A0A077ZBR0_TRITR Loading...

L-lysine 2,3-aminomutase

AlphaFold DB , UniProt , Accession A0A077ZBR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 600 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
1M42.7Very low41.8Very low228 Ų228138.8 Ų138.8100%1.12380%0.797SS**  0122.50-67.1-178.6-168.100106.9H3M1-H3 PolarHBondContact O-N 3.08Å
2A36.8Very low43.8Very low94 Ų94140.1 Ų140.178%0.77778%0.779SS**  trans-65.8116.7177.100000108.3I4A2-I4 VanDerWaalsContact C-N 3.28Å; A2-I4 PolarHBondContact O-N 3.02Å
3H38.3Very low46.7Very low178 Ų178135.2 Ų135.282%0.82475%0.747SS**  trans-69.292170.4-76.4-82.7000107.6M1 V5M1-H3 PolarHBondContact O-N 3.08Å; H3-V5 VanDerWaalsContact C-N 3.27Å; H3-V5 PolarHBondContact O-N 3.14Å
4I44.7Very low49.9Very low144 Ų144132.1 Ų132.174%0.73873%0.729SS**  trans-68.595.3165.8-63.5170.7000105.4A2 T6A2-I4 VanDerWaalsContact C-N 3.28Å; A2-I4 PolarHBondContact O-N 3.02Å; I4-T6 VanDerWaalsContact C-N 3.31Å; I4-T6 PolarHBondContact O-N 3.24Å; I4-T6 VanDerWaalsContact O-N 3.12Å
5V41.8Very low52.9Low121 Ų121123.5 Ų123.573%0.73368%0.681SS**  trans-74.994.9165.3-179.70000105.4H3 L7H3-V5 VanDerWaalsContact C-N 3.27Å; H3-V5 PolarHBondContact O-N 3.14Å; V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 3.37Å
6T35.3Very low55.5Low112 Ų112117.9 Ų117.969%0.68765%0.649SS**  trans-63.299.5167.2-14.50000106.4I4 N8I4-T6 VanDerWaalsContact C-N 3.31Å; I4-T6 PolarHBondContact O-N 3.24Å; I4-T6 VanDerWaalsContact O-N 3.12Å; T6-N8 PolarHBondContact O-N 2.99Å
7L37.6Very low57.9Low151 Ų151115.3 Ų115.379%0.79164%0.638SS**  trans-58.795.7160.5-86.5152.2000105.8V5 T9V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 3.37Å; L7-T9 PolarHBondContact O-N 3.41Å
8N38Very low60Low148 Ų148111.7 Ų111.779%0.79162%0.616SS**  trans-65.281.6162.6-107.6-4.2000105.7T6 P10T6-N8 PolarHBondContact O-N 2.99Å; N8-P10 WeakPolarHBondContact O-CD 3.44Å; N8-P10 VanDerWaalsContact O-N 3.12Å
9T42.8Very low61.9Low114 Ų114107.1 Ų107.170%0.69959%0.59SS**  trans-52.5117.6156.6-36.70000104.4L7 S11L7-T9 PolarHBondContact O-N 3.41Å; T9-S11 PolarHBondContact O-N 3.18Å
10P47.5Very low63.6Low107 Ų107105.4 Ų105.470%0.69559%0.59SS**  trans-56.1109179.6-17.428.2000105.9N8 R12N8-P10 WeakPolarHBondContact O-CD 3.44Å; N8-P10 VanDerWaalsContact O-N 3.12Å; P10-R12 PolarHBondContact O-N 3.04Å
11S54.5Low65.1Low130 Ų130104.2 Ų104.291%0.90958%0.583SS**SBendtrans-69.2-0.5-168.763.80000112.3T9T9-S11 PolarHBondContact O-N 3.18Å
12R65.6Low67.7Low154 Ų15494.1 Ų94.158%0.58153%0.534SS*.SBendtrans-151.7137.7173.4-136174.2-179.3177.5-2.1109.2P10 D14 L16P10-R12 PolarHBondContact O-N 3.04Å; R12-D14 PolarHBondContact O-N 3.33Å; R12-L16 HydrophobicContact CG-CB 4.32Å; R12-L16 HydrophobicContact CG-CD1 4.3Å
13E81.5Confident70.6Confident76 Ų7689.7 Ų89.736%0.35550%0.497SS..  trans-56.1134173-63174.8162.400110.1W15 L16 T17E13-W15 VanDerWaalsContact C-N 3.27Å; E13-W15 PolarHBondContact O-N 3.15Å; E13-W15 PolarHBondContact OE2-NE1 2.59Å; E13-L16 HydrophobicContact CB-CD1 4.19Å; E13-L16 HydrophobicContact CB-CG 4.38Å; E13-L16 WeakPolarHBondContact O-CB 3.37Å; E13-L16 PolarHBondContact O-N 3.26Å; E13-T17 PolarHBondContact O-N 3.29Å
14D91Very high73.5Confident93 Ų9384.7 Ų84.750%0.49748%0.479SS..Hα-helixtrans-51.6-43.5-173.6175.834.1000112.9R12 L16 T17 Q18 A203R12-D14 PolarHBondContact O-N 3.33Å; D14-L16 PolarHBondContact O-N 3.43Å; D14-T17 WeakPolarHBondContact O-CA 3.32Å; D14-T17 WeakPolarHBondContact O-CB 3.36Å; D14-T17 PolarHBondContact O-N 3.39Å; D14-Q18 PolarHBondContact O-N 3.27Å; D14-Q18 PolarHBondContact OD1-NE2 2.68Å; D14-Q18 PolarHBondContact OD2-NE2 3.38Å; D14-A203 HydrophobicContact CB-CB 4.5Å; D14-A203 WeakPolarHBondContact OD2-CB 3.49Å
15W95.3Very high76Confident2 Ų280.3 Ų80.31%0.00846%0.457CS..Hα-helixtrans-62.1-28.8179.578.7-90.5000113.7E13 T17 L19 L197 I201 A203 R204E13-W15 VanDerWaalsContact C-N 3.27Å; E13-W15 PolarHBondContact O-N 3.15Å; E13-W15 PolarHBondContact OE2-NE1 2.59Å; W15-T17 VanDerWaalsContact C-N 3.34Å; W15-L19 HydrophobicContact CE3-CB 4.48Å; W15-L19 HydrophobicContact CE3-CD2 4.23Å; W15-L19 HydrophobicContact CZ3-CD2 3.7Å; W15-L19 WeakPolarHBondContact O-CB 3.22Å; W15-L19 PolarHBondContact O-N 3.45Å; W15-L197 HydrophobicContact CZ3-CD2 4.43Å; W15-I201 HydrophobicContact CB-CG2 3.85Å; W15-A203 HydrophobicContact CB-CB 4.04Å; W15-R204 HydrophobicContact CB-CB 4.26Å; W15-R204 VanDerWaalsContact CD2-CD 3.43Å; W15-R204 HydrophobicContact CG-CB 4.38Å
16L95.2Very high78.6Confident34 Ų3474.6 Ų74.618%0.17842%0.423CS..Hα-helixtrans-71.8-32.8175-69.4172.6000111.5R12 E13 D14 A20R12-L16 HydrophobicContact CG-CB 4.32Å; R12-L16 HydrophobicContact CG-CD1 4.3Å; E13-L16 HydrophobicContact CB-CD1 4.19Å; E13-L16 HydrophobicContact CB-CG 4.38Å; E13-L16 WeakPolarHBondContact O-CB 3.37Å; E13-L16 PolarHBondContact O-N 3.26Å; D14-L16 PolarHBondContact O-N 3.43Å; L16-A20 WeakPolarHBondContact O-CB 3.13Å; L16-A20 PolarHBondContact O-N 2.93Å; L16-A20 VanDerWaalsContact O-N 3.08Å
17T95.3Very high81.5Confident74 Ų7471.7 Ų71.745%0.45440%0.403SS..Hα-helixtrans-68.8-47.2173.8-550000109.9E13 D14 W15 L19 A20 D21E13-T17 PolarHBondContact O-N 3.29Å; D14-T17 WeakPolarHBondContact O-CA 3.32Å; D14-T17 WeakPolarHBondContact O-CB 3.36Å; D14-T17 PolarHBondContact O-N 3.39Å; W15-T17 VanDerWaalsContact C-N 3.34Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 3.09Å; T17-A20 PolarHBondContact O-N 2.71Å; T17-A20 VanDerWaalsContact O-N 3.13Å; T17-D21 PolarHBondContact O-N 2.71Å
18Q95.6Very high84.4Confident51 Ų5166.8 Ų66.824%0.23838%0.376CS..Hα-helixtrans-62.4-36.6175.2-64.4-175.134.500112.6D14 A20 D21 I201D14-Q18 PolarHBondContact O-N 3.27Å; D14-Q18 PolarHBondContact OD1-NE2 2.68Å; D14-Q18 PolarHBondContact OD2-NE2 3.38Å; Q18-A20 VanDerWaalsContact C-N 3.31Å; Q18-A20 PolarHBondContact O-N 2.73Å; Q18-D21 CarbonylContact O-C 3.42Å; Q18-D21 PolarHBondContact O-N 2.99Å; Q18-I201 HydrophobicContact CB-CD1 4.2Å; Q18-I201 HydrophobicContact CB-CG1 4.47Å; Q18-I201 HydrophobicContact CB-CG2 3.95Å
19L96Very high87.3Confident24 Ų2459.7 Ų59.713%0.12634%0.338CS..Hα-helixtrans-68.2-30.5175.917962.8000112.8W15 T17 V22 A121 M169 I201W15-L19 HydrophobicContact CE3-CB 4.48Å; W15-L19 HydrophobicContact CE3-CD2 4.23Å; W15-L19 HydrophobicContact CZ3-CD2 3.7Å; W15-L19 WeakPolarHBondContact O-CB 3.22Å; W15-L19 PolarHBondContact O-N 3.45Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 3.09Å; L19-V22 WeakPolarHBondContact O-CG1 3.09Å; L19-A121 HydrophobicContact CD1-CB 3.59Å; L19-M169 HydrophobicContact CD1-CE 3.88Å; L19-M169 HydrophobicContact CD1-SD 3.82Å; L19-M169 HydrophobicContact CD2-CE 3.53Å; L19-M169 HydrophobicContact CD2-SD 3.87Å; L19-M169 HydrophobicContact CG-CE 4.3Å; L19-I201 HydrophobicContact CB-CD1 4.11Å; L19-I201 HydrophobicContact CD1-CD1 4.34Å
20A95.5Very high89.9Confident72 Ų7254.3 Ų54.360%0.59531%0.305SS*.Hα-helixtrans-75.8-32.7175.300000112.1L16 T17 Q18 V22L16-A20 WeakPolarHBondContact O-CB 3.13Å; L16-A20 PolarHBondContact O-N 2.93Å; L16-A20 VanDerWaalsContact O-N 3.08Å; T17-A20 PolarHBondContact O-N 2.71Å; T17-A20 VanDerWaalsContact O-N 3.13Å; Q18-A20 VanDerWaalsContact C-N 3.31Å; Q18-A20 PolarHBondContact O-N 2.73Å; A20-V22 VanDerWaalsContact C-N 3.31Å; A20-V22 PolarHBondContact O-N 3.17Å
21D95.8Very high92.3Very high81 Ų8156.1 Ų56.143%0.43330%0.298SS..SBendtrans-92.741.6179.9-172.229.7000112.8T17 Q18 R57T17-D21 PolarHBondContact O-N 2.71Å; Q18-D21 CarbonylContact O-C 3.42Å; Q18-D21 PolarHBondContact O-N 2.99Å; D21-R57 VanDerWaalsContact CG-NE 3.29Å; D21-R57 IonicContact OD1-CZ 3.69Å; D21-R57 IonicContact OD1-NE 2.76Å; D21-R57 PolarHBondContact OD1-NE 3.39Å; D21-R57 IonicContact OD1-NH2 2.72Å; D21-R57 WeakPolarHBondContact OD2-CD 3.47Å; D21-R57 IonicContact OD2-NE 2.93Å; D21-R57 PolarHBondContact OD2-NE 3.19Å
22V97.6Very high94.4Very high16 Ų1652.7 Ų52.710%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-82.8139.6172.8-62.10000110.6L19 A20 T24 P56L19-V22 WeakPolarHBondContact O-CG1 3.09Å; A20-V22 VanDerWaalsContact C-N 3.31Å; A20-V22 PolarHBondContact O-N 3.17Å; V22-T24 HydrophobicContact CG2-CG2 4.06Å; V22-T24 PolarHBondContact O-N 2.86Å; V22-P56 HydrophobicContact CG1-CB 4.28Å; V22-P56 HydrophobicContact CG1-CG 3.98Å
23V98.4Very high95.9Very high1 Ų145.5 Ų45.51%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-71.2129.6171.8177.20000108.5E28 L29 L32 L53 R54 V55 R57 I60V23-E28 HydrophobicContact CG1-CB 4.05Å; V23-E28 HydrophobicContact CG1-CG 4.13Å; V23-L29 HydrophobicContact CG1-CB 4.12Å; V23-L32 HydrophobicContact CG2-CD1 3.84Å; V23-L53 HydrophobicContact CG1-CD2 4.25Å; V23-L53 WeakPolarHBondContact O-CD2 3.34Å; V23-R54 CarbonylContact O-C 3.5Å; V23-R54 WeakPolarHBondContact O-CA 3.39Å; V23-V55 PolarHBondContact N-O 2.84Å; V23-V55 PolarHBondContact O-N 2.94Å; V23-R57 HydrophobicContact CG2-CG 4.47Å; V23-I60 HydrophobicContact CB-CD1 3.9Å; V23-I60 HydrophobicContact CG2-CD1 3.48Å; V23-I60 VanDerWaalsContact CG2-CD1 3.48Å
24T97.8Very high96.7Very high74 Ų7447.1 Ų47.145%0.45425%0.253SS..  trans-121.7-6-179.759.50000113.7V22 L53 R54V22-T24 HydrophobicContact CG2-CG2 4.06Å; V22-T24 PolarHBondContact O-N 2.86Å; T24-L53 WeakPolarHBondContact CA-O 3.44Å; T24-R54 HydrophobicContact CG2-CG 4.42Å
25D97.4Very high97Very high52 Ų5243.3 Ų43.328%0.27823%0.233SC..  trans-108122.1178-167.427.8000111.3D27 E28 L29 K48D25-D27 PolarHBondContact O-N 3.34Å; D25-E28 HydrophobicContact CB-CB 4.15Å; D25-E28 PolarHBondContact O-N 3.33Å; D25-E28 VanDerWaalsContact O-N 3.15Å; D25-L29 PolarHBondContact O-N 3.43Å; D25-L29 VanDerWaalsContact O-N 3.16Å; D25-K48 IonicContact OD1-NZ 3.18Å; D25-K48 PolarHBondContact OD1-NZ 3.33Å
26P97.3Very high97Very high1 Ų147 Ų471%0.00625%0.253CS..Hα-helixtrans-55.1-38.2176.5-25.433000113.3E28 L29 L30 R45 K48 L53 L77 T78P26-E28 VanDerWaalsContact C-N 3.32Å; P26-E28 PolarHBondContact O-N 3Å; P26-L29 WeakPolarHBondContact O-CB 3.43Å; P26-L29 PolarHBondContact O-N 3.49Å; P26-L30 WeakPolarHBondContact O-CG 3.38Å; P26-L30 PolarHBondContact O-N 3.34Å; P26-R45 HydrophobicContact CB-CB 4.24Å; P26-R45 HydrophobicContact CG-CB 4.47Å; P26-K48 HydrophobicContact CG-CB 4.32Å; P26-K48 HydrophobicContact CG-CD 3.96Å; P26-L53 HydrophobicContact CB-CD1 4.31Å; P26-L53 HydrophobicContact CG-CB 4.4Å; P26-L53 HydrophobicContact CG-CD1 4.04Å; P26-L77 HydrophobicContact CB-CD1 4.35Å; P26-T78 HydrophobicContact CG-CG2 4.23Å; P26-T78 WeakPolarHBondContact CG-OG1 3.19Å
27D96.9Very high96.9Very high50 Ų5049.7 Ų49.727%0.26728%0.28SS..Hα-helixtrans-69.2-30.9-178.6-61.3-19.4000111.5D25 R31D25-D27 PolarHBondContact O-N 3.34Å; D27-R31 WeakPolarHBondContact O-CG 3.42Å; D27-R31 PolarHBondContact O-N 3.49Å; D27-R31 PolarHBondContact O-NE 3.49Å
28E97.8Very high96.9Very high48 Ų4848.6 Ų48.622%0.22427%0.271CS..Hα-helixtrans-67.1-45.5169.8-176.3-174.3176.600111.3V23 D25 P26 L30 R31 L32 R57V23-E28 HydrophobicContact CG1-CB 4.05Å; V23-E28 HydrophobicContact CG1-CG 4.13Å; D25-E28 HydrophobicContact CB-CB 4.15Å; D25-E28 PolarHBondContact O-N 3.33Å; D25-E28 VanDerWaalsContact O-N 3.15Å; P26-E28 VanDerWaalsContact C-N 3.32Å; P26-E28 PolarHBondContact O-N 3Å; E28-L30 PolarHBondContact O-N 3.12Å; E28-R31 PolarHBondContact O-N 2.87Å; E28-L32 HydrophobicContact CG-CD1 4.11Å; E28-L32 HydrophobicContact CG-CG 4.42Å; E28-L32 WeakPolarHBondContact O-CG 3.32Å; E28-L32 PolarHBondContact O-N 3.17Å; E28-R57 IonicContact OE1-CZ 3.03Å; E28-R57 IonicContact OE1-NH1 3.52Å; E28-R57 IonicContact OE1-NH2 2.82Å; E28-R57 PolarHBondContact OE1-NH2 3.46Å
29L98.1Very high96.9Very high0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-58.6-46.4178.8178.258.8000111.7V23 D25 P26 R31 L32 L33 L53 V55 I60 L73 V76 L77V23-L29 HydrophobicContact CG1-CB 4.12Å; D25-L29 PolarHBondContact O-N 3.43Å; D25-L29 VanDerWaalsContact O-N 3.16Å; P26-L29 WeakPolarHBondContact O-CB 3.43Å; P26-L29 PolarHBondContact O-N 3.49Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 2.81Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-L33 HydrophobicContact CD1-CD1 3.89Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.25Å; L29-L33 WeakPolarHBondContact O-CG 3.39Å; L29-L33 PolarHBondContact O-N 2.89Å; L29-L53 HydrophobicContact CD2-CD1 3.99Å; L29-V55 HydrophobicContact CD2-CG2 4.18Å; L29-I60 HydrophobicContact CD1-CD1 3.66Å; L29-I60 HydrophobicContact CD1-CG1 3.67Å; L29-I60 HydrophobicContact CD1-CG2 4.08Å; L29-L73 HydrophobicContact CD2-CD1 3.97Å; L29-L73 HydrophobicContact CG-CD1 4.22Å; L29-V76 HydrophobicContact CD2-CG2 4.38Å; L29-L77 HydrophobicContact CD2-CB 4.5Å; L29-L77 HydrophobicContact CD2-CD1 4.03Å
30L97.9Very high96.8Very high1 Ų160.6 Ų60.61%0.00532%0.324CS..Hα-helixtrans-62-40.6179.1-66.2173.6000112.3P26 E28 L33 N34 I35 D36 L41 L42 L77P26-L30 WeakPolarHBondContact O-CG 3.38Å; P26-L30 PolarHBondContact O-N 3.34Å; E28-L30 PolarHBondContact O-N 3.12Å; L30-L33 CarbonylContact O-C 3.41Å; L30-L33 PolarHBondContact O-N 2.84Å; L30-N34 PolarHBondContact O-N 3.26Å; L30-N34 VanDerWaalsContact O-N 3.13Å; L30-I35 HydrophobicContact CB-CG1 4.43Å; L30-I35 HydrophobicContact CD2-CD1 3.89Å; L30-I35 HydrophobicContact CD2-CG1 3.85Å; L30-I35 PolarHBondContact O-N 3.18Å; L30-D36 HydrophobicContact CB-CB 4.06Å; L30-L41 HydrophobicContact CD1-CB 4.46Å; L30-L41 HydrophobicContact CD2-CB 3.98Å; L30-L41 HydrophobicContact CD2-CD1 3.84Å; L30-L42 HydrophobicContact CD1-CD2 3.76Å; L30-L42 HydrophobicContact CD1-CG 4.3Å; L30-L77 HydrophobicContact CD2-CD1 4.11Å; L30-L77 HydrophobicContact CD2-CD2 3.83Å; L30-L77 HydrophobicContact CG-CD1 4.37Å
31R97.9Very high96.7Very high145 Ų14558.6 Ų58.655%0.54730%0.304SS..Hα-helixtrans-66.1-40.8175.9-74.2-175.1-55.5113.8-0.2112.6D27 E28 L29 L33 N34 D36D27-R31 WeakPolarHBondContact O-CG 3.42Å; D27-R31 PolarHBondContact O-N 3.49Å; D27-R31 PolarHBondContact O-NE 3.49Å; E28-R31 PolarHBondContact O-N 2.87Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 2.81Å; R31-L33 PolarHBondContact O-N 3.36Å; R31-N34 PolarHBondContact O-N 3.12Å; R31-N34 PolarHBondContact O-OD1 2.97Å; R31-D36 HydrophobicContact CG-CB 3.79Å
32L98Very high96.7Very high58 Ų5857.1 Ų57.130%0.30430%0.295SS..Hα-helixtrans-61.1-26.4177.4-72.5170.9000112.4V23 E28 L29 I60V23-L32 HydrophobicContact CG2-CD1 3.84Å; E28-L32 HydrophobicContact CG-CD1 4.11Å; E28-L32 HydrophobicContact CG-CG 4.42Å; E28-L32 WeakPolarHBondContact O-CG 3.32Å; E28-L32 PolarHBondContact O-N 3.17Å; L29-L32 PolarHBondContact O-N 3.37Å; L32-I60 HydrophobicContact CB-CG2 4.35Å; L32-I60 HydrophobicContact CD1-CD1 4.16Å
33L98Very high96.5Very high2 Ų258.3 Ų58.31%0.0131%0.307CS..THydrogen-bonded Turntrans-101.13.8-179.1-63.2175.2000113.9L29 L30 R31 I35 I60 M63 K65 G66 L73L29-L33 HydrophobicContact CD1-CD1 3.89Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.25Å; L29-L33 WeakPolarHBondContact O-CG 3.39Å; L29-L33 PolarHBondContact O-N 2.89Å; L30-L33 CarbonylContact O-C 3.41Å; L30-L33 PolarHBondContact O-N 2.84Å; R31-L33 PolarHBondContact O-N 3.36Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 HydrophobicContact CB-CD1 3.96Å; L33-I35 HydrophobicContact CB-CG1 3.84Å; L33-I35 HydrophobicContact CD1-CD1 4.26Å; L33-I35 PolarHBondContact O-N 3.4Å; L33-I60 HydrophobicContact CD2-CG2 3.91Å; L33-I60 HydrophobicContact CG-CG2 4.32Å; L33-M63 HydrophobicContact CD1-CB 4.42Å; L33-M63 HydrophobicContact CD1-SD 3.64Å; L33-M63 HydrophobicContact CD2-CB 3.67Å; L33-M63 HydrophobicContact CD2-SD 4.23Å; L33-K65 HydrophobicContact CD2-CG 4.5Å; L33-K65 CarbonylContact O-C 3.56Å; L33-K65 WeakPolarHBondContact O-CA 3.27Å; L33-G66 PolarHBondContact O-N 2.96Å; L33-L73 HydrophobicContact CD1-CD1 3.57Å; L33-L73 HydrophobicContact CD1-CD2 4.37Å; L33-L73 HydrophobicContact CD1-CG 4.44Å
34N97.9Very high96.4Very high111 Ų11158.3 Ų58.359%0.59431%0.307SS*.THydrogen-bonded Turntrans55.439.4-178.7-56.6-20.7000114L30 R31L30-N34 PolarHBondContact O-N 3.26Å; L30-N34 VanDerWaalsContact O-N 3.13Å; R31-N34 PolarHBondContact O-N 3.12Å; R31-N34 PolarHBondContact O-OD1 2.97Å
35I96.5Very high96.3Very high12 Ų1261.2 Ų61.26%0.06231%0.309CS..  trans-130.621.5179.856175.8000111.9L30 L33 A37 D38 L41 L73L30-I35 HydrophobicContact CB-CG1 4.43Å; L30-I35 HydrophobicContact CD2-CD1 3.89Å; L30-I35 HydrophobicContact CD2-CG1 3.85Å; L30-I35 PolarHBondContact O-N 3.18Å; L33-I35 VanDerWaalsContact C-N 3.3Å; L33-I35 HydrophobicContact CB-CD1 3.96Å; L33-I35 HydrophobicContact CB-CG1 3.84Å; L33-I35 HydrophobicContact CD1-CD1 4.26Å; L33-I35 PolarHBondContact O-N 3.4Å; I35-A37 PolarHBondContact O-N 3.18Å; I35-D38 PolarHBondContact O-N 3.22Å; I35-L41 HydrophobicContact CD1-CD1 3.82Å; I35-L41 HydrophobicContact CG1-CD1 4.46Å; I35-L73 HydrophobicContact CD1-CD2 3.34Å
36D95.5Very high96.2Very high80 Ų8061 Ų6143%0.42831%0.312SS..THydrogen-bonded Turntrans-71.4-5.5-179.458.6-51.8000114.4L30 R31 L42L30-D36 HydrophobicContact CB-CB 4.06Å; R31-D36 HydrophobicContact CG-CB 3.79Å; D36-L42 WeakPolarHBondContact O-CD1 3.35Å
37A94.7Very high96.1Very high91 Ų9161 Ų6175%0.75231%0.312SS*.THydrogen-bonded Turntrans-89.8-6.5171.700000113.9I35 E39I35-A37 PolarHBondContact O-N 3.18Å; A37-E39 PolarHBondContact O-N 3.35Å
38D95.4Very high96.1Very high50 Ų5062.7 Ų62.727%0.26732%0.317SS..  trans-76.2107.6-178.1-170.2-55.6000111.5I35 K40 L41 L42I35-D38 PolarHBondContact O-N 3.22Å; D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CA 3.45Å; D38-K40 WeakPolarHBondContact OD1-CB 3.35Å; D38-K40 PolarHBondContact OD1-N 3.06Å; D38-L41 HydrophobicContact CB-CB 4.12Å; D38-L41 HydrophobicContact CB-CD1 4.03Å; D38-L41 HydrophobicContact CB-CG 3.99Å; D38-L41 PolarHBondContact O-N 3.28Å; D38-L41 PolarHBondContact OD1-N 3.11Å; D38-L42 WeakPolarHBondContact O-CB 3.38Å; D38-L42 VanDerWaalsContact O-CG 3.3Å; D38-L42 WeakPolarHBondContact O-CG 3.39Å; D38-L42 PolarHBondContact O-N 2.85Å
39E94.4Very high96Very high168 Ų16869.2 Ų69.279%0.78535%0.345SS*.Hα-helixtrans-61.4-34.1-177.7-65.2-172.4169.400113.3A37 A43A37-E39 PolarHBondContact O-N 3.35Å; E39-A43 PolarHBondContact O-N 3.47Å; E39-A43 VanDerWaalsContact O-N 3.09Å
40K93.4Very high95.8Very high159 Ų15972.8 Ų72.869%0.69136%0.363SS*.Hα-helixtrans-69.3-43.7-179.6-177.6-174.9174.8-171.30110.2D38 A43D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 3.32Å; D38-K40 WeakPolarHBondContact OD1-CA 3.45Å; D38-K40 WeakPolarHBondContact OD1-CB 3.35Å; D38-K40 PolarHBondContact OD1-N 3.06Å; K40-A43 PolarHBondContact O-N 2.71Å
41L94.2Very high95.7Very high31 Ų3174.1 Ų74.116%0.16237%0.369CS..Hα-helixtrans-66.7-41.9176.6-62.2-172.9000111.6L30 I35 D38 A43 G44 P68 L73 L77L30-L41 HydrophobicContact CD1-CB 4.46Å; L30-L41 HydrophobicContact CD2-CB 3.98Å; L30-L41 HydrophobicContact CD2-CD1 3.84Å; I35-L41 HydrophobicContact CD1-CD1 3.82Å; I35-L41 HydrophobicContact CG1-CD1 4.46Å; D38-L41 HydrophobicContact CB-CB 4.12Å; D38-L41 HydrophobicContact CB-CD1 4.03Å; D38-L41 HydrophobicContact CB-CG 3.99Å; D38-L41 PolarHBondContact O-N 3.28Å; D38-L41 PolarHBondContact OD1-N 3.11Å; L41-A43 VanDerWaalsContact C-N 3.27Å; L41-A43 PolarHBondContact O-N 3.47Å; L41-G44 PolarHBondContact O-N 3.29Å; L41-G44 VanDerWaalsContact O-N 3.09Å; L41-P68 HydrophobicContact CD1-CB 3.87Å; L41-L73 HydrophobicContact CD1-CD2 4.38Å; L41-L77 HydrophobicContact CB-CD2 4.15Å; L41-L77 HydrophobicContact CD1-CD2 4.03Å; L41-L77 HydrophobicContact CD2-CD2 3.78Å; L41-L77 HydrophobicContact CG-CD2 4.2Å
42L94.9Very high95.6Very high49 Ų4969.7 Ų69.726%0.25736%0.364SS..Hα-helixtrans-60.7-33.8176.9-74.3171.6000113L30 D36 D38 G44 R45L30-L42 HydrophobicContact CD1-CD2 3.76Å; L30-L42 HydrophobicContact CD1-CG 4.3Å; D36-L42 WeakPolarHBondContact O-CD1 3.35Å; D38-L42 WeakPolarHBondContact O-CB 3.38Å; D38-L42 VanDerWaalsContact O-CG 3.3Å; D38-L42 WeakPolarHBondContact O-CG 3.39Å; D38-L42 PolarHBondContact O-N 2.85Å; L42-G44 PolarHBondContact O-N 3.48Å; L42-R45 WeakPolarHBondContact O-CD 3.37Å; L42-R45 WeakPolarHBondContact O-CG 3.33Å; L42-R45 PolarHBondContact O-N 3.48Å
43A95.2Very high95.6Very high41 Ų4167 Ų6734%0.33935%0.35SS..Hα-helixtrans-60.9-28.1176.900000112.7E39 K40 L41 R45E39-A43 PolarHBondContact O-N 3.47Å; E39-A43 VanDerWaalsContact O-N 3.09Å; K40-A43 PolarHBondContact O-N 2.71Å; L41-A43 VanDerWaalsContact C-N 3.27Å; L41-A43 PolarHBondContact O-N 3.47Å; A43-R45 PolarHBondContact O-N 3.26Å
44G95.1Very high95.6Very high1 Ų170.5 Ų70.51%0.0136%0.363CS..G310 helixtrans-76.6-14.7-179.700000115.7L41 L42 S46 A47 T78 Q80L41-G44 PolarHBondContact O-N 3.29Å; L41-G44 VanDerWaalsContact O-N 3.09Å; L42-G44 PolarHBondContact O-N 3.48Å; G44-S46 PolarHBondContact O-N 3.34Å; G44-A47 WeakPolarHBondContact O-CB 3.34Å; G44-A47 PolarHBondContact O-N 3.02Å; G44-T78 WeakPolarHBondContact O-CB 3.47Å; G44-T78 PolarHBondContact O-OG1 2.92Å; G44-Q80 VanDerWaalsContact CA-N 3.33Å
45R95.3Very high95.7Very high135 Ų13565.2 Ų65.251%0.50933%0.334SS..G310 helixtrans-54.7-29.3-171.270.7-170.1170.5169.9-6.1115.1P26 L42 A43 A47 K48P26-R45 HydrophobicContact CB-CB 4.24Å; P26-R45 HydrophobicContact CG-CB 4.47Å; L42-R45 WeakPolarHBondContact O-CD 3.37Å; L42-R45 WeakPolarHBondContact O-CG 3.33Å; L42-R45 PolarHBondContact O-N 3.48Å; A43-R45 PolarHBondContact O-N 3.26Å; R45-A47 VanDerWaalsContact C-N 3.28Å; R45-A47 PolarHBondContact O-N 3.27Å; R45-K48 WeakPolarHBondContact O-CG 3.46Å; R45-K48 PolarHBondContact O-N 3.42Å
46S95.6Very high95.7Very high48 Ų4864.6 Ų64.634%0.33633%0.332SS..G310 helixtrans-72.8-19.6-17968.10000113.3G44 K48 K49 F83G44-S46 PolarHBondContact O-N 3.34Å; S46-K48 PolarHBondContact O-N 3.12Å; S46-K48 VanDerWaalsContact O-N 3.12Å; S46-K49 WeakPolarHBondContact O-CB 3.31Å; S46-K49 WeakPolarHBondContact O-CG 3.18Å; S46-K49 PolarHBondContact O-N 2.98Å; S46-K49 VanDerWaalsContact O-N 3.07Å; S46-F83 VanDerWaalsContact OG-CE2 3.31Å; S46-F83 WeakPolarHBondContact OG-CE2 3.29Å; S46-F83 WeakPolarHBondContact OG-CZ 3.26Å
47A96.2Very high95.8Very high0 Ų064.7 Ų64.70%033%0.326CS..G310 helixtrans-67.1-9.9177.100000113.2G44 R45 K49 L50 F51 S79 E82 F83G44-A47 WeakPolarHBondContact O-CB 3.34Å; G44-A47 PolarHBondContact O-N 3.02Å; R45-A47 VanDerWaalsContact C-N 3.28Å; R45-A47 PolarHBondContact O-N 3.27Å; A47-K49 PolarHBondContact O-N 3.25Å; A47-K49 VanDerWaalsContact O-N 3.11Å; A47-L50 HydrophobicContact CB-CD1 4.34Å; A47-L50 WeakPolarHBondContact O-CB 3.3Å; A47-L50 PolarHBondContact O-N 2.96Å; A47-F51 PolarHBondContact O-N 3.4Å; A47-S79 WeakPolarHBondContact CB-O 3.21Å; A47-E82 HydrophobicContact CB-CB 4.1Å; A47-F83 HydrophobicContact CB-CD2 4.38Å; A47-F83 HydrophobicContact CB-CE2 3.73Å; A47-F83 HydrophobicContact CB-CZ 4.18Å
48K96.3Very high95.8Very high87 Ų8761.6 Ų61.638%0.37830%0.299SS..G310 helixtrans-57.4-22.216778.1-174.6179.5177.60113.3D25 P26 R45 S46 F51 A52 T78D25-K48 IonicContact OD1-NZ 3.18Å; D25-K48 PolarHBondContact OD1-NZ 3.33Å; P26-K48 HydrophobicContact CG-CB 4.32Å; P26-K48 HydrophobicContact CG-CD 3.96Å; R45-K48 WeakPolarHBondContact O-CG 3.46Å; R45-K48 PolarHBondContact O-N 3.42Å; S46-K48 PolarHBondContact O-N 3.12Å; S46-K48 VanDerWaalsContact O-N 3.12Å; K48-F51 CarbonylContact O-C 3.58Å; K48-A52 WeakPolarHBondContact O-CA 3.05Å; K48-A52 PolarHBondContact O-N 3.49Å; K48-T78 HydrophobicContact CB-CG2 4.02Å
49K95.3Very high95.9Very high184 Ų18459.2 Ų59.280%0.829%0.286SS*.G310 helixtrans-72.9-28.8173.3-63176.3-178.2178.40113.1S46 A47S46-K49 WeakPolarHBondContact O-CB 3.31Å; S46-K49 WeakPolarHBondContact O-CG 3.18Å; S46-K49 PolarHBondContact O-N 2.98Å; S46-K49 VanDerWaalsContact O-N 3.07Å; A47-K49 PolarHBondContact O-N 3.25Å; A47-K49 VanDerWaalsContact O-N 3.11Å
50L94.7Very high96.1Very high75 Ų7551.6 Ų51.639%0.39325%0.251SS..THydrogen-bonded Turntrans-78.7-42.5177.2-57.8178.8000111.1A47 E82 F83A47-L50 HydrophobicContact CB-CD1 4.34Å; A47-L50 WeakPolarHBondContact O-CB 3.3Å; A47-L50 PolarHBondContact O-N 2.96Å; L50-E82 HydrophobicContact CD1-CB 4.03Å; L50-E82 WeakPolarHBondContact CD1-O 3.49Å; L50-F83 HydrophobicContact CD1-CD1 3.67Å; L50-F83 HydrophobicContact CD1-CD2 4.4Å; L50-F83 HydrophobicContact CD1-CE1 3.72Å; L50-F83 HydrophobicContact CD1-CE2 4.45Å; L50-F83 HydrophobicContact CD1-CG 4.03Å; L50-F83 HydrophobicContact CD1-CZ 4.12Å; L50-F83 HydrophobicContact CD2-CD1 4.22Å; L50-F83 HydrophobicContact CD2-CE1 3.91Å; L50-F83 HydrophobicContact CG-CD1 4.22Å; L50-F83 HydrophobicContact CG-CE1 3.81Å; L50-F83 HydrophobicContact CG-CZ 4.23Å
51F95.8Very high96.2Very high29 Ų2950.3 Ų50.313%0.12725%0.251CS..SBendtrans-153.7117.4177.2-173.7-130.6000108A47 K48 N123 C124 R125 C127 R130A47-F51 PolarHBondContact O-N 3.4Å; K48-F51 CarbonylContact O-C 3.58Å; F51-N123 HydrophobicContact CD1-CB 4.14Å; F51-N123 HydrophobicContact CE1-CB 3.48Å; F51-N123 VanDerWaalsContact CE1-CB 3.48Å; F51-N123 HydrophobicContact CE2-CB 4.49Å; F51-N123 HydrophobicContact CZ-CB 3.68Å; F51-C124 WeakPolarHBondContact CE1-O 3.39Å; F51-R125 PolarHBondContact O-NH1 3.45Å; F51-R125 PolarHBondContact O-NH2 3.01Å; F51-R125 VanDerWaalsContact O-NH2 3.14Å; F51-C127 HydrophobicContact CE1-CB 4.25Å; F51-C127 HydrophobicContact CZ-CB 4.37Å; F51-R130 HydrophobicContact CD1-CB 4.13Å; F51-R130 HydrophobicContact CD2-CB 3.86Å; F51-R130 HydrophobicContact CE1-CB 4.12Å; F51-R130 HydrophobicContact CE2-CB 3.87Å; F51-R130 HydrophobicContact CG-CB 4.01Å; F51-R130 HydrophobicContact CZ-CB 4.01Å
52A96.5Very high96.4Very high53 Ų5350.5 Ų50.544%0.43825%0.25SC..  trans-56.3143.3-172.300000111.8K48 N123K48-A52 WeakPolarHBondContact O-CA 3.05Å; K48-A52 PolarHBondContact O-N 3.49Å; A52-N123 VanDerWaalsContact O-CB 3.23Å; A52-N123 WeakPolarHBondContact O-CB 3.48Å; A52-N123 PolarHBondContact O-ND2 3.48Å
53L97.9Very high96.5Very high2 Ų248.7 Ų48.71%0.0124%0.24CC..  trans-77.2133.2169.4-176.2137.2000109V23 T24 P26 L29 V55 L77 T78V23-L53 HydrophobicContact CG1-CD2 4.25Å; V23-L53 WeakPolarHBondContact O-CD2 3.34Å; T24-L53 WeakPolarHBondContact CA-O 3.44Å; P26-L53 HydrophobicContact CB-CD1 4.31Å; P26-L53 HydrophobicContact CG-CB 4.4Å; P26-L53 HydrophobicContact CG-CD1 4.04Å; L29-L53 HydrophobicContact CD2-CD1 3.99Å; L53-V55 HydrophobicContact CD2-CG2 3.97Å; L53-V55 HydrophobicContact CG-CG2 4.05Å; L53-L77 HydrophobicContact CD1-CD1 4.42Å; L53-T78 HydrophobicContact CB-CG2 4.21Å; L53-T78 HydrophobicContact CD1-CG2 4.23Å
54R98Very high96.6Very high74 Ų7452.4 Ų52.428%0.27925%0.251SS..  trans-146.6117.6171.8-66.2-176.367.482.23.2107.4V23 T24 C120 V122 N123V23-R54 CarbonylContact O-C 3.5Å; V23-R54 WeakPolarHBondContact O-CA 3.39Å; T24-R54 HydrophobicContact CG2-CG 4.42Å; R54-C120 PolarHBondContact NE-O 2.82Å; R54-C120 VanDerWaalsContact NE-O 3.16Å; R54-V122 VanDerWaalsContact O-CA 3.3Å; R54-V122 WeakPolarHBondContact O-CA 3.28Å; R54-N123 HydrophobicContact CB-CB 4.28Å; R54-N123 PolarHBondContact O-N 3.47Å; R54-N123 VanDerWaalsContact O-N 3.1Å
55V98.3Very high96.7Very high0 Ų059.1 Ų59.10%028%0.279CS..EExtended strand (participates in β ladder)trans-140.5116.6-179.5-164.70000109.7V23 L29 L53 F59 I60 M63 V76V23-V55 PolarHBondContact N-O 2.84Å; V23-V55 PolarHBondContact O-N 2.94Å; L29-V55 HydrophobicContact CD2-CG2 4.18Å; L53-V55 HydrophobicContact CD2-CG2 3.97Å; L53-V55 HydrophobicContact CG-CG2 4.05Å; V55-F59 HydrophobicContact CG1-CB 4.34Å; V55-F59 HydrophobicContact CG1-CD1 3.87Å; V55-I60 HydrophobicContact CB-CD1 4.25Å; V55-I60 HydrophobicContact CB-CG1 4.27Å; V55-I60 HydrophobicContact CG1-CD1 4.14Å; V55-I60 HydrophobicContact CG1-CG1 3.61Å; V55-M63 HydrophobicContact CG1-CE 4.3Å; V55-V76 HydrophobicContact CG1-CB 4.46Å; V55-V76 HydrophobicContact CG1-CG2 4.07Å; V55-V76 HydrophobicContact CG2-CB 3.76Å; V55-V76 HydrophobicContact CG2-CG1 4.47Å; V55-V76 HydrophobicContact CG2-CG2 3.82Å
56P97.9Very high96.8Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-64143.4173.5-24.837.2000112.3V22 S58 F59 I60 A121 V200 I201V22-P56 HydrophobicContact CG1-CB 4.28Å; V22-P56 HydrophobicContact CG1-CG 3.98Å; P56-S58 VanDerWaalsContact C-N 3.29Å; P56-S58 PolarHBondContact O-N 2.83Å; P56-F59 WeakPolarHBondContact O-CA 3.19Å; P56-F59 WeakPolarHBondContact O-CB 3.42Å; P56-F59 PolarHBondContact O-N 2.77Å; P56-I60 PolarHBondContact O-N 2.77Å; P56-A121 WeakPolarHBondContact CD-O 3.45Å; P56-A121 HydrophobicContact CG-CB 4.17Å; P56-V200 HydrophobicContact CB-CB 4.48Å; P56-V200 WeakPolarHBondContact CB-O 3.43Å; P56-V200 HydrophobicContact CG-CB 3.88Å; P56-V200 HydrophobicContact CG-CG2 3.89Å; P56-I201 HydrophobicContact CB-CD1 4.06Å; P56-I201 HydrophobicContact CB-CG1 3.72Å; P56-I201 HydrophobicContact CG-CD1 3.95Å; P56-I201 HydrophobicContact CG-CG1 3.83Å
57R97Very high96.8Very high81 Ų8154.4 Ų54.431%0.30627%0.272SS..Hα-helixtrans-57.7-39.9179.9-68.7-171.5-177.7-76.1-8.9112.9D21 V23 E28 F59 I60 D61D21-R57 VanDerWaalsContact CG-NE 3.29Å; D21-R57 IonicContact OD1-CZ 3.69Å; D21-R57 IonicContact OD1-NE 2.76Å; D21-R57 PolarHBondContact OD1-NE 3.39Å; D21-R57 IonicContact OD1-NH2 2.72Å; D21-R57 WeakPolarHBondContact OD2-CD 3.47Å; D21-R57 IonicContact OD2-NE 2.93Å; D21-R57 PolarHBondContact OD2-NE 3.19Å; V23-R57 HydrophobicContact CG2-CG 4.47Å; E28-R57 IonicContact OE1-CZ 3.03Å; E28-R57 IonicContact OE1-NH1 3.52Å; E28-R57 IonicContact OE1-NH2 2.82Å; E28-R57 PolarHBondContact OE1-NH2 3.46Å; R57-F59 PolarHBondContact O-N 2.83Å; R57-F59 VanDerWaalsContact O-N 3.15Å; R57-I60 CarbonylContact O-C 3.54Å; R57-I60 WeakPolarHBondContact O-CA 3.42Å; R57-I60 WeakPolarHBondContact O-CB 3.38Å; R57-I60 PolarHBondContact O-N 3.18Å; R57-D61 VanDerWaalsContact O-CG 3.26Å; R57-D61 PolarHBondContact O-N 2.97Å
58S94.6Very high96.8Very high26 Ų2656.3 Ų56.318%0.18228%0.284CS..Hα-helixtrans-64.8-16.8175.147.90000114.2P56 R62 V200P56-S58 VanDerWaalsContact C-N 3.29Å; P56-S58 PolarHBondContact O-N 2.83Å; S58-R62 PolarHBondContact O-NE 3Å; S58-R62 PolarHBondContact O-NH2 2.99Å; S58-V200 PolarHBondContact OG-O 3.04Å
59F97.8Very high96.8Very high0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-83.8-37.8167.2-167.2-104.7000112V55 P56 R57 D61 R62 M63 L72 V76 V200 E231V55-F59 HydrophobicContact CG1-CB 4.34Å; V55-F59 HydrophobicContact CG1-CD1 3.87Å; P56-F59 WeakPolarHBondContact O-CA 3.19Å; P56-F59 WeakPolarHBondContact O-CB 3.42Å; P56-F59 PolarHBondContact O-N 2.77Å; R57-F59 PolarHBondContact O-N 2.83Å; R57-F59 VanDerWaalsContact O-N 3.15Å; F59-D61 VanDerWaalsContact C-N 3.33Å; F59-D61 PolarHBondContact O-N 2.83Å; F59-R62 PolarHBondContact O-N 3.47Å; F59-M63 HydrophobicContact CD1-CE 3.43Å; F59-M63 VanDerWaalsContact CD1-CE 3.43Å; F59-M63 HydrophobicContact CE1-CE 3.55Å; F59-L72 HydrophobicContact CE1-CB 4.04Å; F59-L72 HydrophobicContact CE1-CG 4.34Å; F59-L72 HydrophobicContact CE2-CD2 4.25Å; F59-L72 HydrophobicContact CE2-CG 4.24Å; F59-L72 HydrophobicContact CZ-CB 3.94Å; F59-L72 HydrophobicContact CZ-CD2 4.18Å; F59-L72 HydrophobicContact CZ-CG 3.76Å; F59-V76 HydrophobicContact CD1-CG1 4.21Å; F59-V76 HydrophobicContact CE1-CG1 3.7Å; F59-V76 HydrophobicContact CE1-CG2 4.37Å; F59-V200 HydrophobicContact CB-CB 4.24Å; F59-V200 HydrophobicContact CB-CG1 4.19Å; F59-V200 HydrophobicContact CD2-CB 4.39Å; F59-V200 HydrophobicContact CD2-CG1 3.61Å; F59-V200 HydrophobicContact CE2-CG1 4.14Å; F59-V200 HydrophobicContact CG-CG1 3.94Å; F59-E231 HydrophobicContact CE2-CB 4.49Å; F59-E231 HydrophobicContact CE2-CG 3.9Å; F59-E231 HydrophobicContact CZ-CG 4.25Å
60I98Very high96.9Very high9 Ų948 Ų485%0.04625%0.252CS..Hα-helixtrans-63.2-39.3175.7-59.8169.2000111V23 L29 L32 L33 V55 P56 R57 R62 M63V23-I60 HydrophobicContact CB-CD1 3.9Å; V23-I60 HydrophobicContact CG2-CD1 3.48Å; V23-I60 VanDerWaalsContact CG2-CD1 3.48Å; L29-I60 HydrophobicContact CD1-CD1 3.66Å; L29-I60 HydrophobicContact CD1-CG1 3.67Å; L29-I60 HydrophobicContact CD1-CG2 4.08Å; L32-I60 HydrophobicContact CB-CG2 4.35Å; L32-I60 HydrophobicContact CD1-CD1 4.16Å; L33-I60 HydrophobicContact CD2-CG2 3.91Å; L33-I60 HydrophobicContact CG-CG2 4.32Å; V55-I60 HydrophobicContact CB-CD1 4.25Å; V55-I60 HydrophobicContact CB-CG1 4.27Å; V55-I60 HydrophobicContact CG1-CD1 4.14Å; V55-I60 HydrophobicContact CG1-CG1 3.61Å; P56-I60 PolarHBondContact O-N 2.77Å; R57-I60 CarbonylContact O-C 3.54Å; R57-I60 WeakPolarHBondContact O-CA 3.42Å; R57-I60 WeakPolarHBondContact O-CB 3.38Å; R57-I60 PolarHBondContact O-N 3.18Å; I60-R62 PolarHBondContact O-N 2.95Å; I60-M63 WeakPolarHBondContact O-CB 3.47Å; I60-M63 PolarHBondContact O-N 3.35Å
61D96.5Very high97.1Very high131 Ų13145.4 Ų45.470%0.70124%0.24SC*.THydrogen-bonded Turntrans-61.6-16.6-179.3-67-26.9000113.9R57 F59R57-D61 VanDerWaalsContact O-CG 3.26Å; R57-D61 PolarHBondContact O-N 2.97Å; F59-D61 VanDerWaalsContact C-N 3.33Å; F59-D61 PolarHBondContact O-N 2.83Å
62R97.2Very high97.2Very high35 Ų3544 Ų4413%0.13223%0.234CC..THydrogen-bonded Turntrans-90.1-9.7175.6-76.7173.1-79.8-171.4-13.6114.1S58 F59 I60 L72 I199 N230 E231 D233S58-R62 PolarHBondContact O-NE 3Å; S58-R62 PolarHBondContact O-NH2 2.99Å; F59-R62 PolarHBondContact O-N 3.47Å; I60-R62 PolarHBondContact O-N 2.95Å; R62-L72 HydrophobicContact CB-CD2 3.7Å; R62-I199 PolarHBondContact NH1-O 3.26Å; R62-I199 PolarHBondContact NH2-O 2.65Å; R62-N230 WeakPolarHBondContact CD-O 3.26Å; R62-E231 PolarHBondContact NH1-O 3.29Å; R62-D233 HydrophobicContact CG-CB 4.45Å
63M97.9Very high97.3Very high11 Ų1141.6 Ų41.65%0.05421%0.213CC..SBendtrans-81.5146.3179.5-61.8171-172.100110.6L33 V55 F59 I60 K65 D70 L72 L73 V76L33-M63 HydrophobicContact CD1-CB 4.42Å; L33-M63 HydrophobicContact CD1-SD 3.64Å; L33-M63 HydrophobicContact CD2-CB 3.67Å; L33-M63 HydrophobicContact CD2-SD 4.23Å; V55-M63 HydrophobicContact CG1-CE 4.3Å; F59-M63 HydrophobicContact CD1-CE 3.43Å; F59-M63 VanDerWaalsContact CD1-CE 3.43Å; F59-M63 HydrophobicContact CE1-CE 3.55Å; I60-M63 WeakPolarHBondContact O-CB 3.47Å; I60-M63 PolarHBondContact O-N 3.35Å; M63-K65 PolarHBondContact O-N 3.34Å; M63-D70 WeakPolarHBondContact CA-OD2 3.2Å; M63-L72 HydrophobicContact CE-CB 4.16Å; M63-L72 HydrophobicContact CG-CB 3.82Å; M63-L73 HydrophobicContact SD-CB 4.21Å; M63-L73 HydrophobicContact SD-CD1 4.19Å; M63-V76 HydrophobicContact CE-CG2 3.66Å
64E97.1Very high97.3Very high120 Ų12044.7 Ų44.756%0.56123%0.225SC*.PPolyproline II helixtrans-74.3118.4174.4-174.9178.7-168.800111N67 D70E64-N67 HydrophobicContact CB-CB 3.88Å; E64-N67 HydrophobicContact CG-CB 3.82Å; E64-N67 PolarHBondContact O-N 2.86Å; E64-N67 PolarHBondContact OE2-ND2 3.5Å; E64-D70 PolarHBondContact N-OD2 3.17Å
65K97Very high97.3Very high141 Ų14141.1 Ų41.161%0.61321%0.212SC*.THydrogen-bonded Turntrans-68.7136.3176.5-63.9-173.5177.9-177.90110.6L33 M63 N67L33-K65 HydrophobicContact CD2-CG 4.5Å; L33-K65 CarbonylContact O-C 3.56Å; L33-K65 WeakPolarHBondContact O-CA 3.27Å; M63-K65 PolarHBondContact O-N 3.34Å; K65-N67 VanDerWaalsContact C-N 3.27Å
66G97.2Very high97.3Very high46 Ų4641.1 Ų41.147%0.47421%0.212SC..THydrogen-bonded Turntrans81.90.7-177.400000114.1L33 P68L33-G66 PolarHBondContact O-N 2.96Å; G66-P68 WeakPolarHBondContact O-CD 3.42Å
67N96.6Very high97.3Very high39 Ų3941.8 Ų41.821%0.20922%0.215CC..  trans-104.1102.7179.5-175.2-0.9000111.2E64 K65 D69 D70E64-N67 HydrophobicContact CB-CB 3.88Å; E64-N67 HydrophobicContact CG-CB 3.82Å; E64-N67 PolarHBondContact O-N 2.86Å; E64-N67 PolarHBondContact OE2-ND2 3.5Å; K65-N67 VanDerWaalsContact C-N 3.27Å; N67-D69 PolarHBondContact O-N 3.31Å; N67-D69 WeakPolarHBondContact OD1-CA 3.43Å; N67-D69 PolarHBondContact OD1-N 3.38Å; N67-D70 HydrophobicContact CB-CB 4.37Å; N67-D70 PolarHBondContact O-N 2.88Å; N67-D70 PolarHBondContact OD1-N 3.26Å
68P96.1Very high97.3Very high40 Ų4038.1 Ų38.126%0.2620%0.201SC..THydrogen-bonded Turntrans-69.6-17176.529.5-35.2000113.3L41 G66L41-P68 HydrophobicContact CD1-CB 3.87Å; G66-P68 WeakPolarHBondContact O-CD 3.42Å
69D95.5Very high97.4Very high94 Ų9438.3 Ų38.350%0.50320%0.203SC..THydrogen-bonded Turntrans-98.411.2-178.8-69.8-52.4000113.3N67 R74N67-D69 PolarHBondContact O-N 3.31Å; N67-D69 WeakPolarHBondContact OD1-CA 3.43Å; N67-D69 PolarHBondContact OD1-N 3.38Å; D69-R74 IonicContact OD1-CZ 3.35Å; D69-R74 IonicContact OD1-NE 3.08Å; D69-R74 IonicContact OD1-NH2 2.81Å; D69-R74 PolarHBondContact OD1-NH2 2.95Å
70D97.9Very high97.4Very high1 Ų143.8 Ų43.81%0.00523%0.229CC..  trans-55.4128.4179.8178.4-73.4000111.6M63 E64 N67 L72 L73 R74M63-D70 WeakPolarHBondContact CA-OD2 3.2Å; E64-D70 PolarHBondContact N-OD2 3.17Å; N67-D70 HydrophobicContact CB-CB 4.37Å; N67-D70 PolarHBondContact O-N 2.88Å; N67-D70 PolarHBondContact OD1-N 3.26Å; D70-L72 VanDerWaalsContact C-N 3.27Å; D70-L72 PolarHBondContact O-N 3.35Å; D70-L72 VanDerWaalsContact OD1-CA 3.3Å; D70-L72 WeakPolarHBondContact OD1-CA 3.49Å; D70-L72 VanDerWaalsContact OD1-CB 3.23Å; D70-L72 WeakPolarHBondContact OD1-CB 3.47Å; D70-L72 PolarHBondContact OD1-N 3.35Å; D70-L73 HydrophobicContact CB-CB 3.94Å; D70-L73 WeakPolarHBondContact O-CB 3.38Å; D70-L73 PolarHBondContact O-N 3.14Å; D70-L73 PolarHBondContact OD1-N 3.14Å; D70-R74 PolarHBondContact O-N 3.11Å
71P97.8Very high97.3Very high21 Ų2146.9 Ų46.914%0.13625%0.245CC..Hα-helixtrans-70.1-20-17427.3-35.1000113.5Q75 V260P71-Q75 WeakPolarHBondContact O-CG 3.42Å; P71-Q75 PolarHBondContact O-NE2 3.35Å; P71-V260 HydrophobicContact CB-CG1 4.24Å
72L98.5Very high97.3Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-80.5-41.2172.9-83.455.1000110F59 R62 M63 D70 R74 Q75 H228 N230 E231F59-L72 HydrophobicContact CE1-CB 4.04Å; F59-L72 HydrophobicContact CE1-CG 4.34Å; F59-L72 HydrophobicContact CE2-CD2 4.25Å; F59-L72 HydrophobicContact CE2-CG 4.24Å; F59-L72 HydrophobicContact CZ-CB 3.94Å; F59-L72 HydrophobicContact CZ-CD2 4.18Å; F59-L72 HydrophobicContact CZ-CG 3.76Å; R62-L72 HydrophobicContact CB-CD2 3.7Å; M63-L72 HydrophobicContact CE-CB 4.16Å; M63-L72 HydrophobicContact CG-CB 3.82Å; D70-L72 VanDerWaalsContact C-N 3.27Å; D70-L72 PolarHBondContact O-N 3.35Å; D70-L72 VanDerWaalsContact OD1-CA 3.3Å; D70-L72 WeakPolarHBondContact OD1-CA 3.49Å; D70-L72 VanDerWaalsContact OD1-CB 3.23Å; D70-L72 WeakPolarHBondContact OD1-CB 3.47Å; D70-L72 PolarHBondContact OD1-N 3.35Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.92Å; L72-Q75 WeakPolarHBondContact O-CB 3.15Å; L72-Q75 PolarHBondContact O-N 3.25Å; L72-H228 HydrophobicContact CD1-CB 3.91Å; L72-N230 HydrophobicContact CD1-CB 3.68Å; L72-N230 HydrophobicContact CD2-CB 4.25Å; L72-E231 HydrophobicContact CD1-CG 3.86Å; L72-E231 HydrophobicContact CD2-CG 4.19Å; L72-E231 HydrophobicContact CG-CG 3.82Å
73L98.3Very high97.3Very high2 Ų243.6 Ų43.61%0.0123%0.226CC..Hα-helixtrans-57.6-48175.8-179.765.2000111.2L29 L33 I35 L41 M63 D70 Q75 V76 L77L29-L73 HydrophobicContact CD2-CD1 3.97Å; L29-L73 HydrophobicContact CG-CD1 4.22Å; L33-L73 HydrophobicContact CD1-CD1 3.57Å; L33-L73 HydrophobicContact CD1-CD2 4.37Å; L33-L73 HydrophobicContact CD1-CG 4.44Å; I35-L73 HydrophobicContact CD1-CD2 3.34Å; L41-L73 HydrophobicContact CD1-CD2 4.38Å; M63-L73 HydrophobicContact SD-CB 4.21Å; M63-L73 HydrophobicContact SD-CD1 4.19Å; D70-L73 HydrophobicContact CB-CB 3.94Å; D70-L73 WeakPolarHBondContact O-CB 3.38Å; D70-L73 PolarHBondContact O-N 3.14Å; D70-L73 PolarHBondContact OD1-N 3.14Å; L73-Q75 PolarHBondContact O-N 3.46Å; L73-Q75 VanDerWaalsContact O-N 3.11Å; L73-V76 PolarHBondContact O-N 3.08Å; L73-L77 HydrophobicContact CD1-CB 3.74Å; L73-L77 HydrophobicContact CD1-CD2 4.03Å; L73-L77 HydrophobicContact CD1-CG 4.33Å; L73-L77 HydrophobicContact CD2-CD2 4.12Å; L73-L77 HydrophobicContact CG-CB 4.02Å; L73-L77 HydrophobicContact CG-CD2 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.2Å
74R97.7Very high97.1Very high67 Ų6746.8 Ų46.825%0.25325%0.246SC..Hα-helixtrans-53.2-34.3178.5-76.6178.1172.3-108.78.2112.5D69 D70 L72 V76 D259 V260 F296D69-R74 IonicContact OD1-CZ 3.35Å; D69-R74 IonicContact OD1-NE 3.08Å; D69-R74 IonicContact OD1-NH2 2.81Å; D69-R74 PolarHBondContact OD1-NH2 2.95Å; D70-R74 PolarHBondContact O-N 3.11Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 2.92Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 3.1Å; R74-D259 VanDerWaalsContact CD-O 3.29Å; R74-D259 WeakPolarHBondContact CD-O 3.28Å; R74-D259 IonicContact CZ-OD2 3.43Å; R74-D259 VanDerWaalsContact NH1-CG 3.33Å; R74-D259 IonicContact NH1-OD2 2.73Å; R74-D259 PolarHBondContact NH1-OD2 3.48Å; R74-D259 IonicContact NH2-OD2 3.22Å; R74-V260 HydrophobicContact CB-CG2 3.91Å; R74-F296 VanDerWaalsContact O-CZ 3.26Å; R74-F296 WeakPolarHBondContact O-CZ 3.3Å
75Q98.5Very high97.1Very high0 Ų046.2 Ų46.20%025%0.25CS..THydrogen-bonded Turntrans-72.9-16.8-179.2-66.2178.56500114.5P71 L72 L73 C124 R125 Y126 N227 E231 L257 V260P71-Q75 WeakPolarHBondContact O-CG 3.42Å; P71-Q75 PolarHBondContact O-NE2 3.35Å; L72-Q75 WeakPolarHBondContact O-CB 3.15Å; L72-Q75 PolarHBondContact O-N 3.25Å; L73-Q75 PolarHBondContact O-N 3.46Å; L73-Q75 VanDerWaalsContact O-N 3.11Å; Q75-C124 WeakPolarHBondContact O-CA 3.36Å; Q75-R125 PolarHBondContact O-N 3.13Å; Q75-Y126 HydrophobicContact CB-CE1 4.14Å; Q75-Y126 HydrophobicContact CG-CE1 4.17Å; Q75-N227 PolarHBondContact OE1-ND2 2.84Å; Q75-E231 PolarHBondContact NE2-OE1 2.74Å; Q75-E231 PolarHBondContact OE1-OE1 3.36Å; Q75-L257 HydrophobicContact CG-CD1 4.31Å; Q75-V260 HydrophobicContact CG-CG1 3.98Å; Q75-V260 HydrophobicContact CG-CG2 4.14Å
76V98.2Very high97Very high0 Ų040.7 Ų40.70%023%0.231CC..THydrogen-bonded Turntrans-130.5-24.6-169.5-59.40000115.3L29 V55 F59 M63 L73 R74 V122 R125L29-V76 HydrophobicContact CD2-CG2 4.38Å; V55-V76 HydrophobicContact CG1-CB 4.46Å; V55-V76 HydrophobicContact CG1-CG2 4.07Å; V55-V76 HydrophobicContact CG2-CB 3.76Å; V55-V76 HydrophobicContact CG2-CG1 4.47Å; V55-V76 HydrophobicContact CG2-CG2 3.82Å; F59-V76 HydrophobicContact CD1-CG1 4.21Å; F59-V76 HydrophobicContact CE1-CG1 3.7Å; F59-V76 HydrophobicContact CE1-CG2 4.37Å; M63-V76 HydrophobicContact CE-CG2 3.66Å; L73-V76 PolarHBondContact O-N 3.08Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 3.1Å; V76-V122 HydrophobicContact CG1-CG2 3.66Å; V76-R125 WeakPolarHBondContact O-CD 3.26Å
77L98.1Very high96.9Very high14 Ų1444.4 Ų44.47%0.07325%0.249CC..SBendtrans-74.9137179.6-178.165.5000111P26 L29 L30 L41 L53 L73 R125P26-L77 HydrophobicContact CB-CD1 4.35Å; L29-L77 HydrophobicContact CD2-CB 4.5Å; L29-L77 HydrophobicContact CD2-CD1 4.03Å; L30-L77 HydrophobicContact CD2-CD1 4.11Å; L30-L77 HydrophobicContact CD2-CD2 3.83Å; L30-L77 HydrophobicContact CG-CD1 4.37Å; L41-L77 HydrophobicContact CB-CD2 4.15Å; L41-L77 HydrophobicContact CD1-CD2 4.03Å; L41-L77 HydrophobicContact CD2-CD2 3.78Å; L41-L77 HydrophobicContact CG-CD2 4.2Å; L53-L77 HydrophobicContact CD1-CD1 4.42Å; L73-L77 HydrophobicContact CD1-CB 3.74Å; L73-L77 HydrophobicContact CD1-CD2 4.03Å; L73-L77 HydrophobicContact CD1-CG 4.33Å; L73-L77 HydrophobicContact CD2-CD2 4.12Å; L73-L77 HydrophobicContact CG-CB 4.02Å; L73-L77 HydrophobicContact CG-CD2 4.04Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.2Å; L77-R125 VanDerWaalsContact O-CG 3.22Å; L77-R125 WeakPolarHBondContact O-CG 3.22Å
78T97.7Very high96.8Very high3 Ų345.2 Ų45.22%0.01827%0.267CS..  trans-64.7133.7176.150.20000111.8P26 G44 K48 L53 E82P26-T78 HydrophobicContact CG-CG2 4.23Å; P26-T78 WeakPolarHBondContact CG-OG1 3.19Å; G44-T78 WeakPolarHBondContact O-CB 3.47Å; G44-T78 PolarHBondContact O-OG1 2.92Å; K48-T78 HydrophobicContact CB-CG2 4.02Å; L53-T78 HydrophobicContact CB-CG2 4.21Å; L53-T78 HydrophobicContact CD1-CG2 4.23Å; T78-E82 WeakPolarHBondContact CA-OE1 3.43Å
79S96.2Very high96.9Very high31 Ų3144.9 Ų44.922%0.21726%0.262CS..  trans-116.3150.8178.6177.20000112.7A47 D81 E82A47-S79 WeakPolarHBondContact CB-O 3.21Å; S79-D81 PolarHBondContact O-N 2.93Å; S79-D81 PolarHBondContact OG-N 2.8Å; S79-D81 VanDerWaalsContact OG-N 3.11Å; S79-D81 PolarHBondContact OG-OD2 3.42Å; S79-E82 PolarHBondContact N-OE1 2.97Å; S79-E82 WeakPolarHBondContact O-CB 3.49Å; S79-E82 WeakPolarHBondContact O-CG 3.37Å; S79-E82 PolarHBondContact O-N 3.28Å
80Q96.7Very high96.9Very high115 Ų11542.7 Ų42.754%0.53725%0.254SS..G310 helixtrans-64.4-28.3170.8-173.4175.27.900111.4G44 E82 F83G44-Q80 VanDerWaalsContact CA-N 3.33Å; Q80-E82 PolarHBondContact O-N 3.17Å; Q80-E82 VanDerWaalsContact O-N 3.07Å; Q80-F83 WeakPolarHBondContact O-CD2 3.32Å; Q80-F83 PolarHBondContact O-N 2.75Å; Q80-F83 VanDerWaalsContact O-N 3.13Å
81D96.3Very high96.8Very high74 Ų7445.9 Ų45.940%0.39627%0.273SS..G310 helixtrans-65.5-12.4179.1-60.5-38.2000113S79 F83 V84 H295S79-D81 PolarHBondContact O-N 2.93Å; S79-D81 PolarHBondContact OG-N 2.8Å; S79-D81 VanDerWaalsContact OG-N 3.11Å; S79-D81 PolarHBondContact OG-OD2 3.42Å; D81-F83 VanDerWaalsContact C-N 3.25Å; D81-F83 PolarHBondContact O-N 3.07Å; D81-V84 WeakPolarHBondContact O-CB 3.08Å; D81-V84 WeakPolarHBondContact O-CG2 3.39Å; D81-V84 PolarHBondContact O-N 2.89Å; D81-H295 HydrophobicContact CB-CB 3.82Å
82E97.2Very high96.6Very high5 Ų546.5 Ų46.52%0.02328%0.275CS..G310 helixtrans-73.4-18.2176-59.2-167-125.100113.8A47 L50 T78 S79 Q80 R125 R130 G292A47-E82 HydrophobicContact CB-CB 4.1Å; L50-E82 HydrophobicContact CD1-CB 4.03Å; L50-E82 WeakPolarHBondContact CD1-O 3.49Å; T78-E82 WeakPolarHBondContact CA-OE1 3.43Å; S79-E82 PolarHBondContact N-OE1 2.97Å; S79-E82 WeakPolarHBondContact O-CB 3.49Å; S79-E82 WeakPolarHBondContact O-CG 3.37Å; S79-E82 PolarHBondContact O-N 3.28Å; Q80-E82 PolarHBondContact O-N 3.17Å; Q80-E82 VanDerWaalsContact O-N 3.07Å; E82-R125 VanDerWaalsContact CD-NE 3.32Å; E82-R125 IonicContact OE1-CZ 2.75Å; E82-R125 IonicContact OE1-NE 2.79Å; E82-R125 PolarHBondContact OE1-NE 2.83Å; E82-R125 IonicContact OE1-NH2 2.9Å; E82-R125 PolarHBondContact OE1-NH2 3.45Å; E82-R125 IonicContact OE2-CZ 3.24Å; E82-R125 VanDerWaalsContact OE2-CZ 3.29Å; E82-R125 IonicContact OE2-NE 2.86Å; E82-R125 PolarHBondContact OE2-NE 2.79Å; E82-R125 IonicContact OE2-NH2 3.69Å; E82-R125 PolarHBondContact OE2-NH2 2.91Å; E82-R130 IonicContact OE2-CZ 3.8Å; E82-R130 VanDerWaalsContact OE2-CZ 3.28Å; E82-R130 IonicContact OE2-NH1 3.37Å; E82-R130 PolarHBondContact OE2-NH1 3.25Å; E82-R130 IonicContact OE2-NH2 3.97Å; E82-R130 PolarHBondContact OE2-NH2 3.34Å; E82-G292 WeakPolarHBondContact CG-O 3.46Å; E82-G292 WeakPolarHBondContact O-CA 3.48Å
83F96.2Very high96.4Very high92 Ų9248.2 Ų48.240%0.40429%0.286SS..G310 helixtrans-77.4-12.9171.9-68.8-79.5000112.3S46 A47 L50 Q80 D81 V85S46-F83 VanDerWaalsContact OG-CE2 3.31Å; S46-F83 WeakPolarHBondContact OG-CE2 3.29Å; S46-F83 WeakPolarHBondContact OG-CZ 3.26Å; A47-F83 HydrophobicContact CB-CD2 4.38Å; A47-F83 HydrophobicContact CB-CE2 3.73Å; A47-F83 HydrophobicContact CB-CZ 4.18Å; L50-F83 HydrophobicContact CD1-CD1 3.67Å; L50-F83 HydrophobicContact CD1-CD2 4.4Å; L50-F83 HydrophobicContact CD1-CE1 3.72Å; L50-F83 HydrophobicContact CD1-CE2 4.45Å; L50-F83 HydrophobicContact CD1-CG 4.03Å; L50-F83 HydrophobicContact CD1-CZ 4.12Å; L50-F83 HydrophobicContact CD2-CD1 4.22Å; L50-F83 HydrophobicContact CD2-CE1 3.91Å; L50-F83 HydrophobicContact CG-CD1 4.22Å; L50-F83 HydrophobicContact CG-CE1 3.81Å; L50-F83 HydrophobicContact CG-CZ 4.23Å; Q80-F83 WeakPolarHBondContact O-CD2 3.32Å; Q80-F83 PolarHBondContact O-N 2.75Å; Q80-F83 VanDerWaalsContact O-N 3.13Å; D81-F83 VanDerWaalsContact C-N 3.25Å; D81-F83 PolarHBondContact O-N 3.07Å; F83-V85 PolarHBondContact O-N 3.27Å
84V95.5Very high96.1Very high77 Ų7750.2 Ų50.247%0.46730%0.297SS..  trans-72.1118.9-178.9-179.60000109.9D81 A86D81-V84 WeakPolarHBondContact O-CB 3.08Å; D81-V84 WeakPolarHBondContact O-CG2 3.39Å; D81-V84 PolarHBondContact O-N 2.89Å; V84-A86 PolarHBondContact O-N 3.48Å
85V95.2Very high95.7Very high109 Ų10955 Ų5566%0.66132%0.322SS*.  trans-87.6105.3169.2-177.80000108F83F83-V85 PolarHBondContact O-N 3.27Å
86A95.1Very high95.1Very high24 Ų2456.3 Ų56.320%0.19833%0.328CS..  trans-97.2146.5-178.200000111.9V84 G88 F89 A294V84-A86 PolarHBondContact O-N 3.48Å; A86-G88 PolarHBondContact O-N 3.06Å; A86-F89 HydrophobicContact CB-CD2 3.52Å; A86-F89 HydrophobicContact CB-CE2 3.84Å; A86-F89 HydrophobicContact CB-CG 4.16Å; A86-F89 PolarHBondContact O-N 3.41Å; A86-A294 HydrophobicContact CB-CB 3.64Å
87S95.8Very high94.4Very high124 Ų12459.2 Ų59.287%0.86734%0.342SS*.THydrogen-bonded Turntrans-62.4135.2177.5-174.80000111.8F89S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 WeakPolarHBondContact O-CD2 3.23Å; S87-F89 PolarHBondContact O-N 3.28Å
88G95Very high93.7Very high56 Ų5666.7 Ų66.758%0.57738%0.376SS*.THydrogen-bonded Turntrans78.75.3-178.800000115A86 K289A86-G88 PolarHBondContact O-N 3.06Å; G88-K289 WeakPolarHBondContact O-CB 3.23Å; G88-K289 WeakPolarHBondContact O-CD 3.41Å
89F96.9Very high92.9Very high34 Ų3468.5 Ų68.515%0.14939%0.389CS..  trans-99.3140.7171.9-68.8-109.9000110.7A86 S87 K289 V290 A294 M297A86-F89 HydrophobicContact CB-CD2 3.52Å; A86-F89 HydrophobicContact CB-CE2 3.84Å; A86-F89 HydrophobicContact CB-CG 4.16Å; A86-F89 PolarHBondContact O-N 3.41Å; S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 WeakPolarHBondContact O-CD2 3.23Å; S87-F89 PolarHBondContact O-N 3.28Å; F89-K289 CarbonylContact C-O 3.57Å; F89-K289 WeakPolarHBondContact CA-O 3.41Å; F89-K289 HydrophobicContact CB-CB 4.48Å; F89-K289 WeakPolarHBondContact CB-O 3.13Å; F89-K289 VanDerWaalsContact CD1-CA 3.44Å; F89-K289 HydrophobicContact CD1-CB 3.79Å; F89-K289 HydrophobicContact CD1-CG 4.46Å; F89-K289 HydrophobicContact CD2-CB 4.37Å; F89-K289 HydrophobicContact CE1-CB 4.07Å; F89-K289 HydrophobicContact CE1-CG 4.29Å; F89-K289 HydrophobicContact CE2-CG 4.5Å; F89-K289 HydrophobicContact CG-CB 3.96Å; F89-K289 HydrophobicContact CZ-CB 4.49Å; F89-K289 HydrophobicContact CZ-CG 4.32Å; F89-V290 WeakPolarHBondContact CD1-O 3.3Å; F89-A294 HydrophobicContact CD1-CB 4.18Å; F89-A294 HydrophobicContact CD2-CB 4.39Å; F89-A294 VanDerWaalsContact CE1-CA 3.49Å; F89-A294 HydrophobicContact CE1-CB 3.71Å; F89-A294 HydrophobicContact CE2-CB 3.94Å; F89-A294 HydrophobicContact CZ-CB 3.56Å; F89-M297 HydrophobicContact CE1-CE 3.76Å; F89-M297 HydrophobicContact CE2-CE 4.25Å; F89-M297 HydrophobicContact CZ-CB 4.37Å; F89-M297 HydrophobicContact CZ-CE 3.34Å
90S96.4Very high92.4Very high48 Ų4870.5 Ų70.534%0.33640%0.4SS..BIsolated β-bridgetrans-133.4172.2-177.876.40000112.2D92 P93 K289 V290 Q291S90-D92 VanDerWaalsContact C-N 3.31Å; S90-D92 PolarHBondContact OG-N 2.97Å; S90-D92 PolarHBondContact OG-O 3.28Å; S90-P93 WeakPolarHBondContact OG-CA 3.48Å; S90-K289 PolarHBondContact N-O 3.31Å; S90-V290 CarbonylContact O-C 3.48Å; S90-V290 WeakPolarHBondContact O-CA 3.27Å; S90-Q291 PolarHBondContact O-N 2.89Å
91T95.5Very high91.9Very high67 Ų6766.2 Ų66.241%0.41138%0.381SS..SBendtrans-81.6-10.6173.151.40000113.2Q97 H131T91-Q97 PolarHBondContact O-NE2 2.86Å; T91-H131 HydrophobicContact CG2-CB 4.38Å; T91-H131 WeakPolarHBondContact O-CB 3.21Å
92D94.3Very high91.4Very high34 Ų3465.6 Ų65.618%0.18238%0.381CS..  trans-141.474.5177.1-169.410.3000110.6S90 L94 E95 E96 Q97S90-D92 VanDerWaalsContact C-N 3.31Å; S90-D92 PolarHBondContact OG-N 2.97Å; S90-D92 PolarHBondContact OG-O 3.28Å; D92-L94 PolarHBondContact O-N 3.07Å; D92-E95 PolarHBondContact O-N 2.63Å; D92-E95 PolarHBondContact OD1-N 3.26Å; D92-E95 VanDerWaalsContact OD1-N 3.17Å; D92-E95 VanDerWaalsContact OD2-CA 3.29Å; D92-E95 WeakPolarHBondContact OD2-CA 3.34Å; D92-E96 PolarHBondContact OD1-N 2.7Å; D92-E96 PolarHBondContact OD2-N 2.78Å; D92-E96 VanDerWaalsContact OD2-N 3.1Å; D92-Q97 HydrophobicContact CB-CG 4.08Å; D92-Q97 WeakPolarHBondContact OD2-CB 3.41Å; D92-Q97 VanDerWaalsContact OD2-CG 3.28Å; D92-Q97 WeakPolarHBondContact OD2-CG 3.44Å; D92-Q97 PolarHBondContact OD2-N 2.93Å
93P93.7Very high91Very high36 Ų3665.6 Ų65.623%0.23438%0.382CS..THydrogen-bonded Turntrans-69.2-15.8-173.929.1-37.7000113.9S90 F128 D288 V290S90-P93 WeakPolarHBondContact OG-CA 3.48Å; P93-F128 HydrophobicContact CG-CB 4.19Å; P93-D288 HydrophobicContact CB-CB 4.22Å; P93-D288 HydrophobicContact CG-CB 3.99Å; P93-V290 HydrophobicContact CG-CB 4.04Å
94L92.1Very high90.8Very high44 Ų4461.2 Ų61.223%0.2336%0.363CS..THydrogen-bonded Turntrans-111.91.5-176.8-65.8-170.3000114D92 E96 K107 F128 D288D92-L94 PolarHBondContact O-N 3.07Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 HydrophobicContact CB-CG 3.8Å; L94-K107 PolarHBondContact O-NZ 3.04Å; L94-F128 HydrophobicContact CD1-CD2 3.61Å; L94-F128 HydrophobicContact CD1-CE2 3.46Å; L94-F128 VanDerWaalsContact CD1-CE2 3.46Å; L94-F128 HydrophobicContact CD1-CG 4.26Å; L94-F128 HydrophobicContact CD1-CZ 4Å; L94-F128 HydrophobicContact CG-CD2 4.16Å; L94-F128 HydrophobicContact CG-CE2 4.39Å; L94-D288 WeakPolarHBondContact CD2-OD1 3.29Å
95E89.9Confident90.7Very high167 Ų16758.3 Ų58.378%0.7835%0.345SS*.  trans56.145.3-177-59.9175.3-170.300112.1D92D92-E95 PolarHBondContact O-N 2.63Å; D92-E95 PolarHBondContact OD1-N 3.26Å; D92-E95 VanDerWaalsContact OD1-N 3.17Å; D92-E95 VanDerWaalsContact OD2-CA 3.29Å; D92-E95 WeakPolarHBondContact OD2-CA 3.34Å
96E85.4Confident90.6Very high28 Ų2855.2 Ų55.213%0.13132%0.323CS..  trans-98.9-5.1-175-70.6-167.9159.600113.7D92 L94 H98 L105 F128 R129 F132D92-E96 PolarHBondContact OD1-N 2.7Å; D92-E96 PolarHBondContact OD2-N 2.78Å; D92-E96 VanDerWaalsContact OD2-N 3.1Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 HydrophobicContact CB-CG 3.8Å; E96-H98 PolarHBondContact O-N 3.23Å; E96-L105 HydrophobicContact CB-CD1 3.82Å; E96-L105 HydrophobicContact CG-CD1 3.84Å; E96-L105 WeakPolarHBondContact O-CD2 3.37Å; E96-F128 WeakPolarHBondContact OE2-CE2 2.95Å; E96-R129 IonicContact OE1-NH2 3.83Å; E96-R129 IonicContact OE2-CZ 3.69Å; E96-R129 VanDerWaalsContact OE2-CZ 3.24Å; E96-R129 IonicContact OE2-NE 3.19Å; E96-R129 PolarHBondContact OE2-NE 2.93Å; E96-R129 IonicContact OE2-NH2 2.75Å; E96-R129 PolarHBondContact OE2-NH2 3.06Å; E96-F132 HydrophobicContact CB-CE2 4.44Å; E96-F132 WeakPolarHBondContact O-CE2 3.43Å
97Q84.1Confident90.4Very high62 Ų6260.9 Ų60.929%0.2934%0.343SS..SBendtrans-71.7-9.6-179.4-66.8-177.713.900113.5T91 D92 F132 P133T91-Q97 PolarHBondContact O-NE2 2.86Å; D92-Q97 HydrophobicContact CB-CG 4.08Å; D92-Q97 WeakPolarHBondContact OD2-CB 3.41Å; D92-Q97 VanDerWaalsContact OD2-CG 3.28Å; D92-Q97 WeakPolarHBondContact OD2-CG 3.44Å; D92-Q97 PolarHBondContact OD2-N 2.93Å; Q97-F132 HydrophobicContact CG-CD2 4.37Å; Q97-P133 HydrophobicContact CG-CG 4.42Å
98H81.8Confident90.3Very high171 Ų17160.9 Ų60.979%0.79233%0.325SS*.  trans-107.398.3177.1-61.4-52.2000111.7E96E96-H98 PolarHBondContact O-N 3.23Å
99S81.2Confident90.2Very high40 Ų4065.2 Ų65.228%0.2833%0.33SS..  trans-91.5146.2179.960.80000113.2V101 L104S99-V101 VanDerWaalsContact C-N 3.33Å; S99-V101 WeakPolarHBondContact CB-O 3.4Å; S99-V101 PolarHBondContact O-N 2.87Å; S99-V101 PolarHBondContact OG-O 3.36Å; S99-L104 WeakPolarHBondContact CB-O 3.46Å
100V85.1Confident90.2Very high74 Ų7465.8 Ų65.845%0.44834%0.335SS..SBendtrans-67.5-35.4177.9-67.70000112.2L104 H106 Y150V100-L104 HydrophobicContact CG2-CB 4.39Å; V100-L104 HydrophobicContact CG2-CD2 4.13Å; V100-L104 HydrophobicContact CG2-CG 4.34Å; V100-L104 WeakPolarHBondContact CG2-O 3.46Å; V100-L104 PolarHBondContact N-O 2.85Å; V100-L104 VanDerWaalsContact N-O 3.13Å; V100-H106 HydrophobicContact CG1-CB 4.33Å; V100-H106 HydrophobicContact CG2-CB 4.04Å; V100-Y150 HydrophobicContact CB-CE2 4.27Å; V100-Y150 HydrophobicContact CG2-CE1 4.12Å; V100-Y150 HydrophobicContact CG2-CE2 4.06Å
101V88Confident90.3Very high25 Ų2566.7 Ų66.715%0.15233%0.331CS..BIsolated β-bridgetrans-139.3156163.5-63.60000107.4S99 G103 L104 T146 A147 Y150S99-V101 VanDerWaalsContact C-N 3.33Å; S99-V101 WeakPolarHBondContact CB-O 3.4Å; S99-V101 PolarHBondContact O-N 2.87Å; S99-V101 PolarHBondContact OG-O 3.36Å; V101-G103 PolarHBondContact O-N 3.06Å; V101-G103 VanDerWaalsContact O-N 3.08Å; V101-L104 HydrophobicContact CG2-CB 3.46Å; V101-L104 VanDerWaalsContact CG2-CB 3.46Å; V101-L104 HydrophobicContact CG2-CD2 3.78Å; V101-L104 HydrophobicContact CG2-CG 4.27Å; V101-L104 PolarHBondContact O-N 2.91Å; V101-T146 HydrophobicContact CB-CG2 4.23Å; V101-T146 HydrophobicContact CG1-CG2 4.34Å; V101-A147 HydrophobicContact CG2-CB 4.28Å; V101-Y150 HydrophobicContact CG1-CD2 4.15Å
102P85.5Confident90.4Very high61 Ų6163.5 Ų63.540%0.39631%0.311SS..THydrogen-bonded Turntrans-49.4119.6-176.1-29.436000112.6
103G87.7Confident90.5Very high4 Ų463.2 Ų63.24%0.04131%0.309CS..THydrogen-bonded Turntrans79.63.6-179.800000116.6V101 L115 N137V101-G103 PolarHBondContact O-N 3.06Å; V101-G103 VanDerWaalsContact O-N 3.08Å; G103-L115 PolarHBondContact O-N 2.99Å; G103-N137 PolarHBondContact N-OD1 3.37Å
104L93.5Very high90.6Very high0 Ų061.6 Ų61.60%030%0.299CS..EExtended strand (participates in β ladder)trans-118.1123.2176.4-168.875.7000111.7S99 V100 V101 A112 L113 L114 A147 Y150 V151 M160S99-L104 WeakPolarHBondContact CB-O 3.46Å; V100-L104 HydrophobicContact CG2-CB 4.39Å; V100-L104 HydrophobicContact CG2-CD2 4.13Å; V100-L104 HydrophobicContact CG2-CG 4.34Å; V100-L104 WeakPolarHBondContact CG2-O 3.46Å; V100-L104 PolarHBondContact N-O 2.85Å; V100-L104 VanDerWaalsContact N-O 3.13Å; V101-L104 HydrophobicContact CG2-CB 3.46Å; V101-L104 VanDerWaalsContact CG2-CB 3.46Å; V101-L104 HydrophobicContact CG2-CD2 3.78Å; V101-L104 HydrophobicContact CG2-CG 4.27Å; V101-L104 PolarHBondContact O-N 2.91Å; L104-A112 HydrophobicContact CD1-CB 3.98Å; L104-A112 HydrophobicContact CG-CB 4.37Å; L104-L113 CarbonylContact C-O 3.53Å; L104-L113 WeakPolarHBondContact CA-O 3.05Å; L104-L114 HydrophobicContact CD1-CB 4.19Å; L104-L114 HydrophobicContact CD1-CD1 4.23Å; L104-A147 HydrophobicContact CB-CB 4.09Å; L104-A147 HydrophobicContact CD1-CB 4.24Å; L104-A147 HydrophobicContact CD2-CB 4.34Å; L104-A147 HydrophobicContact CG-CB 4.46Å; L104-Y150 HydrophobicContact CD2-CD1 3.25Å; L104-Y150 HydrophobicContact CD2-CE1 3.87Å; L104-Y150 HydrophobicContact CD2-CG 3.8Å; L104-V151 HydrophobicContact CD1-CG2 4.45Å; L104-V151 HydrophobicContact CD2-CG2 4.28Å; L104-M160 HydrophobicContact CD1-CE 4Å
105L92.8Very high90.7Very high17 Ų1759.6 Ų59.69%0.08929%0.289CS..EExtended strand (participates in β ladder)trans-107.4124.2174.4-57.4177000109.6E96 A112 L113E96-L105 HydrophobicContact CB-CD1 3.82Å; E96-L105 HydrophobicContact CG-CD1 3.84Å; E96-L105 WeakPolarHBondContact O-CD2 3.37Å; L105-A112 WeakPolarHBondContact O-CA 3.31Å; L105-L113 HydrophobicContact CB-CB 4.34Å; L105-L113 HydrophobicContact CD1-CD2 4.09Å; L105-L113 HydrophobicContact CG-CD2 4.42Å; L105-L113 PolarHBondContact N-O 3.16Å; L105-L113 PolarHBondContact O-N 3.14Å
106H93.8Very high91Very high44 Ų4451.7 Ų51.720%0.20425%0.251CS..EExtended strand (participates in β ladder)trans-12381.7178.4-172.8-170.1000110V100 Y108 H109 R111 A112 Y150 E156 L157V100-H106 HydrophobicContact CG1-CB 4.33Å; V100-H106 HydrophobicContact CG2-CB 4.04Å; H106-Y108 PolarHBondContact CD2-O 3.16Å; H106-Y108 PolarHBondContact NE2-O 2.76Å; H106-Y108 VanDerWaalsContact NE2-O 3.08Å; H106-H109 PolarHBondContact NE2-O 2.78Å; H106-R111 PolarHBondContact CD2-O 2.95Å; H106-A112 HydrophobicContact CB-CB 4.39Å; H106-Y150 HydrophobicContact CB-CE1 4.3Å; H106-Y150 AromaticContact ND1-CE1 3.57Å; H106-Y150 AromaticContact ND1-CZ 3.7Å; H106-Y150 PolarHBondContact ND1-OH 2.77Å; H106-E156 IonicContact CE1-OE1 3.77Å; H106-L157 WeakPolarHBondContact NE2-CD2 3.33Å
107K90.2Very high91.5Very high142 Ų14252.4 Ų52.462%0.61725%0.254SS*.EExtended strand (participates in β ladder)trans-94.3-24.6-177.3-171.7170-174.6165.90113.6L94L94-K107 PolarHBondContact O-NZ 3.04Å
108Y92.8Very high91.8Very high125 Ų12550.7 Ų50.749%0.4925%0.253SS..EExtended strand (participates in β ladder)trans-121.3142-174.9-63.4-70000110.6H106 N110 R111H106-Y108 PolarHBondContact CD2-O 3.16Å; H106-Y108 PolarHBondContact NE2-O 2.76Å; H106-Y108 VanDerWaalsContact NE2-O 3.08Å; Y108-N110 VanDerWaalsContact C-N 3.34Å; Y108-N110 PolarHBondContact O-N 2.84Å; Y108-N110 VanDerWaalsContact O-N 3.14Å; Y108-R111 VanDerWaalsContact CB-CZ 3.48Å; Y108-R111 HydrophobicContact CD2-CG 4.23Å; Y108-R111 VanDerWaalsContact CD2-NE 3.3Å; Y108-R111 HydrophobicContact CG-CG 4.35Å; Y108-R111 PolarHBondContact O-N 3.33Å
109H94.3Very high92.3Very high146 Ų14644.4 Ų44.468%0.67623%0.234SC*.THydrogen-bonded Turntrans-49.3-45.5-171-179.653.5000115.6H106 E156H106-H109 PolarHBondContact NE2-O 2.78Å; H109-E156 WeakPolarHBondContact O-CG 3.33Å
110N97Very high93.1Very high46 Ų4643.8 Ų43.825%0.24623%0.23CC..THydrogen-bonded Turntrans-105.78.5-171.376-50.6000114.3Y108 E156 D158 E159Y108-N110 VanDerWaalsContact C-N 3.34Å; Y108-N110 PolarHBondContact O-N 2.84Å; Y108-N110 VanDerWaalsContact O-N 3.14Å; N110-E156 WeakPolarHBondContact CA-O 3.21Å; N110-D158 PolarHBondContact ND2-OD1 3.3Å; N110-D158 PolarHBondContact O-N 3.32Å; N110-E159 PolarHBondContact O-N 3.25Å
111R97.6Very high93.6Very high67 Ų6740.3 Ų40.325%0.25321%0.209SC..EExtended strand (participates in β ladder)trans-150139.7-174.662.1-171.7175.4-88.63.1113.6H106 Y108 E159H106-R111 PolarHBondContact CD2-O 2.95Å; Y108-R111 VanDerWaalsContact CB-CZ 3.48Å; Y108-R111 HydrophobicContact CD2-CG 4.23Å; Y108-R111 VanDerWaalsContact CD2-NE 3.3Å; Y108-R111 HydrophobicContact CG-CG 4.35Å; Y108-R111 PolarHBondContact O-N 3.33Å; R111-E159 VanDerWaalsContact CA-O 3.26Å; R111-E159 WeakPolarHBondContact CA-O 3.49Å; R111-E159 HydrophobicContact CB-CB 4.05Å; R111-E159 HydrophobicContact CB-CG 4.41Å; R111-E159 WeakPolarHBondContact CB-O 3.44Å
112A97.3Very high94.1Very high1 Ų139.4 Ų39.41%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-124147.1176.700000111.3L104 L105 H106 L157 E159 M160 I161L104-A112 HydrophobicContact CD1-CB 3.98Å; L104-A112 HydrophobicContact CG-CB 4.37Å; L105-A112 WeakPolarHBondContact O-CA 3.31Å; H106-A112 HydrophobicContact CB-CB 4.39Å; A112-L157 HydrophobicContact CB-CD1 4.17Å; A112-L157 HydrophobicContact CB-CD2 4.11Å; A112-E159 PolarHBondContact N-O 2.88Å; A112-M160 HydrophobicContact CB-SD 3.97Å; A112-I161 PolarHBondContact O-N 3.14Å
113L96.5Very high94.7Very high27 Ų2737.3 Ų37.314%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-107.1121.9179.6179159.9000110.1L104 L105 L115 I161L104-L113 CarbonylContact C-O 3.53Å; L104-L113 WeakPolarHBondContact CA-O 3.05Å; L105-L113 HydrophobicContact CB-CB 4.34Å; L105-L113 HydrophobicContact CD1-CD2 4.09Å; L105-L113 HydrophobicContact CG-CD2 4.42Å; L105-L113 PolarHBondContact N-O 3.16Å; L105-L113 PolarHBondContact O-N 3.14Å; L113-L115 HydrophobicContact CD2-CD2 3.47Å; L113-L115 VanDerWaalsContact CD2-CD2 3.47Å; L113-L115 HydrophobicContact CD2-CG 4.16Å; L113-I161 CarbonylContact C-O 3.44Å; L113-I161 WeakPolarHBondContact CA-O 3.36Å; L113-I161 HydrophobicContact CB-CB 4.14Å; L113-I161 HydrophobicContact CD1-CG2 4.24Å; L113-I161 HydrophobicContact CG-CB 4.34Å; L113-I161 HydrophobicContact CG-CG2 4.21Å
114L96.4Very high95.2Very high2 Ų237.8 Ų37.81%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-101.6124.8176.1-177.664.4000110.4L104 V116 A147 M160 I161 F162 S163 L178L104-L114 HydrophobicContact CD1-CB 4.19Å; L104-L114 HydrophobicContact CD1-CD1 4.23Å; L114-V116 HydrophobicContact CD2-CG2 4.31Å; L114-V116 HydrophobicContact CG-CG2 4.28Å; L114-V116 PolarHBondContact O-N 3.15Å; L114-V116 VanDerWaalsContact O-N 3.14Å; L114-A147 HydrophobicContact CD1-CB 3.54Å; L114-M160 HydrophobicContact CB-CE 3.88Å; L114-I161 PolarHBondContact N-O 2.94Å; L114-F162 HydrophobicContact CB-CD1 4.22Å; L114-F162 HydrophobicContact CB-CE1 4.49Å; L114-F162 HydrophobicContact CD2-CD1 4.3Å; L114-F162 HydrophobicContact CD2-CE1 3.88Å; L114-S163 CarbonylContact O-C 3.59Å; L114-S163 PolarHBondContact O-N 3.32Å; L114-L178 HydrophobicContact CD2-CD2 4.07Å
115L94.6Very high95.4Very high3 Ų337.9 Ų37.92%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-78.691.4171.3-54.6179.3000109G103 L113 F132 N137G103-L115 PolarHBondContact O-N 2.99Å; L113-L115 HydrophobicContact CD2-CD2 3.47Å; L113-L115 VanDerWaalsContact CD2-CD2 3.47Å; L113-L115 HydrophobicContact CD2-CG 4.16Å; L115-F132 HydrophobicContact CD1-CE1 3.44Å; L115-F132 VanDerWaalsContact CD1-CE1 3.44Å; L115-F132 HydrophobicContact CD1-CE2 4.26Å; L115-F132 HydrophobicContact CD1-CZ 3.3Å; L115-N137 HydrophobicContact CD1-CB 4.19Å
116V96.3Very high95.6Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-71-42.5-174.1178.60000111.1L114 G139 W144 F162 S163 P167 A170 L178L114-V116 HydrophobicContact CD2-CG2 4.31Å; L114-V116 HydrophobicContact CG-CG2 4.28Å; L114-V116 PolarHBondContact O-N 3.15Å; L114-V116 VanDerWaalsContact O-N 3.14Å; V116-G139 WeakPolarHBondContact O-CA 3.4Å; V116-W144 HydrophobicContact CG1-CZ2 4.15Å; V116-W144 VanDerWaalsContact O-CZ2 3.26Å; V116-W144 WeakPolarHBondContact O-CZ2 3.42Å; V116-W144 PolarHBondContact O-NE1 2.93Å; V116-F162 HydrophobicContact CG2-CB 3.75Å; V116-F162 HydrophobicContact CG2-CD1 3.72Å; V116-F162 HydrophobicContact CG2-CD2 3.94Å; V116-F162 HydrophobicContact CG2-CE1 4.3Å; V116-F162 HydrophobicContact CG2-CE2 4.5Å; V116-F162 HydrophobicContact CG2-CG 3.52Å; V116-S163 PolarHBondContact N-O 2.84Å; V116-P167 HydrophobicContact CB-CB 3.97Å; V116-P167 HydrophobicContact CG2-CB 4.12Å; V116-A170 HydrophobicContact CG1-CB 3.82Å; V116-L178 HydrophobicContact CG1-CD1 3.71Å; V116-L178 HydrophobicContact CG2-CD1 4.32Å
117K94.8Very high95.8Very high44 Ų4436.7 Ų36.719%0.19119%0.188CC..EExtended strand (participates in β ladder)trans-142.3148.8175.7-71.1-62.2-177.6-171.30110.5G139 G164 G165 M169 A170 E174K117-G139 PolarHBondContact NZ-O 2.83Å; K117-G164 CarbonylContact O-C 3.5Å; K117-G164 VanDerWaalsContact O-CA 3.26Å; K117-G164 WeakPolarHBondContact O-CA 3.17Å; K117-G165 PolarHBondContact O-N 3.08Å; K117-M169 HydrophobicContact CB-CB 4.07Å; K117-M169 HydrophobicContact CG-CB 4.1Å; K117-A170 HydrophobicContact CG-CB 4.06Å; K117-E174 VanDerWaalsContact CE-OE2 3.28Å; K117-E174 WeakPolarHBondContact CE-OE2 3.33Å; K117-E174 IonicContact NZ-OE1 3.28Å; K117-E174 PolarHBondContact NZ-OE1 3.3Å; K117-E174 IonicContact NZ-OE2 3.46Å; K117-E174 PolarHBondContact NZ-OE2 2.89Å
118G91.8Very high96.1Very high25 Ų2532.8 Ų32.826%0.25817%0.172SC..SBendtrans-89.2-18.8176.900000115.5
119G92.3Very high96.1Very high39 Ų3927.5 Ų27.540%0.40215%0.151SC..  trans-85.3155.8-179.100000113.3D166 M169G119-D166 PolarHBondContact O-N 3.4Å; G119-M169 WeakPolarHBondContact O-CG 3.46Å
120C96.1Very high96.2Very high27 Ų2721.4 Ų21.418%0.18212%0.122CC..  trans-123150168.4-61.60000110.7R54 V122 G165R54-C120 PolarHBondContact NE-O 2.82Å; R54-C120 VanDerWaalsContact NE-O 3.16Å; C120-V122 VanDerWaalsContact C-N 3.33Å; C120-V122 WeakPolarHBondContact CB-O 3.49Å; C120-G165 WeakPolarHBondContact SG-CA 3.48Å; C120-G165 PolarHBondContact SG-O 3.23Å; C120-G165 VanDerWaalsContact SG-O 3.37Å
121A96.4Very high96Very high2 Ų222 Ų222%0.01712%0.123CC..SBendtrans-74-28.4167.500000112.4L19 P56 M169 L197 V200 I201L19-A121 HydrophobicContact CD1-CB 3.59Å; P56-A121 WeakPolarHBondContact CD-O 3.45Å; P56-A121 HydrophobicContact CG-CB 4.17Å; A121-M169 HydrophobicContact CB-SD 4.18Å; A121-L197 HydrophobicContact CB-CD1 3.34Å; A121-V200 HydrophobicContact CB-CG2 4.11Å; A121-I201 HydrophobicContact CB-CD1 4.02Å
122V98Very high95.8Very high5 Ų519.6 Ų19.63%0.0311%0.114CC..SBendtrans-127.4132.9177.862.50000110.6R54 V76 C120 R196 V200R54-V122 VanDerWaalsContact O-CA 3.3Å; R54-V122 WeakPolarHBondContact O-CA 3.28Å; V76-V122 HydrophobicContact CG1-CG2 3.66Å; C120-V122 VanDerWaalsContact C-N 3.33Å; C120-V122 WeakPolarHBondContact CB-O 3.49Å; V122-R196 HydrophobicContact CG1-CG 4.21Å; V122-V200 HydrophobicContact CB-CB 4.47Å; V122-V200 HydrophobicContact CB-CG1 4Å; V122-V200 HydrophobicContact CB-CG2 4.2Å; V122-V200 HydrophobicContact CG1-CB 4.36Å; V122-V200 HydrophobicContact CG1-CG1 3.68Å; V122-V200 HydrophobicContact CG1-CG2 3.89Å; V122-V200 HydrophobicContact CG2-CG1 4.38Å
123N97.8Very high95.4Very high18 Ų1821 Ų2110%0.09612%0.123CC..  trans-100.890.4176.5-861.8000110.4F51 A52 R54 R125F51-N123 HydrophobicContact CD1-CB 4.14Å; F51-N123 HydrophobicContact CE1-CB 3.48Å; F51-N123 VanDerWaalsContact CE1-CB 3.48Å; F51-N123 HydrophobicContact CE2-CB 4.49Å; F51-N123 HydrophobicContact CZ-CB 3.68Å; A52-N123 VanDerWaalsContact O-CB 3.23Å; A52-N123 WeakPolarHBondContact O-CB 3.48Å; A52-N123 PolarHBondContact O-ND2 3.48Å; R54-N123 HydrophobicContact CB-CB 4.28Å; R54-N123 PolarHBondContact O-N 3.47Å; R54-N123 VanDerWaalsContact O-N 3.1Å; N123-R125 PolarHBondContact O-N 3.49Å
124C98.3Very high95Very high14 Ų1422.2 Ų22.210%0.09513%0.126CC..  trans-61.5127.2178.4-40.20000110.3F51 Q75 Y126 C127 R196F51-C124 WeakPolarHBondContact CE1-O 3.39Å; Q75-C124 WeakPolarHBondContact O-CA 3.36Å; C124-Y126 HydrophobicContact CB-CD1 4.02Å; C124-Y126 HydrophobicContact CB-CE1 3.64Å; C124-Y126 HydrophobicContact CB-CE2 4.32Å; C124-Y126 HydrophobicContact CB-CG 4.48Å; C124-Y126 PolarHBondContact O-N 2.81Å; C124-Y126 VanDerWaalsContact O-N 3.14Å; C124-C127 HydrophobicContact CB-CB 4.35Å; C124-C127 WeakPolarHBondContact O-CB 3.44Å; C124-C127 PolarHBondContact O-N 3.08Å; C124-R196 PolarHBondContact SG-NH1 3.08Å
125R98.2Very high94.5Very high1 Ų126 Ų260%0.00416%0.158CC..THydrogen-bonded Turntrans-65.1-20.8-177.1-58.8-39.9-61.4180-8.3113.9F51 Q75 V76 L77 E82 N123 R130 F296F51-R125 PolarHBondContact O-NH1 3.45Å; F51-R125 PolarHBondContact O-NH2 3.01Å; F51-R125 VanDerWaalsContact O-NH2 3.14Å; Q75-R125 PolarHBondContact O-N 3.13Å; V76-R125 WeakPolarHBondContact O-CD 3.26Å; L77-R125 VanDerWaalsContact O-CG 3.22Å; L77-R125 WeakPolarHBondContact O-CG 3.22Å; E82-R125 VanDerWaalsContact CD-NE 3.32Å; E82-R125 IonicContact OE1-CZ 2.75Å; E82-R125 IonicContact OE1-NE 2.79Å; E82-R125 PolarHBondContact OE1-NE 2.83Å; E82-R125 IonicContact OE1-NH2 2.9Å; E82-R125 PolarHBondContact OE1-NH2 3.45Å; E82-R125 IonicContact OE2-CZ 3.24Å; E82-R125 VanDerWaalsContact OE2-CZ 3.29Å; E82-R125 IonicContact OE2-NE 2.86Å; E82-R125 PolarHBondContact OE2-NE 2.79Å; E82-R125 IonicContact OE2-NH2 3.69Å; E82-R125 PolarHBondContact OE2-NH2 2.91Å; N123-R125 PolarHBondContact O-N 3.49Å; R125-R130 PolarHBondContact O-NH1 3.12Å; R125-F296 HydrophobicContact CB-CE2 3.74Å; R125-F296 HydrophobicContact CB-CZ 4.14Å
126Y98Very high94Very high8 Ų833.1 Ų33.13%0.03119%0.191CC..THydrogen-bonded Turntrans-94.211.6176.366.1-92.6000113.6Q75 C124 F128 R196 H225 N227 V255 L257Q75-Y126 HydrophobicContact CB-CE1 4.14Å; Q75-Y126 HydrophobicContact CG-CE1 4.17Å; C124-Y126 HydrophobicContact CB-CD1 4.02Å; C124-Y126 HydrophobicContact CB-CE1 3.64Å; C124-Y126 HydrophobicContact CB-CE2 4.32Å; C124-Y126 HydrophobicContact CB-CG 4.48Å; C124-Y126 PolarHBondContact O-N 2.81Å; C124-Y126 VanDerWaalsContact O-N 3.14Å; Y126-F128 PolarHBondContact O-N 3.44Å; Y126-F128 VanDerWaalsContact O-N 3.17Å; Y126-R196 VanDerWaalsContact OH-CZ 3.27Å; Y126-R196 PolarHBondContact OH-NH1 3.16Å; Y126-H225 AromaticContact CE2-CE1 3.59Å; Y126-H225 AromaticContact CE2-NE2 3.43Å; Y126-H225 WeakPolarHBondContact CE2-NE2 3.48Å; Y126-H225 AromaticContact CZ-CE1 3.98Å; Y126-H225 AromaticContact CZ-NE2 3.67Å; Y126-H225 PolarHBondContact OH-CE1 3.42Å; Y126-H225 PolarHBondContact OH-NE2 2.83Å; Y126-N227 PolarHBondContact OH-ND2 2.85Å; Y126-V255 HydrophobicContact CD2-CB 4.33Å; Y126-V255 HydrophobicContact CD2-CG1 4.49Å; Y126-V255 HydrophobicContact CD2-CG2 4.17Å; Y126-V255 HydrophobicContact CE2-CB 4.22Å; Y126-V255 HydrophobicContact CE2-CG2 3.86Å; Y126-L257 HydrophobicContact CD1-CD1 3.51Å; Y126-L257 HydrophobicContact CD1-CD2 4.11Å; Y126-L257 HydrophobicContact CD1-CG 4.48Å; Y126-L257 HydrophobicContact CD2-CD1 4.25Å; Y126-L257 HydrophobicContact CD2-CD2 4.05Å; Y126-L257 HydrophobicContact CE1-CD1 3.62Å; Y126-L257 HydrophobicContact CE2-CD1 4.35Å; Y126-L257 HydrophobicContact CG-CD1 3.87Å; Y126-L257 HydrophobicContact CG-CD2 3.67Å; Y126-L257 HydrophobicContact CG-CG 4.42Å
127C97.5Very high93.4Very high28 Ų2833.6 Ų33.619%0.18919%0.194CC..  trans-63.9114.8-176.3-178.40000112.5F51 C124 R129 R130F51-C127 HydrophobicContact CE1-CB 4.25Å; F51-C127 HydrophobicContact CZ-CB 4.37Å; C124-C127 HydrophobicContact CB-CB 4.35Å; C124-C127 WeakPolarHBondContact O-CB 3.44Å; C124-C127 PolarHBondContact O-N 3.08Å; C127-R129 PolarHBondContact O-N 3Å; C127-R129 PolarHBondContact SG-N 3.31Å; C127-R130 HydrophobicContact CB-CB 4.27Å; C127-R130 WeakPolarHBondContact O-CB 3.44Å; C127-R130 VanDerWaalsContact O-CG 3.27Å; C127-R130 WeakPolarHBondContact O-CG 3.49Å; C127-R130 PolarHBondContact O-N 3.04Å; C127-R130 VanDerWaalsContact O-N 3.1Å
128F95.1Very high92.8Very high61 Ų6136.7 Ų36.727%0.26821%0.209SC..THydrogen-bonded Turntrans-65-21.4177.375.8-95.3000113.6P93 L94 E96 Y126 D288P93-F128 HydrophobicContact CG-CB 4.19Å; L94-F128 HydrophobicContact CD1-CD2 3.61Å; L94-F128 HydrophobicContact CD1-CE2 3.46Å; L94-F128 VanDerWaalsContact CD1-CE2 3.46Å; L94-F128 HydrophobicContact CD1-CG 4.26Å; L94-F128 HydrophobicContact CD1-CZ 4Å; L94-F128 HydrophobicContact CG-CD2 4.16Å; L94-F128 HydrophobicContact CG-CE2 4.39Å; E96-F128 WeakPolarHBondContact OE2-CE2 2.95Å; Y126-F128 PolarHBondContact O-N 3.44Å; Y126-F128 VanDerWaalsContact O-N 3.17Å; F128-D288 HydrophobicContact CB-CB 3.69Å; F128-D288 HydrophobicContact CG-CB 4.5Å
129R94.3Very high92.6Very high13 Ų1336.1 Ų36.15%0.04920%0.203CC..THydrogen-bonded Turntrans-95.915.5174.3-63.3-164.9176.1144.4-0114.5E96 C127 H131 F132 Y134 S163 G164E96-R129 IonicContact OE1-NH2 3.83Å; E96-R129 IonicContact OE2-CZ 3.69Å; E96-R129 VanDerWaalsContact OE2-CZ 3.24Å; E96-R129 IonicContact OE2-NE 3.19Å; E96-R129 PolarHBondContact OE2-NE 2.93Å; E96-R129 IonicContact OE2-NH2 2.75Å; E96-R129 PolarHBondContact OE2-NH2 3.06Å; C127-R129 PolarHBondContact O-N 3Å; C127-R129 PolarHBondContact SG-N 3.31Å; R129-H131 PolarHBondContact O-N 3.42Å; R129-H131 VanDerWaalsContact O-N 3.1Å; R129-F132 HydrophobicContact CB-CB 3.93Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.31Å; R129-F132 PolarHBondContact O-N 3.41Å; R129-Y134 WeakPolarHBondContact CB-OH 3.49Å; R129-S163 PolarHBondContact NH1-OG 2.8Å; R129-G164 PolarHBondContact NH1-O 2.89Å
130R95.1Very high92.5Very high18 Ų1836.7 Ų36.77%0.06820%0.197CC..THydrogen-bonded Turntrans-59.8-22.9-179.667.6-175.5-70.2166.2-2.9113.9F51 E82 R125 C127 V290 G292F51-R130 HydrophobicContact CD1-CB 4.13Å; F51-R130 HydrophobicContact CD2-CB 3.86Å; F51-R130 HydrophobicContact CE1-CB 4.12Å; F51-R130 HydrophobicContact CE2-CB 3.87Å; F51-R130 HydrophobicContact CG-CB 4.01Å; F51-R130 HydrophobicContact CZ-CB 4.01Å; E82-R130 IonicContact OE2-CZ 3.8Å; E82-R130 VanDerWaalsContact OE2-CZ 3.28Å; E82-R130 IonicContact OE2-NH1 3.37Å; E82-R130 PolarHBondContact OE2-NH1 3.25Å; E82-R130 IonicContact OE2-NH2 3.97Å; E82-R130 PolarHBondContact OE2-NH2 3.34Å; R125-R130 PolarHBondContact O-NH1 3.12Å; C127-R130 HydrophobicContact CB-CB 4.27Å; C127-R130 WeakPolarHBondContact O-CB 3.44Å; C127-R130 VanDerWaalsContact O-CG 3.27Å; C127-R130 WeakPolarHBondContact O-CG 3.49Å; C127-R130 PolarHBondContact O-N 3.04Å; C127-R130 VanDerWaalsContact O-N 3.1Å; R130-V290 HydrophobicContact CG-CG2 3.88Å; R130-G292 PolarHBondContact NH1-O 3.24Å
131H93.9Very high92.2Very high58 Ų5841.2 Ų41.227%0.26921%0.213SC..THydrogen-bonded Turntrans-105.78.2178.1-56.7-65000113.4T91 R129 Q291T91-H131 HydrophobicContact CG2-CB 4.38Å; T91-H131 WeakPolarHBondContact O-CB 3.21Å; R129-H131 PolarHBondContact O-N 3.42Å; R129-H131 VanDerWaalsContact O-N 3.1Å; H131-Q291 PolarHBondContact NE2-O 2.93Å
132F92.2Very high92Very high18 Ų1850.8 Ų50.88%0.07925%0.249CC..  trans-69.3136.2-175.5-171.1-87.1000111.8E96 Q97 L115 R129 Y134 N137E96-F132 HydrophobicContact CB-CE2 4.44Å; E96-F132 WeakPolarHBondContact O-CE2 3.43Å; Q97-F132 HydrophobicContact CG-CD2 4.37Å; L115-F132 HydrophobicContact CD1-CE1 3.44Å; L115-F132 VanDerWaalsContact CD1-CE1 3.44Å; L115-F132 HydrophobicContact CD1-CE2 4.26Å; L115-F132 HydrophobicContact CD1-CZ 3.3Å; R129-F132 HydrophobicContact CB-CB 3.93Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.31Å; R129-F132 PolarHBondContact O-N 3.41Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 HydrophobicContact CB-CD2 4.3Å; F132-Y134 HydrophobicContact CB-CE2 3.87Å; F132-Y134 AromaticContact CD1-CD1 3.55Å; F132-Y134 HydrophobicContact CD1-CD1 3.55Å; F132-Y134 HydrophobicContact CD1-CD2 4.2Å; F132-Y134 AromaticContact CD1-CE1 3.58Å; F132-Y134 HydrophobicContact CD1-CE1 3.58Å; F132-Y134 HydrophobicContact CD1-CE2 4.22Å; F132-Y134 AromaticContact CD1-CG 3.9Å; F132-Y134 HydrophobicContact CD1-CG 3.9Å; F132-Y134 AromaticContact CD1-CZ 3.93Å; F132-Y134 HydrophobicContact CE1-CD1 4.05Å; F132-Y134 HydrophobicContact CE1-CE1 4.2Å; F132-Y134 HydrophobicContact CG-CE1 4.3Å; F132-Y134 HydrophobicContact CG-CE2 4.48Å; F132-Y134 WeakPolarHBondContact O-CD2 3.42Å; F132-Y134 PolarHBondContact O-N 3.42Å; F132-N137 HydrophobicContact CE1-CB 3.85Å; F132-N137 HydrophobicContact CZ-CB 4.39Å
133P89.9Confident91.7Very high30 Ų3051.9 Ų51.920%0.19526%0.255CS..  trans-78.270-176.932.6-36.1000112.1Q97 A135 E136 N137Q97-P133 HydrophobicContact CG-CG 4.42Å; P133-A135 PolarHBondContact O-N 2.92Å; P133-E136 HydrophobicContact CB-CB 4.43Å; P133-E136 HydrophobicContact CB-CG 4.37Å; P133-E136 PolarHBondContact O-N 3.16Å; P133-E136 VanDerWaalsContact O-N 3.09Å; P133-N137 PolarHBondContact O-N 2.83Å; P133-N137 PolarHBondContact O-ND2 3.34Å
134Y88.1Confident91.6Very high53 Ų5351.4 Ų51.421%0.20825%0.252CS..THydrogen-bonded Turntrans-61.8-25-178.7-70.9-66.5000114.2R129 F132 E136 N137 G164 G165R129-Y134 WeakPolarHBondContact CB-OH 3.49Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 HydrophobicContact CB-CD2 4.3Å; F132-Y134 HydrophobicContact CB-CE2 3.87Å; F132-Y134 AromaticContact CD1-CD1 3.55Å; F132-Y134 HydrophobicContact CD1-CD1 3.55Å; F132-Y134 HydrophobicContact CD1-CD2 4.2Å; F132-Y134 AromaticContact CD1-CE1 3.58Å; F132-Y134 HydrophobicContact CD1-CE1 3.58Å; F132-Y134 HydrophobicContact CD1-CE2 4.22Å; F132-Y134 AromaticContact CD1-CG 3.9Å; F132-Y134 HydrophobicContact CD1-CG 3.9Å; F132-Y134 AromaticContact CD1-CZ 3.93Å; F132-Y134 HydrophobicContact CE1-CD1 4.05Å; F132-Y134 HydrophobicContact CE1-CE1 4.2Å; F132-Y134 HydrophobicContact CG-CE1 4.3Å; F132-Y134 HydrophobicContact CG-CE2 4.48Å; F132-Y134 WeakPolarHBondContact O-CD2 3.42Å; F132-Y134 PolarHBondContact O-N 3.42Å; Y134-E136 PolarHBondContact O-N 3.05Å; Y134-N137 CarbonylContact O-C 3.55Å; Y134-N137 PolarHBondContact O-N 3.11Å; Y134-G164 PolarHBondContact OH-O 2.96Å; Y134-G165 PolarHBondContact OH-N 3.17Å
135A85.7Confident91.4Very high81 Ų8154 Ų5467%0.66926%0.262SS*.THydrogen-bonded Turntrans-65.3-29.6176.400000112.6P133 Q138P133-A135 PolarHBondContact O-N 2.92Å; A135-Q138 VanDerWaalsContact O-CG 3.29Å; A135-Q138 WeakPolarHBondContact O-CG 3.46Å; A135-Q138 PolarHBondContact O-NE2 3.11Å
136E83.3Confident91.3Very high153 Ų15356.4 Ų56.472%0.71528%0.277SS*.THydrogen-bonded Turntrans-87.1-21.2178.2-62.1173.2-157.200111.8P133 Y134P133-E136 HydrophobicContact CB-CB 4.43Å; P133-E136 HydrophobicContact CB-CG 4.37Å; P133-E136 PolarHBondContact O-N 3.16Å; P133-E136 VanDerWaalsContact O-N 3.09Å; Y134-E136 PolarHBondContact O-N 3.05Å
137N83.8Confident91.2Very high10 Ų1056.1 Ų56.15%0.05328%0.276CS..SBendtrans-115.252.5-176.6-71-82.3000111.4G103 L115 F132 P133 Y134 G139G103-N137 PolarHBondContact N-OD1 3.37Å; L115-N137 HydrophobicContact CD1-CB 4.19Å; F132-N137 HydrophobicContact CE1-CB 3.85Å; F132-N137 HydrophobicContact CZ-CB 4.39Å; P133-N137 PolarHBondContact O-N 2.83Å; P133-N137 PolarHBondContact O-ND2 3.34Å; Y134-N137 CarbonylContact O-C 3.55Å; Y134-N137 PolarHBondContact O-N 3.11Å; N137-G139 PolarHBondContact O-N 2.99Å
138Q83.7Confident91.2Very high109 Ų10955.1 Ų55.151%0.50927%0.269SS..  trans-64.4128.7-173.6-63.3-172.92.600112.1A135 N140 N143A135-Q138 VanDerWaalsContact O-CG 3.29Å; A135-Q138 WeakPolarHBondContact O-CG 3.46Å; A135-Q138 PolarHBondContact O-NE2 3.11Å; Q138-N140 VanDerWaalsContact C-N 3.27Å; Q138-N140 WeakPolarHBondContact CB-ND2 3.47Å; Q138-N140 PolarHBondContact O-N 2.69Å; Q138-N143 WeakPolarHBondContact O-CB 3.48Å; Q138-N143 PolarHBondContact O-ND2 3.09Å
139G87Confident91.3Very high13 Ų1357.5 Ų57.513%0.13428%0.281CS..  trans-75.274.7171.300000112.3V116 K117 N137 W144V116-G139 WeakPolarHBondContact O-CA 3.4Å; K117-G139 PolarHBondContact NZ-O 2.83Å; N137-G139 PolarHBondContact O-N 2.99Å; G139-W144 VanDerWaalsContact O-CZ2 3.29Å; G139-W144 WeakPolarHBondContact O-CZ2 3.3Å
140N89.5Confident91.4Very high50 Ų5059.1 Ų59.127%0.26729%0.287SS..SBendtrans-126.3161.5178.769.549.5000111.4Q138 R142 N143 W144Q138-N140 VanDerWaalsContact C-N 3.27Å; Q138-N140 WeakPolarHBondContact CB-ND2 3.47Å; Q138-N140 PolarHBondContact O-N 2.69Å; N140-R142 PolarHBondContact O-N 2.73Å; N140-R142 VanDerWaalsContact O-N 3.16Å; N140-R142 WeakPolarHBondContact OD1-CB 3.49Å; N140-R142 PolarHBondContact OD1-N 3.25Å; N140-R142 VanDerWaalsContact OD1-N 3.15Å; N140-N143 PolarHBondContact O-N 3.46Å; N140-N143 VanDerWaalsContact O-N 3.14Å; N140-N143 PolarHBondContact OD1-N 3.16Å; N140-W144 PolarHBondContact O-N 2.81Å
141K90.9Very high91.5Very high123 Ų12358.2 Ų58.254%0.53528%0.284SS..Hα-helixtrans-56.5-34.2-174.9-166.4174-176.1172.30113.8W144 Q145 W177K141-W144 HydrophobicContact CB-CE3 4.38Å; K141-Q145 WeakPolarHBondContact O-CB 3.23Å; K141-Q145 PolarHBondContact O-N 2.71Å; K141-W177 HydrophobicContact CD-CZ2 4.41Å; K141-W177 VanDerWaalsContact CE-CZ2 3.46Å; K141-W177 HydrophobicContact CG-CH2 3.95Å; K141-W177 HydrophobicContact CG-CZ2 4.05Å; K141-W177 HydrophobicContact CG-CZ3 4.21Å
142R91.9Very high91.7Very high202 Ų20258 Ų5876%0.76229%0.292SS*.Hα-helixtrans-65.6-50.3177.9178.1-179.6174.8169.8-0.8110.9N140 W144 Q145 T146N140-R142 PolarHBondContact O-N 2.73Å; N140-R142 VanDerWaalsContact O-N 3.16Å; N140-R142 WeakPolarHBondContact OD1-CB 3.49Å; N140-R142 PolarHBondContact OD1-N 3.25Å; N140-R142 VanDerWaalsContact OD1-N 3.15Å; R142-W144 VanDerWaalsContact C-N 3.34Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.76Å; R142-T146 PolarHBondContact O-N 2.77Å; R142-T146 VanDerWaalsContact O-N 3.14Å; R142-T146 PolarHBondContact O-OG1 3.33Å
143N91.5Very high92Very high29 Ų2960.5 Ų60.516%0.15532%0.316CS..Hα-helixtrans-66.7-38.4179.4-70.2-4.8000111.4Q138 N140 Q145 T146 A147Q138-N143 WeakPolarHBondContact O-CB 3.48Å; Q138-N143 PolarHBondContact O-ND2 3.09Å; N140-N143 PolarHBondContact O-N 3.46Å; N140-N143 VanDerWaalsContact O-N 3.14Å; N140-N143 PolarHBondContact OD1-N 3.16Å; N143-Q145 VanDerWaalsContact C-N 3.34Å; N143-Q145 PolarHBondContact O-N 3.1Å; N143-T146 PolarHBondContact O-N 3.24Å; N143-A147 WeakPolarHBondContact O-CB 3.45Å; N143-A147 PolarHBondContact O-N 3.02Å
144W95.1Very high92.3Very high8 Ų861.4 Ų61.43%0.0332%0.318CS..Hα-helixtrans-60.7-42.5173.3-59.8-23.5000112.1V116 G139 N140 K141 R142 A147 L148 E174 W177 L178V116-W144 HydrophobicContact CG1-CZ2 4.15Å; V116-W144 VanDerWaalsContact O-CZ2 3.26Å; V116-W144 WeakPolarHBondContact O-CZ2 3.42Å; V116-W144 PolarHBondContact O-NE1 2.93Å; G139-W144 VanDerWaalsContact O-CZ2 3.29Å; G139-W144 WeakPolarHBondContact O-CZ2 3.3Å; N140-W144 PolarHBondContact O-N 2.81Å; K141-W144 HydrophobicContact CB-CE3 4.38Å; R142-W144 VanDerWaalsContact C-N 3.34Å; W144-A147 PolarHBondContact O-N 2.62Å; W144-L148 WeakPolarHBondContact O-CB 3.27Å; W144-L148 WeakPolarHBondContact O-CD1 3.32Å; W144-L148 WeakPolarHBondContact O-CG 3.38Å; W144-L148 PolarHBondContact O-N 3.16Å; W144-E174 HydrophobicContact CH2-CB 3.88Å; W144-E174 HydrophobicContact CH2-CG 4.14Å; W144-E174 HydrophobicContact CZ3-CB 4.09Å; W144-E174 HydrophobicContact CZ3-CG 4.39Å; W144-W177 HydrophobicContact CB-CZ3 3.91Å; W144-W177 HydrophobicContact CE3-CE3 4.01Å; W144-W177 AromaticContact CE3-CZ3 3.93Å; W144-W177 HydrophobicContact CE3-CZ3 3.93Å; W144-L178 HydrophobicContact CB-CD2 3.92Å; W144-L178 HydrophobicContact CD2-CD1 4.2Å; W144-L178 HydrophobicContact CD2-CD2 3.93Å; W144-L178 HydrophobicContact CD2-CG 4.29Å; W144-L178 HydrophobicContact CE3-CD1 4.24Å; W144-L178 HydrophobicContact CE3-CD2 4.06Å; W144-L178 HydrophobicContact CE3-CG 4.08Å; W144-L178 HydrophobicContact CG-CD2 3.88Å; W144-L178 HydrophobicContact CH2-CD1 4.46Å; W144-L178 HydrophobicContact CZ2-CD1 4.4Å; W144-L178 HydrophobicContact CZ3-CD1 4.37Å; W144-L178 HydrophobicContact CZ3-CG 4.47Å
145Q95.5Very high92.8Very high68 Ų6863.4 Ų63.432%0.31834%0.337SS..Hα-helixtrans-59.9-47.9176.7-166.872.339.300111.3K141 R142 N143 A147 L148 E149 W177K141-Q145 WeakPolarHBondContact O-CB 3.23Å; K141-Q145 PolarHBondContact O-N 2.71Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.76Å; N143-Q145 VanDerWaalsContact C-N 3.34Å; N143-Q145 PolarHBondContact O-N 3.1Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.16Å; Q145-L148 PolarHBondContact O-N 3.08Å; Q145-L148 VanDerWaalsContact O-N 3.17Å; Q145-E149 WeakPolarHBondContact O-CG 3.35Å; Q145-E149 PolarHBondContact O-N 2.86Å; Q145-W177 VanDerWaalsContact OE1-CH2 3.32Å; Q145-W177 VanDerWaalsContact OE1-CZ2 3.25Å
146T95.5Very high93.4Very high51 Ų5162.6 Ų62.631%0.31332%0.32SS..Hα-helixtrans-60.9-38.9176.7-580000112.3V101 R142 N143 E149 Y150V101-T146 HydrophobicContact CB-CG2 4.23Å; V101-T146 HydrophobicContact CG1-CG2 4.34Å; R142-T146 PolarHBondContact O-N 2.77Å; R142-T146 VanDerWaalsContact O-N 3.14Å; R142-T146 PolarHBondContact O-OG1 3.33Å; N143-T146 PolarHBondContact O-N 3.24Å; T146-E149 PolarHBondContact O-N 3.33Å; T146-Y150 PolarHBondContact O-N 3.28Å; T146-Y150 VanDerWaalsContact O-N 3.1Å
147A95.7Very high94.1Very high2 Ų255.3 Ų55.32%0.01729%0.285CS..Hα-helixtrans-66.2-41.1174.900000112.4V101 L104 L114 N143 W144 Q145 Y150 V151V101-A147 HydrophobicContact CG2-CB 4.28Å; L104-A147 HydrophobicContact CB-CB 4.09Å; L104-A147 HydrophobicContact CD1-CB 4.24Å; L104-A147 HydrophobicContact CD2-CB 4.34Å; L104-A147 HydrophobicContact CG-CB 4.46Å; L114-A147 HydrophobicContact CD1-CB 3.54Å; N143-A147 WeakPolarHBondContact O-CB 3.45Å; N143-A147 PolarHBondContact O-N 3.02Å; W144-A147 PolarHBondContact O-N 2.62Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.16Å; A147-Y150 WeakPolarHBondContact O-CB 3.44Å; A147-Y150 PolarHBondContact O-N 2.75Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.07Å; A147-V151 PolarHBondContact O-N 3.35Å
148L96.9Very high94.8Very high7 Ų756.5 Ų56.54%0.03729%0.292CS..Hα-helixtrans-67.6-36.2177.3-70.3162.5000112.1W144 Q145 V151 A152 W177 L178 Q181 L182 I185W144-L148 WeakPolarHBondContact O-CB 3.27Å; W144-L148 WeakPolarHBondContact O-CD1 3.32Å; W144-L148 WeakPolarHBondContact O-CG 3.38Å; W144-L148 PolarHBondContact O-N 3.16Å; Q145-L148 PolarHBondContact O-N 3.08Å; Q145-L148 VanDerWaalsContact O-N 3.17Å; L148-V151 PolarHBondContact O-N 3.27Å; L148-A152 WeakPolarHBondContact O-CB 3.33Å; L148-A152 PolarHBondContact O-N 3.27Å; L148-W177 HydrophobicContact CD1-CH2 3.88Å; L148-W177 HydrophobicContact CD1-CZ3 3.92Å; L148-L178 HydrophobicContact CD1-CD2 4.49Å; L148-Q181 HydrophobicContact CD1-CB 3.54Å; L148-Q181 HydrophobicContact CD1-CG 3.88Å; L148-Q181 HydrophobicContact CD2-CB 4.22Å; L148-Q181 HydrophobicContact CG-CB 4.47Å; L148-L182 HydrophobicContact CD2-CD2 3.42Å; L148-L182 VanDerWaalsContact CD2-CD2 3.42Å; L148-L182 HydrophobicContact CD2-CG 3.95Å; L148-I185 HydrophobicContact CD2-CD1 4.27Å
149E97.2Very high95.5Very high111 Ų11151.7 Ų51.752%0.51927%0.27SS..Hα-helixtrans-61.4-44.2171.9-74.2165.5-17000111.4Q145 T146 A152 A153Q145-E149 WeakPolarHBondContact O-CG 3.35Å; Q145-E149 PolarHBondContact O-N 2.86Å; T146-E149 PolarHBondContact O-N 3.33Å; E149-A152 PolarHBondContact O-N 3.26Å; E149-A153 PolarHBondContact O-N 2.84Å; E149-A153 VanDerWaalsContact O-N 3.11Å
150Y97.4Very high96Very high47 Ų4751.1 Ų51.118%0.18426%0.263CS..Hα-helixtrans-58.4-49.7172.3179.6-83.2000110.5V100 V101 L104 H106 T146 A147 A152 A153 H154V100-Y150 HydrophobicContact CB-CE2 4.27Å; V100-Y150 HydrophobicContact CG2-CE1 4.12Å; V100-Y150 HydrophobicContact CG2-CE2 4.06Å; V101-Y150 HydrophobicContact CG1-CD2 4.15Å; L104-Y150 HydrophobicContact CD2-CD1 3.25Å; L104-Y150 HydrophobicContact CD2-CE1 3.87Å; L104-Y150 HydrophobicContact CD2-CG 3.8Å; H106-Y150 HydrophobicContact CB-CE1 4.3Å; H106-Y150 AromaticContact ND1-CE1 3.57Å; H106-Y150 AromaticContact ND1-CZ 3.7Å; H106-Y150 PolarHBondContact ND1-OH 2.77Å; T146-Y150 PolarHBondContact O-N 3.28Å; T146-Y150 VanDerWaalsContact O-N 3.1Å; A147-Y150 WeakPolarHBondContact O-CB 3.44Å; A147-Y150 PolarHBondContact O-N 2.75Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.79Å; Y150-A153 PolarHBondContact O-N 3.23Å; Y150-H154 AromaticContact CD1-ND1 3.76Å; Y150-H154 AromaticContact CD2-CE1 3.47Å; Y150-H154 VanDerWaalsContact CD2-CE1 3.47Å; Y150-H154 WeakPolarHBondContact CD2-CE1 2.92Å; Y150-H154 AromaticContact CD2-ND1 3.94Å; Y150-H154 AromaticContact CE1-CE1 3.78Å; Y150-H154 AromaticContact CE1-CG 3.96Å; Y150-H154 AromaticContact CE1-ND1 3.7Å; Y150-H154 AromaticContact CE2-CE1 3.15Å; Y150-H154 WeakPolarHBondContact CE2-CE1 3.48Å; Y150-H154 AromaticContact CE2-ND1 3.87Å; Y150-H154 AromaticContact CE2-NE2 3.51Å; Y150-H154 AromaticContact CG-CE1 3.89Å; Y150-H154 AromaticContact CG-ND1 3.89Å; Y150-H154 AromaticContact CZ-CD2 3.87Å; Y150-H154 AromaticContact CZ-CE1 3.32Å; Y150-H154 AromaticContact CZ-ND1 3.74Å; Y150-H154 AromaticContact CZ-NE2 3.38Å; Y150-H154 PolarHBondContact O-N 2.82Å; Y150-H154 PolarHBondContact O-ND1 3.22Å; Y150-H154 PolarHBondContact OH-NE2 3.23Å
151V97.5Very high96.5Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-60.9-40.7-179.5174.40000112L104 A147 L148 A153 H154 L157 M160 I185 H187 I188L104-V151 HydrophobicContact CD1-CG2 4.45Å; L104-V151 HydrophobicContact CD2-CG2 4.28Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.07Å; A147-V151 PolarHBondContact O-N 3.35Å; L148-V151 PolarHBondContact O-N 3.27Å; V151-A153 PolarHBondContact O-N 2.82Å; V151-H154 PolarHBondContact O-N 2.97Å; V151-L157 HydrophobicContact CB-CD1 4.23Å; V151-L157 HydrophobicContact CG1-CD1 4.05Å; V151-L157 HydrophobicContact CG2-CD1 4.07Å; V151-M160 HydrophobicContact CB-SD 4.44Å; V151-M160 HydrophobicContact CG1-CG 4.36Å; V151-M160 HydrophobicContact CG1-SD 3.99Å; V151-M160 HydrophobicContact CG2-CE 3.95Å; V151-M160 HydrophobicContact CG2-SD 3.52Å; V151-M160 VanDerWaalsContact CG2-SD 3.52Å; V151-I185 HydrophobicContact CB-CD1 4.39Å; V151-I185 HydrophobicContact CG1-CD1 4.04Å; V151-H187 PolarHBondContact O-NE2 3.09Å; V151-I188 HydrophobicContact CG1-CD1 3.65Å; V151-I188 HydrophobicContact CG1-CG1 3.93Å
152A97.8Very high96.8Very high53 Ų5343.8 Ų43.844%0.43823%0.23SC..Hα-helixtrans-64.2-29.7176.600000112.8L148 E149 Y150 I185 H187L148-A152 WeakPolarHBondContact O-CB 3.33Å; L148-A152 PolarHBondContact O-N 3.27Å; E149-A152 PolarHBondContact O-N 3.26Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.79Å; A152-I185 HydrophobicContact CB-CD1 4.26Å; A152-I185 HydrophobicContact CB-CG1 4.37Å; A152-H187 PolarHBondContact O-CE1 3.24Å
153A97.6Very high97Very high71 Ų7134.9 Ų34.959%0.58720%0.198SC*.Hα-helixtrans-81.9-8.2177.600000114.6E149 Y150 V151 P155E149-A153 PolarHBondContact O-N 2.84Å; E149-A153 VanDerWaalsContact O-N 3.11Å; Y150-A153 PolarHBondContact O-N 3.23Å; V151-A153 PolarHBondContact O-N 2.82Å; A153-P155 WeakPolarHBondContact O-CD 3.38Å
154H97.8Very high97Very high49 Ų4933.7 Ų33.723%0.22719%0.193CC..  trans-118.483.7-175.1-69.576.7000110.4Y150 V151 E156 L157 H187Y150-H154 AromaticContact CD1-ND1 3.76Å; Y150-H154 AromaticContact CD2-CE1 3.47Å; Y150-H154 VanDerWaalsContact CD2-CE1 3.47Å; Y150-H154 WeakPolarHBondContact CD2-CE1 2.92Å; Y150-H154 AromaticContact CD2-ND1 3.94Å; Y150-H154 AromaticContact CE1-CE1 3.78Å; Y150-H154 AromaticContact CE1-CG 3.96Å; Y150-H154 AromaticContact CE1-ND1 3.7Å; Y150-H154 AromaticContact CE2-CE1 3.15Å; Y150-H154 WeakPolarHBondContact CE2-CE1 3.48Å; Y150-H154 AromaticContact CE2-ND1 3.87Å; Y150-H154 AromaticContact CE2-NE2 3.51Å; Y150-H154 AromaticContact CG-CE1 3.89Å; Y150-H154 AromaticContact CG-ND1 3.89Å; Y150-H154 AromaticContact CZ-CD2 3.87Å; Y150-H154 AromaticContact CZ-CE1 3.32Å; Y150-H154 AromaticContact CZ-ND1 3.74Å; Y150-H154 AromaticContact CZ-NE2 3.38Å; Y150-H154 PolarHBondContact O-N 2.82Å; Y150-H154 PolarHBondContact O-ND1 3.22Å; Y150-H154 PolarHBondContact OH-NE2 3.23Å; V151-H154 PolarHBondContact O-N 2.97Å; H154-E156 WeakPolarHBondContact CA-OE2 3.17Å; H154-E156 WeakPolarHBondContact CB-OE1 3.49Å; H154-E156 IonicContact CD2-OE1 2.91Å; H154-E156 PolarHBondContact CD2-OE1 3.06Å; H154-E156 VanDerWaalsContact CD2-OE1 3.28Å; H154-E156 IonicContact CG-OE1 2.71Å; H154-E156 PolarHBondContact O-N 2.78Å; H154-L157 HydrophobicContact CB-CD1 3.8Å; H154-L157 HydrophobicContact CB-CG 4.04Å; H154-L157 WeakPolarHBondContact O-CB 3.39Å; H154-L157 PolarHBondContact O-N 2.94Å; H154-L157 VanDerWaalsContact O-N 3.12Å; H154-H187 PolarHBondContact O-NE2 3.19Å
155P97.7Very high96.9Very high94 Ų9434.3 Ų34.361%0.6120%0.202SC*.THydrogen-bonded Turntrans-68.6-11-172.729.1-36.5000114.6A153 L157A153-P155 WeakPolarHBondContact O-CD 3.38Å; P155-L157 VanDerWaalsContact C-N 3.26Å
156E98Very high97Very high64 Ų6431.4 Ų31.430%0.29919%0.188SC..THydrogen-bonded Turntrans-71-20.7171.672-80.8-16800113.2H106 H109 N110 H154 D158H106-E156 IonicContact CE1-OE1 3.77Å; H109-E156 WeakPolarHBondContact O-CG 3.33Å; N110-E156 WeakPolarHBondContact CA-O 3.21Å; H154-E156 WeakPolarHBondContact CA-OE2 3.17Å; H154-E156 WeakPolarHBondContact CB-OE1 3.49Å; H154-E156 IonicContact CD2-OE1 2.91Å; H154-E156 PolarHBondContact CD2-OE1 3.06Å; H154-E156 VanDerWaalsContact CD2-OE1 3.28Å; H154-E156 IonicContact CG-OE1 2.71Å; H154-E156 PolarHBondContact O-N 2.78Å; E156-D158 PolarHBondContact O-N 2.7Å
157L98.2Very high97.1Very high0 Ų029 Ų290%017%0.173CC..  trans-71.2128176.4-65.4176.7000109.7H106 A112 V151 H154 P155 H187 I188H106-L157 WeakPolarHBondContact NE2-CD2 3.33Å; A112-L157 HydrophobicContact CB-CD1 4.17Å; A112-L157 HydrophobicContact CB-CD2 4.11Å; V151-L157 HydrophobicContact CB-CD1 4.23Å; V151-L157 HydrophobicContact CG1-CD1 4.05Å; V151-L157 HydrophobicContact CG2-CD1 4.07Å; H154-L157 HydrophobicContact CB-CD1 3.8Å; H154-L157 HydrophobicContact CB-CG 4.04Å; H154-L157 WeakPolarHBondContact O-CB 3.39Å; H154-L157 PolarHBondContact O-N 2.94Å; H154-L157 VanDerWaalsContact O-N 3.12Å; P155-L157 VanDerWaalsContact C-N 3.26Å; L157-H187 PolarHBondContact O-CD2 2.95Å; L157-I188 HydrophobicContact CB-CD1 4.02Å
158D98.2Very high97.2Very high35 Ų3529 Ų2919%0.18717%0.173CC..  trans-125.9-8.3172.875.8-16.3000113.6N110 E156 H187 K189 R190N110-D158 PolarHBondContact ND2-OD1 3.3Å; N110-D158 PolarHBondContact O-N 3.32Å; E156-D158 PolarHBondContact O-N 2.7Å; D158-H187 WeakPolarHBondContact CA-O 3.17Å; D158-K189 HydrophobicContact CB-CD 4.47Å; D158-K189 PolarHBondContact O-N 2.75Å; D158-R190 PolarHBondContact O-N 2.86Å; D158-R190 IonicContact OD2-NH1 2.71Å
159E98.6Very high97.1Very high9 Ų930.3 Ų30.34%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-132.6130.6179.2177.9175.1-144.500111.4N110 R111 A112 R190 R192N110-E159 PolarHBondContact O-N 3.25Å; R111-E159 VanDerWaalsContact CA-O 3.26Å; R111-E159 WeakPolarHBondContact CA-O 3.49Å; R111-E159 HydrophobicContact CB-CB 4.05Å; R111-E159 HydrophobicContact CB-CG 4.41Å; R111-E159 WeakPolarHBondContact CB-O 3.44Å; A112-E159 PolarHBondContact N-O 2.88Å; E159-R190 WeakPolarHBondContact CA-O 3.49Å; E159-R190 HydrophobicContact CB-CB 4.17Å; E159-R190 HydrophobicContact CG-CB 4.05Å; E159-R192 IonicContact OE1-CZ 3.77Å; E159-R192 IonicContact OE1-NE 3.11Å; E159-R192 PolarHBondContact OE1-NE 2.83Å; E159-R192 IonicContact OE1-NH2 3.29Å; E159-R192 PolarHBondContact OE1-NH2 2.88Å; E159-R192 IonicContact OE2-CZ 3.28Å; E159-R192 IonicContact OE2-NH2 3.18Å; E159-R192 PolarHBondContact OE2-NH2 2.88Å; E159-R192 VanDerWaalsContact OE2-NH2 3.16Å
160M98.5Very high97.1Very high1 Ų125 Ų251%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-104.8137.5168.9-78.3-61.7-63.200111.1L104 A112 L114 V151 L182 I188 R190 L191 R192L104-M160 HydrophobicContact CD1-CE 4Å; A112-M160 HydrophobicContact CB-SD 3.97Å; L114-M160 HydrophobicContact CB-CE 3.88Å; V151-M160 HydrophobicContact CB-SD 4.44Å; V151-M160 HydrophobicContact CG1-CG 4.36Å; V151-M160 HydrophobicContact CG1-SD 3.99Å; V151-M160 HydrophobicContact CG2-CE 3.95Å; V151-M160 HydrophobicContact CG2-SD 3.52Å; V151-M160 VanDerWaalsContact CG2-SD 3.52Å; M160-L182 HydrophobicContact CB-CD1 4.1Å; M160-L182 HydrophobicContact CB-CD2 4.31Å; M160-L182 HydrophobicContact CG-CD1 4.37Å; M160-L182 HydrophobicContact CG-CD2 3.67Å; M160-I188 HydrophobicContact CG-CD1 4.16Å; M160-I188 HydrophobicContact CG-CG2 4.33Å; M160-R190 PolarHBondContact N-O 3.08Å; M160-L191 HydrophobicContact CB-CD1 4.37Å; M160-L191 WeakPolarHBondContact O-CA 3.23Å; M160-R192 PolarHBondContact O-N 2.91Å
161I98.4Very high96.9Very high19 Ų1927.6 Ų27.610%0.09717%0.167CC..EExtended strand (participates in β ladder)trans-111.1117.2177-55177.5000109.4A112 L113 L114 R192 H194A112-I161 PolarHBondContact O-N 3.14Å; L113-I161 CarbonylContact C-O 3.44Å; L113-I161 WeakPolarHBondContact CA-O 3.36Å; L113-I161 HydrophobicContact CB-CB 4.14Å; L113-I161 HydrophobicContact CD1-CG2 4.24Å; L113-I161 HydrophobicContact CG-CB 4.34Å; L113-I161 HydrophobicContact CG-CG2 4.21Å; L114-I161 PolarHBondContact N-O 2.94Å; I161-R192 CarbonylContact C-O 3.52Å; I161-R192 VanDerWaalsContact CA-O 3.23Å; I161-R192 WeakPolarHBondContact CA-O 3.49Å; I161-R192 HydrophobicContact CG1-CB 4.28Å; I161-H194 VanDerWaalsContact CG2-CD2 3.48Å; I161-H194 WeakPolarHBondContact CG2-CD2 3.49Å
162F98.3Very high96.9Very high0 Ų028.6 Ų28.60%017%0.173CC..EExtended strand (participates in β ladder)trans-85.8124.5168.6-73.3-0.8000110.2L114 V116 P167 L175 L178 L179 L182 L191 R192 I193 H194L114-F162 HydrophobicContact CB-CD1 4.22Å; L114-F162 HydrophobicContact CB-CE1 4.49Å; L114-F162 HydrophobicContact CD2-CD1 4.3Å; L114-F162 HydrophobicContact CD2-CE1 3.88Å; V116-F162 HydrophobicContact CG2-CB 3.75Å; V116-F162 HydrophobicContact CG2-CD1 3.72Å; V116-F162 HydrophobicContact CG2-CD2 3.94Å; V116-F162 HydrophobicContact CG2-CE1 4.3Å; V116-F162 HydrophobicContact CG2-CE2 4.5Å; V116-F162 HydrophobicContact CG2-CG 3.52Å; F162-P167 HydrophobicContact CB-CB 3.82Å; F162-P167 HydrophobicContact CB-CG 4.33Å; F162-L175 HydrophobicContact CD2-CD2 4.42Å; F162-L175 HydrophobicContact CE2-CD2 4.47Å; F162-L178 HydrophobicContact CE2-CB 4.11Å; F162-L178 HydrophobicContact CE2-CD1 4.28Å; F162-L178 HydrophobicContact CZ-CB 3.86Å; F162-L178 HydrophobicContact CZ-CD1 4.27Å; F162-L178 HydrophobicContact CZ-CG 4.46Å; F162-L179 HydrophobicContact CE2-CD1 4.26Å; F162-L182 HydrophobicContact CE1-CD1 3.66Å; F162-L182 HydrophobicContact CZ-CD1 3.46Å; F162-L182 VanDerWaalsContact CZ-CD1 3.46Å; F162-L191 HydrophobicContact CB-CD1 4.42Å; F162-L191 HydrophobicContact CD1-CD1 3.7Å; F162-L191 HydrophobicContact CD2-CD1 3.77Å; F162-L191 HydrophobicContact CD2-CD2 4.21Å; F162-L191 HydrophobicContact CE1-CD1 3.79Å; F162-L191 HydrophobicContact CE2-CD1 3.84Å; F162-L191 HydrophobicContact CE2-CD2 3.91Å; F162-L191 HydrophobicContact CG-CD1 3.69Å; F162-L191 HydrophobicContact CZ-CD1 3.83Å; F162-L191 HydrophobicContact CZ-CD2 4.38Å; F162-R192 PolarHBondContact N-O 2.78Å; F162-I193 HydrophobicContact CB-CG1 4.33Å; F162-I193 HydrophobicContact CB-CG2 4.42Å; F162-I193 HydrophobicContact CD2-CG1 4.4Å; F162-H194 PolarHBondContact O-N 2.6Å
163S95.1Very high96.7Very high14 Ų1432 Ų3210%0.09818%0.179CC..EExtended strand (participates in β ladder)trans-148.3-155.9-179.7-166.10000109.2L114 V116 R129L114-S163 CarbonylContact O-C 3.59Å; L114-S163 PolarHBondContact O-N 3.32Å; V116-S163 PolarHBondContact N-O 2.84Å; R129-S163 PolarHBondContact NH1-OG 2.8Å
164G91.3Very high96.7Very high4 Ų430.4 Ų30.44%0.04116%0.159CC..EExtended strand (participates in β ladder)trans134.7-140.3-174.300000110.6K117 R129 Y134K117-G164 CarbonylContact O-C 3.5Å; K117-G164 VanDerWaalsContact O-CA 3.26Å; K117-G164 WeakPolarHBondContact O-CA 3.17Å; R129-G164 PolarHBondContact NH1-O 2.89Å; Y134-G164 PolarHBondContact OH-O 2.96Å
165G93.7Very high96.6Very high21 Ų2128.1 Ų28.122%0.21615%0.149CC..SBendtrans-66.1-73.7151.800000108.7K117 C120 Y134K117-G165 PolarHBondContact O-N 3.08Å; C120-G165 WeakPolarHBondContact SG-CA 3.48Å; C120-G165 PolarHBondContact SG-O 3.23Å; C120-G165 VanDerWaalsContact SG-O 3.37Å; Y134-G165 PolarHBondContact OH-N 3.17Å
166D97Very high96.6Very high7 Ų726.9 Ų26.94%0.03714%0.137CC..  trans-141.5120.9167.1-167.1-53.9000110.8G119 L168 M169 S195 R196 L197G119-D166 PolarHBondContact O-N 3.4Å; D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.16Å; D166-L168 PolarHBondContact OD1-N 3.43Å; D166-M169 HydrophobicContact CB-CG 3.87Å; D166-M169 VanDerWaalsContact O-CB 3.23Å; D166-M169 WeakPolarHBondContact O-CB 3.5Å; D166-M169 WeakPolarHBondContact O-CG 3.39Å; D166-M169 PolarHBondContact O-N 3.27Å; D166-M169 VanDerWaalsContact O-N 3.08Å; D166-S195 WeakPolarHBondContact OD1-CB 3.24Å; D166-S195 PolarHBondContact OD1-OG 2.97Å; D166-S195 PolarHBondContact OD2-OG 2.9Å; D166-R196 PolarHBondContact OD2-N 3.05Å; D166-L197 WeakPolarHBondContact OD2-CB 3.23Å; D166-L197 PolarHBondContact OD2-N 2.82Å
167P97.6Very high96.6Very high0 Ų026.1 Ų26.10%013%0.132CC..G310 helixtrans-67-26.8-175.229.2-36.7000113.2V116 F162 M169 A170 I193 H194V116-P167 HydrophobicContact CB-CB 3.97Å; V116-P167 HydrophobicContact CG2-CB 4.12Å; F162-P167 HydrophobicContact CB-CB 3.82Å; F162-P167 HydrophobicContact CB-CG 4.33Å; P167-M169 PolarHBondContact O-N 2.92Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.45Å; P167-A170 VanDerWaalsContact O-N 3.16Å; P167-I193 HydrophobicContact CB-CG2 4.34Å; P167-I193 HydrophobicContact CG-CG2 3.67Å; P167-H194 WeakPolarHBondContact CD-O 3.49Å; P167-H194 WeakPolarHBondContact CG-O 3.38Å
168L97.9Very high96.6Very high2 Ų226.1 Ų26.11%0.0113%0.132CC..G310 helixtrans-77.7-0176.9-64.8-174.2000112.1D166 A170 L175 I193 S195 L197 P198 R204 I205 L209 L222D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.16Å; D166-L168 PolarHBondContact OD1-N 3.43Å; L168-A170 PolarHBondContact O-N 3.19Å; L168-L175 HydrophobicContact CD2-CD1 3.82Å; L168-I193 HydrophobicContact CD2-CG2 4.06Å; L168-I193 HydrophobicContact CG-CG2 4.14Å; L168-S195 WeakPolarHBondContact CD1-OG 3.45Å; L168-L197 VanDerWaalsContact C-CD2 3.47Å; L168-L197 HydrophobicContact CB-CB 4.23Å; L168-L197 HydrophobicContact CB-CD2 3.95Å; L168-L197 VanDerWaalsContact O-CD2 3.3Å; L168-L197 WeakPolarHBondContact O-CD2 3.38Å; L168-P198 HydrophobicContact CD1-CG 3.61Å; L168-R204 HydrophobicContact CB-CG 4.1Å; L168-R204 WeakPolarHBondContact O-CD 3.4Å; L168-R204 PolarHBondContact O-NE 3.37Å; L168-I205 HydrophobicContact CD1-CD1 4.29Å; L168-L209 HydrophobicContact CD2-CD2 4.4Å; L168-L222 HydrophobicContact CD1-CD1 4.29Å
169M96.3Very high96.6Very high36 Ų3624.4 Ų24.418%0.17712%0.123CC..G310 helixtrans-68-16.1164-68.6-77.4-58.300112.5L19 K117 G119 A121 D166 P167 L197L19-M169 HydrophobicContact CD1-CE 3.88Å; L19-M169 HydrophobicContact CD1-SD 3.82Å; L19-M169 HydrophobicContact CD2-CE 3.53Å; L19-M169 HydrophobicContact CD2-SD 3.87Å; L19-M169 HydrophobicContact CG-CE 4.3Å; K117-M169 HydrophobicContact CB-CB 4.07Å; K117-M169 HydrophobicContact CG-CB 4.1Å; G119-M169 WeakPolarHBondContact O-CG 3.46Å; A121-M169 HydrophobicContact CB-SD 4.18Å; D166-M169 HydrophobicContact CB-CG 3.87Å; D166-M169 VanDerWaalsContact O-CB 3.23Å; D166-M169 WeakPolarHBondContact O-CB 3.5Å; D166-M169 WeakPolarHBondContact O-CG 3.39Å; D166-M169 PolarHBondContact O-N 3.27Å; D166-M169 VanDerWaalsContact O-N 3.08Å; P167-M169 PolarHBondContact O-N 2.92Å; M169-L197 HydrophobicContact CG-CD2 4.23Å; M169-L197 HydrophobicContact SD-CD1 4.5Å; M169-L197 HydrophobicContact SD-CD2 4.05Å
170A95.9Very high96.6Very high0 Ų026.9 Ų26.90%014%0.138CC..SBendtrans-65.9139.1169.700000110.2V116 K117 P167 L168 E174 L175 R204V116-A170 HydrophobicContact CG1-CB 3.82Å; K117-A170 HydrophobicContact CG-CB 4.06Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.45Å; P167-A170 VanDerWaalsContact O-N 3.16Å; L168-A170 PolarHBondContact O-N 3.19Å; A170-E174 WeakPolarHBondContact CA-OE2 3.17Å; A170-E174 HydrophobicContact CB-CB 4.12Å; A170-L175 HydrophobicContact CB-CD2 3.87Å; A170-L175 HydrophobicContact CB-CG 3.91Å; A170-R204 PolarHBondContact O-NH2 3.17Å
171K94.8Very high96.6Very high101 Ų10129.6 Ų29.644%0.43915%0.151SC..  trans-70160.7176.5-64.4175.4179.8177.50110.4H173 E174 L175K171-H173 VanDerWaalsContact C-N 3.29Å; K171-H173 PolarHBondContact O-N 3.43Å; K171-E174 HydrophobicContact CB-CG 4.35Å; K171-E174 PolarHBondContact N-OE2 2.93Å; K171-E174 WeakPolarHBondContact O-CA 3.23Å; K171-E174 WeakPolarHBondContact O-CB 3.47Å; K171-E174 PolarHBondContact O-N 3.11Å; K171-L175 PolarHBondContact O-N 3.25Å
172D95.6Very high96.5Very high21 Ų2128.7 Ų28.711%0.11215%0.146CC..Hα-helixtrans-56.9-40.4-176-72.6-7.2000113E174 L175 D176 R204 T206D172-E174 VanDerWaalsContact C-N 3.3Å; D172-E174 PolarHBondContact O-N 2.88Å; D172-L175 PolarHBondContact O-N 3.21Å; D172-D176 VanDerWaalsContact O-CB 3.3Å; D172-D176 WeakPolarHBondContact O-CB 3.17Å; D172-D176 PolarHBondContact O-N 3.1Å; D172-R204 IonicContact OD1-CZ 3.27Å; D172-R204 IonicContact OD1-NH1 2.71Å; D172-R204 PolarHBondContact OD1-NH1 2.84Å; D172-R204 IonicContact OD1-NH2 3.34Å; D172-R204 PolarHBondContact OD1-NH2 3.38Å; D172-T206 PolarHBondContact OD2-OG1 2.82Å
173H94.7Very high96.5Very high124 Ų12431 Ų3157%0.57416%0.157SC*.Hα-helixtrans-67.9-26175.868.9-93.5000114.1K171 W177K171-H173 VanDerWaalsContact C-N 3.29Å; K171-H173 PolarHBondContact O-N 3.43Å; H173-W177 WeakPolarHBondContact O-CB 3.29Å; H173-W177 PolarHBondContact O-N 3.2Å
174E96.4Very high96.7Very high37 Ų3734 Ų3417%0.17318%0.182CC..Hα-helixtrans-75.9-42.6176.2-63179.8115.300110.2K117 W144 A170 K171 D172 W177 L178K117-E174 VanDerWaalsContact CE-OE2 3.28Å; K117-E174 WeakPolarHBondContact CE-OE2 3.33Å; K117-E174 IonicContact NZ-OE1 3.28Å; K117-E174 PolarHBondContact NZ-OE1 3.3Å; K117-E174 IonicContact NZ-OE2 3.46Å; K117-E174 PolarHBondContact NZ-OE2 2.89Å; W144-E174 HydrophobicContact CH2-CB 3.88Å; W144-E174 HydrophobicContact CH2-CG 4.14Å; W144-E174 HydrophobicContact CZ3-CB 4.09Å; W144-E174 HydrophobicContact CZ3-CG 4.39Å; A170-E174 WeakPolarHBondContact CA-OE2 3.17Å; A170-E174 HydrophobicContact CB-CB 4.12Å; K171-E174 HydrophobicContact CB-CG 4.35Å; K171-E174 PolarHBondContact N-OE2 2.93Å; K171-E174 WeakPolarHBondContact O-CA 3.23Å; K171-E174 WeakPolarHBondContact O-CB 3.47Å; K171-E174 PolarHBondContact O-N 3.11Å; D172-E174 VanDerWaalsContact C-N 3.3Å; D172-E174 PolarHBondContact O-N 2.88Å; E174-W177 PolarHBondContact O-N 2.66Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.11Å
175L97.3Very high97Very high1 Ų134.5 Ų34.51%0.00518%0.184CC..Hα-helixtrans-65.3-44.6174.4-68.9177.2000111.2F162 L168 A170 K171 D172 W177 L178 L179 R204 L209F162-L175 HydrophobicContact CD2-CD2 4.42Å; F162-L175 HydrophobicContact CE2-CD2 4.47Å; L168-L175 HydrophobicContact CD2-CD1 3.82Å; A170-L175 HydrophobicContact CB-CD2 3.87Å; A170-L175 HydrophobicContact CB-CG 3.91Å; K171-L175 PolarHBondContact O-N 3.25Å; D172-L175 PolarHBondContact O-N 3.21Å; L175-W177 VanDerWaalsContact C-N 3.31Å; L175-W177 PolarHBondContact O-N 2.99Å; L175-L178 PolarHBondContact O-N 3.32Å; L175-L179 HydrophobicContact CB-CD1 4.39Å; L175-L179 WeakPolarHBondContact O-CD1 3.36Å; L175-L179 PolarHBondContact O-N 3.26Å; L175-R204 VanDerWaalsContact CD1-NH2 3.34Å; L175-L209 HydrophobicContact CD1-CD1 3.66Å
176D97.6Very high97.2Very high68 Ų6839.4 Ų39.436%0.36421%0.212SC..Hα-helixtrans-55.2-46.6175.1174.853.6000111.9D172 L179 T180 R212D172-D176 VanDerWaalsContact O-CB 3.3Å; D172-D176 WeakPolarHBondContact O-CB 3.17Å; D172-D176 PolarHBondContact O-N 3.1Å; D176-L179 PolarHBondContact O-N 2.87Å; D176-T180 VanDerWaalsContact O-CB 3.31Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 3.5Å; D176-T180 PolarHBondContact O-OG1 3.47Å; D176-R212 HydrophobicContact CB-CG 4.39Å; D176-R212 WeakPolarHBondContact OD1-CD 3.43Å; D176-R212 IonicContact OD1-CZ 3.55Å; D176-R212 IonicContact OD1-NE 3.6Å; D176-R212 PolarHBondContact OD1-NE 3.41Å
177W97.6Very high97.3Very high48 Ų4841 Ų4118%0.18222%0.219CC..Hα-helixtrans-61.4-46.8176.3-176.281.3000111.8K141 W144 Q145 L148 H173 E174 L175 T180 Q181K141-W177 HydrophobicContact CD-CZ2 4.41Å; K141-W177 VanDerWaalsContact CE-CZ2 3.46Å; K141-W177 HydrophobicContact CG-CH2 3.95Å; K141-W177 HydrophobicContact CG-CZ2 4.05Å; K141-W177 HydrophobicContact CG-CZ3 4.21Å; W144-W177 HydrophobicContact CB-CZ3 3.91Å; W144-W177 HydrophobicContact CE3-CE3 4.01Å; W144-W177 AromaticContact CE3-CZ3 3.93Å; W144-W177 HydrophobicContact CE3-CZ3 3.93Å; Q145-W177 VanDerWaalsContact OE1-CH2 3.32Å; Q145-W177 VanDerWaalsContact OE1-CZ2 3.25Å; L148-W177 HydrophobicContact CD1-CH2 3.88Å; L148-W177 HydrophobicContact CD1-CZ3 3.92Å; H173-W177 WeakPolarHBondContact O-CB 3.29Å; H173-W177 PolarHBondContact O-N 3.2Å; E174-W177 PolarHBondContact O-N 2.66Å; L175-W177 VanDerWaalsContact C-N 3.31Å; L175-W177 PolarHBondContact O-N 2.99Å; W177-T180 PolarHBondContact O-N 3.19Å; W177-Q181 HydrophobicContact CD2-CG 4.04Å; W177-Q181 HydrophobicContact CE3-CG 4.24Å; W177-Q181 HydrophobicContact CH2-CG 3.83Å; W177-Q181 HydrophobicContact CZ2-CG 3.59Å; W177-Q181 HydrophobicContact CZ3-CG 4.14Å; W177-Q181 WeakPolarHBondContact O-CG 3.16Å; W177-Q181 PolarHBondContact O-N 2.84Å
178L97.9Very high97.3Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-61.3-46.6178.4-80.5168.4000112.5L114 V116 W144 L148 F162 E174 L175 T180 Q181 L182L114-L178 HydrophobicContact CD2-CD2 4.07Å; V116-L178 HydrophobicContact CG1-CD1 3.71Å; V116-L178 HydrophobicContact CG2-CD1 4.32Å; W144-L178 HydrophobicContact CB-CD2 3.92Å; W144-L178 HydrophobicContact CD2-CD1 4.2Å; W144-L178 HydrophobicContact CD2-CD2 3.93Å; W144-L178 HydrophobicContact CD2-CG 4.29Å; W144-L178 HydrophobicContact CE3-CD1 4.24Å; W144-L178 HydrophobicContact CE3-CD2 4.06Å; W144-L178 HydrophobicContact CE3-CG 4.08Å; W144-L178 HydrophobicContact CG-CD2 3.88Å; W144-L178 HydrophobicContact CH2-CD1 4.46Å; W144-L178 HydrophobicContact CZ2-CD1 4.4Å; W144-L178 HydrophobicContact CZ3-CD1 4.37Å; W144-L178 HydrophobicContact CZ3-CG 4.47Å; L148-L178 HydrophobicContact CD1-CD2 4.49Å; F162-L178 HydrophobicContact CE2-CB 4.11Å; F162-L178 HydrophobicContact CE2-CD1 4.28Å; F162-L178 HydrophobicContact CZ-CB 3.86Å; F162-L178 HydrophobicContact CZ-CD1 4.27Å; F162-L178 HydrophobicContact CZ-CG 4.46Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.11Å; L175-L178 PolarHBondContact O-N 3.32Å; L178-T180 VanDerWaalsContact C-N 3.34Å; L178-T180 PolarHBondContact O-N 2.98Å; L178-Q181 PolarHBondContact O-N 3.21Å; L178-L182 WeakPolarHBondContact O-CG 3.25Å; L178-L182 PolarHBondContact O-N 3.2Å
179L98.2Very high97.4Very high0 Ų047.4 Ų47.40%025%0.247CC..Hα-helixtrans-60.8-45.5176.7-8982.1000110.5F162 L175 D176 Q181 L182 E183 L191 R212 F213 I220F162-L179 HydrophobicContact CE2-CD1 4.26Å; L175-L179 HydrophobicContact CB-CD1 4.39Å; L175-L179 WeakPolarHBondContact O-CD1 3.36Å; L175-L179 PolarHBondContact O-N 3.26Å; D176-L179 PolarHBondContact O-N 2.87Å; L179-Q181 VanDerWaalsContact C-N 3.3Å; L179-Q181 PolarHBondContact O-N 2.75Å; L179-L182 PolarHBondContact O-N 2.94Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L179-E183 WeakPolarHBondContact O-CB 3.46Å; L179-E183 WeakPolarHBondContact O-CG 3.45Å; L179-E183 PolarHBondContact O-N 2.85Å; L179-L191 HydrophobicContact CD1-CD2 3.86Å; L179-L191 HydrophobicContact CD2-CD2 4.34Å; L179-L191 HydrophobicContact CG-CD2 3.88Å; L179-R212 HydrophobicContact CD2-CG 4.43Å; L179-F213 HydrophobicContact CD1-CE1 4.38Å; L179-F213 HydrophobicContact CD2-CD1 3.95Å; L179-F213 HydrophobicContact CD2-CE1 4.09Å; L179-I220 HydrophobicContact CD2-CD1 3.95Å
180T98.1Very high97.5Very high60 Ų6050 Ų5037%0.36826%0.255SS..Hα-helixtrans-60.4-39.2179.3-57.40000112.1D176 W177 L178 A184 R212D176-T180 VanDerWaalsContact O-CB 3.31Å; D176-T180 WeakPolarHBondContact O-CB 3.34Å; D176-T180 PolarHBondContact O-N 3.5Å; D176-T180 PolarHBondContact O-OG1 3.47Å; W177-T180 PolarHBondContact O-N 3.19Å; L178-T180 VanDerWaalsContact C-N 3.34Å; L178-T180 PolarHBondContact O-N 2.98Å; T180-A184 PolarHBondContact O-N 2.98Å; T180-R212 PolarHBondContact OG1-NH2 3.18Å; T180-R212 VanDerWaalsContact OG1-NH2 3.09Å
181Q98Very high97.6Very high59 Ų5950 Ų5028%0.27626%0.255SS..Hα-helixtrans-69.2-39.4174.7-64.9-56.4-7800112.6L148 W177 L178 L179 A184L148-Q181 HydrophobicContact CD1-CB 3.54Å; L148-Q181 HydrophobicContact CD1-CG 3.88Å; L148-Q181 HydrophobicContact CD2-CB 4.22Å; L148-Q181 HydrophobicContact CG-CB 4.47Å; W177-Q181 HydrophobicContact CD2-CG 4.04Å; W177-Q181 HydrophobicContact CE3-CG 4.24Å; W177-Q181 HydrophobicContact CH2-CG 3.83Å; W177-Q181 HydrophobicContact CZ2-CG 3.59Å; W177-Q181 HydrophobicContact CZ3-CG 4.14Å; W177-Q181 WeakPolarHBondContact O-CG 3.16Å; W177-Q181 PolarHBondContact O-N 2.84Å; L178-Q181 PolarHBondContact O-N 3.21Å; L179-Q181 VanDerWaalsContact C-N 3.3Å; L179-Q181 PolarHBondContact O-N 2.75Å; Q181-A184 PolarHBondContact O-N 3.15Å
182L98.1Very high97.8Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-67.1-41177.9-74.8179.6000112.7L148 M160 F162 L178 L179 A184 I185 L191 L218L148-L182 HydrophobicContact CD2-CD2 3.42Å; L148-L182 VanDerWaalsContact CD2-CD2 3.42Å; L148-L182 HydrophobicContact CD2-CG 3.95Å; M160-L182 HydrophobicContact CB-CD1 4.1Å; M160-L182 HydrophobicContact CB-CD2 4.31Å; M160-L182 HydrophobicContact CG-CD1 4.37Å; M160-L182 HydrophobicContact CG-CD2 3.67Å; F162-L182 HydrophobicContact CE1-CD1 3.66Å; F162-L182 HydrophobicContact CZ-CD1 3.46Å; F162-L182 VanDerWaalsContact CZ-CD1 3.46Å; L178-L182 WeakPolarHBondContact O-CG 3.25Å; L178-L182 PolarHBondContact O-N 3.2Å; L179-L182 PolarHBondContact O-N 2.94Å; L179-L182 VanDerWaalsContact O-N 3.12Å; L182-A184 PolarHBondContact O-N 3.33Å; L182-I185 HydrophobicContact CD2-CD1 4.43Å; L182-I185 PolarHBondContact O-N 3.37Å; L182-L191 HydrophobicContact CD1-CD1 4.13Å; L182-L218 HydrophobicContact CB-CD1 3.9Å; L182-L218 HydrophobicContact CD1-CD1 4.47Å
183E98.3Very high98Very high49 Ų4945.9 Ų45.923%0.22924%0.235CC..Hα-helixtrans-63-23.4177.5-70.8167.1171.900112.6L179 I185 R212 S216 T217 L218L179-E183 WeakPolarHBondContact O-CB 3.46Å; L179-E183 WeakPolarHBondContact O-CG 3.45Å; L179-E183 PolarHBondContact O-N 2.85Å; E183-I185 VanDerWaalsContact C-N 3.3Å; E183-R212 VanDerWaalsContact CD-NH2 3.3Å; E183-R212 IonicContact OE1-CZ 2.65Å; E183-R212 IonicContact OE1-NH1 2.93Å; E183-R212 PolarHBondContact OE1-NH1 3.09Å; E183-R212 IonicContact OE1-NH2 3.77Å; E183-R212 PolarHBondContact OE1-NH2 3.5Å; E183-R212 IonicContact OE2-CZ 3.29Å; E183-R212 IonicContact OE2-NH1 3.57Å; E183-R212 IonicContact OE2-NH2 3.78Å; E183-R212 PolarHBondContact OE2-NH2 3.29Å; E183-S216 WeakPolarHBondContact OE1-CA 3.29Å; E183-S216 VanDerWaalsContact OE1-CB 3.22Å; E183-S216 WeakPolarHBondContact OE1-CB 3.33Å; E183-S216 PolarHBondContact OE1-OG 2.82Å; E183-T217 WeakPolarHBondContact CG-OG1 3.46Å; E183-T217 PolarHBondContact OE1-N 2.98Å; E183-L218 HydrophobicContact CG-CD1 4.15Å; E183-L218 HydrophobicContact CG-CD2 4.49Å; E183-L218 HydrophobicContact CG-CG 3.87Å
184A98.1Very high98.1Very high75 Ų7541.7 Ų41.762%0.6222%0.216SC*.THydrogen-bonded Turntrans-77.5-12.717500000113.5T180 Q181 L182 P186T180-A184 PolarHBondContact O-N 2.98Å; Q181-A184 PolarHBondContact O-N 3.15Å; L182-A184 PolarHBondContact O-N 3.33Å; A184-P186 WeakPolarHBondContact O-CD 3.46Å
185I98.4Very high98.2Very high16 Ų1640.1 Ų40.18%0.08221%0.209CC..SBendtrans-92.9108.3-179.7-58.9171.8000109L148 V151 A152 L182 E183 H187 I188L148-I185 HydrophobicContact CD2-CD1 4.27Å; V151-I185 HydrophobicContact CB-CD1 4.39Å; V151-I185 HydrophobicContact CG1-CD1 4.04Å; A152-I185 HydrophobicContact CB-CD1 4.26Å; A152-I185 HydrophobicContact CB-CG1 4.37Å; L182-I185 HydrophobicContact CD2-CD1 4.43Å; L182-I185 PolarHBondContact O-N 3.37Å; E183-I185 VanDerWaalsContact C-N 3.3Å; I185-H187 VanDerWaalsContact C-N 3.31Å; I185-H187 WeakPolarHBondContact CG2-CE1 3.45Å; I185-H187 VanDerWaalsContact CG2-NE2 3.32Å; I185-H187 WeakPolarHBondContact CG2-NE2 3.41Å; I185-H187 PolarHBondContact O-N 2.88Å; I185-H187 VanDerWaalsContact O-N 3.14Å; I185-I188 HydrophobicContact CB-CB 4.45Å; I185-I188 HydrophobicContact CB-CG1 3.95Å; I185-I188 HydrophobicContact CG2-CG1 3.7Å; I185-I188 PolarHBondContact O-N 2.96Å; I185-I188 VanDerWaalsContact O-N 3.08Å
186P97.9Very high98.3Very high124 Ų12440.7 Ų40.781%0.80521%0.211SC*.THydrogen-bonded Turntrans-62.6-28.6-165.8-25.835.4000116A184A184-P186 WeakPolarHBondContact O-CD 3.46Å
187H98.2Very high98.3Very high40 Ų4037.4 Ų37.419%0.18519%0.194CC..THydrogen-bonded Turntrans-80.3-16.4179.845.8-91.1000113.8V151 A152 H154 L157 D158 I185 K189V151-H187 PolarHBondContact O-NE2 3.09Å; A152-H187 PolarHBondContact O-CE1 3.24Å; H154-H187 PolarHBondContact O-NE2 3.19Å; L157-H187 PolarHBondContact O-CD2 2.95Å; D158-H187 WeakPolarHBondContact CA-O 3.17Å; I185-H187 VanDerWaalsContact C-N 3.31Å; I185-H187 WeakPolarHBondContact CG2-CE1 3.45Å; I185-H187 VanDerWaalsContact CG2-NE2 3.32Å; I185-H187 WeakPolarHBondContact CG2-NE2 3.41Å; I185-H187 PolarHBondContact O-N 2.88Å; I185-H187 VanDerWaalsContact O-N 3.14Å; H187-K189 PolarHBondContact O-N 3.17Å
188I98.6Very high98.3Very high10 Ų1035.1 Ų35.15%0.05119%0.185CC..  trans-80.9121.7179.2-58.9-58.2000110.2V151 L157 M160 I185 L218V151-I188 HydrophobicContact CG1-CD1 3.65Å; V151-I188 HydrophobicContact CG1-CG1 3.93Å; L157-I188 HydrophobicContact CB-CD1 4.02Å; M160-I188 HydrophobicContact CG-CD1 4.16Å; M160-I188 HydrophobicContact CG-CG2 4.33Å; I185-I188 HydrophobicContact CB-CB 4.45Å; I185-I188 HydrophobicContact CB-CG1 3.95Å; I185-I188 HydrophobicContact CG2-CG1 3.7Å; I185-I188 PolarHBondContact O-N 2.96Å; I185-I188 VanDerWaalsContact O-N 3.08Å; I188-L218 HydrophobicContact CG2-CD2 4.02Å; I188-L218 WeakPolarHBondContact O-CD2 3.41Å
189K98.4Very high98.3Very high126 Ų12635.1 Ų35.155%0.54819%0.185SC..  trans-114-26.9-175.6-63174.5-173.7168.50113D158 H187 Q219D158-K189 HydrophobicContact CB-CD 4.47Å; D158-K189 PolarHBondContact O-N 2.75Å; H187-K189 PolarHBondContact O-N 3.17Å; K189-Q219 PolarHBondContact O-N 3.26Å
190R98.6Very high98.3Very high91 Ų9135.1 Ų35.134%0.34319%0.185SC..EExtended strand (participates in β ladder)trans-132.9141-170.4-55.8-173.3-179110.20.5111.4D158 E159 M160 Q219 L221D158-R190 PolarHBondContact O-N 2.86Å; D158-R190 IonicContact OD2-NH1 2.71Å; E159-R190 WeakPolarHBondContact CA-O 3.49Å; E159-R190 HydrophobicContact CB-CB 4.17Å; E159-R190 HydrophobicContact CG-CB 4.05Å; M160-R190 PolarHBondContact N-O 3.08Å; R190-Q219 WeakPolarHBondContact CA-O 3.29Å; R190-Q219 HydrophobicContact CG-CB 4.24Å; R190-L221 HydrophobicContact CB-CD1 4.37Å
191L98.8Very high98.3Very high0 Ų032.3 Ų32.30%017%0.167CC..EExtended strand (participates in β ladder)trans-119.1119.3167.8173.760.3000108.8M160 F162 L179 L182 I193 L218 Q219 I220 L221M160-L191 HydrophobicContact CB-CD1 4.37Å; M160-L191 WeakPolarHBondContact O-CA 3.23Å; F162-L191 HydrophobicContact CB-CD1 4.42Å; F162-L191 HydrophobicContact CD1-CD1 3.7Å; F162-L191 HydrophobicContact CD2-CD1 3.77Å; F162-L191 HydrophobicContact CD2-CD2 4.21Å; F162-L191 HydrophobicContact CE1-CD1 3.79Å; F162-L191 HydrophobicContact CE2-CD1 3.84Å; F162-L191 HydrophobicContact CE2-CD2 3.91Å; F162-L191 HydrophobicContact CG-CD1 3.69Å; F162-L191 HydrophobicContact CZ-CD1 3.83Å; F162-L191 HydrophobicContact CZ-CD2 4.38Å; L179-L191 HydrophobicContact CD1-CD2 3.86Å; L179-L191 HydrophobicContact CD2-CD2 4.34Å; L179-L191 HydrophobicContact CG-CD2 3.88Å; L182-L191 HydrophobicContact CD1-CD1 4.13Å; L191-I193 HydrophobicContact CD1-CG1 4.39Å; L191-I193 HydrophobicContact CD2-CD1 4.17Å; L191-I193 HydrophobicContact CD2-CG1 4.25Å; L191-I193 HydrophobicContact CG-CD1 4.42Å; L191-I193 HydrophobicContact CG-CG1 3.99Å; L191-L218 HydrophobicContact CB-CB 4.42Å; L191-L218 HydrophobicContact CB-CD1 3.98Å; L191-Q219 PolarHBondContact N-O 2.75Å; L191-I220 CarbonylContact O-C 3.57Å; L191-I220 WeakPolarHBondContact O-CA 3.44Å; L191-L221 PolarHBondContact O-N 2.99Å
192R98.8Very high98.2Very high35 Ų3529.9 Ų29.913%0.13216%0.157CC..EExtended strand (participates in β ladder)trans-107124.9173-172.2-171.5-57.2-154.73.1109.8E159 M160 I161 F162 H194 L221 V223 Y282E159-R192 IonicContact OE1-CZ 3.77Å; E159-R192 IonicContact OE1-NE 3.11Å; E159-R192 PolarHBondContact OE1-NE 2.83Å; E159-R192 IonicContact OE1-NH2 3.29Å; E159-R192 PolarHBondContact OE1-NH2 2.88Å; E159-R192 IonicContact OE2-CZ 3.28Å; E159-R192 IonicContact OE2-NH2 3.18Å; E159-R192 PolarHBondContact OE2-NH2 2.88Å; E159-R192 VanDerWaalsContact OE2-NH2 3.16Å; M160-R192 PolarHBondContact O-N 2.91Å; I161-R192 CarbonylContact C-O 3.52Å; I161-R192 VanDerWaalsContact CA-O 3.23Å; I161-R192 WeakPolarHBondContact CA-O 3.49Å; I161-R192 HydrophobicContact CG1-CB 4.28Å; F162-R192 PolarHBondContact N-O 2.78Å; R192-H194 WeakPolarHBondContact CD-NE2 3.42Å; R192-L221 CarbonylContact C-O 3.55Å; R192-L221 WeakPolarHBondContact CA-O 3.5Å; R192-L221 HydrophobicContact CB-CB 4.47Å; R192-L221 HydrophobicContact CG-CB 4.24Å; R192-V223 HydrophobicContact CG-CG2 3.72Å; R192-Y282 PolarHBondContact NH1-OH 3.09Å
193I98.8Very high98.1Very high1 Ų131.3 Ų31.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-110.3121.6-179.4-53.5177000107.8F162 P167 L168 L191 F213 I220 L221 L222 V223F162-I193 HydrophobicContact CB-CG1 4.33Å; F162-I193 HydrophobicContact CB-CG2 4.42Å; F162-I193 HydrophobicContact CD2-CG1 4.4Å; P167-I193 HydrophobicContact CB-CG2 4.34Å; P167-I193 HydrophobicContact CG-CG2 3.67Å; L168-I193 HydrophobicContact CD2-CG2 4.06Å; L168-I193 HydrophobicContact CG-CG2 4.14Å; L191-I193 HydrophobicContact CD1-CG1 4.39Å; L191-I193 HydrophobicContact CD2-CD1 4.17Å; L191-I193 HydrophobicContact CD2-CG1 4.25Å; L191-I193 HydrophobicContact CG-CD1 4.42Å; L191-I193 HydrophobicContact CG-CG1 3.99Å; I193-F213 HydrophobicContact CD1-CE1 4.27Å; I193-F213 HydrophobicContact CD1-CE2 4.25Å; I193-F213 HydrophobicContact CD1-CZ 3.56Å; I193-I220 HydrophobicContact CD1-CG2 4.21Å; I193-L221 PolarHBondContact N-O 3.01Å; I193-L222 HydrophobicContact CB-CD1 4.01Å; I193-L222 HydrophobicContact CG2-CD1 3.98Å; I193-L222 WeakPolarHBondContact O-CA 3.42Å; I193-V223 PolarHBondContact O-N 2.78Å
194H98.5Very high98.1Very high36 Ų3629 Ų2917%0.16716%0.158CC..EExtended strand (participates in β ladder)trans-100.8110.7174.2-73.4-120000109.1I161 F162 P167 R192 Q253I161-H194 VanDerWaalsContact CG2-CD2 3.48Å; I161-H194 WeakPolarHBondContact CG2-CD2 3.49Å; F162-H194 PolarHBondContact O-N 2.6Å; P167-H194 WeakPolarHBondContact CD-O 3.49Å; P167-H194 WeakPolarHBondContact CG-O 3.38Å; R192-H194 WeakPolarHBondContact CD-NE2 3.42Å; H194-Q253 PolarHBondContact CE1-OE1 2.82Å; H194-Q253 VanDerWaalsContact CE1-OE1 3.25Å; H194-Q253 PolarHBondContact ND1-OE1 3.03Å
195S98.6Very high98.1Very high4 Ų425.8 Ų25.83%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-142141.1-174.9-176.10000112.2D166 L168 L197 P198 V223 N224 H225D166-S195 WeakPolarHBondContact OD1-CB 3.24Å; D166-S195 PolarHBondContact OD1-OG 2.97Å; D166-S195 PolarHBondContact OD2-OG 2.9Å; L168-S195 WeakPolarHBondContact CD1-OG 3.45Å; S195-L197 WeakPolarHBondContact OG-CB 3.37Å; S195-L197 PolarHBondContact OG-N 3.28Å; S195-L197 VanDerWaalsContact OG-N 3.16Å; S195-P198 VanDerWaalsContact OG-CD 3.23Å; S195-P198 WeakPolarHBondContact OG-CD 3.44Å; S195-V223 PolarHBondContact N-O 3.39Å; S195-N224 WeakPolarHBondContact O-CA 3.5Å; S195-H225 PolarHBondContact O-N 3.4Å
196R98.1Very high98Very high12 Ų1226 Ų265%0.04513%0.132CC..SBendtrans-101.3-11.9168.4-162.3160.8-162.5-158.5-1.6111.8V122 C124 Y126 D166 I199 V200 H225 E231V122-R196 HydrophobicContact CG1-CG 4.21Å; C124-R196 PolarHBondContact SG-NH1 3.08Å; Y126-R196 VanDerWaalsContact OH-CZ 3.27Å; Y126-R196 PolarHBondContact OH-NH1 3.16Å; D166-R196 PolarHBondContact OD2-N 3.05Å; R196-I199 HydrophobicContact CG-CB 4.45Å; R196-I199 WeakPolarHBondContact O-CB 3.33Å; R196-I199 PolarHBondContact O-N 3.43Å; R196-I199 VanDerWaalsContact O-N 3.09Å; R196-V200 PolarHBondContact O-N 2.83Å; R196-H225 HydrophobicContact CB-CB 4.14Å; R196-H225 HydrophobicContact CG-CB 4.18Å; R196-H225 PolarHBondContact NE-O 3.13Å; R196-E231 IonicContact CZ-OE2 3.71Å; R196-E231 IonicContact NE-OE2 3.64Å; R196-E231 IonicContact NH2-OE1 2.87Å; R196-E231 PolarHBondContact NH2-OE1 3.49Å; R196-E231 IonicContact NH2-OE2 2.8Å; R196-E231 PolarHBondContact NH2-OE2 2.81Å
197L98Very high97.9Very high0 Ų025.3 Ų25.30%012%0.122CC..Hα-helixtrans-59.1-42.7-175.3-171.155.2000114W15 A121 D166 L168 M169 S195 I199 V200 I201 R204W15-L197 HydrophobicContact CZ3-CD2 4.43Å; A121-L197 HydrophobicContact CB-CD1 3.34Å; D166-L197 WeakPolarHBondContact OD2-CB 3.23Å; D166-L197 PolarHBondContact OD2-N 2.82Å; L168-L197 VanDerWaalsContact C-CD2 3.47Å; L168-L197 HydrophobicContact CB-CB 4.23Å; L168-L197 HydrophobicContact CB-CD2 3.95Å; L168-L197 VanDerWaalsContact O-CD2 3.3Å; L168-L197 WeakPolarHBondContact O-CD2 3.38Å; M169-L197 HydrophobicContact CG-CD2 4.23Å; M169-L197 HydrophobicContact SD-CD1 4.5Å; M169-L197 HydrophobicContact SD-CD2 4.05Å; S195-L197 WeakPolarHBondContact OG-CB 3.37Å; S195-L197 PolarHBondContact OG-N 3.28Å; S195-L197 VanDerWaalsContact OG-N 3.16Å; L197-I199 PolarHBondContact O-N 3.12Å; L197-V200 HydrophobicContact CD1-CG2 4.17Å; L197-V200 PolarHBondContact O-N 3.41Å; L197-V200 VanDerWaalsContact O-N 3.17Å; L197-I201 HydrophobicContact CD1-CB 3.97Å; L197-I201 HydrophobicContact CD1-CD1 4.06Å; L197-I201 HydrophobicContact CD1-CG1 4.19Å; L197-I201 CarbonylContact O-C 3.5Å; L197-I201 WeakPolarHBondContact O-CA 3.41Å; L197-I201 PolarHBondContact O-N 3.35Å; L197-R204 HydrophobicContact CD2-CB 4.11Å; L197-R204 HydrophobicContact CD2-CG 3.59Å; L197-R204 HydrophobicContact CG-CB 3.92Å; L197-R204 HydrophobicContact CG-CG 3.88Å
198P97.7Very high97.8Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-64.1-23.9178-23.635.4000113L168 S195 P202 I205 L222 F236 M240L168-P198 HydrophobicContact CD1-CG 3.61Å; S195-P198 VanDerWaalsContact OG-CD 3.23Å; S195-P198 WeakPolarHBondContact OG-CD 3.44Å; P198-P202 VanDerWaalsContact O-CA 3.23Å; P198-P202 WeakPolarHBondContact O-CA 3.45Å; P198-P202 VanDerWaalsContact O-CG 3.29Å; P198-P202 WeakPolarHBondContact O-CG 3.23Å; P198-I205 HydrophobicContact CB-CD1 4.13Å; P198-I205 HydrophobicContact CB-CG1 4.12Å; P198-I205 HydrophobicContact CG-CD1 3.81Å; P198-I205 HydrophobicContact CG-CG1 4.36Å; P198-L222 HydrophobicContact CG-CD2 4.31Å; P198-F236 WeakPolarHBondContact O-CD2 3.45Å; P198-M240 HydrophobicContact CB-CE 3.75Å
199I98Very high97.7Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-73-48.2176.7-58.563.5000108.6R62 R196 L197 N224 I226 E231 F236R62-I199 PolarHBondContact NH1-O 3.26Å; R62-I199 PolarHBondContact NH2-O 2.65Å; R196-I199 HydrophobicContact CG-CB 4.45Å; R196-I199 WeakPolarHBondContact O-CB 3.33Å; R196-I199 PolarHBondContact O-N 3.43Å; R196-I199 VanDerWaalsContact O-N 3.09Å; L197-I199 PolarHBondContact O-N 3.12Å; I199-N224 HydrophobicContact CD1-CB 3.86Å; I199-N224 WeakPolarHBondContact CD1-OD1 3.34Å; I199-I226 HydrophobicContact CD1-CG1 4.29Å; I199-I226 HydrophobicContact CG1-CD1 3.97Å; I199-I226 HydrophobicContact CG1-CG1 3.42Å; I199-I226 VanDerWaalsContact CG1-CG1 3.42Å; I199-I226 HydrophobicContact CG2-CG1 4.25Å; I199-E231 HydrophobicContact CG2-CB 3.99Å; I199-F236 HydrophobicContact CD1-CE2 4.04Å; I199-F236 HydrophobicContact CG1-CD2 4.43Å; I199-F236 HydrophobicContact CG1-CE2 3.94Å
200V97.9Very high97.7Very high0 Ų020.5 Ų20.50%011%0.112CC..Hα-helixtrans-90-22.6-172.8-59.40000114.6P56 S58 F59 A121 V122 R196 L197P56-V200 HydrophobicContact CB-CB 4.48Å; P56-V200 WeakPolarHBondContact CB-O 3.43Å; P56-V200 HydrophobicContact CG-CB 3.88Å; P56-V200 HydrophobicContact CG-CG2 3.89Å; S58-V200 PolarHBondContact OG-O 3.04Å; F59-V200 HydrophobicContact CB-CB 4.24Å; F59-V200 HydrophobicContact CB-CG1 4.19Å; F59-V200 HydrophobicContact CD2-CB 4.39Å; F59-V200 HydrophobicContact CD2-CG1 3.61Å; F59-V200 HydrophobicContact CE2-CG1 4.14Å; F59-V200 HydrophobicContact CG-CG1 3.94Å; A121-V200 HydrophobicContact CB-CG2 4.11Å; V122-V200 HydrophobicContact CB-CB 4.47Å; V122-V200 HydrophobicContact CB-CG1 4Å; V122-V200 HydrophobicContact CB-CG2 4.2Å; V122-V200 HydrophobicContact CG1-CB 4.36Å; V122-V200 HydrophobicContact CG1-CG1 3.68Å; V122-V200 HydrophobicContact CG1-CG2 3.89Å; V122-V200 HydrophobicContact CG2-CG1 4.38Å; R196-V200 PolarHBondContact O-N 2.83Å; L197-V200 HydrophobicContact CD1-CG2 4.17Å; L197-V200 PolarHBondContact O-N 3.41Å; L197-V200 VanDerWaalsContact O-N 3.17Å
201I97.7Very high97.7Very high0 Ų021.9 Ų21.90%012%0.122CC..  trans-141.580.7173.8-58.6179.6000107.4W15 Q18 L19 P56 A121 L197 A203 R204W15-I201 HydrophobicContact CB-CG2 3.85Å; Q18-I201 HydrophobicContact CB-CD1 4.2Å; Q18-I201 HydrophobicContact CB-CG1 4.47Å; Q18-I201 HydrophobicContact CB-CG2 3.95Å; L19-I201 HydrophobicContact CB-CD1 4.11Å; L19-I201 HydrophobicContact CD1-CD1 4.34Å; P56-I201 HydrophobicContact CB-CD1 4.06Å; P56-I201 HydrophobicContact CB-CG1 3.72Å; P56-I201 HydrophobicContact CG-CD1 3.95Å; P56-I201 HydrophobicContact CG-CG1 3.83Å; A121-I201 HydrophobicContact CB-CD1 4.02Å; L197-I201 HydrophobicContact CD1-CB 3.97Å; L197-I201 HydrophobicContact CD1-CD1 4.06Å; L197-I201 HydrophobicContact CD1-CG1 4.19Å; L197-I201 CarbonylContact O-C 3.5Å; L197-I201 WeakPolarHBondContact O-CA 3.41Å; L197-I201 PolarHBondContact O-N 3.35Å; I201-A203 HydrophobicContact CG2-CB 4.3Å; I201-A203 PolarHBondContact O-N 2.84Å; I201-A203 VanDerWaalsContact O-N 3.11Å; I201-R204 WeakPolarHBondContact O-CB 3.35Å; I201-R204 PolarHBondContact O-N 3.01Å
202P97.1Very high97.7Very high9 Ų923.6 Ų23.66%0.05813%0.128CC..G310 helixtrans-56.8-27.9-179.1-27.836.8000114.1P198 R204 I205 T235 F236 A239P198-P202 VanDerWaalsContact O-CA 3.23Å; P198-P202 WeakPolarHBondContact O-CA 3.45Å; P198-P202 VanDerWaalsContact O-CG 3.29Å; P198-P202 WeakPolarHBondContact O-CG 3.23Å; P202-R204 PolarHBondContact O-N 3.31Å; P202-I205 PolarHBondContact O-N 3.38Å; P202-T235 WeakPolarHBondContact CG-OG1 3.49Å; P202-F236 HydrophobicContact CG-CB 4.36Å; P202-A239 HydrophobicContact CB-CB 4.33Å
203A96.3Very high97.7Very high29 Ų2922.4 Ų22.424%0.2412%0.124CC..G310 helixtrans-58.8-15.7174.700000114D14 W15 I201 I205D14-A203 HydrophobicContact CB-CB 4.5Å; D14-A203 WeakPolarHBondContact OD2-CB 3.49Å; W15-A203 HydrophobicContact CB-CB 4.04Å; I201-A203 HydrophobicContact CG2-CB 4.3Å; I201-A203 PolarHBondContact O-N 2.84Å; I201-A203 VanDerWaalsContact O-N 3.11Å; A203-I205 PolarHBondContact O-N 2.8Å
204R97.3Very high97.6Very high0 Ų025 Ų250%014%0.143CC..G310 helixtrans-61.5-25.4173.4177.161-166.3100.6-11.8112.1W15 L168 A170 D172 L175 L197 I201 P202 T206W15-R204 HydrophobicContact CB-CB 4.26Å; W15-R204 VanDerWaalsContact CD2-CD 3.43Å; W15-R204 HydrophobicContact CG-CB 4.38Å; L168-R204 HydrophobicContact CB-CG 4.1Å; L168-R204 WeakPolarHBondContact O-CD 3.4Å; L168-R204 PolarHBondContact O-NE 3.37Å; A170-R204 PolarHBondContact O-NH2 3.17Å; D172-R204 IonicContact OD1-CZ 3.27Å; D172-R204 IonicContact OD1-NH1 2.71Å; D172-R204 PolarHBondContact OD1-NH1 2.84Å; D172-R204 IonicContact OD1-NH2 3.34Å; D172-R204 PolarHBondContact OD1-NH2 3.38Å; L175-R204 VanDerWaalsContact CD1-NH2 3.34Å; L197-R204 HydrophobicContact CD2-CB 4.11Å; L197-R204 HydrophobicContact CD2-CG 3.59Å; L197-R204 HydrophobicContact CG-CB 3.92Å; L197-R204 HydrophobicContact CG-CG 3.88Å; I201-R204 WeakPolarHBondContact O-CB 3.35Å; I201-R204 PolarHBondContact O-N 3.01Å; P202-R204 PolarHBondContact O-N 3.31Å; R204-T206 PolarHBondContact O-N 3.09Å
205I97.8Very high97.6Very high8 Ų829.3 Ų29.34%0.04116%0.163CC..SBendtrans-77.479.2172.6-53.4-49.1000108.7L168 P198 P202 A203 L209 V210 A239 M240 L243L168-I205 HydrophobicContact CD1-CD1 4.29Å; P198-I205 HydrophobicContact CB-CD1 4.13Å; P198-I205 HydrophobicContact CB-CG1 4.12Å; P198-I205 HydrophobicContact CG-CD1 3.81Å; P198-I205 HydrophobicContact CG-CG1 4.36Å; P202-I205 PolarHBondContact O-N 3.38Å; A203-I205 PolarHBondContact O-N 2.8Å; I205-L209 HydrophobicContact CD1-CD2 4.26Å; I205-V210 HydrophobicContact CG2-CG2 3.63Å; I205-A239 HydrophobicContact CB-CB 3.92Å; I205-A239 HydrophobicContact CG1-CB 3.85Å; I205-A239 HydrophobicContact CG2-CB 4.41Å; I205-M240 HydrophobicContact CG1-CE 4.36Å; I205-L243 HydrophobicContact CD1-CD1 3.9Å; I205-L243 HydrophobicContact CG1-CD1 4.19Å; I205-L243 HydrophobicContact CG2-CD1 4.28Å; I205-L243 HydrophobicContact CG2-CD2 3.91Å; I205-L243 HydrophobicContact CG2-CG 3.82Å
206T96.6Very high97.6Very high21 Ų2130.2 Ų30.213%0.12917%0.169CC..  trans-73.9156178.260.40000110.6D172 R204 A208 L209 V210D172-T206 PolarHBondContact OD2-OG1 2.82Å; R204-T206 PolarHBondContact O-N 3.09Å; T206-A208 VanDerWaalsContact C-N 3.25Å; T206-A208 PolarHBondContact O-N 2.81Å; T206-L209 PolarHBondContact O-N 3.02Å; T206-L209 WeakPolarHBondContact OG1-CB 3.37Å; T206-L209 PolarHBondContact OG1-N 3.35Å; T206-L209 VanDerWaalsContact OG1-N 3.07Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.1Å; T206-V210 PolarHBondContact O-N 3.31Å
207D95.9Very high97.5Very high110 Ų11035 Ų3559%0.58820%0.199SC*.Hα-helixtrans-64.5-34.1175.2-62.4-29.8000111.1V210 E211 K242D207-V210 PolarHBondContact O-N 3.42Å; D207-E211 WeakPolarHBondContact O-CB 3.48Å; D207-E211 PolarHBondContact O-N 2.92Å; D207-K242 IonicContact OD1-NZ 3.73Å; D207-K242 PolarHBondContact OD1-NZ 3.28Å
208A96.2Very high97.6Very high55 Ų5535.5 Ų35.546%0.45520%0.202SC..Hα-helixtrans-62.7-41.8174.100000112.8T206 E211 R212T206-A208 VanDerWaalsContact C-N 3.25Å; T206-A208 PolarHBondContact O-N 2.81Å; A208-E211 PolarHBondContact O-N 3.16Å; A208-R212 PolarHBondContact O-N 3.29Å
209L97.7Very high97.6Very high2 Ų240 Ų401%0.0122%0.223CC..Hα-helixtrans-65.2-44.9175.2-177.465.9000111.4L168 L175 I205 T206 E211 R212 F213L168-L209 HydrophobicContact CD2-CD2 4.4Å; L175-L209 HydrophobicContact CD1-CD1 3.66Å; I205-L209 HydrophobicContact CD1-CD2 4.26Å; T206-L209 PolarHBondContact O-N 3.02Å; T206-L209 WeakPolarHBondContact OG1-CB 3.37Å; T206-L209 PolarHBondContact OG1-N 3.35Å; T206-L209 VanDerWaalsContact OG1-N 3.07Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.75Å; L209-R212 PolarHBondContact O-N 3.37Å; L209-F213 HydrophobicContact CD1-CD1 4.22Å; L209-F213 HydrophobicContact CD1-CE1 3.59Å; L209-F213 HydrophobicContact CD1-CE2 4.33Å; L209-F213 HydrophobicContact CD1-CZ 3.66Å; L209-F213 HydrophobicContact CD2-CE2 4.37Å; L209-F213 HydrophobicContact CD2-CZ 4.29Å; L209-F213 HydrophobicContact CG-CE1 4.23Å; L209-F213 HydrophobicContact CG-CE2 4.14Å; L209-F213 HydrophobicContact CG-CZ 3.97Å; L209-F213 WeakPolarHBondContact O-CG 3.32Å; L209-F213 PolarHBondContact O-N 3.46Å
210V98.2Very high97.6Very high17 Ų1740.4 Ų40.410%0.10323%0.225CC..Hα-helixtrans-60.9-43.3178.1172.50000110.6I205 T206 D207 F213 S214 K242 L243 V246I205-V210 HydrophobicContact CG2-CG2 3.63Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.1Å; T206-V210 PolarHBondContact O-N 3.31Å; D207-V210 PolarHBondContact O-N 3.42Å; V210-F213 PolarHBondContact O-N 3.01Å; V210-S214 PolarHBondContact O-N 2.94Å; V210-K242 HydrophobicContact CG1-CB 4.49Å; V210-K242 HydrophobicContact CG2-CB 4Å; V210-K242 HydrophobicContact CG2-CD 4.49Å; V210-L243 HydrophobicContact CG2-CD2 4.14Å; V210-V246 HydrophobicContact CG1-CB 4.47Å; V210-V246 HydrophobicContact CG1-CG1 3.61Å; V210-V246 HydrophobicContact CG1-CG2 4Å
211E98Very high97.7Very high120 Ų12041.3 Ų41.356%0.56123%0.23SC*.Hα-helixtrans-63.6-42.8176.1-175.6160.7-175.300111.6D207 A208 L209 F213 S214 H215D207-E211 WeakPolarHBondContact O-CB 3.48Å; D207-E211 PolarHBondContact O-N 2.92Å; A208-E211 PolarHBondContact O-N 3.16Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.75Å; E211-F213 VanDerWaalsContact C-N 3.31Å; E211-F213 PolarHBondContact O-N 2.86Å; E211-S214 PolarHBondContact O-N 3.1Å; E211-S214 PolarHBondContact O-OG 3.48Å; E211-H215 PolarHBondContact O-N 3.01Å; E211-H215 PolarHBondContact O-ND1 3.25Å; E211-H215 IonicContact OE1-CE1 3.77Å
212R98Very high97.7Very high36 Ų3641.4 Ų41.414%0.13623%0.231CC..Hα-helixtrans-61.3-40.2175.8-179.553.5-177.8106.1-12112.7D176 L179 T180 E183 A208 L209 S214 H215 S216D176-R212 HydrophobicContact CB-CG 4.39Å; D176-R212 WeakPolarHBondContact OD1-CD 3.43Å; D176-R212 IonicContact OD1-CZ 3.55Å; D176-R212 IonicContact OD1-NE 3.6Å; D176-R212 PolarHBondContact OD1-NE 3.41Å; L179-R212 HydrophobicContact CD2-CG 4.43Å; T180-R212 PolarHBondContact OG1-NH2 3.18Å; T180-R212 VanDerWaalsContact OG1-NH2 3.09Å; E183-R212 VanDerWaalsContact CD-NH2 3.3Å; E183-R212 IonicContact OE1-CZ 2.65Å; E183-R212 IonicContact OE1-NH1 2.93Å; E183-R212 PolarHBondContact OE1-NH1 3.09Å; E183-R212 IonicContact OE1-NH2 3.77Å; E183-R212 PolarHBondContact OE1-NH2 3.5Å; E183-R212 IonicContact OE2-CZ 3.29Å; E183-R212 IonicContact OE2-NH1 3.57Å; E183-R212 IonicContact OE2-NH2 3.78Å; E183-R212 PolarHBondContact OE2-NH2 3.29Å; A208-R212 PolarHBondContact O-N 3.29Å; L209-R212 PolarHBondContact O-N 3.37Å; R212-S214 VanDerWaalsContact C-N 3.34Å; R212-H215 PolarHBondContact O-N 3.3Å; R212-S216 PolarHBondContact O-N 3.34Å
213F98.5Very high97.8Very high11 Ų1141 Ų415%0.04823%0.228CC..Hα-helixtrans-66.6-36.5176.7-73.30.6000112.1L179 I193 L209 V210 E211 H215 S216 I220 L243 V246 V248L179-F213 HydrophobicContact CD1-CE1 4.38Å; L179-F213 HydrophobicContact CD2-CD1 3.95Å; L179-F213 HydrophobicContact CD2-CE1 4.09Å; I193-F213 HydrophobicContact CD1-CE1 4.27Å; I193-F213 HydrophobicContact CD1-CE2 4.25Å; I193-F213 HydrophobicContact CD1-CZ 3.56Å; L209-F213 HydrophobicContact CD1-CD1 4.22Å; L209-F213 HydrophobicContact CD1-CE1 3.59Å; L209-F213 HydrophobicContact CD1-CE2 4.33Å; L209-F213 HydrophobicContact CD1-CZ 3.66Å; L209-F213 HydrophobicContact CD2-CE2 4.37Å; L209-F213 HydrophobicContact CD2-CZ 4.29Å; L209-F213 HydrophobicContact CG-CE1 4.23Å; L209-F213 HydrophobicContact CG-CE2 4.14Å; L209-F213 HydrophobicContact CG-CZ 3.97Å; L209-F213 WeakPolarHBondContact O-CG 3.32Å; L209-F213 PolarHBondContact O-N 3.46Å; V210-F213 PolarHBondContact O-N 3.01Å; E211-F213 VanDerWaalsContact C-N 3.31Å; E211-F213 PolarHBondContact O-N 2.86Å; F213-H215 PolarHBondContact O-N 3.38Å; F213-S216 WeakPolarHBondContact O-CB 3.26Å; F213-S216 PolarHBondContact O-N 3.21Å; F213-S216 VanDerWaalsContact O-N 3.15Å; F213-I220 HydrophobicContact CB-CD1 3.83Å; F213-I220 HydrophobicContact CD1-CD1 3.57Å; F213-I220 HydrophobicContact CD2-CD1 4.33Å; F213-I220 HydrophobicContact CD2-CG2 4.43Å; F213-I220 HydrophobicContact CE1-CD1 4.17Å; F213-I220 HydrophobicContact CE2-CG2 4.36Å; F213-I220 HydrophobicContact CG-CD1 3.65Å; F213-L243 HydrophobicContact CD2-CD2 3.79Å; F213-L243 HydrophobicContact CE2-CD2 4.04Å; F213-V246 HydrophobicContact CB-CG2 4.31Å; F213-V248 HydrophobicContact CB-CG2 4.32Å; F213-V248 HydrophobicContact CD2-CG2 3.82Å; F213-V248 HydrophobicContact CG-CG2 4.49Å
214S98.2Very high97.9Very high56 Ų5639.6 Ų39.639%0.39222%0.216SC..Hα-helixtrans-63.3-26.6177.779.10000114V210 E211 R212V210-S214 PolarHBondContact O-N 2.94Å; E211-S214 PolarHBondContact O-N 3.1Å; E211-S214 PolarHBondContact O-OG 3.48Å; R212-S214 VanDerWaalsContact C-N 3.34Å
215H97.7Very high98Very high126 Ų12641.2 Ų41.258%0.58322%0.224SC*.THydrogen-bonded Turntrans-95.10178.9-63.4125.8000113.5E211 R212 F213E211-H215 PolarHBondContact O-N 3.01Å; E211-H215 PolarHBondContact O-ND1 3.25Å; E211-H215 IonicContact OE1-CE1 3.77Å; R212-H215 PolarHBondContact O-N 3.3Å; F213-H215 PolarHBondContact O-N 3.38Å
216S98.1Very high98Very high22 Ų2240.8 Ų40.815%0.15422%0.222CC..  trans-74.5139.9-177.2-168.70000112.2E183 R212 F213 L218E183-S216 WeakPolarHBondContact OE1-CA 3.29Å; E183-S216 VanDerWaalsContact OE1-CB 3.22Å; E183-S216 WeakPolarHBondContact OE1-CB 3.33Å; E183-S216 PolarHBondContact OE1-OG 2.82Å; R212-S216 PolarHBondContact O-N 3.34Å; F213-S216 WeakPolarHBondContact O-CB 3.26Å; F213-S216 PolarHBondContact O-N 3.21Å; F213-S216 VanDerWaalsContact O-N 3.15Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact OG-N 3.15Å
217T97.4Very high98.1Very high112 Ų11239.8 Ų39.869%0.68722%0.216SC*.SBendtrans-80.4-14.4171.162.70000112.5E183E183-T217 WeakPolarHBondContact CG-OG1 3.46Å; E183-T217 PolarHBondContact OE1-N 2.98Å
218L98.5Very high98.2Very high12 Ų1235.6 Ų35.66%0.06319%0.192CC..SBendtrans-81.3144.7178.8-56178.7000110.5L182 E183 I188 L191 S216 I220L182-L218 HydrophobicContact CB-CD1 3.9Å; L182-L218 HydrophobicContact CD1-CD1 4.47Å; E183-L218 HydrophobicContact CG-CD1 4.15Å; E183-L218 HydrophobicContact CG-CD2 4.49Å; E183-L218 HydrophobicContact CG-CG 3.87Å; I188-L218 HydrophobicContact CG2-CD2 4.02Å; I188-L218 WeakPolarHBondContact O-CD2 3.41Å; L191-L218 HydrophobicContact CB-CB 4.42Å; L191-L218 HydrophobicContact CB-CD1 3.98Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact OG-N 3.15Å; L218-I220 PolarHBondContact O-N 2.93Å
219Q98.6Very high98.3Very high95 Ų9533.9 Ų33.944%0.44418%0.178SC..EExtended strand (participates in β ladder)trans-71.7110.5163.4-179-178.426.200108.8K189 R190 L191 L221K189-Q219 PolarHBondContact O-N 3.26Å; R190-Q219 WeakPolarHBondContact CA-O 3.29Å; R190-Q219 HydrophobicContact CG-CB 4.24Å; L191-Q219 PolarHBondContact N-O 2.75Å; Q219-L221 HydrophobicContact CG-CD1 4.32Å
220I98.8Very high98.3Very high8 Ų837.7 Ų37.74%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-90.9130-179.6-56.4177.6000110.6L179 L191 I193 F213 L218 V248 T249L179-I220 HydrophobicContact CD2-CD1 3.95Å; L191-I220 CarbonylContact O-C 3.57Å; L191-I220 WeakPolarHBondContact O-CA 3.44Å; I193-I220 HydrophobicContact CD1-CG2 4.21Å; F213-I220 HydrophobicContact CB-CD1 3.83Å; F213-I220 HydrophobicContact CD1-CD1 3.57Å; F213-I220 HydrophobicContact CD2-CD1 4.33Å; F213-I220 HydrophobicContact CD2-CG2 4.43Å; F213-I220 HydrophobicContact CE1-CD1 4.17Å; F213-I220 HydrophobicContact CE2-CG2 4.36Å; F213-I220 HydrophobicContact CG-CD1 3.65Å; L218-I220 PolarHBondContact O-N 2.93Å; I220-V248 HydrophobicContact CB-CG2 4.33Å; I220-V248 HydrophobicContact CG2-CG1 4.14Å; I220-V248 HydrophobicContact CG2-CG2 4.24Å; I220-T249 PolarHBondContact O-N 2.74Å
221L98.8Very high98.3Very high19 Ų1936.9 Ų36.910%0.09919%0.193CC..EExtended strand (participates in β ladder)trans-119131.9171.3-55.794.7000109.3R190 L191 R192 I193 Q219 T249 L251R190-L221 HydrophobicContact CB-CD1 4.37Å; L191-L221 PolarHBondContact O-N 2.99Å; R192-L221 CarbonylContact C-O 3.55Å; R192-L221 WeakPolarHBondContact CA-O 3.5Å; R192-L221 HydrophobicContact CB-CB 4.47Å; R192-L221 HydrophobicContact CG-CB 4.24Å; I193-L221 PolarHBondContact N-O 3.01Å; Q219-L221 HydrophobicContact CG-CD1 4.32Å; L221-T249 CarbonylContact C-O 3.56Å; L221-T249 WeakPolarHBondContact CA-O 3.32Å; L221-T249 HydrophobicContact CD2-CG2 4.12Å; L221-L251 HydrophobicContact CD2-CD1 4.06Å
222L98.8Very high98.3Very high2 Ų231.6 Ų31.61%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-109.8116170.4177.866.3000109.1L168 I193 P198 M240 L243 V248 T249 L250 L251L168-L222 HydrophobicContact CD1-CD1 4.29Å; I193-L222 HydrophobicContact CB-CD1 4.01Å; I193-L222 HydrophobicContact CG2-CD1 3.98Å; I193-L222 WeakPolarHBondContact O-CA 3.42Å; P198-L222 HydrophobicContact CG-CD2 4.31Å; L222-M240 HydrophobicContact CD2-CE 4.18Å; L222-M240 HydrophobicContact CD2-SD 4.34Å; L222-L243 HydrophobicContact CD2-CD1 3.42Å; L222-L243 VanDerWaalsContact CD2-CD1 3.42Å; L222-V248 HydrophobicContact CB-CG1 3.96Å; L222-T249 PolarHBondContact N-O 2.97Å; L222-L250 HydrophobicContact CB-CD2 3.93Å; L222-L250 HydrophobicContact CD2-CD2 4.14Å; L222-L251 PolarHBondContact O-N 2.77Å
223V98.8Very high98.2Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-95.2103172.7-169.60000108.3R192 I193 S195 L251 Q253 Y282R192-V223 HydrophobicContact CG-CG2 3.72Å; I193-V223 PolarHBondContact O-N 2.78Å; S195-V223 PolarHBondContact N-O 3.39Å; V223-L251 HydrophobicContact CG1-CB 4.41Å; V223-L251 HydrophobicContact CG2-CB 4.16Å; V223-L251 HydrophobicContact CG2-CD1 4.25Å; V223-Q253 HydrophobicContact CG1-CB 3.95Å; V223-Q253 HydrophobicContact CG1-CG 3.85Å; V223-Y282 HydrophobicContact CG1-CD1 4.44Å
224N98.6Very high98.1Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-70.7153172.3-66.8-70.3000110.4S195 I199 I226 L251 N252 Q253S195-N224 WeakPolarHBondContact O-CA 3.5Å; I199-N224 HydrophobicContact CD1-CB 3.86Å; I199-N224 WeakPolarHBondContact CD1-OD1 3.34Å; N224-I226 HydrophobicContact CB-CD1 4.09Å; N224-I226 HydrophobicContact CB-CG1 4.33Å; N224-L251 WeakPolarHBondContact CB-O 3.47Å; N224-L251 PolarHBondContact N-O 3.06Å; N224-L251 PolarHBondContact ND2-O 3.06Å; N224-N252 CarbonylContact O-C 3.48Å; N224-N252 WeakPolarHBondContact O-CA 3.41Å; N224-N252 PolarHBondContact O-ND2 3.19Å; N224-N252 VanDerWaalsContact O-ND2 3.08Å; N224-Q253 PolarHBondContact O-N 3.22Å
225H98.3Very high98Very high33 Ų3336.7 Ų36.715%0.15319%0.194CC..EExtended strand (participates in β ladder)trans-117.194.5174.4-168.6170.5000110.4Y126 S195 R196 Q253Y126-H225 AromaticContact CE2-CE1 3.59Å; Y126-H225 AromaticContact CE2-NE2 3.43Å; Y126-H225 WeakPolarHBondContact CE2-NE2 3.48Å; Y126-H225 AromaticContact CZ-CE1 3.98Å; Y126-H225 AromaticContact CZ-NE2 3.67Å; Y126-H225 PolarHBondContact OH-CE1 3.42Å; Y126-H225 PolarHBondContact OH-NE2 2.83Å; S195-H225 PolarHBondContact O-N 3.4Å; R196-H225 HydrophobicContact CB-CB 4.14Å; R196-H225 HydrophobicContact CG-CB 4.18Å; R196-H225 PolarHBondContact NE-O 3.13Å; H225-Q253 WeakPolarHBondContact CA-O 3.39Å; H225-Q253 HydrophobicContact CB-CG 4.32Å; H225-Q253 PolarHBondContact CD2-O 3.02Å
226I98.8Very high98Very high0 Ų030.7 Ų30.70%017%0.167CC..  trans-128130-173.5-58.3164.4000108I199 N224 H228 E231 I232 F236 N252 Q253 S254 L270 L274I199-I226 HydrophobicContact CD1-CG1 4.29Å; I199-I226 HydrophobicContact CG1-CD1 3.97Å; I199-I226 HydrophobicContact CG1-CG1 3.42Å; I199-I226 VanDerWaalsContact CG1-CG1 3.42Å; I199-I226 HydrophobicContact CG2-CG1 4.25Å; N224-I226 HydrophobicContact CB-CD1 4.09Å; N224-I226 HydrophobicContact CB-CG1 4.33Å; I226-H228 WeakPolarHBondContact CG2-O 3.18Å; I226-E231 HydrophobicContact CG2-CB 3.76Å; I226-E231 HydrophobicContact CG2-CG 4.3Å; I226-I232 HydrophobicContact CD1-CD1 4.28Å; I226-I232 HydrophobicContact CD1-CG1 4.11Å; I226-I232 HydrophobicContact CG2-CD1 4.39Å; I226-I232 HydrophobicContact CG2-CG1 4.19Å; I226-F236 HydrophobicContact CD1-CE1 4Å; I226-F236 HydrophobicContact CD1-CE2 4.23Å; I226-F236 HydrophobicContact CD1-CZ 3.59Å; I226-N252 WeakPolarHBondContact CB-ND2 3.41Å; I226-N252 WeakPolarHBondContact CG1-ND2 3.44Å; I226-N252 PolarHBondContact N-ND2 2.95Å; I226-N252 PolarHBondContact O-OD1 3.46Å; I226-Q253 PolarHBondContact N-O 3.47Å; I226-S254 WeakPolarHBondContact O-CB 3.43Å; I226-S254 PolarHBondContact O-OG 3.33Å; I226-L270 HydrophobicContact CB-CD1 4.44Å; I226-L270 HydrophobicContact CG2-CD1 3.66Å; I226-L274 HydrophobicContact CD1-CD2 3.72Å
227N98.7Very high98Very high0 Ų033.7 Ų33.70%018%0.175CC..  trans-112-20.2-178.7-60.8-49000113.7Q75 Y126 E231 S254 V255 L257 V260 N261Q75-N227 PolarHBondContact OE1-ND2 2.84Å; Y126-N227 PolarHBondContact OH-ND2 2.85Å; N227-E231 PolarHBondContact N-OE1 2.81Å; N227-S254 WeakPolarHBondContact OD1-CA 3.26Å; N227-V255 PolarHBondContact OD1-N 2.9Å; N227-V255 PolarHBondContact OD1-O 3.32Å; N227-L257 HydrophobicContact CB-CD1 4.35Å; N227-V260 HydrophobicContact CB-CG1 4.29Å; N227-N261 VanDerWaalsContact O-CB 3.26Å; N227-N261 WeakPolarHBondContact O-CB 3.47Å; N227-N261 PolarHBondContact O-ND2 2.85Å
228H98.5Very high98.1Very high22 Ų2233.5 Ų33.510%0.10217%0.166CC..SBendtrans-137146.3-178.7-163.1-95.2000112L72 I226 N230 E231 V260 T266L72-H228 HydrophobicContact CD1-CB 3.91Å; I226-H228 WeakPolarHBondContact CG2-O 3.18Å; H228-N230 PolarHBondContact CE1-ND2 3.04Å; H228-N230 PolarHBondContact CE1-OD1 3.22Å; H228-N230 WeakPolarHBondContact ND1-CB 3.31Å; H228-N230 VanDerWaalsContact ND1-CG 3.29Å; H228-N230 PolarHBondContact ND1-N 3.15Å; H228-N230 PolarHBondContact ND1-OD1 3.22Å; H228-N230 PolarHBondContact O-N 3.44Å; H228-E231 HydrophobicContact CB-CG 4.44Å; H228-E231 PolarHBondContact N-OE1 3.39Å; H228-E231 VanDerWaalsContact O-CB 3.31Å; H228-E231 WeakPolarHBondContact O-CB 3.48Å; H228-E231 WeakPolarHBondContact O-CG 3.37Å; H228-E231 PolarHBondContact O-N 2.65Å; H228-V260 PolarHBondContact CD2-O 2.96Å; H228-V260 VanDerWaalsContact CD2-O 3.28Å; H228-T266 WeakPolarHBondContact CD2-CG2 3.18Å
229A96.7Very high98Very high19 Ų1933.2 Ų33.216%0.15717%0.165CC..G310 helixtrans-59.7-31.6-17900000112.7E231 I232 N269 A273A229-E231 PolarHBondContact O-N 2.78Å; A229-E231 VanDerWaalsContact O-N 3.15Å; A229-I232 WeakPolarHBondContact O-CB 3.4Å; A229-I232 PolarHBondContact O-N 2.8Å; A229-N269 HydrophobicContact CB-CB 4.43Å; A229-A273 HydrophobicContact CB-CB 4.05Å
230N97.5Very high98Very high81 Ų8128.7 Ų28.743%0.43314%0.144SC..G310 helixtrans-65.6-13.8178.1-59.14.4000113.1R62 L72 H228 I232R62-N230 WeakPolarHBondContact CD-O 3.26Å; L72-N230 HydrophobicContact CD1-CB 3.68Å; L72-N230 HydrophobicContact CD2-CB 4.25Å; H228-N230 PolarHBondContact CE1-ND2 3.04Å; H228-N230 PolarHBondContact CE1-OD1 3.22Å; H228-N230 WeakPolarHBondContact ND1-CB 3.31Å; H228-N230 VanDerWaalsContact ND1-CG 3.29Å; H228-N230 PolarHBondContact ND1-N 3.15Å; H228-N230 PolarHBondContact ND1-OD1 3.22Å; H228-N230 PolarHBondContact O-N 3.44Å; N230-I232 PolarHBondContact O-N 2.8Å
231E98.5Very high98Very high0 Ų029.7 Ų29.70%015%0.154CC..G310 helixtrans-74.4-11.9171.3-59.9178.5-136.500112.1F59 R62 L72 Q75 R196 I199 I226 N227 H228 A229F59-E231 HydrophobicContact CE2-CB 4.49Å; F59-E231 HydrophobicContact CE2-CG 3.9Å; F59-E231 HydrophobicContact CZ-CG 4.25Å; R62-E231 PolarHBondContact NH1-O 3.29Å; L72-E231 HydrophobicContact CD1-CG 3.86Å; L72-E231 HydrophobicContact CD2-CG 4.19Å; L72-E231 HydrophobicContact CG-CG 3.82Å; Q75-E231 PolarHBondContact NE2-OE1 2.74Å; Q75-E231 PolarHBondContact OE1-OE1 3.36Å; R196-E231 IonicContact CZ-OE2 3.71Å; R196-E231 IonicContact NE-OE2 3.64Å; R196-E231 IonicContact NH2-OE1 2.87Å; R196-E231 PolarHBondContact NH2-OE1 3.49Å; R196-E231 IonicContact NH2-OE2 2.8Å; R196-E231 PolarHBondContact NH2-OE2 2.81Å; I199-E231 HydrophobicContact CG2-CB 3.99Å; I226-E231 HydrophobicContact CG2-CB 3.76Å; I226-E231 HydrophobicContact CG2-CG 4.3Å; N227-E231 PolarHBondContact N-OE1 2.81Å; H228-E231 HydrophobicContact CB-CG 4.44Å; H228-E231 PolarHBondContact N-OE1 3.39Å; H228-E231 VanDerWaalsContact O-CB 3.31Å; H228-E231 WeakPolarHBondContact O-CB 3.48Å; H228-E231 WeakPolarHBondContact O-CG 3.37Å; H228-E231 PolarHBondContact O-N 2.65Å; A229-E231 PolarHBondContact O-N 2.78Å; A229-E231 VanDerWaalsContact O-N 3.15Å
232I97.9Very high98Very high10 Ų1032.1 Ų32.15%0.05116%0.163CC..  trans-100.797.1-175.6-58.4175.7000109.4I226 A229 N230 F236 R237 L270 A273 L274 A277I226-I232 HydrophobicContact CD1-CD1 4.28Å; I226-I232 HydrophobicContact CD1-CG1 4.11Å; I226-I232 HydrophobicContact CG2-CD1 4.39Å; I226-I232 HydrophobicContact CG2-CG1 4.19Å; A229-I232 WeakPolarHBondContact O-CB 3.4Å; A229-I232 PolarHBondContact O-N 2.8Å; N230-I232 PolarHBondContact O-N 2.8Å; I232-F236 HydrophobicContact CG1-CE1 4.47Å; I232-F236 HydrophobicContact CG2-CD1 3.92Å; I232-F236 HydrophobicContact CG2-CE1 4.34Å; I232-R237 HydrophobicContact CG2-CG 4.22Å; I232-R237 PolarHBondContact O-NH2 2.79Å; I232-L270 HydrophobicContact CD1-CD1 4.23Å; I232-A273 HydrophobicContact CD1-CB 3.77Å; I232-L274 HydrophobicContact CD1-CD2 3.75Å; I232-L274 HydrophobicContact CD1-CG 3.93Å; I232-A277 HydrophobicContact CG2-CB 4.06Å
233D95.9Very high98Very high42 Ų4232 Ų3223%0.22516%0.163CC..  trans-100.9179.8173.878.8-28.6000112.3R62 T235 F236 R237R62-D233 HydrophobicContact CG-CB 4.45Å; D233-T235 VanDerWaalsContact CG-OG1 3.3Å; D233-T235 PolarHBondContact OD1-OG1 2.89Å; D233-T235 PolarHBondContact OD2-N 2.85Å; D233-T235 PolarHBondContact OD2-OG1 3.34Å; D233-F236 WeakPolarHBondContact OD1-CB 3.48Å; D233-F236 PolarHBondContact OD1-N 3.27Å; D233-R237 WeakPolarHBondContact O-CG 3.37Å; D233-R237 PolarHBondContact O-N 3.45Å; D233-R237 VanDerWaalsContact O-N 3.1Å
234E97.1Very high97.9Very high98 Ų9838.6 Ų38.646%0.45819%0.188SC..Hα-helixtrans-68.5-34.2-178.6-172.553.4-151.300112.7R237 Q238E234-R237 PolarHBondContact O-N 2.89Å; E234-R237 IonicContact OE2-CZ 2.75Å; E234-R237 IonicContact OE2-NH1 2.87Å; E234-R237 PolarHBondContact OE2-NH1 2.94Å; E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.44Å; E234-Q238 PolarHBondContact O-N 2.99Å; E234-Q238 PolarHBondContact OE1-NE2 2.91Å
235T96.5Very high97.9Very high69 Ų6948.2 Ų48.242%0.42322%0.224SC..Hα-helixtrans-68.8-38.2179.268.30000111.6P202 D233 Q238 A239P202-T235 WeakPolarHBondContact CG-OG1 3.49Å; D233-T235 VanDerWaalsContact CG-OG1 3.3Å; D233-T235 PolarHBondContact OD1-OG1 2.89Å; D233-T235 PolarHBondContact OD2-N 2.85Å; D233-T235 PolarHBondContact OD2-OG1 3.34Å; T235-Q238 PolarHBondContact O-N 3.37Å; T235-A239 PolarHBondContact O-N 3.3Å; T235-A239 VanDerWaalsContact O-N 3.08Å
236F97.9Very high97.9Very high0 Ų048.8 Ų48.80%023%0.23CC..Hα-helixtrans-60.5-47.3168.9175.2-95.6000112.1P198 I199 P202 I226 I232 D233 Q238 A239 M240 A277 V279P198-F236 WeakPolarHBondContact O-CD2 3.45Å; I199-F236 HydrophobicContact CD1-CE2 4.04Å; I199-F236 HydrophobicContact CG1-CD2 4.43Å; I199-F236 HydrophobicContact CG1-CE2 3.94Å; P202-F236 HydrophobicContact CG-CB 4.36Å; I226-F236 HydrophobicContact CD1-CE1 4Å; I226-F236 HydrophobicContact CD1-CE2 4.23Å; I226-F236 HydrophobicContact CD1-CZ 3.59Å; I232-F236 HydrophobicContact CG1-CE1 4.47Å; I232-F236 HydrophobicContact CG2-CD1 3.92Å; I232-F236 HydrophobicContact CG2-CE1 4.34Å; D233-F236 WeakPolarHBondContact OD1-CB 3.48Å; D233-F236 PolarHBondContact OD1-N 3.27Å; F236-Q238 VanDerWaalsContact C-N 3.27Å; F236-Q238 PolarHBondContact O-N 2.9Å; F236-A239 WeakPolarHBondContact O-CB 3.39Å; F236-A239 PolarHBondContact O-N 2.99Å; F236-A239 VanDerWaalsContact O-N 3.16Å; F236-M240 HydrophobicContact CD1-CG 4Å; F236-M240 HydrophobicContact CD2-CE 4.27Å; F236-M240 HydrophobicContact CD2-CG 4.27Å; F236-M240 HydrophobicContact CE1-CG 3.49Å; F236-M240 VanDerWaalsContact CE1-CG 3.49Å; F236-M240 HydrophobicContact CE1-SD 4.44Å; F236-M240 HydrophobicContact CE2-CE 3.79Å; F236-M240 HydrophobicContact CE2-CG 3.78Å; F236-M240 HydrophobicContact CE2-SD 3.85Å; F236-M240 HydrophobicContact CG-CG 4.38Å; F236-M240 HydrophobicContact CZ-CE 4.27Å; F236-M240 HydrophobicContact CZ-CG 3.35Å; F236-M240 HydrophobicContact CZ-SD 3.7Å; F236-M240 WeakPolarHBondContact O-CG 3.5Å; F236-M240 PolarHBondContact O-N 2.88Å; F236-A277 HydrophobicContact CD1-CB 4.45Å; F236-A277 HydrophobicContact CE1-CB 4.11Å; F236-V279 HydrophobicContact CE1-CG2 4.25Å; F236-V279 HydrophobicContact CZ-CG2 4.29Å
237R98.3Very high97.8Very high85 Ų8551.5 Ų51.532%0.32126%0.258SS..Hα-helixtrans-57-42.2178.2-71-175.8-158.9109.29.1111.8I232 D233 E234 M240 A241 A277I232-R237 HydrophobicContact CG2-CG 4.22Å; I232-R237 PolarHBondContact O-NH2 2.79Å; D233-R237 WeakPolarHBondContact O-CG 3.37Å; D233-R237 PolarHBondContact O-N 3.45Å; D233-R237 VanDerWaalsContact O-N 3.1Å; E234-R237 PolarHBondContact O-N 2.89Å; E234-R237 IonicContact OE2-CZ 2.75Å; E234-R237 IonicContact OE2-NH1 2.87Å; E234-R237 PolarHBondContact OE2-NH1 2.94Å; R237-M240 PolarHBondContact O-N 3.02Å; R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.16Å; R237-A277 HydrophobicContact CG-CB 3.91Å
238Q97.9Very high97.8Very high108 Ų10851.9 Ų51.951%0.50526%0.26SS..Hα-helixtrans-64.8-43.3177.6-70172.211.500112.2E234 T235 F236 A241 K242E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.44Å; E234-Q238 PolarHBondContact O-N 2.99Å; E234-Q238 PolarHBondContact OE1-NE2 2.91Å; T235-Q238 PolarHBondContact O-N 3.37Å; F236-Q238 VanDerWaalsContact C-N 3.27Å; F236-Q238 PolarHBondContact O-N 2.9Å; Q238-A241 PolarHBondContact O-N 3.08Å; Q238-K242 PolarHBondContact O-N 2.93Å
239A98Very high97.8Very high6 Ų653.3 Ų53.35%0.0527%0.271CS..Hα-helixtrans-60.6-45175.500000111.8P202 I205 T235 F236 A241 K242 L243P202-A239 HydrophobicContact CB-CB 4.33Å; I205-A239 HydrophobicContact CB-CB 3.92Å; I205-A239 HydrophobicContact CG1-CB 3.85Å; I205-A239 HydrophobicContact CG2-CB 4.41Å; T235-A239 PolarHBondContact O-N 3.3Å; T235-A239 VanDerWaalsContact O-N 3.08Å; F236-A239 WeakPolarHBondContact O-CB 3.39Å; F236-A239 PolarHBondContact O-N 2.99Å; F236-A239 VanDerWaalsContact O-N 3.16Å; A239-A241 PolarHBondContact O-N 2.74Å; A239-K242 WeakPolarHBondContact O-CB 3.4Å; A239-K242 PolarHBondContact O-N 3.08Å; A239-L243 PolarHBondContact O-N 3.49Å
240M98.5Very high97.9Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-64.2-39.1175.8-68.7-50.599.200112.1P198 I205 L222 F236 R237 K242 L243 R244 L250 V279P198-M240 HydrophobicContact CB-CE 3.75Å; I205-M240 HydrophobicContact CG1-CE 4.36Å; L222-M240 HydrophobicContact CD2-CE 4.18Å; L222-M240 HydrophobicContact CD2-SD 4.34Å; F236-M240 HydrophobicContact CD1-CG 4Å; F236-M240 HydrophobicContact CD2-CE 4.27Å; F236-M240 HydrophobicContact CD2-CG 4.27Å; F236-M240 HydrophobicContact CE1-CG 3.49Å; F236-M240 VanDerWaalsContact CE1-CG 3.49Å; F236-M240 HydrophobicContact CE1-SD 4.44Å; F236-M240 HydrophobicContact CE2-CE 3.79Å; F236-M240 HydrophobicContact CE2-CG 3.78Å; F236-M240 HydrophobicContact CE2-SD 3.85Å; F236-M240 HydrophobicContact CG-CG 4.38Å; F236-M240 HydrophobicContact CZ-CE 4.27Å; F236-M240 HydrophobicContact CZ-CG 3.35Å; F236-M240 HydrophobicContact CZ-SD 3.7Å; F236-M240 WeakPolarHBondContact O-CG 3.5Å; F236-M240 PolarHBondContact O-N 2.88Å; R237-M240 PolarHBondContact O-N 3.02Å; M240-K242 VanDerWaalsContact C-N 3.33Å; M240-K242 PolarHBondContact O-N 2.97Å; M240-L243 HydrophobicContact CE-CD1 3.83Å; M240-L243 PolarHBondContact O-N 3.37Å; M240-L243 HydrophobicContact SD-CD1 4.38Å; M240-R244 PolarHBondContact O-N 2.97Å; M240-L250 HydrophobicContact CB-CD1 3.52Å; M240-L250 HydrophobicContact CG-CD1 3.96Å; M240-L250 WeakPolarHBondContact O-CD1 3.47Å; M240-L250 HydrophobicContact SD-CD1 3.68Å; M240-L250 HydrophobicContact SD-CD2 3.99Å; M240-L250 HydrophobicContact SD-CG 4.43Å; M240-V279 HydrophobicContact CB-CG2 4.5Å; M240-V279 HydrophobicContact CG-CG2 4Å; M240-V279 HydrophobicContact SD-CG2 4.37Å
241A98.3Very high98Very high29 Ų2950 Ų5024%0.2425%0.25CC..Hα-helixtrans-61.8-38.3175.600000112.5R237 Q238 A239 R245R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.16Å; Q238-A241 PolarHBondContact O-N 3.08Å; A239-A241 PolarHBondContact O-N 2.74Å; A241-R245 WeakPolarHBondContact O-CG 3.3Å; A241-R245 PolarHBondContact O-N 3.36Å
242K98.1Very high98Very high70 Ų7050 Ų5030%0.30425%0.25SC..Hα-helixtrans-60.5-48.9173.9-68.9-176-180-168.70111.5D207 V210 Q238 A239 M240 R244 R245D207-K242 IonicContact OD1-NZ 3.73Å; D207-K242 PolarHBondContact OD1-NZ 3.28Å; V210-K242 HydrophobicContact CG1-CB 4.49Å; V210-K242 HydrophobicContact CG2-CB 4Å; V210-K242 HydrophobicContact CG2-CD 4.49Å; Q238-K242 PolarHBondContact O-N 2.93Å; A239-K242 WeakPolarHBondContact O-CB 3.4Å; A239-K242 PolarHBondContact O-N 3.08Å; M240-K242 VanDerWaalsContact C-N 3.33Å; M240-K242 PolarHBondContact O-N 2.97Å; K242-R244 PolarHBondContact O-N 3.21Å; K242-R245 PolarHBondContact O-N 3.28Å
243L98.7Very high98Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-63.1-41.5-180-67.3175.3000112.5I205 V210 F213 L222 A239 M240 R245 V246 G247 V248 L250I205-L243 HydrophobicContact CD1-CD1 3.9Å; I205-L243 HydrophobicContact CG1-CD1 4.19Å; I205-L243 HydrophobicContact CG2-CD1 4.28Å; I205-L243 HydrophobicContact CG2-CD2 3.91Å; I205-L243 HydrophobicContact CG2-CG 3.82Å; V210-L243 HydrophobicContact CG2-CD2 4.14Å; F213-L243 HydrophobicContact CD2-CD2 3.79Å; F213-L243 HydrophobicContact CE2-CD2 4.04Å; L222-L243 HydrophobicContact CD2-CD1 3.42Å; L222-L243 VanDerWaalsContact CD2-CD1 3.42Å; A239-L243 PolarHBondContact O-N 3.49Å; M240-L243 HydrophobicContact CE-CD1 3.83Å; M240-L243 PolarHBondContact O-N 3.37Å; M240-L243 HydrophobicContact SD-CD1 4.38Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.39Å; L243-V246 WeakPolarHBondContact O-CG2 3.42Å; L243-V246 PolarHBondContact O-N 3.17Å; L243-G247 PolarHBondContact O-N 2.85Å; L243-V248 HydrophobicContact CB-CB 4.05Å; L243-V248 HydrophobicContact CB-CG1 4.48Å; L243-V248 HydrophobicContact CB-CG2 4.25Å; L243-V248 HydrophobicContact CD2-CG2 4.33Å; L243-V248 WeakPolarHBondContact O-CB 3.47Å; L243-V248 PolarHBondContact O-N 2.87Å; L243-V248 VanDerWaalsContact O-N 3.12Å; L243-L250 HydrophobicContact CB-CD2 4.11Å; L243-L250 HydrophobicContact CD1-CD2 4.14Å
244R97.9Very high98.1Very high138 Ų13849.3 Ų49.352%0.52125%0.246SC..Hα-helixtrans-62-38.7176.6-79176.460.6-152.3-4113.2M240 K242 V246 G247 L250 G278M240-R244 PolarHBondContact O-N 2.97Å; K242-R244 PolarHBondContact O-N 3.21Å; R244-V246 PolarHBondContact O-N 2.88Å; R244-G247 PolarHBondContact O-N 3.46Å; R244-L250 HydrophobicContact CG-CD1 3.49Å; R244-L250 VanDerWaalsContact CG-CD1 3.49Å; R244-L250 HydrophobicContact CG-CG 3.86Å; R244-G278 WeakPolarHBondContact CD-O 3.23Å
245R97.8Very high98.1Very high203 Ų20345.5 Ų45.577%0.76623%0.229SC*.Hα-helixtrans-61-29.6-179.9-77173.6-171.1148.13.3112.5A241 K242 L243 G247A241-R245 WeakPolarHBondContact O-CG 3.3Å; A241-R245 PolarHBondContact O-N 3.36Å; K242-R245 PolarHBondContact O-N 3.28Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.39Å; R245-G247 VanDerWaalsContact C-N 3.34Å
246V98.1Very high98.2Very high45 Ų4542.3 Ų42.327%0.27321%0.21SC..THydrogen-bonded Turntrans-95.714.3177.3-57.20000113V210 F213 L243 R244 V248V210-V246 HydrophobicContact CG1-CB 4.47Å; V210-V246 HydrophobicContact CG1-CG1 3.61Å; V210-V246 HydrophobicContact CG1-CG2 4Å; F213-V246 HydrophobicContact CB-CG2 4.31Å; L243-V246 WeakPolarHBondContact O-CG2 3.42Å; L243-V246 PolarHBondContact O-N 3.17Å; R244-V246 PolarHBondContact O-N 2.88Å; V246-V248 HydrophobicContact CG2-CG2 4.12Å
247G97.5Very high98.3Very high57 Ų5742.3 Ų42.359%0.58821%0.21SC*.THydrogen-bonded Turntrans87.58.1171.500000116L243 R244 R245 T249L243-G247 PolarHBondContact O-N 2.85Å; R244-G247 PolarHBondContact O-N 3.46Å; R245-G247 VanDerWaalsContact C-N 3.34Å; G247-T249 PolarHBondContact O-N 2.81Å
248V98.7Very high98.2Very high8 Ų842 Ų425%0.04821%0.209CC..PPolyproline II helixtrans-69.2128.4176.1-178.80000110.2F213 I220 L222 L243 V246 L250F213-V248 HydrophobicContact CB-CG2 4.32Å; F213-V248 HydrophobicContact CD2-CG2 3.82Å; F213-V248 HydrophobicContact CG-CG2 4.49Å; I220-V248 HydrophobicContact CB-CG2 4.33Å; I220-V248 HydrophobicContact CG2-CG1 4.14Å; I220-V248 HydrophobicContact CG2-CG2 4.24Å; L222-V248 HydrophobicContact CB-CG1 3.96Å; L243-V248 HydrophobicContact CB-CB 4.05Å; L243-V248 HydrophobicContact CB-CG1 4.48Å; L243-V248 HydrophobicContact CB-CG2 4.25Å; L243-V248 HydrophobicContact CD2-CG2 4.33Å; L243-V248 WeakPolarHBondContact O-CB 3.47Å; L243-V248 PolarHBondContact O-N 2.87Å; L243-V248 VanDerWaalsContact O-N 3.12Å; V246-V248 HydrophobicContact CG2-CG2 4.12Å; V248-L250 HydrophobicContact CG1-CD2 3.9Å; V248-L250 PolarHBondContact O-N 2.82Å
249T98.7Very high98.2Very high52 Ų5240.8 Ų40.832%0.31921%0.205SC..EExtended strand (participates in β ladder)trans-78.3120.9171.9-59.30000109.6I220 L221 L222 G247 L251I220-T249 PolarHBondContact O-N 2.74Å; L221-T249 CarbonylContact C-O 3.56Å; L221-T249 WeakPolarHBondContact CA-O 3.32Å; L221-T249 HydrophobicContact CD2-CG2 4.12Å; L222-T249 PolarHBondContact N-O 2.97Å; G247-T249 PolarHBondContact O-N 2.81Å; T249-L251 HydrophobicContact CG2-CD2 4.03Å; T249-L251 HydrophobicContact CG2-CG 4.24Å
250L98.8Very high98.2Very high8 Ų840.8 Ų40.84%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-100.4119.6-178.3-59.3-174.8000111.2L222 M240 L243 R244 V248 V279 M280L222-L250 HydrophobicContact CB-CD2 3.93Å; L222-L250 HydrophobicContact CD2-CD2 4.14Å; M240-L250 HydrophobicContact CB-CD1 3.52Å; M240-L250 HydrophobicContact CG-CD1 3.96Å; M240-L250 WeakPolarHBondContact O-CD1 3.47Å; M240-L250 HydrophobicContact SD-CD1 3.68Å; M240-L250 HydrophobicContact SD-CD2 3.99Å; M240-L250 HydrophobicContact SD-CG 4.43Å; L243-L250 HydrophobicContact CB-CD2 4.11Å; L243-L250 HydrophobicContact CD1-CD2 4.14Å; R244-L250 HydrophobicContact CG-CD1 3.49Å; R244-L250 VanDerWaalsContact CG-CD1 3.49Å; R244-L250 HydrophobicContact CG-CG 3.86Å; V248-L250 HydrophobicContact CG1-CD2 3.9Å; V248-L250 PolarHBondContact O-N 2.82Å; L250-V279 HydrophobicContact CB-CB 4.41Å; L250-V279 HydrophobicContact CB-CG1 4.32Å; L250-V279 HydrophobicContact CB-CG2 4.12Å; L250-V279 HydrophobicContact CD1-CG2 4.13Å; L250-M280 PolarHBondContact O-N 3.37Å
251L98.7Very high98.1Very high21 Ų2140.8 Ų40.811%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-119.7163.8179.2-57.8-178.8000109.9L221 L222 V223 N224 T249 V279 M280 Y282L221-L251 HydrophobicContact CD2-CD1 4.06Å; L222-L251 PolarHBondContact O-N 2.77Å; V223-L251 HydrophobicContact CG1-CB 4.41Å; V223-L251 HydrophobicContact CG2-CB 4.16Å; V223-L251 HydrophobicContact CG2-CD1 4.25Å; N224-L251 WeakPolarHBondContact CB-O 3.47Å; N224-L251 PolarHBondContact N-O 3.06Å; N224-L251 PolarHBondContact ND2-O 3.06Å; T249-L251 HydrophobicContact CG2-CD2 4.03Å; T249-L251 HydrophobicContact CG2-CG 4.24Å; L251-V279 WeakPolarHBondContact O-CG1 3.28Å; L251-M280 CarbonylContact C-O 3.59Å; L251-M280 WeakPolarHBondContact CA-O 3.35Å; L251-M280 HydrophobicContact CD2-CB 3.94Å; L251-M280 HydrophobicContact CD2-CG 4.44Å; L251-Y282 HydrophobicContact CB-CD1 4.37Å; L251-Y282 HydrophobicContact CB-CG 4.44Å; L251-Y282 HydrophobicContact CD1-CD1 3.97Å; L251-Y282 HydrophobicContact CD1-CE1 4.24Å; L251-Y282 HydrophobicContact CD1-CG 4.18Å
252N98.7Very high97.9Very high1 Ų140.8 Ų40.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-133.7131.6172.7-177.9-110.4000112.3N224 I226 S254 L274 V279 M280 Y282 Y283N224-N252 CarbonylContact O-C 3.48Å; N224-N252 WeakPolarHBondContact O-CA 3.41Å; N224-N252 PolarHBondContact O-ND2 3.19Å; N224-N252 VanDerWaalsContact O-ND2 3.08Å; I226-N252 WeakPolarHBondContact CB-ND2 3.41Å; I226-N252 WeakPolarHBondContact CG1-ND2 3.44Å; I226-N252 PolarHBondContact N-ND2 2.95Å; I226-N252 PolarHBondContact O-OD1 3.46Å; N252-S254 PolarHBondContact OD1-OG 2.99Å; N252-S254 VanDerWaalsContact OD1-OG 3.12Å; N252-L274 HydrophobicContact CB-CD1 3.86Å; N252-L274 HydrophobicContact CB-CD2 3.71Å; N252-L274 HydrophobicContact CB-CG 4.44Å; N252-L274 WeakPolarHBondContact OD1-CD1 3.33Å; N252-V279 HydrophobicContact CB-CG1 3.78Å; N252-M280 PolarHBondContact N-O 2.85Å; N252-Y282 WeakPolarHBondContact O-CA 3.32Å; N252-Y282 VanDerWaalsContact O-CB 3.27Å; N252-Y282 WeakPolarHBondContact O-CB 3.43Å; N252-Y282 PolarHBondContact O-N 3.47Å; N252-Y283 PolarHBondContact O-N 3.02Å
253Q97.6Very high97.5Very high30 Ų3040.5 Ų40.514%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-107.1131.5165.269.3-175.935.400109.2H194 V223 N224 H225 I226 Y283H194-Q253 PolarHBondContact CE1-OE1 2.82Å; H194-Q253 VanDerWaalsContact CE1-OE1 3.25Å; H194-Q253 PolarHBondContact ND1-OE1 3.03Å; V223-Q253 HydrophobicContact CG1-CB 3.95Å; V223-Q253 HydrophobicContact CG1-CG 3.85Å; N224-Q253 PolarHBondContact O-N 3.22Å; H225-Q253 WeakPolarHBondContact CA-O 3.39Å; H225-Q253 HydrophobicContact CB-CG 4.32Å; H225-Q253 PolarHBondContact CD2-O 3.02Å; I226-Q253 PolarHBondContact N-O 3.47Å; Q253-Y283 CarbonylContact C-O 3.57Å; Q253-Y283 WeakPolarHBondContact CA-O 3.33Å
254S98Very high96.7Very high8 Ų841 Ų416%0.05621%0.207CC..EExtended strand (participates in β ladder)trans-114158.1171.3-51.60000109.5I226 N227 N252 L270 Y283 L284 H285I226-S254 WeakPolarHBondContact O-CB 3.43Å; I226-S254 PolarHBondContact O-OG 3.33Å; N227-S254 WeakPolarHBondContact OD1-CA 3.26Å; N252-S254 PolarHBondContact OD1-OG 2.99Å; N252-S254 VanDerWaalsContact OD1-OG 3.12Å; S254-L270 WeakPolarHBondContact OG-CD2 3.37Å; S254-Y283 PolarHBondContact N-O 3.09Å; S254-L284 WeakPolarHBondContact O-CA 3.22Å; S254-H285 PolarHBondContact O-N 2.88Å
255V98.3Very high95.9Very high17 Ų1737.1 Ų37.110%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-109.8135.6165.2-175.30000107.5Y126 N227 L257 N261 H285 L287Y126-V255 HydrophobicContact CD2-CB 4.33Å; Y126-V255 HydrophobicContact CD2-CG1 4.49Å; Y126-V255 HydrophobicContact CD2-CG2 4.17Å; Y126-V255 HydrophobicContact CE2-CB 4.22Å; Y126-V255 HydrophobicContact CE2-CG2 3.86Å; N227-V255 PolarHBondContact OD1-N 2.9Å; N227-V255 PolarHBondContact OD1-O 3.32Å; V255-L257 HydrophobicContact CB-CD1 4.46Å; V255-L257 HydrophobicContact CB-CD2 4.15Å; V255-L257 HydrophobicContact CB-CG 4.06Å; V255-L257 HydrophobicContact CG1-CD2 3.66Å; V255-L257 HydrophobicContact CG1-CG 4.01Å; V255-L257 WeakPolarHBondContact O-CG 3.19Å; V255-L257 PolarHBondContact O-N 3.38Å; V255-N261 PolarHBondContact O-ND2 3.44Å; V255-N261 PolarHBondContact O-OD1 3.01Å; V255-H285 CarbonylContact C-O 3.38Å; V255-H285 WeakPolarHBondContact CA-O 3.49Å; V255-H285 HydrophobicContact CG2-CB 4.42Å; V255-L287 HydrophobicContact CG1-CB 4.36Å; V255-L287 HydrophobicContact CG1-CD1 4.19Å
256L98.3Very high95.4Very high3 Ų328.4 Ų28.42%0.01616%0.164CC..  trans-74112170.9-169.264.1000108.3N261 D262 L267 L284 H285 V298 A303 I306L256-N261 WeakPolarHBondContact CA-OD1 3.42Å; L256-N261 WeakPolarHBondContact CD1-O 3.18Å; L256-D262 HydrophobicContact CD1-CB 4.48Å; L256-L267 HydrophobicContact CD1-CD1 4.2Å; L256-L284 HydrophobicContact CB-CD1 4.06Å; L256-L284 HydrophobicContact CB-CG 4.27Å; L256-L284 HydrophobicContact CD1-CD1 4.47Å; L256-L284 HydrophobicContact CD1-CD2 4.27Å; L256-H285 PolarHBondContact N-O 3.04Å; L256-V298 HydrophobicContact CD2-CB 3.99Å; L256-V298 HydrophobicContact CD2-CG1 3.71Å; L256-V298 HydrophobicContact CD2-CG2 4.43Å; L256-V298 HydrophobicContact CG-CB 4.15Å; L256-V298 HydrophobicContact CG-CG1 4.26Å; L256-V298 HydrophobicContact CG-CG2 4.09Å; L256-A303 HydrophobicContact CD2-CB 3.45Å; L256-A303 VanDerWaalsContact CD2-CB 3.45Å; L256-I306 HydrophobicContact CD2-CD1 4.27Å
257L98.6Very high95Very high0 Ų027 Ų270%016%0.155CC..  trans-125.5124.7-170.5-65.7172.8000108.7Q75 Y126 N227 V255 D259 V260 N261 D262 L287 F296Q75-L257 HydrophobicContact CG-CD1 4.31Å; Y126-L257 HydrophobicContact CD1-CD1 3.51Å; Y126-L257 HydrophobicContact CD1-CD2 4.11Å; Y126-L257 HydrophobicContact CD1-CG 4.48Å; Y126-L257 HydrophobicContact CD2-CD1 4.25Å; Y126-L257 HydrophobicContact CD2-CD2 4.05Å; Y126-L257 HydrophobicContact CE1-CD1 3.62Å; Y126-L257 HydrophobicContact CE2-CD1 4.35Å; Y126-L257 HydrophobicContact CG-CD1 3.87Å; Y126-L257 HydrophobicContact CG-CD2 3.67Å; Y126-L257 HydrophobicContact CG-CG 4.42Å; N227-L257 HydrophobicContact CB-CD1 4.35Å; V255-L257 HydrophobicContact CB-CD1 4.46Å; V255-L257 HydrophobicContact CB-CD2 4.15Å; V255-L257 HydrophobicContact CB-CG 4.06Å; V255-L257 HydrophobicContact CG1-CD2 3.66Å; V255-L257 HydrophobicContact CG1-CG 4.01Å; V255-L257 WeakPolarHBondContact O-CG 3.19Å; V255-L257 PolarHBondContact O-N 3.38Å; L257-D259 PolarHBondContact O-N 2.77Å; L257-V260 HydrophobicContact CB-CB 3.83Å; L257-V260 HydrophobicContact CB-CG1 4.44Å; L257-V260 HydrophobicContact CB-CG2 4.11Å; L257-V260 HydrophobicContact CD1-CG1 4.45Å; L257-V260 PolarHBondContact O-N 3.33Å; L257-V260 VanDerWaalsContact O-N 3.1Å; L257-N261 PolarHBondContact N-OD1 3.27Å; L257-N261 PolarHBondContact O-N 2.59Å; L257-N261 VanDerWaalsContact O-N 3.13Å; L257-N261 PolarHBondContact O-OD1 3.3Å; L257-D262 PolarHBondContact O-N 3.1Å; L257-L287 HydrophobicContact CD2-CD1 3.97Å; L257-F296 HydrophobicContact CB-CD1 4.04Å; L257-F296 HydrophobicContact CD2-CB 3.7Å; L257-F296 HydrophobicContact CD2-CD1 4.05Å; L257-F296 HydrophobicContact CD2-CG 3.86Å; L257-F296 HydrophobicContact CG-CD1 4.5Å
258R97.8Very high94.3Very high78 Ų7825.4 Ų25.429%0.29414%0.136SC..THydrogen-bonded Turntrans-54135.8175.8-175.9167.4-63.7-77.7-2.4110.9V260 D262 F296 M297 V298 E302R258-V260 PolarHBondContact O-N 3.34Å; R258-V260 VanDerWaalsContact O-N 3.15Å; R258-D262 WeakPolarHBondContact CA-OD2 3.44Å; R258-F296 PolarHBondContact N-O 3.22Å; R258-M297 PolarHBondContact NE-O 2.88Å; R258-M297 PolarHBondContact NH2-O 3.49Å; R258-M297 VanDerWaalsContact NH2-O 3.13Å; R258-V298 HydrophobicContact CB-CG2 4.12Å; R258-E302 IonicContact CZ-OE1 3.44Å; R258-E302 IonicContact CZ-OE2 2.84Å; R258-E302 IonicContact NH1-OE1 3.47Å; R258-E302 PolarHBondContact NH1-OE1 3.46Å; R258-E302 IonicContact NH2-OE1 2.62Å; R258-E302 PolarHBondContact NH2-OE1 3.11Å; R258-E302 IonicContact NH2-OE2 3.39Å; R258-E302 PolarHBondContact NH2-OE2 2.85Å
259D96.5Very high93.7Very high82 Ų8228.5 Ų28.544%0.43915%0.152SC..THydrogen-bonded Turntrans57.918.8-178.4-51.3-31.2000115R74 L257 D262R74-D259 VanDerWaalsContact CD-O 3.29Å; R74-D259 WeakPolarHBondContact CD-O 3.28Å; R74-D259 IonicContact CZ-OD2 3.43Å; R74-D259 VanDerWaalsContact NH1-CG 3.33Å; R74-D259 IonicContact NH1-OD2 2.73Å; R74-D259 PolarHBondContact NH1-OD2 3.48Å; R74-D259 IonicContact NH2-OD2 3.22Å; L257-D259 PolarHBondContact O-N 2.77Å; D259-D262 PolarHBondContact N-OD1 3.1Å; D259-D262 VanDerWaalsContact N-OD1 3.09Å; D259-D262 PolarHBondContact N-OD2 3.33Å
260V98.2Very high93.5Very high6 Ų626.2 Ų26.24%0.03614%0.138CC..THydrogen-bonded Turntrans-122.3-53.7175174.90000110P71 R74 Q75 N227 H228 L257 R258 F296P71-V260 HydrophobicContact CB-CG1 4.24Å; R74-V260 HydrophobicContact CB-CG2 3.91Å; Q75-V260 HydrophobicContact CG-CG1 3.98Å; Q75-V260 HydrophobicContact CG-CG2 4.14Å; N227-V260 HydrophobicContact CB-CG1 4.29Å; H228-V260 PolarHBondContact CD2-O 2.96Å; H228-V260 VanDerWaalsContact CD2-O 3.28Å; L257-V260 HydrophobicContact CB-CB 3.83Å; L257-V260 HydrophobicContact CB-CG1 4.44Å; L257-V260 HydrophobicContact CB-CG2 4.11Å; L257-V260 HydrophobicContact CD1-CG1 4.45Å; L257-V260 PolarHBondContact O-N 3.33Å; L257-V260 VanDerWaalsContact O-N 3.1Å; R258-V260 PolarHBondContact O-N 3.34Å; R258-V260 VanDerWaalsContact O-N 3.15Å; V260-F296 HydrophobicContact CG2-CE1 4.24Å
261N97Very high93.1Very high0 Ų027.5 Ų27.50%015%0.148CC..THydrogen-bonded Turntrans-147.822.3-177.665.65.3000113.2N227 V255 L256 L257 N263 T266 L267N227-N261 VanDerWaalsContact O-CB 3.26Å; N227-N261 WeakPolarHBondContact O-CB 3.47Å; N227-N261 PolarHBondContact O-ND2 2.85Å; V255-N261 PolarHBondContact O-ND2 3.44Å; V255-N261 PolarHBondContact O-OD1 3.01Å; L256-N261 WeakPolarHBondContact CA-OD1 3.42Å; L256-N261 WeakPolarHBondContact CD1-O 3.18Å; L257-N261 PolarHBondContact N-OD1 3.27Å; L257-N261 PolarHBondContact O-N 2.59Å; L257-N261 VanDerWaalsContact O-N 3.13Å; L257-N261 PolarHBondContact O-OD1 3.3Å; N261-N263 PolarHBondContact O-N 3.04Å; N261-T266 HydrophobicContact CB-CG2 3.85Å; N261-L267 HydrophobicContact CB-CD2 4.15Å; N261-L267 WeakPolarHBondContact O-CG 3.23Å
262D94.2Very high92.5Very high29 Ų2930.4 Ų30.416%0.15516%0.163CC..  trans-77.332.5179.462.9-26.5000113.9L256 L257 R258 D259 V298 I306L256-D262 HydrophobicContact CD1-CB 4.48Å; L257-D262 PolarHBondContact O-N 3.1Å; R258-D262 WeakPolarHBondContact CA-OD2 3.44Å; D259-D262 PolarHBondContact N-OD1 3.1Å; D259-D262 VanDerWaalsContact N-OD1 3.09Å; D259-D262 PolarHBondContact N-OD2 3.33Å; D262-V298 HydrophobicContact CB-CG2 3.76Å; D262-I306 HydrophobicContact CB-CD1 4.27Å; D262-I306 WeakPolarHBondContact O-CD1 3.35Å
263N88.5Confident92.2Very high65 Ų6531.1 Ų31.135%0.34817%0.169SC..SBendtrans-144.1154.2170.47779.3000111.7N261 Q265 T266 L267N261-N263 PolarHBondContact O-N 3.04Å; N263-Q265 PolarHBondContact O-N 2.85Å; N263-Q265 PolarHBondContact OD1-N 3.23Å; N263-Q265 VanDerWaalsContact OD1-N 3.1Å; N263-T266 WeakPolarHBondContact ND2-CB 3.21Å; N263-T266 PolarHBondContact ND2-OG1 2.89Å; N263-T266 PolarHBondContact O-N 3.38Å; N263-T266 PolarHBondContact OD1-N 3.32Å; N263-T266 PolarHBondContact OD1-OG1 3.3Å; N263-L267 WeakPolarHBondContact O-CG 3.49Å; N263-L267 PolarHBondContact O-N 3.02Å
264A83Confident92.1Very high10 Ų1029.8 Ų29.88%0.08316%0.163CC..Hα-helixtrans-64.6-37.2-173.300000113.5L267 A268 R309 T310A264-L267 PolarHBondContact O-N 3.23Å; A264-A268 WeakPolarHBondContact O-CB 3.43Å; A264-A268 PolarHBondContact O-N 3.45Å; A264-R309 HydrophobicContact CB-CB 3.5Å; A264-T310 WeakPolarHBondContact CA-OG1 3.4Å
265Q80.4Confident91.8Very high56 Ų5633.5 Ų33.526%0.26218%0.178SC..Hα-helixtrans-67.9-42.8-178.9-173.260.761.900111.2N263 L267 A268 N269N263-Q265 PolarHBondContact O-N 2.85Å; N263-Q265 PolarHBondContact OD1-N 3.23Å; N263-Q265 VanDerWaalsContact OD1-N 3.1Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.17Å; Q265-A268 PolarHBondContact O-N 3.4Å; Q265-N269 PolarHBondContact NE2-OD1 3.33Å; Q265-N269 WeakPolarHBondContact O-CB 3.41Å; Q265-N269 PolarHBondContact O-N 3.37Å; Q265-N269 PolarHBondContact O-ND2 2.88Å; Q265-N269 PolarHBondContact O-OD1 2.99Å
266T87.1Confident91.4Very high21 Ų2138.8 Ų38.813%0.12921%0.206CC..Hα-helixtrans-62.1-42.4175.2-66.20000111.5H228 N261 N263 N269 L270H228-T266 WeakPolarHBondContact CD2-CG2 3.18Å; N261-T266 HydrophobicContact CB-CG2 3.85Å; N263-T266 WeakPolarHBondContact ND2-CB 3.21Å; N263-T266 PolarHBondContact ND2-OG1 2.89Å; N263-T266 PolarHBondContact O-N 3.38Å; N263-T266 PolarHBondContact OD1-N 3.32Å; N263-T266 PolarHBondContact OD1-OG1 3.3Å; T266-N269 PolarHBondContact O-N 3.18Å; T266-L270 WeakPolarHBondContact O-CB 3.43Å; T266-L270 PolarHBondContact O-N 3.5Å
267L90.4Very high91.3Very high14 Ų1438.9 Ų38.97%0.07321%0.208CC..Hα-helixtrans-65.7-38.1175.4-67.2172.5000112.5L256 N261 N263 A264 Q265 L270 S271 L284 I306 T310L256-L267 HydrophobicContact CD1-CD1 4.2Å; N261-L267 HydrophobicContact CB-CD2 4.15Å; N261-L267 WeakPolarHBondContact O-CG 3.23Å; N263-L267 WeakPolarHBondContact O-CG 3.49Å; N263-L267 PolarHBondContact O-N 3.02Å; A264-L267 PolarHBondContact O-N 3.23Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.17Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-S271 WeakPolarHBondContact O-CB 3.35Å; L267-S271 PolarHBondContact O-N 3.4Å; L267-L284 HydrophobicContact CD1-CD2 3.75Å; L267-L284 HydrophobicContact CD2-CD1 3.94Å; L267-L284 HydrophobicContact CD2-CD2 4.1Å; L267-I306 HydrophobicContact CD1-CG2 3.43Å; L267-I306 VanDerWaalsContact CD1-CG2 3.43Å; L267-T310 HydrophobicContact CB-CG2 4Å
268A83.5Confident91.1Very high24 Ų2440 Ų4020%0.19822%0.219CC..Hα-helixtrans-65.1-42.9174.400000111.5A264 Q265 S271 N272A264-A268 WeakPolarHBondContact O-CB 3.43Å; A264-A268 PolarHBondContact O-N 3.45Å; Q265-A268 PolarHBondContact O-N 3.4Å; A268-S271 WeakPolarHBondContact O-CB 3.1Å; A268-S271 PolarHBondContact O-N 3.26Å; A268-N272 PolarHBondContact O-N 2.86Å; A268-N272 PolarHBondContact O-ND2 3.36Å; A268-N272 VanDerWaalsContact O-ND2 3.15Å
269N86Confident91.1Very high73 Ų7336.4 Ų36.439%0.3921%0.205SC..Hα-helixtrans-61.4-44.9175.5-68.6-10.1000111.2A229 Q265 T266 N272 A273A229-N269 HydrophobicContact CB-CB 4.43Å; Q265-N269 PolarHBondContact NE2-OD1 3.33Å; Q265-N269 WeakPolarHBondContact O-CB 3.41Å; Q265-N269 PolarHBondContact O-N 3.37Å; Q265-N269 PolarHBondContact O-ND2 2.88Å; Q265-N269 PolarHBondContact O-OD1 2.99Å; T266-N269 PolarHBondContact O-N 3.18Å; N269-N272 PolarHBondContact O-N 3.46Å; N269-A273 WeakPolarHBondContact O-CB 3.15Å; N269-A273 PolarHBondContact O-N 3.49Å
270L94.6Very high91Very high5 Ų537.1 Ų37.13%0.02621%0.208CC..Hα-helixtrans-59.3-47.9174.2173.260.7000111.3I226 I232 S254 T266 L267 N272 A273 L274I226-L270 HydrophobicContact CB-CD1 4.44Å; I226-L270 HydrophobicContact CG2-CD1 3.66Å; I232-L270 HydrophobicContact CD1-CD1 4.23Å; S254-L270 WeakPolarHBondContact OG-CD2 3.37Å; T266-L270 WeakPolarHBondContact O-CB 3.43Å; T266-L270 PolarHBondContact O-N 3.5Å; L267-L270 PolarHBondContact O-N 3.38Å; L270-N272 VanDerWaalsContact C-N 3.34Å; L270-N272 PolarHBondContact O-N 3.34Å; L270-A273 PolarHBondContact O-N 2.97Å; L270-L274 HydrophobicContact CD1-CD1 3.91Å; L270-L274 HydrophobicContact CD1-CD2 4.46Å; L270-L274 HydrophobicContact CD1-CG 3.93Å; L270-L274 HydrophobicContact CG-CD1 3.84Å; L270-L274 HydrophobicContact CG-CG 4.33Å; L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 3.32Å
271S89.8Confident90.8Very high34 Ų3439.1 Ų39.124%0.23822%0.22CC..Hα-helixtrans-56.8-46.7178.4-1750000111.9L267 A268 L274 F275L267-S271 WeakPolarHBondContact O-CB 3.35Å; L267-S271 PolarHBondContact O-N 3.4Å; A268-S271 WeakPolarHBondContact O-CB 3.1Å; A268-S271 PolarHBondContact O-N 3.26Å; S271-L274 PolarHBondContact O-N 2.92Å; S271-F275 WeakPolarHBondContact O-CD2 3.39Å; S271-F275 PolarHBondContact O-N 3.49Å
272N86.7Confident90.8Very high82 Ų8242.8 Ų42.844%0.43924%0.235SC..Hα-helixtrans-62.4-47.4176.6-70.6-41000111.9A268 N269 L270 L274 F275 D276A268-N272 PolarHBondContact O-N 2.86Å; A268-N272 PolarHBondContact O-ND2 3.36Å; A268-N272 VanDerWaalsContact O-ND2 3.15Å; N269-N272 PolarHBondContact O-N 3.46Å; L270-N272 VanDerWaalsContact C-N 3.34Å; L270-N272 PolarHBondContact O-N 3.34Å; N272-L274 VanDerWaalsContact C-N 3.28Å; N272-L274 PolarHBondContact O-N 3.42Å; N272-F275 PolarHBondContact O-N 3.43Å; N272-F275 VanDerWaalsContact O-N 3.16Å; N272-D276 PolarHBondContact O-N 2.88Å
273A91.8Very high90.9Very high16 Ų1647 Ų4713%0.13225%0.249CC..Hα-helixtrans-62.4-34.7179.100000112.8A229 I232 N269 L270 A277A229-A273 HydrophobicContact CB-CB 4.05Å; I232-A273 HydrophobicContact CD1-CB 3.77Å; N269-A273 WeakPolarHBondContact O-CB 3.15Å; N269-A273 PolarHBondContact O-N 3.49Å; L270-A273 PolarHBondContact O-N 2.97Å; A273-A277 PolarHBondContact O-N 3.05Å; A273-A277 VanDerWaalsContact O-N 3.11Å
274L95.9Very high91.2Very high2 Ų246.3 Ų46.31%0.0125%0.245CC..Hα-helixtrans-64.5-48.1172.8-72.6167.6000111.3I226 I232 N252 L270 S271 N272 D276 A277 G278 V279 P281I226-L274 HydrophobicContact CD1-CD2 3.72Å; I232-L274 HydrophobicContact CD1-CD2 3.75Å; I232-L274 HydrophobicContact CD1-CG 3.93Å; N252-L274 HydrophobicContact CB-CD1 3.86Å; N252-L274 HydrophobicContact CB-CD2 3.71Å; N252-L274 HydrophobicContact CB-CG 4.44Å; N252-L274 WeakPolarHBondContact OD1-CD1 3.33Å; L270-L274 HydrophobicContact CD1-CD1 3.91Å; L270-L274 HydrophobicContact CD1-CD2 4.46Å; L270-L274 HydrophobicContact CD1-CG 3.93Å; L270-L274 HydrophobicContact CG-CD1 3.84Å; L270-L274 HydrophobicContact CG-CG 4.33Å; L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 3.32Å; S271-L274 PolarHBondContact O-N 2.92Å; N272-L274 VanDerWaalsContact C-N 3.28Å; N272-L274 PolarHBondContact O-N 3.42Å; L274-D276 VanDerWaalsContact C-N 3.32Å; L274-D276 PolarHBondContact O-N 3.25Å; L274-A277 CarbonylContact O-C 3.52Å; L274-A277 WeakPolarHBondContact O-CA 3.3Å; L274-A277 PolarHBondContact O-N 3.41Å; L274-A277 VanDerWaalsContact O-N 3.09Å; L274-G278 PolarHBondContact O-N 3.17Å; L274-G278 VanDerWaalsContact O-N 3.11Å; L274-V279 CarbonylContact C-O 3.6Å; L274-V279 HydrophobicContact CB-CB 4.35Å; L274-V279 WeakPolarHBondContact CB-O 3.46Å; L274-V279 HydrophobicContact CD2-CB 3.99Å; L274-V279 HydrophobicContact CD2-CG1 3.9Å; L274-V279 PolarHBondContact O-N 3.31Å; L274-V279 VanDerWaalsContact O-O 3.07Å; L274-P281 HydrophobicContact CB-CG 4.29Å; L274-P281 HydrophobicContact CD1-CB 4.23Å; L274-P281 HydrophobicContact CD1-CG 3.9Å
275F90.3Very high91.9Very high86 Ų8649.4 Ų49.438%0.37726%0.258SS..Hα-helixtrans-60-41.9176.6-85.3-66.5000112.2S271 N272 A277 G278 M280 P281S271-F275 WeakPolarHBondContact O-CD2 3.39Å; S271-F275 PolarHBondContact O-N 3.49Å; N272-F275 PolarHBondContact O-N 3.43Å; N272-F275 VanDerWaalsContact O-N 3.16Å; F275-A277 PolarHBondContact O-N 2.95Å; F275-G278 WeakPolarHBondContact O-CA 3.43Å; F275-G278 PolarHBondContact O-N 3.48Å; F275-M280 HydrophobicContact CE1-CE 3.89Å; F275-M280 HydrophobicContact CE1-SD 3.64Å; F275-M280 HydrophobicContact CZ-CE 4.36Å; F275-M280 HydrophobicContact CZ-SD 3.58Å; F275-M280 VanDerWaalsContact CZ-SD 3.58Å; F275-P281 HydrophobicContact CE2-CG 4.09Å
276D91.2Very high92.7Very high129 Ų12950.1 Ų50.169%0.6927%0.266SS*.Hα-helixtrans-62.5-32.1176.4-69-20.5000111.9N272 L274 G278N272-D276 PolarHBondContact O-N 2.88Å; L274-D276 VanDerWaalsContact C-N 3.32Å; L274-D276 PolarHBondContact O-N 3.25Å; D276-G278 VanDerWaalsContact C-N 3.29Å
277A95.2Very high93.2Very high5 Ų549.6 Ų49.64%0.04126%0.263CS..THydrogen-bonded Turntrans-80.9-3.6172.500000113.9I232 F236 R237 A273 L274 F275 V279I232-A277 HydrophobicContact CG2-CB 4.06Å; F236-A277 HydrophobicContact CD1-CB 4.45Å; F236-A277 HydrophobicContact CE1-CB 4.11Å; R237-A277 HydrophobicContact CG-CB 3.91Å; A273-A277 PolarHBondContact O-N 3.05Å; A273-A277 VanDerWaalsContact O-N 3.11Å; L274-A277 CarbonylContact O-C 3.52Å; L274-A277 WeakPolarHBondContact O-CA 3.3Å; L274-A277 PolarHBondContact O-N 3.41Å; L274-A277 VanDerWaalsContact O-N 3.09Å; F275-A277 PolarHBondContact O-N 2.95Å; A277-V279 HydrophobicContact CB-CG2 4.16Å
278G94.5Very high93.5Very high23 Ų2351.2 Ų51.224%0.23727%0.271CS..THydrogen-bonded Turntrans73.724.2-174.700000114.5R244 L274 F275 D276R244-G278 WeakPolarHBondContact CD-O 3.23Å; L274-G278 PolarHBondContact O-N 3.17Å; L274-G278 VanDerWaalsContact O-N 3.11Å; F275-G278 WeakPolarHBondContact O-CA 3.43Å; F275-G278 PolarHBondContact O-N 3.48Å; D276-G278 VanDerWaalsContact C-N 3.29Å
279V98.3Very high94.1Very high2 Ų255.4 Ų55.41%0.01229%0.285CS..  trans-107.2132.2178.5-174.20000109.1F236 M240 L250 L251 N252 L274 A277F236-V279 HydrophobicContact CE1-CG2 4.25Å; F236-V279 HydrophobicContact CZ-CG2 4.29Å; M240-V279 HydrophobicContact CB-CG2 4.5Å; M240-V279 HydrophobicContact CG-CG2 4Å; M240-V279 HydrophobicContact SD-CG2 4.37Å; L250-V279 HydrophobicContact CB-CB 4.41Å; L250-V279 HydrophobicContact CB-CG1 4.32Å; L250-V279 HydrophobicContact CB-CG2 4.12Å; L250-V279 HydrophobicContact CD1-CG2 4.13Å; L251-V279 WeakPolarHBondContact O-CG1 3.28Å; N252-V279 HydrophobicContact CB-CG1 3.78Å; L274-V279 CarbonylContact C-O 3.6Å; L274-V279 HydrophobicContact CB-CB 4.35Å; L274-V279 WeakPolarHBondContact CB-O 3.46Å; L274-V279 HydrophobicContact CD2-CB 3.99Å; L274-V279 HydrophobicContact CD2-CG1 3.9Å; L274-V279 PolarHBondContact O-N 3.31Å; L274-V279 VanDerWaalsContact O-O 3.07Å; A277-V279 HydrophobicContact CB-CG2 4.16Å
280M95.5Very high94.6Very high98 Ų9851.9 Ų51.948%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-87.7125.5178-175.46771.400110.7L250 L251 N252 F275 Y282L250-M280 PolarHBondContact O-N 3.37Å; L251-M280 CarbonylContact C-O 3.59Å; L251-M280 WeakPolarHBondContact CA-O 3.35Å; L251-M280 HydrophobicContact CD2-CB 3.94Å; L251-M280 HydrophobicContact CD2-CG 4.44Å; N252-M280 PolarHBondContact N-O 2.85Å; F275-M280 HydrophobicContact CE1-CE 3.89Å; F275-M280 HydrophobicContact CE1-SD 3.64Å; F275-M280 HydrophobicContact CZ-CE 4.36Å; F275-M280 HydrophobicContact CZ-SD 3.58Å; F275-M280 VanDerWaalsContact CZ-SD 3.58Å; M280-Y282 PolarHBondContact O-N 2.96Å
281P94Very high94.8Very high47 Ų4755 Ų5531%0.30528%0.28SS..EExtended strand (participates in β ladder)trans-58.7122.8167.2-19.230.8000110.1L274 F275L274-P281 HydrophobicContact CB-CG 4.29Å; L274-P281 HydrophobicContact CD1-CB 4.23Å; L274-P281 HydrophobicContact CD1-CG 3.9Å; F275-P281 HydrophobicContact CE2-CG 4.09Å
282Y95.7Very high95.1Very high77 Ų7753.5 Ų53.530%0.30227%0.271SS..EExtended strand (participates in β ladder)trans-112.3-58-173.6176.7-142000112.6R192 V223 L251 N252 M280R192-Y282 PolarHBondContact NH1-OH 3.09Å; V223-Y282 HydrophobicContact CG1-CD1 4.44Å; L251-Y282 HydrophobicContact CB-CD1 4.37Å; L251-Y282 HydrophobicContact CB-CG 4.44Å; L251-Y282 HydrophobicContact CD1-CD1 3.97Å; L251-Y282 HydrophobicContact CD1-CE1 4.24Å; L251-Y282 HydrophobicContact CD1-CG 4.18Å; N252-Y282 WeakPolarHBondContact O-CA 3.32Å; N252-Y282 VanDerWaalsContact O-CB 3.27Å; N252-Y282 WeakPolarHBondContact O-CB 3.43Å; N252-Y282 PolarHBondContact O-N 3.47Å; M280-Y282 PolarHBondContact O-N 2.96Å
283Y96Very high95.6Very high117 Ų11749.6 Ų49.646%0.45925%0.25SS..EExtended strand (participates in β ladder)trans-130.6141.7177-73.8-49.2000111.7N252 Q253 S254 H285N252-Y283 PolarHBondContact O-N 3.02Å; Q253-Y283 CarbonylContact C-O 3.57Å; Q253-Y283 WeakPolarHBondContact CA-O 3.33Å; S254-Y283 PolarHBondContact N-O 3.09Å; Y283-H285 WeakPolarHBondContact CB-NE2 3.49Å; Y283-H285 AromaticContact CD2-NE2 3.76Å; Y283-H285 AromaticContact CG-NE2 3.85Å
284L95.5Very high95.9Very high51 Ų5150 Ų5027%0.26725%0.253SS..EExtended strand (participates in β ladder)trans-110.5103.2158.2-179.966.4000107S254 L256 L267 M307S254-L284 WeakPolarHBondContact O-CA 3.22Å; L256-L284 HydrophobicContact CB-CD1 4.06Å; L256-L284 HydrophobicContact CB-CG 4.27Å; L256-L284 HydrophobicContact CD1-CD1 4.47Å; L256-L284 HydrophobicContact CD1-CD2 4.27Å; L267-L284 HydrophobicContact CD1-CD2 3.75Å; L267-L284 HydrophobicContact CD2-CD1 3.94Å; L267-L284 HydrophobicContact CD2-CD2 4.1Å; L284-M307 HydrophobicContact CD2-CE 4.49Å; L284-M307 HydrophobicContact CD2-CG 4.18Å; L284-M307 HydrophobicContact CD2-SD 3.49Å; L284-M307 WeakPolarHBondContact CD2-SD 3.39Å
285H97.3Very high95.9Very high76 Ų7652.3 Ų52.335%0.35226%0.264SS..EExtended strand (participates in β ladder)trans-79.9142.8176.7-69.5-76.7000110.2S254 V255 L256 Y283S254-H285 PolarHBondContact O-N 2.88Å; V255-H285 CarbonylContact C-O 3.38Å; V255-H285 WeakPolarHBondContact CA-O 3.49Å; V255-H285 HydrophobicContact CG2-CB 4.42Å; L256-H285 PolarHBondContact N-O 3.04Å; Y283-H285 WeakPolarHBondContact CB-NE2 3.49Å; Y283-H285 AromaticContact CD2-NE2 3.76Å; Y283-H285 AromaticContact CG-NE2 3.85Å
286V96.6Very high96.3Very high71 Ų7148.5 Ų48.543%0.4325%0.247SC..PPolyproline II helixtrans-72.7156.6157.2-66.60000109.1D288 A303V286-D288 PolarHBondContact O-N 3.33Å; V286-A303 HydrophobicContact CG1-CB 4.17Å
287L97.4Very high96.6Very high10 Ų1044.3 Ų44.35%0.05222%0.224CC..PPolyproline II helixtrans-62.6124.1-179.7-177.371.7000111.3V255 L257 K289 A293 F296 M297V255-L287 HydrophobicContact CG1-CB 4.36Å; V255-L287 HydrophobicContact CG1-CD1 4.19Å; L257-L287 HydrophobicContact CD2-CD1 3.97Å; L287-K289 PolarHBondContact O-N 3.49Å; L287-A293 HydrophobicContact CD1-CB 4.48Å; L287-A293 HydrophobicContact CD2-CB 4.34Å; L287-A293 WeakPolarHBondContact CD2-O 3.38Å; L287-F296 HydrophobicContact CD1-CB 4.41Å; L287-F296 HydrophobicContact CD2-CB 3.75Å; L287-M297 HydrophobicContact CB-CE 4.33Å; L287-M297 HydrophobicContact CB-SD 4.37Å; L287-M297 HydrophobicContact CD2-CB 4.34Å; L287-M297 HydrophobicContact CD2-CE 4.12Å; L287-M297 HydrophobicContact CG-CE 4.49Å
288D97Very high96.7Very high48 Ų4844.2 Ų44.226%0.25722%0.223SC..PPolyproline II helixtrans-62.9134.1165.9-65.7-49.3000109.5P93 L94 F128 V286 V290P93-D288 HydrophobicContact CB-CB 4.22Å; P93-D288 HydrophobicContact CG-CB 3.99Å; L94-D288 WeakPolarHBondContact CD2-OD1 3.29Å; F128-D288 HydrophobicContact CB-CB 3.69Å; F128-D288 HydrophobicContact CG-CB 4.5Å; V286-D288 PolarHBondContact O-N 3.33Å; D288-V290 PolarHBondContact O-N 2.87Å
289K96.8Very high96.7Very high111 Ų11145.9 Ų45.948%0.48323%0.231SC..  trans-73.662.5-174-64.9180-178.9176.90112.2G88 F89 S90 L287 M297G88-K289 WeakPolarHBondContact O-CB 3.23Å; G88-K289 WeakPolarHBondContact O-CD 3.41Å; F89-K289 CarbonylContact C-O 3.57Å; F89-K289 WeakPolarHBondContact CA-O 3.41Å; F89-K289 HydrophobicContact CB-CB 4.48Å; F89-K289 WeakPolarHBondContact CB-O 3.13Å; F89-K289 VanDerWaalsContact CD1-CA 3.44Å; F89-K289 HydrophobicContact CD1-CB 3.79Å; F89-K289 HydrophobicContact CD1-CG 4.46Å; F89-K289 HydrophobicContact CD2-CB 4.37Å; F89-K289 HydrophobicContact CE1-CB 4.07Å; F89-K289 HydrophobicContact CE1-CG 4.29Å; F89-K289 HydrophobicContact CE2-CG 4.5Å; F89-K289 HydrophobicContact CG-CB 3.96Å; F89-K289 HydrophobicContact CZ-CB 4.49Å; F89-K289 HydrophobicContact CZ-CG 4.32Å; S90-K289 PolarHBondContact N-O 3.31Å; L287-K289 PolarHBondContact O-N 3.49Å; K289-M297 HydrophobicContact CD-CE 4.4Å; K289-M297 HydrophobicContact CG-CE 3.57Å
290V97.3Very high96.4Very high0 Ų050 Ų500%025%0.253CS..BIsolated β-bridgetrans-85.3133.117869.20000111.7F89 S90 P93 R130 D288 G292 A293F89-V290 WeakPolarHBondContact CD1-O 3.3Å; S90-V290 CarbonylContact O-C 3.48Å; S90-V290 WeakPolarHBondContact O-CA 3.27Å; P93-V290 HydrophobicContact CG-CB 4.04Å; R130-V290 HydrophobicContact CG-CG2 3.88Å; D288-V290 PolarHBondContact O-N 2.87Å; V290-G292 PolarHBondContact O-N 2.95Å; V290-A293 HydrophobicContact CG1-CB 3.53Å; V290-A293 PolarHBondContact O-N 3.15Å; V290-A293 VanDerWaalsContact O-N 3.14Å
291Q97.4Very high96.3Very high69 Ų6950.2 Ų50.232%0.32226%0.256SS..THydrogen-bonded Turntrans-55.7129.2177.6-177.4178.4-50.200111.1S90 H131S90-Q291 PolarHBondContact O-N 2.89Å; H131-Q291 PolarHBondContact NE2-O 2.93Å
292G96.6Very high96.2Very high4 Ų450.6 Ų50.64%0.04125%0.254CS..THydrogen-bonded Turntrans92.92.8-178.100000115.2E82 R130 V290 H295E82-G292 WeakPolarHBondContact CG-O 3.46Å; E82-G292 WeakPolarHBondContact O-CA 3.48Å; R130-G292 PolarHBondContact NH1-O 3.24Å; V290-G292 PolarHBondContact O-N 2.95Å; G292-H295 PolarHBondContact O-CE1 3.06Å
293A97.7Very high96.1Very high0 Ų047.3 Ų47.30%024%0.243CC..  trans-116.56.2177.300000114.2L287 V290 H295 F296L287-A293 HydrophobicContact CD1-CB 4.48Å; L287-A293 HydrophobicContact CD2-CB 4.34Å; L287-A293 WeakPolarHBondContact CD2-O 3.38Å; V290-A293 HydrophobicContact CG1-CB 3.53Å; V290-A293 PolarHBondContact O-N 3.15Å; V290-A293 VanDerWaalsContact O-N 3.14Å; A293-H295 PolarHBondContact O-N 2.98Å; A293-H295 VanDerWaalsContact O-N 3.07Å; A293-F296 HydrophobicContact CB-CD2 4.45Å; A293-F296 PolarHBondContact O-N 3.22Å
294A97.3Very high95.7Very high24 Ų2448 Ų4820%0.19824%0.244CC..G310 helixtrans-58.7-28-169.600000115A86 F89 F296 M297A86-A294 HydrophobicContact CB-CB 3.64Å; F89-A294 HydrophobicContact CD1-CB 4.18Å; F89-A294 HydrophobicContact CD2-CB 4.39Å; F89-A294 VanDerWaalsContact CE1-CA 3.49Å; F89-A294 HydrophobicContact CE1-CB 3.71Å; F89-A294 HydrophobicContact CE2-CB 3.94Å; F89-A294 HydrophobicContact CZ-CB 3.56Å; A294-F296 PolarHBondContact O-N 3.5Å; A294-M297 WeakPolarHBondContact O-CB 3.32Å; A294-M297 PolarHBondContact O-N 3.22Å; A294-M297 VanDerWaalsContact O-N 3.07Å
295H96.8Very high95.2Very high50 Ų5050.4 Ų50.423%0.23125%0.254CS..G310 helixtrans-65.4-18.9176.655.4-80.9000113.7D81 G292 A293 M297D81-H295 HydrophobicContact CB-CB 3.82Å; G292-H295 PolarHBondContact O-CE1 3.06Å; A293-H295 PolarHBondContact O-N 2.98Å; A293-H295 VanDerWaalsContact O-N 3.07Å; H295-M297 VanDerWaalsContact C-N 3.32Å
296F98.2Very high94.6Very high6 Ų647.2 Ų47.23%0.02624%0.24CC..G310 helixtrans-83.4-4.6172.8-70.7-64.9000114.1R74 R125 L257 R258 V260 L287 A293 A294 V298R74-F296 VanDerWaalsContact O-CZ 3.26Å; R74-F296 WeakPolarHBondContact O-CZ 3.3Å; R125-F296 HydrophobicContact CB-CE2 3.74Å; R125-F296 HydrophobicContact CB-CZ 4.14Å; L257-F296 HydrophobicContact CB-CD1 4.04Å; L257-F296 HydrophobicContact CD2-CB 3.7Å; L257-F296 HydrophobicContact CD2-CD1 4.05Å; L257-F296 HydrophobicContact CD2-CG 3.86Å; L257-F296 HydrophobicContact CG-CD1 4.5Å; R258-F296 PolarHBondContact N-O 3.22Å; V260-F296 HydrophobicContact CG2-CE1 4.24Å; L287-F296 HydrophobicContact CD1-CB 4.41Å; L287-F296 HydrophobicContact CD2-CB 3.75Å; A293-F296 HydrophobicContact CB-CD2 4.45Å; A293-F296 PolarHBondContact O-N 3.22Å; A294-F296 PolarHBondContact O-N 3.5Å; F296-V298 PolarHBondContact O-N 3.08Å
297M97.3Very high94Very high42 Ų4246.7 Ų46.721%0.20723%0.233CC..  trans-66.4127.7-170.2-175.360.173.100112.1F89 R258 L287 K289 A294 H295F89-M297 HydrophobicContact CE1-CE 3.76Å; F89-M297 HydrophobicContact CE2-CE 4.25Å; F89-M297 HydrophobicContact CZ-CB 4.37Å; F89-M297 HydrophobicContact CZ-CE 3.34Å; R258-M297 PolarHBondContact NE-O 2.88Å; R258-M297 PolarHBondContact NH2-O 3.49Å; R258-M297 VanDerWaalsContact NH2-O 3.13Å; L287-M297 HydrophobicContact CB-CE 4.33Å; L287-M297 HydrophobicContact CB-SD 4.37Å; L287-M297 HydrophobicContact CD2-CB 4.34Å; L287-M297 HydrophobicContact CD2-CE 4.12Å; L287-M297 HydrophobicContact CG-CE 4.49Å; K289-M297 HydrophobicContact CD-CE 4.4Å; K289-M297 HydrophobicContact CG-CE 3.57Å; A294-M297 WeakPolarHBondContact O-CB 3.32Å; A294-M297 PolarHBondContact O-N 3.22Å; A294-M297 VanDerWaalsContact O-N 3.07Å; H295-M297 VanDerWaalsContact C-N 3.32Å
298V96.5Very high93Very high3 Ų354.2 Ų54.22%0.01826%0.261CS..  trans-110.4128.8167.3-179.30000107.2L256 R258 D262 F296 E302 A303 I306L256-V298 HydrophobicContact CD2-CB 3.99Å; L256-V298 HydrophobicContact CD2-CG1 3.71Å; L256-V298 HydrophobicContact CD2-CG2 4.43Å; L256-V298 HydrophobicContact CG-CB 4.15Å; L256-V298 HydrophobicContact CG-CG1 4.26Å; L256-V298 HydrophobicContact CG-CG2 4.09Å; R258-V298 HydrophobicContact CB-CG2 4.12Å; D262-V298 HydrophobicContact CB-CG2 3.76Å; F296-V298 PolarHBondContact O-N 3.08Å; V298-E302 HydrophobicContact CG1-CB 3.88Å; V298-E302 HydrophobicContact CG1-CG 3.74Å; V298-A303 HydrophobicContact CG1-CB 4.33Å; V298-I306 HydrophobicContact CG1-CD1 4.04Å
299S94.9Very high91.8Very high58 Ų5856.8 Ų56.841%0.40627%0.267SS..  trans-66.4152.3-177.769.60000111.3D301 E302 A303S299-D301 PolarHBondContact O-N 3.11Å; S299-E302 PolarHBondContact O-N 3.24Å; S299-E302 VanDerWaalsContact O-N 3.16Å; S299-E302 WeakPolarHBondContact OG-CB 3.39Å; S299-E302 PolarHBondContact OG-N 2.91Å; S299-A303 WeakPolarHBondContact O-CB 3.43Å; S299-A303 PolarHBondContact O-N 3.47Å
300D93.3Very high90.6Very high89 Ų8953 Ų5348%0.47625%0.253SS..Hα-helixtrans-56-36.2178.1-75.110000112.8R304D300-R304 WeakPolarHBondContact O-CB 3.17Å; D300-R304 VanDerWaalsContact O-CG 3.23Å; D300-R304 WeakPolarHBondContact O-CG 3.42Å; D300-R304 PolarHBondContact O-N 3.33Å; D300-R304 IonicContact OD2-NH2 2.7Å
301D92.6Very high89.1Confident102 Ų10261.5 Ų61.555%0.54529%0.287SS..Hα-helixtrans-70.5-43.1179.1-71.6-28.6000111.8S299 R304 Q305S299-D301 PolarHBondContact O-N 3.11Å; D301-R304 PolarHBondContact O-N 3.47Å; D301-R304 IonicContact OD1-NH1 3.1Å; D301-R304 PolarHBondContact OD1-NH1 3.19Å; D301-Q305 VanDerWaalsContact O-CG 3.28Å; D301-Q305 WeakPolarHBondContact O-CG 3.41Å; D301-Q305 PolarHBondContact O-N 2.93Å
302E91.9Very high87.7Confident55 Ų5562 Ų6226%0.25729%0.29SS..Hα-helixtrans-62.3-44.8172.6-172.2178-175.600110.7R258 V298 S299 R304 Q305 I306R258-E302 IonicContact CZ-OE1 3.44Å; R258-E302 IonicContact CZ-OE2 2.84Å; R258-E302 IonicContact NH1-OE1 3.47Å; R258-E302 PolarHBondContact NH1-OE1 3.46Å; R258-E302 IonicContact NH2-OE1 2.62Å; R258-E302 PolarHBondContact NH2-OE1 3.11Å; R258-E302 IonicContact NH2-OE2 3.39Å; R258-E302 PolarHBondContact NH2-OE2 2.85Å; V298-E302 HydrophobicContact CG1-CB 3.88Å; V298-E302 HydrophobicContact CG1-CG 3.74Å; S299-E302 PolarHBondContact O-N 3.24Å; S299-E302 VanDerWaalsContact O-N 3.16Å; S299-E302 WeakPolarHBondContact OG-CB 3.39Å; S299-E302 PolarHBondContact OG-N 2.91Å; E302-R304 PolarHBondContact O-N 3.49Å; E302-Q305 WeakPolarHBondContact O-CB 3.49Å; E302-Q305 PolarHBondContact O-N 2.86Å; E302-Q305 VanDerWaalsContact O-N 3.12Å; E302-I306 HydrophobicContact CG-CD1 3.99Å; E302-I306 VanDerWaalsContact O-CG1 3.3Å; E302-I306 WeakPolarHBondContact O-CG1 3.32Å; E302-I306 PolarHBondContact O-N 3.47Å
303A93.5Very high86.7Confident8 Ų863.2 Ų63.27%0.06630%0.3CS..Hα-helixtrans-59.9-43.5176.300000112.4L256 V286 V298 S299 Q305 I306 M307L256-A303 HydrophobicContact CD2-CB 3.45Å; L256-A303 VanDerWaalsContact CD2-CB 3.45Å; V286-A303 HydrophobicContact CG1-CB 4.17Å; V298-A303 HydrophobicContact CG1-CB 4.33Å; S299-A303 WeakPolarHBondContact O-CB 3.43Å; S299-A303 PolarHBondContact O-N 3.47Å; A303-Q305 VanDerWaalsContact C-N 3.34Å; A303-I306 PolarHBondContact O-N 3.34Å; A303-M307 WeakPolarHBondContact O-CB 3.44Å; A303-M307 WeakPolarHBondContact O-CG 3.23Å; A303-M307 PolarHBondContact O-N 2.86Å
304R88Confident86.1Confident131 Ų13163.5 Ų63.549%0.49430%0.301SS..Hα-helixtrans-63.6-39.4174.3-74.6174.4-163.1117.29.2111.8D300 D301 E302 R308D300-R304 WeakPolarHBondContact O-CB 3.17Å; D300-R304 VanDerWaalsContact O-CG 3.23Å; D300-R304 WeakPolarHBondContact O-CG 3.42Å; D300-R304 PolarHBondContact O-N 3.33Å; D300-R304 IonicContact OD2-NH2 2.7Å; D301-R304 PolarHBondContact O-N 3.47Å; D301-R304 IonicContact OD1-NH1 3.1Å; D301-R304 PolarHBondContact OD1-NH1 3.19Å; E302-R304 PolarHBondContact O-N 3.49Å; R304-R308 WeakPolarHBondContact O-CG 3.49Å; R304-R308 PolarHBondContact O-N 3.42Å
305Q84Confident85.7Confident101 Ų10164.6 Ų64.647%0.47231%0.307SS..Hα-helixtrans-65.1-46.9176.2-72.8177.223.400111.3D301 E302 A303 M307 R308 R309D301-Q305 VanDerWaalsContact O-CG 3.28Å; D301-Q305 WeakPolarHBondContact O-CG 3.41Å; D301-Q305 PolarHBondContact O-N 2.93Å; E302-Q305 WeakPolarHBondContact O-CB 3.49Å; E302-Q305 PolarHBondContact O-N 2.86Å; E302-Q305 VanDerWaalsContact O-N 3.12Å; A303-Q305 VanDerWaalsContact C-N 3.34Å; Q305-M307 PolarHBondContact O-N 2.84Å; Q305-R308 PolarHBondContact O-N 3.49Å; Q305-R309 VanDerWaalsContact O-CG 3.29Å; Q305-R309 WeakPolarHBondContact O-CG 3.48Å; Q305-R309 PolarHBondContact O-N 3.31Å
306I85.3Confident85.5Confident10 Ų1062.7 Ų62.75%0.05130%0.299CS..Hα-helixtrans-57.5-50.4175.5-68.8160000110L256 D262 L267 V298 E302 A303 R308 R309 T310L256-I306 HydrophobicContact CD2-CD1 4.27Å; D262-I306 HydrophobicContact CB-CD1 4.27Å; D262-I306 WeakPolarHBondContact O-CD1 3.35Å; L267-I306 HydrophobicContact CD1-CG2 3.43Å; L267-I306 VanDerWaalsContact CD1-CG2 3.43Å; V298-I306 HydrophobicContact CG1-CD1 4.04Å; E302-I306 HydrophobicContact CG-CD1 3.99Å; E302-I306 VanDerWaalsContact O-CG1 3.3Å; E302-I306 WeakPolarHBondContact O-CG1 3.32Å; E302-I306 PolarHBondContact O-N 3.47Å; A303-I306 PolarHBondContact O-N 3.34Å; I306-R308 PolarHBondContact O-N 2.87Å; I306-R309 WeakPolarHBondContact O-CB 3.38Å; I306-R309 PolarHBondContact O-N 3.28Å; I306-R309 VanDerWaalsContact O-N 3.09Å; I306-T310 PolarHBondContact O-N 2.94Å; I306-T310 PolarHBondContact O-OG1 3.21Å
307M84.1Confident85.2Confident60 Ų6066 Ų6630%0.29631%0.313SS..Hα-helixtrans-61-41.6-180-79.8-64.8-87.300112.9L284 A303 Q305 R309 T310 Y311L284-M307 HydrophobicContact CD2-CE 4.49Å; L284-M307 HydrophobicContact CD2-CG 4.18Å; L284-M307 HydrophobicContact CD2-SD 3.49Å; L284-M307 WeakPolarHBondContact CD2-SD 3.39Å; A303-M307 WeakPolarHBondContact O-CB 3.44Å; A303-M307 WeakPolarHBondContact O-CG 3.23Å; A303-M307 PolarHBondContact O-N 2.86Å; Q305-M307 PolarHBondContact O-N 2.84Å; M307-R309 VanDerWaalsContact C-N 3.33Å; M307-R309 PolarHBondContact O-N 3.05Å; M307-T310 PolarHBondContact O-N 3.1Å; M307-Y311 HydrophobicContact CE-CE2 3.56Å; M307-Y311 WeakPolarHBondContact O-CD2 3.5Å; M307-Y311 PolarHBondContact O-N 2.89Å; M307-Y311 HydrophobicContact SD-CE2 4.23Å
308R75.8Confident85.1Confident168 Ų16864 Ų6463%0.63430%0.303SS*.Hα-helixtrans-58.2-47.3173.4-76.7176.1-173.4169.42.9111R304 Q305 I306 T310 Y311 M312R304-R308 WeakPolarHBondContact O-CG 3.49Å; R304-R308 PolarHBondContact O-N 3.42Å; Q305-R308 PolarHBondContact O-N 3.49Å; I306-R308 PolarHBondContact O-N 2.87Å; R308-T310 PolarHBondContact O-N 2.96Å; R308-Y311 PolarHBondContact O-N 2.91Å; R308-M312 VanDerWaalsContact O-CB 3.23Å; R308-M312 WeakPolarHBondContact O-CB 3.38Å; R308-M312 WeakPolarHBondContact O-CG 3.44Å; R308-M312 PolarHBondContact O-N 2.84Å
309R72.1Confident85.1Confident102 Ų10263.9 Ų63.939%0.38530%0.303SS..Hα-helixtrans-61.6-43.2179-70.1169.4-179.7-167.310.1112.1A264 Q305 I306 M307 Y311 M312 A313 E437A264-R309 HydrophobicContact CB-CB 3.5Å; Q305-R309 VanDerWaalsContact O-CG 3.29Å; Q305-R309 WeakPolarHBondContact O-CG 3.48Å; Q305-R309 PolarHBondContact O-N 3.31Å; I306-R309 WeakPolarHBondContact O-CB 3.38Å; I306-R309 PolarHBondContact O-N 3.28Å; I306-R309 VanDerWaalsContact O-N 3.09Å; M307-R309 VanDerWaalsContact C-N 3.33Å; M307-R309 PolarHBondContact O-N 3.05Å; R309-Y311 PolarHBondContact O-N 3.16Å; R309-M312 PolarHBondContact O-N 3.29Å; R309-M312 VanDerWaalsContact O-N 3.08Å; R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 2.89Å; R309-E437 WeakPolarHBondContact CD-OE1 3.4Å; R309-E437 HydrophobicContact CG-CG 4.33Å; R309-E437 VanDerWaalsContact CG-OE1 3.23Å; R309-E437 WeakPolarHBondContact CG-OE1 3.3Å; R309-E437 IonicContact CZ-OE1 3.89Å; R309-E437 IonicContact NE-OE1 2.73Å; R309-E437 PolarHBondContact NE-OE1 3.49Å; R309-E437 IonicContact NH1-OE1 2.77Å
310T71.9Confident85.2Confident31 Ų3163.5 Ų63.519%0.1930%0.296CS..Hα-helixtrans-57.1-36.6177.5-51.50000112.6A264 L267 I306 M307 R308A264-T310 WeakPolarHBondContact CA-OG1 3.4Å; L267-T310 HydrophobicContact CB-CG2 4Å; I306-T310 PolarHBondContact O-N 2.94Å; I306-T310 PolarHBondContact O-OG1 3.21Å; M307-T310 PolarHBondContact O-N 3.1Å; R308-T310 PolarHBondContact O-N 2.96Å
311Y67Low85.4Confident179 Ų17960 Ų6070%0.70228%0.278SS*.Hα-helixtrans-90.8-15.1178.2-66.3-65.3000114.5M307 R308 R309M307-Y311 HydrophobicContact CE-CE2 3.56Å; M307-Y311 WeakPolarHBondContact O-CD2 3.5Å; M307-Y311 PolarHBondContact O-N 2.89Å; M307-Y311 HydrophobicContact SD-CE2 4.23Å; R308-Y311 PolarHBondContact O-N 2.91Å; R309-Y311 PolarHBondContact O-N 3.16Å
312M67.2Low85.5Confident79 Ų7955.7 Ų55.739%0.38926%0.258SS..Hα-helixtrans-111.52.7-174.8-63.3-176.979.900113.9R308 R309 I314 K435R308-M312 VanDerWaalsContact O-CB 3.23Å; R308-M312 WeakPolarHBondContact O-CB 3.38Å; R308-M312 WeakPolarHBondContact O-CG 3.44Å; R308-M312 PolarHBondContact O-N 2.84Å; R309-M312 PolarHBondContact O-N 3.29Å; R309-M312 VanDerWaalsContact O-N 3.08Å; M312-I314 PolarHBondContact O-N 2.84Å; M312-K435 WeakPolarHBondContact CE-O 3.32Å
313A76.3Confident85.5Confident30 Ų3054.4 Ų54.425%0.24825%0.253CS..EExtended strand (participates in β ladder)trans-69.8119.6174.600000111.1R309 E437R309-A313 WeakPolarHBondContact O-CB 3.38Å; R309-A313 PolarHBondContact O-N 2.89Å; A313-E437 CarbonylContact C-O 3.39Å; A313-E437 HydrophobicContact CB-CB 4.47Å
314I85.3Confident85.5Confident5 Ų555.6 Ų55.63%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-94.8109.4178.6-61.9174.4000107M312 I337 E339 F347 C436 E437 L438 V439M312-I314 PolarHBondContact O-N 2.84Å; I314-I337 HydrophobicContact CG2-CB 4.44Å; I314-I337 HydrophobicContact CG2-CD1 4.09Å; I314-I337 HydrophobicContact CG2-CG2 3.95Å; I314-E339 HydrophobicContact CG2-CG 3.8Å; I314-F347 HydrophobicContact CD1-CE2 3.54Å; I314-F347 HydrophobicContact CD1-CZ 3.27Å; I314-C436 HydrophobicContact CD1-CB 4.23Å; I314-E437 WeakPolarHBondContact CB-O 3.45Å; I314-E437 PolarHBondContact N-O 3.09Å; I314-L438 HydrophobicContact CG2-CD1 4.19Å; I314-V439 PolarHBondContact O-N 2.8Å
315S87Confident85.6Confident48 Ų4855.9 Ų55.934%0.33626%0.259SS..EExtended strand (participates in β ladder)trans-96136.8172.4-63.30000110.2K317 E339 P340S315-K317 PolarHBondContact O-N 3.26Å; S315-E339 WeakPolarHBondContact O-CA 3.29Å; S315-P340 VanDerWaalsContact O-CD 3.25Å; S315-P340 WeakPolarHBondContact O-CD 3.44Å
316I93Very high85.8Confident10 Ų1058.3 Ų58.35%0.05127%0.269CS..  trans-81.7122.2-178.8-56.1175.2000110V319 I337 M390 L438 V440 Q444 L448I316-V319 HydrophobicContact CG2-CB 4.42Å; I316-I337 HydrophobicContact CB-CG2 4.35Å; I316-I337 HydrophobicContact CG1-CD1 4.49Å; I316-I337 HydrophobicContact CG1-CG2 4Å; I316-I337 HydrophobicContact CG2-CG2 4.4Å; I316-M390 HydrophobicContact CG2-CE 3.71Å; I316-L438 HydrophobicContact CD1-CD1 4.12Å; I316-L438 HydrophobicContact CG1-CD1 4Å; I316-V440 HydrophobicContact CD1-CG1 4.41Å; I316-V440 HydrophobicContact CD1-CG2 3.96Å; I316-Q444 PolarHBondContact O-NE2 2.97Å; I316-L448 HydrophobicContact CD1-CD2 4.28Å
317K92.8Very high85.8Confident74 Ų7462.2 Ų62.232%0.32230%0.297SS..SBendtrans-100.5-37164.5-169.1-169.8-174.3-155.20111.2S315 K338 N342 M390 N393S315-K317 PolarHBondContact O-N 3.26Å; K317-K338 WeakPolarHBondContact CA-O 3.34Å; K317-K338 WeakPolarHBondContact CB-O 3.31Å; K317-K338 PolarHBondContact N-O 2.83Å; K317-N342 PolarHBondContact NZ-OD1 3.1Å; K317-M390 WeakPolarHBondContact O-CA 3.19Å; K317-N393 HydrophobicContact CD-CB 4.37Å; K317-N393 WeakPolarHBondContact CE-OD1 3.42Å; K317-N393 HydrophobicContact CG-CB 4.12Å; K317-N393 PolarHBondContact NZ-OD1 3.48Å
318G95.2Very high85.8Confident0 Ų066.4 Ų66.40%032%0.32CS..EExtended strand (participates in β ladder)trans-157.5159.7174.400000110.1K338 N393G318-K338 PolarHBondContact N-O 3.42Å; G318-K338 PolarHBondContact O-N 2.83Å; G318-N393 WeakPolarHBondContact CA-O 3.17Å
319V97Very high86.4Confident2 Ų263.7 Ų63.71%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-138.8143.6-174.767.40000111I316 L335 K336 M390 M447 L448 A451I316-V319 HydrophobicContact CG2-CB 4.42Å; V319-L335 HydrophobicContact CG2-CD1 3.39Å; V319-K336 CarbonylContact C-O 3.49Å; V319-K336 WeakPolarHBondContact CA-O 3.25Å; V319-M390 HydrophobicContact CG1-CE 3.85Å; V319-M447 HydrophobicContact CG1-CG 4.31Å; V319-L448 HydrophobicContact CG2-CD1 3.89Å; V319-A451 HydrophobicContact CG1-CB 4.29Å
320N96.8Very high87.4Confident49 Ų4960.4 Ų60.426%0.26231%0.307SS..EExtended strand (participates in β ladder)trans-135.5154167.3-160.6-5000109.1K336 I394 P395 I397N320-K336 PolarHBondContact N-O 2.84Å; N320-K336 PolarHBondContact O-N 3.4Å; N320-I394 HydrophobicContact CB-CG2 3.88Å; N320-P395 HydrophobicContact CB-CG 4Å; N320-P395 WeakPolarHBondContact CB-O 3.43Å; N320-P395 PolarHBondContact ND2-O 3.17Å; N320-I397 HydrophobicContact CB-CD1 3.92Å; N320-I397 HydrophobicContact CB-CG1 4.07Å
321T96.8Very high88.3Confident15 Ų1563.2 Ų63.29%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-139.2141.4-176.448.20000111.2L333 A334 L335 A451 I452 A455T321-L333 HydrophobicContact CG2-CD2 4.4Å; T321-A334 CarbonylContact C-O 3.48Å; T321-A334 WeakPolarHBondContact CA-O 3.36Å; T321-L335 HydrophobicContact CG2-CD1 3.73Å; T321-A451 HydrophobicContact CG2-CB 4.07Å; T321-A451 PolarHBondContact OG1-O 2.99Å; T321-I452 HydrophobicContact CG2-CG1 4.12Å; T321-A455 WeakPolarHBondContact OG1-CB 3.49Å
322G93.8Very high89.7Confident12 Ų1255.2 Ų55.212%0.12429%0.291CS..EExtended strand (participates in β ladder)trans-134.3169.1174.600000111.5L333 A334G322-L333 CarbonylContact O-C 3.57Å; G322-L333 WeakPolarHBondContact O-CA 3.28Å; G322-L333 WeakPolarHBondContact O-CD1 3.47Å; G322-A334 PolarHBondContact N-O 3.33Å; G322-A334 PolarHBondContact O-N 3.44Å
323V93.3Very high91Very high28 Ų2851.4 Ų51.417%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-119.2128.8176.2174.10000109.6R325 F330 L333 A455 A459 M461V323-R325 HydrophobicContact CG1-CB 4.35Å; V323-F330 HydrophobicContact CG1-CD2 3.83Å; V323-F330 HydrophobicContact CG1-CE2 4.05Å; V323-F330 HydrophobicContact CG2-CE2 4.48Å; V323-L333 HydrophobicContact CG2-CD1 4.26Å; V323-A455 HydrophobicContact CG2-CB 4.19Å; V323-A455 WeakPolarHBondContact CG2-O 3.26Å; V323-A459 HydrophobicContact CB-CB 3.7Å; V323-A459 HydrophobicContact CG1-CB 3.79Å; V323-A459 HydrophobicContact CG2-CB 3.85Å; V323-M461 HydrophobicContact CG1-CE 4.09Å; V323-M461 HydrophobicContact CG1-SD 3.98Å
324I92.2Very high92Very high34 Ų3450 Ų5017%0.17426%0.26CS..EExtended strand (participates in β ladder)trans-94.8122.4166.5-56179.4000107.3I331 A332 F348 L402 A405I324-I331 HydrophobicContact CB-CB 4.44Å; I324-I331 HydrophobicContact CG2-CB 4.08Å; I324-I331 HydrophobicContact CG2-CG2 4.31Å; I324-I331 WeakPolarHBondContact O-CA 2.99Å; I324-I331 WeakPolarHBondContact O-CB 3.23Å; I324-I331 PolarHBondContact O-N 2.8Å; I324-A332 PolarHBondContact N-O 3.41Å; I324-A332 PolarHBondContact O-N 2.8Å; I324-A332 VanDerWaalsContact O-N 3.16Å; I324-F348 HydrophobicContact CD1-CD1 3.57Å; I324-F348 HydrophobicContact CD1-CE1 3.61Å; I324-L402 HydrophobicContact CD1-CD2 4.46Å; I324-L402 HydrophobicContact CG1-CD2 4.28Å; I324-A405 HydrophobicContact CD1-CB 3.8Å
325R90.3Very high92.6Very high136 Ų13649.8 Ų49.851%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-134.9152-179.769.5179.917998.1-6.8111.8V323 S327 N329 M461V323-R325 HydrophobicContact CG1-CB 4.35Å; R325-S327 PolarHBondContact NH1-O 3.2Å; R325-N329 CarbonylContact C-O 3.57Å; R325-N329 VanDerWaalsContact CA-O 3.28Å; R325-N329 WeakPolarHBondContact CA-O 3.24Å; R325-N329 WeakPolarHBondContact CB-O 3.2Å; R325-M461 HydrophobicContact CB-CE 3.26Å; R325-M461 HydrophobicContact CG-CE 4.07Å
326K88.4Confident93.1Very high153 Ų15347.8 Ų47.867%0.66524%0.244SC*.EExtended strand (participates in β ladder)trans-119108.7169.2-172.3176.1-178.8177.80108.5N328 N329 I331K326-N328 PolarHBondContact O-N 2.87Å; K326-N329 PolarHBondContact N-O 3.13Å; K326-N329 WeakPolarHBondContact O-CB 3.4Å; K326-N329 PolarHBondContact O-N 3.42Å; K326-I331 HydrophobicContact CB-CD1 4Å; K326-I331 HydrophobicContact CB-CG1 4.05Å
327S85.8Confident93.3Very high92 Ų9247.3 Ų47.364%0.64324%0.242SC*.THydrogen-bonded Turntrans54.2-118.8-169.2-51.40000110.5R325R325-S327 PolarHBondContact NH1-O 3.2Å
328N84.9Confident93.4Very high147 Ų14745.8 Ų45.879%0.78624%0.235SC*.THydrogen-bonded Turntrans-94.43.9178.4-67.4-2.1000113.2K326K326-N328 PolarHBondContact O-N 2.87Å
329N88.1Confident93.2Very high112 Ų11246.4 Ų46.460%0.59924%0.238SC*.EExtended strand (participates in β ladder)trans-96.6126.8-178.9-63.5-36.1000110.7R325 K326R325-N329 CarbonylContact C-O 3.57Å; R325-N329 VanDerWaalsContact CA-O 3.28Å; R325-N329 WeakPolarHBondContact CA-O 3.24Å; R325-N329 WeakPolarHBondContact CB-O 3.2Å; K326-N329 PolarHBondContact N-O 3.13Å; K326-N329 WeakPolarHBondContact O-CB 3.4Å; K326-N329 PolarHBondContact O-N 3.42Å
330F92.1Very high92.5Very high33 Ų3349.5 Ų49.515%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-65.9131.9167.4-179.1-90.4000110.4V323 L333 V351 L354 M461 L464V323-F330 HydrophobicContact CG1-CD2 3.83Å; V323-F330 HydrophobicContact CG1-CE2 4.05Å; V323-F330 HydrophobicContact CG2-CE2 4.48Å; F330-L333 HydrophobicContact CE2-CB 4.38Å; F330-L333 HydrophobicContact CZ-CB 3.99Å; F330-V351 HydrophobicContact CD1-CG2 3.29Å; F330-V351 HydrophobicContact CE1-CB 4.47Å; F330-V351 HydrophobicContact CE1-CG2 3.49Å; F330-V351 VanDerWaalsContact CE1-CG2 3.49Å; F330-V351 HydrophobicContact CG-CG2 4.17Å; F330-V351 HydrophobicContact CZ-CG2 4.47Å; F330-L354 HydrophobicContact CZ-CD2 4.38Å; F330-M461 HydrophobicContact CB-CE 4.05Å; F330-M461 HydrophobicContact CB-SD 3.66Å; F330-M461 HydrophobicContact CD2-SD 3.62Å; F330-M461 HydrophobicContact CG-SD 4.12Å; F330-L464 HydrophobicContact CB-CD2 3.75Å; F330-L464 HydrophobicContact CD1-CD2 4.2Å; F330-L464 HydrophobicContact CD2-CD2 3.25Å; F330-L464 HydrophobicContact CE2-CD2 3.76Å; F330-L464 HydrophobicContact CG-CD2 3.47Å; F330-L464 VanDerWaalsContact CG-CD2 3.47Å; F330-L464 HydrophobicContact CZ-CD2 4.38Å
331I91.6Very high91.6Very high90 Ų9056.9 Ų56.946%0.46228%0.283SS..EExtended strand (participates in β ladder)trans-105.7-55174.2-56.4-59.9000109.6I324 K326I324-I331 HydrophobicContact CB-CB 4.44Å; I324-I331 HydrophobicContact CG2-CB 4.08Å; I324-I331 HydrophobicContact CG2-CG2 4.31Å; I324-I331 WeakPolarHBondContact O-CA 2.99Å; I324-I331 WeakPolarHBondContact O-CB 3.23Å; I324-I331 PolarHBondContact O-N 2.8Å; K326-I331 HydrophobicContact CB-CD1 4Å; K326-I331 HydrophobicContact CB-CG1 4.05Å
332A95.1Very high90.8Very high10 Ų1061 Ų618%0.08330%0.304CS..EExtended strand (participates in β ladder)trans-158.7154.7179.800000112.3I324 F348 M349I324-A332 PolarHBondContact N-O 3.41Å; I324-A332 PolarHBondContact O-N 2.8Å; I324-A332 VanDerWaalsContact O-N 3.16Å; A332-F348 HydrophobicContact CB-CB 4.15Å; A332-M349 CarbonylContact C-O 3.46Å; A332-M349 WeakPolarHBondContact CA-O 3.37Å; A332-M349 WeakPolarHBondContact CB-O 3.4Å
333L96.2Very high90.5Very high0 Ų065.6 Ų65.60%032%0.321CS..EExtended strand (participates in β ladder)trans-88126.5162-176.390.5000107.8T321 G322 V323 F330 F348 M349 L354 I452 A455T321-L333 HydrophobicContact CG2-CD2 4.4Å; G322-L333 CarbonylContact O-C 3.57Å; G322-L333 WeakPolarHBondContact O-CA 3.28Å; G322-L333 WeakPolarHBondContact O-CD1 3.47Å; V323-L333 HydrophobicContact CG2-CD1 4.26Å; F330-L333 HydrophobicContact CE2-CB 4.38Å; F330-L333 HydrophobicContact CZ-CB 3.99Å; L333-F348 CarbonylContact O-C 3.58Å; L333-F348 WeakPolarHBondContact O-CA 3.48Å; L333-M349 PolarHBondContact N-O 2.84Å; L333-M349 PolarHBondContact O-N 3.24Å; L333-L354 HydrophobicContact CB-CD2 4.18Å; L333-L354 HydrophobicContact CD2-CD1 3.7Å; L333-L354 HydrophobicContact CD2-CD2 4.37Å; L333-I452 HydrophobicContact CD2-CG1 3.9Å; L333-I452 HydrophobicContact CD2-CG2 4.34Å; L333-A455 HydrophobicContact CD1-CB 4.16Å
334A97.4Very high90.4Very high0 Ų068.3 Ų68.30%033%0.332CS..EExtended strand (participates in β ladder)trans-83.6121.816600000109T321 G322 L346 F347 F348 L402T321-A334 CarbonylContact C-O 3.48Å; T321-A334 WeakPolarHBondContact CA-O 3.36Å; G322-A334 PolarHBondContact N-O 3.33Å; G322-A334 PolarHBondContact O-N 3.44Å; A334-L346 HydrophobicContact CB-CD1 4.2Å; A334-F347 CarbonylContact C-O 3.41Å; A334-F347 WeakPolarHBondContact CA-O 3.46Å; A334-F348 HydrophobicContact CB-CD1 3.98Å; A334-F348 HydrophobicContact CB-CE1 3.9Å; A334-L402 HydrophobicContact CB-CD2 3.53Å
335L97.5Very high90.5Very high0 Ų067.5 Ų67.50%033%0.329CS..EExtended strand (participates in β ladder)trans-113.6106.7175.2175.664.6000108.7V319 T321 I337 L346 F347 M349 L438 L448V319-L335 HydrophobicContact CG2-CD1 3.39Å; T321-L335 HydrophobicContact CG2-CD1 3.73Å; L335-I337 HydrophobicContact CD1-CG1 4.42Å; L335-I337 HydrophobicContact CD2-CD1 4.09Å; L335-I337 HydrophobicContact CD2-CG1 4.48Å; L335-I337 HydrophobicContact CG-CD1 4.2Å; L335-I337 HydrophobicContact CG-CG1 4.06Å; L335-L346 WeakPolarHBondContact O-CA 3.23Å; L335-F347 PolarHBondContact N-O 3.45Å; L335-F347 PolarHBondContact O-N 2.93Å; L335-M349 HydrophobicContact CD2-CE 3.77Å; L335-L438 HydrophobicContact CD2-CD2 4.49Å; L335-L448 HydrophobicContact CD1-CD1 3.82Å
336K97.2Very high90.7Very high6 Ų662.3 Ų62.33%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-101.7125.6177.1-161.7166.6179.8174.80110.2V319 N320 E344 S345 L346 P395 E396 I397 E401V319-K336 CarbonylContact C-O 3.49Å; V319-K336 WeakPolarHBondContact CA-O 3.25Å; N320-K336 PolarHBondContact N-O 2.84Å; N320-K336 PolarHBondContact O-N 3.4Å; K336-E344 WeakPolarHBondContact CE-OE2 3.36Å; K336-E344 IonicContact NZ-OE2 2.77Å; K336-E344 PolarHBondContact NZ-OE2 2.97Å; K336-E344 VanDerWaalsContact NZ-OE2 3.1Å; K336-S345 CarbonylContact C-O 3.17Å; K336-S345 WeakPolarHBondContact CA-O 3.33Å; K336-L346 HydrophobicContact CB-CD1 3.9Å; K336-L346 HydrophobicContact CG-CB 4.5Å; K336-L346 HydrophobicContact CG-CD1 4.28Å; K336-P395 HydrophobicContact CB-CG 4.18Å; K336-P395 HydrophobicContact CD-CB 4.24Å; K336-P395 HydrophobicContact CG-CB 4.11Å; K336-P395 HydrophobicContact CG-CG 3.97Å; K336-E396 WeakPolarHBondContact CD-O 3.17Å; K336-E396 VanDerWaalsContact CE-O 3.26Å; K336-E396 WeakPolarHBondContact CE-O 3.48Å; K336-E396 PolarHBondContact NZ-O 3.19Å; K336-I397 HydrophobicContact CB-CD1 3.92Å; K336-I397 HydrophobicContact CB-CG1 3.67Å; K336-I397 HydrophobicContact CD-CG1 3.71Å; K336-I397 HydrophobicContact CG-CG1 4.31Å; K336-E401 IonicContact NZ-OE1 2.77Å; K336-E401 PolarHBondContact NZ-OE1 2.99Å; K336-E401 IonicContact NZ-OE2 3.83Å; K336-E401 PolarHBondContact NZ-OE2 3.04Å
337I96.8Very high91.1Very high1 Ų155.1 Ų55.11%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-119126-174.7-58.5174.1000108.1I314 I316 L335 E339 E344 S345 F347 L438I314-I337 HydrophobicContact CG2-CB 4.44Å; I314-I337 HydrophobicContact CG2-CD1 4.09Å; I314-I337 HydrophobicContact CG2-CG2 3.95Å; I316-I337 HydrophobicContact CB-CG2 4.35Å; I316-I337 HydrophobicContact CG1-CD1 4.49Å; I316-I337 HydrophobicContact CG1-CG2 4Å; I316-I337 HydrophobicContact CG2-CG2 4.4Å; L335-I337 HydrophobicContact CD1-CG1 4.42Å; L335-I337 HydrophobicContact CD2-CD1 4.09Å; L335-I337 HydrophobicContact CD2-CG1 4.48Å; L335-I337 HydrophobicContact CG-CD1 4.2Å; L335-I337 HydrophobicContact CG-CG1 4.06Å; I337-E339 HydrophobicContact CG2-CG 4.43Å; I337-E344 CarbonylContact O-C 3.59Å; I337-E344 VanDerWaalsContact O-CA 3.31Å; I337-E344 WeakPolarHBondContact O-CA 3.44Å; I337-S345 PolarHBondContact N-O 3.42Å; I337-S345 PolarHBondContact O-N 2.99Å; I337-F347 HydrophobicContact CD1-CD2 4.3Å; I337-F347 HydrophobicContact CD1-CE2 4.33Å; I337-L438 HydrophobicContact CD1-CD1 3.53Å
338K95.6Very high91.7Very high41 Ų4151.2 Ų51.218%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-87.2122.8163.7-165.9171.5-167.6169.60107.7K317 G318 N342 N393 P395K317-K338 WeakPolarHBondContact CA-O 3.34Å; K317-K338 WeakPolarHBondContact CB-O 3.31Å; K317-K338 PolarHBondContact N-O 2.83Å; G318-K338 PolarHBondContact N-O 3.42Å; G318-K338 PolarHBondContact O-N 2.83Å; K338-N342 VanDerWaalsContact CE-OD1 3.28Å; K338-N342 WeakPolarHBondContact CE-OD1 3.32Å; K338-N393 HydrophobicContact CD-CB 4.23Å; K338-N393 WeakPolarHBondContact CD-O 3.36Å; K338-P395 HydrophobicContact CB-CB 4.18Å; K338-P395 HydrophobicContact CB-CG 4.18Å
339E91Very high92.2Very high13 Ų1344.2 Ų44.26%0.06121%0.214CC..PPolyproline II helixtrans-91.1165.4177.7-68.5171.1-110.700111.1I314 S315 I337 N342 K343 S345I314-E339 HydrophobicContact CG2-CG 3.8Å; S315-E339 WeakPolarHBondContact O-CA 3.29Å; I337-E339 HydrophobicContact CG2-CG 4.43Å; E339-N342 PolarHBondContact O-N 3.09Å; E339-K343 HydrophobicContact CB-CB 4.15Å; E339-K343 WeakPolarHBondContact CB-O 3.28Å; E339-K343 VanDerWaalsContact CD-NZ 3.34Å; E339-K343 PolarHBondContact N-O 3.12Å; E339-K343 WeakPolarHBondContact OE1-CD 3.11Å; E339-K343 VanDerWaalsContact OE1-CE 3.23Å; E339-K343 WeakPolarHBondContact OE1-CE 3.15Å; E339-K343 WeakPolarHBondContact OE1-CG 3.3Å; E339-K343 IonicContact OE1-NZ 2.63Å; E339-K343 PolarHBondContact OE1-NZ 3Å; E339-K343 IonicContact OE2-NZ 2.81Å; E339-K343 PolarHBondContact OE2-NZ 3.14Å; E339-S345 PolarHBondContact OE1-OG 3.17Å
340P81.2Confident92.5Very high68 Ų6840.7 Ų40.744%0.44220%0.198SC..G310 helixtrans-47.7147.3160.9-27.135.1000111.4S315 N342S315-P340 VanDerWaalsContact O-CD 3.25Å; S315-P340 WeakPolarHBondContact O-CD 3.44Å; P340-N342 PolarHBondContact O-N 2.9Å
341R78.9Confident92.5Very high204 Ų20441.2 Ų41.277%0.7720%0.204SC*.G310 helixtrans65.119.7-176.2-48.3175.5-178.6173.2-0.1115K343R341-K343 PolarHBondContact O-N 3.08Å
342N79.9Confident92.4Very high101 Ų10141.4 Ų41.454%0.5420%0.204SC..G310 helixtrans62.920174.2-60.1-30.9000115.1K317 K338 E339 P340K317-N342 PolarHBondContact NZ-OD1 3.1Å; K338-N342 VanDerWaalsContact CE-OD1 3.28Å; K338-N342 WeakPolarHBondContact CE-OD1 3.32Å; E339-N342 PolarHBondContact O-N 3.09Å; P340-N342 PolarHBondContact O-N 2.9Å
343K86.8Confident92.4Very high109 Ų10942.1 Ų42.147%0.47421%0.205SC..  trans-68.5146163.4177.6-178.5164.4-132.50108.9E339 R341E339-K343 HydrophobicContact CB-CB 4.15Å; E339-K343 WeakPolarHBondContact CB-O 3.28Å; E339-K343 VanDerWaalsContact CD-NZ 3.34Å; E339-K343 PolarHBondContact N-O 3.12Å; E339-K343 WeakPolarHBondContact OE1-CD 3.11Å; E339-K343 VanDerWaalsContact OE1-CE 3.23Å; E339-K343 WeakPolarHBondContact OE1-CE 3.15Å; E339-K343 WeakPolarHBondContact OE1-CG 3.3Å; E339-K343 IonicContact OE1-NZ 2.63Å; E339-K343 PolarHBondContact OE1-NZ 3Å; E339-K343 IonicContact OE2-NZ 2.81Å; E339-K343 PolarHBondContact OE2-NZ 3.14Å; R341-K343 PolarHBondContact O-N 3.08Å
344E92.1Very high92.3Very high85 Ų8542.1 Ų42.140%0.39721%0.205SC..EExtended strand (participates in β ladder)trans-121.3140.2176-62.7-173.3168.600110.3K336 I337K336-E344 WeakPolarHBondContact CE-OE2 3.36Å; K336-E344 IonicContact NZ-OE2 2.77Å; K336-E344 PolarHBondContact NZ-OE2 2.97Å; K336-E344 VanDerWaalsContact NZ-OE2 3.1Å; I337-E344 CarbonylContact O-C 3.59Å; I337-E344 VanDerWaalsContact O-CA 3.31Å; I337-E344 WeakPolarHBondContact O-CA 3.44Å
345S93.7Very high92.1Very high17 Ų1744.1 Ų44.112%0.11921%0.213CC..EExtended strand (participates in β ladder)trans-124.8136.7175-74.90000109.4K336 I337 E339K336-S345 CarbonylContact C-O 3.17Å; K336-S345 WeakPolarHBondContact CA-O 3.33Å; I337-S345 PolarHBondContact N-O 3.42Å; I337-S345 PolarHBondContact O-N 2.99Å; E339-S345 PolarHBondContact OE1-OG 3.17Å
346L95.6Very high91.9Very high26 Ų2644.9 Ų44.914%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-124.2126.9178.6176.562000109.3A334 L335 K336 F348 E401 R409A334-L346 HydrophobicContact CB-CD1 4.2Å; L335-L346 WeakPolarHBondContact O-CA 3.23Å; K336-L346 HydrophobicContact CB-CD1 3.9Å; K336-L346 HydrophobicContact CG-CB 4.5Å; K336-L346 HydrophobicContact CG-CD1 4.28Å; L346-F348 HydrophobicContact CD1-CE1 4.36Å; L346-F348 HydrophobicContact CD1-CZ 4.46Å; L346-F348 HydrophobicContact CD2-CE1 4.22Å; L346-F348 HydrophobicContact CD2-CE2 4.41Å; L346-F348 HydrophobicContact CD2-CZ 3.66Å; L346-F348 HydrophobicContact CG-CE1 4.24Å; L346-F348 HydrophobicContact CG-CE2 4.35Å; L346-F348 HydrophobicContact CG-CZ 3.86Å; L346-E401 HydrophobicContact CD2-CB 3.77Å; L346-E401 HydrophobicContact CD2-CG 4.29Å; L346-R409 WeakPolarHBondContact O-CB 3.27Å
347F96.7Very high91.9Very high3 Ų344.6 Ų44.61%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-124.5150.1-180-62.7-69.2000111.6I314 A334 L335 I337 V411 L428 L430I314-F347 HydrophobicContact CD1-CE2 3.54Å; I314-F347 HydrophobicContact CD1-CZ 3.27Å; A334-F347 CarbonylContact C-O 3.41Å; A334-F347 WeakPolarHBondContact CA-O 3.46Å; L335-F347 PolarHBondContact N-O 3.45Å; L335-F347 PolarHBondContact O-N 2.93Å; I337-F347 HydrophobicContact CD1-CD2 4.3Å; I337-F347 HydrophobicContact CD1-CE2 4.33Å; F347-V411 HydrophobicContact CB-CG2 4.03Å; F347-V411 HydrophobicContact CD1-CG2 4.29Å; F347-V411 HydrophobicContact CG-CG2 4.44Å; F347-L428 HydrophobicContact CD2-CD1 4.48Å; F347-L428 HydrophobicContact CE1-CD1 4.47Å; F347-L428 HydrophobicContact CE2-CD1 4.4Å; F347-L428 HydrophobicContact CZ-CD1 4.41Å; F347-L430 HydrophobicContact CD1-CD2 3.91Å; F347-L430 HydrophobicContact CE1-CD1 4.13Å; F347-L430 HydrophobicContact CE1-CD2 3.96Å
348F97.1Very high91.8Very high9 Ų945 Ų454%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-118.1118.8174.8-53.9-74.2000110.3I324 A332 L333 A334 L346 L402 A405 R409 R410 V411I324-F348 HydrophobicContact CD1-CD1 3.57Å; I324-F348 HydrophobicContact CD1-CE1 3.61Å; A332-F348 HydrophobicContact CB-CB 4.15Å; L333-F348 CarbonylContact O-C 3.58Å; L333-F348 WeakPolarHBondContact O-CA 3.48Å; A334-F348 HydrophobicContact CB-CD1 3.98Å; A334-F348 HydrophobicContact CB-CE1 3.9Å; L346-F348 HydrophobicContact CD1-CE1 4.36Å; L346-F348 HydrophobicContact CD1-CZ 4.46Å; L346-F348 HydrophobicContact CD2-CE1 4.22Å; L346-F348 HydrophobicContact CD2-CE2 4.41Å; L346-F348 HydrophobicContact CD2-CZ 3.66Å; L346-F348 HydrophobicContact CG-CE1 4.24Å; L346-F348 HydrophobicContact CG-CE2 4.35Å; L346-F348 HydrophobicContact CG-CZ 3.86Å; F348-L402 HydrophobicContact CE1-CD2 4.4Å; F348-A405 HydrophobicContact CD1-CB 4.38Å; F348-A405 HydrophobicContact CD2-CB 4.35Å; F348-A405 HydrophobicContact CE1-CB 3.82Å; F348-A405 HydrophobicContact CE2-CB 3.79Å; F348-A405 HydrophobicContact CZ-CB 3.49Å; F348-A405 VanDerWaalsContact CZ-CB 3.49Å; F348-R409 HydrophobicContact CD2-CB 3.94Å; F348-R409 HydrophobicContact CE2-CB 4.01Å; F348-R409 PolarHBondContact N-O 3.42Å; F348-R409 VanDerWaalsContact N-O 3.08Å; F348-R410 CarbonylContact O-C 3.56Å; F348-R410 WeakPolarHBondContact O-CA 3.4Å; F348-V411 PolarHBondContact O-N 2.91Å
349M96.3Very high91.8Very high0 Ų043.3 Ų43.30%021%0.211CC..EExtended strand (participates in β ladder)trans-110.8135.5-178.5-66.9178.4-177.200110.8A332 L333 L335 E353 L354 L357 V411 L414 L428A332-M349 CarbonylContact C-O 3.46Å; A332-M349 WeakPolarHBondContact CA-O 3.37Å; A332-M349 WeakPolarHBondContact CB-O 3.4Å; L333-M349 PolarHBondContact N-O 2.84Å; L333-M349 PolarHBondContact O-N 3.24Å; L335-M349 HydrophobicContact CD2-CE 3.77Å; M349-E353 HydrophobicContact CB-CB 4.26Å; M349-E353 HydrophobicContact CG-CB 4.36Å; M349-L354 HydrophobicContact CB-CB 4.49Å; M349-L357 HydrophobicContact CE-CD2 4.32Å; M349-L357 HydrophobicContact SD-CD2 4.13Å; M349-V411 HydrophobicContact CE-CG2 4.22Å; M349-V411 HydrophobicContact CG-CB 4.08Å; M349-V411 HydrophobicContact CG-CG2 3.91Å; M349-L414 HydrophobicContact CE-CD1 4.12Å; M349-L428 HydrophobicContact CE-CD2 4.04Å
350S94.2Very high92Very high39 Ų3942.7 Ų42.727%0.27321%0.208SC..  trans-74.9177.216893.60000110.3M352 E353 L354S350-M352 PolarHBondContact O-N 2.8Å; S350-M352 PolarHBondContact OG-N 3.19Å; S350-E353 WeakPolarHBondContact CB-OE2 3.34Å; S350-E353 PolarHBondContact N-OE2 3.16Å; S350-E353 PolarHBondContact OG-OE2 2.7Å; S350-L354 WeakPolarHBondContact O-CB 3.36Å; S350-L354 PolarHBondContact O-N 3.48Å
351V91.8Very high92.7Very high44 Ų4439.6 Ų39.627%0.26719%0.188SC..Hα-helixtrans-57.6-32.8176.3-178.60000111.5F330 R355 L464 I468F330-V351 HydrophobicContact CD1-CG2 3.29Å; F330-V351 HydrophobicContact CE1-CB 4.47Å; F330-V351 HydrophobicContact CE1-CG2 3.49Å; F330-V351 VanDerWaalsContact CE1-CG2 3.49Å; F330-V351 HydrophobicContact CG-CG2 4.17Å; F330-V351 HydrophobicContact CZ-CG2 4.47Å; V351-R355 VanDerWaalsContact O-CB 3.32Å; V351-R355 WeakPolarHBondContact O-CB 3.47Å; V351-R355 PolarHBondContact O-N 2.83Å; V351-L464 HydrophobicContact CB-CD1 4.45Å; V351-L464 HydrophobicContact CG1-CD1 3.83Å; V351-L464 HydrophobicContact CG2-CD1 3.71Å; V351-I468 HydrophobicContact CG1-CD1 4.25Å; V351-I468 HydrophobicContact CG1-CG1 4.07Å
352M90.6Very high93.4Very high94 Ų9433 Ų3346%0.46317%0.166SC..Hα-helixtrans-70.2-54.1-176.2-66-63.2-6700111.5S350 L354 R355 D356S350-M352 PolarHBondContact O-N 2.8Å; S350-M352 PolarHBondContact OG-N 3.19Å; M352-L354 VanDerWaalsContact C-N 3.27Å; M352-L354 PolarHBondContact O-N 2.96Å; M352-R355 WeakPolarHBondContact O-CB 3.12Å; M352-R355 PolarHBondContact O-N 3.41Å; M352-D356 VanDerWaalsContact O-CG 3.31Å; M352-D356 PolarHBondContact O-N 3.02Å
353E94.1Very high94.1Very high24 Ų2428.4 Ų28.411%0.11214%0.142CC..Hα-helixtrans-66.4-34179.3-64.167.5-132.800111.1M349 S350 D356 L357 V411 L414M349-E353 HydrophobicContact CB-CB 4.26Å; M349-E353 HydrophobicContact CG-CB 4.36Å; S350-E353 WeakPolarHBondContact CB-OE2 3.34Å; S350-E353 PolarHBondContact N-OE2 3.16Å; S350-E353 PolarHBondContact OG-OE2 2.7Å; E353-D356 PolarHBondContact O-N 2.65Å; E353-L357 PolarHBondContact O-N 2.97Å; E353-V411 HydrophobicContact CB-CG1 4.3Å; E353-V411 HydrophobicContact CG-CB 4.45Å; E353-V411 HydrophobicContact CG-CG1 3.97Å; E353-L414 HydrophobicContact CB-CB 4.3Å; E353-L414 HydrophobicContact CG-CB 4.44Å
354L94.5Very high94.4Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-62.9-44.3174.6179.956000112.1F330 L333 M349 S350 M352 D356 L357 L358 I452 I456 I468F330-L354 HydrophobicContact CZ-CD2 4.38Å; L333-L354 HydrophobicContact CB-CD2 4.18Å; L333-L354 HydrophobicContact CD2-CD1 3.7Å; L333-L354 HydrophobicContact CD2-CD2 4.37Å; M349-L354 HydrophobicContact CB-CB 4.49Å; S350-L354 WeakPolarHBondContact O-CB 3.36Å; S350-L354 PolarHBondContact O-N 3.48Å; M352-L354 VanDerWaalsContact C-N 3.27Å; M352-L354 PolarHBondContact O-N 2.96Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 2.85Å; L354-L357 PolarHBondContact O-N 2.91Å; L354-L358 HydrophobicContact CD1-CD1 4.15Å; L354-L358 HydrophobicContact CD1-CG 4.41Å; L354-L358 HydrophobicContact CG-CD1 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.46Å; L354-L358 PolarHBondContact O-N 3.3Å; L354-I452 HydrophobicContact CD1-CD1 4.06Å; L354-I452 HydrophobicContact CD1-CG1 4.42Å; L354-I452 HydrophobicContact CD1-CG2 3.7Å; L354-I452 HydrophobicContact CD2-CG2 4.36Å; L354-I452 HydrophobicContact CG-CG2 4.46Å; L354-I456 HydrophobicContact CD2-CD1 4.11Å; L354-I468 HydrophobicContact CD2-CD1 3.77Å; L354-I468 HydrophobicContact CG-CD1 4.34Å
355R92.5Very high94.5Very high42 Ų4220.7 Ų20.716%0.15811%0.107CC..Hα-helixtrans-62.2-41.8175.6-176.7-175.764.4-171.71.1110.6V351 M352 L358 I359V351-R355 VanDerWaalsContact O-CB 3.32Å; V351-R355 WeakPolarHBondContact O-CB 3.47Å; V351-R355 PolarHBondContact O-N 2.83Å; M352-R355 WeakPolarHBondContact O-CB 3.12Å; M352-R355 PolarHBondContact O-N 3.41Å; R355-L358 PolarHBondContact O-N 2.6Å; R355-I359 HydrophobicContact CG-CD1 3.94Å; R355-I359 HydrophobicContact CG-CG1 4.39Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.32Å; R355-I359 PolarHBondContact O-N 3.4Å
356D94.1Very high94.3Very high16 Ų1621.3 Ų21.39%0.08611%0.108CC..Hα-helixtrans-64-42.9-179.4-70.31.6000111.8M352 E353 L354 I359 A360 L414 W498 K499M352-D356 VanDerWaalsContact O-CG 3.31Å; M352-D356 PolarHBondContact O-N 3.02Å; E353-D356 PolarHBondContact O-N 2.65Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 2.85Å; D356-I359 PolarHBondContact O-N 2.85Å; D356-A360 PolarHBondContact O-N 2.88Å; D356-L414 HydrophobicContact CB-CD2 4.05Å; D356-W498 HydrophobicContact CB-CH2 4.03Å; D356-W498 HydrophobicContact CB-CZ2 4.07Å; D356-W498 WeakPolarHBondContact O-CH2 3.47Å; D356-K499 VanDerWaalsContact OD1-CE 3.29Å; D356-K499 WeakPolarHBondContact OD1-CE 3.18Å; D356-K499 IonicContact OD1-NZ 2.75Å; D356-K499 PolarHBondContact OD1-NZ 2.84Å; D356-K499 VanDerWaalsContact OD2-CE 3.28Å; D356-K499 WeakPolarHBondContact OD2-CE 3.2Å; D356-K499 IonicContact OD2-NZ 3.24Å; D356-K499 PolarHBondContact OD2-NZ 3.29Å
357L96Very high94.1Very high0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-56.2-52.8170.8-179.960.3000111M349 E353 L354 I359 A360 L361 L414 F426 I452M349-L357 HydrophobicContact CE-CD2 4.32Å; M349-L357 HydrophobicContact SD-CD2 4.13Å; E353-L357 PolarHBondContact O-N 2.97Å; L354-L357 PolarHBondContact O-N 2.91Å; L357-I359 VanDerWaalsContact C-N 3.32Å; L357-I359 PolarHBondContact O-N 3.44Å; L357-A360 PolarHBondContact O-N 3.35Å; L357-A360 VanDerWaalsContact O-N 3.16Å; L357-L361 HydrophobicContact CD1-CD1 4.21Å; L357-L361 HydrophobicContact CD1-CD2 4.41Å; L357-L361 HydrophobicContact CD1-CG 4.17Å; L357-L361 HydrophobicContact CG-CD1 3.99Å; L357-L361 HydrophobicContact CG-CG 4.3Å; L357-L361 VanDerWaalsContact O-CG 3.32Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.02Å; L357-L414 HydrophobicContact CB-CD1 3.85Å; L357-L414 HydrophobicContact CD1-CD1 4.31Å; L357-F426 HydrophobicContact CD1-CD1 4.47Å; L357-F426 HydrophobicContact CD1-CD2 4.35Å; L357-F426 HydrophobicContact CD1-CE1 4.08Å; L357-F426 HydrophobicContact CD1-CE2 3.96Å; L357-F426 HydrophobicContact CD1-CZ 3.8Å; L357-I452 HydrophobicContact CD2-CD1 3.99Å
358L95.8Very high93.9Very high10 Ų1026.3 Ų26.35%0.05213%0.131CC..Hα-helixtrans-64.7-33.6-176.1-70.9168.4000113L354 R355 A360 L361 E362 I452 I468 L472L354-L358 HydrophobicContact CD1-CD1 4.15Å; L354-L358 HydrophobicContact CD1-CG 4.41Å; L354-L358 HydrophobicContact CG-CD1 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.46Å; L354-L358 PolarHBondContact O-N 3.3Å; R355-L358 PolarHBondContact O-N 2.6Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 3.33Å; L358-L361 HydrophobicContact CD2-CD1 4.48Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-E362 VanDerWaalsContact O-CB 3.26Å; L358-E362 WeakPolarHBondContact O-CB 3.35Å; L358-E362 PolarHBondContact O-N 2.98Å; L358-I452 HydrophobicContact CD1-CG2 4.26Å; L358-I452 HydrophobicContact CD2-CD1 4.13Å; L358-I452 HydrophobicContact CD2-CG2 4.42Å; L358-I468 HydrophobicContact CD1-CG2 3.36Å; L358-L472 HydrophobicContact CB-CD1 4.13Å; L358-L472 HydrophobicContact CB-CD2 3.58Å
359I94.8Very high93.5Very high5 Ų531.2 Ų31.23%0.02615%0.153CC..Hα-helixtrans-60.1-44.6174.3-75.3167.2000110.6R355 D356 L357 S363 L472 L502 F503 R530R355-I359 HydrophobicContact CG-CD1 3.94Å; R355-I359 HydrophobicContact CG-CG1 4.39Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.32Å; R355-I359 PolarHBondContact O-N 3.4Å; D356-I359 PolarHBondContact O-N 2.85Å; L357-I359 VanDerWaalsContact C-N 3.32Å; L357-I359 PolarHBondContact O-N 3.44Å; I359-S363 PolarHBondContact O-N 2.94Å; I359-S363 VanDerWaalsContact O-N 3.09Å; I359-L472 HydrophobicContact CG1-CD2 3.87Å; I359-L502 HydrophobicContact CG2-CD1 4.09Å; I359-F503 HydrophobicContact CG2-CE2 3.87Å; I359-F503 HydrophobicContact CG2-CZ 3.91Å; I359-R530 PolarHBondContact O-NH2 2.72Å
360A95.5Very high93.2Very high1 Ų137 Ų371%0.00818%0.178CC..Hα-helixtrans-68.8-45.1179.400000112.3D356 L357 L358 E362 S363 R364 L416 F426 W498 L502D356-A360 PolarHBondContact O-N 2.88Å; L357-A360 PolarHBondContact O-N 3.35Å; L357-A360 VanDerWaalsContact O-N 3.16Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 3.33Å; A360-E362 PolarHBondContact O-N 2.65Å; A360-S363 WeakPolarHBondContact O-CB 3.31Å; A360-S363 PolarHBondContact O-N 2.91Å; A360-R364 PolarHBondContact O-N 3.36Å; A360-L416 HydrophobicContact CB-CD2 4.12Å; A360-F426 HydrophobicContact CB-CE1 3.43Å; A360-F426 VanDerWaalsContact CB-CE1 3.43Å; A360-F426 HydrophobicContact CB-CZ 3.57Å; A360-W498 HydrophobicContact CB-CZ3 4.13Å; A360-L502 HydrophobicContact CB-CD1 4.16Å
361L95.8Very high93Very high2 Ų238 Ų381%0.0118%0.18CC..Hα-helixtrans-59.3-46.7177-67-173.3000111.6L357 L358 S363 R364 L365 L424 F426 V440 I445 L448L357-L361 HydrophobicContact CD1-CD1 4.21Å; L357-L361 HydrophobicContact CD1-CD2 4.41Å; L357-L361 HydrophobicContact CD1-CG 4.17Å; L357-L361 HydrophobicContact CG-CD1 3.99Å; L357-L361 HydrophobicContact CG-CG 4.3Å; L357-L361 VanDerWaalsContact O-CG 3.32Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.02Å; L358-L361 HydrophobicContact CD2-CD1 4.48Å; L358-L361 PolarHBondContact O-N 2.95Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.17Å; L361-R364 PolarHBondContact O-N 3.12Å; L361-L365 PolarHBondContact O-N 3.5Å; L361-L424 HydrophobicContact CD2-CD1 4.02Å; L361-F426 HydrophobicContact CD2-CE2 4.47Å; L361-F426 HydrophobicContact CD2-CZ 4.36Å; L361-V440 HydrophobicContact CD2-CG1 4.03Å; L361-I445 HydrophobicContact CB-CG2 3.73Å; L361-I445 HydrophobicContact CD1-CG2 4.49Å; L361-I445 HydrophobicContact CD2-CB 4.45Å; L361-I445 HydrophobicContact CD2-CD1 4.24Å; L361-I445 HydrophobicContact CD2-CG1 3.96Å; L361-I445 HydrophobicContact CD2-CG2 3.98Å; L361-I445 HydrophobicContact CG-CG2 4.24Å; L361-L448 HydrophobicContact CD1-CD2 3.76Å; L361-L448 HydrophobicContact CD1-CG 4.04Å; L361-L448 HydrophobicContact CD2-CD2 4.35Å
362E94.2Very high93.2Very high65 Ų6540.9 Ų40.930%0.30420%0.195SC..Hα-helixtrans-66.2-34.6179.3-178.953.7-164.700112.1L358 A360 R364 L365 H366 L472L358-E362 VanDerWaalsContact O-CB 3.26Å; L358-E362 WeakPolarHBondContact O-CB 3.35Å; L358-E362 PolarHBondContact O-N 2.98Å; A360-E362 PolarHBondContact O-N 2.65Å; E362-R364 VanDerWaalsContact C-N 3.29Å; E362-R364 PolarHBondContact O-N 2.84Å; E362-L365 PolarHBondContact O-N 2.92Å; E362-H366 VanDerWaalsContact O-CB 3.3Å; E362-H366 WeakPolarHBondContact O-CB 3.41Å; E362-H366 PolarHBondContact O-N 3.4Å; E362-L472 HydrophobicContact CB-CB 4.43Å; E362-L472 HydrophobicContact CG-CB 4.32Å
363S93.7Very high93.3Very high5 Ų540.6 Ų40.64%0.03521%0.207CC..Hα-helixtrans-56.5-45.1173.2-156.10000112.1I359 A360 L361 Q367 L502 R530I359-S363 PolarHBondContact O-N 2.94Å; I359-S363 VanDerWaalsContact O-N 3.09Å; A360-S363 WeakPolarHBondContact O-CB 3.31Å; A360-S363 PolarHBondContact O-N 2.91Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.17Å; S363-Q367 WeakPolarHBondContact O-CG 2.99Å; S363-Q367 PolarHBondContact O-N 3.06Å; S363-Q367 VanDerWaalsContact O-N 3.16Å; S363-L502 PolarHBondContact OG-O 3.22Å; S363-R530 PolarHBondContact OG-NE 3.18Å; S363-R530 VanDerWaalsContact OG-NE 3.13Å
364R94.4Very high93.3Very high9 Ų942.6 Ų42.63%0.03423%0.227CC..Hα-helixtrans-71.1-39.3178.5-177.362.470.4914.4111.9A360 L361 E362 H366 Q367 K368 N419 G421 E422 N423 L424 E442 I445A360-R364 PolarHBondContact O-N 3.36Å; L361-R364 PolarHBondContact O-N 3.12Å; E362-R364 VanDerWaalsContact C-N 3.29Å; E362-R364 PolarHBondContact O-N 2.84Å; R364-H366 VanDerWaalsContact C-N 3.33Å; R364-H366 PolarHBondContact O-N 2.83Å; R364-Q367 WeakPolarHBondContact O-CB 3.26Å; R364-Q367 PolarHBondContact O-N 2.84Å; R364-K368 WeakPolarHBondContact O-CG 3.37Å; R364-K368 PolarHBondContact O-N 3.46Å; R364-K368 VanDerWaalsContact O-N 3.08Å; R364-N419 PolarHBondContact NH2-O 3.21Å; R364-G421 PolarHBondContact NH1-O 3.43Å; R364-G421 PolarHBondContact NH2-O 2.98Å; R364-E422 PolarHBondContact NH1-O 3.08Å; R364-N423 PolarHBondContact NH2-O 2.97Å; R364-N423 VanDerWaalsContact NH2-O 3.08Å; R364-L424 HydrophobicContact CB-CD1 4Å; R364-L424 HydrophobicContact CG-CD1 4.5Å; R364-L424 VanDerWaalsContact NH2-CD2 3.34Å; R364-E442 HydrophobicContact CG-CB 4.09Å; R364-E442 IonicContact NH1-OE2 3.85Å; R364-E442 PolarHBondContact NH1-OE2 3.44Å; R364-I445 HydrophobicContact CB-CD1 3.61Å; R364-I445 HydrophobicContact CG-CD1 3.46Å; R364-I445 VanDerWaalsContact CG-CD1 3.46Å
365L92.5Very high93.3Very high23 Ų2344 Ų4412%0.1224%0.239CC..Hα-helixtrans-60.5-44.1174.5-72.1174.1000111.6L361 E362 Q367 K368 H369 I445L361-L365 PolarHBondContact O-N 3.5Å; E362-L365 PolarHBondContact O-N 2.92Å; L365-Q367 VanDerWaalsContact C-N 3.3Å; L365-Q367 PolarHBondContact O-N 2.76Å; L365-K368 PolarHBondContact O-N 3.48Å; L365-H369 PolarHBondContact O-CD2 3.47Å; L365-H369 VanDerWaalsContact O-CD2 3.3Å; L365-H369 PolarHBondContact O-N 3.05Å; L365-I445 HydrophobicContact CD1-CG2 3.84Å; L365-I445 HydrophobicContact CD2-CB 4.32Å; L365-I445 HydrophobicContact CD2-CG2 3.9Å; L365-I445 HydrophobicContact CG-CG2 3.64Å
366H90.6Very high93.4Very high30 Ų3046.4 Ų46.414%0.13925%0.248CC..Hα-helixtrans-58.3-41.2176.1-179.781.6000112.1E362 R364 K368 H369 K370 E531E362-H366 VanDerWaalsContact O-CB 3.3Å; E362-H366 WeakPolarHBondContact O-CB 3.41Å; E362-H366 PolarHBondContact O-N 3.4Å; R364-H366 VanDerWaalsContact C-N 3.33Å; R364-H366 PolarHBondContact O-N 2.83Å; H366-K368 PolarHBondContact O-N 3.23Å; H366-H369 PolarHBondContact O-N 2.96Å; H366-K370 WeakPolarHBondContact NE2-CE 3.43Å; H366-K370 PolarHBondContact NE2-NZ 3.19Å; H366-K370 PolarHBondContact O-N 3.05Å; H366-E531 IonicContact CE1-OE1 3.52Å; H366-E531 PolarHBondContact CE1-OE1 2.58Å; H366-E531 IonicContact NE2-OE1 3.86Å; H366-E531 PolarHBondContact NE2-OE1 2.55Å
367Q91Very high93.4Very high97 Ų9750.2 Ų50.245%0.45327%0.268SS..Hα-helixtrans-61.7-41.5173.1-69.1168.8-4.200112.1S363 R364 L365 H369 K370S363-Q367 WeakPolarHBondContact O-CG 2.99Å; S363-Q367 PolarHBondContact O-N 3.06Å; S363-Q367 VanDerWaalsContact O-N 3.16Å; R364-Q367 WeakPolarHBondContact O-CB 3.26Å; R364-Q367 PolarHBondContact O-N 2.84Å; L365-Q367 VanDerWaalsContact C-N 3.3Å; L365-Q367 PolarHBondContact O-N 2.76Å; Q367-H369 VanDerWaalsContact C-N 3.31Å; Q367-H369 PolarHBondContact O-N 2.87Å; Q367-K370 PolarHBondContact O-N 3.2Å; Q367-K370 VanDerWaalsContact O-N 3.16Å
368K92.6Very high93.3Very high37 Ų3756.8 Ų56.816%0.16130%0.299CS..Hα-helixtrans-69.8-28.1178.4-60.9-64160.4172.10112.9R364 L365 H366 K370 L371 Y379 E442R364-K368 WeakPolarHBondContact O-CG 3.37Å; R364-K368 PolarHBondContact O-N 3.46Å; R364-K368 VanDerWaalsContact O-N 3.08Å; L365-K368 PolarHBondContact O-N 3.48Å; H366-K368 PolarHBondContact O-N 3.23Å; K368-K370 PolarHBondContact O-N 3.36Å; K368-L371 HydrophobicContact CB-CD1 4.36Å; K368-L371 HydrophobicContact CD-CD1 3.88Å; K368-L371 WeakPolarHBondContact O-CB 3.32Å; K368-L371 WeakPolarHBondContact O-CG 3.46Å; K368-L371 PolarHBondContact O-N 3.16Å; K368-Y379 HydrophobicContact CB-CD1 4.38Å; K368-Y379 HydrophobicContact CB-CE1 4Å; K368-Y379 HydrophobicContact CB-CE2 4.49Å; K368-Y379 HydrophobicContact CD-CD2 3.96Å; K368-Y379 HydrophobicContact CD-CE2 3.87Å; K368-Y379 HydrophobicContact CD-CG 4.47Å; K368-Y379 HydrophobicContact CG-CD2 4.39Å; K368-Y379 HydrophobicContact CG-CE1 4.27Å; K368-Y379 HydrophobicContact CG-CE2 3.89Å; K368-E442 VanDerWaalsContact CE-OE1 3.26Å; K368-E442 WeakPolarHBondContact CE-OE1 3.41Å; K368-E442 WeakPolarHBondContact CE-OE2 3.44Å; K368-E442 IonicContact NZ-OE1 2.74Å; K368-E442 PolarHBondContact NZ-OE1 2.78Å; K368-E442 IonicContact NZ-OE2 3.62Å; K368-E442 PolarHBondContact NZ-OE2 3.33Å
369H88.8Confident93.2Very high112 Ų11257.4 Ų57.452%0.51930%0.3SS..Hα-helixtrans-67.9-20.8172.7-76.4-159.1000113.3L365 H366 Q367L365-H369 PolarHBondContact O-CD2 3.47Å; L365-H369 VanDerWaalsContact O-CD2 3.3Å; L365-H369 PolarHBondContact O-N 3.05Å; H366-H369 PolarHBondContact O-N 2.96Å; Q367-H369 VanDerWaalsContact C-N 3.31Å; Q367-H369 PolarHBondContact O-N 2.87Å
370K89.2Confident93.3Very high121 Ų12159.7 Ų59.753%0.52631%0.311SS..THydrogen-bonded Turntrans-86.3-2.4177.1-68.1-179.3170.2174.50113.9H366 Q367 K368 E531H366-K370 WeakPolarHBondContact NE2-CE 3.43Å; H366-K370 PolarHBondContact NE2-NZ 3.19Å; H366-K370 PolarHBondContact O-N 3.05Å; Q367-K370 PolarHBondContact O-N 3.2Å; Q367-K370 VanDerWaalsContact O-N 3.16Å; K368-K370 PolarHBondContact O-N 3.36Å; K370-E531 VanDerWaalsContact CE-OE1 3.25Å; K370-E531 WeakPolarHBondContact CE-OE1 3.35Å; K370-E531 IonicContact NZ-OE1 2.98Å; K370-E531 PolarHBondContact NZ-OE1 3.19Å
371L91.1Very high93.3Very high60 Ų6065.4 Ų65.431%0.31434%0.338SS..SBendtrans-62.3148.8173.9-68.5173.8000111.2K368 A375 R376 Y379K368-L371 HydrophobicContact CB-CD1 4.36Å; K368-L371 HydrophobicContact CD-CD1 3.88Å; K368-L371 WeakPolarHBondContact O-CB 3.32Å; K368-L371 WeakPolarHBondContact O-CG 3.46Å; K368-L371 PolarHBondContact O-N 3.16Å; L371-A375 HydrophobicContact CB-CB 4.22Å; L371-A375 HydrophobicContact CD2-CB 4.22Å; L371-R376 HydrophobicContact CB-CB 4.1Å; L371-Y379 HydrophobicContact CD1-CG 4.4Å
372D95.3Very high93.3Very high106 Ų10667.3 Ų67.357%0.56735%0.354SS*.  trans-63.6165.2168.470.159.9000111.5A374 A375 R376D372-A374 VanDerWaalsContact C-N 3.27Å; D372-A374 PolarHBondContact O-N 2.87Å; D372-A374 PolarHBondContact OD1-N 2.97Å; D372-A375 PolarHBondContact O-N 3.21Å; D372-A375 PolarHBondContact OD1-N 3.19Å; D372-R376 WeakPolarHBondContact O-CB 3.2Å; D372-R376 PolarHBondContact O-N 3.03Å
373A93.6Very high93.4Very high88 Ų8865.9 Ų65.973%0.72735%0.345SS*.Hα-helixtrans-59.2-35.3-173.700000113.7L377A373-L377 PolarHBondContact O-N 3.28Å
374A94.1Very high93.6Very high65 Ų6569.6 Ų69.654%0.53737%0.365SS..Hα-helixtrans-76-47.2-177.900000111.1D372 R376 L377 Q378D372-A374 VanDerWaalsContact C-N 3.27Å; D372-A374 PolarHBondContact O-N 2.87Å; D372-A374 PolarHBondContact OD1-N 2.97Å; A374-R376 VanDerWaalsContact C-N 3.32Å; A374-R376 PolarHBondContact O-N 3.11Å; A374-L377 PolarHBondContact O-N 3.05Å; A374-Q378 PolarHBondContact O-N 3.39Å
375A93.8Very high93.7Very high29 Ų2976.1 Ų76.124%0.2439%0.393CS..Hα-helixtrans-62.9-39.5176.200000111.6L371 D372 Q378 Y379L371-A375 HydrophobicContact CB-CB 4.22Å; L371-A375 HydrophobicContact CD2-CB 4.22Å; D372-A375 PolarHBondContact O-N 3.21Å; D372-A375 PolarHBondContact OD1-N 3.19Å; A375-Q378 PolarHBondContact O-N 3.33Å; A375-Y379 WeakPolarHBondContact O-CB 3.3Å; A375-Y379 PolarHBondContact O-N 3.4Å
376R93.7Very high93.8Very high94 Ų9476.7 Ų76.736%0.35540%0.398SS..Hα-helixtrans-62.1-44.3176.1-176.8174.1174.9158.94.2112.1L371 D372 A374 Q378 Y379 E380L371-R376 HydrophobicContact CB-CB 4.1Å; D372-R376 WeakPolarHBondContact O-CB 3.2Å; D372-R376 PolarHBondContact O-N 3.03Å; A374-R376 VanDerWaalsContact C-N 3.32Å; A374-R376 PolarHBondContact O-N 3.11Å; R376-Q378 VanDerWaalsContact C-N 3.33Å; R376-Q378 PolarHBondContact O-N 2.81Å; R376-Y379 PolarHBondContact O-N 3.09Å; R376-E380 HydrophobicContact CG-CG 4.37Å; R376-E380 WeakPolarHBondContact CG-OE1 3.34Å; R376-E380 IonicContact CZ-OE1 3.21Å; R376-E380 IonicContact NE-OE1 2.78Å; R376-E380 PolarHBondContact NE-OE1 3.35Å; R376-E380 IonicContact NH2-OE1 3.56Å; R376-E380 WeakPolarHBondContact O-CB 3.45Å; R376-E380 VanDerWaalsContact O-CG 3.32Å; R376-E380 WeakPolarHBondContact O-CG 3.47Å; R376-E380 PolarHBondContact O-N 3.45Å
377L94.4Very high94.1Very high95 Ų9576.5 Ų76.550%0.49740%0.398SS..Hα-helixtrans-61-42.6177.4-177.164.6000111.8A373 A374 E380 Q381A373-L377 PolarHBondContact O-N 3.28Å; A374-L377 PolarHBondContact O-N 3.05Å; L377-E380 PolarHBondContact O-N 3.23Å; L377-Q381 WeakPolarHBondContact O-CG 3.43Å; L377-Q381 PolarHBondContact O-N 2.91Å
378Q94.7Very high94.3Very high138 Ų13878.6 Ų78.665%0.64541%0.405SS*.Hα-helixtrans-63.7-44.3176.5-70.4179.9-3.100111.8A374 A375 R376 Q381 A382A374-Q378 PolarHBondContact O-N 3.39Å; A375-Q378 PolarHBondContact O-N 3.33Å; R376-Q378 VanDerWaalsContact C-N 3.33Å; R376-Q378 PolarHBondContact O-N 2.81Å; Q378-Q381 PolarHBondContact O-N 2.81Å; Q378-A382 WeakPolarHBondContact O-CB 3.42Å; Q378-A382 PolarHBondContact O-N 2.71Å
379Y94.5Very high94.4Very high23 Ų2382.5 Ų82.59%0.0942%0.422CS..Hα-helixtrans-58.6-47.9174.8169.6-99.3000111.6K368 L371 A375 R376 Q381 A382 R383 E442 L443K368-Y379 HydrophobicContact CB-CD1 4.38Å; K368-Y379 HydrophobicContact CB-CE1 4Å; K368-Y379 HydrophobicContact CB-CE2 4.49Å; K368-Y379 HydrophobicContact CD-CD2 3.96Å; K368-Y379 HydrophobicContact CD-CE2 3.87Å; K368-Y379 HydrophobicContact CD-CG 4.47Å; K368-Y379 HydrophobicContact CG-CD2 4.39Å; K368-Y379 HydrophobicContact CG-CE1 4.27Å; K368-Y379 HydrophobicContact CG-CE2 3.89Å; L371-Y379 HydrophobicContact CD1-CG 4.4Å; A375-Y379 WeakPolarHBondContact O-CB 3.3Å; A375-Y379 PolarHBondContact O-N 3.4Å; R376-Y379 PolarHBondContact O-N 3.09Å; Y379-Q381 PolarHBondContact O-N 3.27Å; Y379-A382 PolarHBondContact O-N 3.37Å; Y379-R383 WeakPolarHBondContact O-CB 3.33Å; Y379-R383 PolarHBondContact O-N 3.15Å; Y379-E442 HydrophobicContact CE2-CG 4.28Å; Y379-E442 PolarHBondContact OH-O 3.1Å; Y379-L443 HydrophobicContact CD2-CD2 3.7Å; Y379-L443 HydrophobicContact CE2-CD2 3.61Å
380E95.5Very high94.8Very high54 Ų5477.3 Ų77.325%0.25240%0.398SS..Hα-helixtrans-61.2-43.2179.5-73.3173.1179.500111.7R376 L377 R383 D384R376-E380 HydrophobicContact CG-CG 4.37Å; R376-E380 WeakPolarHBondContact CG-OE1 3.34Å; R376-E380 IonicContact CZ-OE1 3.21Å; R376-E380 IonicContact NE-OE1 2.78Å; R376-E380 PolarHBondContact NE-OE1 3.35Å; R376-E380 IonicContact NH2-OE1 3.56Å; R376-E380 WeakPolarHBondContact O-CB 3.45Å; R376-E380 VanDerWaalsContact O-CG 3.32Å; R376-E380 WeakPolarHBondContact O-CG 3.47Å; R376-E380 PolarHBondContact O-N 3.45Å; L377-E380 PolarHBondContact O-N 3.23Å; E380-R383 PolarHBondContact O-N 3.04Å; E380-D384 WeakPolarHBondContact O-CB 3.35Å; E380-D384 PolarHBondContact O-N 2.5Å
381Q96.4Very high95.1Very high121 Ų12174 Ų7457%0.56539%0.393SS*.Hα-helixtrans-62.8-44.6176-72.9176.4-4.700112.9L377 Q378 Y379 K385L377-Q381 WeakPolarHBondContact O-CG 3.43Å; L377-Q381 PolarHBondContact O-N 2.91Å; Q378-Q381 PolarHBondContact O-N 2.81Å; Y379-Q381 PolarHBondContact O-N 3.27Å; Q381-K385 PolarHBondContact O-N 3.34Å
382A95.6Very high95.2Very high42 Ų4277.3 Ų77.335%0.34741%0.407SS..Hα-helixtrans-64.5-43.2177.300000111.1Q378 Y379 K385 V386 L443Q378-A382 WeakPolarHBondContact O-CB 3.42Å; Q378-A382 PolarHBondContact O-N 2.71Å; Y379-A382 PolarHBondContact O-N 3.37Å; A382-K385 WeakPolarHBondContact O-CB 3.24Å; A382-K385 PolarHBondContact O-N 3.46Å; A382-V386 PolarHBondContact O-N 3.35Å; A382-V386 VanDerWaalsContact O-N 3.15Å; A382-L443 HydrophobicContact CB-CD1 4.02Å; A382-L443 HydrophobicContact CB-CD2 4.02Å
383R96.6Very high95.2Very high34 Ų3473.6 Ų73.613%0.12839%0.387CS..Hα-helixtrans-60-50177.5-179.7-157.265-167.81111Y379 E380 K385 V386 I387 L443 E446Y379-R383 WeakPolarHBondContact O-CB 3.33Å; Y379-R383 PolarHBondContact O-N 3.15Å; E380-R383 PolarHBondContact O-N 3.04Å; R383-K385 PolarHBondContact O-N 2.97Å; R383-V386 CarbonylContact O-C 3.49Å; R383-V386 WeakPolarHBondContact O-CA 3.29Å; R383-V386 WeakPolarHBondContact O-CB 3.26Å; R383-V386 PolarHBondContact O-N 2.96Å; R383-I387 HydrophobicContact CG-CD1 3.8Å; R383-I387 HydrophobicContact CG-CG1 4.19Å; R383-I387 WeakPolarHBondContact O-CG1 3.33Å; R383-I387 PolarHBondContact O-N 3.27Å; R383-L443 HydrophobicContact CB-CD2 4.06Å; R383-L443 WeakPolarHBondContact CG-O 3.33Å; R383-E446 WeakPolarHBondContact CD-OE2 3.2Å; R383-E446 IonicContact CZ-OE2 3.33Å; R383-E446 IonicContact NE-OE2 2.62Å; R383-E446 PolarHBondContact NE-OE2 3.18Å; R383-E446 IonicContact NH1-OE1 3.93Å; R383-E446 IonicContact NH1-OE2 2.7Å; R383-E446 PolarHBondContact NH1-OE2 3.14Å
384D96.7Very high95.3Very high84 Ų8473.1 Ų73.145%0.44937%0.372SS..Hα-helixtrans-61.4-35.7-177.3-69-5.3000111.9E380 K388E380-D384 WeakPolarHBondContact O-CB 3.35Å; E380-D384 PolarHBondContact O-N 2.5Å; D384-K388 WeakPolarHBondContact O-CB 3.36Å; D384-K388 PolarHBondContact O-N 3.07Å
385K96.5Very high95.4Very high145 Ų14570.1 Ų70.163%0.6335%0.347SS*.Hα-helixtrans-64.2-40.5172.9-172.4179.1-178.5-179.90112.3Q381 A382 R383 K389Q381-K385 PolarHBondContact O-N 3.34Å; A382-K385 WeakPolarHBondContact O-CB 3.24Å; A382-K385 PolarHBondContact O-N 3.46Å; R383-K385 PolarHBondContact O-N 2.97Å; K385-K389 PolarHBondContact O-N 3.42Å
386V95.4Very high95.4Very high35 Ų3575.5 Ų75.521%0.21237%0.367CS..Hα-helixtrans-69.4-45.8176.6171.50000111A382 R383 K388 K389 M390 L443 Q444A382-V386 PolarHBondContact O-N 3.35Å; A382-V386 VanDerWaalsContact O-N 3.15Å; R383-V386 CarbonylContact O-C 3.49Å; R383-V386 WeakPolarHBondContact O-CA 3.29Å; R383-V386 WeakPolarHBondContact O-CB 3.26Å; R383-V386 PolarHBondContact O-N 2.96Å; V386-K388 VanDerWaalsContact C-N 3.29Å; V386-K388 PolarHBondContact O-N 2.98Å; V386-K389 PolarHBondContact O-N 3.2Å; V386-K389 VanDerWaalsContact O-N 3.11Å; V386-M390 HydrophobicContact CG1-CG 4.3Å; V386-M390 HydrophobicContact CG1-SD 4.06Å; V386-M390 WeakPolarHBondContact O-CG 3.22Å; V386-M390 PolarHBondContact O-N 2.63Å; V386-L443 HydrophobicContact CB-CB 4.05Å; V386-L443 HydrophobicContact CG1-CB 4.19Å; V386-L443 HydrophobicContact CG2-CB 3.93Å; V386-L443 HydrophobicContact CG2-CD1 3.83Å; V386-Q444 HydrophobicContact CG1-CG 3.75Å
387I96.1Very high95.4Very high26 Ų2672.5 Ų72.513%0.13336%0.358CS..Hα-helixtrans-56.6-44.8177.1-68.1-178.8000110.6R383 K389 M390 A391 E446 M447R383-I387 HydrophobicContact CG-CD1 3.8Å; R383-I387 HydrophobicContact CG-CG1 4.19Å; R383-I387 WeakPolarHBondContact O-CG1 3.33Å; R383-I387 PolarHBondContact O-N 3.27Å; I387-K389 PolarHBondContact O-N 2.75Å; I387-M390 PolarHBondContact O-N 2.81Å; I387-A391 PolarHBondContact O-N 2.8Å; I387-E446 HydrophobicContact CD1-CB 4.32Å; I387-E446 HydrophobicContact CD1-CG 4.47Å; I387-M447 HydrophobicContact CG1-CB 4.16Å; I387-M447 HydrophobicContact CG2-SD 4.33Å
388K96.3Very high95.3Very high141 Ų14172 Ų7261%0.61336%0.355SS*.Hα-helixtrans-58.2-46.8176.7-174.2178.9177.5-179.20111.9D384 V386 M390 A391 E392D384-K388 WeakPolarHBondContact O-CB 3.36Å; D384-K388 PolarHBondContact O-N 3.07Å; V386-K388 VanDerWaalsContact C-N 3.29Å; V386-K388 PolarHBondContact O-N 2.98Å; K388-M390 VanDerWaalsContact C-N 3.33Å; K388-M390 PolarHBondContact O-N 3.22Å; K388-A391 WeakPolarHBondContact O-CB 3.2Å; K388-A391 PolarHBondContact O-N 3.13Å; K388-E392 WeakPolarHBondContact O-CG 3.41Å; K388-E392 PolarHBondContact O-N 3.07Å; K388-E392 VanDerWaalsContact O-N 3.16Å
389K94.9Very high95Very high120 Ų12070 Ų7052%0.52235%0.352SS..Hα-helixtrans-63.9-37.1176.6-73.3-177.7175.8-173.70112.6K385 V386 I387 E392 N393K385-K389 PolarHBondContact O-N 3.42Å; V386-K389 PolarHBondContact O-N 3.2Å; V386-K389 VanDerWaalsContact O-N 3.11Å; I387-K389 PolarHBondContact O-N 2.75Å; K389-E392 PolarHBondContact O-N 3.14Å; K389-N393 PolarHBondContact O-N 2.87Å; K389-N393 PolarHBondContact O-ND2 3.22Å
390M96.7Very high94.8Very high3 Ų373.9 Ų73.92%0.01537%0.374CS..Hα-helixtrans-65-41.1176.1-71.5179.168.700111.4I316 K317 V319 V386 I387 K388 E392 N393 I394 Q444 M447I316-M390 HydrophobicContact CG2-CE 3.71Å; K317-M390 WeakPolarHBondContact O-CA 3.19Å; V319-M390 HydrophobicContact CG1-CE 3.85Å; V386-M390 HydrophobicContact CG1-CG 4.3Å; V386-M390 HydrophobicContact CG1-SD 4.06Å; V386-M390 WeakPolarHBondContact O-CG 3.22Å; V386-M390 PolarHBondContact O-N 2.63Å; I387-M390 PolarHBondContact O-N 2.81Å; K388-M390 VanDerWaalsContact C-N 3.33Å; K388-M390 PolarHBondContact O-N 3.22Å; M390-E392 VanDerWaalsContact C-N 3.31Å; M390-E392 PolarHBondContact O-N 3.28Å; M390-N393 CarbonylContact O-C 3.6Å; M390-N393 WeakPolarHBondContact O-CA 3.19Å; M390-N393 PolarHBondContact O-N 3.5Å; M390-I394 PolarHBondContact O-N 3.28Å; M390-Q444 HydrophobicContact CE-CB 4.19Å; M390-Q444 HydrophobicContact SD-CB 3.74Å; M390-Q444 HydrophobicContact SD-CG 3.69Å; M390-M447 HydrophobicContact CB-CG 4.33Å; M390-M447 HydrophobicContact CE-CB 3.98Å; M390-M447 HydrophobicContact CE-CG 3.76Å; M390-M447 HydrophobicContact SD-CB 4.08Å; M390-M447 HydrophobicContact SD-CG 4.19Å
391A94.3Very high94.6Very high51 Ų5173.7 Ų73.742%0.42137%0.374SS..Hα-helixtrans-61.3-38.6176.500000112.2I387 K388 N393 I394I387-A391 PolarHBondContact O-N 2.8Å; K388-A391 WeakPolarHBondContact O-CB 3.2Å; K388-A391 PolarHBondContact O-N 3.13Å; A391-N393 PolarHBondContact O-N 3.07Å; A391-I394 WeakPolarHBondContact O-CG1 3.35Å
392E95Very high94.2Very high129 Ų12970.2 Ų70.260%0.60336%0.359SS*.THydrogen-bonded Turntrans-67.7-13.3174-67.3165.6-174.700113.3K388 K389 M390K388-E392 WeakPolarHBondContact O-CG 3.41Å; K388-E392 PolarHBondContact O-N 3.07Å; K388-E392 VanDerWaalsContact O-N 3.16Å; K389-E392 PolarHBondContact O-N 3.14Å; M390-E392 VanDerWaalsContact C-N 3.31Å; M390-E392 PolarHBondContact O-N 3.28Å
393N95.5Very high93.8Very high28 Ų2876 Ų7615%0.1538%0.376CS..THydrogen-bonded Turntrans-121.819.1-174.3-75-84.1000113.6K317 G318 K338 K389 M390 A391 P395K317-N393 HydrophobicContact CD-CB 4.37Å; K317-N393 WeakPolarHBondContact CE-OD1 3.42Å; K317-N393 HydrophobicContact CG-CB 4.12Å; K317-N393 PolarHBondContact NZ-OD1 3.48Å; G318-N393 WeakPolarHBondContact CA-O 3.17Å; K338-N393 HydrophobicContact CD-CB 4.23Å; K338-N393 WeakPolarHBondContact CD-O 3.36Å; K389-N393 PolarHBondContact O-N 2.87Å; K389-N393 PolarHBondContact O-ND2 3.22Å; M390-N393 CarbonylContact O-C 3.6Å; M390-N393 WeakPolarHBondContact O-CA 3.19Å; M390-N393 PolarHBondContact O-N 3.5Å; A391-N393 PolarHBondContact O-N 3.07Å; N393-P395 WeakPolarHBondContact O-CD 3.32Å
394I95.8Very high93.4Very high79 Ų7979.7 Ų79.741%0.40540%0.398SS..PPolyproline II helixtrans-59.4121.8177.4-65.6170.9000109.3N320 M390 A391 M447N320-I394 HydrophobicContact CB-CG2 3.88Å; M390-I394 PolarHBondContact O-N 3.28Å; A391-I394 WeakPolarHBondContact O-CG1 3.35Å; I394-M447 HydrophobicContact CD1-CE 4.3Å
395P95.8Very high93.1Very high2 Ų277.5 Ų77.51%0.01339%0.392CS..PPolyproline II helixtrans-73.7146.7173.130.2-33.2000110.9N320 K336 K338 N393N320-P395 HydrophobicContact CB-CG 4Å; N320-P395 WeakPolarHBondContact CB-O 3.43Å; N320-P395 PolarHBondContact ND2-O 3.17Å; K336-P395 HydrophobicContact CB-CG 4.18Å; K336-P395 HydrophobicContact CD-CB 4.24Å; K336-P395 HydrophobicContact CG-CB 4.11Å; K336-P395 HydrophobicContact CG-CG 3.97Å; K338-P395 HydrophobicContact CB-CB 4.18Å; K338-P395 HydrophobicContact CB-CG 4.18Å; N393-P395 WeakPolarHBondContact O-CD 3.32Å
396E94.2Very high92.9Very high142 Ų14273.9 Ų73.966%0.66438%0.379SS*.PPolyproline II helixtrans-76.7135173.8-172175.6-166.900110.3K336 L398K336-E396 WeakPolarHBondContact CD-O 3.17Å; K336-E396 VanDerWaalsContact CE-O 3.26Å; K336-E396 WeakPolarHBondContact CE-O 3.48Å; K336-E396 PolarHBondContact NZ-O 3.19Å; E396-L398 HydrophobicContact CG-CD2 4.09Å
397I92.5Very high92.7Very high31 Ų3176.5 Ų76.516%0.15939%0.392CS..PPolyproline II helixtrans-98.7116.1169.8-66.9175.6000108N320 K336 L402N320-I397 HydrophobicContact CB-CD1 3.92Å; N320-I397 HydrophobicContact CB-CG1 4.07Å; K336-I397 HydrophobicContact CB-CD1 3.92Å; K336-I397 HydrophobicContact CB-CG1 3.67Å; K336-I397 HydrophobicContact CD-CG1 3.71Å; K336-I397 HydrophobicContact CG-CG1 4.31Å; I397-L402 HydrophobicContact CG2-CD1 3.82Å; I397-L402 HydrophobicContact CG2-CD2 3.79Å; I397-L402 HydrophobicContact CG2-CG 3.73Å
398L91.8Very high92.5Very high83 Ų8378.5 Ų78.544%0.43540%0.402SS..PPolyproline II helixtrans-82.4146.1-179.6-56.6176000110.6E396 D400 E401 L402E396-L398 HydrophobicContact CG-CD2 4.09Å; L398-D400 PolarHBondContact O-N 3.33Å; L398-E401 HydrophobicContact CB-CG 4.04Å; L398-E401 PolarHBondContact N-OE2 3.3Å; L398-E401 WeakPolarHBondContact O-CB 3.34Å; L398-E401 PolarHBondContact O-N 3.47Å; L398-E401 VanDerWaalsContact O-N 3.16Å; L398-L402 PolarHBondContact O-N 2.93Å
399V88.3Confident92.4Very high98 Ų9877.3 Ų77.359%0.59439%0.394SS*.Hα-helixtrans-59-35.8177.7176.20000111.6L402 K403V399-L402 PolarHBondContact O-N 3.23Å; V399-K403 HydrophobicContact CG1-CD 3.91Å; V399-K403 HydrophobicContact CG1-CG 4.21Å; V399-K403 WeakPolarHBondContact O-CG 3.45Å; V399-K403 PolarHBondContact O-N 2.87Å
400D90.4Very high92.4Very high103 Ų10376.4 Ų76.455%0.55139%0.387SS*.Hα-helixtrans-65-39.3178.9-163.372.1000112.3L398 L402 K403 N404L398-D400 PolarHBondContact O-N 3.33Å; D400-L402 PolarHBondContact O-N 2.85Å; D400-K403 PolarHBondContact O-N 2.85Å; D400-N404 VanDerWaalsContact CG-ND2 3.31Å; D400-N404 WeakPolarHBondContact O-CB 3.41Å; D400-N404 PolarHBondContact O-N 3.4Å; D400-N404 PolarHBondContact OD1-ND2 3.3Å; D400-N404 PolarHBondContact OD2-ND2 2.91Å
401E91Very high92.5Very high51 Ų5176.3 Ų76.324%0.23839%0.387CS..Hα-helixtrans-61.2-30.5176.4-66.5175.6127.300112.3K336 L346 L398 A405K336-E401 IonicContact NZ-OE1 2.77Å; K336-E401 PolarHBondContact NZ-OE1 2.99Å; K336-E401 IonicContact NZ-OE2 3.83Å; K336-E401 PolarHBondContact NZ-OE2 3.04Å; L346-E401 HydrophobicContact CD2-CB 3.77Å; L346-E401 HydrophobicContact CD2-CG 4.29Å; L398-E401 HydrophobicContact CB-CG 4.04Å; L398-E401 PolarHBondContact N-OE2 3.3Å; L398-E401 WeakPolarHBondContact O-CB 3.34Å; L398-E401 PolarHBondContact O-N 3.47Å; L398-E401 VanDerWaalsContact O-N 3.16Å; E401-A405 WeakPolarHBondContact O-CA 3.3Å; E401-A405 PolarHBondContact O-N 3.37Å
402L89.5Confident92.5Very high48 Ų4876.6 Ų76.625%0.25138%0.381SS..Hα-helixtrans-85.4-36.2177.3-59.9-176.3000112.6I324 A334 F348 I397 L398 V399 D400I324-L402 HydrophobicContact CD1-CD2 4.46Å; I324-L402 HydrophobicContact CG1-CD2 4.28Å; A334-L402 HydrophobicContact CB-CD2 3.53Å; F348-L402 HydrophobicContact CE1-CD2 4.4Å; I397-L402 HydrophobicContact CG2-CD1 3.82Å; I397-L402 HydrophobicContact CG2-CD2 3.79Å; I397-L402 HydrophobicContact CG2-CG 3.73Å; L398-L402 PolarHBondContact O-N 2.93Å; V399-L402 PolarHBondContact O-N 3.23Å; D400-L402 PolarHBondContact O-N 2.85Å
403K87Confident92.5Very high162 Ų16273 Ų7370%0.70437%0.368SS*.Hα-helixtrans-71.6-39.2177.9-76.1-177.6177.8177.20112V399 D400V399-K403 HydrophobicContact CG1-CD 3.91Å; V399-K403 HydrophobicContact CG1-CG 4.21Å; V399-K403 WeakPolarHBondContact O-CG 3.45Å; V399-K403 PolarHBondContact O-N 2.87Å; D400-K403 PolarHBondContact O-N 2.85Å
404N88.7Confident92.5Very high112 Ų11271.9 Ų71.960%0.59936%0.362SS*.THydrogen-bonded Turntrans-109.244.3-180-59.4-43.6000110.5D400 D406D400-N404 VanDerWaalsContact CG-ND2 3.31Å; D400-N404 WeakPolarHBondContact O-CB 3.41Å; D400-N404 PolarHBondContact O-N 3.4Å; D400-N404 PolarHBondContact OD1-ND2 3.3Å; D400-N404 PolarHBondContact OD2-ND2 2.91Å; N404-D406 PolarHBondContact O-N 3.35Å; N404-D406 VanDerWaalsContact O-N 3.09Å
405A90.6Very high92.5Very high39 Ų3972.2 Ų72.232%0.32236%0.362SS..  trans-54.9116.3-179.100000111.1I324 F348 E401 I407I324-A405 HydrophobicContact CD1-CB 3.8Å; F348-A405 HydrophobicContact CD1-CB 4.38Å; F348-A405 HydrophobicContact CD2-CB 4.35Å; F348-A405 HydrophobicContact CE1-CB 3.82Å; F348-A405 HydrophobicContact CE2-CB 3.79Å; F348-A405 HydrophobicContact CZ-CB 3.49Å; F348-A405 VanDerWaalsContact CZ-CB 3.49Å; E401-A405 WeakPolarHBondContact O-CA 3.3Å; E401-A405 PolarHBondContact O-N 3.37Å; A405-I407 PolarHBondContact O-N 3.08Å
406D90.7Very high92.5Very high68 Ų6872.7 Ų72.736%0.36436%0.364SS..  trans-65.9114.2179.21805.5000110.2N404 N408 R409N404-D406 PolarHBondContact O-N 3.35Å; N404-D406 VanDerWaalsContact O-N 3.09Å; D406-N408 PolarHBondContact O-N 3.48Å; D406-N408 WeakPolarHBondContact OD1-CB 3.36Å; D406-N408 PolarHBondContact OD1-N 3.02Å; D406-N408 PolarHBondContact OD1-ND2 2.86Å; D406-N408 VanDerWaalsContact OD1-ND2 3.16Å; D406-R409 HydrophobicContact CB-CB 4.44Å; D406-R409 HydrophobicContact CB-CG 3.96Å; D406-R409 WeakPolarHBondContact O-CB 3.49Å; D406-R409 PolarHBondContact O-N 3.28Å
407I91.5Very high92.3Very high91 Ų9169.2 Ų69.247%0.46735%0.353SS..G310 helixtrans-59.9-29.5179.9-164.7168.3000111.9A405 R409 R410 H431A405-I407 PolarHBondContact O-N 3.08Å; I407-R409 PolarHBondContact O-N 3.37Å; I407-R410 WeakPolarHBondContact O-CB 3.29Å; I407-R410 PolarHBondContact O-N 3.48Å; I407-H431 WeakPolarHBondContact O-CB 3.41Å
408N92Very high92Very high67 Ų6770.7 Ų70.736%0.35836%0.361SS..G310 helixtrans-68.4-16.4177.6-58.8-50000112.3D406 L430 D432D406-N408 PolarHBondContact O-N 3.48Å; D406-N408 WeakPolarHBondContact OD1-CB 3.36Å; D406-N408 PolarHBondContact OD1-N 3.02Å; D406-N408 PolarHBondContact OD1-ND2 2.86Å; D406-N408 VanDerWaalsContact OD1-ND2 3.16Å; N408-L430 WeakPolarHBondContact O-CB 3.37Å; N408-D432 HydrophobicContact CB-CB 4.19Å
409R94Very high91.9Very high116 Ų11669.3 Ų69.344%0.43836%0.355SS..G310 helixtrans-91.72.4173.1-59-57.6-175.9-177.72.9113.7L346 F348 D406 I407 V411L346-R409 WeakPolarHBondContact O-CB 3.27Å; F348-R409 HydrophobicContact CD2-CB 3.94Å; F348-R409 HydrophobicContact CE2-CB 4.01Å; F348-R409 PolarHBondContact N-O 3.42Å; F348-R409 VanDerWaalsContact N-O 3.08Å; D406-R409 HydrophobicContact CB-CB 4.44Å; D406-R409 HydrophobicContact CB-CG 3.96Å; D406-R409 WeakPolarHBondContact O-CB 3.49Å; D406-R409 PolarHBondContact O-N 3.28Å; I407-R409 PolarHBondContact O-N 3.37Å; R409-V411 PolarHBondContact O-N 3.25Å
410R96.2Very high91.5Very high101 Ų10171.3 Ų71.338%0.38136%0.357SS..EExtended strand (participates in β ladder)trans-71.3126.9173.1-169.3-177.577-173.98.2110F348 I407 N412 L430 H431F348-R410 CarbonylContact O-C 3.56Å; F348-R410 WeakPolarHBondContact O-CA 3.4Å; I407-R410 WeakPolarHBondContact O-CB 3.29Å; I407-R410 PolarHBondContact O-N 3.48Å; R410-N412 PolarHBondContact NE-OD1 3.13Å; R410-N412 VanDerWaalsContact NE-OD1 3.08Å; R410-N412 PolarHBondContact NH2-OD1 3.19Å; R410-N412 PolarHBondContact O-N 3.35Å; R410-L430 CarbonylContact O-C 3.58Å; R410-L430 WeakPolarHBondContact O-CA 3.4Å; R410-H431 HydrophobicContact CB-CB 4.29Å; R410-H431 PolarHBondContact NH2-ND1 3.35Å; R410-H431 PolarHBondContact O-N 2.77Å
411V97.2Very high91.3Very high1 Ų169.3 Ų69.31%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-77.8116.3172.6-174.20000107.7F347 F348 M349 E353 R409 T413 L414 L428 L430F347-V411 HydrophobicContact CB-CG2 4.03Å; F347-V411 HydrophobicContact CD1-CG2 4.29Å; F347-V411 HydrophobicContact CG-CG2 4.44Å; F348-V411 PolarHBondContact O-N 2.91Å; M349-V411 HydrophobicContact CE-CG2 4.22Å; M349-V411 HydrophobicContact CG-CB 4.08Å; M349-V411 HydrophobicContact CG-CG2 3.91Å; E353-V411 HydrophobicContact CB-CG1 4.3Å; E353-V411 HydrophobicContact CG-CB 4.45Å; E353-V411 HydrophobicContact CG-CG1 3.97Å; R409-V411 PolarHBondContact O-N 3.25Å; V411-T413 VanDerWaalsContact CG1-O 3.25Å; V411-T413 WeakPolarHBondContact CG1-O 3.43Å; V411-L414 HydrophobicContact CG1-CB 4.42Å; V411-L428 HydrophobicContact CG1-CB 4.34Å; V411-L428 HydrophobicContact CG1-CD2 3.78Å; V411-L428 HydrophobicContact CG2-CD2 4.24Å; V411-L430 HydrophobicContact CG2-CD2 4.09Å
412N95.6Very high91.2Very high57 Ų5772.6 Ų72.631%0.30538%0.376SS..EExtended strand (participates in β ladder)trans-90.8-32.6175.6-79.6-10.8000111.9R410 T429R410-N412 PolarHBondContact NE-OD1 3.13Å; R410-N412 VanDerWaalsContact NE-OD1 3.08Å; R410-N412 PolarHBondContact NH2-OD1 3.19Å; R410-N412 PolarHBondContact O-N 3.35Å; N412-T429 PolarHBondContact N-O 2.99Å
413T94.9Very high91.4Very high54 Ų5472.4 Ų72.433%0.33138%0.375SS..EExtended strand (participates in β ladder)trans-141.9149.8173.472.20000111V411 T429V411-T413 VanDerWaalsContact CG1-O 3.25Å; V411-T413 WeakPolarHBondContact CG1-O 3.43Å; T413-T429 PolarHBondContact N-O 3.4Å; T413-T429 PolarHBondContact O-N 3.19Å; T413-T429 WeakPolarHBondContact OG1-CB 3.26Å; T413-T429 PolarHBondContact OG1-OG1 3.38Å; T413-T429 VanDerWaalsContact OG1-OG1 3.07Å
414L95.9Very high91.7Very high4 Ų464.9 Ų64.92%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-133.3122.4175.7-179.4152.9000108.7M349 E353 D356 L357 V411 F426 L428M349-L414 HydrophobicContact CE-CD1 4.12Å; E353-L414 HydrophobicContact CB-CB 4.3Å; E353-L414 HydrophobicContact CG-CB 4.44Å; D356-L414 HydrophobicContact CB-CD2 4.05Å; L357-L414 HydrophobicContact CB-CD1 3.85Å; L357-L414 HydrophobicContact CD1-CD1 4.31Å; V411-L414 HydrophobicContact CG1-CB 4.42Å; L414-F426 HydrophobicContact CD2-CD1 3.56Å; L414-F426 HydrophobicContact CD2-CE1 4.03Å; L414-F426 HydrophobicContact CD2-CG 4.5Å; L414-F426 HydrophobicContact CG-CD1 4.17Å; L414-L428 HydrophobicContact CB-CD2 4.26Å; L414-L428 HydrophobicContact CD1-CD2 3.63Å; L414-L428 HydrophobicContact CG-CD2 3.96Å
415E95.4Very high91.9Very high86 Ų8660 Ų6040%0.40232%0.317SS..EExtended strand (participates in β ladder)trans-127.6130.9-178.9-69.2170.8-162.400110T417 F426 V427E415-T417 PolarHBondContact O-N 3.27Å; E415-F426 CarbonylContact O-C 3.4Å; E415-F426 VanDerWaalsContact O-CA 3.24Å; E415-F426 WeakPolarHBondContact O-CA 3.48Å; E415-V427 PolarHBondContact N-O 3.29Å; E415-V427 PolarHBondContact O-N 3.15Å
416L94.8Very high92.1Very high12 Ų1258.1 Ų58.16%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-79.8111170.6-177.969000108.3A360 D418 N419 L424 F426 W498 L502A360-L416 HydrophobicContact CB-CD2 4.12Å; L416-D418 WeakPolarHBondContact CD1-O 3.41Å; L416-N419 HydrophobicContact CD1-CB 4.5Å; L416-N419 HydrophobicContact CD2-CB 3.94Å; L416-N419 HydrophobicContact CG-CB 4.33Å; L416-L424 HydrophobicContact CD1-CB 3.98Å; L416-L424 HydrophobicContact CD1-CD2 4.06Å; L416-F426 HydrophobicContact CB-CD1 4.21Å; L416-F426 HydrophobicContact CB-CE1 4.16Å; L416-F426 HydrophobicContact CD1-CD1 3.96Å; L416-F426 HydrophobicContact CD1-CE1 3.66Å; L416-F426 HydrophobicContact CD1-CE2 4.34Å; L416-F426 HydrophobicContact CD1-CG 4.45Å; L416-F426 HydrophobicContact CD1-CZ 3.86Å; L416-F426 HydrophobicContact CG-CE1 4.45Å; L416-W498 HydrophobicContact CB-CD2 3.85Å; L416-W498 HydrophobicContact CB-CE3 3.5Å; L416-W498 HydrophobicContact CB-CG 4.3Å; L416-W498 HydrophobicContact CB-CZ3 3.95Å; L416-W498 HydrophobicContact CD2-CE3 4.17Å; L416-W498 WeakPolarHBondContact O-CB 3.34Å; L416-L502 HydrophobicContact CD2-CD1 4.12Å; L416-L502 HydrophobicContact CD2-CD2 3.88Å; L416-L502 HydrophobicContact CD2-CG 4.41Å
417T90.9Very high92.3Very high70 Ų7055.4 Ų55.443%0.42929%0.288SS..EExtended strand (participates in β ladder)trans-100.7-23.7-176.853.40000113.4E415 T425 V427E415-T417 PolarHBondContact O-N 3.27Å; T417-T425 PolarHBondContact N-O 3.21Å; T417-T425 PolarHBondContact OG1-O 3.36Å; T417-V427 HydrophobicContact CG2-CB 3.96Å; T417-V427 HydrophobicContact CG2-CG2 3.45Å; T417-V427 VanDerWaalsContact CG2-CG2 3.45Å
418D86.7Confident92.4Very high62 Ų6251 Ų5133%0.33227%0.265SS..EExtended strand (participates in β ladder)trans-141.7134.8173.7-172.96.3000109.8L416 Q420 T425L416-D418 WeakPolarHBondContact CD1-O 3.41Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.46Å; D418-Q420 PolarHBondContact OD1-N 3.29Å; D418-T425 PolarHBondContact N-O 2.78Å; D418-T425 PolarHBondContact O-N 3.41Å
419N88.8Confident92.5Very high54 Ų5449.1 Ų49.129%0.28926%0.256SS..  trans-134.915.317673-4.7000112.6R364 L416 L424R364-N419 PolarHBondContact NH2-O 3.21Å; L416-N419 HydrophobicContact CD1-CB 4.5Å; L416-N419 HydrophobicContact CD2-CB 3.94Å; L416-N419 HydrophobicContact CG-CB 4.33Å; N419-L424 HydrophobicContact CB-CD2 3.81Å
420Q79.4Confident92.5Very high139 Ų13943.7 Ų43.765%0.6524%0.236SC*.SBendtrans-84.7147.6179.2-59-59.5-39.500110.9D418D418-Q420 WeakPolarHBondContact OD1-CB 3.46Å; D418-Q420 PolarHBondContact OD1-N 3.29Å
421G85.7Confident92.4Very high61 Ų6142.3 Ų42.363%0.62923%0.233SC*.THydrogen-bonded Turntrans64.3-147.9-178.500000114R364 N423R364-G421 PolarHBondContact NH1-O 3.43Å; R364-G421 PolarHBondContact NH2-O 2.98Å; G421-N423 PolarHBondContact O-N 3.45Å
422E90.2Very high92Very high121 Ų12146.5 Ų46.557%0.56526%0.256SS*.THydrogen-bonded Turntrans-83-8.7-171.7-61.5-175.5173.900114.5R364 E442R364-E422 PolarHBondContact NH1-O 3.08Å; E422-E442 HydrophobicContact CB-CG 4.26Å; E422-E442 WeakPolarHBondContact O-CB 3.29Å; E422-E442 WeakPolarHBondContact O-CG 3.48Å; E422-E442 PolarHBondContact O-N 2.9Å
423N92.5Very high91.6Very high43 Ų4346.2 Ų46.223%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-112.5155.5-174.9-63.6-34.4000111.9R364 G421 V439 N441R364-N423 PolarHBondContact NH2-O 2.97Å; R364-N423 VanDerWaalsContact NH2-O 3.08Å; G421-N423 PolarHBondContact O-N 3.45Å; N423-V439 HydrophobicContact CB-CG1 3.94Å; N423-N441 WeakPolarHBondContact OD1-CA 3.5Å; N423-N441 WeakPolarHBondContact OD1-CB 3.28Å; N423-N441 PolarHBondContact OD1-ND2 3.37Å
424L94.1Very high91.1Very high4 Ų445.3 Ų45.32%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-114.3124.1163.5-62.8173.8000107.4L361 R364 L416 N419 F426 V439 V440 I445L361-L424 HydrophobicContact CD2-CD1 4.02Å; R364-L424 HydrophobicContact CB-CD1 4Å; R364-L424 HydrophobicContact CG-CD1 4.5Å; R364-L424 VanDerWaalsContact NH2-CD2 3.34Å; L416-L424 HydrophobicContact CD1-CB 3.98Å; L416-L424 HydrophobicContact CD1-CD2 4.06Å; N419-L424 HydrophobicContact CB-CD2 3.81Å; L424-F426 HydrophobicContact CB-CD2 4.44Å; L424-F426 HydrophobicContact CB-CE2 3.63Å; L424-F426 HydrophobicContact CB-CZ 4.02Å; L424-F426 HydrophobicContact CD1-CE2 4.39Å; L424-F426 HydrophobicContact CD1-CZ 4.2Å; L424-V439 WeakPolarHBondContact O-CA 3.35Å; L424-V440 PolarHBondContact N-O 2.78Å; L424-V440 PolarHBondContact O-N 3.25Å; L424-I445 HydrophobicContact CD1-CD1 3.75Å
425T93.2Very high90.8Very high10 Ų1051.1 Ų51.16%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-108.8120.7177.7-53.90000109.6T417 D418 E437 V439T417-T425 PolarHBondContact N-O 3.21Å; T417-T425 PolarHBondContact OG1-O 3.36Å; D418-T425 PolarHBondContact N-O 2.78Å; D418-T425 PolarHBondContact O-N 3.41Å; T425-E437 HydrophobicContact CG2-CB 4.22Å; T425-E437 HydrophobicContact CG2-CG 4.23Å; T425-V439 HydrophobicContact CG2-CG2 4.29Å
426F94.9Very high90.5Very high0 Ų047.4 Ų47.40%027%0.271CS..EExtended strand (participates in β ladder)trans-108.5131.9178.6-59.8-88000110.4L357 A360 L361 L414 E415 L416 L424 E437 L438 V440L357-F426 HydrophobicContact CD1-CD1 4.47Å; L357-F426 HydrophobicContact CD1-CD2 4.35Å; L357-F426 HydrophobicContact CD1-CE1 4.08Å; L357-F426 HydrophobicContact CD1-CE2 3.96Å; L357-F426 HydrophobicContact CD1-CZ 3.8Å; A360-F426 HydrophobicContact CB-CE1 3.43Å; A360-F426 VanDerWaalsContact CB-CE1 3.43Å; A360-F426 HydrophobicContact CB-CZ 3.57Å; L361-F426 HydrophobicContact CD2-CE2 4.47Å; L361-F426 HydrophobicContact CD2-CZ 4.36Å; L414-F426 HydrophobicContact CD2-CD1 3.56Å; L414-F426 HydrophobicContact CD2-CE1 4.03Å; L414-F426 HydrophobicContact CD2-CG 4.5Å; L414-F426 HydrophobicContact CG-CD1 4.17Å; E415-F426 CarbonylContact O-C 3.4Å; E415-F426 VanDerWaalsContact O-CA 3.24Å; E415-F426 WeakPolarHBondContact O-CA 3.48Å; L416-F426 HydrophobicContact CB-CD1 4.21Å; L416-F426 HydrophobicContact CB-CE1 4.16Å; L416-F426 HydrophobicContact CD1-CD1 3.96Å; L416-F426 HydrophobicContact CD1-CE1 3.66Å; L416-F426 HydrophobicContact CD1-CE2 4.34Å; L416-F426 HydrophobicContact CD1-CG 4.45Å; L416-F426 HydrophobicContact CD1-CZ 3.86Å; L416-F426 HydrophobicContact CG-CE1 4.45Å; L424-F426 HydrophobicContact CB-CD2 4.44Å; L424-F426 HydrophobicContact CB-CE2 3.63Å; L424-F426 HydrophobicContact CB-CZ 4.02Å; L424-F426 HydrophobicContact CD1-CE2 4.39Å; L424-F426 HydrophobicContact CD1-CZ 4.2Å; F426-E437 CarbonylContact O-C 3.47Å; F426-E437 VanDerWaalsContact O-CA 3.24Å; F426-E437 WeakPolarHBondContact O-CA 3.48Å; F426-L438 HydrophobicContact CB-CB 4.29Å; F426-L438 PolarHBondContact N-O 3.02Å; F426-L438 PolarHBondContact O-N 3.02Å; F426-V440 HydrophobicContact CD2-CG2 4.05Å; F426-V440 HydrophobicContact CE2-CB 4.26Å; F426-V440 HydrophobicContact CE2-CG2 3.82Å
427V93.8Very high90.3Very high10 Ų1047.7 Ų47.76%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-90.1118.2165172.70000108.7E415 T417 K435 E437E415-V427 PolarHBondContact N-O 3.29Å; E415-V427 PolarHBondContact O-N 3.15Å; T417-V427 HydrophobicContact CG2-CB 3.96Å; T417-V427 HydrophobicContact CG2-CG2 3.45Å; T417-V427 VanDerWaalsContact CG2-CG2 3.45Å; V427-K435 HydrophobicContact CG1-CB 4.36Å; V427-K435 HydrophobicContact CG1-CD 4.07Å; V427-K435 HydrophobicContact CG1-CG 4.43Å; V427-E437 HydrophobicContact CG2-CG 3.94Å
428L94.7Very high90.4Very high0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-97.1117.7173.1-57.6169.5000108.3F347 M349 V411 L414 L430 K435 C436 L438F347-L428 HydrophobicContact CD2-CD1 4.48Å; F347-L428 HydrophobicContact CE1-CD1 4.47Å; F347-L428 HydrophobicContact CE2-CD1 4.4Å; F347-L428 HydrophobicContact CZ-CD1 4.41Å; M349-L428 HydrophobicContact CE-CD2 4.04Å; V411-L428 HydrophobicContact CG1-CB 4.34Å; V411-L428 HydrophobicContact CG1-CD2 3.78Å; V411-L428 HydrophobicContact CG2-CD2 4.24Å; L414-L428 HydrophobicContact CB-CD2 4.26Å; L414-L428 HydrophobicContact CD1-CD2 3.63Å; L414-L428 HydrophobicContact CG-CD2 3.96Å; L428-L430 HydrophobicContact CB-CD2 4.39Å; L428-K435 VanDerWaalsContact O-CA 3.31Å; L428-K435 WeakPolarHBondContact O-CA 3.36Å; L428-C436 PolarHBondContact N-O 2.96Å; L428-C436 PolarHBondContact O-N 3.49Å; L428-L438 HydrophobicContact CD1-CB 3.86Å; L428-L438 HydrophobicContact CD1-CD2 4.47Å; L428-L438 HydrophobicContact CG-CB 4.33Å
429T94Very high90.7Very high26 Ų2641.8 Ų41.816%0.1624%0.238CC..EExtended strand (participates in β ladder)trans-93.8117.7168.7-520000108.9N412 T413 K435N412-T429 PolarHBondContact N-O 2.99Å; T413-T429 PolarHBondContact N-O 3.4Å; T413-T429 PolarHBondContact O-N 3.19Å; T413-T429 WeakPolarHBondContact OG1-CB 3.26Å; T413-T429 PolarHBondContact OG1-OG1 3.38Å; T413-T429 VanDerWaalsContact OG1-OG1 3.07Å; T429-K435 HydrophobicContact CG2-CG 4.35Å
430L94Very high91Very high3 Ų339.2 Ų39.22%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-86.2168.7-177.3-55.6-170.4000111.8F347 N408 R410 V411 L428 D432 G433 S434F347-L430 HydrophobicContact CD1-CD2 3.91Å; F347-L430 HydrophobicContact CE1-CD1 4.13Å; F347-L430 HydrophobicContact CE1-CD2 3.96Å; N408-L430 WeakPolarHBondContact O-CB 3.37Å; R410-L430 CarbonylContact O-C 3.58Å; R410-L430 WeakPolarHBondContact O-CA 3.4Å; V411-L430 HydrophobicContact CG2-CD2 4.09Å; L428-L430 HydrophobicContact CB-CD2 4.39Å; L430-D432 VanDerWaalsContact C-N 3.28Å; L430-D432 PolarHBondContact O-N 3.48Å; L430-G433 PolarHBondContact O-N 2.89Å; L430-S434 PolarHBondContact N-O 3.45Å
431H93.6Very high91.7Very high72 Ų7234 Ų3433%0.33320%0.2SC..THydrogen-bonded Turntrans-62.2-33.2-176.7-173.473.6000114.1I407 R410 G433I407-H431 WeakPolarHBondContact O-CB 3.41Å; R410-H431 HydrophobicContact CB-CB 4.29Å; R410-H431 PolarHBondContact NH2-ND1 3.35Å; R410-H431 PolarHBondContact O-N 2.77Å; H431-G433 PolarHBondContact O-N 3.47Å
432D88.7Confident92.2Very high88 Ų8831.8 Ų31.847%0.47117%0.174SC..THydrogen-bonded Turntrans-76.31.9175.867.4-4.6000113.4N408 L430 S434N408-D432 HydrophobicContact CB-CB 4.19Å; L430-D432 VanDerWaalsContact C-N 3.28Å; L430-D432 PolarHBondContact O-N 3.48Å; D432-S434 PolarHBondContact O-N 3.21Å; D432-S434 WeakPolarHBondContact OD1-CB 3.5Å; D432-S434 PolarHBondContact OD1-N 3.26Å; D432-S434 PolarHBondContact OD1-OG 3.43Å; D432-S434 PolarHBondContact OD2-OG 3.27Å
433G86.7Confident92.5Very high51 Ų5127.3 Ų27.353%0.52615%0.154SC..SBendtrans81.8-3.5-176.500000114.1L430 H431L430-G433 PolarHBondContact O-N 2.89Å; H431-G433 PolarHBondContact O-N 3.47Å
434S86Confident92.7Very high35 Ų3526.3 Ų26.325%0.24515%0.148CC..  trans-67.1150.4172.871.60000110.7L430 D432L430-S434 PolarHBondContact N-O 3.45Å; D432-S434 PolarHBondContact O-N 3.21Å; D432-S434 WeakPolarHBondContact OD1-CB 3.5Å; D432-S434 PolarHBondContact OD1-N 3.26Å; D432-S434 PolarHBondContact OD1-OG 3.43Å; D432-S434 PolarHBondContact OD2-OG 3.27Å
435K88.5Confident92.8Very high126 Ų12626.1 Ų26.155%0.54815%0.147SC..EExtended strand (participates in β ladder)trans-116.7137.3177.2-66-173.1175.6-1690109.5M312 V427 L428 T429M312-K435 WeakPolarHBondContact CE-O 3.32Å; V427-K435 HydrophobicContact CG1-CB 4.36Å; V427-K435 HydrophobicContact CG1-CD 4.07Å; V427-K435 HydrophobicContact CG1-CG 4.43Å; L428-K435 VanDerWaalsContact O-CA 3.31Å; L428-K435 WeakPolarHBondContact O-CA 3.36Å; T429-K435 HydrophobicContact CG2-CG 4.35Å
436C88.4Confident92.9Very high9 Ų927.1 Ų27.16%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-131.3152170.3570000110.2I314 L428I314-C436 HydrophobicContact CD1-CB 4.23Å; L428-C436 PolarHBondContact N-O 2.96Å; L428-C436 PolarHBondContact O-N 3.49Å
437E90.6Very high92.9Very high17 Ų1728.7 Ų28.78%0.07916%0.158CC..EExtended strand (participates in β ladder)trans-100.6127.6176.6-76.9-176.4171.200109.4R309 A313 I314 T425 F426 V427R309-E437 WeakPolarHBondContact CD-OE1 3.4Å; R309-E437 HydrophobicContact CG-CG 4.33Å; R309-E437 VanDerWaalsContact CG-OE1 3.23Å; R309-E437 WeakPolarHBondContact CG-OE1 3.3Å; R309-E437 IonicContact CZ-OE1 3.89Å; R309-E437 IonicContact NE-OE1 2.73Å; R309-E437 PolarHBondContact NE-OE1 3.49Å; R309-E437 IonicContact NH1-OE1 2.77Å; A313-E437 CarbonylContact C-O 3.39Å; A313-E437 HydrophobicContact CB-CB 4.47Å; I314-E437 WeakPolarHBondContact CB-O 3.45Å; I314-E437 PolarHBondContact N-O 3.09Å; T425-E437 HydrophobicContact CG2-CB 4.22Å; T425-E437 HydrophobicContact CG2-CG 4.23Å; F426-E437 CarbonylContact O-C 3.47Å; F426-E437 VanDerWaalsContact O-CA 3.24Å; F426-E437 WeakPolarHBondContact O-CA 3.48Å; V427-E437 HydrophobicContact CG2-CG 3.94Å
438L93.5Very high93.1Very high0 Ų028.3 Ų28.30%016%0.156CC..EExtended strand (participates in β ladder)trans-103.5116.5170.9171.663.2000108.2I314 I316 L335 I337 F426 L428 V440I314-L438 HydrophobicContact CG2-CD1 4.19Å; I316-L438 HydrophobicContact CD1-CD1 4.12Å; I316-L438 HydrophobicContact CG1-CD1 4Å; L335-L438 HydrophobicContact CD2-CD2 4.49Å; I337-L438 HydrophobicContact CD1-CD1 3.53Å; F426-L438 HydrophobicContact CB-CB 4.29Å; F426-L438 PolarHBondContact N-O 3.02Å; F426-L438 PolarHBondContact O-N 3.02Å; L428-L438 HydrophobicContact CD1-CB 3.86Å; L428-L438 HydrophobicContact CD1-CD2 4.47Å; L428-L438 HydrophobicContact CG-CB 4.33Å; L438-V440 HydrophobicContact CD1-CG2 4.47Å; L438-V440 HydrophobicContact CD2-CG2 4.26Å; L438-V440 HydrophobicContact CG-CG2 3.99Å
439V92.5Very high93Very high8 Ų829 Ų295%0.04816%0.162CC..EExtended strand (participates in β ladder)trans-99.4120.9176.2-175.50000108.9I314 N423 L424 T425I314-V439 PolarHBondContact O-N 2.8Å; N423-V439 HydrophobicContact CB-CG1 3.94Å; L424-V439 WeakPolarHBondContact O-CA 3.35Å; T425-V439 HydrophobicContact CG2-CG2 4.29Å
440V95.4Very high93Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-115.3113.7176.7-172.30000108.7I316 L361 L424 F426 L438 Q444 I445 L448I316-V440 HydrophobicContact CD1-CG1 4.41Å; I316-V440 HydrophobicContact CD1-CG2 3.96Å; L361-V440 HydrophobicContact CD2-CG1 4.03Å; L424-V440 PolarHBondContact N-O 2.78Å; L424-V440 PolarHBondContact O-N 3.25Å; F426-V440 HydrophobicContact CD2-CG2 4.05Å; F426-V440 HydrophobicContact CE2-CB 4.26Å; F426-V440 HydrophobicContact CE2-CG2 3.82Å; L438-V440 HydrophobicContact CD1-CG2 4.47Å; L438-V440 HydrophobicContact CD2-CG2 4.26Å; L438-V440 HydrophobicContact CG-CG2 3.99Å; V440-Q444 HydrophobicContact CG1-CB 4.42Å; V440-I445 HydrophobicContact CG1-CG1 3.92Å; V440-L448 HydrophobicContact CG1-CD2 4.01Å; V440-L448 HydrophobicContact CG2-CD2 4.06Å
441N94.9Very high93Very high29 Ų2935.1 Ų35.116%0.15519%0.185CC..EExtended strand (participates in β ladder)trans-74.6145.6173-178.8-88.5000110.4N423 L443 Q444N423-N441 WeakPolarHBondContact OD1-CA 3.5Å; N423-N441 WeakPolarHBondContact OD1-CB 3.28Å; N423-N441 PolarHBondContact OD1-ND2 3.37Å; N441-L443 PolarHBondContact O-N 3.05Å; N441-L443 VanDerWaalsContact O-N 3.09Å; N441-L443 VanDerWaalsContact OD1-CB 3.23Å; N441-L443 WeakPolarHBondContact OD1-CB 3.36Å; N441-L443 VanDerWaalsContact OD1-CG 3.29Å; N441-L443 WeakPolarHBondContact OD1-CG 3.37Å; N441-L443 PolarHBondContact OD1-N 3.44Å; N441-Q444 HydrophobicContact CB-CG 4.05Å; N441-Q444 WeakPolarHBondContact O-CA 3.34Å; N441-Q444 VanDerWaalsContact O-CB 3.3Å; N441-Q444 WeakPolarHBondContact O-CB 3.39Å; N441-Q444 PolarHBondContact O-N 3.28Å
442E95.9Very high93.1Very high15 Ų1531.7 Ų31.77%0.0717%0.169CC..THydrogen-bonded Turntrans-58.1-25.2-178.263.1179.7-132.600114.8R364 K368 Y379 E422 Q444 I445R364-E442 HydrophobicContact CG-CB 4.09Å; R364-E442 IonicContact NH1-OE2 3.85Å; R364-E442 PolarHBondContact NH1-OE2 3.44Å; K368-E442 VanDerWaalsContact CE-OE1 3.26Å; K368-E442 WeakPolarHBondContact CE-OE1 3.41Å; K368-E442 WeakPolarHBondContact CE-OE2 3.44Å; K368-E442 IonicContact NZ-OE1 2.74Å; K368-E442 PolarHBondContact NZ-OE1 2.78Å; K368-E442 IonicContact NZ-OE2 3.62Å; K368-E442 PolarHBondContact NZ-OE2 3.33Å; Y379-E442 HydrophobicContact CE2-CG 4.28Å; Y379-E442 PolarHBondContact OH-O 3.1Å; E422-E442 HydrophobicContact CB-CG 4.26Å; E422-E442 WeakPolarHBondContact O-CB 3.29Å; E422-E442 WeakPolarHBondContact O-CG 3.48Å; E422-E442 PolarHBondContact O-N 2.9Å; E442-Q444 VanDerWaalsContact C-N 3.25Å; E442-Q444 PolarHBondContact O-N 3.27Å; E442-I445 HydrophobicContact CB-CD1 4.35Å
443L96.4Very high93.2Very high27 Ų2730.9 Ų30.914%0.14116%0.164CC..THydrogen-bonded Turntrans-76.3-12.8175.5-56.4179.3000112.8Y379 A382 R383 V386 N441Y379-L443 HydrophobicContact CD2-CD2 3.7Å; Y379-L443 HydrophobicContact CE2-CD2 3.61Å; A382-L443 HydrophobicContact CB-CD1 4.02Å; A382-L443 HydrophobicContact CB-CD2 4.02Å; R383-L443 HydrophobicContact CB-CD2 4.06Å; R383-L443 WeakPolarHBondContact CG-O 3.33Å; V386-L443 HydrophobicContact CB-CB 4.05Å; V386-L443 HydrophobicContact CG1-CB 4.19Å; V386-L443 HydrophobicContact CG2-CB 3.93Å; V386-L443 HydrophobicContact CG2-CD1 3.83Å; N441-L443 PolarHBondContact O-N 3.05Å; N441-L443 VanDerWaalsContact O-N 3.09Å; N441-L443 VanDerWaalsContact OD1-CB 3.23Å; N441-L443 WeakPolarHBondContact OD1-CB 3.36Å; N441-L443 VanDerWaalsContact OD1-CG 3.29Å; N441-L443 WeakPolarHBondContact OD1-CG 3.37Å; N441-L443 PolarHBondContact OD1-N 3.44Å
444Q96.7Very high93.4Very high22 Ų2234 Ų3410%0.10316%0.164CC..THydrogen-bonded Turntrans-98.7-17.8-178.1-56.5178.2-42.600112.8I316 V386 M390 V440 N441 E442 E446 M447 L448I316-Q444 PolarHBondContact O-NE2 2.97Å; V386-Q444 HydrophobicContact CG1-CG 3.75Å; M390-Q444 HydrophobicContact CE-CB 4.19Å; M390-Q444 HydrophobicContact SD-CB 3.74Å; M390-Q444 HydrophobicContact SD-CG 3.69Å; V440-Q444 HydrophobicContact CG1-CB 4.42Å; N441-Q444 HydrophobicContact CB-CG 4.05Å; N441-Q444 WeakPolarHBondContact O-CA 3.34Å; N441-Q444 VanDerWaalsContact O-CB 3.3Å; N441-Q444 WeakPolarHBondContact O-CB 3.39Å; N441-Q444 PolarHBondContact O-N 3.28Å; E442-Q444 VanDerWaalsContact C-N 3.25Å; E442-Q444 PolarHBondContact O-N 3.27Å; Q444-E446 VanDerWaalsContact C-N 3.34Å; Q444-E446 PolarHBondContact O-N 3.45Å; Q444-M447 PolarHBondContact O-N 3.16Å; Q444-M447 VanDerWaalsContact O-N 3.17Å; Q444-L448 PolarHBondContact O-N 3.43Å
445I97Very high93.8Very high0 Ų032.7 Ų32.70%016%0.155CC..Hα-helixtrans-57.1-45.8-169.7-64.8-176.3000111.9L361 R364 L365 L424 V440 E442 M447 L448 A449L361-I445 HydrophobicContact CB-CG2 3.73Å; L361-I445 HydrophobicContact CD1-CG2 4.49Å; L361-I445 HydrophobicContact CD2-CB 4.45Å; L361-I445 HydrophobicContact CD2-CD1 4.24Å; L361-I445 HydrophobicContact CD2-CG1 3.96Å; L361-I445 HydrophobicContact CD2-CG2 3.98Å; L361-I445 HydrophobicContact CG-CG2 4.24Å; R364-I445 HydrophobicContact CB-CD1 3.61Å; R364-I445 HydrophobicContact CG-CD1 3.46Å; R364-I445 VanDerWaalsContact CG-CD1 3.46Å; L365-I445 HydrophobicContact CD1-CG2 3.84Å; L365-I445 HydrophobicContact CD2-CB 4.32Å; L365-I445 HydrophobicContact CD2-CG2 3.9Å; L365-I445 HydrophobicContact CG-CG2 3.64Å; L424-I445 HydrophobicContact CD1-CD1 3.75Å; V440-I445 HydrophobicContact CG1-CG1 3.92Å; E442-I445 HydrophobicContact CB-CD1 4.35Å; I445-M447 VanDerWaalsContact C-N 3.34Å; I445-M447 PolarHBondContact O-N 3.15Å; I445-L448 PolarHBondContact O-N 3.28Å; I445-A449 WeakPolarHBondContact O-CB 3.39Å; I445-A449 PolarHBondContact O-N 2.89Å
446E94.8Very high93.9Very high32 Ų3226.8 Ų26.815%0.1513%0.13CC..Hα-helixtrans-62.5-40.7-178.5-175.9173.7151.700112.2R383 I387 Q444 R450R383-E446 WeakPolarHBondContact CD-OE2 3.2Å; R383-E446 IonicContact CZ-OE2 3.33Å; R383-E446 IonicContact NE-OE2 2.62Å; R383-E446 PolarHBondContact NE-OE2 3.18Å; R383-E446 IonicContact NH1-OE1 3.93Å; R383-E446 IonicContact NH1-OE2 2.7Å; R383-E446 PolarHBondContact NH1-OE2 3.14Å; I387-E446 HydrophobicContact CD1-CB 4.32Å; I387-E446 HydrophobicContact CD1-CG 4.47Å; Q444-E446 VanDerWaalsContact C-N 3.34Å; Q444-E446 PolarHBondContact O-N 3.45Å; E446-R450 VanDerWaalsContact O-CB 3.27Å; E446-R450 WeakPolarHBondContact O-CB 3.41Å; E446-R450 WeakPolarHBondContact O-CG 3.33Å; E446-R450 PolarHBondContact O-N 3.44Å; E446-R450 IonicContact OE1-CZ 2.78Å; E446-R450 IonicContact OE1-NE 3.16Å; E446-R450 IonicContact OE1-NH1 3.94Å; E446-R450 PolarHBondContact OE1-NH1 2.85Å; E446-R450 IonicContact OE1-NH2 2.89Å; E446-R450 PolarHBondContact OE1-NH2 2.72Å
447M95.3Very high94Very high33 Ų3330.1 Ų30.116%0.16315%0.147CC..Hα-helixtrans-66.8-42.8176.6-178.661-174.800111.4V319 I387 M390 I394 Q444 I445 R450 A451V319-M447 HydrophobicContact CG1-CG 4.31Å; I387-M447 HydrophobicContact CG1-CB 4.16Å; I387-M447 HydrophobicContact CG2-SD 4.33Å; M390-M447 HydrophobicContact CB-CG 4.33Å; M390-M447 HydrophobicContact CE-CB 3.98Å; M390-M447 HydrophobicContact CE-CG 3.76Å; M390-M447 HydrophobicContact SD-CB 4.08Å; M390-M447 HydrophobicContact SD-CG 4.19Å; I394-M447 HydrophobicContact CD1-CE 4.3Å; Q444-M447 PolarHBondContact O-N 3.16Å; Q444-M447 VanDerWaalsContact O-N 3.17Å; I445-M447 VanDerWaalsContact C-N 3.34Å; I445-M447 PolarHBondContact O-N 3.15Å; M447-R450 PolarHBondContact O-N 2.88Å; M447-A451 WeakPolarHBondContact O-CB 3.49Å; M447-A451 PolarHBondContact O-N 2.77Å
448L96.7Very high94Very high1 Ų134.4 Ų34.41%0.00517%0.17CC..Hα-helixtrans-62.5-48.7178179.158.9000111.5I316 V319 L335 L361 V440 Q444 I445 R450 A451 I452I316-L448 HydrophobicContact CD1-CD2 4.28Å; V319-L448 HydrophobicContact CG2-CD1 3.89Å; L335-L448 HydrophobicContact CD1-CD1 3.82Å; L361-L448 HydrophobicContact CD1-CD2 3.76Å; L361-L448 HydrophobicContact CD1-CG 4.04Å; L361-L448 HydrophobicContact CD2-CD2 4.35Å; V440-L448 HydrophobicContact CG1-CD2 4.01Å; V440-L448 HydrophobicContact CG2-CD2 4.06Å; Q444-L448 PolarHBondContact O-N 3.43Å; I445-L448 PolarHBondContact O-N 3.28Å; L448-R450 PolarHBondContact O-N 3.34Å; L448-A451 PolarHBondContact O-N 2.73Å; L448-I452 HydrophobicContact CD1-CD1 4.2Å; L448-I452 HydrophobicContact CG-CD1 4.2Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 2.62Å; L448-I452 VanDerWaalsContact O-N 3.11Å
449A93.9Very high93.8Very high15 Ų1535.3 Ų35.312%0.12418%0.178CC..Hα-helixtrans-61.9-42.8177.400000111.8I445 I452 I453I445-A449 WeakPolarHBondContact O-CB 3.39Å; I445-A449 PolarHBondContact O-N 2.89Å; A449-I452 PolarHBondContact O-N 3.22Å; A449-I453 VanDerWaalsContact O-CG1 3.31Å; A449-I453 WeakPolarHBondContact O-CG1 3.39Å; A449-I453 PolarHBondContact O-N 3Å
450R92.8Very high93.7Very high145 Ų14543.1 Ų43.155%0.54721%0.214SC..Hα-helixtrans-61.1-44.8175.4-80.1178.3174.9169.74.9112.4E446 M447 L448 I452 I453 H454E446-R450 VanDerWaalsContact O-CB 3.27Å; E446-R450 WeakPolarHBondContact O-CB 3.41Å; E446-R450 WeakPolarHBondContact O-CG 3.33Å; E446-R450 PolarHBondContact O-N 3.44Å; E446-R450 IonicContact OE1-CZ 2.78Å; E446-R450 IonicContact OE1-NE 3.16Å; E446-R450 IonicContact OE1-NH1 3.94Å; E446-R450 PolarHBondContact OE1-NH1 2.85Å; E446-R450 IonicContact OE1-NH2 2.89Å; E446-R450 PolarHBondContact OE1-NH2 2.72Å; M447-R450 PolarHBondContact O-N 2.88Å; L448-R450 PolarHBondContact O-N 3.34Å; R450-I452 PolarHBondContact O-N 3.29Å; R450-I453 PolarHBondContact O-N 3.03Å; R450-H454 WeakPolarHBondContact O-CB 3.34Å; R450-H454 PolarHBondContact O-N 3.46Å
451A94.9Very high93.3Very high13 Ų1344 Ų4411%0.10722%0.218CC..Hα-helixtrans-57.9-50.417800000110.7V319 T321 M447 L448 I453 H454 A455V319-A451 HydrophobicContact CG1-CB 4.29Å; T321-A451 HydrophobicContact CG2-CB 4.07Å; T321-A451 PolarHBondContact OG1-O 2.99Å; M447-A451 WeakPolarHBondContact O-CB 3.49Å; M447-A451 PolarHBondContact O-N 2.77Å; L448-A451 PolarHBondContact O-N 2.73Å; A451-I453 PolarHBondContact O-N 2.74Å; A451-H454 PolarHBondContact O-N 3.12Å; A451-A455 PolarHBondContact O-N 3.31Å
452I94.9Very high92.7Very high0 Ų051.9 Ų51.90%025%0.246CC..Hα-helixtrans-55.5-54.1177.7-69.2167.8000111.5T321 L333 L354 L357 L358 L448 A449 R450 H454 A455 I456T321-I452 HydrophobicContact CG2-CG1 4.12Å; L333-I452 HydrophobicContact CD2-CG1 3.9Å; L333-I452 HydrophobicContact CD2-CG2 4.34Å; L354-I452 HydrophobicContact CD1-CD1 4.06Å; L354-I452 HydrophobicContact CD1-CG1 4.42Å; L354-I452 HydrophobicContact CD1-CG2 3.7Å; L354-I452 HydrophobicContact CD2-CG2 4.36Å; L354-I452 HydrophobicContact CG-CG2 4.46Å; L357-I452 HydrophobicContact CD2-CD1 3.99Å; L358-I452 HydrophobicContact CD1-CG2 4.26Å; L358-I452 HydrophobicContact CD2-CD1 4.13Å; L358-I452 HydrophobicContact CD2-CG2 4.42Å; L448-I452 HydrophobicContact CD1-CD1 4.2Å; L448-I452 HydrophobicContact CG-CD1 4.2Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 2.62Å; L448-I452 VanDerWaalsContact O-N 3.11Å; A449-I452 PolarHBondContact O-N 3.22Å; R450-I452 PolarHBondContact O-N 3.29Å; I452-H454 VanDerWaalsContact C-N 3.29Å; I452-H454 PolarHBondContact O-N 3.43Å; I452-A455 PolarHBondContact O-N 3.11Å; I452-I456 HydrophobicContact CG2-CD1 3.99Å; I452-I456 WeakPolarHBondContact O-CG1 3.44Å; I452-I456 PolarHBondContact O-N 3.4Å; I452-I456 VanDerWaalsContact O-N 3.11Å
453I90.4Very high92.2Very high71 Ų7157.9 Ų57.936%0.36427%0.274SS..Hα-helixtrans-62.5-41-177.8-67.9167.1000110.4A449 R450 A451 A455 I456 N457A449-I453 VanDerWaalsContact O-CG1 3.31Å; A449-I453 WeakPolarHBondContact O-CG1 3.39Å; A449-I453 PolarHBondContact O-N 3Å; R450-I453 PolarHBondContact O-N 3.03Å; A451-I453 PolarHBondContact O-N 2.74Å; I453-A455 PolarHBondContact O-N 2.95Å; I453-I456 PolarHBondContact O-N 3.33Å; I453-N457 WeakPolarHBondContact CG2-ND2 3.34Å; I453-N457 WeakPolarHBondContact O-CB 3.11Å; I453-N457 VanDerWaalsContact O-CG 3.29Å; I453-N457 PolarHBondContact O-N 2.97Å; I453-N457 PolarHBondContact O-ND2 2.94Å
454H92Very high91.7Very high116 Ų11657.8 Ų57.854%0.53727%0.273SS..Hα-helixtrans-61.9-43177.6-172.870000111.7R450 A451 I452 I456 N457 N458R450-H454 WeakPolarHBondContact O-CB 3.34Å; R450-H454 PolarHBondContact O-N 3.46Å; A451-H454 PolarHBondContact O-N 3.12Å; I452-H454 VanDerWaalsContact C-N 3.29Å; I452-H454 PolarHBondContact O-N 3.43Å; H454-I456 PolarHBondContact O-N 3.35Å; H454-N457 PolarHBondContact O-N 3.07Å; H454-N458 PolarHBondContact CD2-ND2 3.49Å; H454-N458 VanDerWaalsContact CD2-ND2 3.26Å; H454-N458 PolarHBondContact NE2-ND2 3.3Å; H454-N458 WeakPolarHBondContact O-CB 3.44Å; H454-N458 PolarHBondContact O-N 3.21Å
455A93.2Very high91.1Very high7 Ų757.5 Ų57.56%0.05828%0.275CS..Hα-helixtrans-62.9-42.9176.900000112.6T321 V323 L333 A451 I452 I453 N458 A459T321-A455 WeakPolarHBondContact OG1-CB 3.49Å; V323-A455 HydrophobicContact CG2-CB 4.19Å; V323-A455 WeakPolarHBondContact CG2-O 3.26Å; L333-A455 HydrophobicContact CD1-CB 4.16Å; A451-A455 PolarHBondContact O-N 3.31Å; I452-A455 PolarHBondContact O-N 3.11Å; I453-A455 PolarHBondContact O-N 2.95Å; A455-N458 PolarHBondContact O-N 3.44Å; A455-A459 WeakPolarHBondContact O-CB 3.23Å; A455-A459 PolarHBondContact O-N 3.45Å; A455-A459 VanDerWaalsContact O-N 3.08Å
456I91.9Very high90.4Very high3 Ų362.6 Ų62.62%0.01530%0.302CS..Hα-helixtrans-64.4-43.9177.6-62.3166.4000110.9L354 I452 I453 H454 A459 E460 M461 L464 A465 I468L354-I456 HydrophobicContact CD2-CD1 4.11Å; I452-I456 HydrophobicContact CG2-CD1 3.99Å; I452-I456 WeakPolarHBondContact O-CG1 3.44Å; I452-I456 PolarHBondContact O-N 3.4Å; I452-I456 VanDerWaalsContact O-N 3.11Å; I453-I456 PolarHBondContact O-N 3.33Å; H454-I456 PolarHBondContact O-N 3.35Å; I456-A459 PolarHBondContact O-N 3.16Å; I456-E460 PolarHBondContact O-N 3.16Å; I456-M461 HydrophobicContact CG2-CB 3.94Å; I456-M461 PolarHBondContact O-N 2.93Å; I456-L464 HydrophobicContact CG2-CD2 4.34Å; I456-A465 HydrophobicContact CG2-CB 3.87Å; I456-I468 HydrophobicContact CD1-CD1 4.16Å
457N89.4Confident89.8Confident78 Ų7869.3 Ų69.342%0.41733%0.325SS..Hα-helixtrans-65.9-41.5178.8-73.8-23.5000111.9I453 H454 A459 E460I453-N457 WeakPolarHBondContact CG2-ND2 3.34Å; I453-N457 WeakPolarHBondContact O-CB 3.11Å; I453-N457 VanDerWaalsContact O-CG 3.29Å; I453-N457 PolarHBondContact O-N 2.97Å; I453-N457 PolarHBondContact O-ND2 2.94Å; H454-N457 PolarHBondContact O-N 3.07Å; N457-A459 PolarHBondContact O-N 3.11Å; N457-E460 PolarHBondContact O-N 3.07Å
458N90.6Very high89.3Confident107 Ų10767.9 Ų67.957%0.57232%0.319SS*.Hα-helixtrans-64.6-26.2175.3-74.3-5.4000112.6H454 A455 E460H454-N458 PolarHBondContact CD2-ND2 3.49Å; H454-N458 VanDerWaalsContact CD2-ND2 3.26Å; H454-N458 PolarHBondContact NE2-ND2 3.3Å; H454-N458 WeakPolarHBondContact O-CB 3.44Å; H454-N458 PolarHBondContact O-N 3.21Å; A455-N458 PolarHBondContact O-N 3.44Å; N458-E460 PolarHBondContact O-N 3.3Å
459A89.9Confident88.6Confident19 Ų1970.7 Ų70.716%0.15734%0.336CS..THydrogen-bonded Turntrans-82.26.2173.400000113.6V323 A455 I456 N457 M461V323-A459 HydrophobicContact CB-CB 3.7Å; V323-A459 HydrophobicContact CG1-CB 3.79Å; V323-A459 HydrophobicContact CG2-CB 3.85Å; A455-A459 WeakPolarHBondContact O-CB 3.23Å; A455-A459 PolarHBondContact O-N 3.45Å; A455-A459 VanDerWaalsContact O-N 3.08Å; I456-A459 PolarHBondContact O-N 3.16Å; N457-A459 PolarHBondContact O-N 3.11Å; A459-M461 HydrophobicContact CB-CG 4.04Å; A459-M461 HydrophobicContact CB-SD 4.46Å; A459-M461 WeakPolarHBondContact O-CG 3.32Å; A459-M461 PolarHBondContact O-N 3.43Å
460E90.3Very high88.1Confident172 Ų17271.3 Ų71.380%0.80434%0.339SS*.THydrogen-bonded Turntrans58.924.7-177.8-58.8-17817400113.9I456 N457 N458 R462I456-E460 PolarHBondContact O-N 3.16Å; N457-E460 PolarHBondContact O-N 3.07Å; N458-E460 PolarHBondContact O-N 3.3Å; E460-R462 VanDerWaalsContact C-N 3.34Å; E460-R462 PolarHBondContact O-N 3.46Å; E460-R462 VanDerWaalsContact O-N 3.17Å
461M87.3Confident87.6Confident18 Ų1864.9 Ų64.99%0.08932%0.315CS..  trans-92.856.4-176.3-63.6-166.2168.400112.7V323 R325 F330 I456 A459 E463 L464 A465V323-M461 HydrophobicContact CG1-CE 4.09Å; V323-M461 HydrophobicContact CG1-SD 3.98Å; R325-M461 HydrophobicContact CB-CE 3.26Å; R325-M461 HydrophobicContact CG-CE 4.07Å; F330-M461 HydrophobicContact CB-CE 4.05Å; F330-M461 HydrophobicContact CB-SD 3.66Å; F330-M461 HydrophobicContact CD2-SD 3.62Å; F330-M461 HydrophobicContact CG-SD 4.12Å; I456-M461 HydrophobicContact CG2-CB 3.94Å; I456-M461 PolarHBondContact O-N 2.93Å; A459-M461 HydrophobicContact CB-CG 4.04Å; A459-M461 HydrophobicContact CB-SD 4.46Å; A459-M461 WeakPolarHBondContact O-CG 3.32Å; A459-M461 PolarHBondContact O-N 3.43Å; M461-E463 PolarHBondContact O-N 3.32Å; M461-L464 HydrophobicContact CB-CB 4Å; M461-L464 HydrophobicContact CB-CD2 4.42Å; M461-L464 WeakPolarHBondContact O-CB 3.44Å; M461-L464 PolarHBondContact O-N 2.98Å; M461-L464 VanDerWaalsContact O-N 3.12Å; M461-L464 HydrophobicContact SD-CD2 4.02Å; M461-A465 PolarHBondContact O-N 2.98Å
462R82.9Confident87.4Confident195 Ų19565.2 Ų65.274%0.73632%0.315SS*.Hα-helixtrans-59.1-42.7-175.7-68.6-176.3-179.9166.91.4113.5E460 L464 A465 L466E460-R462 VanDerWaalsContact C-N 3.34Å; E460-R462 PolarHBondContact O-N 3.46Å; E460-R462 VanDerWaalsContact O-N 3.17Å; R462-L464 VanDerWaalsContact C-N 3.27Å; R462-L464 PolarHBondContact O-N 3.48Å; R462-A465 PolarHBondContact O-N 3.47Å; R462-L466 WeakPolarHBondContact O-CG 3.36Å; R462-L466 PolarHBondContact O-N 3.35Å
463E84.1Confident87.1Confident142 Ų14267.4 Ų67.466%0.66433%0.327SS*.Hα-helixtrans-60.1-37.8177-73.1-61.4140.400112.3M461 R467M461-E463 PolarHBondContact O-N 3.32Å; E463-R467 WeakPolarHBondContact O-CB 3.47Å; E463-R467 PolarHBondContact O-N 3.17Å
464L85.5Confident87.1Confident24 Ų2464 Ų6413%0.12631%0.31CS..Hα-helixtrans-68-45.7176.1-179.465.9000111.1F330 V351 I456 M461 R462 L466 R467 I468F330-L464 HydrophobicContact CB-CD2 3.75Å; F330-L464 HydrophobicContact CD1-CD2 4.2Å; F330-L464 HydrophobicContact CD2-CD2 3.25Å; F330-L464 HydrophobicContact CE2-CD2 3.76Å; F330-L464 HydrophobicContact CG-CD2 3.47Å; F330-L464 VanDerWaalsContact CG-CD2 3.47Å; F330-L464 HydrophobicContact CZ-CD2 4.38Å; V351-L464 HydrophobicContact CB-CD1 4.45Å; V351-L464 HydrophobicContact CG1-CD1 3.83Å; V351-L464 HydrophobicContact CG2-CD1 3.71Å; I456-L464 HydrophobicContact CG2-CD2 4.34Å; M461-L464 HydrophobicContact CB-CB 4Å; M461-L464 HydrophobicContact CB-CD2 4.42Å; M461-L464 WeakPolarHBondContact O-CB 3.44Å; M461-L464 PolarHBondContact O-N 2.98Å; M461-L464 VanDerWaalsContact O-N 3.12Å; M461-L464 HydrophobicContact SD-CD2 4.02Å; R462-L464 VanDerWaalsContact C-N 3.27Å; R462-L464 PolarHBondContact O-N 3.48Å; L464-L466 VanDerWaalsContact C-N 3.3Å; L464-L466 PolarHBondContact O-N 2.79Å; L464-R467 PolarHBondContact O-N 3.13Å; L464-I468 HydrophobicContact CD1-CD1 3.86Å; L464-I468 HydrophobicContact CD1-CG1 4.09Å; L464-I468 HydrophobicContact CD2-CD1 4.31Å; L464-I468 HydrophobicContact CG-CD1 3.75Å; L464-I468 HydrophobicContact CG-CG1 4.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.33Å; L464-I468 PolarHBondContact O-N 3.21Å
465A84.8Confident87.1Confident16 Ų1658.7 Ų58.713%0.13229%0.285CS..Hα-helixtrans-57.1-46.2177.300000111.1I456 M461 R462 R467 I468 T469I456-A465 HydrophobicContact CG2-CB 3.87Å; M461-A465 PolarHBondContact O-N 2.98Å; R462-A465 PolarHBondContact O-N 3.47Å; A465-R467 PolarHBondContact O-N 3.35Å; A465-I468 PolarHBondContact O-N 3.19Å; A465-T469 WeakPolarHBondContact O-CB 3.49Å; A465-T469 VanDerWaalsContact O-CG2 3.29Å; A465-T469 WeakPolarHBondContact O-CG2 3.2Å; A465-T469 PolarHBondContact O-N 3.02Å; A465-T469 PolarHBondContact O-OG1 3.38Å
466L83.2Confident87.1Confident108 Ų10858.6 Ų58.657%0.56528%0.284SS*.Hα-helixtrans-60.4-45.1175.7-70.8169.5000111.9R462 L464 I468 T469 S470R462-L466 WeakPolarHBondContact O-CG 3.36Å; R462-L466 PolarHBondContact O-N 3.35Å; L464-L466 VanDerWaalsContact C-N 3.3Å; L464-L466 PolarHBondContact O-N 2.79Å; L466-I468 PolarHBondContact O-N 3.43Å; L466-T469 PolarHBondContact O-OG1 2.92Å; L466-S470 VanDerWaalsContact O-CB 3.26Å; L466-S470 WeakPolarHBondContact O-CB 3.44Å; L466-S470 PolarHBondContact O-N 2.98Å; L466-S470 PolarHBondContact O-OG 3.32Å
467R82.1Confident87.2Confident172 Ų17258.8 Ų58.865%0.64929%0.285SS*.Hα-helixtrans-66.9-34.7179.8-171.3-178.8-64.5-161.70.2113.6E463 L464 A465 S470E463-R467 WeakPolarHBondContact O-CB 3.47Å; E463-R467 PolarHBondContact O-N 3.17Å; L464-R467 PolarHBondContact O-N 3.13Å; A465-R467 PolarHBondContact O-N 3.35Å; R467-S470 PolarHBondContact O-OG 2.98Å
468I84.3Confident87.4Confident4 Ų456.4 Ų56.42%0.02127%0.27CS..Hα-helixtrans-73.4-49.5177.7-70.1173.9000109.6V351 L354 L358 I456 L464 A465 L466 S470 L471 L472V351-I468 HydrophobicContact CG1-CD1 4.25Å; V351-I468 HydrophobicContact CG1-CG1 4.07Å; L354-I468 HydrophobicContact CD2-CD1 3.77Å; L354-I468 HydrophobicContact CG-CD1 4.34Å; L358-I468 HydrophobicContact CD1-CG2 3.36Å; I456-I468 HydrophobicContact CD1-CD1 4.16Å; L464-I468 HydrophobicContact CD1-CD1 3.86Å; L464-I468 HydrophobicContact CD1-CG1 4.09Å; L464-I468 HydrophobicContact CD2-CD1 4.31Å; L464-I468 HydrophobicContact CG-CD1 3.75Å; L464-I468 HydrophobicContact CG-CG1 4.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.33Å; L464-I468 PolarHBondContact O-N 3.21Å; A465-I468 PolarHBondContact O-N 3.19Å; L466-I468 PolarHBondContact O-N 3.43Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 3.22Å; I468-L471 PolarHBondContact O-N 3.2Å; I468-L472 WeakPolarHBondContact O-CG 3.39Å
469T82.9Confident87.6Confident60 Ų6051.3 Ų51.337%0.36824%0.243SC..Hα-helixtrans-65.5-28.8-177.954.10000113.1A465 L466 L471 L472A465-T469 WeakPolarHBondContact O-CB 3.49Å; A465-T469 VanDerWaalsContact O-CG2 3.29Å; A465-T469 WeakPolarHBondContact O-CG2 3.2Å; A465-T469 PolarHBondContact O-N 3.02Å; A465-T469 PolarHBondContact O-OG1 3.38Å; L466-T469 PolarHBondContact O-OG1 2.92Å; T469-L471 PolarHBondContact O-N 3.18Å; T469-L472 PolarHBondContact O-N 3.46Å
470S83.2Confident87.8Confident27 Ų2750.4 Ų50.419%0.18924%0.236CC..THydrogen-bonded Turntrans-65.6-17.6-178.264.80000115L466 R467 I468 F474 R544L466-S470 VanDerWaalsContact O-CB 3.26Å; L466-S470 WeakPolarHBondContact O-CB 3.44Å; L466-S470 PolarHBondContact O-N 2.98Å; L466-S470 PolarHBondContact O-OG 3.32Å; R467-S470 PolarHBondContact O-OG 2.98Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 3.22Å; S470-F474 WeakPolarHBondContact O-CE1 3.31Å; S470-R544 PolarHBondContact O-NE 3Å
471L82.4Confident88Confident10 Ų1043.4 Ų43.45%0.05220%0.204CC..THydrogen-bonded Turntrans-115.512.4-174.5-64.1176.3000113.5I468 T469 F474 F548I468-L471 PolarHBondContact O-N 3.2Å; T469-L471 PolarHBondContact O-N 3.18Å; L471-F474 HydrophobicContact CD2-CE1 4.02Å; L471-F474 HydrophobicContact CD2-CE2 3.82Å; L471-F474 HydrophobicContact CD2-CZ 3.42Å; L471-F474 VanDerWaalsContact CD2-CZ 3.42Å; L471-F548 HydrophobicContact CD1-CD2 3.58Å; L471-F548 HydrophobicContact CD1-CE2 3.55Å; L471-F548 HydrophobicContact CD2-CB 4.28Å; L471-F548 HydrophobicContact CD2-CD2 3.54Å; L471-F548 HydrophobicContact CD2-CE2 4.04Å; L471-F548 HydrophobicContact CD2-CG 3.93Å; L471-F548 HydrophobicContact CG-CD2 4.14Å; L471-F548 HydrophobicContact CG-CE2 4.45Å
472L89.9Confident88.1Confident21 Ų2142.9 Ų42.911%0.1120%0.202CC..SBendtrans-81.6-22.9-176.5-59.5-176.2000113.3L358 I359 E362 I468 T469 R530L358-L472 HydrophobicContact CB-CD1 4.13Å; L358-L472 HydrophobicContact CB-CD2 3.58Å; I359-L472 HydrophobicContact CG1-CD2 3.87Å; E362-L472 HydrophobicContact CB-CB 4.43Å; E362-L472 HydrophobicContact CG-CB 4.32Å; I468-L472 WeakPolarHBondContact O-CG 3.39Å; T469-L472 PolarHBondContact O-N 3.46Å; L472-R530 PolarHBondContact O-NH1 3.23Å; L472-R530 PolarHBondContact O-NH2 3.33Å
473D88.4Confident88.3Confident45 Ų4537.1 Ų37.124%0.24118%0.183CC..SBendtrans-107.6-1.9-173.158.43000114.6R544D473-R544 IonicContact OD1-CZ 2.98Å; D473-R544 IonicContact OD1-NH2 3.06Å; D473-R544 PolarHBondContact OD1-NH2 2.98Å; D473-R544 IonicContact OD2-CZ 2.79Å; D473-R544 IonicContact OD2-NH1 3.61Å; D473-R544 PolarHBondContact OD2-NH1 2.93Å; D473-R544 IonicContact OD2-NH2 2.93Å; D473-R544 PolarHBondContact OD2-NH2 3.24Å
474F91.6Very high88Confident1 Ų136.5 Ų36.50%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-145.7157.216972.8-87.3000113.3S470 L471 P476 V527 K528 T529 I541 R544 M545S470-F474 WeakPolarHBondContact O-CE1 3.31Å; L471-F474 HydrophobicContact CD2-CE1 4.02Å; L471-F474 HydrophobicContact CD2-CE2 3.82Å; L471-F474 HydrophobicContact CD2-CZ 3.42Å; L471-F474 VanDerWaalsContact CD2-CZ 3.42Å; F474-P476 HydrophobicContact CE2-CB 4.47Å; F474-P476 HydrophobicContact CE2-CG 4.46Å; F474-V527 HydrophobicContact CD2-CB 4.18Å; F474-V527 HydrophobicContact CD2-CG1 4.01Å; F474-V527 HydrophobicContact CE2-CG1 4.46Å; F474-K528 CarbonylContact C-O 3.53Å; F474-K528 VanDerWaalsContact CA-O 3.23Å; F474-K528 WeakPolarHBondContact CA-O 3.25Å; F474-K528 WeakPolarHBondContact CB-O 3.13Å; F474-T529 HydrophobicContact CB-CG2 3.99Å; F474-I541 HydrophobicContact CB-CD1 4.2Å; F474-I541 HydrophobicContact CB-CG1 4.39Å; F474-I541 HydrophobicContact CB-CG2 3.92Å; F474-I541 HydrophobicContact CD1-CB 4.22Å; F474-I541 HydrophobicContact CD1-CG1 3.9Å; F474-I541 HydrophobicContact CD1-CG2 3.65Å; F474-I541 HydrophobicContact CD2-CG2 4.25Å; F474-I541 HydrophobicContact CE1-CG2 4.13Å; F474-I541 HydrophobicContact CG-CG1 4.47Å; F474-I541 HydrophobicContact CG-CG2 3.69Å; F474-R544 HydrophobicContact CE1-CB 4.25Å; F474-M545 HydrophobicContact CE2-SD 3.66Å; F474-M545 HydrophobicContact CZ-SD 4.27Å
475L92.2Very high87.8Confident3 Ų340.3 Ų40.32%0.01620%0.201CC..EExtended strand (participates in β ladder)trans-119107.2178.5-169.768.4000110L477 Q495 K499 F503 V527 K528L475-L477 HydrophobicContact CD2-CD2 4.47Å; L475-Q495 HydrophobicContact CD1-CB 4.26Å; L475-Q495 HydrophobicContact CD1-CG 3.65Å; L475-Q495 HydrophobicContact CD2-CB 4.01Å; L475-Q495 HydrophobicContact CD2-CG 3.92Å; L475-Q495 HydrophobicContact CG-CB 4.37Å; L475-Q495 HydrophobicContact CG-CG 3.74Å; L475-K499 HydrophobicContact CD1-CB 4.27Å; L475-K499 HydrophobicContact CD1-CD 4.33Å; L475-K499 HydrophobicContact CD2-CB 4.08Å; L475-F503 HydrophobicContact CB-CD2 3.72Å; L475-F503 HydrophobicContact CB-CE2 3.77Å; L475-F503 HydrophobicContact CB-CG 4.21Å; L475-F503 HydrophobicContact CB-CZ 4.26Å; L475-F503 HydrophobicContact CD1-CE2 4.32Å; L475-F503 HydrophobicContact CD2-CD2 4.07Å; L475-F503 HydrophobicContact CD2-CE2 4.38Å; L475-F503 HydrophobicContact CG-CD2 4.41Å; L475-F503 HydrophobicContact CG-CE2 4.39Å; L475-V527 CarbonylContact O-C 3.39Å; L475-V527 VanDerWaalsContact O-CA 3.24Å; L475-V527 WeakPolarHBondContact O-CA 3.39Å; L475-K528 HydrophobicContact CB-CB 4.18Å; L475-K528 PolarHBondContact N-O 2.82Å; L475-K528 PolarHBondContact O-N 3.43Å
476P92.3Very high87.4Confident6 Ų640.9 Ų40.94%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-68.3136.3177.626.6-31000111F474 Y493 Q495 M545 F548F474-P476 HydrophobicContact CE2-CB 4.47Å; F474-P476 HydrophobicContact CE2-CG 4.46Å; P476-Y493 HydrophobicContact CB-CD2 4.19Å; P476-Y493 HydrophobicContact CB-CG 4.35Å; P476-Y493 VanDerWaalsContact O-CB 3.32Å; P476-Y493 WeakPolarHBondContact O-CB 3.4Å; P476-Q495 PolarHBondContact O-NE2 3.23Å; P476-M545 HydrophobicContact CB-CE 3.84Å; P476-M545 HydrophobicContact CB-SD 4.18Å; P476-F548 HydrophobicContact CB-CD1 4.16Å; P476-F548 HydrophobicContact CB-CE1 3.65Å; P476-F548 HydrophobicContact CB-CZ 4.35Å; P476-F548 HydrophobicContact CG-CD1 4.07Å; P476-F548 HydrophobicContact CG-CE1 3.36Å; P476-F548 HydrophobicContact CG-CE2 4.42Å; P476-F548 HydrophobicContact CG-CZ 3.56Å
477L93.1Very high87.5Confident6 Ų640.3 Ų40.33%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-116.9-50178.8-59.2-175.9000112.1L475 Y493 H500 Y506 V526 K528L475-L477 HydrophobicContact CD2-CD2 4.47Å; L477-Y493 PolarHBondContact O-N 3.22Å; L477-H500 VanDerWaalsContact CD2-CE1 3.43Å; L477-H500 WeakPolarHBondContact CD2-CE1 3.4Å; L477-Y506 HydrophobicContact CD1-CD1 3.79Å; L477-Y506 HydrophobicContact CD1-CE1 3.43Å; L477-Y506 VanDerWaalsContact CD1-CE1 3.43Å; L477-V526 WeakPolarHBondContact CB-O 3.39Å; L477-V526 HydrophobicContact CD1-CG1 4.38Å; L477-V526 PolarHBondContact N-O 3.08Å; L477-K528 HydrophobicContact CD1-CD 4.47Å; L477-K528 HydrophobicContact CD1-CG 3.8Å; L477-K528 HydrophobicContact CD2-CG 4.45Å; L477-K528 HydrophobicContact CG-CG 4.26Å
478Y95Very high87.8Confident29 Ų2934 Ų3411%0.11418%0.184CC..EExtended strand (participates in β ladder)trans-140.2142.1-178.1-52-72.6000109.8Y490 D491 T492 A525 V526 Q577 C580 L581Y478-Y490 HydrophobicContact CD1-CD2 4.26Å; Y478-D491 VanDerWaalsContact CA-O 3.3Å; Y478-D491 WeakPolarHBondContact CA-O 3.38Å; Y478-T492 HydrophobicContact CD1-CG2 4.04Å; Y478-T492 HydrophobicContact CE1-CG2 3.59Å; Y478-A525 CarbonylContact O-C 3.54Å; Y478-A525 WeakPolarHBondContact O-CA 3.45Å; Y478-A525 WeakPolarHBondContact O-CB 3.46Å; Y478-V526 HydrophobicContact CD2-CB 3.99Å; Y478-V526 HydrophobicContact CD2-CG2 4.27Å; Y478-V526 PolarHBondContact N-O 3.13Å; Y478-V526 VanDerWaalsContact N-O 3.15Å; Y478-V526 PolarHBondContact O-N 2.99Å; Y478-Q577 HydrophobicContact CE1-CB 4.43Å; Y478-Q577 HydrophobicContact CE1-CG 3.82Å; Y478-Q577 WeakPolarHBondContact OH-CA 3.23Å; Y478-Q577 WeakPolarHBondContact OH-CB 3.45Å; Y478-C580 HydrophobicContact CD2-CB 3.87Å; Y478-C580 HydrophobicContact CE2-CB 3.69Å; Y478-L581 HydrophobicContact CG-CD2 4.46Å
479D94.5Very high88.1Confident0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-119.6152.8158.665.838000109.7Y490 D491 Y493 G524 S549 R551 L552D479-Y490 CarbonylContact O-C 3.6Å; D479-Y490 WeakPolarHBondContact O-CA 3.43Å; D479-Y490 WeakPolarHBondContact O-CB 3.37Å; D479-D491 PolarHBondContact N-O 3.09Å; D479-D491 PolarHBondContact O-N 2.82Å; D479-D491 WeakPolarHBondContact OD1-CB 3.47Å; D479-Y493 HydrophobicContact CB-CE2 4.23Å; D479-Y493 WeakPolarHBondContact OD2-CE2 2.92Å; D479-Y493 PolarHBondContact OD2-OH 2.75Å; D479-G524 CarbonylContact C-O 3.58Å; D479-G524 WeakPolarHBondContact CA-O 3.49Å; D479-S549 VanDerWaalsContact CG-OG 3.3Å; D479-S549 WeakPolarHBondContact OD2-CB 3.08Å; D479-S549 PolarHBondContact OD2-OG 3.31Å; D479-R551 WeakPolarHBondContact OD1-CD 3.24Å; D479-R551 IonicContact OD1-NE 3.48Å; D479-R551 PolarHBondContact OD1-NE 3.32Å; D479-L552 HydrophobicContact CB-CD1 4.44Å; D479-L552 HydrophobicContact CB-CG 4.46Å
480V94.5Very high88.6Confident0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-144.8137.9-164.5-171.40000111.3L488 E489 S523 G524 L581 L584V480-L488 HydrophobicContact CG1-CB 3.66Å; V480-L488 HydrophobicContact CG1-CD1 4.17Å; V480-L488 HydrophobicContact CG1-CD2 3.73Å; V480-L488 HydrophobicContact CG1-CG 4.03Å; V480-E489 CarbonylContact C-O 3.52Å; V480-E489 VanDerWaalsContact CA-O 3.26Å; V480-E489 WeakPolarHBondContact CA-O 3.3Å; V480-E489 WeakPolarHBondContact CG1-O 3.43Å; V480-S523 CarbonylContact O-C 3.57Å; V480-S523 WeakPolarHBondContact O-CA 3.49Å; V480-S523 WeakPolarHBondContact O-CB 3.43Å; V480-G524 PolarHBondContact N-O 3.05Å; V480-G524 PolarHBondContact O-N 3.43Å; V480-L581 HydrophobicContact CG2-CD2 3.85Å; V480-L584 HydrophobicContact CB-CD1 4.41Å; V480-L584 HydrophobicContact CG2-CD1 3.7Å
481D93.6Very high89.1Confident25 Ų2541.7 Ų41.713%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-106.6130.1159-80.4-41.2000110.2E489 S523 R551 K554D481-E489 PolarHBondContact N-O 3.39Å; D481-E489 PolarHBondContact O-N 2.84Å; D481-S523 WeakPolarHBondContact OD1-CB 3.32Å; D481-S523 PolarHBondContact OD1-OG 2.91Å; D481-R551 WeakPolarHBondContact OD2-CD 3.43Å; D481-R551 WeakPolarHBondContact OD2-CG 3.38Å; D481-R551 IonicContact OD2-CZ 2.71Å; D481-R551 IonicContact OD2-NH1 3.71Å; D481-R551 PolarHBondContact OD2-NH1 2.85Å; D481-K554 WeakPolarHBondContact OD1-CE 3.47Å; D481-K554 IonicContact OD1-NZ 3.74Å; D481-K554 PolarHBondContact OD1-NZ 2.98Å; D481-K554 IonicContact OD2-NZ 3.53Å; D481-K554 PolarHBondContact OD2-NZ 3.44Å
482C90.1Very high89.6Confident7 Ų744.9 Ų44.95%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-88.8113.8177.7-58.20000109.7L488 F522C482-L488 HydrophobicContact CB-CD2 4.11Å; C482-F522 HydrophobicContact CB-CB 3.76Å; C482-F522 WeakPolarHBondContact CB-O 3.42Å; C482-F522 PolarHBondContact N-O 3.32Å; C482-F522 PolarHBondContact SG-O 3.37Å
483Q87.5Confident89.6Confident74 Ų7446.1 Ų46.135%0.34624%0.236SC..  trans-77.5161.2177.3-62.5-167.7-9.500111.9N485 G486 N487 E489 R588Q483-N485 VanDerWaalsContact C-N 3.3Å; Q483-N485 VanDerWaalsContact CB-OD1 3.24Å; Q483-N485 WeakPolarHBondContact CB-OD1 3.43Å; Q483-N485 PolarHBondContact O-N 3.49Å; Q483-N485 PolarHBondContact OE1-ND2 3.24Å; Q483-G486 PolarHBondContact O-N 3.27Å; Q483-G486 VanDerWaalsContact O-N 3.15Å; Q483-N487 WeakPolarHBondContact CB-O 3.39Å; Q483-N487 PolarHBondContact N-O 3.47Å; Q483-E489 PolarHBondContact NE2-OE2 3.21Å; Q483-R588 PolarHBondContact O-NH1 3.45Å; Q483-R588 PolarHBondContact O-NH2 2.66Å; Q483-R588 VanDerWaalsContact O-NH2 3.14Å
484E77.6Confident89.7Confident129 Ų12949.5 Ų49.560%0.60326%0.263SS*.THydrogen-bonded Turntrans-66.1-31.6-178.5-62.7-170.4-179.100113.1G486 K519E484-G486 PolarHBondContact O-N 3.09Å; E484-K519 WeakPolarHBondContact OE1-CE 3.22Å; E484-K519 IonicContact OE1-NZ 2.72Å; E484-K519 PolarHBondContact OE1-NZ 2.86Å; E484-K519 IonicContact OE2-NZ 3.02Å; E484-K519 PolarHBondContact OE2-NZ 3.28Å
485N81.5Confident89.5Confident104 Ų10451 Ų5156%0.55627%0.27SS*.THydrogen-bonded Turntrans-73.30.1175.4619.9000113.5Q483 N487Q483-N485 VanDerWaalsContact C-N 3.3Å; Q483-N485 VanDerWaalsContact CB-OD1 3.24Å; Q483-N485 WeakPolarHBondContact CB-OD1 3.43Å; Q483-N485 PolarHBondContact O-N 3.49Å; Q483-N485 PolarHBondContact OE1-ND2 3.24Å; N485-N487 PolarHBondContact ND2-ND2 2.62Å; N485-N487 VanDerWaalsContact OD1-CB 3.26Å; N485-N487 WeakPolarHBondContact OD1-CB 3.48Å; N485-N487 PolarHBondContact OD1-N 3.13Å
486G76.8Confident89.4Confident27 Ų2753.4 Ų53.428%0.27829%0.285SS..SBendtrans90.5-10.3-177.500000114.7Q483 E484Q483-G486 PolarHBondContact O-N 3.27Å; Q483-G486 VanDerWaalsContact O-N 3.15Å; E484-G486 PolarHBondContact O-N 3.09Å
487N84.4Confident89.3Confident97 Ų9760.4 Ų60.452%0.51932%0.318SS..  trans-71156.6177.1-66.3-20.2000111.6Q483 N485Q483-N487 WeakPolarHBondContact CB-O 3.39Å; Q483-N487 PolarHBondContact N-O 3.47Å; N485-N487 PolarHBondContact ND2-ND2 2.62Å; N485-N487 VanDerWaalsContact OD1-CB 3.26Å; N485-N487 WeakPolarHBondContact OD1-CB 3.48Å; N485-N487 PolarHBondContact OD1-N 3.13Å
488L87.7Confident89.3Confident38 Ų3861.6 Ų61.620%0.19932%0.322CS..EExtended strand (participates in β ladder)trans-111.2124.5175-62.7-176.9000108.8V480 C482 L581 H585V480-L488 HydrophobicContact CG1-CB 3.66Å; V480-L488 HydrophobicContact CG1-CD1 4.17Å; V480-L488 HydrophobicContact CG1-CD2 3.73Å; V480-L488 HydrophobicContact CG1-CG 4.03Å; C482-L488 HydrophobicContact CB-CD2 4.11Å; L488-L581 HydrophobicContact CD1-CB 4.27Å; L488-H585 HydrophobicContact CD1-CB 4.42Å
489E92.1Very high89.2Confident89 Ų8960.5 Ų60.542%0.41632%0.318SS..EExtended strand (participates in β ladder)trans-97125.3166.7-168-168.2136.400107.6V480 D481 Q483 R551V480-E489 CarbonylContact C-O 3.52Å; V480-E489 VanDerWaalsContact CA-O 3.26Å; V480-E489 WeakPolarHBondContact CA-O 3.3Å; V480-E489 WeakPolarHBondContact CG1-O 3.43Å; D481-E489 PolarHBondContact N-O 3.39Å; D481-E489 PolarHBondContact O-N 2.84Å; Q483-E489 PolarHBondContact NE2-OE2 3.21Å; E489-R551 IonicContact OE1-CZ 3.26Å; E489-R551 IonicContact OE1-NH1 3.76Å; E489-R551 PolarHBondContact OE1-NH1 2.82Å; E489-R551 IonicContact OE1-NH2 3.12Å; E489-R551 PolarHBondContact OE1-NH2 2.83Å; E489-R551 VanDerWaalsContact OE1-NH2 3.1Å
490Y93.1Very high89Confident90 Ų9062.6 Ų62.635%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-139.7146.9-170.867.3-82.9000112.7Y478 D479 Q577 L581Y478-Y490 HydrophobicContact CD1-CD2 4.26Å; D479-Y490 CarbonylContact O-C 3.6Å; D479-Y490 WeakPolarHBondContact O-CA 3.43Å; D479-Y490 WeakPolarHBondContact O-CB 3.37Å; Y490-Q577 VanDerWaalsContact CZ-NE2 3.27Å; Y490-Q577 PolarHBondContact OH-NE2 3.15Å; Y490-L581 HydrophobicContact CD1-CD1 3.87Å; Y490-L581 HydrophobicContact CD2-CD1 4.28Å; Y490-L581 HydrophobicContact CE1-CD1 3.87Å; Y490-L581 HydrophobicContact CE2-CD1 4.28Å; Y490-L581 HydrophobicContact CG-CD1 4.11Å; Y490-L581 HydrophobicContact CG-CD2 4.29Å
491D92.5Very high88.8Confident75 Ų7566.8 Ų66.840%0.40135%0.349SS..EExtended strand (participates in β ladder)trans-103.5148.8165.5-63-61.1000110Y478 D479 R551Y478-D491 VanDerWaalsContact CA-O 3.3Å; Y478-D491 WeakPolarHBondContact CA-O 3.38Å; D479-D491 PolarHBondContact N-O 3.09Å; D479-D491 PolarHBondContact O-N 2.82Å; D479-D491 WeakPolarHBondContact OD1-CB 3.47Å; D491-R551 IonicContact OD1-NH2 2.85Å; D491-R551 IonicContact OD2-CZ 3.8Å; D491-R551 IonicContact OD2-NE 2.91Å; D491-R551 PolarHBondContact OD2-NE 2.78Å; D491-R551 VanDerWaalsContact OD2-NE 3.08Å; D491-R551 IonicContact OD2-NH2 3.1Å; D491-R551 PolarHBondContact OD2-NH2 3.07Å
492T93Very high88.7Confident76 Ų7665.9 Ų65.947%0.46635%0.345SS..EExtended strand (participates in β ladder)trans-113132.4-179.8-58.80000110.7Y478Y478-T492 HydrophobicContact CD1-CG2 4.04Å; Y478-T492 HydrophobicContact CE1-CG2 3.59Å
493Y91.1Very high88.8Confident48 Ų4865.5 Ų65.519%0.18834%0.342CS..  trans-103.599.4173-60.8-82.6000108.6P476 L477 D479 F548P476-Y493 HydrophobicContact CB-CD2 4.19Å; P476-Y493 HydrophobicContact CB-CG 4.35Å; P476-Y493 VanDerWaalsContact O-CB 3.32Å; P476-Y493 WeakPolarHBondContact O-CB 3.4Å; L477-Y493 PolarHBondContact O-N 3.22Å; D479-Y493 HydrophobicContact CB-CE2 4.23Å; D479-Y493 WeakPolarHBondContact OD2-CE2 2.92Å; D479-Y493 PolarHBondContact OD2-OH 2.75Å; Y493-F548 HydrophobicContact CD1-CE1 4.01Å; Y493-F548 HydrophobicContact CD1-CZ 4.15Å; Y493-F548 AromaticContact CE1-CE1 3.61Å; Y493-F548 HydrophobicContact CE1-CE1 3.61Å; Y493-F548 AromaticContact CE1-CZ 3.97Å; Y493-F548 HydrophobicContact CE1-CZ 3.97Å; Y493-F548 HydrophobicContact CE2-CE1 4.35Å; Y493-F548 AromaticContact CZ-CE1 3.81Å
494S88.8Confident88.8Confident115 Ų11564.3 Ų64.380%0.80434%0.338SS*.  trans-69.9132.4176.3-173.30000110.4
495Q89.1Confident89.4Confident34 Ų3458.8 Ų58.816%0.15931%0.312CS..  trans-129.5144.7-179.5-56.7-71.8-8.200110.1L475 P476L475-Q495 HydrophobicContact CD1-CB 4.26Å; L475-Q495 HydrophobicContact CD1-CG 3.65Å; L475-Q495 HydrophobicContact CD2-CB 4.01Å; L475-Q495 HydrophobicContact CD2-CG 3.92Å; L475-Q495 HydrophobicContact CG-CB 4.37Å; L475-Q495 HydrophobicContact CG-CG 3.74Å; P476-Q495 PolarHBondContact O-NE2 3.23Å
496P90.3Very high89.8Confident52 Ų5254.3 Ų54.334%0.33829%0.288SS..  trans-58.4144.3171-22.832.8000111.8W498 K499 H500P496-W498 VanDerWaalsContact C-N 3.26Å; P496-W498 VanDerWaalsContact CB-CD1 3.5Å; P496-W498 HydrophobicContact CB-CG 4.32Å; P496-W498 PolarHBondContact O-N 3.37Å; P496-K499 HydrophobicContact CG-CD 4.4Å; P496-K499 WeakPolarHBondContact O-CB 3.43Å; P496-K499 PolarHBondContact O-N 2.79Å; P496-H500 PolarHBondContact O-CD2 3.49Å; P496-H500 PolarHBondContact O-N 3.11Å
497E89.6Confident90.5Very high154 Ų15453 Ų5372%0.7228%0.275SS*.Hα-helixtrans-54.4-41.4-179.6-174.1179.1-177.300112.5K499 H500 N501E497-K499 PolarHBondContact O-N 2.74Å; E497-H500 WeakPolarHBondContact O-CA 3.5Å; E497-H500 WeakPolarHBondContact O-CB 3.48Å; E497-H500 PolarHBondContact O-N 3.26Å; E497-N501 PolarHBondContact O-N 3.44Å; E497-N501 VanDerWaalsContact O-N 3.13Å
498W92.1Very high90.9Very high31 Ų3148.4 Ų48.412%0.11725%0.25CC..Hα-helixtrans-59.3-32.8178.771.9-101000112.6D356 A360 L416 P496 N501 L502D356-W498 HydrophobicContact CB-CH2 4.03Å; D356-W498 HydrophobicContact CB-CZ2 4.07Å; D356-W498 WeakPolarHBondContact O-CH2 3.47Å; A360-W498 HydrophobicContact CB-CZ3 4.13Å; L416-W498 HydrophobicContact CB-CD2 3.85Å; L416-W498 HydrophobicContact CB-CE3 3.5Å; L416-W498 HydrophobicContact CB-CG 4.3Å; L416-W498 HydrophobicContact CB-CZ3 3.95Å; L416-W498 HydrophobicContact CD2-CE3 4.17Å; L416-W498 WeakPolarHBondContact O-CB 3.34Å; P496-W498 VanDerWaalsContact C-N 3.26Å; P496-W498 VanDerWaalsContact CB-CD1 3.5Å; P496-W498 HydrophobicContact CB-CG 4.32Å; P496-W498 PolarHBondContact O-N 3.37Å; W498-N501 PolarHBondContact O-N 2.81Å; W498-L502 HydrophobicContact CE3-CD1 3.72Å; W498-L502 HydrophobicContact CE3-CG 4.49Å; W498-L502 HydrophobicContact CZ3-CD1 3.57Å; W498-L502 WeakPolarHBondContact O-CG 3.25Å
499K93.1Very high91.2Very high6 Ų646.8 Ų46.83%0.02624%0.241CC..Hα-helixtrans-71-41.3174.5-65.2-172.9-160.7167.20111D356 L475 P496 E497 N501 L502 F503D356-K499 VanDerWaalsContact OD1-CE 3.29Å; D356-K499 WeakPolarHBondContact OD1-CE 3.18Å; D356-K499 IonicContact OD1-NZ 2.75Å; D356-K499 PolarHBondContact OD1-NZ 2.84Å; D356-K499 VanDerWaalsContact OD2-CE 3.28Å; D356-K499 WeakPolarHBondContact OD2-CE 3.2Å; D356-K499 IonicContact OD2-NZ 3.24Å; D356-K499 PolarHBondContact OD2-NZ 3.29Å; L475-K499 HydrophobicContact CD1-CB 4.27Å; L475-K499 HydrophobicContact CD1-CD 4.33Å; L475-K499 HydrophobicContact CD2-CB 4.08Å; P496-K499 HydrophobicContact CG-CD 4.4Å; P496-K499 WeakPolarHBondContact O-CB 3.43Å; P496-K499 PolarHBondContact O-N 2.79Å; E497-K499 PolarHBondContact O-N 2.74Å; K499-N501 PolarHBondContact O-N 3.43Å; K499-L502 PolarHBondContact O-N 2.79Å; K499-F503 VanDerWaalsContact O-CD2 3.23Å; K499-F503 WeakPolarHBondContact O-CD2 3.33Å
500H91.3Very high91.3Very high44 Ų4442.5 Ų42.520%0.20422%0.222CC..Hα-helixtrans-54.8-37175.7-79.5-94.7000111.7L477 P496 E497 L502 F503 K528L477-H500 VanDerWaalsContact CD2-CE1 3.43Å; L477-H500 WeakPolarHBondContact CD2-CE1 3.4Å; P496-H500 PolarHBondContact O-CD2 3.49Å; P496-H500 PolarHBondContact O-N 3.11Å; E497-H500 WeakPolarHBondContact O-CA 3.5Å; E497-H500 WeakPolarHBondContact O-CB 3.48Å; E497-H500 PolarHBondContact O-N 3.26Å; H500-L502 VanDerWaalsContact C-N 3.26Å; H500-L502 PolarHBondContact O-N 3.38Å; H500-F503 PolarHBondContact O-N 3.03Å; H500-F503 VanDerWaalsContact O-O 3.08Å; H500-K528 PolarHBondContact O-NZ 3.32Å
501N89.5Confident91.4Very high87 Ų8738.3 Ų38.347%0.46521%0.205SC..THydrogen-bonded Turntrans-75.7-9.2-178.8-62.9-16.4000114.1E497 W498 K499E497-N501 PolarHBondContact O-N 3.44Å; E497-N501 VanDerWaalsContact O-N 3.13Å; W498-N501 PolarHBondContact O-N 2.81Å; K499-N501 PolarHBondContact O-N 3.43Å
502L91.7Very high91.5Very high6 Ų637.1 Ų37.13%0.03120%0.195CC..THydrogen-bonded Turntrans-91.5-4.3175.9-64177.9000113.7I359 A360 S363 L416 W498 K499 H500 R530I359-L502 HydrophobicContact CG2-CD1 4.09Å; A360-L502 HydrophobicContact CB-CD1 4.16Å; S363-L502 PolarHBondContact OG-O 3.22Å; L416-L502 HydrophobicContact CD2-CD1 4.12Å; L416-L502 HydrophobicContact CD2-CD2 3.88Å; L416-L502 HydrophobicContact CD2-CG 4.41Å; W498-L502 HydrophobicContact CE3-CD1 3.72Å; W498-L502 HydrophobicContact CE3-CG 4.49Å; W498-L502 HydrophobicContact CZ3-CD1 3.57Å; W498-L502 WeakPolarHBondContact O-CG 3.25Å; K499-L502 PolarHBondContact O-N 2.79Å; H500-L502 VanDerWaalsContact C-N 3.26Å; H500-L502 PolarHBondContact O-N 3.38Å; L502-R530 PolarHBondContact O-NE 3.05Å
503F91.4Very high91.5Very high0 Ų034.6 Ų34.60%018%0.178CC..  trans-128.9121.3-179.9-60.7-87.5000109.5I359 L475 K499 H500 K528 T529 R530I359-F503 HydrophobicContact CG2-CE2 3.87Å; I359-F503 HydrophobicContact CG2-CZ 3.91Å; L475-F503 HydrophobicContact CB-CD2 3.72Å; L475-F503 HydrophobicContact CB-CE2 3.77Å; L475-F503 HydrophobicContact CB-CG 4.21Å; L475-F503 HydrophobicContact CB-CZ 4.26Å; L475-F503 HydrophobicContact CD1-CE2 4.32Å; L475-F503 HydrophobicContact CD2-CD2 4.07Å; L475-F503 HydrophobicContact CD2-CE2 4.38Å; L475-F503 HydrophobicContact CG-CD2 4.41Å; L475-F503 HydrophobicContact CG-CE2 4.39Å; K499-F503 VanDerWaalsContact O-CD2 3.23Å; K499-F503 WeakPolarHBondContact O-CD2 3.33Å; H500-F503 PolarHBondContact O-N 3.03Å; H500-F503 VanDerWaalsContact O-O 3.08Å; F503-K528 HydrophobicContact CB-CB 3.49Å; F503-K528 VanDerWaalsContact CB-CB 3.49Å; F503-K528 HydrophobicContact CG-CB 4.23Å; F503-K528 WeakPolarHBondContact O-CE 3.46Å; F503-K528 PolarHBondContact O-NZ 2.76Å; F503-T529 CarbonylContact C-O 3.59Å; F503-R530 HydrophobicContact CD1-CG 3.79Å; F503-R530 HydrophobicContact CE1-CG 4.28Å
504D87.9Confident91.5Very high48 Ų4838.6 Ų38.626%0.25720%0.196SC..  trans-91.1-16.3-165-53.2-50.6000114.5T529 N570 N571D504-T529 PolarHBondContact N-O 2.98Å; D504-T529 VanDerWaalsContact N-O 3.07Å; D504-N570 PolarHBondContact O-N 2.94Å; D504-N571 WeakPolarHBondContact CA-OD1 3.29Å; D504-N571 PolarHBondContact O-N 3.17Å; D504-N571 VanDerWaalsContact OD1-CG 3.3Å; D504-N571 PolarHBondContact OD1-ND2 3.37Å; D504-N571 PolarHBondContact OD1-OD1 3.04Å
505H89.8Confident91.5Very high13 Ų1335.3 Ų35.36%0.0617%0.169CC..EExtended strand (participates in β ladder)trans-124.8138.7-168.9-54.9-74.4000112K528 T529 A532 A568 A569 N570H505-K528 CarbonylContact O-C 3.49Å; H505-K528 WeakPolarHBondContact O-CA 3Å; H505-T529 PolarHBondContact N-O 2.9Å; H505-T529 PolarHBondContact O-N 2.97Å; H505-A532 WeakPolarHBondContact ND1-CB 3.32Å; H505-A568 WeakPolarHBondContact CA-O 3.19Å; H505-A569 VanDerWaalsContact ND1-CA 3.33Å; H505-A569 WeakPolarHBondContact ND1-CA 3.12Å; H505-A569 WeakPolarHBondContact ND1-CB 3.4Å; H505-N570 PolarHBondContact CE1-OD1 3.29Å
506Y91.7Very high91.3Very high10 Ų1043.9 Ų43.94%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-93.5129.3168.5-75.1-102.4000110L477 V526 K528 T566 V567 A568 L575L477-Y506 HydrophobicContact CD1-CD1 3.79Å; L477-Y506 HydrophobicContact CD1-CE1 3.43Å; L477-Y506 VanDerWaalsContact CD1-CE1 3.43Å; Y506-V526 HydrophobicContact CD1-CG1 4.29Å; Y506-K528 HydrophobicContact CD1-CG 4.19Å; Y506-K528 HydrophobicContact CE1-CD 4.18Å; Y506-K528 HydrophobicContact CE1-CG 4.11Å; Y506-K528 HydrophobicContact CE2-CD 4.11Å; Y506-K528 HydrophobicContact CG-CG 4.46Å; Y506-T566 WeakPolarHBondContact O-CA 3.48Å; Y506-V567 PolarHBondContact O-N 3.03Å; Y506-A568 HydrophobicContact CD2-CB 4.32Å; Y506-A568 PolarHBondContact N-O 3.15Å; Y506-L575 HydrophobicContact CD1-CB 4.23Å; Y506-L575 HydrophobicContact CD1-CD1 3.87Å; Y506-L575 HydrophobicContact CD1-CG 4.32Å; Y506-L575 HydrophobicContact CD2-CD1 3.9Å; Y506-L575 HydrophobicContact CD2-CG 4.01Å; Y506-L575 HydrophobicContact CE1-CB 3.86Å; Y506-L575 HydrophobicContact CE1-CD1 4.34Å; Y506-L575 HydrophobicContact CE1-CG 4.31Å; Y506-L575 HydrophobicContact CE2-CB 4.24Å; Y506-L575 HydrophobicContact CE2-CD1 4.38Å; Y506-L575 HydrophobicContact CE2-CG 4.01Å; Y506-L575 HydrophobicContact CG-CD1 3.62Å; Y506-L575 HydrophobicContact CG-CG 4.16Å; Y506-L575 PolarHBondContact OH-N 2.91Å
507L91.3Very high91.2Very high1 Ų146 Ų461%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-121.5122.6-179.1-165.976.6000110V509 V526 V527 T529 I538 V564L507-V509 HydrophobicContact CD2-CG2 3.94Å; L507-V509 HydrophobicContact CG-CG2 4.23Å; L507-V526 WeakPolarHBondContact O-CA 3.48Å; L507-V527 HydrophobicContact CB-CG2 3.86Å; L507-V527 HydrophobicContact CD2-CG2 4.12Å; L507-V527 PolarHBondContact N-O 3Å; L507-V527 PolarHBondContact O-N 3.34Å; L507-T529 HydrophobicContact CB-CG2 4.35Å; L507-T529 HydrophobicContact CD2-CG2 4.26Å; L507-I538 HydrophobicContact CD1-CD1 4Å; L507-I538 HydrophobicContact CD2-CD1 4.29Å; L507-I538 HydrophobicContact CD2-CG2 3.76Å; L507-V564 HydrophobicContact CD1-CG1 3.42Å; L507-V564 VanDerWaalsContact CD1-CG1 3.42Å; L507-V564 HydrophobicContact CD2-CG1 3.83Å; L507-V564 HydrophobicContact CG-CG1 3.67Å
508A92.7Very high91Very high0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-96128.4169.500000109.5V564 R565 V567 L584 L587A508-V564 WeakPolarHBondContact O-CA 3.35Å; A508-R565 PolarHBondContact N-O 2.95Å; A508-R565 PolarHBondContact O-N 3.23Å; A508-V567 HydrophobicContact CB-CG2 3.72Å; A508-L584 HydrophobicContact CB-CG 4.35Å; A508-L587 HydrophobicContact CB-CD2 4.23Å
509V93.2Very high90.8Very high3 Ų343.6 Ų43.62%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-121.8129.1-180-175.90000108.6L507 Y511 G524 A525 T542 V562 Y563 V564L507-V509 HydrophobicContact CD2-CG2 3.94Å; L507-V509 HydrophobicContact CG-CG2 4.23Å; V509-Y511 HydrophobicContact CB-CE2 4.49Å; V509-Y511 HydrophobicContact CG1-CD2 4.46Å; V509-Y511 HydrophobicContact CG1-CE1 4.2Å; V509-Y511 HydrophobicContact CG1-CE2 3.72Å; V509-Y511 WeakPolarHBondContact CG1-OH 3.14Å; V509-G524 CarbonylContact O-C 3.52Å; V509-G524 WeakPolarHBondContact O-CA 3.35Å; V509-A525 PolarHBondContact N-O 2.88Å; V509-A525 PolarHBondContact O-N 3.13Å; V509-T542 HydrophobicContact CB-CG2 4.43Å; V509-T542 HydrophobicContact CG1-CG2 3.6Å; V509-T542 HydrophobicContact CG2-CG2 3.9Å; V509-V562 HydrophobicContact CG1-CG1 3.76Å; V509-Y563 CarbonylContact C-O 3.58Å; V509-Y563 WeakPolarHBondContact CA-O 3.19Å; V509-V564 HydrophobicContact CG1-CG2 4.39Å; V509-V564 HydrophobicContact CG2-CG1 4.45Å; V509-V564 HydrophobicContact CG2-CG2 4.48Å
510L94.6Very high90.7Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-125.8125.9179-173.184.2000110.1F522 S523 V562 Y563 L584 L587 R588L510-F522 HydrophobicContact CD1-CB 4.2Å; L510-F522 HydrophobicContact CD1-CD1 4.49Å; L510-F522 HydrophobicContact CD2-CD1 3.79Å; L510-F522 HydrophobicContact CD2-CE1 4.33Å; L510-F522 HydrophobicContact CG-CD1 4.18Å; L510-S523 CarbonylContact C-O 3.55Å; L510-V562 CarbonylContact O-C 3.58Å; L510-V562 WeakPolarHBondContact O-CA 3.48Å; L510-Y563 HydrophobicContact CD2-CD2 4.43Å; L510-Y563 PolarHBondContact N-O 2.95Å; L510-Y563 PolarHBondContact O-N 3.02Å; L510-L584 HydrophobicContact CB-CD2 4.49Å; L510-L584 HydrophobicContact CD1-CD2 3.89Å; L510-L587 HydrophobicContact CB-CD2 3.86Å; L510-L587 HydrophobicContact CB-CG 4.16Å; L510-L587 HydrophobicContact CD2-CG 4.49Å; L510-R588 HydrophobicContact CD1-CB 4.2Å; L510-R588 VanDerWaalsContact CD2-CA 3.45Å; L510-R588 HydrophobicContact CD2-CB 3.93Å; L510-R588 HydrophobicContact CD2-CG 4.47Å
511Y94.9Very high90.7Very high1 Ų146.9 Ų46.90%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-101120.4175.1-54-88.3000109.4V509 F522 S523 T542 L546 L552 L555 V562V509-Y511 HydrophobicContact CB-CE2 4.49Å; V509-Y511 HydrophobicContact CG1-CD2 4.46Å; V509-Y511 HydrophobicContact CG1-CE1 4.2Å; V509-Y511 HydrophobicContact CG1-CE2 3.72Å; V509-Y511 WeakPolarHBondContact CG1-OH 3.14Å; Y511-F522 VanDerWaalsContact O-CA 3.29Å; Y511-F522 WeakPolarHBondContact O-CA 3.3Å; Y511-S523 PolarHBondContact N-O 3.2Å; Y511-S523 PolarHBondContact O-N 3.47Å; Y511-T542 PolarHBondContact OH-O 2.83Å; Y511-L546 HydrophobicContact CD1-CD2 3.96Å; Y511-L546 HydrophobicContact CD2-CD2 4.49Å; Y511-L546 HydrophobicContact CE1-CD1 4.48Å; Y511-L546 HydrophobicContact CE1-CD2 3.57Å; Y511-L546 HydrophobicContact CE1-CG 4.15Å; Y511-L546 HydrophobicContact CE2-CD2 4.15Å; Y511-L546 HydrophobicContact CG-CD2 4.42Å; Y511-L552 HydrophobicContact CD2-CD1 4.44Å; Y511-L552 HydrophobicContact CD2-CD2 4Å; Y511-L552 HydrophobicContact CE2-CD1 3.79Å; Y511-L552 HydrophobicContact CE2-CD2 4.17Å; Y511-L555 HydrophobicContact CD1-CD1 4.41Å; Y511-L555 HydrophobicContact CD2-CD1 4.26Å; Y511-L555 HydrophobicContact CG-CD1 3.85Å; Y511-V562 HydrophobicContact CD1-CG1 4.27Å; Y511-V562 HydrophobicContact CD1-CG2 3.79Å; Y511-V562 HydrophobicContact CE1-CG1 4.06Å; Y511-V562 HydrophobicContact CE1-CG2 3.97Å
512R94.4Very high91Very high51 Ų5143.4 Ų43.419%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-103.6122.8171.7178.5-176.7-178.7167.32.9109E520 F522 C560 Q561 Y563 S591R512-E520 IonicContact CZ-OE1 2.63Å; R512-E520 IonicContact CZ-OE2 2.6Å; R512-E520 IonicContact NE-OE1 2.65Å; R512-E520 PolarHBondContact NE-OE1 3.16Å; R512-E520 IonicContact NE-OE2 3.98Å; R512-E520 PolarHBondContact NE-OE2 2.92Å; R512-E520 IonicContact NH2-OE1 2.71Å; R512-E520 PolarHBondContact NH2-OE1 2.92Å; R512-E520 IonicContact NH2-OE2 3.33Å; R512-E520 PolarHBondContact NH2-OE2 3.4Å; R512-F522 HydrophobicContact CB-CD1 3.91Å; R512-F522 HydrophobicContact CB-CE1 3.75Å; R512-F522 HydrophobicContact CG-CD1 4.14Å; R512-F522 HydrophobicContact CG-CE1 3.6Å; R512-F522 HydrophobicContact CG-CZ 4Å; R512-C560 CarbonylContact O-C 3.6Å; R512-C560 VanDerWaalsContact O-CA 3.23Å; R512-C560 WeakPolarHBondContact O-CA 3.45Å; R512-C560 WeakPolarHBondContact O-CB 3.47Å; R512-Q561 HydrophobicContact CB-CB 4.32Å; R512-Q561 PolarHBondContact N-O 3.46Å; R512-Q561 PolarHBondContact O-N 3.49Å; R512-Y563 HydrophobicContact CB-CE2 4.01Å; R512-S591 PolarHBondContact NH1-O 3.44Å
513F92.9Very high91.1Very high23 Ų2343.1 Ų43.110%0.10122%0.22CC..EExtended strand (participates in β ladder)trans-143.3171-176.664.8-78.3000110.8E520 Q521 S523 L555 V558 C560F513-E520 WeakPolarHBondContact O-CA 3.48Å; F513-Q521 HydrophobicContact CD1-CB 4.31Å; F513-Q521 HydrophobicContact CD2-CB 4.27Å; F513-Q521 HydrophobicContact CE1-CB 3.77Å; F513-Q521 HydrophobicContact CE2-CB 3.73Å; F513-Q521 HydrophobicContact CE2-CG 4.33Å; F513-Q521 HydrophobicContact CZ-CB 3.44Å; F513-Q521 VanDerWaalsContact CZ-CB 3.44Å; F513-Q521 HydrophobicContact CZ-CG 4.37Å; F513-Q521 PolarHBondContact N-O 2.96Å; F513-Q521 PolarHBondContact O-N 2.89Å; F513-S523 WeakPolarHBondContact CE1-OG 3.4Å; F513-L555 HydrophobicContact CB-CD2 4.27Å; F513-L555 HydrophobicContact CD1-CD1 4.23Å; F513-L555 HydrophobicContact CD1-CD2 3.47Å; F513-L555 VanDerWaalsContact CD1-CD2 3.47Å; F513-L555 HydrophobicContact CD2-CD2 3.57Å; F513-L555 HydrophobicContact CE1-CD1 4.29Å; F513-L555 HydrophobicContact CE1-CD2 3.54Å; F513-L555 HydrophobicContact CE2-CD2 3.63Å; F513-L555 HydrophobicContact CG-CD2 3.49Å; F513-L555 VanDerWaalsContact CG-CD2 3.49Å; F513-L555 HydrophobicContact CZ-CD2 3.62Å; F513-V558 HydrophobicContact CB-CG1 4.39Å; F513-C560 HydrophobicContact CB-CB 3.97Å
514K91.5Very high91.3Very high131 Ų13143.1 Ų43.157%0.5722%0.22SC*.EExtended strand (participates in β ladder)trans-105.5134.4170-70.1-176.3176.1-172.80109.5K519 E520K514-K519 VanDerWaalsContact CA-O 3.29Å; K514-K519 WeakPolarHBondContact CA-O 3.5Å; K514-E520 HydrophobicContact CG-CG 4.45Å
515D88.3Confident91.6Very high47 Ų4740.9 Ų40.925%0.25121%0.208SC..  trans-74.7180171.162.931.3000111.9S517 G518 K519 Q521D515-S517 PolarHBondContact O-N 2.93Å; D515-S517 VanDerWaalsContact O-N 3.15Å; D515-S517 WeakPolarHBondContact OD1-CA 3.38Å; D515-S517 WeakPolarHBondContact OD1-CB 3.35Å; D515-S517 PolarHBondContact OD1-N 3.14Å; D515-S517 PolarHBondContact OD1-OG 3.16Å; D515-G518 WeakPolarHBondContact O-CA 3.46Å; D515-G518 PolarHBondContact O-N 3.31Å; D515-G518 PolarHBondContact OD1-N 3.25Å; D515-G518 VanDerWaalsContact OD1-N 3.15Å; D515-K519 PolarHBondContact N-O 3.4Å; D515-K519 PolarHBondContact OD1-N 3.02Å; D515-Q521 HydrophobicContact CB-CG 3.92Å; D515-Q521 WeakPolarHBondContact OD2-CG 3.49Å; D515-Q521 PolarHBondContact OD2-NE2 3.02Å
516E85Confident91.8Very high213 Ų21340.2 Ų40.2100%0.99521%0.205SC*.THydrogen-bonded Turntrans-59.9-23179.5-62.5-178.4172.700113.3G518E516-G518 VanDerWaalsContact C-N 3.31Å
517S87.6Confident91.9Very high98 Ų9839.8 Ų39.869%0.68520%0.204SC*.THydrogen-bonded Turntrans-86.4-2.4175.578.60000113.2D515 K519D515-S517 PolarHBondContact O-N 2.93Å; D515-S517 VanDerWaalsContact O-N 3.15Å; D515-S517 WeakPolarHBondContact OD1-CA 3.38Å; D515-S517 WeakPolarHBondContact OD1-CB 3.35Å; D515-S517 PolarHBondContact OD1-N 3.14Å; D515-S517 PolarHBondContact OD1-OG 3.16Å; S517-K519 VanDerWaalsContact C-N 3.29Å
518G86Confident91.9Very high41 Ų4140.2 Ų40.242%0.42321%0.205SC..SBendtrans80.46.4-177.400000114.2D515 E516D515-G518 WeakPolarHBondContact O-CA 3.46Å; D515-G518 PolarHBondContact O-N 3.31Å; D515-G518 PolarHBondContact OD1-N 3.25Å; D515-G518 VanDerWaalsContact OD1-N 3.15Å; E516-G518 VanDerWaalsContact C-N 3.31Å
519K88.1Confident91.9Very high93 Ų9340.3 Ų40.340%0.40421%0.206SC..  trans-82141.9179.5-171.5175-176.5174.80110.3E484 K514 D515 S517 Q521E484-K519 WeakPolarHBondContact OE1-CE 3.22Å; E484-K519 IonicContact OE1-NZ 2.72Å; E484-K519 PolarHBondContact OE1-NZ 2.86Å; E484-K519 IonicContact OE2-NZ 3.02Å; E484-K519 PolarHBondContact OE2-NZ 3.28Å; K514-K519 VanDerWaalsContact CA-O 3.29Å; K514-K519 WeakPolarHBondContact CA-O 3.5Å; D515-K519 PolarHBondContact N-O 3.4Å; D515-K519 PolarHBondContact OD1-N 3.02Å; S517-K519 VanDerWaalsContact C-N 3.29Å; K519-Q521 PolarHBondContact O-N 3.43Å
520E90.3Very high91.6Very high84 Ų8440.7 Ų40.739%0.39321%0.207SC..EExtended strand (participates in β ladder)trans-72.6128.1178.5-68-164137.600111.5R512 F513 K514R512-E520 IonicContact CZ-OE1 2.63Å; R512-E520 IonicContact CZ-OE2 2.6Å; R512-E520 IonicContact NE-OE1 2.65Å; R512-E520 PolarHBondContact NE-OE1 3.16Å; R512-E520 IonicContact NE-OE2 3.98Å; R512-E520 PolarHBondContact NE-OE2 2.92Å; R512-E520 IonicContact NH2-OE1 2.71Å; R512-E520 PolarHBondContact NH2-OE1 2.92Å; R512-E520 IonicContact NH2-OE2 3.33Å; R512-E520 PolarHBondContact NH2-OE2 3.4Å; F513-E520 WeakPolarHBondContact O-CA 3.48Å; K514-E520 HydrophobicContact CG-CG 4.45Å
521Q92.6Very high91Very high34 Ų3443.2 Ų43.216%0.15922%0.219CC..EExtended strand (participates in β ladder)trans-124.7158.8177.7-60.1-60.3-20.700110.2F513 D515 K519F513-Q521 HydrophobicContact CD1-CB 4.31Å; F513-Q521 HydrophobicContact CD2-CB 4.27Å; F513-Q521 HydrophobicContact CE1-CB 3.77Å; F513-Q521 HydrophobicContact CE2-CB 3.73Å; F513-Q521 HydrophobicContact CE2-CG 4.33Å; F513-Q521 HydrophobicContact CZ-CB 3.44Å; F513-Q521 VanDerWaalsContact CZ-CB 3.44Å; F513-Q521 HydrophobicContact CZ-CG 4.37Å; F513-Q521 PolarHBondContact N-O 2.96Å; F513-Q521 PolarHBondContact O-N 2.89Å; D515-Q521 HydrophobicContact CB-CG 3.92Å; D515-Q521 WeakPolarHBondContact OD2-CG 3.49Å; D515-Q521 PolarHBondContact OD2-NE2 3.02Å; K519-Q521 PolarHBondContact O-N 3.43Å
522F94.2Very high90.1Very high14 Ų1444.4 Ų44.46%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-131.7130.9178.1-58.8-96.9000110.7C482 L510 Y511 R512 R588 S591 T592C482-F522 HydrophobicContact CB-CB 3.76Å; C482-F522 WeakPolarHBondContact CB-O 3.42Å; C482-F522 PolarHBondContact N-O 3.32Å; C482-F522 PolarHBondContact SG-O 3.37Å; L510-F522 HydrophobicContact CD1-CB 4.2Å; L510-F522 HydrophobicContact CD1-CD1 4.49Å; L510-F522 HydrophobicContact CD2-CD1 3.79Å; L510-F522 HydrophobicContact CD2-CE1 4.33Å; L510-F522 HydrophobicContact CG-CD1 4.18Å; Y511-F522 VanDerWaalsContact O-CA 3.29Å; Y511-F522 WeakPolarHBondContact O-CA 3.3Å; R512-F522 HydrophobicContact CB-CD1 3.91Å; R512-F522 HydrophobicContact CB-CE1 3.75Å; R512-F522 HydrophobicContact CG-CD1 4.14Å; R512-F522 HydrophobicContact CG-CE1 3.6Å; R512-F522 HydrophobicContact CG-CZ 4Å; F522-R588 HydrophobicContact CB-CG 4.49Å; F522-R588 HydrophobicContact CD1-CG 4.17Å; F522-R588 HydrophobicContact CD2-CG 4.32Å; F522-R588 HydrophobicContact CE1-CG 4.47Å; F522-R588 HydrophobicContact CG-CG 4.08Å; F522-S591 WeakPolarHBondContact CE1-OG 3.2Å; F522-T592 HydrophobicContact CE1-CG2 4.26Å; F522-T592 HydrophobicContact CE2-CG2 4.14Å; F522-T592 HydrophobicContact CZ-CG2 3.51Å
523S94.9Very high89.1Confident1 Ų146.8 Ų46.81%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-125.4163.3166.7-54.50000108.6V480 D481 L510 Y511 F513 L552V480-S523 CarbonylContact O-C 3.57Å; V480-S523 WeakPolarHBondContact O-CA 3.49Å; V480-S523 WeakPolarHBondContact O-CB 3.43Å; D481-S523 WeakPolarHBondContact OD1-CB 3.32Å; D481-S523 PolarHBondContact OD1-OG 2.91Å; L510-S523 CarbonylContact C-O 3.55Å; Y511-S523 PolarHBondContact N-O 3.2Å; Y511-S523 PolarHBondContact O-N 3.47Å; F513-S523 WeakPolarHBondContact CE1-OG 3.4Å; S523-L552 VanDerWaalsContact CB-CD2 3.49Å
524G94.6Very high88Confident0 Ų049.8 Ų49.80%027%0.271CS..EExtended strand (participates in β ladder)trans-160177.5-178.300000113.7D479 V480 V509D479-G524 CarbonylContact C-O 3.58Å; D479-G524 WeakPolarHBondContact CA-O 3.49Å; V480-G524 PolarHBondContact N-O 3.05Å; V480-G524 PolarHBondContact O-N 3.43Å; V509-G524 CarbonylContact O-C 3.52Å; V509-G524 WeakPolarHBondContact O-CA 3.35Å
525A95Very high87.5Confident0 Ų045.6 Ų45.60%027%0.265CS..EExtended strand (participates in β ladder)trans-148.2154.8173.600000111.1Y478 V509 M545 L552Y478-A525 CarbonylContact O-C 3.54Å; Y478-A525 WeakPolarHBondContact O-CA 3.45Å; Y478-A525 WeakPolarHBondContact O-CB 3.46Å; V509-A525 PolarHBondContact N-O 2.88Å; V509-A525 PolarHBondContact O-N 3.13Å; A525-M545 HydrophobicContact CB-CE 3.89Å; A525-M545 HydrophobicContact CB-CG 4.05Å; A525-L552 HydrophobicContact CB-CD1 4.04Å
526V93.7Very high87.2Confident0 Ų051.6 Ų51.60%029%0.288CS..EExtended strand (participates in β ladder)trans-115.7129.1162.4-171.40000108.1L477 Y478 Y506 L507 C580 L584L477-V526 WeakPolarHBondContact CB-O 3.39Å; L477-V526 HydrophobicContact CD1-CG1 4.38Å; L477-V526 PolarHBondContact N-O 3.08Å; Y478-V526 HydrophobicContact CD2-CB 3.99Å; Y478-V526 HydrophobicContact CD2-CG2 4.27Å; Y478-V526 PolarHBondContact N-O 3.13Å; Y478-V526 VanDerWaalsContact N-O 3.15Å; Y478-V526 PolarHBondContact O-N 2.99Å; Y506-V526 HydrophobicContact CD1-CG1 4.29Å; L507-V526 WeakPolarHBondContact O-CA 3.48Å; V526-C580 HydrophobicContact CB-CB 4.5Å; V526-C580 HydrophobicContact CG1-CB 4.17Å; V526-C580 HydrophobicContact CG2-CB 4.12Å; V526-L584 HydrophobicContact CG2-CD1 3.32Å; V526-L584 HydrophobicContact CG2-CG 4.11Å
527V93.3Very high87.1Confident1 Ų147 Ų471%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-129.9154.7178.2-54.10000109.5F474 L475 L507 T529 I541 M545F474-V527 HydrophobicContact CD2-CB 4.18Å; F474-V527 HydrophobicContact CD2-CG1 4.01Å; F474-V527 HydrophobicContact CE2-CG1 4.46Å; L475-V527 CarbonylContact O-C 3.39Å; L475-V527 VanDerWaalsContact O-CA 3.24Å; L475-V527 WeakPolarHBondContact O-CA 3.39Å; L507-V527 HydrophobicContact CB-CG2 3.86Å; L507-V527 HydrophobicContact CD2-CG2 4.12Å; L507-V527 PolarHBondContact N-O 3Å; L507-V527 PolarHBondContact O-N 3.34Å; V527-T529 HydrophobicContact CG2-CG2 3.86Å; V527-I541 HydrophobicContact CG2-CG2 4.43Å; V527-M545 HydrophobicContact CG1-CE 4.45Å; V527-M545 HydrophobicContact CG1-SD 4.06Å
528K92.6Very high86.9Confident10 Ų1042.6 Ų42.64%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-93.6145.7160.7-55-165.871.2-174.50110.8F474 L475 L477 H500 F503 H505 Y506F474-K528 CarbonylContact C-O 3.53Å; F474-K528 VanDerWaalsContact CA-O 3.23Å; F474-K528 WeakPolarHBondContact CA-O 3.25Å; F474-K528 WeakPolarHBondContact CB-O 3.13Å; L475-K528 HydrophobicContact CB-CB 4.18Å; L475-K528 PolarHBondContact N-O 2.82Å; L475-K528 PolarHBondContact O-N 3.43Å; L477-K528 HydrophobicContact CD1-CD 4.47Å; L477-K528 HydrophobicContact CD1-CG 3.8Å; L477-K528 HydrophobicContact CD2-CG 4.45Å; L477-K528 HydrophobicContact CG-CG 4.26Å; H500-K528 PolarHBondContact O-NZ 3.32Å; F503-K528 HydrophobicContact CB-CB 3.49Å; F503-K528 VanDerWaalsContact CB-CB 3.49Å; F503-K528 HydrophobicContact CG-CB 4.23Å; F503-K528 WeakPolarHBondContact O-CE 3.46Å; F503-K528 PolarHBondContact O-NZ 2.76Å; H505-K528 CarbonylContact O-C 3.49Å; H505-K528 WeakPolarHBondContact O-CA 3Å; Y506-K528 HydrophobicContact CD1-CG 4.19Å; Y506-K528 HydrophobicContact CE1-CD 4.18Å; Y506-K528 HydrophobicContact CE1-CG 4.11Å; Y506-K528 HydrophobicContact CE2-CD 4.11Å; Y506-K528 HydrophobicContact CG-CG 4.46Å
529T91.7Very high86.9Confident1 Ų145 Ų451%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-139.8164.5179.763.10000110.4F474 F503 D504 H505 L507 V527 E531 I541F474-T529 HydrophobicContact CB-CG2 3.99Å; F503-T529 CarbonylContact C-O 3.59Å; D504-T529 PolarHBondContact N-O 2.98Å; D504-T529 VanDerWaalsContact N-O 3.07Å; H505-T529 PolarHBondContact N-O 2.9Å; H505-T529 PolarHBondContact O-N 2.97Å; L507-T529 HydrophobicContact CB-CG2 4.35Å; L507-T529 HydrophobicContact CD2-CG2 4.26Å; V527-T529 HydrophobicContact CG2-CG2 3.86Å; T529-E531 PolarHBondContact OG1-O 3.24Å; T529-I541 HydrophobicContact CG2-CD1 3.9Å
530R87.7Confident86.9Confident11 Ų1143.2 Ų43.24%0.04223%0.233CC..SBendtrans-89.1-9173.5-59.6-171.8-174.291.93.9113.8I359 S363 L472 L502 F503I359-R530 PolarHBondContact O-NH2 2.72Å; S363-R530 PolarHBondContact OG-NE 3.18Å; S363-R530 VanDerWaalsContact OG-NE 3.13Å; L472-R530 PolarHBondContact O-NH1 3.23Å; L472-R530 PolarHBondContact O-NH2 3.33Å; L502-R530 PolarHBondContact O-NE 3.05Å; F503-R530 HydrophobicContact CD1-CG 3.79Å; F503-R530 HydrophobicContact CE1-CG 4.28Å
531E82.1Confident86.8Confident54 Ų5439.6 Ų39.625%0.25222%0.216SC..  trans-119.2128.8-178.4-75.8-60142.400110.9H366 K370 T529 E537H366-E531 IonicContact CE1-OE1 3.52Å; H366-E531 PolarHBondContact CE1-OE1 2.58Å; H366-E531 IonicContact NE2-OE1 3.86Å; H366-E531 PolarHBondContact NE2-OE1 2.55Å; K370-E531 VanDerWaalsContact CE-OE1 3.25Å; K370-E531 WeakPolarHBondContact CE-OE1 3.35Å; K370-E531 IonicContact NZ-OE1 2.98Å; K370-E531 PolarHBondContact NZ-OE1 3.19Å; T529-E531 PolarHBondContact OG1-O 3.24Å; E531-E537 WeakPolarHBondContact CG-OE2 3.39Å
532A75.9Confident86.7Confident26 Ų2638.3 Ų38.322%0.21521%0.211CC..  trans-84.1-26.4-17700000113.3H505 T566H505-A532 WeakPolarHBondContact ND1-CB 3.32Å; A532-T566 HydrophobicContact CB-CG2 4.5Å; A532-T566 PolarHBondContact O-OG1 2.85Å
533T72.5Confident86.4Confident100 Ų10045.2 Ų45.261%0.61324%0.236SC*.SBendtrans-99.6129.1-160.9-47.20000111G535 I538T533-G535 PolarHBondContact O-N 3.15Å; T533-I538 WeakPolarHBondContact O-CD1 3.39Å
534P69.9Low86.2Confident87 Ų8747.9 Ų47.957%0.56525%0.246SC*.  trans-51.8125.5170.8-25.534.6000111
535G81Confident85.8Confident42 Ų4248 Ų4843%0.43325%0.247SC..SBendtrans-171.9-172.6-177.500000110.8T533 E537 I538 E539T533-G535 PolarHBondContact O-N 3.15Å; G535-E537 PolarHBondContact O-N 3.24Å; G535-I538 PolarHBondContact O-N 2.96Å; G535-E539 PolarHBondContact O-N 3.2Å
536K83.2Confident85.5Confident173 Ų17349 Ų4975%0.75225%0.252SS*.Hα-helixtrans-58.9-33.9-175.9-166.5176.1-178.8-178.80113.1T540K536-T540 PolarHBondContact O-N 2.81Å; K536-T540 PolarHBondContact O-OG1 3.08Å
537E81.6Confident85Confident118 Ų11854.6 Ų54.655%0.55128%0.282SS*.Hα-helixtrans-66.4-49.3176.8-67.9-176.4-176.600111.5E531 G535 E539 T540 I541E531-E537 WeakPolarHBondContact CG-OE2 3.39Å; G535-E537 PolarHBondContact O-N 3.24Å; E537-E539 VanDerWaalsContact C-N 3.32Å; E537-E539 PolarHBondContact O-N 2.75Å; E537-T540 WeakPolarHBondContact O-CA 3.4Å; E537-T540 WeakPolarHBondContact O-CB 3.18Å; E537-T540 PolarHBondContact O-N 3.43Å; E537-I541 WeakPolarHBondContact O-CG1 3.37Å; E537-I541 PolarHBondContact O-N 3.06Å
538I84.1Confident84.6Confident4 Ų457.3 Ų57.32%0.02129%0.294CS..Hα-helixtrans-61.2-40.8176.2-68.8-168.1000111.3L507 T533 G535 T540 I541 T542 V564L507-I538 HydrophobicContact CD1-CD1 4Å; L507-I538 HydrophobicContact CD2-CD1 4.29Å; L507-I538 HydrophobicContact CD2-CG2 3.76Å; T533-I538 WeakPolarHBondContact O-CD1 3.39Å; G535-I538 PolarHBondContact O-N 2.96Å; I538-T540 VanDerWaalsContact C-N 3.26Å; I538-T540 PolarHBondContact O-N 2.9Å; I538-I541 WeakPolarHBondContact O-CB 3.25Å; I538-I541 PolarHBondContact O-N 2.83Å; I538-I541 VanDerWaalsContact O-N 3.16Å; I538-T542 WeakPolarHBondContact O-CG2 3.49Å; I538-T542 PolarHBondContact O-N 2.81Å; I538-V564 HydrophobicContact CG2-CG1 3.85Å; I538-V564 HydrophobicContact CG2-CG2 4.44Å
539E86.8Confident84.4Confident92 Ų9256.9 Ų56.943%0.4329%0.292SS..Hα-helixtrans-60.1-38174-165.2-162.1152.500112G535 E537 T542 R543G535-E539 PolarHBondContact O-N 3.2Å; E537-E539 VanDerWaalsContact C-N 3.32Å; E537-E539 PolarHBondContact O-N 2.75Å; E539-T542 PolarHBondContact O-N 3.22Å; E539-T542 PolarHBondContact O-OG1 3.22Å; E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 2.7Å; E539-R543 IonicContact OE1-CZ 2.66Å; E539-R543 IonicContact OE1-NE 3.45Å; E539-R543 PolarHBondContact OE1-NE 3.11Å; E539-R543 IonicContact OE1-NH2 3.16Å; E539-R543 PolarHBondContact OE1-NH2 2.99Å
540T87.8Confident84.2Confident56 Ų5661.9 Ų61.934%0.34432%0.324SS..Hα-helixtrans-68.6-38.6176.6-52.10000110.9K536 E537 I538 R543 R544K536-T540 PolarHBondContact O-N 2.81Å; K536-T540 PolarHBondContact O-OG1 3.08Å; E537-T540 WeakPolarHBondContact O-CA 3.4Å; E537-T540 WeakPolarHBondContact O-CB 3.18Å; E537-T540 PolarHBondContact O-N 3.43Å; I538-T540 VanDerWaalsContact C-N 3.26Å; I538-T540 PolarHBondContact O-N 2.9Å; T540-R543 PolarHBondContact O-N 2.79Å; T540-R544 WeakPolarHBondContact O-CG 3.48Å; T540-R544 PolarHBondContact O-N 3.43Å
541I88.6Confident84.4Confident8 Ų863 Ų634%0.04133%0.329CS..Hα-helixtrans-60.7-46.8174.5-69.1167.6000111F474 V527 T529 E537 I538 R543 R544 M545F474-I541 HydrophobicContact CB-CD1 4.2Å; F474-I541 HydrophobicContact CB-CG1 4.39Å; F474-I541 HydrophobicContact CB-CG2 3.92Å; F474-I541 HydrophobicContact CD1-CB 4.22Å; F474-I541 HydrophobicContact CD1-CG1 3.9Å; F474-I541 HydrophobicContact CD1-CG2 3.65Å; F474-I541 HydrophobicContact CD2-CG2 4.25Å; F474-I541 HydrophobicContact CE1-CG2 4.13Å; F474-I541 HydrophobicContact CG-CG1 4.47Å; F474-I541 HydrophobicContact CG-CG2 3.69Å; V527-I541 HydrophobicContact CG2-CG2 4.43Å; T529-I541 HydrophobicContact CG2-CD1 3.9Å; E537-I541 WeakPolarHBondContact O-CG1 3.37Å; E537-I541 PolarHBondContact O-N 3.06Å; I538-I541 WeakPolarHBondContact O-CB 3.25Å; I538-I541 PolarHBondContact O-N 2.83Å; I538-I541 VanDerWaalsContact O-N 3.16Å; I541-R543 VanDerWaalsContact C-N 3.33Å; I541-R543 PolarHBondContact O-N 2.81Å; I541-R544 PolarHBondContact O-N 3.15Å; I541-M545 WeakPolarHBondContact O-CB 3.26Å; I541-M545 PolarHBondContact O-N 2.82Å
542T89.3Confident84.9Confident7 Ų760.5 Ų60.54%0.04332%0.317CS..Hα-helixtrans-61.5-42.4-179.763.70000111.5V509 Y511 I538 E539 M545 V562 V564V509-T542 HydrophobicContact CB-CG2 4.43Å; V509-T542 HydrophobicContact CG1-CG2 3.6Å; V509-T542 HydrophobicContact CG2-CG2 3.9Å; Y511-T542 PolarHBondContact OH-O 2.83Å; I538-T542 WeakPolarHBondContact O-CG2 3.49Å; I538-T542 PolarHBondContact O-N 2.81Å; E539-T542 PolarHBondContact O-N 3.22Å; E539-T542 PolarHBondContact O-OG1 3.22Å; T542-M545 WeakPolarHBondContact O-CB 3.43Å; T542-M545 PolarHBondContact O-N 2.73Å; T542-V562 HydrophobicContact CG2-CG1 4.1Å; T542-V564 HydrophobicContact CG2-CG2 3.91Å
543R88.9Confident85.5Confident159 Ų15965.3 Ų65.360%0.633%0.333SS*.Hα-helixtrans-61.1-47.8175.2-67.9175.7-172.6-89.82.4111.9E539 T540 I541 M545 L546E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 2.7Å; E539-R543 IonicContact OE1-CZ 2.66Å; E539-R543 IonicContact OE1-NE 3.45Å; E539-R543 PolarHBondContact OE1-NE 3.11Å; E539-R543 IonicContact OE1-NH2 3.16Å; E539-R543 PolarHBondContact OE1-NH2 2.99Å; T540-R543 PolarHBondContact O-N 2.79Å; I541-R543 VanDerWaalsContact C-N 3.33Å; I541-R543 PolarHBondContact O-N 2.81Å; R543-M545 PolarHBondContact O-N 2.79Å; R543-L546 WeakPolarHBondContact O-CB 3.21Å; R543-L546 PolarHBondContact O-N 3.39Å; R543-L546 VanDerWaalsContact O-N 3.16Å
544R89.1Confident86.3Confident56 Ų5665.6 Ų65.621%0.21133%0.326CS..Hα-helixtrans-66.5-25.2179.5-68.7-175.8-52.4-145.2-7.7113S470 D473 F474 T540 I541 L546 D547 F548S470-R544 PolarHBondContact O-NE 3Å; D473-R544 IonicContact OD1-CZ 2.98Å; D473-R544 IonicContact OD1-NH2 3.06Å; D473-R544 PolarHBondContact OD1-NH2 2.98Å; D473-R544 IonicContact OD2-CZ 2.79Å; D473-R544 IonicContact OD2-NH1 3.61Å; D473-R544 PolarHBondContact OD2-NH1 2.93Å; D473-R544 IonicContact OD2-NH2 2.93Å; D473-R544 PolarHBondContact OD2-NH2 3.24Å; F474-R544 HydrophobicContact CE1-CB 4.25Å; T540-R544 WeakPolarHBondContact O-CG 3.48Å; T540-R544 PolarHBondContact O-N 3.43Å; I541-R544 PolarHBondContact O-N 3.15Å; R544-L546 VanDerWaalsContact C-N 3.28Å; R544-L546 PolarHBondContact O-N 3.49Å; R544-D547 PolarHBondContact O-N 3Å; R544-F548 PolarHBondContact O-N 3.34Å; R544-F548 VanDerWaalsContact O-N 3.11Å
545M87.6Confident87.3Confident3 Ų361.6 Ų61.62%0.01530%0.299CS..Hα-helixtrans-66.4-30.2175.2-167.161.6-167.700112.5F474 P476 A525 V527 I541 T542 R543 D547 F548 S549 L552F474-M545 HydrophobicContact CE2-SD 3.66Å; F474-M545 HydrophobicContact CZ-SD 4.27Å; P476-M545 HydrophobicContact CB-CE 3.84Å; P476-M545 HydrophobicContact CB-SD 4.18Å; A525-M545 HydrophobicContact CB-CE 3.89Å; A525-M545 HydrophobicContact CB-CG 4.05Å; V527-M545 HydrophobicContact CG1-CE 4.45Å; V527-M545 HydrophobicContact CG1-SD 4.06Å; I541-M545 WeakPolarHBondContact O-CB 3.26Å; I541-M545 PolarHBondContact O-N 2.82Å; T542-M545 WeakPolarHBondContact O-CB 3.43Å; T542-M545 PolarHBondContact O-N 2.73Å; R543-M545 PolarHBondContact O-N 2.79Å; M545-D547 VanDerWaalsContact C-N 3.31Å; M545-D547 PolarHBondContact O-N 3.33Å; M545-F548 HydrophobicContact CE-CD1 3.9Å; M545-F548 HydrophobicContact CE-CE1 4.42Å; M545-F548 PolarHBondContact O-N 3.08Å; M545-F548 HydrophobicContact SD-CB 4.46Å; M545-F548 HydrophobicContact SD-CD1 3.9Å; M545-S549 PolarHBondContact O-N 3.1Å; M545-L552 HydrophobicContact CE-CD1 4.48Å; M545-L552 HydrophobicContact CG-CD1 3.82Å
546L88.9Confident87.5Confident21 Ų2162 Ų6211%0.1130%0.299CS..Hα-helixtrans-63.7-37.8174.2-59.5-177000111.9Y511 R543 R544 L552 K553 L555Y511-L546 HydrophobicContact CD1-CD2 3.96Å; Y511-L546 HydrophobicContact CD2-CD2 4.49Å; Y511-L546 HydrophobicContact CE1-CD1 4.48Å; Y511-L546 HydrophobicContact CE1-CD2 3.57Å; Y511-L546 HydrophobicContact CE1-CG 4.15Å; Y511-L546 HydrophobicContact CE2-CD2 4.15Å; Y511-L546 HydrophobicContact CG-CD2 4.42Å; R543-L546 WeakPolarHBondContact O-CB 3.21Å; R543-L546 PolarHBondContact O-N 3.39Å; R543-L546 VanDerWaalsContact O-N 3.16Å; R544-L546 VanDerWaalsContact C-N 3.28Å; R544-L546 PolarHBondContact O-N 3.49Å; L546-L552 HydrophobicContact CD2-CB 3.9Å; L546-K553 WeakPolarHBondContact O-CA 3.21Å; L546-K553 PolarHBondContact O-N 2.79Å; L546-L555 HydrophobicContact CD2-CB 4.02Å; L546-L555 HydrophobicContact CD2-CD1 4.17Å
547D83.3Confident87.6Confident118 Ų11858 Ų5863%0.63131%0.306SS*.Hα-helixtrans-76.9-30.3178.4-65.9-36.9000112.4R544 M545R544-D547 PolarHBondContact O-N 3Å; M545-D547 VanDerWaalsContact C-N 3.31Å; M545-D547 PolarHBondContact O-N 3.33Å
548F85Confident87.9Confident58 Ų5854.8 Ų54.825%0.25430%0.295SS..Hα-helixtrans-75.5-51.3-179.6176.5-98.6000113L471 P476 Y493 R544 M545 P550L471-F548 HydrophobicContact CD1-CD2 3.58Å; L471-F548 HydrophobicContact CD1-CE2 3.55Å; L471-F548 HydrophobicContact CD2-CB 4.28Å; L471-F548 HydrophobicContact CD2-CD2 3.54Å; L471-F548 HydrophobicContact CD2-CE2 4.04Å; L471-F548 HydrophobicContact CD2-CG 3.93Å; L471-F548 HydrophobicContact CG-CD2 4.14Å; L471-F548 HydrophobicContact CG-CE2 4.45Å; P476-F548 HydrophobicContact CB-CD1 4.16Å; P476-F548 HydrophobicContact CB-CE1 3.65Å; P476-F548 HydrophobicContact CB-CZ 4.35Å; P476-F548 HydrophobicContact CG-CD1 4.07Å; P476-F548 HydrophobicContact CG-CE1 3.36Å; P476-F548 HydrophobicContact CG-CE2 4.42Å; P476-F548 HydrophobicContact CG-CZ 3.56Å; Y493-F548 HydrophobicContact CD1-CE1 4.01Å; Y493-F548 HydrophobicContact CD1-CZ 4.15Å; Y493-F548 AromaticContact CE1-CE1 3.61Å; Y493-F548 HydrophobicContact CE1-CE1 3.61Å; Y493-F548 AromaticContact CE1-CZ 3.97Å; Y493-F548 HydrophobicContact CE1-CZ 3.97Å; Y493-F548 HydrophobicContact CE2-CE1 4.35Å; Y493-F548 AromaticContact CZ-CE1 3.81Å; R544-F548 PolarHBondContact O-N 3.34Å; R544-F548 VanDerWaalsContact O-N 3.11Å; M545-F548 HydrophobicContact CE-CD1 3.9Å; M545-F548 HydrophobicContact CE-CE1 4.42Å; M545-F548 PolarHBondContact O-N 3.08Å; M545-F548 HydrophobicContact SD-CB 4.46Å; M545-F548 HydrophobicContact SD-CD1 3.9Å; F548-P550 WeakPolarHBondContact O-CD 3.38Å
549S88.4Confident88.2Confident0 Ų060.4 Ų60.40%033%0.331CS..  trans-80.9122.4-173.1161.80000110.9D479 M545 R551 L552 K553D479-S549 VanDerWaalsContact CG-OG 3.3Å; D479-S549 WeakPolarHBondContact OD2-CB 3.08Å; D479-S549 PolarHBondContact OD2-OG 3.31Å; M545-S549 PolarHBondContact O-N 3.1Å; S549-R551 PolarHBondContact O-N 2.8Å; S549-R551 PolarHBondContact OG-N 3.41Å; S549-L552 PolarHBondContact O-N 2.83Å; S549-L552 WeakPolarHBondContact OG-CG 3.4Å; S549-L552 PolarHBondContact OG-N 2.86Å; S549-K553 WeakPolarHBondContact O-CB 3.46Å; S549-K553 PolarHBondContact O-N 2.72Å
550P87.3Confident88.4Confident106 Ų10658 Ų5869%0.68833%0.325SS*.THydrogen-bonded Turntrans-55.7-36.3173-24.434.5000112.5F548F548-P550 WeakPolarHBondContact O-CD 3.38Å
551R91.4Very high88.6Confident36 Ų3659.9 Ų59.914%0.13633%0.329CS..THydrogen-bonded Turntrans-67.7-43178.5-174.7175.6-65.4-86.13.8112.3D479 D481 E489 D491 S549 K554D479-R551 WeakPolarHBondContact OD1-CD 3.24Å; D479-R551 IonicContact OD1-NE 3.48Å; D479-R551 PolarHBondContact OD1-NE 3.32Å; D481-R551 WeakPolarHBondContact OD2-CD 3.43Å; D481-R551 WeakPolarHBondContact OD2-CG 3.38Å; D481-R551 IonicContact OD2-CZ 2.71Å; D481-R551 IonicContact OD2-NH1 3.71Å; D481-R551 PolarHBondContact OD2-NH1 2.85Å; E489-R551 IonicContact OE1-CZ 3.26Å; E489-R551 IonicContact OE1-NH1 3.76Å; E489-R551 PolarHBondContact OE1-NH1 2.82Å; E489-R551 IonicContact OE1-NH2 3.12Å; E489-R551 PolarHBondContact OE1-NH2 2.83Å; E489-R551 VanDerWaalsContact OE1-NH2 3.1Å; D491-R551 IonicContact OD1-NH2 2.85Å; D491-R551 IonicContact OD2-CZ 3.8Å; D491-R551 IonicContact OD2-NE 2.91Å; D491-R551 PolarHBondContact OD2-NE 2.78Å; D491-R551 VanDerWaalsContact OD2-NE 3.08Å; D491-R551 IonicContact OD2-NH2 3.1Å; D491-R551 PolarHBondContact OD2-NH2 3.07Å; S549-R551 PolarHBondContact O-N 2.8Å; S549-R551 PolarHBondContact OG-N 3.41Å; R551-K554 WeakPolarHBondContact O-CD 3.29Å; R551-K554 VanDerWaalsContact O-CE 3.25Å; R551-K554 WeakPolarHBondContact O-CE 3.42Å; R551-K554 WeakPolarHBondContact O-CG 3.41Å
552L92Very high88.7Confident0 Ų062.4 Ų62.40%035%0.345CS..G310 helixtrans-82.9-17.1-178.5-60.1177.1000113.3D479 Y511 S523 A525 M545 L546 S549 K554 L555D479-L552 HydrophobicContact CB-CD1 4.44Å; D479-L552 HydrophobicContact CB-CG 4.46Å; Y511-L552 HydrophobicContact CD2-CD1 4.44Å; Y511-L552 HydrophobicContact CD2-CD2 4Å; Y511-L552 HydrophobicContact CE2-CD1 3.79Å; Y511-L552 HydrophobicContact CE2-CD2 4.17Å; S523-L552 VanDerWaalsContact CB-CD2 3.49Å; A525-L552 HydrophobicContact CB-CD1 4.04Å; M545-L552 HydrophobicContact CE-CD1 4.48Å; M545-L552 HydrophobicContact CG-CD1 3.82Å; L546-L552 HydrophobicContact CD2-CB 3.9Å; S549-L552 PolarHBondContact O-N 2.83Å; S549-L552 WeakPolarHBondContact OG-CG 3.4Å; S549-L552 PolarHBondContact OG-N 2.86Å; L552-K554 PolarHBondContact O-N 3.48Å; L552-K554 VanDerWaalsContact O-N 3.08Å; L552-L555 HydrophobicContact CD2-CD1 4.28Å; L552-L555 VanDerWaalsContact O-CB 3.29Å; L552-L555 WeakPolarHBondContact O-CB 3.23Å; L552-L555 WeakPolarHBondContact O-CG 3.42Å; L552-L555 PolarHBondContact O-N 3.05Å
553K89Confident88.9Confident128 Ų12865.3 Ų65.356%0.55736%0.356SS*.G310 helixtrans-56.6-26.8-179.5-166.7172.4-175.8176.50114.1L546 S549 L555 A556L546-K553 WeakPolarHBondContact O-CA 3.21Å; L546-K553 PolarHBondContact O-N 2.79Å; S549-K553 WeakPolarHBondContact O-CB 3.46Å; S549-K553 PolarHBondContact O-N 2.72Å; K553-L555 PolarHBondContact O-N 2.99Å; K553-L555 VanDerWaalsContact O-N 3.13Å; K553-A556 VanDerWaalsContact O-CB 3.25Å; K553-A556 WeakPolarHBondContact O-CB 3.19Å; K553-A556 PolarHBondContact O-N 2.59Å
554K89.3Confident88.9Confident106 Ų10659.9 Ų59.946%0.46134%0.34SS..G310 helixtrans-59.9-18172.770-168.1175.1-172.10114D481 R551 L552 V558D481-K554 WeakPolarHBondContact OD1-CE 3.47Å; D481-K554 IonicContact OD1-NZ 3.74Å; D481-K554 PolarHBondContact OD1-NZ 2.98Å; D481-K554 IonicContact OD2-NZ 3.53Å; D481-K554 PolarHBondContact OD2-NZ 3.44Å; R551-K554 WeakPolarHBondContact O-CD 3.29Å; R551-K554 VanDerWaalsContact O-CE 3.25Å; R551-K554 WeakPolarHBondContact O-CE 3.42Å; R551-K554 WeakPolarHBondContact O-CG 3.41Å; L552-K554 PolarHBondContact O-N 3.48Å; L552-K554 VanDerWaalsContact O-N 3.08Å; K554-V558 WeakPolarHBondContact O-CG2 3.42Å
555L89.8Confident88.9Confident2 Ų262 Ų621%0.0135%0.348CS..G310 helixtrans-91.7-5.2178.5-51.9179.6000112.9Y511 F513 L546 L552 K553 G557 V558Y511-L555 HydrophobicContact CD1-CD1 4.41Å; Y511-L555 HydrophobicContact CD2-CD1 4.26Å; Y511-L555 HydrophobicContact CG-CD1 3.85Å; F513-L555 HydrophobicContact CB-CD2 4.27Å; F513-L555 HydrophobicContact CD1-CD1 4.23Å; F513-L555 HydrophobicContact CD1-CD2 3.47Å; F513-L555 VanDerWaalsContact CD1-CD2 3.47Å; F513-L555 HydrophobicContact CD2-CD2 3.57Å; F513-L555 HydrophobicContact CE1-CD1 4.29Å; F513-L555 HydrophobicContact CE1-CD2 3.54Å; F513-L555 HydrophobicContact CE2-CD2 3.63Å; F513-L555 HydrophobicContact CG-CD2 3.49Å; F513-L555 VanDerWaalsContact CG-CD2 3.49Å; F513-L555 HydrophobicContact CZ-CD2 3.62Å; L546-L555 HydrophobicContact CD2-CB 4.02Å; L546-L555 HydrophobicContact CD2-CD1 4.17Å; L552-L555 HydrophobicContact CD2-CD1 4.28Å; L552-L555 VanDerWaalsContact O-CB 3.29Å; L552-L555 WeakPolarHBondContact O-CB 3.23Å; L552-L555 WeakPolarHBondContact O-CG 3.42Å; L552-L555 PolarHBondContact O-N 3.05Å; K553-L555 PolarHBondContact O-N 2.99Å; K553-L555 VanDerWaalsContact O-N 3.13Å; L555-G557 PolarHBondContact O-N 3.47Å; L555-G557 VanDerWaalsContact O-N 3.14Å; L555-V558 PolarHBondContact O-N 2.87Å
556A86.2Confident89Confident52 Ų5264 Ų6443%0.4336%0.36SS..THydrogen-bonded Turntrans-61.4118.3177.500000110.1K553 V558K553-A556 VanDerWaalsContact O-CB 3.25Å; K553-A556 WeakPolarHBondContact O-CB 3.19Å; K553-A556 PolarHBondContact O-N 2.59Å; A556-V558 VanDerWaalsContact C-N 3.27Å; A556-V558 PolarHBondContact O-N 3.29Å
557G84.7Confident88.7Confident87 Ų8765.1 Ų65.190%0.89737%0.368SS*.THydrogen-bonded Turntrans79.9-1-176.500000115.3L555L555-G557 PolarHBondContact O-N 3.47Å; L555-G557 VanDerWaalsContact O-N 3.14Å
558V88.7Confident88.2Confident52 Ų5260.4 Ų60.432%0.31535%0.345SS..SBendtrans-89.4129.5177.1-178.30000109.8F513 K554 L555 A556 C560F513-V558 HydrophobicContact CB-CG1 4.39Å; K554-V558 WeakPolarHBondContact O-CG2 3.42Å; L555-V558 PolarHBondContact O-N 2.87Å; A556-V558 VanDerWaalsContact C-N 3.27Å; A556-V558 PolarHBondContact O-N 3.29Å; V558-C560 PolarHBondContact O-N 3.23Å; V558-C560 VanDerWaalsContact O-N 3.11Å
559P89.6Confident87.2Confident121 Ų12160 Ų6079%0.78635%0.353SS*.  trans-58.5116.8172.6-23.834000111.1
560C90.9Very high86Confident43 Ų4366.1 Ų66.129%0.29139%0.385SS..EExtended strand (participates in β ladder)trans-136.8151.8178.959.10000111.5R512 F513 V558R512-C560 CarbonylContact O-C 3.6Å; R512-C560 VanDerWaalsContact O-CA 3.23Å; R512-C560 WeakPolarHBondContact O-CA 3.45Å; R512-C560 WeakPolarHBondContact O-CB 3.47Å; F513-C560 HydrophobicContact CB-CB 3.97Å; V558-C560 PolarHBondContact O-N 3.23Å; V558-C560 VanDerWaalsContact O-N 3.11Å
561Q92Very high84.8Confident95 Ų9565.3 Ų65.344%0.44438%0.375SS..EExtended strand (participates in β ladder)trans-95.3132.1167.6-71177-12.700108.7R512 Y563R512-Q561 HydrophobicContact CB-CB 4.32Å; R512-Q561 PolarHBondContact N-O 3.46Å; R512-Q561 PolarHBondContact O-N 3.49Å; Q561-Y563 HydrophobicContact CB-CE2 4.05Å; Q561-Y563 PolarHBondContact OE1-OH 3.27Å
562V92.2Very high83.2Confident61 Ų6166.1 Ų66.137%0.3739%0.39SS..EExtended strand (participates in β ladder)trans-109.9123.1-177.7-170.10000109.3V509 L510 Y511 T542 V564V509-V562 HydrophobicContact CG1-CG1 3.76Å; L510-V562 CarbonylContact O-C 3.58Å; L510-V562 WeakPolarHBondContact O-CA 3.48Å; Y511-V562 HydrophobicContact CD1-CG1 4.27Å; Y511-V562 HydrophobicContact CD1-CG2 3.79Å; Y511-V562 HydrophobicContact CE1-CG1 4.06Å; Y511-V562 HydrophobicContact CE1-CG2 3.97Å; T542-V562 HydrophobicContact CG2-CG1 4.1Å; V562-V564 HydrophobicContact CG1-CG2 4.06Å
563Y92.2Very high82.2Confident68 Ų6874.5 Ų74.527%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-108.2135.6173.1-58.2-93.3000108.6V509 L510 R512 Q561V509-Y563 CarbonylContact C-O 3.58Å; V509-Y563 WeakPolarHBondContact CA-O 3.19Å; L510-Y563 HydrophobicContact CD2-CD2 4.43Å; L510-Y563 PolarHBondContact N-O 2.95Å; L510-Y563 PolarHBondContact O-N 3.02Å; R512-Y563 HydrophobicContact CB-CE2 4.01Å; Q561-Y563 HydrophobicContact CB-CE2 4.05Å; Q561-Y563 PolarHBondContact OE1-OH 3.27Å
564V90.4Very high81.8Confident45 Ų4573.5 Ų73.527%0.27344%0.435SS..EExtended strand (participates in β ladder)trans-130.7137.4-177.4-1750000109.7L507 A508 V509 I538 T542 V562L507-V564 HydrophobicContact CD1-CG1 3.42Å; L507-V564 VanDerWaalsContact CD1-CG1 3.42Å; L507-V564 HydrophobicContact CD2-CG1 3.83Å; L507-V564 HydrophobicContact CG-CG1 3.67Å; A508-V564 WeakPolarHBondContact O-CA 3.35Å; V509-V564 HydrophobicContact CG1-CG2 4.39Å; V509-V564 HydrophobicContact CG2-CG1 4.45Å; V509-V564 HydrophobicContact CG2-CG2 4.48Å; I538-V564 HydrophobicContact CG2-CG1 3.85Å; I538-V564 HydrophobicContact CG2-CG2 4.44Å; T542-V564 HydrophobicContact CG2-CG2 3.91Å; V562-V564 HydrophobicContact CG1-CG2 4.06Å
565R89.1Confident81.7Confident101 Ų10170 Ų7038%0.38142%0.422SS..EExtended strand (participates in β ladder)trans-142.3129.9176.2-179.9176.4176.4-179-2.3111.5A508 V567 L587A508-R565 PolarHBondContact N-O 2.95Å; A508-R565 PolarHBondContact O-N 3.23Å; R565-V567 PolarHBondContact O-N 2.89Å; R565-L587 HydrophobicContact CB-CD1 3.87Å; R565-L587 HydrophobicContact CB-CD2 4.15Å
566T88Confident81.7Confident43 Ų4373.4 Ų73.426%0.26444%0.443SS..EExtended strand (participates in β ladder)trans-75.4121168.2-48.60000108.9Y506 A532Y506-T566 WeakPolarHBondContact O-CA 3.48Å; A532-T566 HydrophobicContact CB-CG2 4.5Å; A532-T566 PolarHBondContact O-OG1 2.85Å
567V83.5Confident81.9Confident45 Ų4574.1 Ų74.127%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-89.8-43.1-173.1-174.10000111.1Y506 A508 R565 L575 A583Y506-V567 PolarHBondContact O-N 3.03Å; A508-V567 HydrophobicContact CB-CG2 3.72Å; R565-V567 PolarHBondContact O-N 2.89Å; V567-L575 HydrophobicContact CB-CD1 4.15Å; V567-L575 HydrophobicContact CG1-CD1 3.62Å; V567-A583 HydrophobicContact CB-CB 4.26Å; V567-A583 HydrophobicContact CG1-CB 3.55Å; V567-A583 HydrophobicContact CG2-CB 3.62Å
568A73.8Confident82.1Confident19 Ų1974.4 Ų74.416%0.15742%0.418CS..EExtended strand (participates in β ladder)trans-145.9143.4176.200000109.1H505 Y506 L575H505-A568 WeakPolarHBondContact CA-O 3.19Å; Y506-A568 HydrophobicContact CD2-CB 4.32Å; Y506-A568 PolarHBondContact N-O 3.15Å; A568-L575 HydrophobicContact CB-CD1 3.94Å; A568-L575 HydrophobicContact CB-CD2 4.31Å; A568-L575 HydrophobicContact CB-CG 4.24Å
569A63.8Low82.3Confident49 Ų4976.1 Ų76.141%0.40542%0.423SS..  trans-121.6152.8178.100000111.6H505H505-A569 VanDerWaalsContact ND1-CA 3.33Å; H505-A569 WeakPolarHBondContact ND1-CA 3.12Å; H505-A569 WeakPolarHBondContact ND1-CB 3.4Å
570N63.3Low82.3Confident129 Ų12970.3 Ų70.369%0.6939%0.385SS*.SBendtrans65.156.1169.5-60.7-7.5000115.5D504 H505 A572D504-N570 PolarHBondContact O-N 2.94Å; H505-N570 PolarHBondContact CE1-OD1 3.29Å; N570-A572 PolarHBondContact O-N 3.16Å
571N60.4Low82.4Confident89 Ų8969.1 Ų69.148%0.47638%0.376SS..SBendtrans50.130.4172.3-73.5-29000114.6D504D504-N571 WeakPolarHBondContact CA-OD1 3.29Å; D504-N571 PolarHBondContact O-N 3.17Å; D504-N571 VanDerWaalsContact OD1-CG 3.3Å; D504-N571 PolarHBondContact OD1-ND2 3.37Å; D504-N571 PolarHBondContact OD1-OD1 3.04Å
572A58Low82.3Confident54 Ų5471.4 Ų71.445%0.44638%0.38SS..  trans-53155164.100000109.5N570N570-A572 PolarHBondContact O-N 3.16Å
573Q71.5Confident82.2Confident176 Ų17669 Ų6982%0.82237%0.366SS*.SBendtrans-38.1135.8-179.7-88.7-169.7-18.600111.7L575Q573-L575 PolarHBondContact O-N 3.19Å; Q573-L575 VanDerWaalsContact O-N 3.15Å
574P81.5Confident82.1Confident106 Ų10665.8 Ų65.869%0.68835%0.354SS*.PPolyproline II helixtrans-48124.1-179-26.732.4000111T576P574-T576 PolarHBondContact O-N 3.11Å
575L86.5Confident82Confident32 Ų3267 Ų6717%0.16836%0.357CS..PPolyproline II helixtrans-68.2136.2178.6-66.8-176.1000109.8Y506 V567 A568 Q573 Q579Y506-L575 HydrophobicContact CD1-CB 4.23Å; Y506-L575 HydrophobicContact CD1-CD1 3.87Å; Y506-L575 HydrophobicContact CD1-CG 4.32Å; Y506-L575 HydrophobicContact CD2-CD1 3.9Å; Y506-L575 HydrophobicContact CD2-CG 4.01Å; Y506-L575 HydrophobicContact CE1-CB 3.86Å; Y506-L575 HydrophobicContact CE1-CD1 4.34Å; Y506-L575 HydrophobicContact CE1-CG 4.31Å; Y506-L575 HydrophobicContact CE2-CB 4.24Å; Y506-L575 HydrophobicContact CE2-CD1 4.38Å; Y506-L575 HydrophobicContact CE2-CG 4.01Å; Y506-L575 HydrophobicContact CG-CD1 3.62Å; Y506-L575 HydrophobicContact CG-CG 4.16Å; Y506-L575 PolarHBondContact OH-N 2.91Å; V567-L575 HydrophobicContact CB-CD1 4.15Å; V567-L575 HydrophobicContact CG1-CD1 3.62Å; A568-L575 HydrophobicContact CB-CD1 3.94Å; A568-L575 HydrophobicContact CB-CD2 4.31Å; A568-L575 HydrophobicContact CB-CG 4.24Å; Q573-L575 PolarHBondContact O-N 3.19Å; Q573-L575 VanDerWaalsContact O-N 3.15Å; L575-Q579 HydrophobicContact CB-CB 4.29Å; L575-Q579 HydrophobicContact CD2-CB 4.32Å
576T89.2Confident82Confident75 Ų7567 Ų6746%0.4636%0.361SS..PPolyproline II helixtrans-69.8159.5171.570.50000110.6P574 D578 Q579 C580P574-T576 PolarHBondContact O-N 3.11Å; T576-D578 VanDerWaalsContact C-N 3.26Å; T576-D578 PolarHBondContact O-N 2.91Å; T576-Q579 WeakPolarHBondContact O-CB 3.41Å; T576-Q579 PolarHBondContact O-N 3.48Å; T576-Q579 VanDerWaalsContact O-N 3.08Å; T576-Q579 WeakPolarHBondContact OG1-CG 3.49Å; T576-Q579 PolarHBondContact OG1-N 2.9Å; T576-Q579 PolarHBondContact OG1-OE1 3.48Å; T576-C580 PolarHBondContact O-N 3.01Å; T576-C580 PolarHBondContact O-SG 2.68Å; T576-C580 VanDerWaalsContact O-SG 3.39Å
577Q90.1Very high82.1Confident66 Ų6665.5 Ų65.531%0.30835%0.351SS..Hα-helixtrans-51.8-46.9173.9-178.3-176.3-6100111.6Y478 Y490 Q579 C580 L581Y478-Q577 HydrophobicContact CE1-CB 4.43Å; Y478-Q577 HydrophobicContact CE1-CG 3.82Å; Y478-Q577 WeakPolarHBondContact OH-CA 3.23Å; Y478-Q577 WeakPolarHBondContact OH-CB 3.45Å; Y490-Q577 VanDerWaalsContact CZ-NE2 3.27Å; Y490-Q577 PolarHBondContact OH-NE2 3.15Å; Q577-Q579 VanDerWaalsContact C-N 3.29Å; Q577-Q579 PolarHBondContact O-N 3.15Å; Q577-C580 WeakPolarHBondContact O-CB 3.47Å; Q577-C580 PolarHBondContact O-N 2.84Å; Q577-C580 VanDerWaalsContact O-N 3.15Å; Q577-L581 HydrophobicContact CG-CD1 3.87Å; Q577-L581 HydrophobicContact CG-CG 4.27Å; Q577-L581 WeakPolarHBondContact O-CG 3.29Å; Q577-L581 PolarHBondContact O-N 3.2Å
578D90.1Very high82.4Confident94 Ų9465.2 Ų65.250%0.50335%0.345SS..Hα-helixtrans-62.1-35.8179.6-78.8-8.7000112.9T576 R582T576-D578 VanDerWaalsContact C-N 3.26Å; T576-D578 PolarHBondContact O-N 2.91Å; D578-R582 WeakPolarHBondContact O-CB 3.31Å; D578-R582 WeakPolarHBondContact O-CG 3.42Å; D578-R582 PolarHBondContact O-N 3.45Å; D578-R582 PolarHBondContact O-NE 2.96Å; D578-R582 VanDerWaalsContact O-NE 3.16Å
579Q91.6Very high83Confident87 Ų8767.9 Ų67.941%0.40736%0.359SS..Hα-helixtrans-67.6-43.1175.9-72.7170.8-37.500110.7L575 T576 Q577 A583L575-Q579 HydrophobicContact CB-CB 4.29Å; L575-Q579 HydrophobicContact CD2-CB 4.32Å; T576-Q579 WeakPolarHBondContact O-CB 3.41Å; T576-Q579 PolarHBondContact O-N 3.48Å; T576-Q579 VanDerWaalsContact O-N 3.08Å; T576-Q579 WeakPolarHBondContact OG1-CG 3.49Å; T576-Q579 PolarHBondContact OG1-N 2.9Å; T576-Q579 PolarHBondContact OG1-OE1 3.48Å; Q577-Q579 VanDerWaalsContact C-N 3.29Å; Q577-Q579 PolarHBondContact O-N 3.15Å; Q579-A583 WeakPolarHBondContact O-CB 3.37Å; Q579-A583 PolarHBondContact O-N 3.42Å
580C91.6Very high84.1Confident0 Ų070 Ų700%036%0.36CS..Hα-helixtrans-61.1-50.1176.8-67.60000111.7Y478 V526 T576 Q577 A583 L584Y478-C580 HydrophobicContact CD2-CB 3.87Å; Y478-C580 HydrophobicContact CE2-CB 3.69Å; V526-C580 HydrophobicContact CB-CB 4.5Å; V526-C580 HydrophobicContact CG1-CB 4.17Å; V526-C580 HydrophobicContact CG2-CB 4.12Å; T576-C580 PolarHBondContact O-N 3.01Å; T576-C580 PolarHBondContact O-SG 2.68Å; T576-C580 VanDerWaalsContact O-SG 3.39Å; Q577-C580 WeakPolarHBondContact O-CB 3.47Å; Q577-C580 PolarHBondContact O-N 2.84Å; Q577-C580 VanDerWaalsContact O-N 3.15Å; C580-A583 WeakPolarHBondContact O-CB 3.35Å; C580-A583 PolarHBondContact O-N 3.43Å; C580-L584 PolarHBondContact O-N 2.58Å
581L91.2Very high85.1Confident17 Ų1764.4 Ų64.49%0.08933%0.332CS..Hα-helixtrans-69.3-36.5-178.8-63.7-179.8000112.2Y478 V480 L488 Y490 Q577 A583 L584 H585Y478-L581 HydrophobicContact CG-CD2 4.46Å; V480-L581 HydrophobicContact CG2-CD2 3.85Å; L488-L581 HydrophobicContact CD1-CB 4.27Å; Y490-L581 HydrophobicContact CD1-CD1 3.87Å; Y490-L581 HydrophobicContact CD2-CD1 4.28Å; Y490-L581 HydrophobicContact CE1-CD1 3.87Å; Y490-L581 HydrophobicContact CE2-CD1 4.28Å; Y490-L581 HydrophobicContact CG-CD1 4.11Å; Y490-L581 HydrophobicContact CG-CD2 4.29Å; Q577-L581 HydrophobicContact CG-CD1 3.87Å; Q577-L581 HydrophobicContact CG-CG 4.27Å; Q577-L581 WeakPolarHBondContact O-CG 3.29Å; Q577-L581 PolarHBondContact O-N 3.2Å; L581-A583 VanDerWaalsContact C-N 3.32Å; L581-A583 PolarHBondContact O-N 3.21Å; L581-L584 WeakPolarHBondContact O-CB 3.41Å; L581-L584 PolarHBondContact O-N 2.92Å; L581-H585 PolarHBondContact O-N 2.98Å
582R90.4Very high86.1Confident144 Ų14463.8 Ų63.854%0.54333%0.331SS..Hα-helixtrans-63-37.8172.3-81.5-177.2-93.8-179.2-13.2112.4D578 L584 H585 H586D578-R582 WeakPolarHBondContact O-CB 3.31Å; D578-R582 WeakPolarHBondContact O-CG 3.42Å; D578-R582 PolarHBondContact O-N 3.45Å; D578-R582 PolarHBondContact O-NE 2.96Å; D578-R582 VanDerWaalsContact O-NE 3.16Å; R582-L584 VanDerWaalsContact C-N 3.33Å; R582-L584 PolarHBondContact O-N 2.87Å; R582-H585 PolarHBondContact O-N 3.27Å; R582-H586 PolarHBondContact O-N 3.47Å
583A89.4Confident86.5Confident9 Ų964 Ų647%0.07433%0.329CS..Hα-helixtrans-62.3-42176.100000111.7V567 Q579 C580 L581 H586 L587V567-A583 HydrophobicContact CB-CB 4.26Å; V567-A583 HydrophobicContact CG1-CB 3.55Å; V567-A583 HydrophobicContact CG2-CB 3.62Å; Q579-A583 WeakPolarHBondContact O-CB 3.37Å; Q579-A583 PolarHBondContact O-N 3.42Å; C580-A583 WeakPolarHBondContact O-CB 3.35Å; C580-A583 PolarHBondContact O-N 3.43Å; L581-A583 VanDerWaalsContact C-N 3.32Å; L581-A583 PolarHBondContact O-N 3.21Å; A583-H586 PolarHBondContact O-N 2.94Å; A583-L587 WeakPolarHBondContact O-CB 3.43Å; A583-L587 PolarHBondContact O-N 3.3Å
584L90.5Very high85.2Confident2 Ų265.7 Ų65.71%0.0133%0.334CS..Hα-helixtrans-61.7-46.6173.1-108.9161000112.3V480 A508 L510 V526 C580 L581 R582 H586 L587 R588V480-L584 HydrophobicContact CB-CD1 4.41Å; V480-L584 HydrophobicContact CG2-CD1 3.7Å; A508-L584 HydrophobicContact CB-CG 4.35Å; L510-L584 HydrophobicContact CB-CD2 4.49Å; L510-L584 HydrophobicContact CD1-CD2 3.89Å; V526-L584 HydrophobicContact CG2-CD1 3.32Å; V526-L584 HydrophobicContact CG2-CG 4.11Å; C580-L584 PolarHBondContact O-N 2.58Å; L581-L584 WeakPolarHBondContact O-CB 3.41Å; L581-L584 PolarHBondContact O-N 2.92Å; R582-L584 VanDerWaalsContact C-N 3.33Å; R582-L584 PolarHBondContact O-N 2.87Å; L584-H586 PolarHBondContact O-N 3.14Å; L584-L587 WeakPolarHBondContact O-CB 3.48Å; L584-L587 PolarHBondContact O-N 2.84Å; L584-R588 PolarHBondContact O-N 3.43Å
585H89.1Confident83Confident70 Ų7066.5 Ų66.532%0.32434%0.337SS..Hα-helixtrans-59.6-45.7176.6179.2-89.1000111.8L488 L581 R582 L587 R588 V589L488-H585 HydrophobicContact CD1-CB 4.42Å; L581-H585 PolarHBondContact O-N 2.98Å; R582-H585 PolarHBondContact O-N 3.27Å; H585-L587 VanDerWaalsContact C-N 3.32Å; H585-L587 PolarHBondContact O-N 2.94Å; H585-R588 WeakPolarHBondContact O-CB 3.24Å; H585-R588 PolarHBondContact O-N 3.4Å; H585-V589 WeakPolarHBondContact O-CG2 3.44Å; H585-V589 PolarHBondContact O-N 2.71Å
586H88.5Confident80.5Confident101 Ų10168.4 Ų68.447%0.46836%0.358SS..Hα-helixtrans-61.9-39.7175.7-72.6159.2000112.5R582 A583 L584 R588 V589 Q590R582-H586 PolarHBondContact O-N 3.47Å; A583-H586 PolarHBondContact O-N 2.94Å; L584-H586 PolarHBondContact O-N 3.14Å; H586-R588 VanDerWaalsContact C-N 3.3Å; H586-R588 PolarHBondContact O-N 3.48Å; H586-V589 PolarHBondContact O-N 2.9Å; H586-Q590 WeakPolarHBondContact O-CB 3.26Å; H586-Q590 VanDerWaalsContact O-CG 3.31Å; H586-Q590 WeakPolarHBondContact O-CG 3.16Å; H586-Q590 PolarHBondContact O-N 3.32Å
587L89.8Confident77.9Confident12 Ų1271.1 Ų71.16%0.06338%0.376CS..Hα-helixtrans-61.8-39.7175.9-170.559.6000111.3A508 L510 R565 A583 L584 H585 Q590 S591A508-L587 HydrophobicContact CB-CD2 4.23Å; L510-L587 HydrophobicContact CB-CD2 3.86Å; L510-L587 HydrophobicContact CB-CG 4.16Å; L510-L587 HydrophobicContact CD2-CG 4.49Å; R565-L587 HydrophobicContact CB-CD1 3.87Å; R565-L587 HydrophobicContact CB-CD2 4.15Å; A583-L587 WeakPolarHBondContact O-CB 3.43Å; A583-L587 PolarHBondContact O-N 3.3Å; L584-L587 WeakPolarHBondContact O-CB 3.48Å; L584-L587 PolarHBondContact O-N 2.84Å; H585-L587 VanDerWaalsContact C-N 3.32Å; H585-L587 PolarHBondContact O-N 2.94Å; L587-Q590 PolarHBondContact O-N 3.15Å; L587-S591 WeakPolarHBondContact O-CB 3.47Å; L587-S591 PolarHBondContact O-N 2.99Å
588R89.5Confident75.1Confident39 Ų3975.5 Ų75.515%0.14740%0.397CS..Hα-helixtrans-60.4-50.6173-177.8-169.9175.8-172.13.5111.9Q483 L510 F522 L584 H585 H586 Q590 S591 T592Q483-R588 PolarHBondContact O-NH1 3.45Å; Q483-R588 PolarHBondContact O-NH2 2.66Å; Q483-R588 VanDerWaalsContact O-NH2 3.14Å; L510-R588 HydrophobicContact CD1-CB 4.2Å; L510-R588 VanDerWaalsContact CD2-CA 3.45Å; L510-R588 HydrophobicContact CD2-CB 3.93Å; L510-R588 HydrophobicContact CD2-CG 4.47Å; F522-R588 HydrophobicContact CB-CG 4.49Å; F522-R588 HydrophobicContact CD1-CG 4.17Å; F522-R588 HydrophobicContact CD2-CG 4.32Å; F522-R588 HydrophobicContact CE1-CG 4.47Å; F522-R588 HydrophobicContact CG-CG 4.08Å; L584-R588 PolarHBondContact O-N 3.43Å; H585-R588 WeakPolarHBondContact O-CB 3.24Å; H585-R588 PolarHBondContact O-N 3.4Å; H586-R588 VanDerWaalsContact C-N 3.3Å; H586-R588 PolarHBondContact O-N 3.48Å; R588-Q590 VanDerWaalsContact C-N 3.29Å; R588-Q590 PolarHBondContact O-N 3.21Å; R588-S591 PolarHBondContact O-N 3.32Å; R588-S591 VanDerWaalsContact O-N 3.11Å; R588-S591 PolarHBondContact O-OG 3.03Å; R588-T592 PolarHBondContact O-N 3.43Å; R588-T592 PolarHBondContact O-OG1 3.27Å
589V87.1Confident72.5Confident74 Ų7476 Ų7645%0.44841%0.414SS..Hα-helixtrans-61.1-38.5179.7175.60000111.7H585 H586 T592 S593H585-V589 WeakPolarHBondContact O-CG2 3.44Å; H585-V589 PolarHBondContact O-N 2.71Å; H586-V589 PolarHBondContact O-N 2.9Å; V589-T592 PolarHBondContact O-N 3.47Å; V589-T592 PolarHBondContact O-OG1 3.37Å; V589-S593 PolarHBondContact O-N 3.02Å
590Q86.6Confident69.6Low93 Ų9384.4 Ų84.444%0.43545%0.449SS..Hα-helixtrans-68.1-34.1175.9-73176.9-28.500112.6H586 L587 R588 T592 S593H586-Q590 WeakPolarHBondContact O-CB 3.26Å; H586-Q590 VanDerWaalsContact O-CG 3.31Å; H586-Q590 WeakPolarHBondContact O-CG 3.16Å; H586-Q590 PolarHBondContact O-N 3.32Å; L587-Q590 PolarHBondContact O-N 3.15Å; R588-Q590 VanDerWaalsContact C-N 3.29Å; R588-Q590 PolarHBondContact O-N 3.21Å; Q590-T592 VanDerWaalsContact C-N 3.3Å; Q590-T592 PolarHBondContact O-N 3.27Å; Q590-S593 PolarHBondContact O-OG 3.11Å
591S84.9Confident68.5Low12 Ų1288.6 Ų88.68%0.08447%0.472CS..Hα-helixtrans-71.5-22.417975.60000113.9R512 F522 L587 R588R512-S591 PolarHBondContact NH1-O 3.44Å; F522-S591 WeakPolarHBondContact CE1-OG 3.2Å; L587-S591 WeakPolarHBondContact O-CB 3.47Å; L587-S591 PolarHBondContact O-N 2.99Å; R588-S591 PolarHBondContact O-N 3.32Å; R588-S591 VanDerWaalsContact O-N 3.11Å; R588-S591 PolarHBondContact O-OG 3.03Å
592T81.4Confident67.4Low76 Ų7692.4 Ų92.447%0.46649%0.492SS..Hα-helixtrans-94-22.4179.554.10000113F522 R588 V589 Q590F522-T592 HydrophobicContact CE1-CG2 4.26Å; F522-T592 HydrophobicContact CE2-CG2 4.14Å; F522-T592 HydrophobicContact CZ-CG2 3.51Å; R588-T592 PolarHBondContact O-N 3.43Å; R588-T592 PolarHBondContact O-OG1 3.27Å; V589-T592 PolarHBondContact O-N 3.47Å; V589-T592 PolarHBondContact O-OG1 3.37Å; Q590-T592 VanDerWaalsContact C-N 3.3Å; Q590-T592 PolarHBondContact O-N 3.27Å
593S65.4Low66.1Low58 Ų5889.5 Ų89.541%0.40649%0.489SS..SBendtrans-77.3126.7173.172.40000110V589 Q590 T595V589-S593 PolarHBondContact O-N 3.02Å; Q590-S593 PolarHBondContact O-OG 3.11Å; S593-T595 PolarHBondContact O-N 2.63Å
594K45.4Very low64.7Low213 Ų21394.2 Ų94.293%0.92651%0.513SS*.SBendtrans-66.824.9-174-84.3-175174.7179.20115.3
595T35.2Very low63.1Low123 Ų123100 Ų10076%0.75555%0.545SS*.  trans-138.769.1-174.948.90000111.8S593S593-T595 PolarHBondContact O-N 2.63Å
596A33.8Very low61.3Low72 Ų72102 Ų10260%0.59556%0.56SS**SBendtrans-153.9141.4157.600000109.7Q598A596-Q598 PolarHBondContact O-N 2.71Å
597P33.8Very low59.4Low131 Ų131102.1 Ų102.185%0.85157%0.566SS**  trans-70.6130.7-169.130.2-33.4000110.4A599P597-A599 PolarHBondContact O-N 3.23Å; P597-A599 VanDerWaalsContact O-N 3.11Å
598Q31.9Very low57.1Low159 Ų159109 Ų10974%0.74361%0.605SS**  trans-63.3110.2170.4-73.2177.2-10.600108.9A596 K600A596-Q598 PolarHBondContact O-N 2.71Å; Q598-K600 PolarHBondContact O-N 2.77Å
599A34.5Very low54.4Low105 Ų105114.8 Ų114.887%0.86864%0.643SS**  trans-69.6116.7151.500000106.5P597P597-A599 PolarHBondContact O-N 3.23Å; P597-A599 VanDerWaalsContact O-N 3.11Å
600K32.6Very low51.4Low262 Ų262118.5 Ų118.5100%1.13966%0.661SS**  trans-82.60171-88.5-173.6174.8-178.90110.6Q598Q598-K600 PolarHBondContact O-N 2.77Å

Retrieved 600 of 600 residues in 250.8 ms (Link to these results)

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