S31 I32 A35 A90 N91 F311 H312 K313S31-N163 VanDerWaalsContact C-OD1 3.32Å; S31-N163 WeakPolarHBondContact CB-ND2 3.45Å; S31-N163 WeakPolarHBondContact CB-OD1 3.09Å; S31-N163 PolarHBondContact O-ND2 3.49Å; S31-N163 PolarHBondContact OG-ND2 2.78Å; S31-N163 PolarHBondContact OG-OD1 2.92Å; I32-N163 PolarHBondContact N-OD1 3.06Å; A35-N163 HydrophobicContact CB-CB 4.06Å; A90-N163 CarbonylContact O-C 3.53Å; A90-N163 WeakPolarHBondContact O-CA 3.48Å; N91-N163 PolarHBondContact OD1-ND2 2.91Å; N163-F311 PolarHBondContact N-O 2.96Å; N163-H312 CarbonylContact O-C 3.53Å; N163-H312 VanDerWaalsContact O-CA 3.25Å; N163-H312 WeakPolarHBondContact O-CA 3.49Å; N163-H312 PolarHBondContact OD1-CE1 2.86Å; N163-H312 VanDerWaalsContact OD1-CE1 3.23Å; N163-H312 PolarHBondContact OD1-ND1 2.81Å; N163-K313 PolarHBondContact O-N 2.83Å
164A93.8Very high94.1Very high0 Ų031.2 Ų31.20%016%0.162CC..EExtended strand (participates in β ladder)trans-131.7139.5170.300000110.3A90 V136 T140 I144 K313A90-A164 HydrophobicContact CB-CB 4.27Å; A90-A164 PolarHBondContact N-O 3.04Å; A90-A164 PolarHBondContact O-N 3.23Å; V136-A164 HydrophobicContact CG1-CB 3.52Å; T140-A164 HydrophobicContact CG2-CB 4.45Å; I144-A164 HydrophobicContact CD1-CB 3.9Å; I144-A164 HydrophobicContact CG2-CB 4.07Å; A164-K313 VanDerWaalsContact CA-O 3.27Å; A164-K313 WeakPolarHBondContact CA-O 3.1Å
165I92Very high94.1Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-141.8123.2-179.6-173.9177.3000111.8S28 L87 Y88 I89 I144 K313 A314 F315 L366 F367S28-I165 VanDerWaalsContact CB-CG2 3.42Å; S28-I165 WeakPolarHBondContact OG-CD1 3.48Å; L87-I165 HydrophobicContact CD1-CD1 3.9Å; L87-I165 HydrophobicContact CD1-CG1 3.88Å; Y88-I165 WeakPolarHBondContact O-CA 2.93Å; I89-I165 HydrophobicContact CD1-CD1 4.42Å; I89-I165 HydrophobicContact CG1-CD1 4.02Å; I89-I165 HydrophobicContact CG1-CG1 3.96Å; I144-I165 WeakPolarHBondContact CD1-O 3.27Å; I165-K313 PolarHBondContact N-O 2.95Å; I165-A314 HydrophobicContact CG2-CB 4.03Å; I165-A314 WeakPolarHBondContact O-CA 3.29Å; I165-F315 PolarHBondContact O-N 3.04Å; I165-L366 HydrophobicContact CD1-CD1 3.83Å; I165-L366 HydrophobicContact CD1-CG 4.26Å; I165-F367 HydrophobicContact CB-CZ 4.45Å; I165-F367 HydrophobicContact CD1-CE1 4.37Å; I165-F367 HydrophobicContact CD1-CE2 3.89Å; I165-F367 HydrophobicContact CD1-CZ 3.6Å; I165-F367 HydrophobicContact CG1-CE1 4.47Å; I165-F367 HydrophobicContact CG1-CE2 4.4Å; I165-F367 HydrophobicContact CG1-CZ 3.72Å; I165-F367 HydrophobicContact CG2-CE1 3.89Å; I165-F367 HydrophobicContact CG2-CZ 4.01Å
166F91.4Very high94.1Very high6 Ų632.1 Ų32.13%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-108.8129.6173.6174.6-92.4000109.2E86 L87 Y88 K143 I144 K168 F315E86-F166 HydrophobicContact CB-CD1 4.47Å; E86-F166 HydrophobicContact CB-CE1 4Å; L87-F166 WeakPolarHBondContact CA-O 3.45Å; Y88-F166 HydrophobicContact CD2-CB 4.37Å; Y88-F166 AromaticContact CD2-CD1 3.61Å; Y88-F166 HydrophobicContact CD2-CD1 3.61Å; Y88-F166 HydrophobicContact CD2-CE1 4.33Å; Y88-F166 HydrophobicContact CD2-CG 4.33Å; Y88-F166 HydrophobicContact CE2-CD1 4.06Å; Y88-F166 HydrophobicContact CE2-CE1 4.34Å; Y88-F166 PolarHBondContact N-O 3.42Å; Y88-F166 PolarHBondContact O-N 3.16Å; K143-F166 HydrophobicContact CB-CB 4.2Å; K143-F166 HydrophobicContact CB-CD1 4.31Å; K143-F166 HydrophobicContact CB-CD2 3.42Å; K143-F166 VanDerWaalsContact CB-CD2 3.42Å; K143-F166 HydrophobicContact CB-CE2 3.76Å; K143-F166 HydrophobicContact CB-CG 3.71Å; K143-F166 HydrophobicContact CB-CZ 4.33Å; K143-F166 HydrophobicContact CD-CD2 4.46Å; K143-F166 HydrophobicContact CD-CE1 4.44Å; K143-F166 HydrophobicContact CD-CE2 3.93Å; K143-F166 HydrophobicContact CD-CZ 3.91Å; K143-F166 HydrophobicContact CG-CD1 4.1Å; K143-F166 HydrophobicContact CG-CD2 3.91Å; K143-F166 HydrophobicContact CG-CE1 4.04Å; K143-F166 HydrophobicContact CG-CE2 3.85Å; K143-F166 HydrophobicContact CG-CG 4.02Å; K143-F166 HydrophobicContact CG-CZ 3.91Å; I144-F166 HydrophobicContact CD1-CB 4.05Å; I144-F166 HydrophobicContact CG1-CB 4.24Å; F166-K168 HydrophobicContact CE1-CB 3.62Å; F166-K168 HydrophobicContact CZ-CB 3.67Å; F166-K168 HydrophobicContact CZ-CD 4.25Å; F166-F315 HydrophobicContact CD2-CB 4Å; F166-F315 AromaticContact CD2-CD1 3.57Å; F166-F315 HydrophobicContact CD2-CD1 3.57Å; F166-F315 HydrophobicContact CD2-CE1 4.28Å; F166-F315 AromaticContact CD2-CG 3.92Å; F166-F315 HydrophobicContact CD2-CG 3.92Å; F166-F315 AromaticContact CE2-CD1 3.41Å; F166-F315 HydrophobicContact CE2-CD1 3.41Å; F166-F315 VanDerWaalsContact CE2-CD1 3.41Å; F166-F315 AromaticContact CE2-CE1 3.66Å; F166-F315 HydrophobicContact CE2-CE1 3.66Å; F166-F315 HydrophobicContact CE2-CG 4.12Å; F166-F315 HydrophobicContact CE2-CZ 4.49Å
167F89.6Confident94.1Very high1 Ų131 Ų310%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-128.6130173.5177.1-91.1000111.1Y85 E86 L87 A169 Y219 L224 F315 I357 L366 F367Y85-F167 HydrophobicContact CE2-CD2 4.46Å; Y85-F167 AromaticContact CE2-CE2 3.81Å; Y85-F167 HydrophobicContact CE2-CE2 3.81Å; E86-F167 WeakPolarHBondContact O-CA 3.36Å; L87-F167 HydrophobicContact CD1-CB 4.48Å; L87-F167 HydrophobicContact CD1-CD2 4.27Å; F167-A169 HydrophobicContact CE1-CB 3.8Å; F167-A169 HydrophobicContact CE2-CB 4.01Å; F167-A169 HydrophobicContact CZ-CB 3.37Å; F167-Y219 HydrophobicContact CE1-CE1 4.08Å; F167-Y219 AromaticContact CE1-CE2 3.86Å; F167-Y219 HydrophobicContact CE1-CE2 3.86Å; F167-Y219 AromaticContact CE1-CZ 3.62Å; F167-Y219 AromaticContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CE1 4.31Å; F167-Y219 AromaticContact CZ-CE2 3.71Å; F167-Y219 HydrophobicContact CZ-CE2 3.71Å; F167-Y219 HydrophobicContact CZ-CG 4.36Å; F167-Y219 AromaticContact CZ-CZ 3.91Å; F167-L224 HydrophobicContact CE2-CD1 3.55Å; F167-L224 HydrophobicContact CZ-CD1 4.12Å; F167-F315 PolarHBondContact N-O 3Å; F167-I357 HydrophobicContact CD1-CD1 3.47Å; F167-I357 VanDerWaalsContact CD1-CD1 3.47Å; F167-I357 HydrophobicContact CE1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CG1 4.47Å; F167-I357 HydrophobicContact CE2-CG2 4.47Å; F167-I357 HydrophobicContact CG-CD1 4.2Å; F167-I357 HydrophobicContact CZ-CD1 4.03Å; F167-I357 HydrophobicContact CZ-CG2 4.19Å; F167-L366 HydrophobicContact CD2-CD2 4.35Å; F167-F367 HydrophobicContact CB-CD2 4.32Å; F167-F367 HydrophobicContact CB-CE1 4.49Å; F167-F367 HydrophobicContact CB-CE2 3.31Å; F167-F367 HydrophobicContact CB-CZ 3.4Å; F167-F367 HydrophobicContact CD2-CE2 4.18Å; F167-F367 HydrophobicContact CG-CD2 4.47Å; F167-F367 AromaticContact CG-CE2 3.78Å; F167-F367 HydrophobicContact CG-CE2 3.78Å; F167-F367 HydrophobicContact CG-CZ 4.35Å
168K87.8Confident94.1Very high72 Ų7235.4 Ų35.431%0.31319%0.19SC..EExtended strand (participates in β ladder)trans-145.5122.2169179.9176.2-178.9171.30108.6E86 F166E86-K168 WeakPolarHBondContact CA-O 3.3Å; E86-K168 HydrophobicContact CB-CB 4.33Å; E86-K168 PolarHBondContact N-O 2.76Å; E86-K168 PolarHBondContact O-N 3.49Å; F166-K168 HydrophobicContact CE1-CB 3.62Å; F166-K168 HydrophobicContact CZ-CB 3.67Å; F166-K168 HydrophobicContact CZ-CD 4.25Å
169A89.1Confident94Very high13 Ų1335.3 Ų35.311%0.10719%0.194CC..EExtended strand (participates in β ladder)trans-141140.4178.800000110.6G84 Y85 F167 Y219G84-A169 CarbonylContact O-C 3.54Å; G84-A169 VanDerWaalsContact O-CA 3.31Å; G84-A169 WeakPolarHBondContact O-CA 3.22Å; Y85-A169 HydrophobicContact CD2-CB 3.81Å; Y85-A169 HydrophobicContact CE2-CB 4.43Å; F167-A169 HydrophobicContact CE1-CB 3.8Å; F167-A169 HydrophobicContact CE2-CB 4.01Å; F167-A169 HydrophobicContact CZ-CB 3.37Å; A169-Y219 HydrophobicContact CB-CD1 3.4Å; A169-Y219 VanDerWaalsContact CB-CD1 3.4Å; A169-Y219 HydrophobicContact CB-CE1 3.87Å; A169-Y219 HydrophobicContact CB-CG 3.77Å; A169-Y219 WeakPolarHBondContact O-CD1 3.37Å; A169-Y219 VanDerWaalsContact O-CE1 3.29Å; A169-Y219 WeakPolarHBondContact O-CE1 3.28Å
170D92.6Very high94Very high25 Ų2536.4 Ų36.413%0.13420%0.201CC..  trans-70.9140.4174-79.38.8000110G84 Y219 V220 G322 S323G84-D170 PolarHBondContact O-N 3.34Å; D170-Y219 CarbonylContact O-C 3.51Å; D170-Y219 WeakPolarHBondContact O-CA 3.43Å; D170-Y219 WeakPolarHBondContact O-CD1 3.11Å; D170-V220 HydrophobicContact CB-CB 4.46Å; D170-V220 HydrophobicContact CB-CG1 3.61Å; D170-V220 HydrophobicContact CB-CG2 4.01Å; D170-V220 WeakPolarHBondContact O-CG1 3.17Å; D170-V220 WeakPolarHBondContact O-CG2 3.37Å; D170-V220 PolarHBondContact O-N 2.65Å; D170-G322 WeakPolarHBondContact OD2-CA 3.4Å; D170-S323 PolarHBondContact OD2-N 3.29Å
171W95Very high94Very high6 Ų642.3 Ų42.32%0.02323%0.227CC..BIsolated β-bridgetrans-65.1143.8171.3-60116.8000111.2T173 F175 I217 Y219 V220 M226 V318 N319W171-T173 WeakPolarHBondContact CB-O 3.48Å; W171-T173 PolarHBondContact O-N 3.23Å; W171-F175 AromaticContact CD1-CD2 3.91Å; W171-F175 AromaticContact NE1-CD2 3.94Å; W171-F175 AromaticContact NE1-CE2 3.97Å; W171-I217 HydrophobicContact CD2-CG2 4.07Å; W171-I217 HydrophobicContact CE3-CB 4.16Å; W171-I217 HydrophobicContact CE3-CG2 3.44Å; W171-I217 VanDerWaalsContact CE3-CG2 3.44Å; W171-I217 HydrophobicContact CZ3-CB 3.91Å; W171-I217 HydrophobicContact CZ3-CG2 3.73Å; W171-Y219 HydrophobicContact CD2-CD1 4.35Å; W171-Y219 HydrophobicContact CD2-CE1 4.12Å; W171-Y219 AromaticContact CE3-CD1 3.68Å; W171-Y219 HydrophobicContact CE3-CD1 3.68Å; W171-Y219 AromaticContact CE3-CE1 3.54Å; W171-Y219 HydrophobicContact CE3-CE1 3.54Å; W171-Y219 HydrophobicContact CE3-CG 4.35Å; W171-Y219 AromaticContact CH2-CE1 3.69Å; W171-Y219 HydrophobicContact CH2-CE1 3.69Å; W171-Y219 AromaticContact CH2-CZ 3.63Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.38Å; W171-Y219 HydrophobicContact CZ2-CE1 4.22Å; W171-Y219 AromaticContact CZ3-CD1 3.84Å; W171-Y219 HydrophobicContact CZ3-CD1 3.84Å; W171-Y219 HydrophobicContact CZ3-CD2 4.43Å; W171-Y219 AromaticContact CZ3-CE1 3.32Å; W171-Y219 HydrophobicContact CZ3-CE1 3.32Å; W171-Y219 AromaticContact CZ3-CE2 3.98Å; W171-Y219 HydrophobicContact CZ3-CE2 3.98Å; W171-Y219 HydrophobicContact CZ3-CG 4.38Å; W171-Y219 AromaticContact CZ3-CZ 3.39Å; W171-V220 WeakPolarHBondContact O-CG1 3.48Å; W171-M226 HydrophobicContact CH2-CB 3.75Å; W171-M226 HydrophobicContact CH2-CG 4.27Å; W171-M226 HydrophobicContact CH2-SD 3.7Å; W171-M226 HydrophobicContact CZ3-CB 3.77Å; W171-V318 HydrophobicContact CZ2-CG1 4.12Å; W171-N319 PolarHBondContact NE1-O 3.44Å
172K94.2Very high94.1Very high101 Ų10150.2 Ų50.244%0.43926%0.261SS..SBendtrans-58.6-39.5169.6-175.4-177.9-176.6176.40110.9P218 E222K172-P218 HydrophobicContact CB-CB 4.14Å; K172-P218 WeakPolarHBondContact CB-O 3.27Å; K172-P218 HydrophobicContact CD-CB 4.29Å; K172-P218 PolarHBondContact N-O 3.13Å; K172-E222 HydrophobicContact CD-CG 4.03Å; K172-E222 VanDerWaalsContact CE-CD 3.45Å; K172-E222 WeakPolarHBondContact CE-OE1 3.38Å; K172-E222 IonicContact NZ-OE1 3.08Å; K172-E222 PolarHBondContact NZ-OE1 2.86Å; K172-E222 VanDerWaalsContact NZ-OE1 3.08Å; K172-E222 IonicContact NZ-OE2 2.7Å; K172-E222 PolarHBondContact NZ-OE2 3.21Å
173T94.6Very high94.1Very high45 Ų4552.8 Ų52.828%0.27628%0.277SS..SBendtrans-120.3103.9170.8-56.50000109.2W171 M200 K202W171-T173 WeakPolarHBondContact CB-O 3.48Å; W171-T173 PolarHBondContact O-N 3.23Å; T173-M200 HydrophobicContact CG2-CE 4.33Å; T173-M200 HydrophobicContact CG2-SD 4.22Å; T173-M200 WeakPolarHBondContact O-CE 3.47Å; T173-K202 HydrophobicContact CG2-CD 4.37Å; T173-K202 HydrophobicContact CG2-CG 4.17Å
174P95Very high94.3Very high51 Ų5154.8 Ų54.833%0.33129%0.289SS..PPolyproline II helixtrans-66.7151.4-179.7-24.735.8000114.2M200 G322P174-M200 VanDerWaalsContact C-CE 3.42Å; P174-M200 WeakPolarHBondContact O-CE 3.44Å; P174-G322 WeakPolarHBondContact CG-O 3.31Å
175F95.6Very high94.5Very high9 Ų954.8 Ų54.84%0.03929%0.289CS..PPolyproline II helixtrans-77.1143.7169.3-65.5-99.3000110.1W171 T177 M198 M200 I217 V263 E320W171-F175 AromaticContact CD1-CD2 3.91Å; W171-F175 AromaticContact NE1-CD2 3.94Å; W171-F175 AromaticContact NE1-CE2 3.97Å; F175-T177 PolarHBondContact O-N 3.32Å; F175-M198 HydrophobicContact CB-CB 4.26Å; F175-M198 HydrophobicContact CD1-CB 3.59Å; F175-M198 HydrophobicContact CD2-CB 4.48Å; F175-M198 HydrophobicContact CD2-CE 4.34Å; F175-M198 HydrophobicContact CD2-SD 4.23Å; F175-M198 HydrophobicContact CE1-CB 4Å; F175-M198 HydrophobicContact CE2-CE 4.25Å; F175-M198 HydrophobicContact CG-CB 3.86Å; F175-M198 HydrophobicContact CG-SD 4.33Å; F175-M200 VanDerWaalsContact CA-CE 3.47Å; F175-M200 HydrophobicContact CB-CE 4.01Å; F175-M200 HydrophobicContact CD1-CB 4.23Å; F175-M200 HydrophobicContact CD1-CE 3.48Å; F175-M200 VanDerWaalsContact CD1-CE 3.48Å; F175-M200 HydrophobicContact CD1-CG 3.95Å; F175-M200 HydrophobicContact CD1-SD 4.49Å; F175-M200 HydrophobicContact CD2-CE 3.76Å; F175-M200 HydrophobicContact CE1-CB 4.41Å; F175-M200 HydrophobicContact CE1-CE 3.8Å; F175-M200 HydrophobicContact CE1-CG 3.7Å; F175-M200 HydrophobicContact CE1-SD 4.35Å; F175-M200 HydrophobicContact CE2-CE 4.04Å; F175-M200 HydrophobicContact CG-CE 3.47Å; F175-M200 VanDerWaalsContact CG-CE 3.47Å; F175-M200 HydrophobicContact CZ-CE 4.06Å; F175-M200 HydrophobicContact CZ-CG 4.4Å; F175-I217 HydrophobicContact CE2-CD1 4.38Å; F175-I217 HydrophobicContact CZ-CD1 3.97Å; F175-V263 HydrophobicContact CE1-CG1 4.23Å; F175-V263 HydrophobicContact CZ-CG1 4.24Å; F175-E320 HydrophobicContact CB-CB 4.01Å; F175-E320 HydrophobicContact CB-CG 4.11Å; F175-E320 PolarHBondContact N-O 3.13Å
176K95.2Very high94.7Very high151 Ų15157.6 Ų57.666%0.65730%0.3SS*.PPolyproline II helixtrans-79.5116.8172.2-66.5-177.7-179.2179.70108.3A178 L179K176-A178 PolarHBondContact O-N 3.04Å; K176-A178 VanDerWaalsContact O-N 3.16Å; K176-L179 HydrophobicContact CB-CB 4.42Å; K176-L179 HydrophobicContact CB-CD1 4.06Å; K176-L179 HydrophobicContact CB-CG 3.97Å; K176-L179 HydrophobicContact CD-CD1 4.22Å; K176-L179 WeakPolarHBondContact O-CA 3.16Å; K176-L179 WeakPolarHBondContact O-CB 3.24Å; K176-L179 PolarHBondContact O-N 3.2Å
177T94.7Very high94.9Very high94 Ų9457.3 Ų57.358%0.57730%0.299SS*.G310 helixtrans-53-36.4177.351.70000112.9F175 L179 T180 E320F175-T177 PolarHBondContact O-N 3.32Å; T177-L179 PolarHBondContact O-N 3.38Å; T177-L179 VanDerWaalsContact O-N 3.16Å; T177-T180 WeakPolarHBondContact O-CB 3.36Å; T177-T180 PolarHBondContact O-N 3.05Å; T177-E320 HydrophobicContact CG2-CB 3.76Å; T177-E320 HydrophobicContact CG2-CG 3.95Å
178A95.8Very high95Very high92 Ų9261.4 Ų61.476%0.7632%0.317SS*.G310 helixtrans-63.3-17.2175.800000114.3K176K176-A178 PolarHBondContact O-N 3.04Å; K176-A178 VanDerWaalsContact O-N 3.16Å
179L96.3Very high95.1Very high71 Ų7164.7 Ų64.737%0.37233%0.333SS..G310 helixtrans-95.2-13.1174.9-59.5-178.3000112.4K176 T177 K181 Q199K176-L179 HydrophobicContact CB-CB 4.42Å; K176-L179 HydrophobicContact CB-CD1 4.06Å; K176-L179 HydrophobicContact CB-CG 3.97Å; K176-L179 HydrophobicContact CD-CD1 4.22Å; K176-L179 WeakPolarHBondContact O-CA 3.16Å; K176-L179 WeakPolarHBondContact O-CB 3.24Å; K176-L179 PolarHBondContact O-N 3.2Å; T177-L179 PolarHBondContact O-N 3.38Å; T177-L179 VanDerWaalsContact O-N 3.16Å; L179-K181 PolarHBondContact O-N 3.36Å; L179-Q199 HydrophobicContact CB-CG 3.82Å; L179-Q199 WeakPolarHBondContact O-CG 3.05Å; L179-Q199 PolarHBondContact O-NE2 3.4Å
180T97.3Very high95.2Very high24 Ų2471.5 Ų71.515%0.14737%0.368CS..  trans-64.5130.3175.2-58.90000110.2T177 E196 M197 M198 E320T177-T180 WeakPolarHBondContact O-CB 3.36Å; T177-T180 PolarHBondContact O-N 3.05Å; T180-E196 HydrophobicContact CG2-CB 3.88Å; T180-M197 VanDerWaalsContact CA-O 3.31Å; T180-M197 WeakPolarHBondContact CA-O 3.34Å; T180-M198 HydrophobicContact CG2-CG 4.43Å; T180-E320 WeakPolarHBondContact CB-OE1 3.26Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.32Å; T180-E320 VanDerWaalsContact OG1-CG 3.28Å; T180-E320 WeakPolarHBondContact OG1-CG 3.25Å; T180-E320 PolarHBondContact OG1-OE1 3.17Å
181K97.5Very high95.3Very high124 Ų12472.9 Ų72.954%0.53937%0.374SS..EExtended strand (participates in β ladder)trans-134.2145.7-178.5-68-178.5-174.5175.70112.2L179 T183 M197L179-K181 PolarHBondContact O-N 3.36Å; K181-T183 PolarHBondContact O-N 2.86Å; K181-T183 PolarHBondContact O-OG1 3.05Å; K181-M197 PolarHBondContact N-O 3.07Å; K181-M197 WeakPolarHBondContact O-CB 3.47Å; K181-M197 PolarHBondContact O-N 2.92Å
182K98.2Very high95.3Very high169 Ų16978.2 Ų78.274%0.73540%0.399SS*.EExtended strand (participates in β ladder)trans-64.4122169-72.8-174.5-179.9-177.60109.8I194 V195K182-I194 HydrophobicContact CB-CG2 3.68Å; K182-I194 HydrophobicContact CD-CG2 4.16Å; K182-I194 HydrophobicContact CG-CG2 4.06Å; K182-V195 CarbonylContact C-O 3.59Å; K182-V195 WeakPolarHBondContact CA-O 3.38Å
183T97.2Very high95.4Very high54 Ų5476.8 Ų76.833%0.33139%0.392SS..EExtended strand (participates in β ladder)trans-137.8152.5-177.6-51.40000109.8K181 I194 V195 M197K181-T183 PolarHBondContact O-N 2.86Å; K181-T183 PolarHBondContact O-OG1 3.05Å; T183-I194 WeakPolarHBondContact O-CA 3.25Å; T183-V195 PolarHBondContact N-O 3.35Å; T183-V195 PolarHBondContact O-N 3.19Å; T183-M197 WeakPolarHBondContact OG1-CB 3.35Å
184T97.3Very high95.5Very high42 Ų4279.9 Ų79.926%0.25841%0.406SS..EExtended strand (participates in β ladder)trans-67136.8173.1-56.10000111.1Y186 E192 K193T184-Y186 HydrophobicContact CG2-CD1 4.45Å; T184-Y186 HydrophobicContact CG2-CE1 4.09Å; T184-E192 HydrophobicContact CG2-CB 4Å; T184-E192 HydrophobicContact CG2-CG 4.1Å; T184-E192 VanDerWaalsContact CG2-OE2 3.26Å; T184-E192 WeakPolarHBondContact CG2-OE2 3.2Å; T184-K193 CarbonylContact C-O 3.6Å; T184-K193 WeakPolarHBondContact CA-O 3.36Å
185F97.8Very high95.6Very high0 Ų078 Ų780%039%0.394CS..EExtended strand (participates in β ladder)trans-120126168.8-172-82.6000109.1V187 E192 K193 V195 P266 A349 D350 H351 P352 F353 Y371 G373F185-V187 HydrophobicContact CD1-CG2 4.09Å; F185-V187 PolarHBondContact O-N 2.89Å; F185-E192 CarbonylContact O-C 3.51Å; F185-E192 WeakPolarHBondContact O-CA 3.34Å; F185-K193 PolarHBondContact N-O 2.97Å; F185-K193 PolarHBondContact O-N 2.93Å; F185-V195 HydrophobicContact CB-CB 4.47Å; F185-V195 HydrophobicContact CB-CG1 3.75Å; F185-V195 HydrophobicContact CB-CG2 3.87Å; F185-V195 HydrophobicContact CD2-CG2 4.43Å; F185-V195 HydrophobicContact CG-CG1 4.31Å; F185-P266 HydrophobicContact CD2-CG 4.01Å; F185-P266 HydrophobicContact CE2-CG 4.05Å; F185-A349 WeakPolarHBondContact CE2-O 3.42Å; F185-D350 CarbonylContact C-O 3.54Å; F185-D350 VanDerWaalsContact CA-O 3.26Å; F185-D350 WeakPolarHBondContact CA-O 3.5Å; F185-D350 VanDerWaalsContact CD2-C 3.45Å; F185-H351 WeakPolarHBondContact CZ-O 3.31Å; F185-P352 HydrophobicContact CE1-CG 4.38Å; F185-F353 HydrophobicContact CE2-CD1 4.41Å; F185-F353 HydrophobicContact CE2-CE1 4.09Å; F185-Y371 HydrophobicContact CD2-CE1 4.09Å; F185-Y371 HydrophobicContact CE1-CD1 4.49Å; F185-Y371 AromaticContact CE2-CD1 3.69Å; F185-Y371 HydrophobicContact CE2-CD1 3.69Å; F185-Y371 AromaticContact CE2-CE1 3.71Å; F185-Y371 HydrophobicContact CE2-CE1 3.71Å; F185-Y371 AromaticContact CZ-CD1 3.66Å; F185-Y371 HydrophobicContact CZ-CD1 3.66Å; F185-Y371 AromaticContact CZ-CE1 3.93Å; F185-Y371 HydrophobicContact CZ-CE1 3.93Å; F185-G373 VanDerWaalsContact CE1-N 3.34Å
186Y96.8Very high95.6Very high59 Ų5982 Ų8223%0.23141%0.412CS..EExtended strand (participates in β ladder)trans-88.493-177.1-55.3-84.3000109.9T184 E192 K234 D350 P352T184-Y186 HydrophobicContact CG2-CD1 4.45Å; T184-Y186 HydrophobicContact CG2-CE1 4.09Å; Y186-E192 HydrophobicContact CD1-CG 3.78Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.39Å; Y186-E192 HydrophobicContact CE1-CG 4.28Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.22Å; Y186-K234 HydrophobicContact CD2-CD 4.14Å; Y186-K234 VanDerWaalsContact CE2-NZ 3.32Å; Y186-K234 HydrophobicContact CG-CD 4.23Å; Y186-K234 VanDerWaalsContact CZ-NZ 3.3Å; Y186-D350 HydrophobicContact CD2-CB 4.42Å; Y186-D350 VanDerWaalsContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CD2-O 3.28Å; Y186-D350 HydrophobicContact CE2-CB 4.47Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.32Å; Y186-D350 PolarHBondContact N-O 2.89Å; Y186-P352 WeakPolarHBondContact O-CD 3.27Å
187V94.5Very high95.8Very high1 Ų174.9 Ų74.91%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-65.1-51-172.5177.60000111.9F185 E191 K193 P352 Y372F185-V187 HydrophobicContact CD1-CG2 4.09Å; F185-V187 PolarHBondContact O-N 2.89Å; V187-E191 HydrophobicContact CB-CB 4.22Å; V187-E191 HydrophobicContact CB-CG 4.05Å; V187-E191 WeakPolarHBondContact CB-O 3.42Å; V187-E191 HydrophobicContact CG1-CG 4.4Å; V187-E191 HydrophobicContact CG2-CG 4.35Å; V187-E191 PolarHBondContact N-O 2.94Å; V187-K193 HydrophobicContact CG2-CB 4.22Å; V187-K193 HydrophobicContact CG2-CD 3.91Å; V187-K193 HydrophobicContact CG2-CG 3.88Å; V187-P352 VanDerWaalsContact O-CG 3.22Å; V187-P352 WeakPolarHBondContact O-CG 3.35Å; V187-Y372 VanDerWaalsContact CG1-O 3.28Å; V187-Y372 WeakPolarHBondContact CG1-O 3.26Å; V187-Y372 WeakPolarHBondContact CG2-O 3.27Å; V187-Y372 WeakPolarHBondContact O-CD1 3.21Å
188K91.9Very high95.9Very high86 Ų8670.4 Ų70.437%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-157179.3175.258.2175.1-177.3-148.60107.9D190 E191 F235K188-D190 PolarHBondContact O-N 2.87Å; K188-E191 HydrophobicContact CD-CB 4.45Å; K188-E191 WeakPolarHBondContact CE-OE2 3.28Å; K188-E191 HydrophobicContact CG-CB 3.68Å; K188-E191 PolarHBondContact N-O 2.97Å; K188-E191 IonicContact NZ-OE2 2.61Å; K188-E191 PolarHBondContact NZ-OE2 2.89Å; K188-E191 PolarHBondContact O-N 2.71Å; K188-F235 VanDerWaalsContact C-CZ 3.46Å; K188-F235 WeakPolarHBondContact O-CE1 3.29Å; K188-F235 WeakPolarHBondContact O-CZ 3.38Å
189Q90.9Very high96Very high141 Ų14168 Ų6866%0.65933%0.327SS*.THydrogen-bonded Turntrans-52.3127172.4-166.4177.8-19.700109.7E191 F235Q189-E191 PolarHBondContact O-N 2.93Å; Q189-F235 HydrophobicContact CB-CE2 4.39Å
190D91.4Very high96Very high157 Ų15765.7 Ų65.784%0.8432%0.315SS*.THydrogen-bonded Turntrans64.512.1179.9-44.2-46000116.3K188K188-D190 PolarHBondContact O-N 2.87Å
191E94.5Very high95.9Very high54 Ų5469.2 Ų69.225%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-126.3120.6171.3-170.5-178.914900111.4V187 K188 Q189 K193V187-E191 HydrophobicContact CB-CB 4.22Å; V187-E191 HydrophobicContact CB-CG 4.05Å; V187-E191 WeakPolarHBondContact CB-O 3.42Å; V187-E191 HydrophobicContact CG1-CG 4.4Å; V187-E191 HydrophobicContact CG2-CG 4.35Å; V187-E191 PolarHBondContact N-O 2.94Å; K188-E191 HydrophobicContact CD-CB 4.45Å; K188-E191 WeakPolarHBondContact CE-OE2 3.28Å; K188-E191 HydrophobicContact CG-CB 3.68Å; K188-E191 PolarHBondContact N-O 2.97Å; K188-E191 IonicContact NZ-OE2 2.61Å; K188-E191 PolarHBondContact NZ-OE2 2.89Å; K188-E191 PolarHBondContact O-N 2.71Å; Q189-E191 PolarHBondContact O-N 2.93Å; E191-K193 VanDerWaalsContact OE1-CE 3.25Å; E191-K193 WeakPolarHBondContact OE1-CE 3.34Å; E191-K193 IonicContact OE1-NZ 2.66Å; E191-K193 PolarHBondContact OE1-NZ 2.8Å
192E95.1Very high95.9Very high118 Ų11868.3 Ų68.355%0.55133%0.329SS*.EExtended strand (participates in β ladder)trans-125.5151.8177-65.7180-172.700110.9T184 F185 Y186T184-E192 HydrophobicContact CG2-CB 4Å; T184-E192 HydrophobicContact CG2-CG 4.1Å; T184-E192 VanDerWaalsContact CG2-OE2 3.26Å; T184-E192 WeakPolarHBondContact CG2-OE2 3.2Å; F185-E192 CarbonylContact O-C 3.51Å; F185-E192 WeakPolarHBondContact O-CA 3.34Å; Y186-E192 HydrophobicContact CD1-CG 3.78Å; Y186-E192 WeakPolarHBondContact CD1-OE1 3.39Å; Y186-E192 HydrophobicContact CE1-CG 4.28Å; Y186-E192 WeakPolarHBondContact CE1-OE1 3.22Å
193K95Very high95.8Very high70 Ų7066.5 Ų66.530%0.30432%0.323SS..EExtended strand (participates in β ladder)trans-136.6154.5175-71.4-178.6-179.4143.90111T184 F185 V187 E191T184-K193 CarbonylContact C-O 3.6Å; T184-K193 WeakPolarHBondContact CA-O 3.36Å; F185-K193 PolarHBondContact N-O 2.97Å; F185-K193 PolarHBondContact O-N 2.93Å; V187-K193 HydrophobicContact CG2-CB 4.22Å; V187-K193 HydrophobicContact CG2-CD 3.91Å; V187-K193 HydrophobicContact CG2-CG 3.88Å; E191-K193 VanDerWaalsContact OE1-CE 3.25Å; E191-K193 WeakPolarHBondContact OE1-CE 3.34Å; E191-K193 IonicContact OE1-NZ 2.66Å; E191-K193 PolarHBondContact OE1-NZ 2.8Å
194I97.2Very high95.8Very high110 Ų11064.1 Ų64.156%0.56431%0.308SS*.EExtended strand (participates in β ladder)trans-91.1123.2170.3-59.1-58.4000108.7K182 T183K182-I194 HydrophobicContact CB-CG2 3.68Å; K182-I194 HydrophobicContact CD-CG2 4.16Å; K182-I194 HydrophobicContact CG-CG2 4.06Å; T183-I194 WeakPolarHBondContact O-CA 3.25Å
195V96.9Very high95.8Very high11 Ų1162.2 Ų62.27%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-118.9156.5177.2-57.90000110.8K182 T183 F185 M197 P266K182-V195 CarbonylContact C-O 3.59Å; K182-V195 WeakPolarHBondContact CA-O 3.38Å; T183-V195 PolarHBondContact N-O 3.35Å; T183-V195 PolarHBondContact O-N 3.19Å; F185-V195 HydrophobicContact CB-CB 4.47Å; F185-V195 HydrophobicContact CB-CG1 3.75Å; F185-V195 HydrophobicContact CB-CG2 3.87Å; F185-V195 HydrophobicContact CD2-CG2 4.43Å; F185-V195 HydrophobicContact CG-CG1 4.31Å; V195-M197 HydrophobicContact CG2-CE 4.26Å; V195-M197 PolarHBondContact O-N 3.03Å; V195-P266 HydrophobicContact CG2-CB 4.22Å; V195-P266 HydrophobicContact CG2-CG 4.32Å
196E96.9Very high95.9Very high93 Ų9362.4 Ų62.444%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-77111.4167.3-66-168.2123.800108.9T180 P266 K267T180-E196 HydrophobicContact CG2-CB 3.88Å; E196-P266 CarbonylContact O-C 3.56Å; E196-P266 WeakPolarHBondContact O-CA 3.49Å; E196-K267 HydrophobicContact CB-CB 4.14Å; E196-K267 HydrophobicContact CB-CD 4.48Å; E196-K267 PolarHBondContact O-N 3.34Å; E196-K267 WeakPolarHBondContact OE2-CD 3.25Å; E196-K267 IonicContact OE2-NZ 3.83Å
197M98Very high95.9Very high2 Ų260.2 Ų60.21%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-98.7112.6-179-17167.274.500109.6T180 K181 T183 V195 H264 I265 P266 D350T180-M197 VanDerWaalsContact CA-O 3.31Å; T180-M197 WeakPolarHBondContact CA-O 3.34Å; K181-M197 PolarHBondContact N-O 3.07Å; K181-M197 WeakPolarHBondContact O-CB 3.47Å; K181-M197 PolarHBondContact O-N 2.92Å; T183-M197 WeakPolarHBondContact OG1-CB 3.35Å; V195-M197 HydrophobicContact CG2-CE 4.26Å; V195-M197 PolarHBondContact O-N 3.03Å; M197-H264 HydrophobicContact CG-CB 3.87Å; M197-H264 HydrophobicContact SD-CB 3.89Å; M197-I265 PolarHBondContact SD-N 3.39Å; M197-I265 VanDerWaalsContact SD-N 3.37Å; M197-P266 HydrophobicContact CE-CG 4.03Å; M197-P266 HydrophobicContact SD-CG 4.1Å; M197-D350 HydrophobicContact CE-CB 4.37Å
198M97.8Very high96.1Very high1 Ų164.7 Ų64.71%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-77.8142.4172.8-51.3-178.4-65.600108.8F175 T180 H264 I265 K267 V318 E320F175-M198 HydrophobicContact CB-CB 4.26Å; F175-M198 HydrophobicContact CD1-CB 3.59Å; F175-M198 HydrophobicContact CD2-CB 4.48Å; F175-M198 HydrophobicContact CD2-CE 4.34Å; F175-M198 HydrophobicContact CD2-SD 4.23Å; F175-M198 HydrophobicContact CE1-CB 4Å; F175-M198 HydrophobicContact CE2-CE 4.25Å; F175-M198 HydrophobicContact CG-CB 3.86Å; F175-M198 HydrophobicContact CG-SD 4.33Å; T180-M198 HydrophobicContact CG2-CG 4.43Å; M198-H264 CarbonylContact O-C 3.57Å; M198-H264 VanDerWaalsContact O-CA 3.3Å; M198-H264 WeakPolarHBondContact O-CA 3.46Å; M198-I265 WeakPolarHBondContact CB-O 3.3Å; M198-I265 HydrophobicContact CE-CB 4.43Å; M198-I265 HydrophobicContact CE-CG2 4.32Å; M198-I265 PolarHBondContact N-O 3.22Å; M198-I265 PolarHBondContact O-N 3.3Å; M198-K267 HydrophobicContact CG-CB 4.06Å; M198-K267 HydrophobicContact SD-CB 4.16Å; M198-V318 HydrophobicContact CE-CG1 3.7Å; M198-E320 HydrophobicContact CG-CG 4Å; M198-E320 HydrophobicContact SD-CB 4.42Å; M198-E320 HydrophobicContact SD-CG 3.86Å; M198-E320 PolarHBondContact SD-N 3.1Å; M198-E320 VanDerWaalsContact SD-N 3.44Å
199Q97.4Very high96.2Very high41 Ų4163 Ų6319%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-141.9146.9-179.869.5-170.6-54.600113.9L179 V263 H264L179-Q199 HydrophobicContact CB-CG 3.82Å; L179-Q199 WeakPolarHBondContact O-CG 3.05Å; L179-Q199 PolarHBondContact O-NE2 3.4Å; Q199-V263 WeakPolarHBondContact CA-O 3.44Å; Q199-H264 PolarHBondContact OE1-CE1 2.91Å
200M96.3Very high96.4Very high22 Ų2263.8 Ų63.811%0.10832%0.317CS..EExtended strand (participates in β ladder)trans-161.5160.1170.366.416668.600112.3T173 P174 F175 K202 F204 V263T173-M200 HydrophobicContact CG2-CE 4.33Å; T173-M200 HydrophobicContact CG2-SD 4.22Å; T173-M200 WeakPolarHBondContact O-CE 3.47Å; P174-M200 VanDerWaalsContact C-CE 3.42Å; P174-M200 WeakPolarHBondContact O-CE 3.44Å; F175-M200 VanDerWaalsContact CA-CE 3.47Å; F175-M200 HydrophobicContact CB-CE 4.01Å; F175-M200 HydrophobicContact CD1-CB 4.23Å; F175-M200 HydrophobicContact CD1-CE 3.48Å; F175-M200 VanDerWaalsContact CD1-CE 3.48Å; F175-M200 HydrophobicContact CD1-CG 3.95Å; F175-M200 HydrophobicContact CD1-SD 4.49Å; F175-M200 HydrophobicContact CD2-CE 3.76Å; F175-M200 HydrophobicContact CE1-CB 4.41Å; F175-M200 HydrophobicContact CE1-CE 3.8Å; F175-M200 HydrophobicContact CE1-CG 3.7Å; F175-M200 HydrophobicContact CE1-SD 4.35Å; F175-M200 HydrophobicContact CE2-CE 4.04Å; F175-M200 HydrophobicContact CG-CE 3.47Å; F175-M200 VanDerWaalsContact CG-CE 3.47Å; F175-M200 HydrophobicContact CZ-CE 4.06Å; F175-M200 HydrophobicContact CZ-CG 4.4Å; M200-K202 HydrophobicContact SD-CB 3.93Å; M200-F204 HydrophobicContact CG-CE2 4.09Å; M200-F204 HydrophobicContact SD-CE2 3.5Å; M200-F204 VanDerWaalsContact SD-CE2 3.5Å; M200-F204 HydrophobicContact SD-CZ 3.45Å; M200-F204 WeakPolarHBondContact SD-CZ 3.39Å; M200-V263 HydrophobicContact CG-CB 4.43Å; M200-V263 PolarHBondContact N-O 2.87Å; M200-V263 PolarHBondContact O-N 2.81Å
201D96.1Very high96.6Very high99 Ų9959.8 Ų59.853%0.52929%0.293SS..EExtended strand (participates in β ladder)trans-109.3110.6169-62.2-48.1000109.6E262D201-E262 WeakPolarHBondContact OD1-CA 3.46Å; D201-E262 VanDerWaalsContact OD1-CB 3.29Å; D201-E262 WeakPolarHBondContact OD1-CB 3.46Å; D201-E262 WeakPolarHBondContact OD1-CG 3.27Å
202K95.8Very high96.7Very high104 Ų10457.5 Ų57.545%0.45228%0.282SS..EExtended strand (participates in β ladder)trans-154.1166.5-177.9-155.466.7178.5178.70112.1T173 M200 F204 K260 V261T173-K202 HydrophobicContact CG2-CD 4.37Å; T173-K202 HydrophobicContact CG2-CG 4.17Å; M200-K202 HydrophobicContact SD-CB 3.93Å; K202-F204 HydrophobicContact CB-CD2 4.13Å; K202-F204 HydrophobicContact CB-CE2 3.63Å; K202-F204 HydrophobicContact CB-CZ 3.99Å; K202-F204 HydrophobicContact CG-CE2 4.42Å; K202-F204 HydrophobicContact CG-CZ 4.32Å; K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.32Å; K202-V261 PolarHBondContact N-O 2.83Å; K202-V261 PolarHBondContact O-N 3.46Å
203E97.1Very high96.8Very high132 Ų13253.1 Ų53.162%0.61726%0.262SS*.EExtended strand (participates in β ladder)trans-76.9126168.7-69.5176.6-179.600110R259 K260E203-R259 VanDerWaalsContact CA-O 3.27Å; E203-R259 WeakPolarHBondContact CA-O 3.36Å; E203-K260 HydrophobicContact CG-CB 4.31Å
204F97.6Very high97Very high4 Ų449.8 Ų49.82%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-144.1156.4175.2-71-58.9000110.6M200 K202 Y206 L215 I217 E258 R259 V263M200-F204 HydrophobicContact CG-CE2 4.09Å; M200-F204 HydrophobicContact SD-CE2 3.5Å; M200-F204 VanDerWaalsContact SD-CE2 3.5Å; M200-F204 HydrophobicContact SD-CZ 3.45Å; M200-F204 WeakPolarHBondContact SD-CZ 3.39Å; K202-F204 HydrophobicContact CB-CD2 4.13Å; K202-F204 HydrophobicContact CB-CE2 3.63Å; K202-F204 HydrophobicContact CB-CZ 3.99Å; K202-F204 HydrophobicContact CG-CE2 4.42Å; K202-F204 HydrophobicContact CG-CZ 4.32Å; F204-Y206 PolarHBondContact O-N 3.32Å; F204-Y206 VanDerWaalsContact O-N 3.14Å; F204-L215 HydrophobicContact CB-CD1 3.76Å; F204-L215 HydrophobicContact CD2-CD1 4.42Å; F204-L215 HydrophobicContact CG-CD1 4.39Å; F204-I217 HydrophobicContact CD1-CG2 4.4Å; F204-I217 HydrophobicContact CE1-CG2 3.88Å; F204-I217 HydrophobicContact CZ-CG2 4.21Å; F204-E258 WeakPolarHBondContact CA-OE2 3.26Å; F204-E258 PolarHBondContact N-OE2 3.18Å; F204-E258 WeakPolarHBondContact O-CA 3.31Å; F204-R259 PolarHBondContact N-O 2.88Å; F204-R259 PolarHBondContact O-N 3.32Å; F204-V263 HydrophobicContact CD2-CG2 3.8Å; F204-V263 HydrophobicContact CE2-CG2 4.1Å
205P97.9Very high97.1Very high2 Ų244.6 Ų44.61%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-53.3117.7165-26.533.6000111.2L215 G216 L225 T256 E258P205-L215 CarbonylContact O-C 3.6Å; P205-G216 VanDerWaalsContact CD-O 3.25Å; P205-G216 WeakPolarHBondContact CD-O 3.39Å; P205-G216 PolarHBondContact O-N 2.69Å; P205-L225 HydrophobicContact CG-CD2 3.93Å; P205-T256 WeakPolarHBondContact CB-OG1 3.35Å; P205-E258 VanDerWaalsContact CD-OE1 3.27Å; P205-E258 WeakPolarHBondContact CD-OE1 3.12Å; P205-E258 WeakPolarHBondContact CD-OE2 3.33Å; P205-E258 WeakPolarHBondContact CG-OE1 3.19Å
206Y98.6Very high97.1Very high3 Ų344 Ų441%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-142.5144-177.8177.1-91.5000112.1F204 E208 Q213 I214 L215 I257 V261 P345 F347F204-Y206 PolarHBondContact O-N 3.32Å; F204-Y206 VanDerWaalsContact O-N 3.14Å; Y206-E208 HydrophobicContact CE1-CB 4.22Å; Y206-E208 PolarHBondContact OH-OE2 3.03Å; Y206-Q213 HydrophobicContact CE2-CB 4.41Å; Y206-Q213 PolarHBondContact OH-NE2 3.39Å; Y206-I214 WeakPolarHBondContact CA-O 3.45Å; Y206-I214 VanDerWaalsContact CD2-O 3.28Å; Y206-I214 WeakPolarHBondContact CD2-O 3.46Å; Y206-L215 HydrophobicContact CD2-CD1 4.48Å; Y206-I257 PolarHBondContact N-O 3.44Å; Y206-I257 PolarHBondContact O-N 2.79Å; Y206-V261 HydrophobicContact CD1-CG2 4.45Å; Y206-V261 HydrophobicContact CD2-CG1 4.14Å; Y206-V261 HydrophobicContact CD2-CG2 3.83Å; Y206-V261 HydrophobicContact CE2-CG1 4.34Å; Y206-V261 HydrophobicContact CG-CG2 3.71Å; Y206-P345 HydrophobicContact CD1-CG 4.05Å; Y206-P345 HydrophobicContact CE1-CB 3.8Å; Y206-P345 HydrophobicContact CE1-CG 3.71Å; Y206-P345 HydrophobicContact CE2-CB 4.38Å; Y206-F347 HydrophobicContact CD2-CD2 4.48Å; Y206-F347 HydrophobicContact CE2-CB 4.47Å; Y206-F347 HydrophobicContact CE2-CD2 4.06Å
207S98.1Very high97.1Very high13 Ų1339.6 Ų39.69%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-149.8166.8166.462.30000110.6I214 S255S207-I214 PolarHBondContact N-O 2.61Å; S207-I214 PolarHBondContact O-N 2.65Å; S207-S255 WeakPolarHBondContact CB-OG 3.21Å; S207-S255 PolarHBondContact OG-OG 2.95Å
208E97Very high97Very high96 Ų9640.3 Ų40.345%0.44920%0.202SC..EExtended strand (participates in β ladder)trans-145.5137.9178.6-179.1173-171.100108.8Y206 Y212 Q213 K232Y206-E208 HydrophobicContact CE1-CB 4.22Å; Y206-E208 PolarHBondContact OH-OE2 3.03Å; E208-Y212 CarbonylContact C-O 3.59Å; E208-Y212 WeakPolarHBondContact CA-O 3.43Å; E208-Q213 HydrophobicContact CG-CG 4.06Å; E208-K232 WeakPolarHBondContact OE1-CE 3.29Å; E208-K232 IonicContact OE1-NZ 2.75Å; E208-K232 PolarHBondContact OE1-NZ 3.34Å
209T95.3Very high96.8Very high51 Ų5140.4 Ų40.431%0.31320%0.202SC..  trans-107-175.8168.871.80000109E211 Y212 I214 K232 L252T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 PolarHBondContact OG1-N 3.39Å; T209-E211 VanDerWaalsContact OG1-N 3.14Å; T209-Y212 PolarHBondContact N-O 3.06Å; T209-Y212 PolarHBondContact OG1-N 3.46Å; T209-I214 HydrophobicContact CG2-CD1 4.43Å; T209-K232 WeakPolarHBondContact O-CE 3.43Å; T209-K232 PolarHBondContact O-NZ 2.85Å; T209-L252 HydrophobicContact CG2-CD2 4.1Å
210D94.3Very high96.5Very high156 Ų15640.5 Ų40.583%0.83421%0.205SC*.SBendtrans-65-25.1171.6-64.3-30.5000112.6K232D210-K232 WeakPolarHBondContact O-CD 3.29Å; D210-K232 WeakPolarHBondContact O-CE 3.16Å
211E95.2Very high96Very high73 Ų7341.2 Ų41.234%0.34121%0.211SC..SBendtrans-105.8-28.3-172.8-59.4-175.3109.500113.9T209 K232 K243 K248T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 PolarHBondContact OG1-N 3.39Å; T209-E211 VanDerWaalsContact OG1-N 3.14Å; E211-K232 PolarHBondContact O-N 3.14Å; E211-K243 IonicContact OE1-NZ 3.08Å; E211-K243 PolarHBondContact OE1-NZ 3.03Å; E211-K248 IonicContact OE2-NZ 2.67Å
212Y96.5Very high95.5Very high7 Ų742 Ų423%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-139148.1-167.3-39.2-59.2000112.3E208 T209 V229 L230 M240 L252E208-Y212 CarbonylContact C-O 3.59Å; E208-Y212 WeakPolarHBondContact CA-O 3.43Å; T209-Y212 PolarHBondContact N-O 3.06Å; T209-Y212 PolarHBondContact OG1-N 3.46Å; Y212-V229 HydrophobicContact CG-CG1 4.48Å; Y212-L230 CarbonylContact C-O 3.37Å; Y212-L230 VanDerWaalsContact CA-O 3.31Å; Y212-L230 WeakPolarHBondContact CA-O 3.25Å; Y212-M240 HydrophobicContact CD1-CB 4.27Å; Y212-M240 HydrophobicContact CD1-CG 3.74Å; Y212-M240 HydrophobicContact CD1-SD 3.42Å; Y212-M240 WeakPolarHBondContact CD1-SD 3.33Å; Y212-M240 HydrophobicContact CE1-CB 3.56Å; Y212-M240 HydrophobicContact CE1-CG 3.3Å; Y212-M240 HydrophobicContact CE1-SD 3.68Å; Y212-M240 HydrophobicContact CE2-CG 4.39Å; Y212-M240 HydrophobicContact CG-CG 4.48Å; Y212-M240 HydrophobicContact CG-SD 4.03Å; Y212-L252 HydrophobicContact CD2-CD2 4.49Å
213Q98.5Very high95.1Very high26 Ų2643.1 Ų43.112%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-101.8143.4160.8-59.2-176-65.500109.4Y206 E208 V229 L230 K346 F347Y206-Q213 HydrophobicContact CE2-CB 4.41Å; Y206-Q213 PolarHBondContact OH-NE2 3.39Å; E208-Q213 HydrophobicContact CG-CG 4.06Å; Q213-V229 WeakPolarHBondContact O-CA 3.47Å; Q213-L230 HydrophobicContact CB-CB 4.48Å; Q213-L230 PolarHBondContact N-O 3.44Å; Q213-L230 PolarHBondContact O-N 3.31Å; Q213-K346 PolarHBondContact NE2-O 2.96Å; Q213-F347 HydrophobicContact CB-CD2 3.7Å; Q213-F347 HydrophobicContact CB-CE2 3.69Å
214I98.6Very high94.9Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-126.2127.3179.6-51.573.9000108.1Y206 S207 T209 Y227 F228 V229 L252 T256Y206-I214 WeakPolarHBondContact CA-O 3.45Å; Y206-I214 VanDerWaalsContact CD2-O 3.28Å; Y206-I214 WeakPolarHBondContact CD2-O 3.46Å; S207-I214 PolarHBondContact N-O 2.61Å; S207-I214 PolarHBondContact O-N 2.65Å; T209-I214 HydrophobicContact CG2-CD1 4.43Å; I214-Y227 HydrophobicContact CG2-CD1 4.18Å; I214-F228 WeakPolarHBondContact CA-O 3.45Å; I214-V229 HydrophobicContact CG1-CG1 4.42Å; I214-V229 HydrophobicContact CG2-CG2 4.43Å; I214-L252 HydrophobicContact CD1-CD2 4.01Å; I214-L252 HydrophobicContact CG1-CB 4.16Å; I214-L252 HydrophobicContact CG1-CD2 4.16Å; I214-T256 HydrophobicContact CB-CG2 4.01Å; I214-T256 HydrophobicContact CG2-CG2 3.51Å
215L98.7Very high94.8Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-126.8129.4175.717871.2000109.2F204 P205 Y206 I217 Y227 F228 V261 V263 I265 F347F204-L215 HydrophobicContact CB-CD1 3.76Å; F204-L215 HydrophobicContact CD2-CD1 4.42Å; F204-L215 HydrophobicContact CG-CD1 4.39Å; P205-L215 CarbonylContact O-C 3.6Å; Y206-L215 HydrophobicContact CD2-CD1 4.48Å; L215-I217 HydrophobicContact CD2-CD1 3.95Å; L215-I217 HydrophobicContact CD2-CG1 4.02Å; L215-I217 HydrophobicContact CG-CG1 4.07Å; L215-Y227 CarbonylContact O-C 3.6Å; L215-Y227 VanDerWaalsContact O-CA 3.25Å; L215-Y227 WeakPolarHBondContact O-CA 3.36Å; L215-F228 HydrophobicContact CB-CB 4.46Å; L215-F228 HydrophobicContact CD2-CD2 4.38Å; L215-F228 PolarHBondContact N-O 2.94Å; L215-F228 PolarHBondContact O-N 3.5Å; L215-V261 HydrophobicContact CD1-CG1 4.48Å; L215-V261 HydrophobicContact CD1-CG2 4.44Å; L215-V263 HydrophobicContact CD1-CG2 4.03Å; L215-V263 HydrophobicContact CD2-CB 4.33Å; L215-V263 HydrophobicContact CD2-CG1 3.59Å; L215-V263 HydrophobicContact CD2-CG2 3.79Å; L215-I265 HydrophobicContact CD2-CD1 4.15Å; L215-I265 HydrophobicContact CD2-CG1 4.42Å; L215-F347 HydrophobicContact CB-CD1 4.15Å; L215-F347 HydrophobicContact CB-CD2 3.68Å; L215-F347 HydrophobicContact CB-CE1 4.11Å; L215-F347 HydrophobicContact CB-CE2 3.62Å; L215-F347 HydrophobicContact CB-CG 3.95Å; L215-F347 HydrophobicContact CB-CZ 3.84Å; L215-F347 HydrophobicContact CD2-CB 4.4Å; L215-F347 HydrophobicContact CD2-CD1 3.74Å; L215-F347 HydrophobicContact CD2-CE1 4.12Å; L215-F347 HydrophobicContact CD2-CG 3.99Å
216G98Very high94.8Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-107.8129.8168.600000110.2P205 M226P205-G216 VanDerWaalsContact CD-O 3.25Å; P205-G216 WeakPolarHBondContact CD-O 3.39Å; P205-G216 PolarHBondContact O-N 2.69Å; G216-M226 CarbonylContact C-O 3.44Å; G216-M226 WeakPolarHBondContact CA-O 3.22Å
217I97.4Very high94.8Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-115.7115.4174.5-54.6-174.5000108.5W171 F175 F204 L215 L225 M226 F228 V263 I265W171-I217 HydrophobicContact CD2-CG2 4.07Å; W171-I217 HydrophobicContact CE3-CB 4.16Å; W171-I217 HydrophobicContact CE3-CG2 3.44Å; W171-I217 VanDerWaalsContact CE3-CG2 3.44Å; W171-I217 HydrophobicContact CZ3-CB 3.91Å; W171-I217 HydrophobicContact CZ3-CG2 3.73Å; F175-I217 HydrophobicContact CE2-CD1 4.38Å; F175-I217 HydrophobicContact CZ-CD1 3.97Å; F204-I217 HydrophobicContact CD1-CG2 4.4Å; F204-I217 HydrophobicContact CE1-CG2 3.88Å; F204-I217 HydrophobicContact CZ-CG2 4.21Å; L215-I217 HydrophobicContact CD2-CD1 3.95Å; L215-I217 HydrophobicContact CD2-CG1 4.02Å; L215-I217 HydrophobicContact CG-CG1 4.07Å; I217-L225 WeakPolarHBondContact O-CA 3.46Å; I217-M226 PolarHBondContact N-O 3.09Å; I217-M226 PolarHBondContact O-N 3.23Å; I217-F228 HydrophobicContact CD1-CD2 4.44Å; I217-F228 HydrophobicContact CD1-CE2 3.83Å; I217-F228 HydrophobicContact CG1-CD2 4.46Å; I217-F228 HydrophobicContact CG1-CE2 4.07Å; I217-V263 HydrophobicContact CD1-CG1 4.25Å; I217-I265 HydrophobicContact CD1-CG1 4.46Å
218P95.9Very high94.8Very high17 Ų1736.3 Ų36.311%0.1118%0.183CC..EExtended strand (participates in β ladder)trans-69.3138.6178.6-19.231.6000113.3K172 L225K172-P218 HydrophobicContact CB-CB 4.14Å; K172-P218 WeakPolarHBondContact CB-O 3.27Å; K172-P218 HydrophobicContact CD-CB 4.29Å; K172-P218 PolarHBondContact N-O 3.13Å; P218-L225 HydrophobicContact CB-CD1 4.49Å; P218-L225 HydrophobicContact CB-CG 4.23Å; P218-L225 HydrophobicContact CG-CD2 4.36Å; P218-L225 HydrophobicContact CG-CG 4.15Å
219Y93.4Very high94.9Very high3 Ų331.8 Ų31.81%0.01216%0.162CC..BIsolated β-bridgetrans-79.9166.1163.3-68.6-73.3000111.1F167 A169 D170 W171 T221 E222 L224 M226 I357F167-Y219 HydrophobicContact CE1-CE1 4.08Å; F167-Y219 AromaticContact CE1-CE2 3.86Å; F167-Y219 HydrophobicContact CE1-CE2 3.86Å; F167-Y219 AromaticContact CE1-CZ 3.62Å; F167-Y219 AromaticContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CD2 3.97Å; F167-Y219 HydrophobicContact CZ-CE1 4.31Å; F167-Y219 AromaticContact CZ-CE2 3.71Å; F167-Y219 HydrophobicContact CZ-CE2 3.71Å; F167-Y219 HydrophobicContact CZ-CG 4.36Å; F167-Y219 AromaticContact CZ-CZ 3.91Å; A169-Y219 HydrophobicContact CB-CD1 3.4Å; A169-Y219 VanDerWaalsContact CB-CD1 3.4Å; A169-Y219 HydrophobicContact CB-CE1 3.87Å; A169-Y219 HydrophobicContact CB-CG 3.77Å; A169-Y219 WeakPolarHBondContact O-CD1 3.37Å; A169-Y219 VanDerWaalsContact O-CE1 3.29Å; A169-Y219 WeakPolarHBondContact O-CE1 3.28Å; D170-Y219 CarbonylContact O-C 3.51Å; D170-Y219 WeakPolarHBondContact O-CA 3.43Å; D170-Y219 WeakPolarHBondContact O-CD1 3.11Å; W171-Y219 HydrophobicContact CD2-CD1 4.35Å; W171-Y219 HydrophobicContact CD2-CE1 4.12Å; W171-Y219 AromaticContact CE3-CD1 3.68Å; W171-Y219 HydrophobicContact CE3-CD1 3.68Å; W171-Y219 AromaticContact CE3-CE1 3.54Å; W171-Y219 HydrophobicContact CE3-CE1 3.54Å; W171-Y219 HydrophobicContact CE3-CG 4.35Å; W171-Y219 AromaticContact CH2-CE1 3.69Å; W171-Y219 HydrophobicContact CH2-CE1 3.69Å; W171-Y219 AromaticContact CH2-CZ 3.63Å; W171-Y219 WeakPolarHBondContact CH2-OH 3.38Å; W171-Y219 HydrophobicContact CZ2-CE1 4.22Å; W171-Y219 AromaticContact CZ3-CD1 3.84Å; W171-Y219 HydrophobicContact CZ3-CD1 3.84Å; W171-Y219 HydrophobicContact CZ3-CD2 4.43Å; W171-Y219 AromaticContact CZ3-CE1 3.32Å; W171-Y219 HydrophobicContact CZ3-CE1 3.32Å; W171-Y219 AromaticContact CZ3-CE2 3.98Å; W171-Y219 HydrophobicContact CZ3-CE2 3.98Å; W171-Y219 HydrophobicContact CZ3-CG 4.38Å; W171-Y219 AromaticContact CZ3-CZ 3.39Å; Y219-T221 PolarHBondContact O-N 3.03Å; Y219-E222 WeakPolarHBondContact O-CA 3.41Å; Y219-E222 PolarHBondContact O-N 3.3Å; Y219-L224 HydrophobicContact CD2-CB 3.91Å; Y219-L224 WeakPolarHBondContact CD2-O 3.47Å; Y219-L224 PolarHBondContact N-O 2.85Å; Y219-M226 HydrophobicContact CE2-CB 3.84Å; Y219-M226 PolarHBondContact OH-SD 3.26Å; Y219-M226 VanDerWaalsContact OH-SD 3.42Å; Y219-I357 HydrophobicContact CE2-CD1 4.44Å; Y219-I357 HydrophobicContact CE2-CG1 4.21Å; Y219-I357 HydrophobicContact CE2-CG2 4.23Å
220V91Very high95Very high43 Ų4329.5 Ų29.526%0.26115%0.148SC..THydrogen-bonded Turntrans-52.4-24.8177.2-73.60000114.8V83 D170 W171 E222V83-V220 HydrophobicContact CG1-CB 4.49Å; V83-V220 HydrophobicContact CG1-CG2 4.39Å; V83-V220 VanDerWaalsContact O-CG2 3.31Å; V83-V220 WeakPolarHBondContact O-CG2 3.24Å; D170-V220 HydrophobicContact CB-CB 4.46Å; D170-V220 HydrophobicContact CB-CG1 3.61Å; D170-V220 HydrophobicContact CB-CG2 4.01Å; D170-V220 WeakPolarHBondContact O-CG1 3.17Å; D170-V220 WeakPolarHBondContact O-CG2 3.37Å; D170-V220 PolarHBondContact O-N 2.65Å; W171-V220 WeakPolarHBondContact O-CG1 3.48Å; V220-E222 PolarHBondContact O-N 3.35Å
221T86Confident95.2Very high36 Ų3622.2 Ų22.222%0.22111%0.109CC..THydrogen-bonded Turntrans-74.9-14.7176.863.50000113.1Y85 Y219 K223Y85-T221 HydrophobicContact CD1-CG2 3.79Å; Y85-T221 HydrophobicContact CD2-CG2 3.51Å; Y85-T221 HydrophobicContact CE1-CG2 4.17Å; Y85-T221 HydrophobicContact CE2-CG2 3.96Å; Y85-T221 HydrophobicContact CG-CG2 3.44Å; Y85-T221 VanDerWaalsContact CG-CG2 3.44Å; Y219-T221 PolarHBondContact O-N 3.03Å; T221-K223 PolarHBondContact O-N 3.09Å
222E84.6Confident95.3Very high115 Ų11522.9 Ų22.954%0.53711%0.111SC..SBendtrans57.8-18.6-171.9-51.9-159.1-155.400116K172 Y219 V220K172-E222 HydrophobicContact CD-CG 4.03Å; K172-E222 VanDerWaalsContact CE-CD 3.45Å; K172-E222 WeakPolarHBondContact CE-OE1 3.38Å; K172-E222 IonicContact NZ-OE1 3.08Å; K172-E222 PolarHBondContact NZ-OE1 2.86Å; K172-E222 VanDerWaalsContact NZ-OE1 3.08Å; K172-E222 IonicContact NZ-OE2 2.7Å; K172-E222 PolarHBondContact NZ-OE2 3.21Å; Y219-E222 WeakPolarHBondContact O-CA 3.41Å; Y219-E222 PolarHBondContact O-N 3.3Å; V220-E222 PolarHBondContact O-N 3.35Å
223K87.7Confident95.3Very high129 Ų12928.9 Ų28.956%0.56114%0.139SC*.SBendtrans-73.1-34.7175.1-65.2-178.5-179.8-176.80112.3T221 R360T221-K223 PolarHBondContact O-N 3.09Å; K223-R360 PolarHBondContact O-N 2.84Å; K223-R360 VanDerWaalsContact O-N 3.08Å
224L92.6Very high95.1Very high4 Ų431.9 Ų31.92%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-102.3128.1-178.7-60.4-179.3000110.2F76 Y85 F167 Y219 I357 V358 D359F76-L224 HydrophobicContact CE1-CD2 4.24Å; Y85-L224 HydrophobicContact CE2-CD1 3.66Å; F167-L224 HydrophobicContact CE2-CD1 3.55Å; F167-L224 HydrophobicContact CZ-CD1 4.12Å; Y219-L224 HydrophobicContact CD2-CB 3.91Å; Y219-L224 WeakPolarHBondContact CD2-O 3.47Å; Y219-L224 PolarHBondContact N-O 2.85Å; L224-I357 HydrophobicContact CB-CG2 4.38Å; L224-V358 WeakPolarHBondContact CA-O 3.47Å; L224-D359 HydrophobicContact CD2-CB 3.8Å
225L95.8Very high94.9Very high5 Ų536.6 Ų36.63%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-116.8139.9169.9-77.371.8000108.6P205 I217 P218 Y227 I357 V358 R360P205-L225 HydrophobicContact CG-CD2 3.93Å; I217-L225 WeakPolarHBondContact O-CA 3.46Å; P218-L225 HydrophobicContact CB-CD1 4.49Å; P218-L225 HydrophobicContact CB-CG 4.23Å; P218-L225 HydrophobicContact CG-CD2 4.36Å; P218-L225 HydrophobicContact CG-CG 4.15Å; L225-Y227 HydrophobicContact CB-CD2 4.12Å; L225-Y227 HydrophobicContact CB-CE2 3.71Å; L225-Y227 HydrophobicContact CD2-CE2 4.24Å; L225-I357 WeakPolarHBondContact O-CA 3.38Å; L225-V358 PolarHBondContact N-O 3.05Å; L225-V358 VanDerWaalsContact N-O 3.09Å; L225-V358 PolarHBondContact O-N 3.19Å; L225-R360 HydrophobicContact CD1-CB 4.42Å
226M97.5Very high94.7Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-88.4115.6161.5-169.7161.8-173.800108.7W171 G216 I217 Y219 F228 F268 I316 V318 F355 A356 I357W171-M226 HydrophobicContact CH2-CB 3.75Å; W171-M226 HydrophobicContact CH2-CG 4.27Å; W171-M226 HydrophobicContact CH2-SD 3.7Å; W171-M226 HydrophobicContact CZ3-CB 3.77Å; G216-M226 CarbonylContact C-O 3.44Å; G216-M226 WeakPolarHBondContact CA-O 3.22Å; I217-M226 PolarHBondContact N-O 3.09Å; I217-M226 PolarHBondContact O-N 3.23Å; Y219-M226 HydrophobicContact CE2-CB 3.84Å; Y219-M226 PolarHBondContact OH-SD 3.26Å; Y219-M226 VanDerWaalsContact OH-SD 3.42Å; M226-F228 HydrophobicContact CB-CE2 4.22Å; M226-F228 HydrophobicContact CB-CZ 4.48Å; M226-F228 HydrophobicContact CE-CE1 3.88Å; M226-F228 HydrophobicContact CE-CZ 3.93Å; M226-F228 HydrophobicContact CG-CE1 4.39Å; M226-F228 HydrophobicContact CG-CE2 3.83Å; M226-F228 HydrophobicContact CG-CZ 3.73Å; M226-F228 HydrophobicContact SD-CE1 4.28Å; M226-F228 HydrophobicContact SD-CE2 4.35Å; M226-F228 HydrophobicContact SD-CZ 3.69Å; M226-F268 HydrophobicContact CE-CZ 3.78Å; M226-I316 HydrophobicContact CE-CD1 4.18Å; M226-V318 HydrophobicContact CE-CG2 3.71Å; M226-V318 HydrophobicContact SD-CG2 3.64Å; M226-F355 HydrophobicContact CE-CB 3.6Å; M226-F355 HydrophobicContact CE-CD2 3.44Å; M226-F355 VanDerWaalsContact CE-CD2 3.44Å; M226-F355 HydrophobicContact CE-CE2 4.26Å; M226-F355 HydrophobicContact CE-CG 3.66Å; M226-A356 CarbonylContact C-O 3.33Å; M226-A356 WeakPolarHBondContact CA-O 3.45Å; M226-I357 HydrophobicContact CB-CG1 4.43Å; M226-I357 HydrophobicContact CG-CG1 4.28Å
227Y98.3Very high94.6Very high2 Ų237 Ų371%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-91.9140.9172.3-73.6-84.4000110.7I214 L215 L225 F253 T256 F355 A356 V358I214-Y227 HydrophobicContact CG2-CD1 4.18Å; L215-Y227 CarbonylContact O-C 3.6Å; L215-Y227 VanDerWaalsContact O-CA 3.25Å; L215-Y227 WeakPolarHBondContact O-CA 3.36Å; L225-Y227 HydrophobicContact CB-CD2 4.12Å; L225-Y227 HydrophobicContact CB-CE2 3.71Å; L225-Y227 HydrophobicContact CD2-CE2 4.24Å; Y227-F253 VanDerWaalsContact CB-CE1 3.5Å; Y227-F253 HydrophobicContact CD1-CB 4.2Å; Y227-F253 AromaticContact CD1-CD1 3.62Å; Y227-F253 HydrophobicContact CD1-CD1 3.62Å; Y227-F253 HydrophobicContact CD1-CE1 4.38Å; Y227-F253 HydrophobicContact CD1-CG 4.19Å; Y227-F253 HydrophobicContact CD2-CB 4.3Å; Y227-F253 AromaticContact CD2-CD1 3.94Å; Y227-F253 HydrophobicContact CD2-CD1 3.94Å; Y227-F253 HydrophobicContact CD2-CE1 4.4Å; Y227-F253 HydrophobicContact CD2-CG 4.03Å; Y227-F253 HydrophobicContact CE1-CB 3.91Å; Y227-F253 HydrophobicContact CE1-CD1 4.22Å; Y227-F253 HydrophobicContact CE1-CG 4.39Å; Y227-F253 HydrophobicContact CE2-CB 4.02Å; Y227-F253 HydrophobicContact CE2-CG 4.23Å; Y227-F253 HydrophobicContact CG-CB 4.37Å; Y227-F253 AromaticContact CG-CD1 3.44Å; Y227-F253 HydrophobicContact CG-CD1 3.44Å; Y227-F253 VanDerWaalsContact CG-CD1 3.44Å; Y227-F253 AromaticContact CG-CE1 3.87Å; Y227-F253 HydrophobicContact CG-CE1 3.87Å; Y227-F253 AromaticContact CG-CG 3.99Å; Y227-F253 HydrophobicContact CG-CG 3.99Å; Y227-F253 PolarHBondContact OH-O 3.42Å; Y227-T256 HydrophobicContact CD1-CG2 4.46Å; Y227-T256 HydrophobicContact CE1-CG2 3.99Å; Y227-F355 CarbonylContact O-C 3.16Å; Y227-F355 WeakPolarHBondContact O-CA 3.29Å; Y227-A356 PolarHBondContact N-O 3Å; Y227-A356 PolarHBondContact O-N 2.83Å; Y227-V358 HydrophobicContact CD2-CB 3.93Å; Y227-V358 HydrophobicContact CD2-CG2 3.75Å; Y227-V358 HydrophobicContact CE2-CB 4Å; Y227-V358 HydrophobicContact CE2-CG2 4.27Å
228F98.6Very high94.4Very high0 Ų041.4 Ų41.40%020%0.196CC..EExtended strand (participates in β ladder)trans-119.5125.5170.7-57.4-91.8000107.6I214 L215 I217 M226 I265 F347 F353 L354 F355I214-F228 WeakPolarHBondContact CA-O 3.45Å; L215-F228 HydrophobicContact CB-CB 4.46Å; L215-F228 HydrophobicContact CD2-CD2 4.38Å; L215-F228 PolarHBondContact N-O 2.94Å; L215-F228 PolarHBondContact O-N 3.5Å; I217-F228 HydrophobicContact CD1-CD2 4.44Å; I217-F228 HydrophobicContact CD1-CE2 3.83Å; I217-F228 HydrophobicContact CG1-CD2 4.46Å; I217-F228 HydrophobicContact CG1-CE2 4.07Å; M226-F228 HydrophobicContact CB-CE2 4.22Å; M226-F228 HydrophobicContact CB-CZ 4.48Å; M226-F228 HydrophobicContact CE-CE1 3.88Å; M226-F228 HydrophobicContact CE-CZ 3.93Å; M226-F228 HydrophobicContact CG-CE1 4.39Å; M226-F228 HydrophobicContact CG-CE2 3.83Å; M226-F228 HydrophobicContact CG-CZ 3.73Å; M226-F228 HydrophobicContact SD-CE1 4.28Å; M226-F228 HydrophobicContact SD-CE2 4.35Å; M226-F228 HydrophobicContact SD-CZ 3.69Å; F228-I265 HydrophobicContact CD1-CD1 4.01Å; F228-I265 HydrophobicContact CD1-CG2 4.29Å; F228-I265 HydrophobicContact CD2-CD1 4.18Å; F228-I265 HydrophobicContact CE1-CD1 4.25Å; F228-I265 HydrophobicContact CE1-CG2 3.58Å; F228-I265 HydrophobicContact CE2-CD1 4.42Å; F228-I265 HydrophobicContact CG-CD1 3.97Å; F228-I265 HydrophobicContact CZ-CD1 4.45Å; F228-I265 HydrophobicContact CZ-CG1 4.49Å; F228-I265 HydrophobicContact CZ-CG2 3.74Å; F228-F347 HydrophobicContact CB-CE1 3.79Å; F228-F347 HydrophobicContact CB-CZ 3.52Å; F228-F347 HydrophobicContact CG-CE1 4.49Å; F228-F353 AromaticContact CD1-CD2 3.97Å; F228-F353 HydrophobicContact CD1-CD2 3.97Å; F228-F353 AromaticContact CD1-CE2 3.65Å; F228-F353 HydrophobicContact CD1-CE2 3.65Å; F228-F353 HydrophobicContact CD1-CZ 4.33Å; F228-F353 HydrophobicContact CE1-CE2 4.02Å; F228-F353 HydrophobicContact CE1-CZ 4.5Å; F228-L354 WeakPolarHBondContact CA-O 3.36Å; F228-F355 HydrophobicContact CD1-CB 4.21Å; F228-F355 HydrophobicContact CE1-CB 4.4Å
229V98.5Very high94.3Very high1 Ų144 Ų441%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-114.9109173.9-171.40000107.5Y212 Q213 I214 M240 L252 F253 F353 L354Y212-V229 HydrophobicContact CG-CG1 4.48Å; Q213-V229 WeakPolarHBondContact O-CA 3.47Å; I214-V229 HydrophobicContact CG1-CG1 4.42Å; I214-V229 HydrophobicContact CG2-CG2 4.43Å; V229-M240 HydrophobicContact CB-CE 4.1Å; V229-M240 HydrophobicContact CB-SD 4.45Å; V229-M240 HydrophobicContact CG1-CE 3.86Å; V229-M240 HydrophobicContact CG1-SD 3.6Å; V229-L252 HydrophobicContact CG1-CD1 4.21Å; V229-F253 HydrophobicContact CG2-CE1 3.88Å; V229-F353 WeakPolarHBondContact O-CB 3.39Å; V229-L354 HydrophobicContact CB-CB 4.22Å; V229-L354 HydrophobicContact CB-CD2 4.3Å; V229-L354 HydrophobicContact CG2-CD2 4.17Å; V229-L354 PolarHBondContact N-O 2.93Å; V229-L354 PolarHBondContact O-N 2.77Å
230L98.6Very high94.4Very high2 Ų243.9 Ų43.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-108.3117-173.1-177.369.5000109.3Y212 Q213 F347 I348 A349 H351 F353Y212-L230 CarbonylContact C-O 3.37Å; Y212-L230 VanDerWaalsContact CA-O 3.31Å; Y212-L230 WeakPolarHBondContact CA-O 3.25Å; Q213-L230 HydrophobicContact CB-CB 4.48Å; Q213-L230 PolarHBondContact N-O 3.44Å; Q213-L230 PolarHBondContact O-N 3.31Å; L230-F347 HydrophobicContact CB-CE1 4.3Å; L230-F347 HydrophobicContact CB-CE2 3.81Å; L230-F347 HydrophobicContact CB-CZ 3.54Å; L230-F347 HydrophobicContact CD2-CE1 4.29Å; L230-F347 HydrophobicContact CD2-CE2 4.4Å; L230-F347 HydrophobicContact CD2-CZ 4.22Å; L230-F347 HydrophobicContact CG-CZ 4.49Å; L230-I348 VanDerWaalsContact CD2-O 3.25Å; L230-I348 WeakPolarHBondContact CD2-O 3.4Å; L230-A349 HydrophobicContact CD1-CB 4.34Å; L230-H351 VanDerWaalsContact CD1-CE1 3.49Å; L230-H351 WeakPolarHBondContact CD1-CE1 3.49Å; L230-H351 VanDerWaalsContact CD1-NE2 3.32Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.34Å; L230-F353 HydrophobicContact CD1-CB 3.84Å
231P98.2Very high94.6Very high3 Ų342.1 Ų42.12%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-57.5142.7167.9-19.631.3000111.7E233 L237 M240 H351 P352P231-E233 VanDerWaalsContact C-N 3.25Å; P231-E233 WeakPolarHBondContact CB-O 3.5Å; P231-L237 HydrophobicContact CG-CB 4.16Å; P231-L237 HydrophobicContact CG-CD1 4.35Å; P231-M240 HydrophobicContact CG-CB 4.37Å; P231-M240 HydrophobicContact CG-SD 3.88Å; P231-H351 PolarHBondContact O-CE1 3.05Å; P231-H351 PolarHBondContact O-NE2 2.93Å; P231-P352 WeakPolarHBondContact CD-O 3.3Å
232K97.9Very high95Very high88 Ų8845.5 Ų45.538%0.38322%0.219SC..SBendtrans-71.5-26.9171.3-64.6-168.9-160.9-172.40112.2E208 T209 D210 E211E208-K232 WeakPolarHBondContact OE1-CE 3.29Å; E208-K232 IonicContact OE1-NZ 2.75Å; E208-K232 PolarHBondContact OE1-NZ 3.34Å; T209-K232 WeakPolarHBondContact O-CE 3.43Å; T209-K232 PolarHBondContact O-NZ 2.85Å; D210-K232 WeakPolarHBondContact O-CD 3.29Å; D210-K232 WeakPolarHBondContact O-CE 3.16Å; E211-K232 PolarHBondContact O-N 3.14Å
233E96.5Very high95.5Very high133 Ų13343.8 Ų43.862%0.62121%0.209SC*.SBendtrans-84.1124172.7-65.5-178.8171.600110.1P231 F235 G236P231-E233 VanDerWaalsContact C-N 3.25Å; P231-E233 WeakPolarHBondContact CB-O 3.5Å; E233-F235 PolarHBondContact O-N 3.24Å; E233-G236 PolarHBondContact O-N 2.89Å
234K93.5Very high95.9Very high88 Ų8838.2 Ų38.238%0.38319%0.186SC..THydrogen-bonded Turntrans-49.7-33.6-174.5-74.1-172.4177.5-172.40115.2Y186 H351Y186-K234 HydrophobicContact CD2-CD 4.14Å; Y186-K234 VanDerWaalsContact CE2-NZ 3.32Å; Y186-K234 HydrophobicContact CG-CD 4.23Å; Y186-K234 VanDerWaalsContact CZ-NZ 3.3Å; K234-H351 VanDerWaalsContact CA-CD2 3.47Å; K234-H351 WeakPolarHBondContact CA-CD2 3.47Å; K234-H351 HydrophobicContact CB-CB 4.28Å; K234-H351 HydrophobicContact CG-CB 4.49Å; K234-H351 WeakPolarHBondContact O-CB 3.49Å; K234-H351 PolarHBondContact O-CD2 3.47Å
235F93.6Very high96.1Very high100 Ų10042.1 Ų42.144%0.43921%0.207SC..THydrogen-bonded Turntrans-116.321.7-179-50.2-56000112.4K188 Q189 E233 L237K188-F235 VanDerWaalsContact C-CZ 3.46Å; K188-F235 WeakPolarHBondContact O-CE1 3.29Å; K188-F235 WeakPolarHBondContact O-CZ 3.38Å; Q189-F235 HydrophobicContact CB-CE2 4.39Å; E233-F235 PolarHBondContact O-N 3.24Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.22Å
236G94.9Very high96Very high6 Ų642.1 Ų42.16%0.06221%0.207CC..  trans-80.4-1.1-174.900000115.1E233 Q238 N239 M240E233-G236 PolarHBondContact O-N 2.89Å; G236-Q238 PolarHBondContact O-N 3.48Å; G236-N239 PolarHBondContact O-N 2.99Å; G236-M240 WeakPolarHBondContact O-CB 3.36Å; G236-M240 PolarHBondContact O-N 2.92Å
237L95.9Very high95.9Very high1 Ų148.5 Ų48.51%0.00524%0.235CC..Hα-helixtrans-60.9-44.9-172.6-179.661.7000112.8P231 F235 N239 M240 M241 P352 L354 N370 Y372P231-L237 HydrophobicContact CG-CB 4.16Å; P231-L237 HydrophobicContact CG-CD1 4.35Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.22Å; L237-N239 PolarHBondContact O-N 2.9Å; L237-M240 HydrophobicContact CD1-CE 3.39Å; L237-M240 WeakPolarHBondContact O-CB 3.2Å; L237-M240 PolarHBondContact O-N 3.47Å; L237-M241 HydrophobicContact CD1-CG 4.23Å; L237-M241 HydrophobicContact CD1-SD 4.37Å; L237-M241 HydrophobicContact CG-CG 4.44Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.31Å; L237-P352 HydrophobicContact CB-CB 3.98Å; L237-P352 HydrophobicContact CD2-CB 3.63Å; L237-P352 HydrophobicContact CG-CB 4.44Å; L237-L354 HydrophobicContact CD1-CB 4.24Å; L237-N370 HydrophobicContact CD2-CB 3.76Å; L237-Y372 HydrophobicContact CD2-CE2 3.83Å
238Q93.3Very high95.8Very high93 Ų9351.5 Ų51.544%0.43525%0.248SC..Hα-helixtrans-62.4-45.1179.4-64.8-1720.800111.2N22 G236 M240 M241 T242N22-Q238 PolarHBondContact OD1-NE2 2.89Å; G236-Q238 PolarHBondContact O-N 3.48Å; Q238-M240 VanDerWaalsContact C-N 3.34Å; Q238-M240 PolarHBondContact O-N 2.91Å; Q238-M241 PolarHBondContact O-N 2.81Å; Q238-T242 WeakPolarHBondContact O-CG2 3.47Å; Q238-T242 PolarHBondContact O-N 3.37Å; Q238-T242 VanDerWaalsContact O-N 3.08Å
239N94.4Very high95.7Very high72 Ų7251.5 Ų51.539%0.38525%0.248SC..Hα-helixtrans-59.6-44175.1-174.536.6000111.4G236 L237 M241 T242 K243G236-N239 PolarHBondContact O-N 2.99Å; L237-N239 PolarHBondContact O-N 2.9Å; N239-M241 PolarHBondContact O-N 3.46Å; N239-T242 PolarHBondContact O-N 2.83Å; N239-T242 PolarHBondContact O-OG1 2.99Å; N239-K243 PolarHBondContact ND2-NZ 3.02Å; N239-K243 VanDerWaalsContact ND2-NZ 3.13Å; N239-K243 WeakPolarHBondContact O-CG 3.22Å; N239-K243 PolarHBondContact O-N 3.3Å; N239-K243 WeakPolarHBondContact OD1-CE 3.24Å
240M95.8Very high95.6Very high0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-56.1-50.4173.6179.717992.900111.1Y212 V229 P231 G236 L237 Q238 T242 K243 L244 L354Y212-M240 HydrophobicContact CD1-CB 4.27Å; Y212-M240 HydrophobicContact CD1-CG 3.74Å; Y212-M240 HydrophobicContact CD1-SD 3.42Å; Y212-M240 WeakPolarHBondContact CD1-SD 3.33Å; Y212-M240 HydrophobicContact CE1-CB 3.56Å; Y212-M240 HydrophobicContact CE1-CG 3.3Å; Y212-M240 HydrophobicContact CE1-SD 3.68Å; Y212-M240 HydrophobicContact CE2-CG 4.39Å; Y212-M240 HydrophobicContact CG-CG 4.48Å; Y212-M240 HydrophobicContact CG-SD 4.03Å; V229-M240 HydrophobicContact CB-CE 4.1Å; V229-M240 HydrophobicContact CB-SD 4.45Å; V229-M240 HydrophobicContact CG1-CE 3.86Å; V229-M240 HydrophobicContact CG1-SD 3.6Å; P231-M240 HydrophobicContact CG-CB 4.37Å; P231-M240 HydrophobicContact CG-SD 3.88Å; G236-M240 WeakPolarHBondContact O-CB 3.36Å; G236-M240 PolarHBondContact O-N 2.92Å; L237-M240 HydrophobicContact CD1-CE 3.39Å; L237-M240 WeakPolarHBondContact O-CB 3.2Å; L237-M240 PolarHBondContact O-N 3.47Å; Q238-M240 VanDerWaalsContact C-N 3.34Å; Q238-M240 PolarHBondContact O-N 2.91Å; M240-T242 VanDerWaalsContact C-N 3.3Å; M240-T242 PolarHBondContact O-N 3.42Å; M240-K243 PolarHBondContact O-N 3.48Å; M240-L244 HydrophobicContact CE-CD1 4.21Å; M240-L244 HydrophobicContact CG-CD1 4.07Å; M240-L244 HydrophobicContact CG-CG 4.35Å; M240-L244 WeakPolarHBondContact O-CG 3.35Å; M240-L244 PolarHBondContact O-N 3.44Å; M240-L354 HydrophobicContact CE-CB 3.57Å; M240-L354 HydrophobicContact CE-CD2 4.29Å
241M95.5Very high95.5Very high7 Ų755.2 Ų55.23%0.03427%0.268CS..Hα-helixtrans-59.9-38.2-178.7-67.7-47.8-66.700112.2L12 Y15 H16 L237 Q238 N239 K243 L244 L354L12-M241 HydrophobicContact CD2-CE 3.98Å; Y15-M241 HydrophobicContact CD1-CE 3.54Å; Y15-M241 HydrophobicContact CE1-CB 4.47Å; Y15-M241 HydrophobicContact CE1-CE 3.3Å; Y15-M241 HydrophobicContact CE1-CG 4.02Å; Y15-M241 HydrophobicContact CE1-SD 4.33Å; Y15-M241 HydrophobicContact CE2-CE 4.49Å; Y15-M241 HydrophobicContact CG-CE 4.28Å; H16-M241 PolarHBondContact CE1-O 2.87Å; L237-M241 HydrophobicContact CD1-CG 4.23Å; L237-M241 HydrophobicContact CD1-SD 4.37Å; L237-M241 HydrophobicContact CG-CG 4.44Å; L237-M241 WeakPolarHBondContact O-CG 3.5Å; L237-M241 PolarHBondContact O-N 3.31Å; Q238-M241 PolarHBondContact O-N 2.81Å; N239-M241 PolarHBondContact O-N 3.46Å; M241-K243 PolarHBondContact O-N 3.09Å; M241-L244 HydrophobicContact CE-CD1 4.35Å; M241-L244 PolarHBondContact O-N 2.96Å; M241-L244 HydrophobicContact SD-CD1 3.81Å; M241-L354 HydrophobicContact CE-CD1 3.97Å; M241-L354 HydrophobicContact SD-CB 4.4Å; M241-L354 HydrophobicContact SD-CD1 3.95Å; M241-L354 HydrophobicContact SD-CD2 4.32Å; M241-L354 HydrophobicContact SD-CG 4.47Å
242T94.4Very high95.4Very high107 Ų10755.6 Ų55.666%0.65627%0.27SS*.Hα-helixtrans-66.2-23.5176.4650000114.2Q238 N239 M240Q238-T242 WeakPolarHBondContact O-CG2 3.47Å; Q238-T242 PolarHBondContact O-N 3.37Å; Q238-T242 VanDerWaalsContact O-N 3.08Å; N239-T242 PolarHBondContact O-N 2.83Å; N239-T242 PolarHBondContact O-OG1 2.99Å; M240-T242 VanDerWaalsContact C-N 3.3Å; M240-T242 PolarHBondContact O-N 3.42Å
243K95.2Very high95.4Very high78 Ų7851.6 Ų51.634%0.33925%0.252SS..Hα-helixtrans-93.2-9.9-179.2-67.5169.2175.5175.40113.1E211 N239 M240 M241 K248E211-K243 IonicContact OE1-NZ 3.08Å; E211-K243 PolarHBondContact OE1-NZ 3.03Å; N239-K243 PolarHBondContact ND2-NZ 3.02Å; N239-K243 VanDerWaalsContact ND2-NZ 3.13Å; N239-K243 WeakPolarHBondContact O-CG 3.22Å; N239-K243 PolarHBondContact O-N 3.3Å; N239-K243 WeakPolarHBondContact OD1-CE 3.24Å; M240-K243 PolarHBondContact O-N 3.48Å; M241-K243 PolarHBondContact O-N 3.09Å; K243-K248 WeakPolarHBondContact O-CD 3.14Å
244L96Very high95.3Very high13 Ų1348.4 Ų48.47%0.06824%0.239CC..  trans-83.8139.7-178.3-73.5173.9000110.9L12 M240 M241 K248 L249 L252 L354L12-L244 HydrophobicContact CD2-CB 4.43Å; M240-L244 HydrophobicContact CE-CD1 4.21Å; M240-L244 HydrophobicContact CG-CD1 4.07Å; M240-L244 HydrophobicContact CG-CG 4.35Å; M240-L244 WeakPolarHBondContact O-CG 3.35Å; M240-L244 PolarHBondContact O-N 3.44Å; M241-L244 HydrophobicContact CE-CD1 4.35Å; M241-L244 PolarHBondContact O-N 2.96Å; M241-L244 HydrophobicContact SD-CD1 3.81Å; L244-K248 HydrophobicContact CD2-CB 4.49Å; L244-K248 HydrophobicContact CD2-CD 4.14Å; L244-K248 HydrophobicContact CD2-CG 4.09Å; L244-L249 HydrophobicContact CD1-CD1 4.4Å; L244-L252 HydrophobicContact CD2-CD1 3.63Å; L244-L354 HydrophobicContact CD1-CD2 4.2Å
245N95.8Very high95.4Very high86 Ų8646.9 Ų46.946%0.4624%0.24SC..  trans-132.8169.3164.763.650.7000108.3K247 K248 L249N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 3.31Å; N245-K247 PolarHBondContact OD1-N 2.9Å; N245-K248 PolarHBondContact O-N 2.8Å; N245-K248 VanDerWaalsContact O-N 3.09Å; N245-K248 PolarHBondContact OD1-N 3.28Å; N245-L249 WeakPolarHBondContact O-CB 3.24Å; N245-L249 PolarHBondContact O-N 2.95Å
246A94.9Very high95.6Very high4 Ų442.3 Ų42.33%0.03322%0.22CC..Hα-helixtrans-51.8-47.2-174.900000113I5 A8 D9 L249 L250I5-A246 HydrophobicContact CG2-CB 3.72Å; I5-A246 WeakPolarHBondContact O-CB 3.45Å; A8-A246 HydrophobicContact CB-CB 3.91Å; D9-A246 HydrophobicContact CB-CB 3.82Å; A246-L249 PolarHBondContact O-N 2.8Å; A246-L250 WeakPolarHBondContact O-CG 3.14Å; A246-L250 PolarHBondContact O-N 2.89Å
247K95.2Very high95.7Very high134 Ų13446.2 Ų46.258%0.58324%0.239SC*.Hα-helixtrans-64.5-45.8179.5-175.1177-179.1179.10111.6N245 N251N245-K247 VanDerWaalsContact C-N 3.3Å; N245-K247 PolarHBondContact O-N 3.31Å; N245-K247 PolarHBondContact OD1-N 2.9Å; K247-N251 VanDerWaalsContact O-CB 3.25Å; K247-N251 WeakPolarHBondContact O-CB 3.47Å; K247-N251 PolarHBondContact O-N 2.57Å; K247-N251 PolarHBondContact O-ND2 2.8Å; K247-N251 PolarHBondContact O-OD1 3.39Å
248K95.8Very high95.8Very high65 Ų6551.5 Ų51.528%0.28326%0.263SS..Hα-helixtrans-62.1-44.9178.4-170.6174.9178.5-177.20110.6E211 K243 L244 N245 N251 L252E211-K248 IonicContact OE2-NZ 2.67Å; K243-K248 WeakPolarHBondContact O-CD 3.14Å; L244-K248 HydrophobicContact CD2-CB 4.49Å; L244-K248 HydrophobicContact CD2-CD 4.14Å; L244-K248 HydrophobicContact CD2-CG 4.09Å; N245-K248 PolarHBondContact O-N 2.8Å; N245-K248 VanDerWaalsContact O-N 3.09Å; N245-K248 PolarHBondContact OD1-N 3.28Å; K248-N251 PolarHBondContact O-N 2.8Å; K248-L252 WeakPolarHBondContact O-CG 3.48Å; K248-L252 PolarHBondContact O-N 2.73Å
249L96.9Very high95.9Very high0 Ų053.1 Ų53.10%027%0.266CS..Hα-helixtrans-61.7-50.2180-178.461.1000112L12 L244 N245 A246 N251 L252 F253 L354 I365 M368L12-L249 HydrophobicContact CD1-CB 4.4Å; L12-L249 HydrophobicContact CD1-CD2 4.19Å; L12-L249 HydrophobicContact CD2-CD2 4.08Å; L12-L249 HydrophobicContact CG-CD2 4.07Å; L244-L249 HydrophobicContact CD1-CD1 4.4Å; N245-L249 WeakPolarHBondContact O-CB 3.24Å; N245-L249 PolarHBondContact O-N 2.95Å; A246-L249 PolarHBondContact O-N 2.8Å; L249-N251 VanDerWaalsContact C-N 3.33Å; L249-N251 PolarHBondContact O-N 2.98Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.45Å; L249-F253 HydrophobicContact CD1-CE1 4.02Å; L249-F253 HydrophobicContact CD1-CE2 3.96Å; L249-F253 HydrophobicContact CD1-CZ 3.47Å; L249-F253 VanDerWaalsContact CD1-CZ 3.47Å; L249-F253 HydrophobicContact CD2-CE2 4.41Å; L249-F253 HydrophobicContact CD2-CZ 4.49Å; L249-F253 HydrophobicContact CG-CE2 3.79Å; L249-F253 HydrophobicContact CG-CZ 3.85Å; L249-F253 PolarHBondContact O-N 2.99Å; L249-L354 HydrophobicContact CD1-CD2 3.8Å; L249-I365 HydrophobicContact CD2-CD1 3.61Å; L249-I365 HydrophobicContact CG-CD1 4.4Å; L249-M368 HydrophobicContact CD2-SD 3.96Å
250L95.8Very high96Very high2 Ų255.6 Ų55.61%0.0127%0.273CS..Hα-helixtrans-63-40.7177.5-66.4175.6000111.7D4 I5 A8 A246 L252 F253 D254D4-L250 HydrophobicContact CB-CD1 4.19Å; I5-L250 HydrophobicContact CG1-CD1 4.05Å; A8-L250 HydrophobicContact CB-CD1 3.97Å; A8-L250 HydrophobicContact CB-CD2 4.15Å; A8-L250 HydrophobicContact CB-CG 3.95Å; A246-L250 WeakPolarHBondContact O-CG 3.14Å; A246-L250 PolarHBondContact O-N 2.89Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 3.37Å; L250-F253 HydrophobicContact CD2-CD2 4.43Å; L250-F253 PolarHBondContact O-N 3.45Å; L250-F253 VanDerWaalsContact O-N 3.14Å; L250-D254 VanDerWaalsContact O-CG 3.27Å; L250-D254 PolarHBondContact O-N 3.06Å
251N95.7Very high96.1Very high80 Ų8055.6 Ų55.643%0.42827%0.273SS..Hα-helixtrans-61.8-34.8175.6-73.4-5000112.7K247 K248 L249 F253 D254 S255K247-N251 VanDerWaalsContact O-CB 3.25Å; K247-N251 WeakPolarHBondContact O-CB 3.47Å; K247-N251 PolarHBondContact O-N 2.57Å; K247-N251 PolarHBondContact O-ND2 2.8Å; K247-N251 PolarHBondContact O-OD1 3.39Å; K248-N251 PolarHBondContact O-N 2.8Å; L249-N251 VanDerWaalsContact C-N 3.33Å; L249-N251 PolarHBondContact O-N 2.98Å; N251-F253 VanDerWaalsContact C-N 3.35Å; N251-D254 PolarHBondContact O-N 2.9Å; N251-S255 VanDerWaalsContact O-CB 3.24Å; N251-S255 WeakPolarHBondContact O-CB 3.46Å; N251-S255 PolarHBondContact O-N 2.96Å; N251-S255 PolarHBondContact O-OG 2.72Å
252L97Very high96.2Very high11 Ų1157.2 Ų57.26%0.05828%0.28CS..Hα-helixtrans-60.4-46.5174.1-71.4173.7000110.4T209 Y212 I214 V229 L244 K248 L249 L250 S255T209-L252 HydrophobicContact CG2-CD2 4.1Å; Y212-L252 HydrophobicContact CD2-CD2 4.49Å; I214-L252 HydrophobicContact CD1-CD2 4.01Å; I214-L252 HydrophobicContact CG1-CB 4.16Å; I214-L252 HydrophobicContact CG1-CD2 4.16Å; V229-L252 HydrophobicContact CG1-CD1 4.21Å; L244-L252 HydrophobicContact CD2-CD1 3.63Å; K248-L252 WeakPolarHBondContact O-CG 3.48Å; K248-L252 PolarHBondContact O-N 2.73Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.45Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 3.37Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 PolarHBondContact O-OG 2.96Å
253F96.8Very high96.4Very high3 Ų352.1 Ų52.11%0.01325%0.249CC..Hα-helixtrans-64.3-44.2177-55.6-31.1000112.3Y227 V229 L249 L250 N251 S255 T256 A356 V358 I365Y227-F253 VanDerWaalsContact CB-CE1 3.5Å; Y227-F253 HydrophobicContact CD1-CB 4.2Å; Y227-F253 AromaticContact CD1-CD1 3.62Å; Y227-F253 HydrophobicContact CD1-CD1 3.62Å; Y227-F253 HydrophobicContact CD1-CE1 4.38Å; Y227-F253 HydrophobicContact CD1-CG 4.19Å; Y227-F253 HydrophobicContact CD2-CB 4.3Å; Y227-F253 AromaticContact CD2-CD1 3.94Å; Y227-F253 HydrophobicContact CD2-CD1 3.94Å; Y227-F253 HydrophobicContact CD2-CE1 4.4Å; Y227-F253 HydrophobicContact CD2-CG 4.03Å; Y227-F253 HydrophobicContact CE1-CB 3.91Å; Y227-F253 HydrophobicContact CE1-CD1 4.22Å; Y227-F253 HydrophobicContact CE1-CG 4.39Å; Y227-F253 HydrophobicContact CE2-CB 4.02Å; Y227-F253 HydrophobicContact CE2-CG 4.23Å; Y227-F253 HydrophobicContact CG-CB 4.37Å; Y227-F253 AromaticContact CG-CD1 3.44Å; Y227-F253 HydrophobicContact CG-CD1 3.44Å; Y227-F253 VanDerWaalsContact CG-CD1 3.44Å; Y227-F253 AromaticContact CG-CE1 3.87Å; Y227-F253 HydrophobicContact CG-CE1 3.87Å; Y227-F253 AromaticContact CG-CG 3.99Å; Y227-F253 HydrophobicContact CG-CG 3.99Å; Y227-F253 PolarHBondContact OH-O 3.42Å; V229-F253 HydrophobicContact CG2-CE1 3.88Å; L249-F253 HydrophobicContact CD1-CE1 4.02Å; L249-F253 HydrophobicContact CD1-CE2 3.96Å; L249-F253 HydrophobicContact CD1-CZ 3.47Å; L249-F253 VanDerWaalsContact CD1-CZ 3.47Å; L249-F253 HydrophobicContact CD2-CE2 4.41Å; L249-F253 HydrophobicContact CD2-CZ 4.49Å; L249-F253 HydrophobicContact CG-CE2 3.79Å; L249-F253 HydrophobicContact CG-CZ 3.85Å; L249-F253 PolarHBondContact O-N 2.99Å; L250-F253 HydrophobicContact CD2-CD2 4.43Å; L250-F253 PolarHBondContact O-N 3.45Å; L250-F253 VanDerWaalsContact O-N 3.14Å; N251-F253 VanDerWaalsContact C-N 3.35Å; F253-S255 VanDerWaalsContact C-N 3.29Å; F253-S255 PolarHBondContact O-N 3.42Å; F253-T256 PolarHBondContact O-N 3.35Å; F253-T256 PolarHBondContact O-OG1 3.01Å; F253-A356 HydrophobicContact CE2-CB 4.43Å; F253-A356 HydrophobicContact CZ-CB 3.82Å; F253-V358 HydrophobicContact CD2-CG2 3.95Å; F253-V358 HydrophobicContact CE2-CG2 3.73Å; F253-V358 HydrophobicContact CZ-CG2 4.28Å; F253-I365 HydrophobicContact CE2-CD1 4.24Å; F253-I365 HydrophobicContact CE2-CG1 4.42Å
254D94.9Very high96.6Very high66 Ų6649.6 Ų49.635%0.35324%0.239SC..Hα-helixtrans-70.2-24.7-178.2-65.4-31.2000113.1L250 N251 T256 R363L250-D254 VanDerWaalsContact O-CG 3.27Å; L250-D254 PolarHBondContact O-N 3.06Å; N251-D254 PolarHBondContact O-N 2.9Å; D254-T256 PolarHBondContact O-N 2.48Å; D254-R363 IonicContact OD1-NE 3.07Å; D254-R363 IonicContact OD2-CZ 3.21Å; D254-R363 IonicContact OD2-NE 2.72Å; D254-R363 PolarHBondContact OD2-NE 3.21Å; D254-R363 VanDerWaalsContact OD2-NE 3.12Å; D254-R363 IonicContact OD2-NH2 3.57Å; D254-R363 PolarHBondContact OD2-NH2 2.87Å
255S96.5Very high96.7Very high56 Ų5649 Ų4939%0.39224%0.236SC..THydrogen-bonded Turntrans-71.2-14.7178.2730000114.2S207 N251 L252 F253S207-S255 WeakPolarHBondContact CB-OG 3.21Å; S207-S255 PolarHBondContact OG-OG 2.95Å; N251-S255 VanDerWaalsContact O-CB 3.24Å; N251-S255 WeakPolarHBondContact O-CB 3.46Å; N251-S255 PolarHBondContact O-N 2.96Å; N251-S255 PolarHBondContact O-OG 2.72Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 PolarHBondContact O-OG 2.96Å; F253-S255 VanDerWaalsContact C-N 3.29Å; F253-S255 PolarHBondContact O-N 3.42Å
256T97.8Very high96.7Very high4 Ų445 Ų453%0.02521%0.214CC..  trans-69.8134.1-177.559.50000111.7P205 I214 Y227 F253 D254P205-T256 WeakPolarHBondContact CB-OG1 3.35Å; I214-T256 HydrophobicContact CB-CG2 4.01Å; I214-T256 HydrophobicContact CG2-CG2 3.51Å; Y227-T256 HydrophobicContact CD1-CG2 4.46Å; Y227-T256 HydrophobicContact CE1-CG2 3.99Å; F253-T256 PolarHBondContact O-N 3.35Å; F253-T256 PolarHBondContact O-OG1 3.01Å; D254-T256 PolarHBondContact O-N 2.48Å
257I96.7Very high96.7Very high89 Ų8947.9 Ų47.946%0.45623%0.226SC..EExtended strand (participates in β ladder)trans-127.1149.517468.9175.8000110.1Y206 R259Y206-I257 PolarHBondContact N-O 3.44Å; Y206-I257 PolarHBondContact O-N 2.79Å; I257-R259 HydrophobicContact CG1-CG 4.07Å; I257-R259 PolarHBondContact O-N 3.3Å
258E97.1Very high96.6Very high111 Ų11142.1 Ų42.152%0.51920%0.2SC..EExtended strand (participates in β ladder)trans-58.4119.4179.5-68.2-67.1169.600110.9F204 P205F204-E258 WeakPolarHBondContact CA-OE2 3.26Å; F204-E258 PolarHBondContact N-OE2 3.18Å; F204-E258 WeakPolarHBondContact O-CA 3.31Å; P205-E258 VanDerWaalsContact CD-OE1 3.27Å; P205-E258 WeakPolarHBondContact CD-OE1 3.12Å; P205-E258 WeakPolarHBondContact CD-OE2 3.33Å; P205-E258 WeakPolarHBondContact CG-OE1 3.19Å
259R95.5Very high96.3Very high128 Ų12844.2 Ų44.248%0.48321%0.21SC..EExtended strand (participates in β ladder)trans-145.4151176.6-67.2-176.9177.7-174.12.1109.5E203 F204 I257 V261E203-R259 VanDerWaalsContact CA-O 3.27Å; E203-R259 WeakPolarHBondContact CA-O 3.36Å; F204-R259 PolarHBondContact N-O 2.88Å; F204-R259 PolarHBondContact O-N 3.32Å; I257-R259 HydrophobicContact CG1-CG 4.07Å; I257-R259 PolarHBondContact O-N 3.3Å; R259-V261 WeakPolarHBondContact O-CG2 3.26Å; R259-V261 PolarHBondContact O-N 2.97Å
260K97Very high95.9Very high123 Ų12344.2 Ų44.254%0.53521%0.21SC..EExtended strand (participates in β ladder)trans-67.2121.6169.5-172.1177.2-178.71790109.6K202 E203 P344 P345K202-K260 CarbonylContact O-C 3.59Å; K202-K260 WeakPolarHBondContact O-CA 3.32Å; E203-K260 HydrophobicContact CG-CB 4.31Å; K260-P344 HydrophobicContact CB-CB 4.45Å; K260-P344 HydrophobicContact CG-CB 4.15Å; K260-P344 VanDerWaalsContact O-CB 3.26Å; K260-P344 WeakPolarHBondContact O-CB 3.38Å; K260-P345 WeakPolarHBondContact O-CD 3.38Å
261V98Very high95.7Very high0 Ų047.5 Ų47.50%023%0.225CC..EExtended strand (participates in β ladder)trans-127.6139.2179.7-170.20000109.3K202 Y206 L215 R259 V263 P345 F347K202-V261 PolarHBondContact N-O 2.83Å; K202-V261 PolarHBondContact O-N 3.46Å; Y206-V261 HydrophobicContact CD1-CG2 4.45Å; Y206-V261 HydrophobicContact CD2-CG1 4.14Å; Y206-V261 HydrophobicContact CD2-CG2 3.83Å; Y206-V261 HydrophobicContact CE2-CG1 4.34Å; Y206-V261 HydrophobicContact CG-CG2 3.71Å; L215-V261 HydrophobicContact CD1-CG1 4.48Å; L215-V261 HydrophobicContact CD1-CG2 4.44Å; R259-V261 WeakPolarHBondContact O-CG2 3.26Å; R259-V261 PolarHBondContact O-N 2.97Å; V261-V263 HydrophobicContact CB-CG2 3.92Å; V261-V263 HydrophobicContact CG1-CG2 3.84Å; V261-P345 WeakPolarHBondContact CA-O 3.36Å; V261-P345 HydrophobicContact CG1-CG 4.49Å; V261-P345 WeakPolarHBondContact CG1-O 3.28Å; V261-P345 HydrophobicContact CG2-CG 4.22Å; V261-F347 HydrophobicContact CG1-CB 3.81Å
262E98Very high95.4Very high42 Ų4245 Ų4520%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-83.2106.1163.5176.9-176.7155.800107.7D201 H264 P345 K346 F347D201-E262 WeakPolarHBondContact OD1-CA 3.46Å; D201-E262 VanDerWaalsContact OD1-CB 3.29Å; D201-E262 WeakPolarHBondContact OD1-CB 3.46Å; D201-E262 WeakPolarHBondContact OD1-CG 3.27Å; E262-H264 WeakPolarHBondContact CG-NE2 3.48Å; E262-H264 IonicContact OE1-CD2 3.93Å; E262-H264 IonicContact OE1-CE1 3.93Å; E262-H264 IonicContact OE1-NE2 3Å; E262-H264 PolarHBondContact OE1-NE2 3.46Å; E262-P345 PolarHBondContact N-O 3.34Å; E262-K346 HydrophobicContact CB-CG 4.21Å; E262-K346 VanDerWaalsContact CD-NZ 3.29Å; E262-K346 HydrophobicContact CG-CG 4.48Å; E262-K346 WeakPolarHBondContact O-CA 3.38Å; E262-K346 IonicContact OE1-NZ 3.19Å; E262-K346 PolarHBondContact OE1-NZ 2.95Å; E262-K346 VanDerWaalsContact OE1-NZ 3.07Å; E262-K346 WeakPolarHBondContact OE2-CE 3.47Å; E262-K346 IonicContact OE2-NZ 3.99Å; E262-K346 PolarHBondContact OE2-NZ 3.14Å; E262-F347 PolarHBondContact O-N 2.72Å
263V98.5Very high95.1Very high0 Ų047.7 Ų47.70%023%0.227CC..EExtended strand (participates in β ladder)trans-102.8129.4-170.7175.30000110.2F175 Q199 M200 F204 L215 I217 V261 I265F175-V263 HydrophobicContact CE1-CG1 4.23Å; F175-V263 HydrophobicContact CZ-CG1 4.24Å; Q199-V263 WeakPolarHBondContact CA-O 3.44Å; M200-V263 HydrophobicContact CG-CB 4.43Å; M200-V263 PolarHBondContact N-O 2.87Å; M200-V263 PolarHBondContact O-N 2.81Å; F204-V263 HydrophobicContact CD2-CG2 3.8Å; F204-V263 HydrophobicContact CE2-CG2 4.1Å; L215-V263 HydrophobicContact CD1-CG2 4.03Å; L215-V263 HydrophobicContact CD2-CB 4.33Å; L215-V263 HydrophobicContact CD2-CG1 3.59Å; L215-V263 HydrophobicContact CD2-CG2 3.79Å; I217-V263 HydrophobicContact CD1-CG1 4.25Å; V261-V263 HydrophobicContact CB-CG2 3.92Å; V261-V263 HydrophobicContact CG1-CG2 3.84Å; V263-I265 HydrophobicContact CG1-CD1 4.38Å; V263-I265 HydrophobicContact CG1-CG1 3.6Å
264H98.6Very high94.9Very high25 Ų2548.5 Ų48.512%0.11623%0.231CC..EExtended strand (participates in β ladder)trans-130.3112.2170.1-62.8-113.2000109.1M197 M198 Q199 E262 F347 I348 A349M197-H264 HydrophobicContact CG-CB 3.87Å; M197-H264 HydrophobicContact SD-CB 3.89Å; M198-H264 CarbonylContact O-C 3.57Å; M198-H264 VanDerWaalsContact O-CA 3.3Å; M198-H264 WeakPolarHBondContact O-CA 3.46Å; Q199-H264 PolarHBondContact OE1-CE1 2.91Å; E262-H264 WeakPolarHBondContact CG-NE2 3.48Å; E262-H264 IonicContact OE1-CD2 3.93Å; E262-H264 IonicContact OE1-CE1 3.93Å; E262-H264 IonicContact OE1-NE2 3Å; E262-H264 PolarHBondContact OE1-NE2 3.46Å; H264-F347 PolarHBondContact N-O 3.07Å; H264-I348 HydrophobicContact CB-CB 4.45Å; H264-I348 HydrophobicContact CB-CG1 4.38Å; H264-I348 HydrophobicContact CB-CG2 4.19Å; H264-A349 PolarHBondContact O-N 2.85Å
265I97.7Very high94.8Very high1 Ų150.5 Ų50.51%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-129.7133.5-177-58.7-66.6000110M197 M198 L215 I217 F228 V263 F347 A349M197-I265 PolarHBondContact SD-N 3.39Å; M197-I265 VanDerWaalsContact SD-N 3.37Å; M198-I265 WeakPolarHBondContact CB-O 3.3Å; M198-I265 HydrophobicContact CE-CB 4.43Å; M198-I265 HydrophobicContact CE-CG2 4.32Å; M198-I265 PolarHBondContact N-O 3.22Å; M198-I265 PolarHBondContact O-N 3.3Å; L215-I265 HydrophobicContact CD2-CD1 4.15Å; L215-I265 HydrophobicContact CD2-CG1 4.42Å; I217-I265 HydrophobicContact CD1-CG1 4.46Å; F228-I265 HydrophobicContact CD1-CD1 4.01Å; F228-I265 HydrophobicContact CD1-CG2 4.29Å; F228-I265 HydrophobicContact CD2-CD1 4.18Å; F228-I265 HydrophobicContact CE1-CD1 4.25Å; F228-I265 HydrophobicContact CE1-CG2 3.58Å; F228-I265 HydrophobicContact CE2-CD1 4.42Å; F228-I265 HydrophobicContact CG-CD1 3.97Å; F228-I265 HydrophobicContact CZ-CD1 4.45Å; F228-I265 HydrophobicContact CZ-CG1 4.49Å; F228-I265 HydrophobicContact CZ-CG2 3.74Å; V263-I265 HydrophobicContact CG1-CD1 4.38Å; V263-I265 HydrophobicContact CG1-CG1 3.6Å; I265-F347 HydrophobicContact CD1-CD1 3.66Å; I265-F347 HydrophobicContact CD1-CE1 3.45Å; I265-F347 VanDerWaalsContact CD1-CE1 3.45Å; I265-A349 HydrophobicContact CD1-CB 3.79Å
266P96.7Very high94.8Very high0 Ų048 Ų480%022%0.22CC..EExtended strand (participates in β ladder)trans-61.1140.7174-24.534.5000112.1F185 V195 E196 M197 F268 A349 F353 Y371F185-P266 HydrophobicContact CD2-CG 4.01Å; F185-P266 HydrophobicContact CE2-CG 4.05Å; V195-P266 HydrophobicContact CG2-CB 4.22Å; V195-P266 HydrophobicContact CG2-CG 4.32Å; E196-P266 CarbonylContact O-C 3.56Å; E196-P266 WeakPolarHBondContact O-CA 3.49Å; M197-P266 HydrophobicContact CE-CG 4.03Å; M197-P266 HydrophobicContact SD-CG 4.1Å; P266-F268 HydrophobicContact CB-CD1 4.45Å; P266-F268 VanDerWaalsContact O-CD1 3.27Å; P266-F268 WeakPolarHBondContact O-CD1 2.97Å; P266-A349 WeakPolarHBondContact CD-O 3.28Å; P266-A349 WeakPolarHBondContact CG-O 3.15Å; P266-F353 HydrophobicContact CG-CE1 4.08Å; P266-F353 HydrophobicContact CG-CZ 4.48Å; P266-Y371 HydrophobicContact CB-CD1 4.39Å; P266-Y371 HydrophobicContact CB-CE1 3.63Å; P266-Y371 HydrophobicContact CG-CD1 4.25Å; P266-Y371 HydrophobicContact CG-CE1 3.76Å
267K94.1Very high94.7Very high65 Ų6550.3 Ų50.328%0.28323%0.23SC..  trans-76.5129.6161.1173.7172179.6173.20108.8E196 M198 V318 N319 E320E196-K267 HydrophobicContact CB-CB 4.14Å; E196-K267 HydrophobicContact CB-CD 4.48Å; E196-K267 PolarHBondContact O-N 3.34Å; E196-K267 WeakPolarHBondContact OE2-CD 3.25Å; E196-K267 IonicContact OE2-NZ 3.83Å; M198-K267 HydrophobicContact CG-CB 4.06Å; M198-K267 HydrophobicContact SD-CB 4.16Å; K267-V318 WeakPolarHBondContact CA-O 3.44Å; K267-V318 WeakPolarHBondContact CG-O 3.4Å; K267-N319 HydrophobicContact CD-CB 4.24Å; K267-N319 HydrophobicContact CG-CB 4.22Å; K267-E320 WeakPolarHBondContact CD-OE2 3.35Å; K267-E320 WeakPolarHBondContact CE-OE2 3.44Å; K267-E320 IonicContact NZ-OE1 2.85Å; K267-E320 IonicContact NZ-OE2 3.12Å; K267-E320 PolarHBondContact NZ-OE2 3.4Å
268F92.7Very high94.6Very high13 Ų1351.8 Ų51.86%0.05724%0.235CC..EExtended strand (participates in β ladder)trans-152.5159.1-179.962.6-97.1000112.6M226 P266 L270 V318 F353 F355 Y371M226-F268 HydrophobicContact CE-CZ 3.78Å; P266-F268 HydrophobicContact CB-CD1 4.45Å; P266-F268 VanDerWaalsContact O-CD1 3.27Å; P266-F268 WeakPolarHBondContact O-CD1 2.97Å; F268-L270 HydrophobicContact CD2-CD1 3.98Å; F268-L270 HydrophobicContact CD2-CG 3.92Å; F268-L270 HydrophobicContact CE2-CD1 4Å; F268-L270 HydrophobicContact CE2-CG 4.38Å; F268-V318 HydrophobicContact CD1-CB 4.12Å; F268-V318 HydrophobicContact CD1-CG1 4.25Å; F268-V318 HydrophobicContact CD2-CB 4.26Å; F268-V318 HydrophobicContact CD2-CG2 4.34Å; F268-V318 HydrophobicContact CE1-CB 3.94Å; F268-V318 HydrophobicContact CE1-CG1 3.98Å; F268-V318 HydrophobicContact CE1-CG2 4.02Å; F268-V318 HydrophobicContact CE2-CB 4.11Å; F268-V318 HydrophobicContact CE2-CG2 3.73Å; F268-V318 HydrophobicContact CG-CB 4.29Å; F268-V318 HydrophobicContact CZ-CB 3.96Å; F268-V318 HydrophobicContact CZ-CG1 4.38Å; F268-V318 HydrophobicContact CZ-CG2 3.56Å; F268-V318 PolarHBondContact N-O 3.02Å; F268-V318 PolarHBondContact O-N 3.31Å; F268-V318 VanDerWaalsContact O-O 3.14Å; F268-F353 HydrophobicContact CE1-CE2 4.35Å; F268-F353 HydrophobicContact CE1-CZ 4.08Å; F268-F355 HydrophobicContact CE2-CE1 4.19Å; F268-F355 HydrophobicContact CE2-CZ 4.2Å; F268-F355 HydrophobicContact CZ-CD1 4.14Å; F268-F355 HydrophobicContact CZ-CE1 4.21Å; F268-F355 HydrophobicContact CZ-CG 4.37Å; F268-Y371 HydrophobicContact CB-CD2 4.05Å; F268-Y371 HydrophobicContact CB-CE2 3.44Å; F268-Y371 VanDerWaalsContact CB-CE2 3.44Å; F268-Y371 HydrophobicContact CD1-CD2 4.09Å; F268-Y371 HydrophobicContact CD1-CE2 4.14Å; F268-Y371 HydrophobicContact CD1-CG 4.37Å; F268-Y371 HydrophobicContact CD2-CD2 4.34Å; F268-Y371 AromaticContact CG-CD2 3.92Å; F268-Y371 HydrophobicContact CG-CD2 3.92Å; F268-Y371 AromaticContact CG-CE2 3.83Å; F268-Y371 HydrophobicContact CG-CE2 3.83Å
269K89.7Confident94.5Very high109 Ų10947 Ų4747%0.47421%0.213SC..EExtended strand (participates in β ladder)trans-134.8129174.5175.1177.8160.6163.30107.7F315 I316 E317K269-F315 HydrophobicContact CD-CE2 4.22Å; K269-F315 HydrophobicContact CD-CZ 3.89Å; K269-F315 HydrophobicContact CG-CE2 4.29Å; K269-F315 HydrophobicContact CG-CZ 4.01Å; K269-I316 WeakPolarHBondContact CA-O 3.42Å; K269-E317 HydrophobicContact CB-CG 4.33Å; K269-E317 HydrophobicContact CG-CB 4.5Å; K269-E317 HydrophobicContact CG-CG 4.49Å
270L89.8Confident94.6Very high0 Ų040.9 Ų40.90%019%0.19CC..EExtended strand (participates in β ladder)trans-128.8138.4179.1-56.1171.6000109F26 F268 I316 F355 A376F26-L270 HydrophobicContact CD1-CB 3.55Å; F26-L270 HydrophobicContact CD1-CD1 4.07Å; F26-L270 HydrophobicContact CD1-CG 4.46Å; F26-L270 VanDerWaalsContact CE1-C 3.45Å; F26-L270 HydrophobicContact CE1-CB 3.37Å; F26-L270 WeakPolarHBondContact CE1-O 3.32Å; F26-L270 HydrophobicContact CZ-CB 4.27Å; F26-L270 WeakPolarHBondContact CZ-O 3.15Å; F268-L270 HydrophobicContact CD2-CD1 3.98Å; F268-L270 HydrophobicContact CD2-CG 3.92Å; F268-L270 HydrophobicContact CE2-CD1 4Å; F268-L270 HydrophobicContact CE2-CG 4.38Å; L270-I316 HydrophobicContact CB-CG2 3.92Å; L270-I316 PolarHBondContact N-O 3.43Å; L270-I316 PolarHBondContact O-N 3.36Å; L270-F355 HydrophobicContact CD1-CE1 3.89Å; L270-F355 HydrophobicContact CD1-CZ 3.68Å; L270-A376 HydrophobicContact CB-CB 4.11Å; L270-A376 HydrophobicContact CD2-CB 3.81Å; L270-A376 VanDerWaalsContact CD2-N 3.29Å
271E90Very high94.7Very high71 Ų7138.6 Ų38.633%0.33218%0.181SC..EExtended strand (participates in β ladder)trans-133.1129.8172.2-176.8173.516800106.6K313 A314 F315 A376E271-K313 WeakPolarHBondContact OE1-CE 3.3Å; E271-K313 IonicContact OE1-NZ 2.68Å; E271-K313 PolarHBondContact OE1-NZ 2.7Å; E271-A314 WeakPolarHBondContact CA-O 3.32Å; E271-F315 HydrophobicContact CB-CD2 4.14Å; E271-F315 HydrophobicContact CG-CD2 4.24Å; E271-A376 WeakPolarHBondContact O-CB 3.48Å
272Y90Very high94.6Very high29 Ų2944.7 Ų44.711%0.11420%0.204CC..EExtended strand (participates in β ladder)trans-135.4134.8-177.8-98.7-78.2000110.9S24 F25 F26 K313 A314 A376S24-Y272 WeakPolarHBondContact O-CE2 3.37Å; S24-Y272 PolarHBondContact O-OH 2.83Å; F25-Y272 VanDerWaalsContact CA-CE2 3.47Å; F25-Y272 HydrophobicContact CB-CE2 4.4Å; F25-Y272 AromaticContact CD2-CD1 3.96Å; F25-Y272 HydrophobicContact CD2-CD1 3.96Å; F25-Y272 HydrophobicContact CD2-CD2 4.46Å; F25-Y272 AromaticContact CD2-CE1 3.9Å; F25-Y272 HydrophobicContact CD2-CE1 3.9Å; F25-Y272 HydrophobicContact CD2-CE2 4.34Å; F25-Y272 HydrophobicContact CD2-CG 4.27Å; F25-Y272 HydrophobicContact CE2-CD1 4.31Å; F26-Y272 AromaticContact CD1-CD2 3.54Å; F26-Y272 HydrophobicContact CD1-CD2 3.54Å; F26-Y272 HydrophobicContact CD1-CE2 4.38Å; F26-Y272 HydrophobicContact CD1-CG 4.34Å; F26-Y272 AromaticContact CE1-CD2 3.73Å; F26-Y272 HydrophobicContact CE1-CD2 3.73Å; F26-Y272 HydrophobicContact CE1-CG 4.37Å; Y272-K313 VanDerWaalsContact O-CA 3.27Å; Y272-K313 WeakPolarHBondContact O-CA 3.38Å; Y272-A314 PolarHBondContact N-O 3.01Å; Y272-A314 PolarHBondContact O-N 2.73Å; Y272-A376 HydrophobicContact CD2-CB 3.49Å; Y272-A376 VanDerWaalsContact CD2-CB 3.49Å; Y272-A376 HydrophobicContact CE2-CB 3.04Å; Y272-A376 HydrophobicContact CG-CB 4.41Å
273V92Very high94.5Very high67 Ų6743.3 Ų43.341%0.40620%0.198SC..EExtended strand (participates in β ladder)trans-113.1128.3169.7-166.10000108.3L147 H312 K313L147-V273 WeakPolarHBondContact O-CG1 3.44Å; V273-H312 CarbonylContact C-O 3.48Å; V273-H312 WeakPolarHBondContact CA-O 3.4Å; V273-K313 HydrophobicContact CG2-CD 3.55Å; V273-K313 HydrophobicContact CG2-CG 3.92Å
274L91.7Very high94.4Very high20 Ų2044.4 Ų44.411%0.10521%0.209CC..EExtended strand (participates in β ladder)trans-121.6127.9177.3-72.2-178.7000110.8A18 F25 I27 L276 I279 F311 H312A18-L274 HydrophobicContact CB-CD1 4.21Å; F25-L274 HydrophobicContact CE2-CD1 3.95Å; F25-L274 HydrophobicContact CE2-CD2 4.04Å; F25-L274 HydrophobicContact CE2-CG 4.35Å; F25-L274 HydrophobicContact CZ-CD1 3.93Å; I27-L274 HydrophobicContact CG2-CD1 3.24Å; I27-L274 HydrophobicContact CG2-CG 4.49Å; L274-L276 HydrophobicContact CB-CD2 4.18Å; L274-L276 HydrophobicContact CD1-CD2 4.45Å; L274-L276 PolarHBondContact O-N 2.91Å; L274-I279 HydrophobicContact CB-CD1 4.48Å; L274-I279 HydrophobicContact CD1-CD1 4.24Å; L274-I279 HydrophobicContact CD2-CD1 4.11Å; L274-F311 WeakPolarHBondContact O-CA 3.48Å; L274-H312 HydrophobicContact CB-CB 4.31Å; L274-H312 PolarHBondContact N-O 2.89Å; L274-H312 PolarHBondContact O-N 2.75Å
275Q93.3Very high94.4Very high107 Ų10743.3 Ų43.350%0.520%0.204SC..EExtended strand (participates in β ladder)trans-78.6102.1158.5-60-169.719.400107.5K277 F311Q275-K277 VanDerWaalsContact C-N 3.3Å; Q275-K277 PolarHBondContact O-N 3.41Å; Q275-F311 HydrophobicContact CG-CD1 4.2Å; Q275-F311 HydrophobicContact CG-CE1 3.85Å
276L95.3Very high94.4Very high4 Ų446 Ų462%0.02122%0.221CC..Hα-helixtrans-73-23.8-172.3-69.4176.6000112.7I32 L274 E278 I279 L280 A310 H312I32-L276 HydrophobicContact CD1-CD2 3.91Å; I32-L276 HydrophobicContact CG1-CD1 4.25Å; I32-L276 HydrophobicContact CG1-CD2 4.35Å; I32-L276 HydrophobicContact CG2-CD1 3.92Å; I32-L276 HydrophobicContact CG2-CD2 4.42Å; L274-L276 HydrophobicContact CB-CD2 4.18Å; L274-L276 HydrophobicContact CD1-CD2 4.45Å; L274-L276 PolarHBondContact O-N 2.91Å; L276-E278 PolarHBondContact O-N 3.06Å; L276-I279 WeakPolarHBondContact O-CB 3.32Å; L276-I279 PolarHBondContact O-N 3.33Å; L276-I279 VanDerWaalsContact O-N 3.12Å; L276-L280 HydrophobicContact CB-CD1 3.66Å; L276-L280 HydrophobicContact CB-CG 4.05Å; L276-L280 HydrophobicContact CD1-CD1 4.49Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.96Å; L276-A310 HydrophobicContact CB-CB 3.9Å; L276-A310 WeakPolarHBondContact CB-O 3.31Å; L276-A310 HydrophobicContact CD1-CB 4.46Å; L276-A310 PolarHBondContact N-O 3.23Å; L276-H312 HydrophobicContact CD1-CB 3.8Å; L276-H312 HydrophobicContact CD2-CB 3.93Å; L276-H312 HydrophobicContact CG-CB 3.84Å
277K95.9Very high94.5Very high53 Ų5346.6 Ų46.623%0.2322%0.224CC..Hα-helixtrans-49.9-54.5-172175.5170.6174.8178.90113.5Q275 I279 L280 Q281 F289 S308 E309Q275-K277 VanDerWaalsContact C-N 3.3Å; Q275-K277 PolarHBondContact O-N 3.41Å; K277-I279 PolarHBondContact O-N 2.85Å; K277-L280 PolarHBondContact O-N 3.33Å; K277-Q281 VanDerWaalsContact O-CG 3.32Å; K277-Q281 WeakPolarHBondContact O-CG 3.44Å; K277-Q281 PolarHBondContact O-N 3.42Å; K277-F289 HydrophobicContact CB-CD1 4.34Å; K277-F289 HydrophobicContact CB-CE1 3.92Å; K277-F289 HydrophobicContact CB-CZ 4.36Å; K277-F289 HydrophobicContact CD-CD1 4.02Å; K277-F289 HydrophobicContact CD-CE1 4.36Å; K277-F289 HydrophobicContact CG-CD1 3.68Å; K277-F289 HydrophobicContact CG-CE1 3.77Å; K277-F289 HydrophobicContact CG-CG 4.17Å; K277-F289 HydrophobicContact CG-CZ 4.35Å; K277-S308 WeakPolarHBondContact CD-O 3.49Å; K277-S308 WeakPolarHBondContact CE-O 3.32Å; K277-S308 PolarHBondContact NZ-O 3.37Å; K277-E309 WeakPolarHBondContact CD-OE1 3.35Å; K277-E309 WeakPolarHBondContact CD-OE2 3.46Å; K277-E309 IonicContact NZ-OE1 2.78Å; K277-E309 PolarHBondContact NZ-OE1 3.05Å
278E95.3Very high94.7Very high120 Ų12043.6 Ų43.656%0.56121%0.211SC*.Hα-helixtrans-65.9-39.5-179.2-62.1-175.1173.600112.3L276 Q281 R282L276-E278 PolarHBondContact O-N 3.06Å; E278-Q281 PolarHBondContact O-N 2.92Å; E278-R282 WeakPolarHBondContact O-CG 3.12Å; E278-R282 PolarHBondContact O-N 2.86Å
279I95.9Very high94.9Very high9 Ų943.7 Ų43.75%0.04621%0.211CC..Hα-helixtrans-60.7-47.4176.5-65.8162.2000109.8T14 E17 A18 L274 L276 K277 Q281 R282 L283T14-I279 HydrophobicContact CG2-CG2 4.35Å; E17-I279 HydrophobicContact CB-CG2 3.82Å; A18-I279 HydrophobicContact CB-CD1 3.73Å; A18-I279 HydrophobicContact CB-CG1 4.3Å; A18-I279 HydrophobicContact CB-CG2 4.38Å; L274-I279 HydrophobicContact CB-CD1 4.48Å; L274-I279 HydrophobicContact CD1-CD1 4.24Å; L274-I279 HydrophobicContact CD2-CD1 4.11Å; L276-I279 WeakPolarHBondContact O-CB 3.32Å; L276-I279 PolarHBondContact O-N 3.33Å; L276-I279 VanDerWaalsContact O-N 3.12Å; K277-I279 PolarHBondContact O-N 2.85Å; I279-Q281 PolarHBondContact O-N 3.37Å; I279-R282 PolarHBondContact O-N 2.77Å; I279-L283 HydrophobicContact CG2-CD1 4.5Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 3.25Å
280L97.4Very high95.3Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-67.3-36.6-179.5-65.5172.1000111.7L36 L276 K277 L283 G284 L285 F289 A310L36-L280 HydrophobicContact CD1-CD1 4.39Å; L36-L280 HydrophobicContact CD1-CD2 3.55Å; L36-L280 HydrophobicContact CD2-CD1 3.75Å; L36-L280 HydrophobicContact CD2-CD2 4.32Å; L276-L280 HydrophobicContact CB-CD1 3.66Å; L276-L280 HydrophobicContact CB-CG 4.05Å; L276-L280 HydrophobicContact CD1-CD1 4.49Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.96Å; K277-L280 PolarHBondContact O-N 3.33Å; L280-L283 HydrophobicContact CD2-CD1 4.28Å; L280-L283 WeakPolarHBondContact O-CB 3.49Å; L280-L283 PolarHBondContact O-N 3.32Å; L280-G284 PolarHBondContact O-N 2.91Å; L280-L285 HydrophobicContact CB-CB 4.26Å; L280-L285 HydrophobicContact CB-CD1 4.14Å; L280-L285 HydrophobicContact CD2-CD1 3.8Å; L280-L285 HydrophobicContact CG-CD1 4.44Å; L280-L285 WeakPolarHBondContact O-CB 3.2Å; L280-L285 PolarHBondContact O-N 2.81Å; L280-F289 HydrophobicContact CB-CE2 3.82Å; L280-F289 HydrophobicContact CB-CZ 3.97Å; L280-F289 HydrophobicContact CD1-CE2 4.4Å; L280-F289 HydrophobicContact CD1-CZ 3.78Å; L280-A310 HydrophobicContact CD1-CB 4.29Å
281Q97.8Very high95.6Very high75 Ų7544.1 Ų44.135%0.3523%0.228SC..Hα-helixtrans-62.3-42.9172.6-75.6177-37.100111.9K277 E278 I279 L283 G284 T286 F289K277-Q281 VanDerWaalsContact O-CG 3.32Å; K277-Q281 WeakPolarHBondContact O-CG 3.44Å; K277-Q281 PolarHBondContact O-N 3.42Å; E278-Q281 PolarHBondContact O-N 2.92Å; I279-Q281 PolarHBondContact O-N 3.37Å; Q281-L283 VanDerWaalsContact C-N 3.28Å; Q281-L283 PolarHBondContact O-N 2.81Å; Q281-G284 WeakPolarHBondContact O-CA 3.25Å; Q281-G284 PolarHBondContact O-N 3.31Å; Q281-T286 HydrophobicContact CB-CG2 4.47Å; Q281-F289 HydrophobicContact CG-CD2 3.82Å; Q281-F289 HydrophobicContact CG-CE2 4.28Å; Q281-F289 HydrophobicContact CG-CG 4.47Å
282R96.8Very high96Very high128 Ų12851.2 Ų51.248%0.48325%0.252SS..Hα-helixtrans-64.1-32.5174.1-69.1-169.3-63-91.66.6112.7E17 E278 I279 G284E17-R282 HydrophobicContact CG-CB 4.36Å; E17-R282 PolarHBondContact O-NH2 2.8Å; E17-R282 WeakPolarHBondContact OE2-CB 3.36Å; E17-R282 WeakPolarHBondContact OE2-CD 3.41Å; E17-R282 IonicContact OE2-CZ 2.73Å; E17-R282 IonicContact OE2-NE 3.89Å; E17-R282 PolarHBondContact OE2-NE 2.98Å; E278-R282 WeakPolarHBondContact O-CG 3.12Å; E278-R282 PolarHBondContact O-N 2.86Å; I279-R282 PolarHBondContact O-N 2.77Å; R282-G284 PolarHBondContact O-N 2.88Å
283L95.8Very high96.3Very high14 Ų1453.8 Ų53.87%0.07327%0.267CS..THydrogen-bonded Turntrans-68.9-10.2170.3-68.2176.3000114F10 R13 E17 K54 I279 L280 Q281F10-L283 HydrophobicContact CE2-CD1 4.39Å; R13-L283 HydrophobicContact CB-CD2 3.7Å; E17-L283 HydrophobicContact CB-CD2 4.49Å; E17-L283 HydrophobicContact CG-CD2 3.61Å; E17-L283 HydrophobicContact CG-CG 3.99Å; K54-L283 WeakPolarHBondContact CD-O 3.33Å; K54-L283 VanDerWaalsContact CE-O 3.29Å; K54-L283 WeakPolarHBondContact CE-O 3.4Å; K54-L283 WeakPolarHBondContact CG-O 3.37Å; I279-L283 HydrophobicContact CG2-CD1 4.5Å; I279-L283 WeakPolarHBondContact O-CG 3.49Å; I279-L283 PolarHBondContact O-N 3.25Å; L280-L283 HydrophobicContact CD2-CD1 4.28Å; L280-L283 WeakPolarHBondContact O-CB 3.49Å; L280-L283 PolarHBondContact O-N 3.32Å; Q281-L283 VanDerWaalsContact C-N 3.28Å; Q281-L283 PolarHBondContact O-N 2.81Å
284G96.6Very high96.6Very high23 Ų2350.8 Ų50.824%0.23725%0.249CC..THydrogen-bonded Turntrans97.38.9178.800000114.8L280 Q281 R282 T286L280-G284 PolarHBondContact O-N 2.91Å; Q281-G284 WeakPolarHBondContact O-CA 3.25Å; Q281-G284 PolarHBondContact O-N 3.31Å; R282-G284 PolarHBondContact O-N 2.88Å; G284-T286 PolarHBondContact O-N 3.39Å
285L97.7Very high97Very high1 Ų150.5 Ų50.51%0.00525%0.248CC..  trans-8584.4171.1-58.8176.1000108.6L36 M51 K54 L55 L280 M288 F289L36-L285 HydrophobicContact CD1-CD1 4.4Å; M51-L285 HydrophobicContact CB-CD2 4.35Å; M51-L285 HydrophobicContact CG-CD2 3.96Å; K54-L285 HydrophobicContact CB-CD2 3.79Å; K54-L285 HydrophobicContact CB-CG 4.27Å; K54-L285 HydrophobicContact CG-CD2 4.12Å; L55-L285 HydrophobicContact CD2-CD1 3.97Å; L280-L285 HydrophobicContact CB-CB 4.26Å; L280-L285 HydrophobicContact CB-CD1 4.14Å; L280-L285 HydrophobicContact CD2-CD1 3.8Å; L280-L285 HydrophobicContact CG-CD1 4.44Å; L280-L285 WeakPolarHBondContact O-CB 3.2Å; L280-L285 PolarHBondContact O-N 2.81Å; L285-M288 HydrophobicContact CB-CG 4.48Å; L285-M288 HydrophobicContact CB-SD 3.85Å; L285-M288 HydrophobicContact CD1-SD 4.33Å; L285-F289 HydrophobicContact CB-CE2 4.48Å; L285-F289 WeakPolarHBondContact O-CD2 3.48Å; L285-F289 VanDerWaalsContact O-CE2 3.27Å; L285-F289 WeakPolarHBondContact O-CE2 3.48Å
286T98.1Very high97.2Very high58 Ų5845.4 Ų45.436%0.35622%0.224SC..  trans-108.5-43.4-170.553.40000112.5Q50 Q281 G284 M288 F289Q50-T286 PolarHBondContact NE2-OG1 2.98Å; Q50-T286 VanDerWaalsContact OE1-N 3.13Å; Q50-T286 PolarHBondContact OE1-OG1 2.61Å; Q281-T286 HydrophobicContact CB-CG2 4.47Å; G284-T286 PolarHBondContact O-N 3.39Å; T286-M288 VanDerWaalsContact C-N 3.3Å; T286-M288 PolarHBondContact O-N 2.84Å; T286-F289 PolarHBondContact O-N 3.14Å; T286-F289 VanDerWaalsContact O-N 3.14Å
287D98.4Very high97.3Very high13 Ų1346.3 Ų46.37%0.0723%0.231CC..G310 helixtrans-61.6-39.1-174.8-7519.7000111.9N46 T47 Q50 F289 S290 L293 A294N46-D287 WeakPolarHBondContact CB-OD2 3.35Å; N46-D287 PolarHBondContact ND2-OD2 3.49Å; T47-D287 WeakPolarHBondContact OG1-CB 3.37Å; Q50-D287 VanDerWaalsContact NE2-CG 3.34Å; Q50-D287 PolarHBondContact NE2-OD1 2.71Å; Q50-D287 PolarHBondContact OE1-OD1 2.66Å; D287-F289 PolarHBondContact O-N 3.32Å; D287-F289 VanDerWaalsContact O-N 3.08Å; D287-S290 PolarHBondContact O-N 2.85Å; D287-L293 HydrophobicContact CB-CB 4.23Å; D287-A294 VanDerWaalsContact O-CA 3.25Å; D287-A294 WeakPolarHBondContact O-CA 3.33Å; D287-A294 WeakPolarHBondContact O-CB 3.42Å; D287-A294 PolarHBondContact O-N 3.43Å
288M98.1Very high97.4Very high1 Ų149.3 Ų49.31%0.00524%0.244CC..G310 helixtrans-59.6-23.1-179.168.7-175.2-71.600113.5L36 T39 T47 M51 L161 L285 T286 V307L36-M288 HydrophobicContact CD2-CE 4.09Å; T39-M288 HydrophobicContact CG2-CE 3.89Å; T47-M288 HydrophobicContact CG2-CB 3.86Å; M51-M288 HydrophobicContact CE-CE 4.25Å; M51-M288 HydrophobicContact CE-SD 4.28Å; M51-M288 HydrophobicContact CG-SD 4.42Å; M51-M288 HydrophobicContact SD-SD 4.36Å; L161-M288 HydrophobicContact CD2-CE 4.1Å; L285-M288 HydrophobicContact CB-CG 4.48Å; L285-M288 HydrophobicContact CB-SD 3.85Å; L285-M288 HydrophobicContact CD1-SD 4.33Å; T286-M288 VanDerWaalsContact C-N 3.3Å; T286-M288 PolarHBondContact O-N 2.84Å; M288-V307 HydrophobicContact CE-CB 4.23Å; M288-V307 HydrophobicContact CE-CG2 3.6Å; M288-V307 WeakPolarHBondContact O-CB 3.47Å; M288-V307 PolarHBondContact O-N 2.99Å
289F98Very high97.6Very high16 Ų1643.6 Ų43.67%0.0722%0.217CC..G310 helixtrans-96.5-1.6178.5-61.4-77.1000113.8K277 L280 Q281 L285 T286 D287 V307 A310K277-F289 HydrophobicContact CB-CD1 4.34Å; K277-F289 HydrophobicContact CB-CE1 3.92Å; K277-F289 HydrophobicContact CB-CZ 4.36Å; K277-F289 HydrophobicContact CD-CD1 4.02Å; K277-F289 HydrophobicContact CD-CE1 4.36Å; K277-F289 HydrophobicContact CG-CD1 3.68Å; K277-F289 HydrophobicContact CG-CE1 3.77Å; K277-F289 HydrophobicContact CG-CG 4.17Å; K277-F289 HydrophobicContact CG-CZ 4.35Å; L280-F289 HydrophobicContact CB-CE2 3.82Å; L280-F289 HydrophobicContact CB-CZ 3.97Å; L280-F289 HydrophobicContact CD1-CE2 4.4Å; L280-F289 HydrophobicContact CD1-CZ 3.78Å; Q281-F289 HydrophobicContact CG-CD2 3.82Å; Q281-F289 HydrophobicContact CG-CE2 4.28Å; Q281-F289 HydrophobicContact CG-CG 4.47Å; L285-F289 HydrophobicContact CB-CE2 4.48Å; L285-F289 WeakPolarHBondContact O-CD2 3.48Å; L285-F289 VanDerWaalsContact O-CE2 3.27Å; L285-F289 WeakPolarHBondContact O-CE2 3.48Å; T286-F289 PolarHBondContact O-N 3.14Å; T286-F289 VanDerWaalsContact O-N 3.14Å; D287-F289 PolarHBondContact O-N 3.32Å; D287-F289 VanDerWaalsContact O-N 3.08Å; F289-V307 WeakPolarHBondContact CA-O 3.44Å; F289-V307 HydrophobicContact CD1-CB 3.9Å; F289-V307 HydrophobicContact CD1-CG1 3.77Å; F289-V307 WeakPolarHBondContact CD1-O 3.43Å; F289-V307 HydrophobicContact CE1-CB 3.97Å; F289-V307 HydrophobicContact CE1-CG1 3.44Å; F289-V307 VanDerWaalsContact CE1-CG1 3.44Å; F289-V307 HydrophobicContact CZ-CG1 4.38Å; F289-A310 HydrophobicContact CE1-CB 4.37Å
290S97.7Very high97.6Very high33 Ų3343.6 Ų43.623%0.23122%0.218CC..  trans-100.7120.9-177173.60000110.8D287 R292 L293 A294D287-S290 PolarHBondContact O-N 2.85Å; S290-R292 PolarHBondContact O-N 3.14Å; S290-R292 PolarHBondContact OG-N 2.71Å; S290-L293 PolarHBondContact O-N 3.45Å; S290-L293 PolarHBondContact OG-N 3.36Å; S290-A294 WeakPolarHBondContact O-CB 3.01Å; S290-A294 PolarHBondContact O-N 2.67Å
291S96.1Very high97.5Very high85 Ų8545.8 Ų45.859%0.59424%0.24SC*.THydrogen-bonded Turntrans-60.5-18.3175.359.70000114.3Y306S291-Y306 VanDerWaalsContact CA-CD1 3.47Å; S291-Y306 VanDerWaalsContact CB-CE1 3.42Å
292R97Very high97.4Very high220 Ų22046.7 Ų46.783%0.8325%0.247SC*.THydrogen-bonded Turntrans-96.2-33.5178.7-177.9177.9174.9-176.1-0.7113.3S290S290-R292 PolarHBondContact O-N 3.14Å; S290-R292 PolarHBondContact OG-N 2.71Å
293L98Very high97.2Very high83 Ų8347.9 Ų47.944%0.43525%0.252SS..THydrogen-bonded Turntrans-102-30.3-170.4-59.2174.2000112.8D287 S290 D295 R303D287-L293 HydrophobicContact CB-CB 4.23Å; S290-L293 PolarHBondContact O-N 3.45Å; S290-L293 PolarHBondContact OG-N 3.36Å; L293-D295 PolarHBondContact O-N 3.45Å; L293-R303 PolarHBondContact O-NH2 2.91Å; L293-R303 VanDerWaalsContact O-NH2 3.14Å
294A98.4Very high96.9Very high4 Ų451.4 Ų51.43%0.03327%0.27CS..  trans-51.2130.3-175.600000111.3D287 S290 L305D287-A294 VanDerWaalsContact O-CA 3.25Å; D287-A294 WeakPolarHBondContact O-CA 3.33Å; D287-A294 WeakPolarHBondContact O-CB 3.42Å; D287-A294 PolarHBondContact O-N 3.43Å; S290-A294 WeakPolarHBondContact O-CB 3.01Å; S290-A294 PolarHBondContact O-N 2.67Å; A294-L305 WeakPolarHBondContact CB-O 3.42Å
295D98.6Very high96.9Very high14 Ų1450.4 Ų50.48%0.07526%0.259CS..  trans-120.384.9170.2-1731.8000108.4S43 S44 G45 T47 L293 S297 R303S43-D295 CarbonylContact C-O 3.4Å; S43-D295 WeakPolarHBondContact CA-O 3.36Å; S44-D295 VanDerWaalsContact CB-OD2 3.31Å; S44-D295 WeakPolarHBondContact CB-OD2 3.41Å; S44-D295 PolarHBondContact N-O 3.12Å; S44-D295 WeakPolarHBondContact O-CB 3.45Å; S44-D295 PolarHBondContact OG-OD2 3.49Å; G45-D295 PolarHBondContact N-OD2 3.32Å; T47-D295 PolarHBondContact OG1-N 3.23Å; L293-D295 PolarHBondContact O-N 3.45Å; D295-S297 WeakPolarHBondContact OD1-CB 3.48Å; D295-S297 PolarHBondContact OD1-N 2.91Å; D295-S297 PolarHBondContact OD1-OG 2.85Å; D295-R303 IonicContact OD1-NE 3.98Å
296L98.1Very high96.9Very high0 Ų052.4 Ų52.40%027%0.267CS..  trans-103.129.8171.5-59.9-179.1000111.1T39 G42 T47 L159 K298 I299 L305 V307T39-L296 HydrophobicContact CG2-CD2 3.9Å; G42-L296 CarbonylContact O-C 3.58Å; G42-L296 WeakPolarHBondContact O-CA 3.39Å; T47-L296 HydrophobicContact CG2-CD2 4.27Å; L159-L296 HydrophobicContact CD2-CD1 3.7Å; L296-K298 PolarHBondContact O-N 3.36Å; L296-K298 VanDerWaalsContact O-N 3.12Å; L296-I299 HydrophobicContact CB-CD1 4.09Å; L296-I299 HydrophobicContact CB-CG1 4.32Å; L296-I299 HydrophobicContact CD1-CD1 4.35Å; L296-I299 WeakPolarHBondContact O-CB 2.88Å; L296-I299 PolarHBondContact O-N 3.08Å; L296-L305 HydrophobicContact CB-CB 4.27Å; L296-L305 HydrophobicContact CB-CD2 4.34Å; L296-L305 HydrophobicContact CB-CG 4.46Å; L296-L305 HydrophobicContact CD1-CD2 4.44Å; L296-L305 HydrophobicContact CD1-CG 4.2Å; L296-V307 HydrophobicContact CD1-CG2 4.25Å
297S98.1Very high96.9Very high23 Ų2349.6 Ų49.616%0.16125%0.25CS..Hα-helixtrans-64.2-15.4-175.857.70000114.3D295 I299 G301 N302D295-S297 WeakPolarHBondContact OD1-CB 3.48Å; D295-S297 PolarHBondContact OD1-N 2.91Å; D295-S297 PolarHBondContact OD1-OG 2.85Å; S297-I299 PolarHBondContact O-N 2.79Å; S297-G301 WeakPolarHBondContact O-CA 3.24Å; S297-G301 PolarHBondContact O-N 3.42Å; S297-N302 WeakPolarHBondContact CA-O 3.22Å
298K98Very high96.9Very high116 Ų11649.4 Ų49.450%0.50425%0.25SC..Hα-helixtrans-77.1-9.4171.1-56.7-64.1-173.5177.50112.7G42 F105 L296G42-K298 WeakPolarHBondContact O-CB 3.21Å; G42-K298 PolarHBondContact O-N 3.49Å; G42-K298 VanDerWaalsContact O-N 3.17Å; F105-K298 VanDerWaalsContact CB-O 3.27Å; F105-K298 WeakPolarHBondContact CB-O 3.45Å; L296-K298 PolarHBondContact O-N 3.36Å; L296-K298 VanDerWaalsContact O-N 3.12Å
299I98Very high96.8Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-83.7-47.2171.2-55-173.2000110.9G42 I101 L102 F105 M117 L159 L296 S297 L305G42-I299 VanDerWaalsContact CA-CG1 3.44Å; I101-I299 WeakPolarHBondContact CA-O 2.93Å; I101-I299 HydrophobicContact CD1-CG2 3.87Å; L102-I299 PolarHBondContact N-O 3.33Å; F105-I299 HydrophobicContact CD1-CG1 4.47Å; F105-I299 HydrophobicContact CD1-CG2 4.09Å; F105-I299 HydrophobicContact CD2-CG1 4.04Å; F105-I299 HydrophobicContact CE1-CG1 4.23Å; F105-I299 HydrophobicContact CE1-CG2 3.95Å; F105-I299 HydrophobicContact CE2-CD1 4.22Å; F105-I299 HydrophobicContact CE2-CG1 3.8Å; F105-I299 HydrophobicContact CG-CG1 4.39Å; F105-I299 HydrophobicContact CZ-CD1 4Å; F105-I299 HydrophobicContact CZ-CG1 3.89Å; F105-I299 HydrophobicContact CZ-CG2 4.41Å; M117-I299 HydrophobicContact CE-CG2 4.12Å; M117-I299 HydrophobicContact SD-CG2 3.71Å; L159-I299 HydrophobicContact CD2-CD1 4.23Å; L296-I299 HydrophobicContact CB-CD1 4.09Å; L296-I299 HydrophobicContact CB-CG1 4.32Å; L296-I299 HydrophobicContact CD1-CD1 4.35Å; L296-I299 WeakPolarHBondContact O-CB 2.88Å; L296-I299 PolarHBondContact O-N 3.08Å; S297-I299 PolarHBondContact O-N 2.79Å; I299-L305 HydrophobicContact CB-CD2 3.91Å; I299-L305 HydrophobicContact CD1-CD2 3.9Å; I299-L305 HydrophobicContact CG1-CD2 4.42Å; I299-L305 HydrophobicContact CG2-CD2 3.75Å
300T96.4Very high96.8Very high9 Ų950.3 Ų50.36%0.05525%0.254CS..Hα-helixtrans-121.6-8.4-167.7620000115.5L99 Q100 I101 N302 L305L99-T300 HydrophobicContact CB-CG2 4.34Å; L99-T300 HydrophobicContact CD2-CG2 4.17Å; Q100-T300 VanDerWaalsContact O-CA 3.25Å; Q100-T300 WeakPolarHBondContact O-CA 3.38Å; I101-T300 HydrophobicContact CD1-CG2 4.28Å; T300-N302 PolarHBondContact O-N 2.93Å; T300-N302 PolarHBondContact OG1-N 2.74Å; T300-N302 PolarHBondContact OG1-O 2.94Å; T300-L305 HydrophobicContact CG2-CD2 3.89Å
301G96.1Very high96.7Very high45 Ų4548.9 Ų48.946%0.46424%0.244SC..SBendtrans82.5-11.7-168.800000114.2S297S297-G301 WeakPolarHBondContact O-CA 3.24Å; S297-G301 PolarHBondContact O-N 3.42Å
302N94.6Very high96.7Very high94 Ų9444.9 Ų44.950%0.50322%0.216SC..SBendtrans-121.3162-174.9-63.4-45.6000112.1S297 T300 D304S297-N302 WeakPolarHBondContact CA-O 3.22Å; T300-N302 PolarHBondContact O-N 2.93Å; T300-N302 PolarHBondContact OG1-N 2.74Å; T300-N302 PolarHBondContact OG1-O 2.94Å; N302-D304 VanDerWaalsContact C-N 3.35Å; N302-D304 VanDerWaalsContact CB-OD1 3.26Å; N302-D304 WeakPolarHBondContact CB-OD1 3.36Å
303R93.3Very high96.6Very high154 Ų15435.1 Ų35.158%0.58118%0.179SC*.SBendtrans-9837.4176.6-65.3-171.267.3-174.33.3113L293 D295L293-R303 PolarHBondContact O-NH2 2.91Å; L293-R303 VanDerWaalsContact O-NH2 3.14Å; D295-R303 IonicContact OD1-NE 3.98Å
304D90.1Very high96.4Very high87 Ų8731.1 Ų31.147%0.46516%0.159SC..  trans-107.64.1-176.962.7-16.9000113.5N302N302-D304 VanDerWaalsContact C-N 3.35Å; N302-D304 VanDerWaalsContact CB-OD1 3.26Å; N302-D304 WeakPolarHBondContact CB-OD1 3.36Å
305L97Very high96Very high2 Ų231.6 Ų31.61%0.0116%0.16CC..  trans-112.1133-178.5-169.366.3000111.4L99 R158 L159 A294 L296 I299 T300L99-L305 HydrophobicContact CD1-CD1 3.68Å; R158-L305 HydrophobicContact CB-CD1 4.09Å; L159-L305 HydrophobicContact CB-CD1 3.97Å; L159-L305 HydrophobicContact CB-CG 4.35Å; L159-L305 HydrophobicContact CD2-CD2 4.26Å; L159-L305 HydrophobicContact CD2-CG 4.4Å; A294-L305 WeakPolarHBondContact CB-O 3.42Å; L296-L305 HydrophobicContact CB-CB 4.27Å; L296-L305 HydrophobicContact CB-CD2 4.34Å; L296-L305 HydrophobicContact CB-CG 4.46Å; L296-L305 HydrophobicContact CD1-CD2 4.44Å; L296-L305 HydrophobicContact CD1-CG 4.2Å; I299-L305 HydrophobicContact CB-CD2 3.91Å; I299-L305 HydrophobicContact CD1-CD2 3.9Å; I299-L305 HydrophobicContact CG1-CD2 4.42Å; I299-L305 HydrophobicContact CG2-CD2 3.75Å; T300-L305 HydrophobicContact CG2-CD2 3.89Å
306Y97.8Very high95.6Very high43 Ų4331 Ų3117%0.16916%0.156CC..  trans-141.4151.9173.662.9-84.2000109.8L156 R158 L159 S291 S308L156-Y306 PolarHBondContact O-OH 2.81Å; R158-Y306 HydrophobicContact CB-CD1 4.3Å; R158-Y306 HydrophobicContact CB-CE1 4.09Å; R158-Y306 HydrophobicContact CG-CD1 4.06Å; R158-Y306 HydrophobicContact CG-CE1 3.43Å; R158-Y306 VanDerWaalsContact CG-CE1 3.43Å; L159-Y306 WeakPolarHBondContact CB-O 3.49Å; L159-Y306 PolarHBondContact N-O 2.77Å; S291-Y306 VanDerWaalsContact CA-CD1 3.47Å; S291-Y306 VanDerWaalsContact CB-CE1 3.42Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.25Å; Y306-S308 PolarHBondContact O-N 3.09Å
307V98Very high95.2Very high0 Ų033.9 Ų33.90%017%0.17CC..  trans-68.7115.4171.81800000108.6T39 L159 L161 M288 F289 L296 E309 A310T39-V307 HydrophobicContact CG2-CG2 4.04Å; L159-V307 HydrophobicContact CD2-CG2 3.81Å; L159-V307 HydrophobicContact CG-CG2 4.36Å; L161-V307 HydrophobicContact CD1-CB 4.35Å; L161-V307 HydrophobicContact CD1-CG1 3.82Å; L161-V307 HydrophobicContact CD1-CG2 3.6Å; L161-V307 HydrophobicContact CD2-CG1 4.46Å; L161-V307 HydrophobicContact CD2-CG2 4.4Å; M288-V307 HydrophobicContact CE-CB 4.23Å; M288-V307 HydrophobicContact CE-CG2 3.6Å; M288-V307 WeakPolarHBondContact O-CB 3.47Å; M288-V307 PolarHBondContact O-N 2.99Å; F289-V307 WeakPolarHBondContact CA-O 3.44Å; F289-V307 HydrophobicContact CD1-CB 3.9Å; F289-V307 HydrophobicContact CD1-CG1 3.77Å; F289-V307 WeakPolarHBondContact CD1-O 3.43Å; F289-V307 HydrophobicContact CE1-CB 3.97Å; F289-V307 HydrophobicContact CE1-CG1 3.44Å; F289-V307 VanDerWaalsContact CE1-CG1 3.44Å; F289-V307 HydrophobicContact CZ-CG1 4.38Å; L296-V307 HydrophobicContact CD1-CG2 4.25Å; V307-E309 WeakPolarHBondContact CG1-O 3.25Å; V307-A310 HydrophobicContact CG1-CB 4.5Å
308S97.4Very high94.9Very high8 Ų832.8 Ų32.86%0.05616%0.163CC..  trans-80-48175.3-57.60000110.5T157 R158 L159 K277 Y306T157-S308 WeakPolarHBondContact CA-OG 3.44Å; R158-S308 PolarHBondContact N-OG 2.96Å; L159-S308 PolarHBondContact O-N 2.8Å; K277-S308 WeakPolarHBondContact CD-O 3.49Å; K277-S308 WeakPolarHBondContact CE-O 3.32Å; K277-S308 PolarHBondContact NZ-O 3.37Å; Y306-S308 WeakPolarHBondContact CE2-OG 3.25Å; Y306-S308 PolarHBondContact O-N 3.09Å
309E96.1Very high94.6Very high36 Ų3628.4 Ų28.417%0.16814%0.144CC..EExtended strand (participates in β ladder)trans-145.1156-178.6-68.7-55.3143.700111.7L159 V160 L161 K277 V307 F311L159-E309 PolarHBondContact O-N 2.85Å; V160-E309 WeakPolarHBondContact CA-O 3.46Å; L161-E309 PolarHBondContact N-O 2.92Å; K277-E309 WeakPolarHBondContact CD-OE1 3.35Å; K277-E309 WeakPolarHBondContact CD-OE2 3.46Å; K277-E309 IonicContact NZ-OE1 2.78Å; K277-E309 PolarHBondContact NZ-OE1 3.05Å; V307-E309 WeakPolarHBondContact CG1-O 3.25Å; E309-F311 HydrophobicContact CB-CD2 4.27Å; E309-F311 HydrophobicContact CB-CE2 3.44Å; E309-F311 VanDerWaalsContact CB-CE2 3.44Å; E309-F311 HydrophobicContact CB-CZ 3.93Å; E309-F311 HydrophobicContact CG-CE2 4.22Å; E309-F311 HydrophobicContact CG-CZ 4.27Å
310A97.1Very high94.4Very high1 Ų129 Ų291%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-141.312817800000109.9L161 L276 L280 F289 V307L161-A310 HydrophobicContact CB-CB 3.93Å; L161-A310 HydrophobicContact CD2-CB 4.41Å; L161-A310 WeakPolarHBondContact O-CA 3.44Å; L276-A310 HydrophobicContact CB-CB 3.9Å; L276-A310 WeakPolarHBondContact CB-O 3.31Å; L276-A310 HydrophobicContact CD1-CB 4.46Å; L276-A310 PolarHBondContact N-O 3.23Å; L280-A310 HydrophobicContact CD1-CB 4.29Å; F289-A310 HydrophobicContact CE1-CB 4.37Å; V307-A310 HydrophobicContact CG1-CB 4.5Å
311F96.6Very high93.8Very high3 Ų335.5 Ų35.51%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-127.4138.2-174.3-62.3-87.8000111.9L147 I148 P149 A152 V160 L161 N163 L274 Q275 E309L147-F311 HydrophobicContact CD1-CB 4.09Å; L147-F311 HydrophobicContact CG-CB 4.17Å; I148-F311 HydrophobicContact CB-CD1 4.43Å; I148-F311 HydrophobicContact CB-CD2 4.23Å; I148-F311 HydrophobicContact CB-CE1 4.4Å; I148-F311 HydrophobicContact CB-CE2 4.17Å; I148-F311 HydrophobicContact CB-CG 4.36Å; I148-F311 HydrophobicContact CB-CZ 4.29Å; I148-F311 HydrophobicContact CG2-CB 3.86Å; I148-F311 HydrophobicContact CG2-CD1 3.93Å; I148-F311 HydrophobicContact CG2-CD2 3.28Å; I148-F311 HydrophobicContact CG2-CE1 4.29Å; I148-F311 HydrophobicContact CG2-CE2 3.68Å; I148-F311 HydrophobicContact CG2-CG 3.42Å; I148-F311 VanDerWaalsContact CG2-CG 3.42Å; I148-F311 HydrophobicContact CG2-CZ 4.19Å; P149-F311 HydrophobicContact CG-CE1 4.49Å; A152-F311 HydrophobicContact CB-CE1 4.32Å; A152-F311 HydrophobicContact CB-CE2 4.06Å; A152-F311 HydrophobicContact CB-CZ 3.51Å; V160-F311 HydrophobicContact CG1-CD2 4.04Å; V160-F311 HydrophobicContact CG1-CE2 4.18Å; L161-F311 PolarHBondContact O-N 2.96Å; N163-F311 PolarHBondContact N-O 2.96Å; L274-F311 WeakPolarHBondContact O-CA 3.48Å; Q275-F311 HydrophobicContact CG-CD1 4.2Å; Q275-F311 HydrophobicContact CG-CE1 3.85Å; E309-F311 HydrophobicContact CB-CD2 4.27Å; E309-F311 HydrophobicContact CB-CE2 3.44Å; E309-F311 VanDerWaalsContact CB-CE2 3.44Å; E309-F311 HydrophobicContact CB-CZ 3.93Å; E309-F311 HydrophobicContact CG-CE2 4.22Å; E309-F311 HydrophobicContact CG-CZ 4.27Å
312H96.2Very high91.9Very high0 Ų033.7 Ų33.70%016%0.157CC..EExtended strand (participates in β ladder)trans-125128.8172.2175.461.1000110.4S28 I32 N163 V273 L274 L276S28-H312 PolarHBondContact N-NE2 2.84Å; I32-H312 HydrophobicContact CD1-CB 4.32Å; I32-H312 HydrophobicContact CG1-CB 4.05Å; N163-H312 CarbonylContact O-C 3.53Å; N163-H312 VanDerWaalsContact O-CA 3.25Å; N163-H312 WeakPolarHBondContact O-CA 3.49Å; N163-H312 PolarHBondContact OD1-CE1 2.86Å; N163-H312 VanDerWaalsContact OD1-CE1 3.23Å; N163-H312 PolarHBondContact OD1-ND1 2.81Å; V273-H312 CarbonylContact C-O 3.48Å; V273-H312 WeakPolarHBondContact CA-O 3.4Å; L274-H312 HydrophobicContact CB-CB 4.31Å; L274-H312 PolarHBondContact N-O 2.89Å; L274-H312 PolarHBondContact O-N 2.75Å; L276-H312 HydrophobicContact CD1-CB 3.8Å; L276-H312 HydrophobicContact CD2-CB 3.93Å; L276-H312 HydrophobicContact CG-CB 3.84Å
313K95.5Very high88.6Confident15 Ų1534 Ų347%0.06517%0.166CC..EExtended strand (participates in β ladder)trans-127.5127.7168.5-173.6162.4-176173.10111.3I144 K145 L147 N163 A164 I165 E271 Y272 V273I144-K313 HydrophobicContact CG2-CB 4.12Å; I144-K313 HydrophobicContact CG2-CD 3.53Å; I144-K313 HydrophobicContact CG2-CG 3.73Å; K145-K313 PolarHBondContact O-NZ 3.38Å; L147-K313 HydrophobicContact CD1-CB 3.31Å; N163-K313 PolarHBondContact O-N 2.83Å; A164-K313 VanDerWaalsContact CA-O 3.27Å; A164-K313 WeakPolarHBondContact CA-O 3.1Å; I165-K313 PolarHBondContact N-O 2.95Å; E271-K313 WeakPolarHBondContact OE1-CE 3.3Å; E271-K313 IonicContact OE1-NZ 2.68Å; E271-K313 PolarHBondContact OE1-NZ 2.7Å; Y272-K313 VanDerWaalsContact O-CA 3.27Å; Y272-K313 WeakPolarHBondContact O-CA 3.38Å; V273-K313 HydrophobicContact CG2-CD 3.55Å; V273-K313 HydrophobicContact CG2-CG 3.92Å
314A93.3Very high85.5Confident0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-125.1147.818000000110.8F26 I165 E271 Y272 F367F26-A314 HydrophobicContact CD2-CB 4.22Å; F26-A314 HydrophobicContact CE2-CB 3.46Å; F26-A314 VanDerWaalsContact CE2-CB 3.46Å; F26-A314 HydrophobicContact CZ-CB 3.72Å; F26-A314 VanDerWaalsContact CZ-O 3.25Å; F26-A314 WeakPolarHBondContact CZ-O 3.39Å; I165-A314 HydrophobicContact CG2-CB 4.03Å; I165-A314 WeakPolarHBondContact O-CA 3.29Å; E271-A314 WeakPolarHBondContact CA-O 3.32Å; Y272-A314 PolarHBondContact N-O 3.01Å; Y272-A314 PolarHBondContact O-N 2.73Å; A314-F367 HydrophobicContact CB-CE1 4.16Å
315F90.6Very high82.6Confident14 Ų1436 Ų366%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-131.9133.1174.7-177.3-79.5000110.2I165 F166 F167 K269 E271 E317I165-F315 PolarHBondContact O-N 3.04Å; F166-F315 HydrophobicContact CD2-CB 4Å; F166-F315 AromaticContact CD2-CD1 3.57Å; F166-F315 HydrophobicContact CD2-CD1 3.57Å; F166-F315 HydrophobicContact CD2-CE1 4.28Å; F166-F315 AromaticContact CD2-CG 3.92Å; F166-F315 HydrophobicContact CD2-CG 3.92Å; F166-F315 AromaticContact CE2-CD1 3.41Å; F166-F315 HydrophobicContact CE2-CD1 3.41Å; F166-F315 VanDerWaalsContact CE2-CD1 3.41Å; F166-F315 AromaticContact CE2-CE1 3.66Å; F166-F315 HydrophobicContact CE2-CE1 3.66Å; F166-F315 HydrophobicContact CE2-CG 4.12Å; F166-F315 HydrophobicContact CE2-CZ 4.49Å; F167-F315 PolarHBondContact N-O 3Å; K269-F315 HydrophobicContact CD-CE2 4.22Å; K269-F315 HydrophobicContact CD-CZ 3.89Å; K269-F315 HydrophobicContact CG-CE2 4.29Å; K269-F315 HydrophobicContact CG-CZ 4.01Å; E271-F315 HydrophobicContact CB-CD2 4.14Å; E271-F315 HydrophobicContact CG-CD2 4.24Å; F315-E317 HydrophobicContact CE1-CB 3.88Å; F315-E317 HydrophobicContact CZ-CB 4.4Å
316I89.8Confident79.2Confident0 Ų040.7 Ų40.70%023%0.234CC..EExtended strand (participates in β ladder)trans-139139.6171.9-169.1175.9000110.7F26 M226 K269 L270 V318 F355 I357F26-I316 HydrophobicContact CD1-CG2 4.2Å; F26-I316 HydrophobicContact CD2-CB 4.41Å; F26-I316 HydrophobicContact CD2-CG2 3.86Å; F26-I316 HydrophobicContact CE1-CG2 3.97Å; F26-I316 HydrophobicContact CE2-CB 3.83Å; F26-I316 HydrophobicContact CE2-CG2 3.54Å; F26-I316 HydrophobicContact CG-CG2 4.18Å; F26-I316 HydrophobicContact CZ-CB 4.14Å; F26-I316 HydrophobicContact CZ-CG2 3.61Å; M226-I316 HydrophobicContact CE-CD1 4.18Å; K269-I316 WeakPolarHBondContact CA-O 3.42Å; L270-I316 HydrophobicContact CB-CG2 3.92Å; L270-I316 PolarHBondContact N-O 3.43Å; L270-I316 PolarHBondContact O-N 3.36Å; I316-V318 HydrophobicContact CD1-CG2 4.48Å; I316-F355 HydrophobicContact CD1-CD2 4.48Å; I316-F355 HydrophobicContact CD1-CE2 4.03Å; I316-I357 HydrophobicContact CD1-CD1 3.5Å; I316-I357 HydrophobicContact CD1-CG1 4.32Å; I316-I357 HydrophobicContact CG1-CD1 4.28Å
317E89.3Confident75.8Confident61 Ų6142.4 Ų42.429%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-130.5125.1173.3-173.4-175.7170.700109.6K269 F315 N319K269-E317 HydrophobicContact CB-CG 4.33Å; K269-E317 HydrophobicContact CG-CB 4.5Å; K269-E317 HydrophobicContact CG-CG 4.49Å; F315-E317 HydrophobicContact CE1-CB 3.88Å; F315-E317 HydrophobicContact CZ-CB 4.4Å; E317-N319 PolarHBondContact OE1-ND2 3.44Å
318V91.8Very high72.4Confident1 Ų147.2 Ų47.21%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-113.9111.5176.6168.30000107.7W171 M198 M226 K267 F268 I316W171-V318 HydrophobicContact CZ2-CG1 4.12Å; M198-V318 HydrophobicContact CE-CG1 3.7Å; M226-V318 HydrophobicContact CE-CG2 3.71Å; M226-V318 HydrophobicContact SD-CG2 3.64Å; K267-V318 WeakPolarHBondContact CA-O 3.44Å; K267-V318 WeakPolarHBondContact CG-O 3.4Å; F268-V318 HydrophobicContact CD1-CB 4.12Å; F268-V318 HydrophobicContact CD1-CG1 4.25Å; F268-V318 HydrophobicContact CD2-CB 4.26Å; F268-V318 HydrophobicContact CD2-CG2 4.34Å; F268-V318 HydrophobicContact CE1-CB 3.94Å; F268-V318 HydrophobicContact CE1-CG1 3.98Å; F268-V318 HydrophobicContact CE1-CG2 4.02Å; F268-V318 HydrophobicContact CE2-CB 4.11Å; F268-V318 HydrophobicContact CE2-CG2 3.73Å; F268-V318 HydrophobicContact CG-CB 4.29Å; F268-V318 HydrophobicContact CZ-CB 3.96Å; F268-V318 HydrophobicContact CZ-CG1 4.38Å; F268-V318 HydrophobicContact CZ-CG2 3.56Å; F268-V318 PolarHBondContact N-O 3.02Å; F268-V318 PolarHBondContact O-N 3.31Å; F268-V318 VanDerWaalsContact O-O 3.14Å; I316-V318 HydrophobicContact CD1-CG2 4.48Å
319N92.6Very high69.2Low23 Ų2352.2 Ų52.212%0.12333%0.327CS..  trans-142.7-174-179.867.238.4000111W171 K267 E317 K321W171-N319 PolarHBondContact NE1-O 3.44Å; K267-N319 HydrophobicContact CD-CB 4.24Å; K267-N319 HydrophobicContact CG-CB 4.22Å; E317-N319 PolarHBondContact OE1-ND2 3.44Å; N319-K321 VanDerWaalsContact C-N 3.31Å; N319-K321 PolarHBondContact O-N 3.4Å; N319-K321 PolarHBondContact OD1-N 2.88Å
320E93Very high65.9Low13 Ų1354.7 Ų54.76%0.06135%0.354CS..SBendtrans-71.7-23.3-173.3-62.190.5159.700114.4F175 T177 T180 M198 K267F175-E320 HydrophobicContact CB-CB 4.01Å; F175-E320 HydrophobicContact CB-CG 4.11Å; F175-E320 PolarHBondContact N-O 3.13Å; T177-E320 HydrophobicContact CG2-CB 3.76Å; T177-E320 HydrophobicContact CG2-CG 3.95Å; T180-E320 WeakPolarHBondContact CB-OE1 3.26Å; T180-E320 WeakPolarHBondContact CG2-OE1 3.32Å; T180-E320 VanDerWaalsContact OG1-CG 3.28Å; T180-E320 WeakPolarHBondContact OG1-CG 3.25Å; T180-E320 PolarHBondContact OG1-OE1 3.17Å; M198-E320 HydrophobicContact CG-CG 4Å; M198-E320 HydrophobicContact SD-CB 4.42Å; M198-E320 HydrophobicContact SD-CG 3.86Å; M198-E320 PolarHBondContact SD-N 3.1Å; M198-E320 VanDerWaalsContact SD-N 3.44Å; K267-E320 WeakPolarHBondContact CD-OE2 3.35Å; K267-E320 WeakPolarHBondContact CE-OE2 3.44Å; K267-E320 IonicContact NZ-OE1 2.85Å; K267-E320 IonicContact NZ-OE2 3.12Å; K267-E320 PolarHBondContact NZ-OE2 3.4Å
321K83.8Confident62.6Low145 Ų14559.6 Ų59.663%0.6338%0.383SS*.  trans-78.5134.5-164.6-72.2-169.7174.2-172.90112.9N319N319-K321 VanDerWaalsContact C-N 3.31Å; N319-K321 PolarHBondContact O-N 3.4Å; N319-K321 PolarHBondContact OD1-N 2.88Å
322G55.8Low59.4Low8 Ų865.1 Ų65.18%0.08242%0.417CS..SBend-123.3156.3113.700000108.6D170 P174 E324D170-G322 WeakPolarHBondContact OD2-CA 3.4Å; P174-G322 WeakPolarHBondContact CG-O 3.31Å; G322-E324 PolarHBondContact O-N 3.33Å
323S25.8Very low56.3Low101 Ų10170.8 Ų70.871%0.70645%0.452SS*.  trans-36.2136.5-170.2-170.10000114.7D170 A325D170-S323 PolarHBondContact OD2-N 3.29Å; S323-A325 VanDerWaalsContact C-N 3.32Å; S323-A325 PolarHBondContact O-N 3.08Å
324E28.6Very low53.5Low192 Ų19277.2 Ų77.290%0.89749%0.486SS*.  trans-65.881.6-174.4-165177-161.400111.5G322G322-E324 PolarHBondContact O-N 3.33Å
325A28.4Very low50.9Low90 Ų9085.2 Ų85.274%0.74453%0.528SS*.  trans-89.897.8162.500000107.7S323 A327S323-A325 VanDerWaalsContact C-N 3.32Å; S323-A325 PolarHBondContact O-N 3.08Å; A325-A327 PolarHBondContact O-N 3.2Å
326A25.3Very low48.4Very low101 Ų10196.6 Ų96.684%0.83557%0.57SS**  trans-62.679.5166.900000110.2
327A26.8Very low46.1Very low78 Ų78101.3 Ų101.365%0.64560%0.603SS**  trans-10380.1160.600000107.6A325 T329A325-A327 PolarHBondContact O-N 3.2Å; A327-T329 PolarHBondContact O-N 3.02Å
328A26.8Very low43.9Very low102 Ų102106.2 Ų106.284%0.84363%0.629SS**  trans-69.670.5164.600000109A330A328-A330 VanDerWaalsContact C-N 3.27Å; A328-A330 PolarHBondContact O-N 3.16Å; A328-A330 VanDerWaalsContact O-N 3.07Å
329T29.4Very low41.6Very low113 Ų113110.8 Ų110.869%0.69366%0.659SS**  trans-83.483.5168.6-300000107.3A327 V331A327-T329 PolarHBondContact O-N 3.02Å; T329-V331 HydrophobicContact CG2-CG2 3.99Å; T329-V331 PolarHBondContact O-N 3.39Å
330A27.2Very low39.5Very low88 Ų88115.7 Ų115.773%0.72769%0.69SS**  trans-66.387.3163.600000107.5A328 V332A328-A330 VanDerWaalsContact C-N 3.27Å; A328-A330 PolarHBondContact O-N 3.16Å; A328-A330 VanDerWaalsContact O-N 3.07Å; A330-V332 PolarHBondContact O-N 2.77Å
331V29Very low37.5Very low104 Ų104125.9 Ų125.963%0.6373%0.728SS**  trans-74.489.3167-178.40000106.4T329 T333T329-V331 HydrophobicContact CG2-CG2 3.99Å; T329-V331 PolarHBondContact O-N 3.39Å; V331-T333 HydrophobicContact CG1-CG2 3.67Å; V331-T333 PolarHBondContact O-N 3.33Å; V331-T333 VanDerWaalsContact O-N 3.12Å
332V28.5Very low36.7Very low118 Ų118124.7 Ų124.772%0.71573%0.732SS**  trans-77.580.3162.5-177.10000106.4A330 L334A330-V332 PolarHBondContact O-N 2.77Å; V332-L334 HydrophobicContact CG1-CG 4.5Å; V332-L334 PolarHBondContact O-N 2.92Å
333T30.6Very low38Very low120 Ų120130.6 Ų130.674%0.73676%0.762SS**  trans-8295.3164.130.70000108.6V331 L335V331-T333 HydrophobicContact CG1-CG2 3.67Å; V331-T333 PolarHBondContact O-N 3.33Å; V331-T333 VanDerWaalsContact O-N 3.12Å; T333-L335 PolarHBondContact O-N 3.19Å
334L37.4Very low41.1Very low150 Ų150127.7 Ų127.779%0.78574%0.741SS**  trans-55.7123.7151.5-74.2156.2000108V332V332-L334 HydrophobicContact CG1-CG 4.5Å; V332-L334 PolarHBondContact O-N 2.92Å
335L37.8Very low44.3Very low167 Ų167120.5 Ų120.587%0.87471%0.711SS**  trans178.4106.3134.5-91.5164.7000107.9T333 S337T333-L335 PolarHBondContact O-N 3.19Å; L335-S337 PolarHBondContact O-N 3.04Å
336R39.5Very low47.6Very low254 Ų254121.4 Ų121.496%0.95870%0.698SS**  trans-77.793.5175.5-66.9179.2179-177.80.2109.1
337S41.5Very low51.1Low98 Ų98116.6 Ų116.669%0.68566%0.658SS**  trans-103.9125.9138.139.10000104.8L335 P339L335-S337 PolarHBondContact O-N 3.04Å; S337-P339 WeakPolarHBondContact O-CD 3.31Å; S337-P339 WeakPolarHBondContact O-CG 3.27Å
338I41.8Very low54.5Low164 Ų164115.7 Ų115.784%0.84164%0.642SS**  trans-64.4101.2-173.3-58170.6000107.4
339P45.1Very low57.9Low97 Ų97110.9 Ų110.963%0.6360%0.602SS**  trans-74.5143.7167.60.322.7000104.6S337 R341S337-P339 WeakPolarHBondContact O-CD 3.31Å; S337-P339 WeakPolarHBondContact O-CG 3.27Å; P339-R341 PolarHBondContact O-N 3.04Å
340V46.8Very low61.1Low127 Ų127107 Ų10777%0.7758%0.577SS**  trans-44.2114.3162.9176.50000106.1V342V340-V342 HydrophobicContact CG1-CG2 4.07Å; V340-V342 PolarHBondContact O-N 2.7Å
341R50.9Low64.5Low227 Ų227103.3 Ų103.386%0.85755%0.545SS*.  trans-68.677.4179.9-75.9-175.8179.4-176.70.4107.2P339 N343P339-R341 PolarHBondContact O-N 3.04Å; R341-N343 VanDerWaalsContact C-N 3.33Å; R341-N343 PolarHBondContact O-N 3.35Å
342V67.9Low67.8Low119 Ų11998.5 Ų98.572%0.72152%0.515SS*.  trans-69.3103.5163-174.70000103.8V340V340-V342 HydrophobicContact CG1-CG2 4.07Å; V340-V342 PolarHBondContact O-N 2.7Å
343N83.9Confident71.1Confident132 Ų13292.9 Ų92.971%0.70648%0.481SS*.PPolyproline II helixtrans-54.5134.9171.1-71.1-32.9000107.2R341R341-N343 VanDerWaalsContact C-N 3.33Å; R341-N343 PolarHBondContact O-N 3.35Å
344P89.6Confident74.3Confident41 Ų4187.2 Ų87.227%0.26645%0.446SS..PPolyproline II helixtrans-56.6143.3177.225.7-33.6000109.1K260K260-P344 HydrophobicContact CB-CB 4.45Å; K260-P344 HydrophobicContact CG-CB 4.15Å; K260-P344 VanDerWaalsContact O-CB 3.26Å; K260-P344 WeakPolarHBondContact O-CB 3.38Å
345P95.4Very high77.1Confident40 Ų4080 Ų8026%0.2641%0.409SS..PPolyproline II helixtrans-54.8144170.524.3-34.9000110Y206 K260 V261 E262Y206-P345 HydrophobicContact CD1-CG 4.05Å; Y206-P345 HydrophobicContact CE1-CB 3.8Å; Y206-P345 HydrophobicContact CE1-CG 3.71Å; Y206-P345 HydrophobicContact CE2-CB 4.38Å; K260-P345 WeakPolarHBondContact O-CD 3.38Å; V261-P345 WeakPolarHBondContact CA-O 3.36Å; V261-P345 HydrophobicContact CG1-CG 4.49Å; V261-P345 WeakPolarHBondContact CG1-O 3.28Å; V261-P345 HydrophobicContact CG2-CG 4.22Å; E262-P345 PolarHBondContact N-O 3.34Å
346K97.9Very high80Confident110 Ų11072.1 Ų72.148%0.47837%0.368SS..EExtended strand (participates in β ladder)trans-98127.6172.7-55.5-172.7178.8-116.20108.6Q213 E262 I348Q213-K346 PolarHBondContact NE2-O 2.96Å; E262-K346 HydrophobicContact CB-CG 4.21Å; E262-K346 VanDerWaalsContact CD-NZ 3.29Å; E262-K346 HydrophobicContact CG-CG 4.48Å; E262-K346 WeakPolarHBondContact O-CA 3.38Å; E262-K346 IonicContact OE1-NZ 3.19Å; E262-K346 PolarHBondContact OE1-NZ 2.95Å; E262-K346 VanDerWaalsContact OE1-NZ 3.07Å; E262-K346 WeakPolarHBondContact OE2-CE 3.47Å; E262-K346 IonicContact OE2-NZ 3.99Å; E262-K346 PolarHBondContact OE2-NZ 3.14Å; K346-I348 HydrophobicContact CB-CD1 4.23Å; K346-I348 HydrophobicContact CB-CG1 4.14Å; K346-I348 HydrophobicContact CD-CD1 4.29Å
347F98.5Very high82.7Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-110.299.7169.5-171-80.3000107.4Y206 Q213 L215 F228 L230 V261 E262 H264 I265 A349Y206-F347 HydrophobicContact CD2-CD2 4.48Å; Y206-F347 HydrophobicContact CE2-CB 4.47Å; Y206-F347 HydrophobicContact CE2-CD2 4.06Å; Q213-F347 HydrophobicContact CB-CD2 3.7Å; Q213-F347 HydrophobicContact CB-CE2 3.69Å; L215-F347 HydrophobicContact CB-CD1 4.15Å; L215-F347 HydrophobicContact CB-CD2 3.68Å; L215-F347 HydrophobicContact CB-CE1 4.11Å; L215-F347 HydrophobicContact CB-CE2 3.62Å; L215-F347 HydrophobicContact CB-CG 3.95Å; L215-F347 HydrophobicContact CB-CZ 3.84Å; L215-F347 HydrophobicContact CD2-CB 4.4Å; L215-F347 HydrophobicContact CD2-CD1 3.74Å; L215-F347 HydrophobicContact CD2-CE1 4.12Å; L215-F347 HydrophobicContact CD2-CG 3.99Å; F228-F347 HydrophobicContact CB-CE1 3.79Å; F228-F347 HydrophobicContact CB-CZ 3.52Å; F228-F347 HydrophobicContact CG-CE1 4.49Å; L230-F347 HydrophobicContact CB-CE1 4.3Å; L230-F347 HydrophobicContact CB-CE2 3.81Å; L230-F347 HydrophobicContact CB-CZ 3.54Å; L230-F347 HydrophobicContact CD2-CE1 4.29Å; L230-F347 HydrophobicContact CD2-CE2 4.4Å; L230-F347 HydrophobicContact CD2-CZ 4.22Å; L230-F347 HydrophobicContact CG-CZ 4.49Å; V261-F347 HydrophobicContact CG1-CB 3.81Å; E262-F347 PolarHBondContact O-N 2.72Å; H264-F347 PolarHBondContact N-O 3.07Å; I265-F347 HydrophobicContact CD1-CD1 3.66Å; I265-F347 HydrophobicContact CD1-CE1 3.45Å; I265-F347 VanDerWaalsContact CD1-CE1 3.45Å; F347-A349 HydrophobicContact CE1-CB 4.03Å
348I98.4Very high85.2Confident59 Ų5955.6 Ų55.630%0.30329%0.291SS..EExtended strand (participates in β ladder)trans-11498.7-176.4-53.9176.6000108.7L230 H264 K346 D350L230-I348 VanDerWaalsContact CD2-O 3.25Å; L230-I348 WeakPolarHBondContact CD2-O 3.4Å; H264-I348 HydrophobicContact CB-CB 4.45Å; H264-I348 HydrophobicContact CB-CG1 4.38Å; H264-I348 HydrophobicContact CB-CG2 4.19Å; K346-I348 HydrophobicContact CB-CD1 4.23Å; K346-I348 HydrophobicContact CB-CG1 4.14Å; K346-I348 HydrophobicContact CD-CD1 4.29Å; I348-D350 HydrophobicContact CG2-CB 3.95Å; I348-D350 PolarHBondContact O-N 2.87Å
349A98.3Very high87.6Confident0 Ų048 Ų480%025%0.252CS..  trans-82.560.5-179.800000111.7F185 L230 H264 I265 P266 F347 H351 F353F185-A349 WeakPolarHBondContact CE2-O 3.42Å; L230-A349 HydrophobicContact CD1-CB 4.34Å; H264-A349 PolarHBondContact O-N 2.85Å; I265-A349 HydrophobicContact CD1-CB 3.79Å; P266-A349 WeakPolarHBondContact CD-O 3.28Å; P266-A349 WeakPolarHBondContact CG-O 3.15Å; F347-A349 HydrophobicContact CE1-CB 4.03Å; A349-H351 VanDerWaalsContact C-N 3.34Å; A349-F353 HydrophobicContact CB-CD1 3.69Å; A349-F353 HydrophobicContact CB-CE1 3.72Å; A349-F353 HydrophobicContact CB-CG 4.48Å
350D98Very high89.6Confident33 Ų3348.7 Ų48.718%0.17624%0.242CC..  trans-90.69.2-179.368.8-6.6000114F185 Y186 M197 I348F185-D350 CarbonylContact C-O 3.54Å; F185-D350 VanDerWaalsContact CA-O 3.26Å; F185-D350 WeakPolarHBondContact CA-O 3.5Å; F185-D350 VanDerWaalsContact CD2-C 3.45Å; Y186-D350 HydrophobicContact CD2-CB 4.42Å; Y186-D350 VanDerWaalsContact CD2-O 3.31Å; Y186-D350 WeakPolarHBondContact CD2-O 3.28Å; Y186-D350 HydrophobicContact CE2-CB 4.47Å; Y186-D350 WeakPolarHBondContact CE2-OD2 3.32Å; Y186-D350 PolarHBondContact N-O 2.89Å; M197-D350 HydrophobicContact CE-CB 4.37Å; I348-D350 HydrophobicContact CG2-CB 3.95Å; I348-D350 PolarHBondContact O-N 2.87Å
351H98Very high91.3Very high10 Ų1046.6 Ų46.65%0.04623%0.233CC..SBendtrans-154.2172.2-179.763.5-90.9000110.1F185 L230 P231 K234 A349 F353F185-H351 WeakPolarHBondContact CZ-O 3.31Å; L230-H351 VanDerWaalsContact CD1-CE1 3.49Å; L230-H351 WeakPolarHBondContact CD1-CE1 3.49Å; L230-H351 VanDerWaalsContact CD1-NE2 3.32Å; L230-H351 WeakPolarHBondContact CD1-NE2 3.34Å; P231-H351 PolarHBondContact O-CE1 3.05Å; P231-H351 PolarHBondContact O-NE2 2.93Å; K234-H351 VanDerWaalsContact CA-CD2 3.47Å; K234-H351 WeakPolarHBondContact CA-CD2 3.47Å; K234-H351 HydrophobicContact CB-CB 4.28Å; K234-H351 HydrophobicContact CG-CB 4.49Å; K234-H351 WeakPolarHBondContact O-CB 3.49Å; K234-H351 PolarHBondContact O-CD2 3.47Å; A349-H351 VanDerWaalsContact C-N 3.34Å; H351-F353 WeakPolarHBondContact O-CD1 3.45Å; H351-F353 PolarHBondContact O-N 2.87Å
352P97.7Very high93Very high2 Ų239 Ų391%0.01321%0.209CC..  trans-55.5128.6-168.9-30.134.1000114.9F185 Y186 V187 P231 L237 Y371 Y372F185-P352 HydrophobicContact CE1-CG 4.38Å; Y186-P352 WeakPolarHBondContact O-CD 3.27Å; V187-P352 VanDerWaalsContact O-CG 3.22Å; V187-P352 WeakPolarHBondContact O-CG 3.35Å; P231-P352 WeakPolarHBondContact CD-O 3.3Å; L237-P352 HydrophobicContact CB-CB 3.98Å; L237-P352 HydrophobicContact CD2-CB 3.63Å; L237-P352 HydrophobicContact CG-CB 4.44Å; P352-Y371 VanDerWaalsContact CA-O 3.24Å; P352-Y371 WeakPolarHBondContact CA-O 3.25Å; P352-Y372 HydrophobicContact CB-CD1 3.65Å; P352-Y372 HydrophobicContact CB-CE1 3.54Å; P352-Y372 HydrophobicContact CB-CE2 4.45Å; P352-Y372 HydrophobicContact CB-CG 4.15Å; P352-Y372 HydrophobicContact CG-CD1 3.24Å; P352-Y372 HydrophobicContact CG-CE1 3.42Å; P352-Y372 VanDerWaalsContact CG-CE1 3.42Å; P352-Y372 HydrophobicContact CG-CG 4.03Å
353F97.8Very high94Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-133158.5179.758.3-97.2000111.7F185 F228 V229 L230 P266 F268 A349 H351 F355 N370 Y371F185-F353 HydrophobicContact CE2-CD1 4.41Å; F185-F353 HydrophobicContact CE2-CE1 4.09Å; F228-F353 AromaticContact CD1-CD2 3.97Å; F228-F353 HydrophobicContact CD1-CD2 3.97Å; F228-F353 AromaticContact CD1-CE2 3.65Å; F228-F353 HydrophobicContact CD1-CE2 3.65Å; F228-F353 HydrophobicContact CD1-CZ 4.33Å; F228-F353 HydrophobicContact CE1-CE2 4.02Å; F228-F353 HydrophobicContact CE1-CZ 4.5Å; V229-F353 WeakPolarHBondContact O-CB 3.39Å; L230-F353 HydrophobicContact CD1-CB 3.84Å; P266-F353 HydrophobicContact CG-CE1 4.08Å; P266-F353 HydrophobicContact CG-CZ 4.48Å; F268-F353 HydrophobicContact CE1-CE2 4.35Å; F268-F353 HydrophobicContact CE1-CZ 4.08Å; A349-F353 HydrophobicContact CB-CD1 3.69Å; A349-F353 HydrophobicContact CB-CE1 3.72Å; A349-F353 HydrophobicContact CB-CG 4.48Å; H351-F353 WeakPolarHBondContact O-CD1 3.45Å; H351-F353 PolarHBondContact O-N 2.87Å; F353-F355 HydrophobicContact CD2-CB 4.29Å; F353-F355 HydrophobicContact CD2-CD1 4.49Å; F353-F355 HydrophobicContact CE2-CB 4.15Å; F353-F355 HydrophobicContact CE2-CD1 4.09Å; F353-N370 VanDerWaalsContact O-CA 3.24Å; F353-N370 WeakPolarHBondContact O-CA 3.21Å; F353-Y371 HydrophobicContact CD1-CD1 4.45Å; F353-Y371 AromaticContact CE1-CD1 3.52Å; F353-Y371 HydrophobicContact CE1-CD1 3.52Å; F353-Y371 HydrophobicContact CE1-CE1 4.44Å; F353-Y371 HydrophobicContact CE1-CG 4.15Å; F353-Y371 HydrophobicContact CE2-CG 4.47Å; F353-Y371 AromaticContact CZ-CD1 3.61Å; F353-Y371 HydrophobicContact CZ-CD1 3.61Å; F353-Y371 AromaticContact CZ-CG 3.84Å; F353-Y371 HydrophobicContact CZ-CG 3.84Å; F353-Y371 PolarHBondContact N-O 3.43Å; F353-Y371 PolarHBondContact O-N 3.04Å
354L97.8Very high94.4Very high1 Ų130.3 Ų30.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-85.9138.9165.7175.180000108.5F228 V229 L237 M240 M241 L244 L249 M368 G369F228-L354 WeakPolarHBondContact CA-O 3.36Å; V229-L354 HydrophobicContact CB-CB 4.22Å; V229-L354 HydrophobicContact CB-CD2 4.3Å; V229-L354 HydrophobicContact CG2-CD2 4.17Å; V229-L354 PolarHBondContact N-O 2.93Å; V229-L354 PolarHBondContact O-N 2.77Å; L237-L354 HydrophobicContact CD1-CB 4.24Å; M240-L354 HydrophobicContact CE-CB 3.57Å; M240-L354 HydrophobicContact CE-CD2 4.29Å; M241-L354 HydrophobicContact CE-CD1 3.97Å; M241-L354 HydrophobicContact SD-CB 4.4Å; M241-L354 HydrophobicContact SD-CD1 3.95Å; M241-L354 HydrophobicContact SD-CD2 4.32Å; M241-L354 HydrophobicContact SD-CG 4.47Å; L244-L354 HydrophobicContact CD1-CD2 4.2Å; L249-L354 HydrophobicContact CD1-CD2 3.8Å; L354-M368 HydrophobicContact CD1-CG 3.92Å; L354-M368 HydrophobicContact CD1-SD 4.48Å; L354-G369 CarbonylContact C-O 3.57Å; L354-G369 WeakPolarHBondContact CA-O 3.37Å; L354-G369 VanDerWaalsContact CD1-O 3.29Å; L354-G369 WeakPolarHBondContact CD1-O 3.49Å
355F97.4Very high94.7Very high0 Ų028.5 Ų28.50%014%0.142CC..EExtended strand (participates in β ladder)trans-125.2150.4166.767.2-94.6000111.1F26 M226 Y227 F228 F268 L270 I316 F353 M368 G369F26-F355 HydrophobicContact CB-CE2 4.05Å; F26-F355 HydrophobicContact CB-CZ 3.66Å; F26-F355 HydrophobicContact CG-CZ 4.28Å; M226-F355 HydrophobicContact CE-CB 3.6Å; M226-F355 HydrophobicContact CE-CD2 3.44Å; M226-F355 VanDerWaalsContact CE-CD2 3.44Å; M226-F355 HydrophobicContact CE-CE2 4.26Å; M226-F355 HydrophobicContact CE-CG 3.66Å; Y227-F355 CarbonylContact O-C 3.16Å; Y227-F355 WeakPolarHBondContact O-CA 3.29Å; F228-F355 HydrophobicContact CD1-CB 4.21Å; F228-F355 HydrophobicContact CE1-CB 4.4Å; F268-F355 HydrophobicContact CE2-CE1 4.19Å; F268-F355 HydrophobicContact CE2-CZ 4.2Å; F268-F355 HydrophobicContact CZ-CD1 4.14Å; F268-F355 HydrophobicContact CZ-CE1 4.21Å; F268-F355 HydrophobicContact CZ-CG 4.37Å; L270-F355 HydrophobicContact CD1-CE1 3.89Å; L270-F355 HydrophobicContact CD1-CZ 3.68Å; I316-F355 HydrophobicContact CD1-CD2 4.48Å; I316-F355 HydrophobicContact CD1-CE2 4.03Å; F353-F355 HydrophobicContact CD2-CB 4.29Å; F353-F355 HydrophobicContact CD2-CD1 4.49Å; F353-F355 HydrophobicContact CE2-CB 4.15Å; F353-F355 HydrophobicContact CE2-CD1 4.09Å; F355-M368 WeakPolarHBondContact O-CA 3.32Å; F355-G369 WeakPolarHBondContact CD1-O 3.44Å; F355-G369 PolarHBondContact N-O 2.88Å; F355-G369 PolarHBondContact O-N 2.7Å; F355-G369 VanDerWaalsContact O-O 3.09Å
356A97.8Very high94.6Very high1 Ų126.6 Ų26.61%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-146.8141.3175.300000111.1M226 Y227 F253 V358 I365 F367 M368M226-A356 CarbonylContact C-O 3.33Å; M226-A356 WeakPolarHBondContact CA-O 3.45Å; Y227-A356 PolarHBondContact N-O 3Å; Y227-A356 PolarHBondContact O-N 2.83Å; F253-A356 HydrophobicContact CE2-CB 4.43Å; F253-A356 HydrophobicContact CZ-CB 3.82Å; A356-V358 HydrophobicContact CB-CG2 3.99Å; A356-I365 HydrophobicContact CB-CG2 4.28Å; A356-F367 CarbonylContact C-O 3.59Å; A356-F367 WeakPolarHBondContact CA-O 3.42Å; A356-F367 WeakPolarHBondContact CB-O 3.45Å; A356-M368 HydrophobicContact CB-CG 4.47Å
357I95.8Very high94.4Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-99.2120.6166.5-62.7167.1000107.2F167 Y219 L224 L225 M226 I316 L366 F367F167-I357 HydrophobicContact CD1-CD1 3.47Å; F167-I357 VanDerWaalsContact CD1-CD1 3.47Å; F167-I357 HydrophobicContact CE1-CD1 3.39Å; F167-I357 HydrophobicContact CE1-CG1 4.47Å; F167-I357 HydrophobicContact CE2-CG2 4.47Å; F167-I357 HydrophobicContact CG-CD1 4.2Å; F167-I357 HydrophobicContact CZ-CD1 4.03Å; F167-I357 HydrophobicContact CZ-CG2 4.19Å; Y219-I357 HydrophobicContact CE2-CD1 4.44Å; Y219-I357 HydrophobicContact CE2-CG1 4.21Å; Y219-I357 HydrophobicContact CE2-CG2 4.23Å; L224-I357 HydrophobicContact CB-CG2 4.38Å; L225-I357 WeakPolarHBondContact O-CA 3.38Å; M226-I357 HydrophobicContact CB-CG1 4.43Å; M226-I357 HydrophobicContact CG-CG1 4.28Å; I316-I357 HydrophobicContact CD1-CD1 3.5Å; I316-I357 HydrophobicContact CD1-CG1 4.32Å; I316-I357 HydrophobicContact CG1-CD1 4.28Å; I357-L366 PolarHBondContact O-N 2.84Å; I357-F367 HydrophobicContact CB-CB 4.13Å; I357-F367 HydrophobicContact CB-CD2 4.13Å; I357-F367 HydrophobicContact CD1-CB 4.14Å; I357-F367 HydrophobicContact CD1-CD2 3.72Å; I357-F367 HydrophobicContact CD1-CE2 4.46Å; I357-F367 HydrophobicContact CD1-CG 4.15Å; I357-F367 HydrophobicContact CG1-CB 4.3Å; I357-F367 HydrophobicContact CG1-CD2 4.45Å; I357-F367 PolarHBondContact N-O 2.81Å; I357-F367 PolarHBondContact O-N 3.08Å
358V95.1Very high94.3Very high5 Ų521.4 Ų21.43%0.0311%0.107CC..EExtended strand (participates in β ladder)trans-123.4130.7-171.5-174.80000109.9L224 L225 Y227 F253 A356 R360 I364 I365L224-V358 WeakPolarHBondContact CA-O 3.47Å; L225-V358 PolarHBondContact N-O 3.05Å; L225-V358 VanDerWaalsContact N-O 3.09Å; L225-V358 PolarHBondContact O-N 3.19Å; Y227-V358 HydrophobicContact CD2-CB 3.93Å; Y227-V358 HydrophobicContact CD2-CG2 3.75Å; Y227-V358 HydrophobicContact CE2-CB 4Å; Y227-V358 HydrophobicContact CE2-CG2 4.27Å; F253-V358 HydrophobicContact CD2-CG2 3.95Å; F253-V358 HydrophobicContact CE2-CG2 3.73Å; F253-V358 HydrophobicContact CZ-CG2 4.28Å; A356-V358 HydrophobicContact CB-CG2 3.99Å; V358-R360 PolarHBondContact O-N 3.16Å; V358-I364 WeakPolarHBondContact CA-O 3.46Å; V358-I365 HydrophobicContact CG2-CG1 4.34Å
359D91.6Very high94.2Very high4 Ų418.6 Ų18.62%0.0219%0.092CC..EExtended strand (participates in β ladder)trans-77.8105.4162.4177.6-0000108.6S75 F76 L224 S361 N362 R363 I364S75-D359 PolarHBondContact OG-OD2 2.89Å; F76-D359 HydrophobicContact CE1-CB 4.09Å; F76-D359 HydrophobicContact CZ-CB 3.94Å; L224-D359 HydrophobicContact CD2-CB 3.8Å; D359-S361 PolarHBondContact O-N 3.36Å; D359-S361 VanDerWaalsContact OD1-CB 3.31Å; D359-S361 WeakPolarHBondContact OD1-CB 3.17Å; D359-S361 PolarHBondContact OD1-N 2.77Å; D359-S361 PolarHBondContact OD1-OG 3.17Å; D359-N362 PolarHBondContact O-N 3.39Å; D359-N362 PolarHBondContact OD2-ND2 3.32Å; D359-R363 VanDerWaalsContact O-CA 3.22Å; D359-R363 WeakPolarHBondContact O-CA 3.14Å; D359-R363 PolarHBondContact O-N 3.46Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 3.36Å; D359-I364 PolarHBondContact O-N 2.95Å
360R86.6Confident94.1Very high112 Ų11218.6 Ų18.642%0.4239%0.092SC..THydrogen-bonded Turntrans-66.8-27.1-176.7-162.5179.1-173-171.65.8112.3K223 L225 V358K223-R360 PolarHBondContact O-N 2.84Å; K223-R360 VanDerWaalsContact O-N 3.08Å; L225-R360 HydrophobicContact CD1-CB 4.42Å; V358-R360 PolarHBondContact O-N 3.16Å
361S83.8Confident94Very high83 Ų8317.5 Ų17.558%0.589%0.086SC*.THydrogen-bonded Turntrans-68.8-40.9-178.3-450000111.2D359D359-S361 PolarHBondContact O-N 3.36Å; D359-S361 VanDerWaalsContact OD1-CB 3.31Å; D359-S361 WeakPolarHBondContact OD1-CB 3.17Å; D359-S361 PolarHBondContact OD1-N 2.77Å; D359-S361 PolarHBondContact OD1-OG 3.17Å
362N85.3Confident93.9Very high67 Ų6717.5 Ų17.536%0.3589%0.086SC..THydrogen-bonded Turntrans-105.9-2.9-177.1-62.6-64.6000113.5S75 D359 I364S75-N362 WeakPolarHBondContact CB-ND2 3.48Å; D359-N362 PolarHBondContact O-N 3.39Å; D359-N362 PolarHBondContact OD2-ND2 3.32Å; N362-I364 HydrophobicContact CB-CD1 3.68Å; N362-I364 HydrophobicContact CB-CG1 3.82Å; N362-I364 PolarHBondContact O-N 2.85Å
363R90.3Very high93.6Very high68 Ų6817.9 Ų17.926%0.2579%0.09SC..THydrogen-bonded Turntrans52.640.1-173.9-61.2174.678-151.3-4.2112.3D4 D254 D359D4-R363 HydrophobicContact CB-CB 3.53Å; D4-R363 WeakPolarHBondContact OD2-CD 3.42Å; D4-R363 IonicContact OD2-CZ 2.79Å; D4-R363 IonicContact OD2-NE 2.69Å; D4-R363 IonicContact OD2-NH1 3.75Å; D4-R363 PolarHBondContact OD2-NH1 2.95Å; D254-R363 IonicContact OD1-NE 3.07Å; D254-R363 IonicContact OD2-CZ 3.21Å; D254-R363 IonicContact OD2-NE 2.72Å; D254-R363 PolarHBondContact OD2-NE 3.21Å; D254-R363 VanDerWaalsContact OD2-NE 3.12Å; D254-R363 IonicContact OD2-NH2 3.57Å; D254-R363 PolarHBondContact OD2-NH2 2.87Å; D359-R363 VanDerWaalsContact O-CA 3.22Å; D359-R363 WeakPolarHBondContact O-CA 3.14Å; D359-R363 PolarHBondContact O-N 3.46Å
364I91.9Very high92.7Very high1 Ų119.1 Ų19.11%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-100126.8-179.5-64.7174000109.8F30 A72 F76 V358 D359 N362 L366F30-I364 HydrophobicContact CB-CG2 3.81Å; F30-I364 HydrophobicContact CD1-CG2 4.09Å; F30-I364 HydrophobicContact CD2-CG2 3.6Å; F30-I364 HydrophobicContact CE2-CD1 4.21Å; F30-I364 HydrophobicContact CE2-CG2 4.26Å; F30-I364 HydrophobicContact CG-CG2 3.53Å; F30-I364 HydrophobicContact CZ-CD1 4.45Å; A72-I364 HydrophobicContact CB-CD1 3.41Å; A72-I364 VanDerWaalsContact CB-CD1 3.41Å; F76-I364 HydrophobicContact CE2-CB 4.47Å; F76-I364 HydrophobicContact CE2-CD1 4.11Å; F76-I364 HydrophobicContact CE2-CG2 3.99Å; F76-I364 HydrophobicContact CZ-CB 4.19Å; F76-I364 HydrophobicContact CZ-CG2 3.9Å; V358-I364 WeakPolarHBondContact CA-O 3.46Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 3.36Å; D359-I364 PolarHBondContact O-N 2.95Å; N362-I364 HydrophobicContact CB-CD1 3.68Å; N362-I364 HydrophobicContact CB-CG1 3.82Å; N362-I364 PolarHBondContact O-N 2.85Å; I364-L366 PolarHBondContact O-N 3.2Å
365I94.8Very high91.1Very high3 Ų323.5 Ų23.52%0.01513%0.127CC..EExtended strand (participates in β ladder)trans-82.1101.5172.5-56.7177.5000108.3A8 A11 P29 L249 F253 A356 V358 F367 M368A8-I365 HydrophobicContact CB-CD1 3.88Å; A11-I365 HydrophobicContact CB-CD1 4.46Å; P29-I365 HydrophobicContact CG-CG2 4.16Å; L249-I365 HydrophobicContact CD2-CD1 3.61Å; L249-I365 HydrophobicContact CG-CD1 4.4Å; F253-I365 HydrophobicContact CE2-CD1 4.24Å; F253-I365 HydrophobicContact CE2-CG1 4.42Å; A356-I365 HydrophobicContact CB-CG2 4.28Å; V358-I365 HydrophobicContact CG2-CG1 4.34Å; I365-F367 WeakPolarHBondContact CG2-O 3.31Å; I365-M368 HydrophobicContact CD1-SD 4.48Å; I365-M368 HydrophobicContact CG2-CB 3.8Å; I365-M368 HydrophobicContact CG2-CG 4.42Å; I365-M368 HydrophobicContact CG2-SD 4.39Å
366L93.1Very high89Confident0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-76.6-44.1-179.9-175.264.2000111.2S28 F30 F76 L87 I165 F167 I357 I364S28-L366 WeakPolarHBondContact CA-O 3.46Å; S28-L366 WeakPolarHBondContact CB-O 3.25Å; S28-L366 PolarHBondContact OG-O 2.7Å; F30-L366 HydrophobicContact CD1-CD1 4.29Å; F76-L366 HydrophobicContact CD1-CD1 4.18Å; F76-L366 HydrophobicContact CD1-CD2 4.13Å; F76-L366 HydrophobicContact CE1-CB 4.33Å; F76-L366 HydrophobicContact CE1-CD1 3.99Å; F76-L366 HydrophobicContact CE1-CD2 3.94Å; F76-L366 HydrophobicContact CE1-CG 4.3Å; F76-L366 HydrophobicContact CE2-CD1 4.44Å; F76-L366 HydrophobicContact CZ-CB 4.46Å; F76-L366 HydrophobicContact CZ-CD1 4.12Å; L87-L366 HydrophobicContact CD1-CD2 4.29Å; L87-L366 HydrophobicContact CD2-CD2 4.22Å; I165-L366 HydrophobicContact CD1-CD1 3.83Å; I165-L366 HydrophobicContact CD1-CG 4.26Å; F167-L366 HydrophobicContact CD2-CD2 4.35Å; I357-L366 PolarHBondContact O-N 2.84Å; I364-L366 PolarHBondContact O-N 3.2Å
367F95.2Very high86.2Confident0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-129.8146.4173.3-67.7-93.1000109.7F26 I27 I165 F167 A314 A356 I357 I365F26-F367 AromaticContact CD2-CD1 3.84Å; F26-F367 HydrophobicContact CD2-CD1 3.84Å; F26-F367 AromaticContact CE2-CD1 3.79Å; F26-F367 HydrophobicContact CE2-CD1 3.79Å; F26-F367 HydrophobicContact CE2-CE1 4.01Å; I27-F367 WeakPolarHBondContact O-CA 3.32Å; I165-F367 HydrophobicContact CB-CZ 4.45Å; I165-F367 HydrophobicContact CD1-CE1 4.37Å; I165-F367 HydrophobicContact CD1-CE2 3.89Å; I165-F367 HydrophobicContact CD1-CZ 3.6Å; I165-F367 HydrophobicContact CG1-CE1 4.47Å; I165-F367 HydrophobicContact CG1-CE2 4.4Å; I165-F367 HydrophobicContact CG1-CZ 3.72Å; I165-F367 HydrophobicContact CG2-CE1 3.89Å; I165-F367 HydrophobicContact CG2-CZ 4.01Å; F167-F367 HydrophobicContact CB-CD2 4.32Å; F167-F367 HydrophobicContact CB-CE1 4.49Å; F167-F367 HydrophobicContact CB-CE2 3.31Å; F167-F367 HydrophobicContact CB-CZ 3.4Å; F167-F367 HydrophobicContact CD2-CE2 4.18Å; F167-F367 HydrophobicContact CG-CD2 4.47Å; F167-F367 AromaticContact CG-CE2 3.78Å; F167-F367 HydrophobicContact CG-CE2 3.78Å; F167-F367 HydrophobicContact CG-CZ 4.35Å; A314-F367 HydrophobicContact CB-CE1 4.16Å; A356-F367 CarbonylContact C-O 3.59Å; A356-F367 WeakPolarHBondContact CA-O 3.42Å; A356-F367 WeakPolarHBondContact CB-O 3.45Å; I357-F367 HydrophobicContact CB-CB 4.13Å; I357-F367 HydrophobicContact CB-CD2 4.13Å; I357-F367 HydrophobicContact CD1-CB 4.14Å; I357-F367 HydrophobicContact CD1-CD2 3.72Å; I357-F367 HydrophobicContact CD1-CE2 4.46Å; I357-F367 HydrophobicContact CD1-CG 4.15Å; I357-F367 HydrophobicContact CG1-CB 4.3Å; I357-F367 HydrophobicContact CG1-CD2 4.45Å; I357-F367 PolarHBondContact N-O 2.81Å; I357-F367 PolarHBondContact O-N 3.08Å; I365-F367 WeakPolarHBondContact CG2-O 3.31Å
368M96.8Very high85.7Confident0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-147.4137.9174-166.8171.571.900110.2A11 L12 Y15 F26 I27 P29 L249 L354 F355 A356 I365A11-M368 VanDerWaalsContact C-CE 3.43Å; A11-M368 HydrophobicContact CB-CE 3.92Å; A11-M368 HydrophobicContact CB-SD 4.36Å; A11-M368 WeakPolarHBondContact O-CE 3.41Å; L12-M368 HydrophobicContact CD2-CE 4.25Å; L12-M368 HydrophobicContact CD2-SD 4.43Å; Y15-M368 VanDerWaalsContact CB-CE 3.42Å; Y15-M368 HydrophobicContact CD2-CE 4.18Å; Y15-M368 HydrophobicContact CG-CE 3.93Å; F26-M368 CarbonylContact C-O 3.57Å; F26-M368 VanDerWaalsContact CA-O 3.27Å; F26-M368 WeakPolarHBondContact CA-O 3.34Å; F26-M368 WeakPolarHBondContact CB-O 3.48Å; I27-M368 PolarHBondContact N-O 3.06Å; I27-M368 PolarHBondContact O-N 3.36Å; P29-M368 HydrophobicContact CG-CB 4.46Å; L249-M368 HydrophobicContact CD2-SD 3.96Å; L354-M368 HydrophobicContact CD1-CG 3.92Å; L354-M368 HydrophobicContact CD1-SD 4.48Å; F355-M368 WeakPolarHBondContact O-CA 3.32Å; A356-M368 HydrophobicContact CB-CG 4.47Å; I365-M368 HydrophobicContact CD1-SD 4.48Å; I365-M368 HydrophobicContact CG2-CB 3.8Å; I365-M368 HydrophobicContact CG2-CG 4.42Å; I365-M368 HydrophobicContact CG2-SD 4.39Å
369G95.8Very high85.2Confident0 Ų035.8 Ų35.80%020%0.202CC..EExtended strand (participates in β ladder)trans-171.5179.1-178.700000112.9F25 L354 F355F25-G369 CarbonylContact O-C 3.55Å; F25-G369 WeakPolarHBondContact O-CA 3.45Å; L354-G369 CarbonylContact C-O 3.57Å; L354-G369 WeakPolarHBondContact CA-O 3.37Å; L354-G369 VanDerWaalsContact CD1-O 3.29Å; L354-G369 WeakPolarHBondContact CD1-O 3.49Å; F355-G369 WeakPolarHBondContact CD1-O 3.44Å; F355-G369 PolarHBondContact N-O 2.88Å; F355-G369 PolarHBondContact O-N 2.7Å; F355-G369 VanDerWaalsContact O-O 3.09Å
370N96Very high84.9Confident0 Ų037.6 Ų37.60%021%0.212CC..EExtended strand (participates in β ladder)trans-124.815217555.6-90.2000110.1Y15 H23 S24 F25 L237 F353 Y372Y15-N370 WeakPolarHBondContact CE2-OD1 3.48Å; Y15-N370 VanDerWaalsContact OH-CG 3.31Å; Y15-N370 PolarHBondContact OH-OD1 2.97Å; H23-N370 PolarHBondContact O-ND2 3.22Å; S24-N370 CarbonylContact C-O 3.57Å; S24-N370 WeakPolarHBondContact CA-O 3.34Å; F25-N370 PolarHBondContact N-ND2 2.89Å; F25-N370 PolarHBondContact N-O 3.12Å; F25-N370 PolarHBondContact O-N 2.86Å; L237-N370 HydrophobicContact CD2-CB 3.76Å; F353-N370 VanDerWaalsContact O-CA 3.24Å; F353-N370 WeakPolarHBondContact O-CA 3.21Å; N370-Y372 HydrophobicContact CB-CE2 4.26Å; N370-Y372 WeakPolarHBondContact ND2-CD2 3.5Å; N370-Y372 WeakPolarHBondContact ND2-CE2 3.41Å
371Y95.8Very high84.8Confident10 Ų1033.2 Ų33.24%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-117.9127.3175.8-177-107.1000110S24 F185 P266 F268 P352 F353 G373S24-Y371 WeakPolarHBondContact OG-CD2 3.2Å; F185-Y371 HydrophobicContact CD2-CE1 4.09Å; F185-Y371 HydrophobicContact CE1-CD1 4.49Å; F185-Y371 AromaticContact CE2-CD1 3.69Å; F185-Y371 HydrophobicContact CE2-CD1 3.69Å; F185-Y371 AromaticContact CE2-CE1 3.71Å; F185-Y371 HydrophobicContact CE2-CE1 3.71Å; F185-Y371 AromaticContact CZ-CD1 3.66Å; F185-Y371 HydrophobicContact CZ-CD1 3.66Å; F185-Y371 AromaticContact CZ-CE1 3.93Å; F185-Y371 HydrophobicContact CZ-CE1 3.93Å; P266-Y371 HydrophobicContact CB-CD1 4.39Å; P266-Y371 HydrophobicContact CB-CE1 3.63Å; P266-Y371 HydrophobicContact CG-CD1 4.25Å; P266-Y371 HydrophobicContact CG-CE1 3.76Å; F268-Y371 HydrophobicContact CB-CD2 4.05Å; F268-Y371 HydrophobicContact CB-CE2 3.44Å; F268-Y371 VanDerWaalsContact CB-CE2 3.44Å; F268-Y371 HydrophobicContact CD1-CD2 4.09Å; F268-Y371 HydrophobicContact CD1-CE2 4.14Å; F268-Y371 HydrophobicContact CD1-CG 4.37Å; F268-Y371 HydrophobicContact CD2-CD2 4.34Å; F268-Y371 AromaticContact CG-CD2 3.92Å; F268-Y371 HydrophobicContact CG-CD2 3.92Å; F268-Y371 AromaticContact CG-CE2 3.83Å; F268-Y371 HydrophobicContact CG-CE2 3.83Å; P352-Y371 VanDerWaalsContact CA-O 3.24Å; P352-Y371 WeakPolarHBondContact CA-O 3.25Å; F353-Y371 HydrophobicContact CD1-CD1 4.45Å; F353-Y371 AromaticContact CE1-CD1 3.52Å; F353-Y371 HydrophobicContact CE1-CD1 3.52Å; F353-Y371 HydrophobicContact CE1-CE1 4.44Å; F353-Y371 HydrophobicContact CE1-CG 4.15Å; F353-Y371 HydrophobicContact CE2-CG 4.47Å; F353-Y371 AromaticContact CZ-CD1 3.61Å; F353-Y371 HydrophobicContact CZ-CD1 3.61Å; F353-Y371 AromaticContact CZ-CG 3.84Å; F353-Y371 HydrophobicContact CZ-CG 3.84Å; F353-Y371 PolarHBondContact N-O 3.43Å; F353-Y371 PolarHBondContact O-N 3.04Å; Y371-G373 VanDerWaalsContact CE1-CA 3.46Å; Y371-G373 WeakPolarHBondContact OH-CA 3.18Å
372Y95.3Very high84.8Confident11 Ų1130.1 Ų30.14%0.04318%0.176CC..  trans-11825176.8-80.4-92.6000111.5N22 H23 S24 V187 L237 P352 N370 N374N22-Y372 HydrophobicContact CB-CD1 4.33Å; N22-Y372 HydrophobicContact CB-CE1 4.22Å; H23-Y372 WeakPolarHBondContact O-CD2 3.22Å; S24-Y372 PolarHBondContact OG-N 2.96Å; V187-Y372 VanDerWaalsContact CG1-O 3.28Å; V187-Y372 WeakPolarHBondContact CG1-O 3.26Å; V187-Y372 WeakPolarHBondContact CG2-O 3.27Å; V187-Y372 WeakPolarHBondContact O-CD1 3.21Å; L237-Y372 HydrophobicContact CD2-CE2 3.83Å; P352-Y372 HydrophobicContact CB-CD1 3.65Å; P352-Y372 HydrophobicContact CB-CE1 3.54Å; P352-Y372 HydrophobicContact CB-CE2 4.45Å; P352-Y372 HydrophobicContact CB-CG 4.15Å; P352-Y372 HydrophobicContact CG-CD1 3.24Å; P352-Y372 HydrophobicContact CG-CE1 3.42Å; P352-Y372 VanDerWaalsContact CG-CE1 3.42Å; P352-Y372 HydrophobicContact CG-CG 4.03Å; N370-Y372 HydrophobicContact CB-CE2 4.26Å; N370-Y372 WeakPolarHBondContact ND2-CD2 3.5Å; N370-Y372 WeakPolarHBondContact ND2-CE2 3.41Å; Y372-N374 PolarHBondContact O-N 3.07Å
373G91.3Very high84.8Confident10 Ų1027.6 Ų27.610%0.10316%0.164CC..SBendtrans78.1-14.3177.500000115.2F185 Y371F185-G373 VanDerWaalsContact CE1-N 3.34Å; Y371-G373 VanDerWaalsContact CE1-CA 3.46Å; Y371-G373 WeakPolarHBondContact OH-CA 3.18Å
374N79.6Confident84.4Confident25 Ų2524.7 Ų24.713%0.13416%0.157CC..SBendtrans-91.7147.4171.352.72.7000111.4H23 S24 Y372H23-N374 PolarHBondContact ND1-ND2 3.22Å; S24-N374 VanDerWaalsContact CB-O 3.22Å; S24-N374 WeakPolarHBondContact CB-O 3.49Å; S24-N374 WeakPolarHBondContact CB-OD1 2.88Å; S24-N374 PolarHBondContact N-OD1 3.45Å; S24-N374 PolarHBondContact OG-O 2.94Å; S24-N374 PolarHBondContact OG-OD1 3.19Å; Y372-N374 PolarHBondContact O-N 3.07Å
375S63.9Low83.8Confident94 Ų9426.5 Ų26.566%0.65717%0.169SC*.PPolyproline II helixtrans-61.6144.7159.4-54.60000108.8
376A52.3Low82.9Confident16 Ų1628.5 Ų28.513%0.13218%0.181CC..PPolyproline II helixtrans-50.6145.3164.100000110.5L270 E271 Y272L270-A376 HydrophobicContact CB-CB 4.11Å; L270-A376 HydrophobicContact CD2-CB 3.81Å; L270-A376 VanDerWaalsContact CD2-N 3.29Å; E271-A376 WeakPolarHBondContact O-CB 3.48Å; Y272-A376 HydrophobicContact CD2-CB 3.49Å; Y272-A376 VanDerWaalsContact CD2-CB 3.49Å; Y272-A376 HydrophobicContact CE2-CB 3.04Å; Y272-A376 HydrophobicContact CG-CB 4.41Å
377V40.2Very low82Confident176 Ų17631.1 Ų31.1100%1.06720%0.198SC*.  trans-77.50173.2179.70000110

Retrieved 377 of 377 residues in 1162.2 ms (Link to these results)

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