A0A077Z0N1_TRITR Loading...

Actin-depolymerizing factor 2, isoform c

AlphaFold DB , UniProt , Accession A0A077Z0N1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M34.7Very low45Very low228 Ų228140.2 Ų140.2100%1.12370%0.695SS**  099.30-153166.2-172.600107.7M3M1-M3 HydrophobicContact CG-CG 4.18Å; M1-M3 PolarHBondContact O-N 3.21Å
2R25.7Very low48.3Very low247 Ų247129.1 Ų129.193%0.93264%0.639SS**  trans-79108.6164.5-82.5-177.5-176.7170.51.2105.5
3M33.4Very low51.1Low136 Ų136121.7 Ų121.767%0.6760%0.603SS**  trans-137.286.3164.7-70.8-68.8-83.200106.6M1 E5M1-M3 HydrophobicContact CG-CG 4.18Å; M1-M3 PolarHBondContact O-N 3.21Å; M3-E5 PolarHBondContact O-N 3.25Å
4V32.8Very low53.6Low148 Ų148113 Ų11390%0.89756%0.56SS**  trans-82.594.5159.9173.50000104.6
5E31.3Very low55.8Low166 Ų166107.1 Ų107.178%0.77653%0.53SS*.  trans-154.4112169-111171.9-178.800108.8M3M3-E5 PolarHBondContact O-N 3.25Å
6G35.3Very low57.6Low69 Ų69100.8 Ų100.871%0.71150%0.5SS*.  trans86.9100.9168.200000116K8G6-K8 PolarHBondContact O-N 3.33Å
7K45Very low59.2Low215 Ų21595.6 Ų95.694%0.93547%0.474SS*.  trans-63.472.2165.4-76.4178.9173176.90111.1
8K49.5Very low60.3Low148 Ų14893.3 Ų93.364%0.64347%0.466SS*.  trans-93.2119.2159.1-71.1-169.7176.8-170.80107.3G6 L10 T30G6-K8 PolarHBondContact O-N 3.33Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.04Å; K8-T30 HydrophobicContact CB-CG2 4.27Å; K8-T30 HydrophobicContact CD-CG2 4.45Å
9D62.7Low61.1Low98 Ų9895.5 Ų95.552%0.52448%0.48SS..  trans-7086.9175.7-80.7-4.6000109T30 N31D9-T30 WeakPolarHBondContact O-CA 3.49Å; D9-N31 HydrophobicContact CB-CB 4.43Å; D9-N31 WeakPolarHBondContact CB-ND2 3.42Å; D9-N31 PolarHBondContact O-N 3.46Å; D9-N31 PolarHBondContact OD2-ND2 3.26Å
10L69.2Low61.7Low72 Ų7295 Ų9538%0.37748%0.478SS..EExtended strand (participates in β ladder)trans-68.6128.3172.1-69.7165.6000109K8 I13 A28 T30K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.04Å; L10-I13 HydrophobicContact CD1-CD1 3.87Å; L10-I13 HydrophobicContact CD1-CG1 4.4Å; L10-A28 HydrophobicContact CD2-CB 4.13Å; L10-T30 HydrophobicContact CD2-CG2 3.64Å; L10-T30 HydrophobicContact CG-CG2 4.47Å
11R75.1Confident62.3Low15 Ų1599.3 Ų99.36%0.05749%0.494CS..EExtended strand (participates in β ladder)trans-87-45.1176.4-83.7-73.9-169.2170.82.6111.5V29 N31 L34 D73R11-V29 PolarHBondContact N-O 3.21Å; R11-N31 WeakPolarHBondContact CD-OD1 3.24Å; R11-N31 WeakPolarHBondContact CG-OD1 3.46Å; R11-N31 PolarHBondContact NE-OD1 3.45Å; R11-L34 HydrophobicContact CB-CD1 3.75Å; R11-L34 HydrophobicContact CG-CD1 3.74Å; R11-D73 PolarHBondContact O-N 3.24Å
12Y84.4Confident64.5Low7 Ų794.8 Ų94.83%0.02747%0.47CS..EExtended strand (participates in β ladder)trans-152.9155.6174.560.1-93.5000112.3I14 V29 L34 F53 E56 V71 F72Y12-I14 HydrophobicContact CD2-CG1 4.38Å; Y12-I14 HydrophobicContact CE2-CD1 4.47Å; Y12-V29 HydrophobicContact CD1-CB 4.26Å; Y12-V29 HydrophobicContact CD2-CB 4.13Å; Y12-V29 HydrophobicContact CD2-CG2 4.15Å; Y12-V29 HydrophobicContact CE1-CB 3.82Å; Y12-V29 HydrophobicContact CE1-CG1 3.84Å; Y12-V29 HydrophobicContact CE1-CG2 4.29Å; Y12-V29 HydrophobicContact CE2-CB 3.68Å; Y12-V29 HydrophobicContact CE2-CG1 4.43Å; Y12-V29 HydrophobicContact CE2-CG2 3.37Å; Y12-V29 HydrophobicContact CG-CB 4.41Å; Y12-V29 VanDerWaalsContact CZ-CG2 3.46Å; Y12-V29 PolarHBondContact N-O 3.11Å; Y12-V29 PolarHBondContact O-N 3.13Å; Y12-V29 WeakPolarHBondContact OH-CG2 3.31Å; Y12-L34 HydrophobicContact CE1-CD1 4.08Å; Y12-L34 HydrophobicContact CE1-CD2 4.32Å; Y12-F53 HydrophobicContact CD1-CB 3.93Å; Y12-F53 HydrophobicContact CD1-CD2 4.32Å; Y12-F53 HydrophobicContact CD1-CG 4.49Å; Y12-F53 HydrophobicContact CD2-CB 4.44Å; Y12-F53 AromaticContact CD2-CD2 3.56Å; Y12-F53 HydrophobicContact CD2-CD2 3.56Å; Y12-F53 HydrophobicContact CD2-CE2 4.33Å; Y12-F53 HydrophobicContact CD2-CG 4.44Å; Y12-F53 HydrophobicContact CE1-CB 3.95Å; Y12-F53 HydrophobicContact CE2-CB 4.45Å; Y12-F53 HydrophobicContact CE2-CD2 4.06Å; Y12-F53 HydrophobicContact CG-CB 4.18Å; Y12-F53 AromaticContact CG-CD2 3.69Å; Y12-F53 HydrophobicContact CG-CD2 3.69Å; Y12-F53 HydrophobicContact CG-CG 4.27Å; Y12-E56 WeakPolarHBondContact CE2-OE2 3.34Å; Y12-E56 PolarHBondContact OH-OE2 3.26Å; Y12-V71 CarbonylContact C-O 3.54Å; Y12-V71 WeakPolarHBondContact CA-O 3.47Å; Y12-V71 VanDerWaalsContact CB-O 3.28Å; Y12-V71 WeakPolarHBondContact CB-O 3.3Å; Y12-F72 HydrophobicContact CD1-CD2 4.09Å; Y12-F72 AromaticContact CD1-CE2 3.95Å; Y12-F72 HydrophobicContact CD1-CE2 3.95Å; Y12-F72 HydrophobicContact CG-CD2 4.17Å; Y12-F72 HydrophobicContact CG-CE2 4.48Å
13I85.6Confident67.2Low33 Ų3386.1 Ų86.117%0.16945%0.445CS..EExtended strand (participates in β ladder)trans-134.2130.7178.2-50.7175.3000107.4L10 F15 V25 R27 A28 A70 V71L10-I13 HydrophobicContact CD1-CD1 3.87Å; L10-I13 HydrophobicContact CD1-CG1 4.4Å; I13-F15 HydrophobicContact CB-CD2 4.49Å; I13-F15 HydrophobicContact CB-CE2 3.73Å; I13-F15 HydrophobicContact CB-CZ 3.97Å; I13-F15 HydrophobicContact CD1-CZ 4.34Å; I13-F15 HydrophobicContact CG2-CD1 4.44Å; I13-F15 HydrophobicContact CG2-CD2 4.08Å; I13-F15 HydrophobicContact CG2-CE1 3.94Å; I13-F15 HydrophobicContact CG2-CE2 3.51Å; I13-F15 HydrophobicContact CG2-CZ 3.44Å; I13-F15 VanDerWaalsContact CG2-CZ 3.44Å; I13-V25 HydrophobicContact CG2-CB 4.47Å; I13-V25 HydrophobicContact CG2-CG1 3.62Å; I13-V25 HydrophobicContact CG2-CG2 4.14Å; I13-R27 CarbonylContact C-O 3.46Å; I13-R27 VanDerWaalsContact CA-O 3.29Å; I13-R27 WeakPolarHBondContact CA-O 3.28Å; I13-R27 WeakPolarHBondContact CG2-O 3.01Å; I13-A28 HydrophobicContact CG1-CB 4.38Å; I13-A28 HydrophobicContact CG2-CB 4.34Å; I13-A70 CarbonylContact O-C 3.49Å; I13-A70 VanDerWaalsContact O-CA 3.26Å; I13-A70 WeakPolarHBondContact O-CA 3.48Å; I13-V71 PolarHBondContact N-O 3.31Å; I13-V71 PolarHBondContact O-N 3.35Å
14I85.5Confident69.6Low0 Ų082.8 Ų82.80%043%0.429CS..EExtended strand (participates in β ladder)trans-108124.9175-58175.1000107.3Y12 E26 R27 F53 E56 L57 L60 Y69 A70Y12-I14 HydrophobicContact CD2-CG1 4.38Å; Y12-I14 HydrophobicContact CE2-CD1 4.47Å; I14-E26 PolarHBondContact O-N 3.13Å; I14-R27 HydrophobicContact CB-CB 4.08Å; I14-R27 HydrophobicContact CD1-CB 4.46Å; I14-R27 HydrophobicContact CG1-CB 4.47Å; I14-R27 PolarHBondContact N-O 2.83Å; I14-R27 PolarHBondContact O-N 3.14Å; I14-R27 VanDerWaalsContact O-N 3.08Å; I14-F53 HydrophobicContact CD1-CD2 4.38Å; I14-F53 HydrophobicContact CD1-CE2 4.22Å; I14-F53 HydrophobicContact CG1-CE2 4.06Å; I14-E56 HydrophobicContact CD1-CG 4.41Å; I14-L57 HydrophobicContact CD1-CD1 4.24Å; I14-L57 HydrophobicContact CG1-CD1 4.5Å; I14-L57 HydrophobicContact CG2-CD1 4.49Å; I14-L60 HydrophobicContact CB-CD1 4.38Å; I14-L60 HydrophobicContact CD1-CD1 3.54Å; I14-L60 HydrophobicContact CG2-CD1 4.08Å; I14-Y69 CarbonylContact C-O 3.45Å; I14-Y69 WeakPolarHBondContact CA-O 3.27Å; I14-A70 HydrophobicContact CG1-CB 4.24Å
15F86.4Confident72.1Confident25 Ų2579.6 Ų79.611%0.1141%0.409CS..EExtended strand (participates in β ladder)trans-110.1142178.1-52.9-101000109.7I13 V23 I24 V25 Y69 V71 L120I13-F15 HydrophobicContact CB-CD2 4.49Å; I13-F15 HydrophobicContact CB-CE2 3.73Å; I13-F15 HydrophobicContact CB-CZ 3.97Å; I13-F15 HydrophobicContact CD1-CZ 4.34Å; I13-F15 HydrophobicContact CG2-CD1 4.44Å; I13-F15 HydrophobicContact CG2-CD2 4.08Å; I13-F15 HydrophobicContact CG2-CE1 3.94Å; I13-F15 HydrophobicContact CG2-CE2 3.51Å; I13-F15 HydrophobicContact CG2-CZ 3.44Å; I13-F15 VanDerWaalsContact CG2-CZ 3.44Å; F15-V23 HydrophobicContact CB-CG1 3.96Å; F15-V23 HydrophobicContact CD1-CG1 4.11Å; F15-V23 HydrophobicContact CG-CG1 4.41Å; F15-I24 CarbonylContact C-O 3.57Å; F15-I24 WeakPolarHBondContact CA-O 3.35Å; F15-V25 HydrophobicContact CD1-CG2 3.7Å; F15-V25 HydrophobicContact CE1-CG2 3.51Å; F15-V25 HydrophobicContact CZ-CG2 4.43Å; F15-Y69 PolarHBondContact N-O 3.37Å; F15-Y69 PolarHBondContact O-N 2.87Å; F15-Y69 VanDerWaalsContact O-O 3.08Å; F15-V71 HydrophobicContact CD2-CG2 4.38Å; F15-V71 HydrophobicContact CE2-CB 4.17Å; F15-V71 HydrophobicContact CE2-CG2 3.63Å; F15-V71 HydrophobicContact CZ-CG2 4.49Å; F15-L120 HydrophobicContact CZ-CD2 4.36Å
16A85.4Confident74.5Confident6 Ų675.2 Ų75.25%0.0539%0.389CS..EExtended strand (participates in β ladder)trans-126.1151.1171.500000110.3I24 E26 Y109A16-I24 HydrophobicContact CB-CG1 4.45Å; A16-I24 PolarHBondContact N-O 3.44Å; A16-I24 WeakPolarHBondContact O-CG1 3.47Å; A16-I24 PolarHBondContact O-N 3.05Å; A16-E26 HydrophobicContact CB-CB 4.32Å; A16-E26 WeakPolarHBondContact CB-OE2 3.16Å; A16-Y109 WeakPolarHBondContact CA-OH 3.44Å
17I83.8Confident76.7Confident12 Ų1278.3 Ų78.36%0.06238%0.379CS..EExtended strand (participates in β ladder)trans-93.2116.1171.2-56.8-178.8000107.6E22 V23 Y69 V108 Y109I17-E22 CarbonylContact C-O 3.54Å; I17-E22 VanDerWaalsContact CA-O 3.3Å; I17-E22 WeakPolarHBondContact CA-O 3.43Å; I17-V23 HydrophobicContact CG1-CG2 4.22Å; I17-Y69 HydrophobicContact CD1-CE2 4.07Å; I17-V108 HydrophobicContact CD1-CG1 3.91Å; I17-V108 HydrophobicContact CG2-CG1 3.95Å; I17-Y109 HydrophobicContact CB-CE2 3.96Å; I17-Y109 HydrophobicContact CD1-CD1 4.08Å; I17-Y109 HydrophobicContact CD1-CD2 4.02Å; I17-Y109 HydrophobicContact CD1-CE1 4.13Å; I17-Y109 HydrophobicContact CD1-CE2 4.15Å; I17-Y109 HydrophobicContact CD1-CG 4.01Å; I17-Y109 HydrophobicContact CG1-CD1 4.42Å; I17-Y109 HydrophobicContact CG1-CD2 4.45Å; I17-Y109 HydrophobicContact CG1-CE1 3.95Å; I17-Y109 HydrophobicContact CG1-CE2 4.07Å; I17-Y109 PolarHBondContact N-OH 2.59Å
18V80.4Confident78.5Confident55 Ų5570.4 Ų70.433%0.33335%0.354SS..EExtended strand (participates in β ladder)trans-98.4140173.4174.10000109.1D20 K21 E22 I24V18-D20 PolarHBondContact O-N 3.4Å; V18-K21 PolarHBondContact O-N 2.73Å; V18-K21 VanDerWaalsContact O-N 3.16Å; V18-E22 PolarHBondContact N-O 2.85Å; V18-E22 PolarHBondContact O-N 2.85Å; V18-E22 VanDerWaalsContact O-N 3.08Å; V18-I24 HydrophobicContact CB-CD1 4.38Å; V18-I24 HydrophobicContact CB-CG1 4.44Å; V18-I24 HydrophobicContact CG2-CD1 3.33Å; V18-I24 HydrophobicContact CG2-CG1 3.65Å
19D73.9Confident80Confident135 Ų13563.9 Ų63.972%0.72233%0.326SS*.THydrogen-bonded Turntrans53.626.4179.5-60-33.9000115.2K21D19-K21 WeakPolarHBondContact O-CG 3.17Å; D19-K21 PolarHBondContact O-N 2.8Å
20D72.8Confident80.6Confident84 Ų8459.9 Ų59.945%0.44931%0.306SS..THydrogen-bonded Turntrans55.215.7-176.7-60.5-37000114.3V18 V108V18-D20 PolarHBondContact O-N 3.4Å; D20-V108 HydrophobicContact CB-CG1 4.18Å; D20-V108 HydrophobicContact CB-CG2 4Å
21K75.1Confident80.5Confident187 Ų18758.1 Ų58.181%0.81330%0.297SS*.THydrogen-bonded Turntrans-131-33.1-170.4-73.3174-175.2178.40113.7V18 D19V18-K21 PolarHBondContact O-N 2.73Å; V18-K21 VanDerWaalsContact O-N 3.16Å; D19-K21 WeakPolarHBondContact O-CG 3.17Å; D19-K21 PolarHBondContact O-N 2.8Å
22E80.7Confident79.9Confident133 Ų13364.8 Ų64.862%0.62133%0.329SS*.EExtended strand (participates in β ladder)trans-122.6129.7-171.8-63.7-171.3174.200111.2I17 V18I17-E22 CarbonylContact C-O 3.54Å; I17-E22 VanDerWaalsContact CA-O 3.3Å; I17-E22 WeakPolarHBondContact CA-O 3.43Å; V18-E22 PolarHBondContact N-O 2.85Å; V18-E22 PolarHBondContact O-N 2.85Å; V18-E22 VanDerWaalsContact O-N 3.08Å
23V82Confident78.9Confident65 Ų6569.4 Ų69.439%0.39435%0.354SS..EExtended strand (participates in β ladder)trans-87.7112.9172.1-176.90000107.5F15 I17 I116F15-V23 HydrophobicContact CB-CG1 3.96Å; F15-V23 HydrophobicContact CD1-CG1 4.11Å; F15-V23 HydrophobicContact CG-CG1 4.41Å; I17-V23 HydrophobicContact CG1-CG2 4.22Å; V23-I116 HydrophobicContact CB-CD1 4.36Å; V23-I116 HydrophobicContact CG1-CD1 3.63Å; V23-I116 HydrophobicContact CG1-CG1 4.15Å; V23-I116 HydrophobicContact CG2-CD1 3.79Å; V23-I116 HydrophobicContact CG2-CG1 4.03Å
24I84.2Confident77.7Confident65 Ų6568.5 Ų68.533%0.33335%0.349SS..EExtended strand (participates in β ladder)trans-105.7151.1175.564.4159.3000110.5F15 A16 V18 E26F15-I24 CarbonylContact C-O 3.57Å; F15-I24 WeakPolarHBondContact CA-O 3.35Å; A16-I24 HydrophobicContact CB-CG1 4.45Å; A16-I24 PolarHBondContact N-O 3.44Å; A16-I24 WeakPolarHBondContact O-CG1 3.47Å; A16-I24 PolarHBondContact O-N 3.05Å; V18-I24 HydrophobicContact CB-CD1 4.38Å; V18-I24 HydrophobicContact CB-CG1 4.44Å; V18-I24 HydrophobicContact CG2-CD1 3.33Å; V18-I24 HydrophobicContact CG2-CG1 3.65Å; I24-E26 PolarHBondContact O-N 3.2Å
25V85Confident76.3Confident81 Ų8176.8 Ų76.849%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-80.4111166.1175.30000107.1I13 F15 A28I13-V25 HydrophobicContact CG2-CB 4.47Å; I13-V25 HydrophobicContact CG2-CG1 3.62Å; I13-V25 HydrophobicContact CG2-CG2 4.14Å; F15-V25 HydrophobicContact CD1-CG2 3.7Å; F15-V25 HydrophobicContact CE1-CG2 3.51Å; F15-V25 HydrophobicContact CZ-CG2 4.43Å; V25-A28 HydrophobicContact CG1-CB 4.02Å
26E81.6Confident74.8Confident74 Ų7477.2 Ų77.235%0.34639%0.391SS..EExtended strand (participates in β ladder)trans-85.5-31.5177-163.7166.7150.500111.7I14 A16 I24 R68I14-E26 PolarHBondContact O-N 3.13Å; A16-E26 HydrophobicContact CB-CB 4.32Å; A16-E26 WeakPolarHBondContact CB-OE2 3.16Å; I24-E26 PolarHBondContact O-N 3.2Å; E26-R68 VanDerWaalsContact CD-CZ 3.42Å; E26-R68 IonicContact OE1-CZ 3.64Å; E26-R68 IonicContact OE1-NH1 3.36Å; E26-R68 PolarHBondContact OE1-NH1 2.87Å; E26-R68 IonicContact OE1-NH2 3.83Å; E26-R68 PolarHBondContact OE1-NH2 2.87Å; E26-R68 IonicContact OE2-CZ 3.76Å; E26-R68 IonicContact OE2-NE 3.38Å; E26-R68 IonicContact OE2-NH1 2.64Å; E26-R68 PolarHBondContact OE2-NH1 2.91Å; E26-R68 IonicContact OE2-NH2 2.69Å; E26-R68 PolarHBondContact OE2-NH2 3.17Å
27R82.1Confident73.3Confident134 Ų13484.2 Ų84.251%0.50642%0.421SS..EExtended strand (participates in β ladder)trans-147.2140.4175.8-152.269.8166.4170.83.4111.5I13 I14 V29 E56 L60I13-R27 CarbonylContact C-O 3.46Å; I13-R27 VanDerWaalsContact CA-O 3.29Å; I13-R27 WeakPolarHBondContact CA-O 3.28Å; I13-R27 WeakPolarHBondContact CG2-O 3.01Å; I14-R27 HydrophobicContact CB-CB 4.08Å; I14-R27 HydrophobicContact CD1-CB 4.46Å; I14-R27 HydrophobicContact CG1-CB 4.47Å; I14-R27 PolarHBondContact N-O 2.83Å; I14-R27 PolarHBondContact O-N 3.14Å; I14-R27 VanDerWaalsContact O-N 3.08Å; R27-V29 HydrophobicContact CG-CG2 4.03Å; R27-E56 WeakPolarHBondContact CD-OE1 3.44Å; R27-E56 WeakPolarHBondContact CG-OE1 3.35Å; R27-E56 IonicContact CZ-OE1 2.59Å; R27-E56 IonicContact NE-OE1 3.87Å; R27-E56 PolarHBondContact NE-OE1 3.28Å; R27-E56 IonicContact NH2-OE1 2.99Å; R27-L60 HydrophobicContact CB-CD1 4.41Å
28A82.9Confident71.7Confident49 Ų4989.9 Ų89.941%0.40546%0.461SS..EExtended strand (participates in β ladder)trans-137.9120.9171.100000108L10 I13 V25L10-A28 HydrophobicContact CD2-CB 4.13Å; I13-A28 HydrophobicContact CG1-CB 4.38Å; I13-A28 HydrophobicContact CG2-CB 4.34Å; V25-A28 HydrophobicContact CG1-CB 4.02Å
29V80Confident70.3Confident11 Ų1194.6 Ų94.67%0.06748%0.484CS..EExtended strand (participates in β ladder)trans-119.2128.7-173.8-179.50000109.4R11 Y12 R27 D33 L34R11-V29 PolarHBondContact N-O 3.21Å; Y12-V29 HydrophobicContact CD1-CB 4.26Å; Y12-V29 HydrophobicContact CD2-CB 4.13Å; Y12-V29 HydrophobicContact CD2-CG2 4.15Å; Y12-V29 HydrophobicContact CE1-CB 3.82Å; Y12-V29 HydrophobicContact CE1-CG1 3.84Å; Y12-V29 HydrophobicContact CE1-CG2 4.29Å; Y12-V29 HydrophobicContact CE2-CB 3.68Å; Y12-V29 HydrophobicContact CE2-CG1 4.43Å; Y12-V29 HydrophobicContact CE2-CG2 3.37Å; Y12-V29 HydrophobicContact CG-CB 4.41Å; Y12-V29 VanDerWaalsContact CZ-CG2 3.46Å; Y12-V29 PolarHBondContact N-O 3.11Å; Y12-V29 PolarHBondContact O-N 3.13Å; Y12-V29 WeakPolarHBondContact OH-CG2 3.31Å; R27-V29 HydrophobicContact CG-CG2 4.03Å; V29-D33 HydrophobicContact CG1-CB 3.85Å; V29-L34 HydrophobicContact CG1-CD1 3.98Å; V29-L34 HydrophobicContact CG1-CD2 4.21Å; V29-L34 HydrophobicContact CG1-CG 3.75Å
30T75.9Confident69.1Low15 Ų1592.3 Ų92.39%0.09247%0.472CS..EExtended strand (participates in β ladder)trans-95168179.466.80000112K8 D9 L10 E32 D33K8-T30 HydrophobicContact CB-CG2 4.27Å; K8-T30 HydrophobicContact CD-CG2 4.45Å; D9-T30 WeakPolarHBondContact O-CA 3.49Å; L10-T30 HydrophobicContact CD2-CG2 3.64Å; L10-T30 HydrophobicContact CG-CG2 4.47Å; T30-E32 PolarHBondContact O-N 2.82Å; T30-E32 PolarHBondContact OG1-N 2.91Å; T30-D33 WeakPolarHBondContact CB-OD2 3.08Å; T30-D33 PolarHBondContact N-OD2 3.34Å; T30-D33 PolarHBondContact O-N 2.88Å; T30-D33 VanDerWaalsContact OG1-CG 3.26Å; T30-D33 PolarHBondContact OG1-N 3.23Å; T30-D33 PolarHBondContact OG1-OD2 2.91Å
31N67Low68.2Low34 Ų3490.1 Ų90.118%0.18247%0.47CS..THydrogen-bonded Turntrans-52.6-37168.5-81.5-24.7000113.2D9 R11 L34D9-N31 HydrophobicContact CB-CB 4.43Å; D9-N31 WeakPolarHBondContact CB-ND2 3.42Å; D9-N31 PolarHBondContact O-N 3.46Å; D9-N31 PolarHBondContact OD2-ND2 3.26Å; R11-N31 WeakPolarHBondContact CD-OD1 3.24Å; R11-N31 WeakPolarHBondContact CG-OD1 3.46Å; R11-N31 PolarHBondContact NE-OD1 3.45Å; N31-L34 PolarHBondContact O-N 3.46Å
32E62.5Low67.3Low156 Ų15684.1 Ų84.173%0.72944%0.444SS*.THydrogen-bonded Turntrans-70-39.6-175.2-63.1177176.700111.1T30 L34 Q35T30-E32 PolarHBondContact O-N 2.82Å; T30-E32 PolarHBondContact OG1-N 2.91Å; E32-L34 PolarHBondContact O-N 3.02Å; E32-Q35 PolarHBondContact O-N 3.1Å; E32-Q35 VanDerWaalsContact O-N 3.14Å
33D63.1Low66.1Low104 Ų10480 Ų8056%0.55643%0.433SS*.THydrogen-bonded Turntrans-64.2-28.3178.5-59.6-48.3000112.6V29 T30 Q35V29-D33 HydrophobicContact CG1-CB 3.85Å; T30-D33 WeakPolarHBondContact CB-OD2 3.08Å; T30-D33 PolarHBondContact N-OD2 3.34Å; T30-D33 PolarHBondContact O-N 2.88Å; T30-D33 VanDerWaalsContact OG1-CG 3.26Å; T30-D33 PolarHBondContact OG1-N 3.23Å; T30-D33 PolarHBondContact OG1-OD2 2.91Å; D33-Q35 VanDerWaalsContact C-N 3.32Å
34L60.6Low65.1Low14 Ų1482.1 Ų82.17%0.07344%0.442CS..THydrogen-bonded Turntrans-87.31.8180-70.2162.3000113.5R11 Y12 V29 N31 E32 L36 A49 M52R11-L34 HydrophobicContact CB-CD1 3.75Å; R11-L34 HydrophobicContact CG-CD1 3.74Å; Y12-L34 HydrophobicContact CE1-CD1 4.08Å; Y12-L34 HydrophobicContact CE1-CD2 4.32Å; V29-L34 HydrophobicContact CG1-CD1 3.98Å; V29-L34 HydrophobicContact CG1-CD2 4.21Å; V29-L34 HydrophobicContact CG1-CG 3.75Å; N31-L34 PolarHBondContact O-N 3.46Å; E32-L34 PolarHBondContact O-N 3.02Å; L34-L36 HydrophobicContact CB-CD1 4Å; L34-L36 HydrophobicContact CB-CD2 4.46Å; L34-L36 HydrophobicContact CB-CG 3.77Å; L34-L36 HydrophobicContact CD1-CD1 4.28Å; L34-L36 PolarHBondContact O-N 3.25Å; L34-A49 HydrophobicContact CD1-CB 3.9Å; L34-M52 HydrophobicContact CD2-CB 3.9Å; L34-M52 HydrophobicContact CD2-CG 4.03Å
35Q57.3Low64.1Low173 Ų17379.9 Ų79.981%0.80843%0.431SS*.THydrogen-bonded Turntrans50.429.1-179.3-57.7-178.37.200114E32 D33 K37E32-Q35 PolarHBondContact O-N 3.1Å; E32-Q35 VanDerWaalsContact O-N 3.14Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; Q35-K37 PolarHBondContact O-N 3.22Å; Q35-K37 VanDerWaalsContact O-N 3.12Å
36L55.2Low63.2Low35 Ų3576.1 Ų76.118%0.18341%0.408CS..  trans-70.4111.8-177.9-62.2170.6000108.8L34 N45 A49L34-L36 HydrophobicContact CB-CD1 4Å; L34-L36 HydrophobicContact CB-CD2 4.46Å; L34-L36 HydrophobicContact CB-CG 3.77Å; L34-L36 HydrophobicContact CD1-CD1 4.28Å; L34-L36 PolarHBondContact O-N 3.25Å; L36-N45 HydrophobicContact CD2-CB 4.24Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.48Å; L36-A49 HydrophobicContact CD1-CB 4.41Å
37K53.2Low62.7Low153 Ų15377.2 Ų77.267%0.66541%0.411SS*.  trans-71.2138.9173-68.6-178.2-179.8176.10108.7Q35 D39 D40 N45Q35-K37 PolarHBondContact O-N 3.22Å; Q35-K37 VanDerWaalsContact O-N 3.12Å; K37-D39 PolarHBondContact O-N 2.93Å; K37-D40 PolarHBondContact O-N 3.43Å; K37-N45 PolarHBondContact O-ND2 3.44Å
38S50.5Low62.2Low130 Ų13075.2 Ų75.291%0.90941%0.408SS*.THydrogen-bonded Turntrans-62.5-8.7179.647.10000114.5
39D49.8Very low61.8Low154 Ų15472.9 Ų72.982%0.82439%0.388SS*.THydrogen-bonded Turntrans-99.1-15.1-173.7-149.425.1000113.5K37K37-D39 PolarHBondContact O-N 2.93Å
40D48.8Very low61.8Low87 Ų8772.6 Ų72.647%0.46539%0.386SS..SBendtrans-78.3134.8176.4-64.8-45.4000110K37 F42 N45K37-D40 PolarHBondContact O-N 3.43Å; D40-F42 PolarHBondContact O-N 3.44Å; D40-N45 PolarHBondContact O-ND2 2.86Å
41G53.7Low61.9Low39 Ų3977.8 Ų77.840%0.40241%0.407SS..  trans-43133.8-173.700000112.8A43 D44 N45G41-A43 PolarHBondContact O-N 3.3Å; G41-D44 PolarHBondContact O-N 2.8Å; G41-N45 PolarHBondContact O-N 3.08Å; G41-N45 VanDerWaalsContact O-N 3.17Å
42F56.4Low62.5Low60 Ų6079.8 Ų79.826%0.26342%0.416SS..Hα-helixtrans-49.9-29.3-174-174.5-94.4000113.9D40 S46 K75 F76 T77 K87D40-F42 PolarHBondContact O-N 3.44Å; F42-S46 PolarHBondContact O-OG 2.95Å; F42-K75 HydrophobicContact CD1-CB 4.49Å; F42-K75 HydrophobicContact CE1-CB 3.75Å; F42-K75 HydrophobicContact CE2-CB 4.29Å; F42-K75 HydrophobicContact CE2-CD 4.22Å; F42-K75 HydrophobicContact CZ-CB 3.64Å; F42-K75 HydrophobicContact CZ-CD 4.23Å; F42-K75 HydrophobicContact CZ-CG 4.3Å; F42-F76 WeakPolarHBondContact CE1-O 3.25Å; F42-T77 HydrophobicContact CB-CG2 4.29Å; F42-T77 HydrophobicContact CD1-CG2 3.55Å; F42-T77 HydrophobicContact CE1-CG2 4.23Å; F42-T77 HydrophobicContact CG-CG2 4.27Å; F42-K87 HydrophobicContact CD1-CB 4.47Å; F42-K87 HydrophobicContact CD1-CG 4.13Å; F42-K87 HydrophobicContact CD2-CD 3.8Å; F42-K87 HydrophobicContact CD2-CG 4.18Å; F42-K87 HydrophobicContact CE1-CB 3.92Å; F42-K87 HydrophobicContact CE1-CG 4.09Å; F42-K87 HydrophobicContact CE2-CB 4.14Å; F42-K87 HydrophobicContact CE2-CD 3.91Å; F42-K87 HydrophobicContact CE2-CG 4.16Å; F42-K87 HydrophobicContact CG-CD 4.16Å; F42-K87 HydrophobicContact CG-CG 4.15Å; F42-K87 HydrophobicContact CZ-CB 3.72Å; F42-K87 HydrophobicContact CZ-CD 4.34Å; F42-K87 HydrophobicContact CZ-CG 4.09Å
43A56.9Low63.5Low48 Ų4872.3 Ų72.340%0.39738%0.382SS..Hα-helixtrans-81.9-37.4176.600000113.9G41 S46 K47G41-A43 PolarHBondContact O-N 3.3Å; A43-S46 PolarHBondContact O-N 3.37Å; A43-K47 PolarHBondContact O-N 3.47Å; A43-K47 VanDerWaalsContact O-N 3.13Å
44D59.4Low64.3Low109 Ų10968.4 Ų68.458%0.58336%0.361SS*.Hα-helixtrans-70.2-38.8-178.7-71.4-35.9000111.6G41 S46 K47 H48G41-D44 PolarHBondContact O-N 2.8Å; D44-S46 PolarHBondContact O-N 3.01Å; D44-K47 PolarHBondContact O-N 3.08Å; D44-K47 VanDerWaalsContact O-N 3.11Å; D44-H48 PolarHBondContact O-N 2.82Å
45N63.2Low65.3Low18 Ų1873.5 Ų73.510%0.09639%0.385CS..Hα-helixtrans-56.6-36.5172.8-86-25.8000112.2L36 K37 D40 G41 A49L36-N45 HydrophobicContact CD2-CB 4.24Å; L36-N45 WeakPolarHBondContact CD2-OD1 3.48Å; K37-N45 PolarHBondContact O-ND2 3.44Å; D40-N45 PolarHBondContact O-ND2 2.86Å; G41-N45 PolarHBondContact O-N 3.08Å; G41-N45 VanDerWaalsContact O-N 3.17Å; N45-A49 WeakPolarHBondContact O-CB 3.33Å; N45-A49 PolarHBondContact O-N 3.17Å; N45-A49 VanDerWaalsContact O-N 3.14Å
46S67Low66.5Low1 Ų167 Ų671%0.00735%0.354CS..Hα-helixtrans-74.2-38.8176.2-64.50000112.6F42 A43 D44 A49 Y50 K75F42-S46 PolarHBondContact O-OG 2.95Å; A43-S46 PolarHBondContact O-N 3.37Å; D44-S46 PolarHBondContact O-N 3.01Å; S46-A49 PolarHBondContact O-N 2.68Å; S46-Y50 WeakPolarHBondContact O-CB 3.42Å; S46-Y50 PolarHBondContact O-N 3.04Å; S46-K75 VanDerWaalsContact CB-O 3.23Å; S46-K75 WeakPolarHBondContact CB-O 3.47Å; S46-K75 WeakPolarHBondContact OG-CB 3.43Å; S46-K75 PolarHBondContact OG-O 2.93Å
47K70.6Confident67.7Low97 Ų9765.3 Ų65.342%0.42235%0.346SS..Hα-helixtrans-65.2-40.4177.6-169.5177.3-177.5179.70111.6A43 D44 Y50 K51A43-K47 PolarHBondContact O-N 3.47Å; A43-K47 VanDerWaalsContact O-N 3.13Å; D44-K47 PolarHBondContact O-N 3.08Å; D44-K47 VanDerWaalsContact O-N 3.11Å; K47-Y50 PolarHBondContact O-N 3Å; K47-K51 WeakPolarHBondContact O-CG 3.31Å; K47-K51 PolarHBondContact O-N 3.31Å
48H72.1Confident69Low93 Ų9360.7 Ų60.743%0.43133%0.325SS..Hα-helixtrans-65.9-50.4175.7-175.473.9000111.7D44 Y50 K51 M52D44-H48 PolarHBondContact O-N 2.82Å; H48-Y50 PolarHBondContact O-N 2.81Å; H48-K51 PolarHBondContact O-N 2.92Å; H48-K51 VanDerWaalsContact O-N 3.15Å; H48-M52 PolarHBondContact O-N 3.04Å; H48-M52 VanDerWaalsContact O-N 3.08Å
49A75.4Confident70.5Confident0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-57-38.6176.100000112.2L34 L36 N45 S46 F53 F72L34-A49 HydrophobicContact CD1-CB 3.9Å; L36-A49 HydrophobicContact CD1-CB 4.41Å; N45-A49 WeakPolarHBondContact O-CB 3.33Å; N45-A49 PolarHBondContact O-N 3.17Å; N45-A49 VanDerWaalsContact O-N 3.14Å; S46-A49 PolarHBondContact O-N 2.68Å; A49-F53 WeakPolarHBondContact O-CB 3.5Å; A49-F53 PolarHBondContact O-N 3.36Å; A49-F72 HydrophobicContact CB-CE2 4.44Å; A49-F72 HydrophobicContact CB-CZ 4.1Å
50Y78.6Confident71.8Confident5 Ų554.5 Ų54.52%0.0229%0.286CS..Hα-helixtrans-68.6-40.1178.3-171.1-99.4000112.5S46 K47 H48 F53 V54 F72 F74 F94 L136 H138 L141S46-Y50 WeakPolarHBondContact O-CB 3.42Å; S46-Y50 PolarHBondContact O-N 3.04Å; K47-Y50 PolarHBondContact O-N 3Å; H48-Y50 PolarHBondContact O-N 2.81Å; Y50-F53 HydrophobicContact CD2-CD1 4.11Å; Y50-F53 AromaticContact CE2-CD1 3.9Å; Y50-F53 HydrophobicContact CE2-CD1 3.9Å; Y50-F53 HydrophobicContact CE2-CE1 4.2Å; Y50-F53 WeakPolarHBondContact O-CB 3.24Å; Y50-F53 PolarHBondContact O-N 3.38Å; Y50-V54 HydrophobicContact CD1-CG2 4.06Å; Y50-V54 HydrophobicContact CE1-CG2 3.53Å; Y50-V54 HydrophobicContact CE2-CG2 4.4Å; Y50-V54 WeakPolarHBondContact O-CG2 2.92Å; Y50-V54 PolarHBondContact O-N 3.46Å; Y50-F72 HydrophobicContact CD2-CD1 4.37Å; Y50-F72 HydrophobicContact CD2-CD2 4.35Å; Y50-F72 HydrophobicContact CD2-CE1 4.11Å; Y50-F72 HydrophobicContact CD2-CE2 4.12Å; Y50-F72 HydrophobicContact CD2-CZ 4Å; Y50-F72 HydrophobicContact CG-CZ 4.48Å; Y50-F74 HydrophobicContact CD2-CE2 4.26Å; Y50-F94 HydrophobicContact CE2-CE2 4.34Å; Y50-F94 HydrophobicContact CE2-CZ 4.02Å; Y50-L136 VanDerWaalsContact CE1-O 3.24Å; Y50-L136 WeakPolarHBondContact CE1-O 3.21Å; Y50-L136 VanDerWaalsContact OH-CD2 3.25Å; Y50-L136 WeakPolarHBondContact OH-CD2 3.11Å; Y50-L136 PolarHBondContact OH-O 2.9Å; Y50-H138 HydrophobicContact CD1-CB 4.04Å; Y50-H138 HydrophobicContact CE1-CB 4.19Å; Y50-L141 HydrophobicContact CD2-CD1 4.39Å; Y50-L141 HydrophobicContact CE1-CD1 4.1Å; Y50-L141 HydrophobicContact CE2-CD1 3.4Å; Y50-L141 VanDerWaalsContact CE2-CD1 3.4Å; Y50-L141 WeakPolarHBondContact OH-CD1 3.12Å
51K79.8Confident72.9Confident124 Ų12450.4 Ų50.454%0.53926%0.264SS..Hα-helixtrans-60.9-48.2174.1-76.8-178.3174.8-168.90112K47 H48 F53 V54 E55K47-K51 WeakPolarHBondContact O-CG 3.31Å; K47-K51 PolarHBondContact O-N 3.31Å; H48-K51 PolarHBondContact O-N 2.92Å; H48-K51 VanDerWaalsContact O-N 3.15Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 3.34Å; K51-V54 PolarHBondContact O-N 2.81Å; K51-E55 PolarHBondContact O-N 2.83Å
52M79Confident73.7Confident75 Ų7550.3 Ų50.337%0.36926%0.263SS..Hα-helixtrans-59-42.8176.6-67.4-60.9-63.800111.3L34 H48 E55 E56L34-M52 HydrophobicContact CD2-CB 3.9Å; L34-M52 HydrophobicContact CD2-CG 4.03Å; H48-M52 PolarHBondContact O-N 3.04Å; H48-M52 VanDerWaalsContact O-N 3.08Å; M52-E55 PolarHBondContact O-N 3.46Å; M52-E56 WeakPolarHBondContact O-CB 3.04Å; M52-E56 PolarHBondContact O-N 2.96Å
53F83.1Confident74.3Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-59.2-46.1174.8165.6-106.9000112.4Y12 I14 A49 Y50 K51 E56 L57 A70 F72 F94 L136Y12-F53 HydrophobicContact CD1-CB 3.93Å; Y12-F53 HydrophobicContact CD1-CD2 4.32Å; Y12-F53 HydrophobicContact CD1-CG 4.49Å; Y12-F53 HydrophobicContact CD2-CB 4.44Å; Y12-F53 AromaticContact CD2-CD2 3.56Å; Y12-F53 HydrophobicContact CD2-CD2 3.56Å; Y12-F53 HydrophobicContact CD2-CE2 4.33Å; Y12-F53 HydrophobicContact CD2-CG 4.44Å; Y12-F53 HydrophobicContact CE1-CB 3.95Å; Y12-F53 HydrophobicContact CE2-CB 4.45Å; Y12-F53 HydrophobicContact CE2-CD2 4.06Å; Y12-F53 HydrophobicContact CG-CB 4.18Å; Y12-F53 AromaticContact CG-CD2 3.69Å; Y12-F53 HydrophobicContact CG-CD2 3.69Å; Y12-F53 HydrophobicContact CG-CG 4.27Å; I14-F53 HydrophobicContact CD1-CD2 4.38Å; I14-F53 HydrophobicContact CD1-CE2 4.22Å; I14-F53 HydrophobicContact CG1-CE2 4.06Å; A49-F53 WeakPolarHBondContact O-CB 3.5Å; A49-F53 PolarHBondContact O-N 3.36Å; Y50-F53 HydrophobicContact CD2-CD1 4.11Å; Y50-F53 AromaticContact CE2-CD1 3.9Å; Y50-F53 HydrophobicContact CE2-CD1 3.9Å; Y50-F53 HydrophobicContact CE2-CE1 4.2Å; Y50-F53 WeakPolarHBondContact O-CB 3.24Å; Y50-F53 PolarHBondContact O-N 3.38Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 3.34Å; F53-E56 PolarHBondContact O-N 3.27Å; F53-L57 HydrophobicContact CE1-CD2 4.31Å; F53-L57 HydrophobicContact CE2-CD1 4.22Å; F53-L57 HydrophobicContact CZ-CD1 4.17Å; F53-L57 HydrophobicContact CZ-CD2 4.09Å; F53-L57 WeakPolarHBondContact O-CB 3.3Å; F53-L57 PolarHBondContact O-N 2.78Å; F53-A70 HydrophobicContact CE2-CB 3.48Å; F53-A70 VanDerWaalsContact CE2-CB 3.48Å; F53-A70 HydrophobicContact CZ-CB 3.43Å; F53-A70 VanDerWaalsContact CZ-CB 3.43Å; F53-F72 HydrophobicContact CB-CD2 3.94Å; F53-F72 HydrophobicContact CB-CE2 3.8Å; F53-F72 AromaticContact CD1-CD2 3.9Å; F53-F72 HydrophobicContact CD1-CD2 3.9Å; F53-F72 HydrophobicContact CD1-CE2 4.39Å; F53-F72 HydrophobicContact CD2-CD2 4.22Å; F53-F72 AromaticContact CG-CD2 3.72Å; F53-F72 HydrophobicContact CG-CD2 3.72Å; F53-F72 HydrophobicContact CG-CE2 4.11Å; F53-F94 AromaticContact CE1-CD2 3.87Å; F53-F94 HydrophobicContact CE1-CD2 3.87Å; F53-F94 AromaticContact CE1-CE2 3.91Å; F53-F94 HydrophobicContact CE1-CE2 3.91Å; F53-F94 AromaticContact CZ-CD2 3.82Å; F53-F94 HydrophobicContact CZ-CD2 3.82Å; F53-F94 HydrophobicContact CZ-CE2 4.29Å; F53-L136 HydrophobicContact CE1-CD2 4.41Å
54V80.7Confident74.9Confident21 Ų2152.8 Ų52.813%0.12727%0.271CS..Hα-helixtrans-64.1-43179.1172.20000111.2Y50 K51 L57 K58 L136Y50-V54 HydrophobicContact CD1-CG2 4.06Å; Y50-V54 HydrophobicContact CE1-CG2 3.53Å; Y50-V54 HydrophobicContact CE2-CG2 4.4Å; Y50-V54 WeakPolarHBondContact O-CG2 2.92Å; Y50-V54 PolarHBondContact O-N 3.46Å; K51-V54 PolarHBondContact O-N 2.81Å; V54-L57 PolarHBondContact O-N 2.97Å; V54-K58 HydrophobicContact CG1-CD 4.42Å; V54-K58 VanDerWaalsContact O-CG 3.29Å; V54-K58 WeakPolarHBondContact O-CG 3.39Å; V54-K58 PolarHBondContact O-N 3.22Å; V54-L136 HydrophobicContact CG2-CB 4.43Å; V54-L136 HydrophobicContact CG2-CD2 4.33Å
55E81Confident75.4Confident121 Ų12154.5 Ų54.557%0.56527%0.273SS*.Hα-helixtrans-64.5-43.2177.3-72.3-177172.600112.3K51 M52 K58 T59K51-E55 PolarHBondContact O-N 2.83Å; M52-E55 PolarHBondContact O-N 3.46Å; E55-K58 PolarHBondContact O-N 3.11Å; E55-T59 WeakPolarHBondContact O-CB 3.24Å; E55-T59 PolarHBondContact O-N 3.05Å; E55-T59 PolarHBondContact O-OG1 3.02Å
56E82.4Confident75.9Confident37 Ų3755.3 Ų55.317%0.17328%0.277CS..Hα-helixtrans-66.7-42.3177-167.1166.5-147.800110.8Y12 I14 R27 M52 F53 K58 T59 L60Y12-E56 WeakPolarHBondContact CE2-OE2 3.34Å; Y12-E56 PolarHBondContact OH-OE2 3.26Å; I14-E56 HydrophobicContact CD1-CG 4.41Å; R27-E56 WeakPolarHBondContact CD-OE1 3.44Å; R27-E56 WeakPolarHBondContact CG-OE1 3.35Å; R27-E56 IonicContact CZ-OE1 2.59Å; R27-E56 IonicContact NE-OE1 3.87Å; R27-E56 PolarHBondContact NE-OE1 3.28Å; R27-E56 IonicContact NH2-OE1 2.99Å; M52-E56 WeakPolarHBondContact O-CB 3.04Å; M52-E56 PolarHBondContact O-N 2.96Å; F53-E56 PolarHBondContact O-N 3.27Å; E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 PolarHBondContact O-N 3.4Å; E56-T59 PolarHBondContact O-N 2.64Å; E56-L60 HydrophobicContact CG-CD1 3.93Å; E56-L60 HydrophobicContact CG-CG 4.3Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.24Å
57L81.2Confident76.7Confident0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-59.2-41.3175-17078.9000111.9I14 F53 V54 T61 A70 V96 L136I14-L57 HydrophobicContact CD1-CD1 4.24Å; I14-L57 HydrophobicContact CG1-CD1 4.5Å; I14-L57 HydrophobicContact CG2-CD1 4.49Å; F53-L57 HydrophobicContact CE1-CD2 4.31Å; F53-L57 HydrophobicContact CE2-CD1 4.22Å; F53-L57 HydrophobicContact CZ-CD1 4.17Å; F53-L57 HydrophobicContact CZ-CD2 4.09Å; F53-L57 WeakPolarHBondContact O-CB 3.3Å; F53-L57 PolarHBondContact O-N 2.78Å; V54-L57 PolarHBondContact O-N 2.97Å; L57-T61 VanDerWaalsContact O-CB 3.32Å; L57-T61 WeakPolarHBondContact O-CB 3.13Å; L57-T61 VanDerWaalsContact O-CG2 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 3.1Å; L57-T61 PolarHBondContact O-OG1 3.4Å; L57-A70 HydrophobicContact CD1-CB 4.11Å; L57-V96 HydrophobicContact CD1-CG2 4.14Å; L57-V96 HydrophobicContact CD2-CG2 3.85Å; L57-V96 HydrophobicContact CG-CG2 4.36Å; L57-L136 HydrophobicContact CD2-CD1 3.93Å; L57-L136 HydrophobicContact CD2-CD2 4.07Å
58K79.6Confident77.4Confident55 Ų5551.5 Ų51.524%0.23926%0.26CS..Hα-helixtrans-64.2-46.9174.8-76.6179.1-179.7-163.70112.4V54 E55 E56 L60 T61 G62 D63 F64 E133V54-K58 HydrophobicContact CG1-CD 4.42Å; V54-K58 VanDerWaalsContact O-CG 3.29Å; V54-K58 WeakPolarHBondContact O-CG 3.39Å; V54-K58 PolarHBondContact O-N 3.22Å; E55-K58 PolarHBondContact O-N 3.11Å; E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 PolarHBondContact O-N 3.4Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 PolarHBondContact O-N 3.27Å; K58-T61 WeakPolarHBondContact CA-OG1 3.48Å; K58-T61 PolarHBondContact O-N 2.88Å; K58-T61 PolarHBondContact O-OG1 2.84Å; K58-G62 PolarHBondContact O-N 2.97Å; K58-G62 VanDerWaalsContact O-N 3.13Å; K58-D63 PolarHBondContact O-N 3.04Å; K58-F64 HydrophobicContact CD-CE2 4.41Å; K58-F64 HydrophobicContact CG-CE2 3.8Å; K58-F64 HydrophobicContact CG-CZ 3.95Å; K58-E133 WeakPolarHBondContact CE-OE1 3.39Å; K58-E133 WeakPolarHBondContact CE-OE2 3.18Å; K58-E133 IonicContact NZ-OE1 3.87Å; K58-E133 PolarHBondContact NZ-OE1 2.76Å; K58-E133 IonicContact NZ-OE2 2.95Å; K58-E133 PolarHBondContact NZ-OE2 3.47Å
59T81.7Confident78.1Confident115 Ų11547.1 Ų47.171%0.70624%0.24SC*.Hα-helixtrans-58.9-44.3178.7-560000110.5E55 E56 G62E55-T59 WeakPolarHBondContact O-CB 3.24Å; E55-T59 PolarHBondContact O-N 3.05Å; E55-T59 PolarHBondContact O-OG1 3.02Å; E56-T59 PolarHBondContact O-N 2.64Å; T59-G62 PolarHBondContact O-N 2.83Å
60L77.6Confident78.6Confident40 Ų4047.1 Ų47.121%0.20924%0.24CC..Hα-helixtrans-71.4-39-179.8-80.1-177000113.2I14 R27 E56 K58 G62 R68I14-L60 HydrophobicContact CB-CD1 4.38Å; I14-L60 HydrophobicContact CD1-CD1 3.54Å; I14-L60 HydrophobicContact CG2-CD1 4.08Å; R27-L60 HydrophobicContact CB-CD1 4.41Å; E56-L60 HydrophobicContact CG-CD1 3.93Å; E56-L60 HydrophobicContact CG-CG 4.3Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.24Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 PolarHBondContact O-N 3.27Å; L60-G62 PolarHBondContact O-N 3.39Å; L60-R68 VanDerWaalsContact CB-CZ 3.49Å; L60-R68 VanDerWaalsContact CB-NH1 3.28Å; L60-R68 PolarHBondContact O-NE 3.26Å; L60-R68 VanDerWaalsContact O-NE 3.11Å; L60-R68 PolarHBondContact O-NH2 2.9Å
61T71.4Confident78.9Confident1 Ų147.6 Ų47.61%0.00624%0.244CC..Hα-helixtrans-77.5-1.8176.753.10000113.7L57 K58 F64 K65 D66 R68 V96L57-T61 VanDerWaalsContact O-CB 3.32Å; L57-T61 WeakPolarHBondContact O-CB 3.13Å; L57-T61 VanDerWaalsContact O-CG2 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 3.1Å; L57-T61 PolarHBondContact O-OG1 3.4Å; K58-T61 WeakPolarHBondContact CA-OG1 3.48Å; K58-T61 PolarHBondContact O-N 2.88Å; K58-T61 PolarHBondContact O-OG1 2.84Å; T61-F64 PolarHBondContact O-N 3.49Å; T61-K65 PolarHBondContact O-N 2.95Å; T61-D66 PolarHBondContact O-N 3.18Å; T61-D66 VanDerWaalsContact O-N 3.15Å; T61-R68 HydrophobicContact CG2-CB 4.2Å; T61-R68 HydrophobicContact CG2-CG 3.97Å; T61-V96 HydrophobicContact CG2-CG1 4.32Å
62G70.7Confident79.1Confident36 Ų3641.7 Ų41.737%0.37122%0.218SC..THydrogen-bonded Turntrans58.851.5176.600000112.3K58 T59 L60 K65K58-G62 PolarHBondContact O-N 2.97Å; K58-G62 VanDerWaalsContact O-N 3.13Å; T59-G62 PolarHBondContact O-N 2.83Å; L60-G62 PolarHBondContact O-N 3.39Å; G62-K65 WeakPolarHBondContact O-CD 3.29Å; G62-K65 WeakPolarHBondContact O-CG 3.39Å
63D69Low79.1Confident129 Ų12939.7 Ų39.769%0.6921%0.209SC*.THydrogen-bonded Turntrans61.349.7-172.3-57.1-46.2000112.7K58 K65K58-D63 PolarHBondContact O-N 3.04Å; D63-K65 PolarHBondContact O-N 3.48Å
64F68.8Low78.8Confident31 Ų3139.8 Ų39.814%0.13621%0.209CC..THydrogen-bonded Turntrans59.331.8176.9-63.5-83.3000114.1K58 T61 V96 P98 E133 L136K58-F64 HydrophobicContact CD-CE2 4.41Å; K58-F64 HydrophobicContact CG-CE2 3.8Å; K58-F64 HydrophobicContact CG-CZ 3.95Å; T61-F64 PolarHBondContact O-N 3.49Å; F64-V96 HydrophobicContact CD1-CG1 4.29Å; F64-V96 HydrophobicContact CE1-CG1 4.33Å; F64-P98 HydrophobicContact CB-CB 3.62Å; F64-P98 HydrophobicContact CB-CG 3.97Å; F64-P98 HydrophobicContact CD1-CB 4.04Å; F64-P98 HydrophobicContact CD1-CG 4.42Å; F64-P98 HydrophobicContact CG-CB 4.31Å; F64-P98 VanDerWaalsContact O-CB 3.23Å; F64-P98 WeakPolarHBondContact O-CB 3.39Å; F64-P98 WeakPolarHBondContact O-CG 3.3Å; F64-E133 HydrophobicContact CE2-CB 3.7Å; F64-E133 HydrophobicContact CE2-CG 3.85Å; F64-E133 WeakPolarHBondContact CE2-OE2 3.36Å; F64-E133 HydrophobicContact CZ-CB 3.68Å; F64-E133 HydrophobicContact CZ-CG 3.81Å; F64-L136 HydrophobicContact CE1-CD1 4.06Å; F64-L136 HydrophobicContact CZ-CD1 4.05Å
65K69.7Low78.3Confident146 Ų14640.4 Ų40.464%0.63521%0.21SC*.THydrogen-bonded Turntrans-92.6-10.9173.1-68.2179.5-175.9168.90113T61 G62 D63 A101T61-K65 PolarHBondContact O-N 2.95Å; G62-K65 WeakPolarHBondContact O-CD 3.29Å; G62-K65 WeakPolarHBondContact O-CG 3.39Å; D63-K65 PolarHBondContact O-N 3.48Å; K65-A101 VanDerWaalsContact O-CA 3.31Å; K65-A101 WeakPolarHBondContact O-CA 3.46Å
66D75.7Confident77.7Confident34 Ų3435.4 Ų35.418%0.18219%0.187CC..SBendtrans-128.6150.2-178-150.22.5000112.6T61 R105T61-D66 PolarHBondContact O-N 3.18Å; T61-D66 VanDerWaalsContact O-N 3.15Å; D66-R105 WeakPolarHBondContact OD1-CD 3.29Å; D66-R105 IonicContact OD1-CZ 3.55Å; D66-R105 IonicContact OD1-NE 3.08Å; D66-R105 IonicContact OD1-NH1 3.64Å; D66-R105 PolarHBondContact OD1-NH1 2.77Å; D66-R105 IonicContact OD2-CZ 3.53Å; D66-R105 IonicContact OD2-NH1 2.75Å; D66-R105 PolarHBondContact OD2-NH1 3.11Å
67C82Confident76.9Confident0 Ų037 Ų370%020%0.199CC..  trans-87.3142175.8-640000109.6V96 A101 Y109C67-V96 VanDerWaalsContact CA-O 3.32Å; C67-V96 WeakPolarHBondContact CA-O 3.44Å; C67-A101 WeakPolarHBondContact SG-CB 3.49Å; C67-Y109 VanDerWaalsContact C-CZ 3.5Å; C67-Y109 HydrophobicContact CB-CD1 3.97Å; C67-Y109 HydrophobicContact CB-CD2 3.41Å; C67-Y109 VanDerWaalsContact CB-CD2 3.41Å; C67-Y109 HydrophobicContact CB-CE1 4.25Å; C67-Y109 HydrophobicContact CB-CE2 3.66Å; C67-Y109 HydrophobicContact CB-CG 3.56Å; C67-Y109 WeakPolarHBondContact O-CE2 3.32Å; C67-Y109 PolarHBondContact O-OH 3.26Å
68R86.3Confident75.8Confident19 Ų1937.5 Ų37.57%0.07220%0.204CC..EExtended strand (participates in β ladder)trans-148.2158.7176.1-67.7-171.1179-138.72.9111.9E26 L60 T61 V96 Y109E26-R68 VanDerWaalsContact CD-CZ 3.42Å; E26-R68 IonicContact OE1-CZ 3.64Å; E26-R68 IonicContact OE1-NH1 3.36Å; E26-R68 PolarHBondContact OE1-NH1 2.87Å; E26-R68 IonicContact OE1-NH2 3.83Å; E26-R68 PolarHBondContact OE1-NH2 2.87Å; E26-R68 IonicContact OE2-CZ 3.76Å; E26-R68 IonicContact OE2-NE 3.38Å; E26-R68 IonicContact OE2-NH1 2.64Å; E26-R68 PolarHBondContact OE2-NH1 2.91Å; E26-R68 IonicContact OE2-NH2 2.69Å; E26-R68 PolarHBondContact OE2-NH2 3.17Å; L60-R68 VanDerWaalsContact CB-CZ 3.49Å; L60-R68 VanDerWaalsContact CB-NH1 3.28Å; L60-R68 PolarHBondContact O-NE 3.26Å; L60-R68 VanDerWaalsContact O-NE 3.11Å; L60-R68 PolarHBondContact O-NH2 2.9Å; T61-R68 HydrophobicContact CG2-CB 4.2Å; T61-R68 HydrophobicContact CG2-CG 3.97Å; R68-V96 PolarHBondContact N-O 3.22Å; R68-V96 VanDerWaalsContact N-O 3.13Å; R68-V96 WeakPolarHBondContact O-CB 3.49Å; R68-V96 PolarHBondContact O-N 2.85Å; R68-Y109 VanDerWaalsContact CA-CE1 3.42Å
69Y86.8Confident74.7Confident0 Ų040 Ų400%023%0.229CC..EExtended strand (participates in β ladder)trans-105144.3169.8-76.6-57.3000109.9I14 F15 I17 F93 F94 Q95 Y109 A113 I116I14-Y69 CarbonylContact C-O 3.45Å; I14-Y69 WeakPolarHBondContact CA-O 3.27Å; F15-Y69 PolarHBondContact N-O 3.37Å; F15-Y69 PolarHBondContact O-N 2.87Å; F15-Y69 VanDerWaalsContact O-O 3.08Å; I17-Y69 HydrophobicContact CD1-CE2 4.07Å; Y69-F93 AromaticContact CD1-CE1 3.85Å; Y69-F93 HydrophobicContact CD1-CE1 3.85Å; Y69-F93 AromaticContact CD1-CE2 3.68Å; Y69-F93 HydrophobicContact CD1-CE2 3.68Å; Y69-F93 AromaticContact CD1-CZ 3.1Å; Y69-F93 HydrophobicContact CD1-CZ 3.1Å; Y69-F93 AromaticContact CE1-CE1 3.83Å; Y69-F93 HydrophobicContact CE1-CE1 3.83Å; Y69-F93 HydrophobicContact CE1-CE2 4.34Å; Y69-F93 AromaticContact CE1-CZ 3.35Å; Y69-F93 HydrophobicContact CE1-CZ 3.35Å; Y69-F93 HydrophobicContact CG-CE2 4.13Å; Y69-F93 AromaticContact CG-CZ 3.9Å; Y69-F93 HydrophobicContact CG-CZ 3.9Å; Y69-F94 CarbonylContact C-O 3.59Å; Y69-F94 WeakPolarHBondContact CA-O 3.35Å; Y69-Q95 HydrophobicContact CD1-CB 4.1Å; Y69-Q95 HydrophobicContact CD1-CG 4.27Å; Y69-Q95 HydrophobicContact CE1-CB 3.75Å; Y69-Q95 HydrophobicContact CE1-CG 3.56Å; Y69-Y109 AromaticContact CD2-CD1 3.48Å; Y69-Y109 HydrophobicContact CD2-CD1 3.48Å; Y69-Y109 VanDerWaalsContact CD2-CD1 3.48Å; Y69-Y109 AromaticContact CD2-CE1 3.51Å; Y69-Y109 HydrophobicContact CD2-CE1 3.51Å; Y69-Y109 HydrophobicContact CE1-CD1 4.35Å; Y69-Y109 AromaticContact CE2-CD1 3.24Å; Y69-Y109 HydrophobicContact CE2-CD1 3.24Å; Y69-Y109 AromaticContact CE2-CE1 3.76Å; Y69-Y109 HydrophobicContact CE2-CE1 3.76Å; Y69-Y109 HydrophobicContact CE2-CG 4.13Å; Y69-Y109 HydrophobicContact CG-CD1 4.15Å; Y69-Y109 HydrophobicContact CG-CE1 4.18Å; Y69-Y109 AromaticContact CZ-CD1 3.73Å; Y69-Y109 PolarHBondContact OH-O 3.02Å; Y69-A113 HydrophobicContact CE1-CB 4.45Å; Y69-A113 WeakPolarHBondContact OH-CA 2.98Å; Y69-A113 WeakPolarHBondContact OH-CB 3.46Å; Y69-A113 PolarHBondContact OH-N 3.42Å; Y69-A113 VanDerWaalsContact OH-N 3.14Å; Y69-I116 HydrophobicContact CD2-CD1 3.25Å; Y69-I116 HydrophobicContact CE2-CD1 3.5Å; Y69-I116 HydrophobicContact CG-CD1 3.9Å
70A85.5Confident73.5Confident0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-141.2149.1172.100000110.9I13 I14 F53 L57 F93 F94I13-A70 CarbonylContact O-C 3.49Å; I13-A70 VanDerWaalsContact O-CA 3.26Å; I13-A70 WeakPolarHBondContact O-CA 3.48Å; I14-A70 HydrophobicContact CG1-CB 4.24Å; F53-A70 HydrophobicContact CE2-CB 3.48Å; F53-A70 VanDerWaalsContact CE2-CB 3.48Å; F53-A70 HydrophobicContact CZ-CB 3.43Å; F53-A70 VanDerWaalsContact CZ-CB 3.43Å; L57-A70 HydrophobicContact CD1-CB 4.11Å; A70-F93 CarbonylContact O-C 3.48Å; A70-F93 WeakPolarHBondContact O-CA 3.39Å; A70-F94 HydrophobicContact CB-CB 4.06Å; A70-F94 PolarHBondContact N-O 3.41Å; A70-F94 PolarHBondContact O-N 2.92Å
71V85.2Confident72.1Confident16 Ų1649.5 Ų49.510%0.09726%0.257CS..EExtended strand (participates in β ladder)trans-123.9128.1173.2177.10000106.4Y12 I13 F15 I91 V92 F93 L120Y12-V71 CarbonylContact C-O 3.54Å; Y12-V71 WeakPolarHBondContact CA-O 3.47Å; Y12-V71 VanDerWaalsContact CB-O 3.28Å; Y12-V71 WeakPolarHBondContact CB-O 3.3Å; I13-V71 PolarHBondContact N-O 3.31Å; I13-V71 PolarHBondContact O-N 3.35Å; F15-V71 HydrophobicContact CD2-CG2 4.38Å; F15-V71 HydrophobicContact CE2-CB 4.17Å; F15-V71 HydrophobicContact CE2-CG2 3.63Å; F15-V71 HydrophobicContact CZ-CG2 4.49Å; V71-I91 HydrophobicContact CG1-CG2 3.44Å; V71-I91 VanDerWaalsContact CG1-CG2 3.44Å; V71-V92 CarbonylContact C-O 3.49Å; V71-V92 WeakPolarHBondContact CA-O 3.36Å; V71-F93 HydrophobicContact CG2-CD2 3.78Å; V71-F93 HydrophobicContact CG2-CE2 4.49Å; V71-L120 HydrophobicContact CG2-CD1 3.52Å; V71-L120 HydrophobicContact CG2-CD2 4.4Å
72F82.9Confident71.3Confident0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-126.9130.6179-170.2-86.3000109.7Y12 A49 Y50 F53 F74 V92 F94Y12-F72 HydrophobicContact CD1-CD2 4.09Å; Y12-F72 AromaticContact CD1-CE2 3.95Å; Y12-F72 HydrophobicContact CD1-CE2 3.95Å; Y12-F72 HydrophobicContact CG-CD2 4.17Å; Y12-F72 HydrophobicContact CG-CE2 4.48Å; A49-F72 HydrophobicContact CB-CE2 4.44Å; A49-F72 HydrophobicContact CB-CZ 4.1Å; Y50-F72 HydrophobicContact CD2-CD1 4.37Å; Y50-F72 HydrophobicContact CD2-CD2 4.35Å; Y50-F72 HydrophobicContact CD2-CE1 4.11Å; Y50-F72 HydrophobicContact CD2-CE2 4.12Å; Y50-F72 HydrophobicContact CD2-CZ 4Å; Y50-F72 HydrophobicContact CG-CZ 4.48Å; F53-F72 HydrophobicContact CB-CD2 3.94Å; F53-F72 HydrophobicContact CB-CE2 3.8Å; F53-F72 AromaticContact CD1-CD2 3.9Å; F53-F72 HydrophobicContact CD1-CD2 3.9Å; F53-F72 HydrophobicContact CD1-CE2 4.39Å; F53-F72 HydrophobicContact CD2-CD2 4.22Å; F53-F72 AromaticContact CG-CD2 3.72Å; F53-F72 HydrophobicContact CG-CD2 3.72Å; F53-F72 HydrophobicContact CG-CE2 4.11Å; F72-F74 HydrophobicContact CD1-CB 4.06Å; F72-F74 AromaticContact CD1-CD2 3.86Å; F72-F74 HydrophobicContact CD1-CD2 3.86Å; F72-F74 HydrophobicContact CD1-CG 4.41Å; F72-F74 HydrophobicContact CE1-CB 4.29Å; F72-F74 AromaticContact CE1-CD2 3.7Å; F72-F74 HydrophobicContact CE1-CD2 3.7Å; F72-F74 HydrophobicContact CE1-CE2 4.45Å; F72-F74 HydrophobicContact CE1-CG 4.3Å; F72-F74 PolarHBondContact O-N 2.63Å; F72-V92 PolarHBondContact N-O 3.01Å; F72-V92 PolarHBondContact O-N 3.41Å; F72-F94 HydrophobicContact CB-CD2 4.1Å; F72-F94 HydrophobicContact CB-CE2 3.57Å; F72-F94 HydrophobicContact CG-CE2 4.36Å
73D80.3Confident70.4Confident32 Ų3255.5 Ų55.517%0.17131%0.312CS..EExtended strand (participates in β ladder)trans-85.199.9170.7-17827.9000110R11 K75R11-D73 PolarHBondContact O-N 3.24Å; D73-K75 PolarHBondContact O-N 3.25Å; D73-K75 WeakPolarHBondContact OD2-CE 3.4Å
74F75.8Confident69.8Low2 Ų251.9 Ų51.91%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-85.1111.5-178.6-153.4-82.1000110.2Y50 F72 F76 S89 K90 V92 H138 L142 L145Y50-F74 HydrophobicContact CD2-CE2 4.26Å; F72-F74 HydrophobicContact CD1-CB 4.06Å; F72-F74 AromaticContact CD1-CD2 3.86Å; F72-F74 HydrophobicContact CD1-CD2 3.86Å; F72-F74 HydrophobicContact CD1-CG 4.41Å; F72-F74 HydrophobicContact CE1-CB 4.29Å; F72-F74 AromaticContact CE1-CD2 3.7Å; F72-F74 HydrophobicContact CE1-CD2 3.7Å; F72-F74 HydrophobicContact CE1-CE2 4.45Å; F72-F74 HydrophobicContact CE1-CG 4.3Å; F72-F74 PolarHBondContact O-N 2.63Å; F74-F76 HydrophobicContact CD1-CB 4.09Å; F74-F76 HydrophobicContact CD1-CD1 4.08Å; F74-F76 HydrophobicContact CE1-CB 4.06Å; F74-S89 CarbonylContact O-C 3.58Å; F74-S89 WeakPolarHBondContact O-CA 3.47Å; F74-K90 WeakPolarHBondContact CB-O 3.24Å; F74-K90 PolarHBondContact N-O 2.89Å; F74-K90 PolarHBondContact O-N 3.27Å; F74-V92 HydrophobicContact CB-CG2 4.05Å; F74-H138 AromaticContact CZ-CD2 3.8Å; F74-H138 AromaticContact CZ-NE2 3.59Å; F74-L142 HydrophobicContact CE1-CD2 3.62Å; F74-L142 HydrophobicContact CE1-CG 4.23Å; F74-L142 HydrophobicContact CZ-CD2 3.99Å; F74-L142 HydrophobicContact CZ-CG 4.08Å; F74-L145 HydrophobicContact CB-CD1 3.92Å; F74-L145 HydrophobicContact CD1-CD1 3.26Å; F74-L145 HydrophobicContact CD2-CD1 4.06Å; F74-L145 HydrophobicContact CE1-CD1 3.69Å; F74-L145 HydrophobicContact CE2-CD1 4.41Å; F74-L145 HydrophobicContact CG-CD1 3.46Å; F74-L145 VanDerWaalsContact CG-CD1 3.46Å; F74-L145 HydrophobicContact CZ-CD1 4.24Å
75K71.5Confident69.3Low34 Ų3454.5 Ų54.515%0.14833%0.333CS..EExtended strand (participates in β ladder)trans-97.2119.4175.1-58-171.3-173.1178.60109.3F42 S46 D73 M88F42-K75 HydrophobicContact CD1-CB 4.49Å; F42-K75 HydrophobicContact CE1-CB 3.75Å; F42-K75 HydrophobicContact CE2-CB 4.29Å; F42-K75 HydrophobicContact CE2-CD 4.22Å; F42-K75 HydrophobicContact CZ-CB 3.64Å; F42-K75 HydrophobicContact CZ-CD 4.23Å; F42-K75 HydrophobicContact CZ-CG 4.3Å; S46-K75 VanDerWaalsContact CB-O 3.23Å; S46-K75 WeakPolarHBondContact CB-O 3.47Å; S46-K75 WeakPolarHBondContact OG-CB 3.43Å; S46-K75 PolarHBondContact OG-O 2.93Å; D73-K75 PolarHBondContact O-N 3.25Å; D73-K75 WeakPolarHBondContact OD2-CE 3.4Å; K75-M88 CarbonylContact C-O 3.48Å; K75-M88 WeakPolarHBondContact CA-O 3.23Å
76F67.7Low69Low17 Ų1750.8 Ų50.88%0.07533%0.325CS..EExtended strand (participates in β ladder)trans-135.3153-179.265.2-81000110.8F42 F74 M88 K90 L142F42-F76 WeakPolarHBondContact CE1-O 3.25Å; F74-F76 HydrophobicContact CD1-CB 4.09Å; F74-F76 HydrophobicContact CD1-CD1 4.08Å; F74-F76 HydrophobicContact CE1-CB 4.06Å; F76-M88 HydrophobicContact CD1-CB 4.42Å; F76-M88 HydrophobicContact CD2-CB 4.36Å; F76-M88 HydrophobicContact CE1-CB 3.95Å; F76-M88 HydrophobicContact CE2-CB 3.89Å; F76-M88 HydrophobicContact CE2-CE 4.24Å; F76-M88 HydrophobicContact CE2-SD 4.31Å; F76-M88 HydrophobicContact CZ-CB 3.67Å; F76-M88 HydrophobicContact CZ-SD 4.31Å; F76-M88 PolarHBondContact N-O 3.39Å; F76-M88 CarbonylContact O-C 3.57Å; F76-M88 PolarHBondContact O-N 3.31Å; F76-K90 HydrophobicContact CE1-CB 3.95Å; F76-L142 HydrophobicContact CB-CD2 4.38Å
77T64.7Low68.6Low70 Ų7056.4 Ų56.443%0.42935%0.348SS..EExtended strand (participates in β ladder)trans-98.1121.4170.952.60000108.4F42 S86 K87F42-T77 HydrophobicContact CB-CG2 4.29Å; F42-T77 HydrophobicContact CD1-CG2 3.55Å; F42-T77 HydrophobicContact CE1-CG2 4.23Å; F42-T77 HydrophobicContact CG-CG2 4.27Å; T77-S86 WeakPolarHBondContact CA-O 3.3Å; T77-K87 HydrophobicContact CG2-CG 4.22Å
78G59Low68Low11 Ų1159.5 Ų59.511%0.11336%0.363CS..EExtended strand (participates in β ladder)trans-104.6130.8174.900000110.5S86G78-S86 PolarHBondContact N-O 2.92Å; G78-S86 PolarHBondContact O-N 2.87Å
79S57.1Low67.2Low108 Ų10862.5 Ų62.576%0.75539%0.387SS*.EExtended strand (participates in β ladder)trans-91.3116.9166.851.50000108.8
80R55.4Low66.7Low157 Ų15765.4 Ų65.459%0.59240%0.399SS*.EExtended strand (participates in β ladder)trans-95.4132.1166.6-178.6176.4173.5169.30.4107.8G82 A83R80-G82 PolarHBondContact O-N 2.79Å; R80-A83 HydrophobicContact CB-CB 4.24Å; R80-A83 PolarHBondContact O-N 2.78Å; R80-A83 VanDerWaalsContact O-N 3.08Å
81E49.1Very low66.4Low197 Ų19768.6 Ų68.692%0.92142%0.416SS*.THydrogen-bonded Turntrans-52.8113.9169.3-73.8-173.9157.100108.4
82G53.8Low66.2Low92 Ų9268 Ų6895%0.94841%0.412SS*.THydrogen-bonded Turntrans96.9-5.5179.800000118.2R80R80-G82 PolarHBondContact O-N 2.79Å
83A52.8Low66.3Low71 Ų7168 Ų6859%0.58741%0.412SS*.THydrogen-bonded Turntrans-128.710.7-175.800000116.7R80R80-A83 HydrophobicContact CB-CB 4.24Å; R80-A83 PolarHBondContact O-N 2.78Å; R80-A83 VanDerWaalsContact O-N 3.08Å
84G54.9Low66.4Low52 Ų5266.5 Ų66.554%0.53640%0.404SS..EExtended strand (participates in β ladder)trans70.7173.2-179.200000113.7S86G84-S86 PolarHBondContact O-N 2.83Å
85A59.5Low66.8Low87 Ų8766.7 Ų66.772%0.71941%0.405SS*.EExtended strand (participates in β ladder)trans-72.4114.8177.400000110
86S64.1Low67.4Low67 Ų6765.1 Ų65.147%0.46940%0.398SS..EExtended strand (participates in β ladder)trans-106.3132.7178.7-1590000110.9T77 G78 G84 M88T77-S86 WeakPolarHBondContact CA-O 3.3Å; G78-S86 PolarHBondContact N-O 2.92Å; G78-S86 PolarHBondContact O-N 2.87Å; G84-S86 PolarHBondContact O-N 2.83Å; S86-M88 PolarHBondContact O-N 2.92Å
87K66.9Low68Low153 Ų15365.4 Ų65.467%0.66540%0.402SS*.EExtended strand (participates in β ladder)trans-74.2117.9174.1-68.8178.2-179179.90108.3F42 T77F42-K87 HydrophobicContact CD1-CB 4.47Å; F42-K87 HydrophobicContact CD1-CG 4.13Å; F42-K87 HydrophobicContact CD2-CD 3.8Å; F42-K87 HydrophobicContact CD2-CG 4.18Å; F42-K87 HydrophobicContact CE1-CB 3.92Å; F42-K87 HydrophobicContact CE1-CG 4.09Å; F42-K87 HydrophobicContact CE2-CB 4.14Å; F42-K87 HydrophobicContact CE2-CD 3.91Å; F42-K87 HydrophobicContact CE2-CG 4.16Å; F42-K87 HydrophobicContact CG-CD 4.16Å; F42-K87 HydrophobicContact CG-CG 4.15Å; F42-K87 HydrophobicContact CZ-CB 3.72Å; F42-K87 HydrophobicContact CZ-CD 4.34Å; F42-K87 HydrophobicContact CZ-CG 4.09Å; T77-K87 HydrophobicContact CG2-CG 4.22Å
88M68.3Low68.8Low65 Ų6562.3 Ų62.332%0.3238%0.383SS..EExtended strand (participates in β ladder)trans-120.7145.8178.2-67.2-166.3-109.300110.3K75 F76 S86K75-M88 CarbonylContact C-O 3.48Å; K75-M88 WeakPolarHBondContact CA-O 3.23Å; F76-M88 HydrophobicContact CD1-CB 4.42Å; F76-M88 HydrophobicContact CD2-CB 4.36Å; F76-M88 HydrophobicContact CE1-CB 3.95Å; F76-M88 HydrophobicContact CE2-CB 3.89Å; F76-M88 HydrophobicContact CE2-CE 4.24Å; F76-M88 HydrophobicContact CE2-SD 4.31Å; F76-M88 HydrophobicContact CZ-CB 3.67Å; F76-M88 HydrophobicContact CZ-SD 4.31Å; F76-M88 PolarHBondContact N-O 3.39Å; F76-M88 CarbonylContact O-C 3.57Å; F76-M88 PolarHBondContact O-N 3.31Å; S86-M88 PolarHBondContact O-N 2.92Å
89S70.6Confident69.6Low81 Ų8168.1 Ų68.157%0.56641%0.412SS*.EExtended strand (participates in β ladder)trans-121.1141.4169.3610000109.7F74F74-S89 CarbonylContact O-C 3.58Å; F74-S89 WeakPolarHBondContact O-CA 3.47Å
90K74.8Confident70.3Confident61 Ų6166 Ų6627%0.26541%0.406SS..EExtended strand (participates in β ladder)trans-142.8128.5176.8-167.3142.4-174.4171.90110.1F74 F76 L145F74-K90 WeakPolarHBondContact CB-O 3.24Å; F74-K90 PolarHBondContact N-O 2.89Å; F74-K90 PolarHBondContact O-N 3.27Å; F76-K90 HydrophobicContact CE1-CB 3.95Å; K90-L145 HydrophobicContact CB-CD2 4.19Å; K90-L145 HydrophobicContact CD-CD2 4.24Å; K90-L145 HydrophobicContact CG-CD2 4.16Å
91I79.8Confident71.3Confident68 Ų6858.8 Ų58.835%0.34938%0.38SS..EExtended strand (participates in β ladder)trans-78.3126.3177.1-58.1176.2000108V71 I125 L126V71-I91 HydrophobicContact CG1-CG2 3.44Å; V71-I91 VanDerWaalsContact CG1-CG2 3.44Å; I91-I125 HydrophobicContact CB-CG1 4.21Å; I91-I125 HydrophobicContact CG2-CD1 4.46Å; I91-I125 HydrophobicContact CG2-CG1 3.99Å; I91-I125 HydrophobicContact CG2-CG2 4.33Å; I91-I125 CarbonylContact O-C 3.58Å; I91-I125 WeakPolarHBondContact O-CA 3.18Å; I91-L126 PolarHBondContact O-N 3.28Å
92V80.9Confident72.8Confident2 Ų254.3 Ų54.31%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-113.7128.2178.5-175.90000108.2V71 F72 F74 F94 L126 L128 L145V71-V92 CarbonylContact C-O 3.49Å; V71-V92 WeakPolarHBondContact CA-O 3.36Å; F72-V92 PolarHBondContact N-O 3.01Å; F72-V92 PolarHBondContact O-N 3.41Å; F74-V92 HydrophobicContact CB-CG2 4.05Å; V92-F94 HydrophobicContact CB-CE2 4.08Å; V92-F94 HydrophobicContact CB-CZ 4.13Å; V92-F94 HydrophobicContact CG1-CD1 4.19Å; V92-F94 HydrophobicContact CG1-CD2 4.27Å; V92-F94 HydrophobicContact CG1-CE1 3.7Å; V92-F94 HydrophobicContact CG1-CE2 3.77Å; V92-F94 HydrophobicContact CG1-CG 4.49Å; V92-F94 HydrophobicContact CG1-CZ 3.45Å; V92-F94 VanDerWaalsContact CG1-CZ 3.45Å; V92-L126 CarbonylContact C-O 3.52Å; V92-L126 WeakPolarHBondContact CA-O 3.41Å; V92-L126 HydrophobicContact CG2-CB 4.49Å; V92-L128 HydrophobicContact CG1-CD1 3.43Å; V92-L128 VanDerWaalsContact CG1-CD1 3.43Å; V92-L128 HydrophobicContact CG1-CG 4.03Å; V92-L145 HydrophobicContact CG2-CD1 4.46Å; V92-L145 HydrophobicContact CG2-CD2 3.98Å
93F84.8Confident74.1Confident1 Ų156.3 Ų56.30%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-103.1117.2175.9172.5-100.7000109.3Y69 A70 V71 Q95 I116 K117 L120 I125 L126 P127 L128Y69-F93 AromaticContact CD1-CE1 3.85Å; Y69-F93 HydrophobicContact CD1-CE1 3.85Å; Y69-F93 AromaticContact CD1-CE2 3.68Å; Y69-F93 HydrophobicContact CD1-CE2 3.68Å; Y69-F93 AromaticContact CD1-CZ 3.1Å; Y69-F93 HydrophobicContact CD1-CZ 3.1Å; Y69-F93 AromaticContact CE1-CE1 3.83Å; Y69-F93 HydrophobicContact CE1-CE1 3.83Å; Y69-F93 HydrophobicContact CE1-CE2 4.34Å; Y69-F93 AromaticContact CE1-CZ 3.35Å; Y69-F93 HydrophobicContact CE1-CZ 3.35Å; Y69-F93 HydrophobicContact CG-CE2 4.13Å; Y69-F93 AromaticContact CG-CZ 3.9Å; Y69-F93 HydrophobicContact CG-CZ 3.9Å; A70-F93 CarbonylContact O-C 3.48Å; A70-F93 WeakPolarHBondContact O-CA 3.39Å; V71-F93 HydrophobicContact CG2-CD2 3.78Å; V71-F93 HydrophobicContact CG2-CE2 4.49Å; F93-Q95 HydrophobicContact CE1-CB 4.22Å; F93-I116 HydrophobicContact CD2-CG2 4.36Å; F93-I116 HydrophobicContact CE2-CG2 3.43Å; F93-I116 VanDerWaalsContact CE2-CG2 3.43Å; F93-I116 HydrophobicContact CZ-CB 4.41Å; F93-I116 HydrophobicContact CZ-CG2 3.77Å; F93-K117 HydrophobicContact CD1-CG 4.29Å; F93-K117 HydrophobicContact CE1-CG 4.14Å; F93-L120 HydrophobicContact CD2-CD1 3.84Å; F93-L120 HydrophobicContact CE2-CD1 4.1Å; F93-I125 HydrophobicContact CB-CG2 3.42Å; F93-I125 VanDerWaalsContact CB-CG2 3.42Å; F93-L126 PolarHBondContact N-O 2.79Å; F93-P127 HydrophobicContact CD1-CB 4Å; F93-P127 CarbonylContact O-C 3.56Å; F93-P127 VanDerWaalsContact O-CA 3.32Å; F93-P127 WeakPolarHBondContact O-CA 3.34Å; F93-L128 PolarHBondContact O-N 3.38Å
94F83.4Confident75.5Confident0 Ų060.3 Ų60.30%036%0.355CS..EExtended strand (participates in β ladder)trans-98.7122.9178.4-65.6-68.7000110.1Y50 F53 Y69 A70 F72 V92 L128 I130 L141Y50-F94 HydrophobicContact CE2-CE2 4.34Å; Y50-F94 HydrophobicContact CE2-CZ 4.02Å; F53-F94 AromaticContact CE1-CD2 3.87Å; F53-F94 HydrophobicContact CE1-CD2 3.87Å; F53-F94 AromaticContact CE1-CE2 3.91Å; F53-F94 HydrophobicContact CE1-CE2 3.91Å; F53-F94 AromaticContact CZ-CD2 3.82Å; F53-F94 HydrophobicContact CZ-CD2 3.82Å; F53-F94 HydrophobicContact CZ-CE2 4.29Å; Y69-F94 CarbonylContact C-O 3.59Å; Y69-F94 WeakPolarHBondContact CA-O 3.35Å; A70-F94 HydrophobicContact CB-CB 4.06Å; A70-F94 PolarHBondContact N-O 3.41Å; A70-F94 PolarHBondContact O-N 2.92Å; F72-F94 HydrophobicContact CB-CD2 4.1Å; F72-F94 HydrophobicContact CB-CE2 3.57Å; F72-F94 HydrophobicContact CG-CE2 4.36Å; V92-F94 HydrophobicContact CB-CE2 4.08Å; V92-F94 HydrophobicContact CB-CZ 4.13Å; V92-F94 HydrophobicContact CG1-CD1 4.19Å; V92-F94 HydrophobicContact CG1-CD2 4.27Å; V92-F94 HydrophobicContact CG1-CE1 3.7Å; V92-F94 HydrophobicContact CG1-CE2 3.77Å; V92-F94 HydrophobicContact CG1-CG 4.49Å; V92-F94 HydrophobicContact CG1-CZ 3.45Å; V92-F94 VanDerWaalsContact CG1-CZ 3.45Å; F94-L128 CarbonylContact C-O 3.52Å; F94-L128 WeakPolarHBondContact CA-O 3.34Å; F94-L128 HydrophobicContact CD1-CB 3.98Å; F94-L128 HydrophobicContact CD1-CD1 4.2Å; F94-L128 HydrophobicContact CE1-CB 4.26Å; F94-L128 HydrophobicContact CE1-CD1 3.64Å; F94-L128 HydrophobicContact CZ-CD1 4.4Å; F94-I130 HydrophobicContact CB-CD1 3.92Å; F94-I130 HydrophobicContact CD1-CD1 3.28Å; F94-I130 HydrophobicContact CD1-CG1 4.23Å; F94-I130 HydrophobicContact CE1-CD1 4.03Å; F94-I130 HydrophobicContact CG-CD1 3.91Å; F94-L141 HydrophobicContact CE1-CD1 3.87Å; F94-L141 HydrophobicContact CE1-CD2 3.8Å; F94-L141 HydrophobicContact CZ-CD1 3.61Å; F94-L141 HydrophobicContact CZ-CD2 4.23Å
95Q84.9Confident76.8Confident6 Ų662.5 Ų62.53%0.02835%0.347CS..EExtended strand (participates in β ladder)trans-105.4102.9169.2174174.48.100107.7Y69 F93 L128 Q129 I130Y69-Q95 HydrophobicContact CD1-CB 4.1Å; Y69-Q95 HydrophobicContact CD1-CG 4.27Å; Y69-Q95 HydrophobicContact CE1-CB 3.75Å; Y69-Q95 HydrophobicContact CE1-CG 3.56Å; F93-Q95 HydrophobicContact CE1-CB 4.22Å; Q95-L128 PolarHBondContact N-O 3.05Å; Q95-Q129 HydrophobicContact CB-CG 4.2Å; Q95-Q129 HydrophobicContact CG-CG 4.44Å; Q95-Q129 WeakPolarHBondContact O-CA 3.48Å; Q95-I130 PolarHBondContact O-N 3.16Å
96V83.1Confident77.9Confident1 Ų160.8 Ų60.81%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-92.1110.8-177.7-171.60000107.6L57 T61 F64 C67 R68 I130L57-V96 HydrophobicContact CD1-CG2 4.14Å; L57-V96 HydrophobicContact CD2-CG2 3.85Å; L57-V96 HydrophobicContact CG-CG2 4.36Å; T61-V96 HydrophobicContact CG2-CG1 4.32Å; F64-V96 HydrophobicContact CD1-CG1 4.29Å; F64-V96 HydrophobicContact CE1-CG1 4.33Å; C67-V96 VanDerWaalsContact CA-O 3.32Å; C67-V96 WeakPolarHBondContact CA-O 3.44Å; R68-V96 PolarHBondContact N-O 3.22Å; R68-V96 VanDerWaalsContact N-O 3.13Å; R68-V96 WeakPolarHBondContact O-CB 3.49Å; R68-V96 PolarHBondContact O-N 2.85Å; V96-I130 HydrophobicContact CG2-CD1 4.22Å
97C80.8Confident78.8Confident24 Ų2464 Ų6416%0.16233%0.332CS..  trans-133.273.8-177.4-73.80000108.8I130C97-I130 PolarHBondContact N-O 3.24Å
98P80.7Confident79.7Confident4 Ų458.1 Ų58.13%0.02631%0.309CS..  trans-74.5152.8-173.530.6-33.4000111.8F64 G100 A101 K106 S131F64-P98 HydrophobicContact CB-CB 3.62Å; F64-P98 HydrophobicContact CB-CG 3.97Å; F64-P98 HydrophobicContact CD1-CB 4.04Å; F64-P98 HydrophobicContact CD1-CG 4.42Å; F64-P98 HydrophobicContact CG-CB 4.31Å; F64-P98 VanDerWaalsContact O-CB 3.23Å; F64-P98 WeakPolarHBondContact O-CB 3.39Å; F64-P98 WeakPolarHBondContact O-CG 3.3Å; P98-G100 PolarHBondContact O-N 2.78Å; P98-G100 VanDerWaalsContact O-N 3.17Å; P98-A101 HydrophobicContact CG-CB 4.11Å; P98-A101 WeakPolarHBondContact O-CB 3.18Å; P98-A101 PolarHBondContact O-N 3.03Å; P98-K106 WeakPolarHBondContact O-CE 3.41Å; P98-K106 PolarHBondContact O-NZ 2.84Å; P98-S131 WeakPolarHBondContact CA-O 3.4Å
99D75.8Confident80.4Confident134 Ų13455.3 Ų55.372%0.71730%0.295SS*.THydrogen-bonded Turntrans-64.1-26.5-174.1-83.7-32.1000114.4A101 K106D99-A101 VanDerWaalsContact C-N 3.28Å; D99-A101 PolarHBondContact O-N 2.77Å; D99-K106 VanDerWaalsContact C-NZ 3.31Å; D99-K106 VanDerWaalsContact CA-NZ 3.25Å; D99-K106 PolarHBondContact O-NZ 3.31Å; D99-K106 IonicContact OD1-NZ 2.67Å
100G72.8Confident81Confident62 Ų6254.2 Ų54.264%0.63929%0.291SS*.THydrogen-bonded Turntrans-72.6-10.5175.500000115.8P98P98-G100 PolarHBondContact O-N 2.78Å; P98-G100 VanDerWaalsContact O-N 3.17Å
101A75.4Confident81.5Confident6 Ų655.1 Ų55.15%0.0531%0.305CS..SBendtrans-74.6149-176.200000113.7K65 C67 P98 D99 I103 K106K65-A101 VanDerWaalsContact O-CA 3.31Å; K65-A101 WeakPolarHBondContact O-CA 3.46Å; C67-A101 WeakPolarHBondContact SG-CB 3.49Å; P98-A101 HydrophobicContact CG-CB 4.11Å; P98-A101 WeakPolarHBondContact O-CB 3.18Å; P98-A101 PolarHBondContact O-N 3.03Å; D99-A101 VanDerWaalsContact C-N 3.28Å; D99-A101 PolarHBondContact O-N 2.77Å; A101-I103 PolarHBondContact O-N 3.37Å; A101-K106 HydrophobicContact CB-CG 4.07Å; A101-K106 VanDerWaalsContact O-CE 3.25Å; A101-K106 WeakPolarHBondContact O-CE 2.96Å
102N80.4Confident81.7Confident104 Ų10453.5 Ų53.556%0.55630%0.3SS*.  trans-57.6129.8178.2-166.7-20.7000110.8K104 R105 K106N102-K104 PolarHBondContact O-N 3.06Å; N102-K104 VanDerWaalsContact O-N 3.14Å; N102-K104 PolarHBondContact OD1-N 3.39Å; N102-R105 PolarHBondContact O-N 3.35Å; N102-K106 PolarHBondContact O-N 2.69Å
103I81.8Confident81.7Confident134 Ų13453.7 Ų53.769%0.68730%0.302SS*.Hα-helixtrans-53.6-39.6-175.6-61.4171.9000111.4A101 R105 K106 M107A101-I103 PolarHBondContact O-N 3.37Å; I103-R105 PolarHBondContact O-N 2.9Å; I103-K106 PolarHBondContact O-N 3.48Å; I103-M107 WeakPolarHBondContact O-CB 3.17Å; I103-M107 PolarHBondContact O-N 2.89Å
104K81.6Confident81.4Confident154 Ų15456.8 Ų56.867%0.6732%0.323SS*.Hα-helixtrans-58-47.4177.1-69.8-173.9178.3-178.20111.6N102 M107 V108N102-K104 PolarHBondContact O-N 3.06Å; N102-K104 VanDerWaalsContact O-N 3.14Å; N102-K104 PolarHBondContact OD1-N 3.39Å; K104-M107 WeakPolarHBondContact O-CB 3.39Å; K104-M107 PolarHBondContact O-N 3.39Å; K104-V108 VanDerWaalsContact O-CG2 3.32Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.05Å
105R82Confident81.3Confident99 Ų9959.7 Ų59.737%0.37435%0.348SS..Hα-helixtrans-66.1-44.4178-72.1-168.7170.3-177.7-4.8111.4D66 N102 I103 M107 V108 Y109D66-R105 WeakPolarHBondContact OD1-CD 3.29Å; D66-R105 IonicContact OD1-CZ 3.55Å; D66-R105 IonicContact OD1-NE 3.08Å; D66-R105 IonicContact OD1-NH1 3.64Å; D66-R105 PolarHBondContact OD1-NH1 2.77Å; D66-R105 IonicContact OD2-CZ 3.53Å; D66-R105 IonicContact OD2-NH1 2.75Å; D66-R105 PolarHBondContact OD2-NH1 3.11Å; N102-R105 PolarHBondContact O-N 3.35Å; I103-R105 PolarHBondContact O-N 2.9Å; R105-M107 PolarHBondContact O-N 2.99Å; R105-V108 PolarHBondContact O-N 3.46Å; R105-V108 VanDerWaalsContact O-N 3.15Å; R105-Y109 WeakPolarHBondContact O-CB 3.34Å; R105-Y109 VanDerWaalsContact O-CD2 3.28Å; R105-Y109 WeakPolarHBondContact O-CD2 3.26Å; R105-Y109 PolarHBondContact O-N 3.18Å
106K82Confident81.1Confident50 Ų5060.1 Ų60.122%0.21735%0.35CS..Hα-helixtrans-52.6-44.1173.8-70.9-177.3178.4178.80112P98 D99 A101 N102 I103 A110P98-K106 WeakPolarHBondContact O-CE 3.41Å; P98-K106 PolarHBondContact O-NZ 2.84Å; D99-K106 VanDerWaalsContact C-NZ 3.31Å; D99-K106 VanDerWaalsContact CA-NZ 3.25Å; D99-K106 PolarHBondContact O-NZ 3.31Å; D99-K106 IonicContact OD1-NZ 2.67Å; A101-K106 HydrophobicContact CB-CG 4.07Å; A101-K106 VanDerWaalsContact O-CE 3.25Å; A101-K106 WeakPolarHBondContact O-CE 2.96Å; N102-K106 PolarHBondContact O-N 2.69Å; I103-K106 PolarHBondContact O-N 3.48Å; K106-A110 VanDerWaalsContact O-CB 3.24Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.38Å
107M83.5Confident80.9Confident135 Ų13561.7 Ų61.767%0.66536%0.357SS*.Hα-helixtrans-65.6-43.9179.1-166.5177.9-166.200112.4I103 K104 R105 S111I103-M107 WeakPolarHBondContact O-CB 3.17Å; I103-M107 PolarHBondContact O-N 2.89Å; K104-M107 WeakPolarHBondContact O-CB 3.39Å; K104-M107 PolarHBondContact O-N 3.39Å; R105-M107 PolarHBondContact O-N 2.99Å; M107-S111 WeakPolarHBondContact O-CB 3.49Å; M107-S111 PolarHBondContact O-N 3.02Å; M107-S111 PolarHBondContact O-OG 3.13Å
108V85.4Confident80.8Confident30 Ų3065.3 Ų65.318%0.18238%0.378CS..Hα-helixtrans-63.9-47.7177172.90000111I17 D20 K104 R105 S111 S112I17-V108 HydrophobicContact CD1-CG1 3.91Å; I17-V108 HydrophobicContact CG2-CG1 3.95Å; D20-V108 HydrophobicContact CB-CG1 4.18Å; D20-V108 HydrophobicContact CB-CG2 4Å; K104-V108 VanDerWaalsContact O-CG2 3.32Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.05Å; R105-V108 PolarHBondContact O-N 3.46Å; R105-V108 VanDerWaalsContact O-N 3.15Å; V108-S111 PolarHBondContact O-N 3.05Å; V108-S112 WeakPolarHBondContact O-CB 3.35Å; V108-S112 PolarHBondContact O-N 3.11Å; V108-S112 PolarHBondContact O-OG 2.93Å; V108-S112 VanDerWaalsContact O-OG 3.12Å
109Y83.9Confident80.6Confident5 Ų569.3 Ų69.32%0.0241%0.411CS..Hα-helixtrans-58.6-58.2175.3-86.8-97.4000109.7A16 I17 C67 R68 Y69 R105 S111 S112 A113A16-Y109 WeakPolarHBondContact CA-OH 3.44Å; I17-Y109 HydrophobicContact CB-CE2 3.96Å; I17-Y109 HydrophobicContact CD1-CD1 4.08Å; I17-Y109 HydrophobicContact CD1-CD2 4.02Å; I17-Y109 HydrophobicContact CD1-CE1 4.13Å; I17-Y109 HydrophobicContact CD1-CE2 4.15Å; I17-Y109 HydrophobicContact CD1-CG 4.01Å; I17-Y109 HydrophobicContact CG1-CD1 4.42Å; I17-Y109 HydrophobicContact CG1-CD2 4.45Å; I17-Y109 HydrophobicContact CG1-CE1 3.95Å; I17-Y109 HydrophobicContact CG1-CE2 4.07Å; I17-Y109 PolarHBondContact N-OH 2.59Å; C67-Y109 VanDerWaalsContact C-CZ 3.5Å; C67-Y109 HydrophobicContact CB-CD1 3.97Å; C67-Y109 HydrophobicContact CB-CD2 3.41Å; C67-Y109 VanDerWaalsContact CB-CD2 3.41Å; C67-Y109 HydrophobicContact CB-CE1 4.25Å; C67-Y109 HydrophobicContact CB-CE2 3.66Å; C67-Y109 HydrophobicContact CB-CG 3.56Å; C67-Y109 WeakPolarHBondContact O-CE2 3.32Å; C67-Y109 PolarHBondContact O-OH 3.26Å; R68-Y109 VanDerWaalsContact CA-CE1 3.42Å; Y69-Y109 AromaticContact CD2-CD1 3.48Å; Y69-Y109 HydrophobicContact CD2-CD1 3.48Å; Y69-Y109 VanDerWaalsContact CD2-CD1 3.48Å; Y69-Y109 AromaticContact CD2-CE1 3.51Å; Y69-Y109 HydrophobicContact CD2-CE1 3.51Å; Y69-Y109 HydrophobicContact CE1-CD1 4.35Å; Y69-Y109 AromaticContact CE2-CD1 3.24Å; Y69-Y109 HydrophobicContact CE2-CD1 3.24Å; Y69-Y109 AromaticContact CE2-CE1 3.76Å; Y69-Y109 HydrophobicContact CE2-CE1 3.76Å; Y69-Y109 HydrophobicContact CE2-CG 4.13Å; Y69-Y109 HydrophobicContact CG-CD1 4.15Å; Y69-Y109 HydrophobicContact CG-CE1 4.18Å; Y69-Y109 AromaticContact CZ-CD1 3.73Å; Y69-Y109 PolarHBondContact OH-O 3.02Å; R105-Y109 WeakPolarHBondContact O-CB 3.34Å; R105-Y109 VanDerWaalsContact O-CD2 3.28Å; R105-Y109 WeakPolarHBondContact O-CD2 3.26Å; R105-Y109 PolarHBondContact O-N 3.18Å; Y109-S111 PolarHBondContact O-N 3.15Å; Y109-S112 PolarHBondContact O-N 3.18Å; Y109-A113 PolarHBondContact O-N 3.16Å; Y109-A113 VanDerWaalsContact O-N 3.07Å
110A83.1Confident80.5Confident58 Ų5866 Ų6648%0.47939%0.393SS..Hα-helixtrans-51.1-39.5-179.400000113.6K106 A113K106-A110 VanDerWaalsContact O-CB 3.24Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.38Å; A110-A113 WeakPolarHBondContact O-CB 3.38Å
111S84.2Confident80.3Confident80 Ų8064.6 Ų64.656%0.55938%0.379SS*.Hα-helixtrans-70-41177.7-56.30000112.8M107 V108 Y109 A113 S114M107-S111 WeakPolarHBondContact O-CB 3.49Å; M107-S111 PolarHBondContact O-N 3.02Å; M107-S111 PolarHBondContact O-OG 3.13Å; V108-S111 PolarHBondContact O-N 3.05Å; Y109-S111 PolarHBondContact O-N 3.15Å; S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 2.91Å; S111-S114 PolarHBondContact O-OG 2.94Å
112S84.6Confident79.4Confident34 Ų3469.8 Ų69.824%0.23841%0.41CS..Hα-helixtrans-77.1-8.4180-630000114.5V108 Y109 S114 A115 I116V108-S112 WeakPolarHBondContact O-CB 3.35Å; V108-S112 PolarHBondContact O-N 3.11Å; V108-S112 PolarHBondContact O-OG 2.93Å; V108-S112 VanDerWaalsContact O-OG 3.12Å; Y109-S112 PolarHBondContact O-N 3.18Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 3.49Å; S112-A115 PolarHBondContact O-N 3.35Å; S112-I116 PolarHBondContact O-N 3.35Å; S112-I116 VanDerWaalsContact O-N 3.12Å
113A80.9Confident78.3Confident7 Ų767.9 Ų67.96%0.05842%0.415CS..Hα-helixtrans-58.4-41.4-177.900000112.4Y69 Y109 A110 S111 K117Y69-A113 HydrophobicContact CE1-CB 4.45Å; Y69-A113 WeakPolarHBondContact OH-CA 2.98Å; Y69-A113 WeakPolarHBondContact OH-CB 3.46Å; Y69-A113 PolarHBondContact OH-N 3.42Å; Y69-A113 VanDerWaalsContact OH-N 3.14Å; Y109-A113 PolarHBondContact O-N 3.16Å; Y109-A113 VanDerWaalsContact O-N 3.07Å; A110-A113 WeakPolarHBondContact O-CB 3.38Å; S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 2.91Å; A113-K117 WeakPolarHBondContact O-CB 3.38Å; A113-K117 WeakPolarHBondContact O-CD 3.44Å; A113-K117 WeakPolarHBondContact O-CG 3.45Å; A113-K117 PolarHBondContact O-N 3Å; A113-K117 VanDerWaalsContact O-N 3.08Å
114S79.1Confident77.5Confident65 Ų6569.6 Ų69.646%0.45542%0.418SS..Hα-helixtrans-67.6-39.2179.558.40000112S111 S112 K117 T118S111-S114 PolarHBondContact O-OG 2.94Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 3.49Å; S114-K117 PolarHBondContact O-N 3.13Å; S114-T118 WeakPolarHBondContact O-CB 3.43Å; S114-T118 PolarHBondContact O-N 3.13Å; S114-T118 PolarHBondContact O-OG1 2.95Å
115A81.4Confident77Confident62 Ų6263.9 Ų63.951%0.51239%0.394SS..Hα-helixtrans-64-47.6178.800000111.4S112 T118 A119S112-A115 PolarHBondContact O-N 3.35Å; A115-T118 PolarHBondContact O-N 2.92Å; A115-A119 WeakPolarHBondContact O-CB 3.23Å; A115-A119 PolarHBondContact O-N 3.17Å
116I79.8Confident76.7Confident14 Ų1459.9 Ų59.97%0.07238%0.38CS..Hα-helixtrans-64.9-44.2177.2-74172.6000111.6V23 Y69 F93 S112 T118 A119 L120V23-I116 HydrophobicContact CB-CD1 4.36Å; V23-I116 HydrophobicContact CG1-CD1 3.63Å; V23-I116 HydrophobicContact CG1-CG1 4.15Å; V23-I116 HydrophobicContact CG2-CD1 3.79Å; V23-I116 HydrophobicContact CG2-CG1 4.03Å; Y69-I116 HydrophobicContact CD2-CD1 3.25Å; Y69-I116 HydrophobicContact CE2-CD1 3.5Å; Y69-I116 HydrophobicContact CG-CD1 3.9Å; F93-I116 HydrophobicContact CD2-CG2 4.36Å; F93-I116 HydrophobicContact CE2-CG2 3.43Å; F93-I116 VanDerWaalsContact CE2-CG2 3.43Å; F93-I116 HydrophobicContact CZ-CB 4.41Å; F93-I116 HydrophobicContact CZ-CG2 3.77Å; S112-I116 PolarHBondContact O-N 3.35Å; S112-I116 VanDerWaalsContact O-N 3.12Å; I116-T118 PolarHBondContact O-N 3.18Å; I116-A119 PolarHBondContact O-N 3.26Å; I116-A119 VanDerWaalsContact O-N 3.11Å; I116-L120 HydrophobicContact CG2-CD1 3.55Å; I116-L120 HydrophobicContact CG2-CG 4.07Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.83Å
117K79.1Confident76.5Confident35 Ų3558.8 Ų58.815%0.15238%0.378CS..Hα-helixtrans-58.5-40.2177-73.7170.7-170.8-179.40111.8F93 A113 S114 G121 P127F93-K117 HydrophobicContact CD1-CG 4.29Å; F93-K117 HydrophobicContact CE1-CG 4.14Å; A113-K117 WeakPolarHBondContact O-CB 3.38Å; A113-K117 WeakPolarHBondContact O-CD 3.44Å; A113-K117 WeakPolarHBondContact O-CG 3.45Å; A113-K117 PolarHBondContact O-N 3Å; A113-K117 VanDerWaalsContact O-N 3.08Å; S114-K117 PolarHBondContact O-N 3.13Å; K117-G121 PolarHBondContact O-N 3.33Å; K117-P127 HydrophobicContact CD-CB 4.43Å
118T78.6Confident76.2Confident99 Ų9953.2 Ų53.261%0.60735%0.351SS*.Hα-helixtrans-68-40.6176.7-53.90000111S114 A115 I116 G121S114-T118 WeakPolarHBondContact O-CB 3.43Å; S114-T118 PolarHBondContact O-N 3.13Å; S114-T118 PolarHBondContact O-OG1 2.95Å; A115-T118 PolarHBondContact O-N 2.92Å; I116-T118 PolarHBondContact O-N 3.18Å; T118-G121 PolarHBondContact O-N 3.47Å
119A77.7Confident75.9Confident88 Ų8857.3 Ų57.373%0.72737%0.368SS*.Hα-helixtrans-66.3-36.8177.600000113.3A115 I116A115-A119 WeakPolarHBondContact O-CB 3.23Å; A115-A119 PolarHBondContact O-N 3.17Å; I116-A119 PolarHBondContact O-N 3.26Å; I116-A119 VanDerWaalsContact O-N 3.11Å
120L73.3Confident75.5Confident65 Ų6557.2 Ų57.234%0.3437%0.368SS..Hα-helixtrans-79-15.5179.5-67171.3000113.7F15 V71 F93 I116 I125F15-L120 HydrophobicContact CZ-CD2 4.36Å; V71-L120 HydrophobicContact CG2-CD1 3.52Å; V71-L120 HydrophobicContact CG2-CD2 4.4Å; F93-L120 HydrophobicContact CD2-CD1 3.84Å; F93-L120 HydrophobicContact CE2-CD1 4.1Å; I116-L120 HydrophobicContact CG2-CD1 3.55Å; I116-L120 HydrophobicContact CG2-CG 4.07Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.83Å; L120-I125 HydrophobicContact CB-CD1 3.39Å; L120-I125 HydrophobicContact CD1-CD1 4.39Å; L120-I125 HydrophobicContact CG-CD1 4.49Å
121G67.6Low75.1Confident33 Ų3357.2 Ų57.234%0.3436%0.364SS..  trans95.7121.8179.100000113.1K117 T118 G123 I125K117-G121 PolarHBondContact O-N 3.33Å; T118-G121 PolarHBondContact O-N 3.47Å; G121-G123 VanDerWaalsContact C-N 3.32Å; G121-G123 PolarHBondContact O-N 3.41Å; G121-I125 WeakPolarHBondContact O-CD1 2.97Å
122T57Low74.4Confident114 Ų11457.6 Ų57.670%0.69936%0.36SS*.THydrogen-bonded Turntrans-76.3-6.5-168.434.40000115.8
123G58.5Low73.7Confident64 Ų6460.3 Ų60.366%0.6637%0.369SS*.THydrogen-bonded Turntrans-81.7-26.5-165.500000116.8G121G121-G123 VanDerWaalsContact C-N 3.32Å; G121-G123 PolarHBondContact O-N 3.41Å
124K64.2Low73Confident171 Ų17163.7 Ų63.774%0.74339%0.392SS*.SBendtrans-141.6-0.1-167.1-65.1-173.6-178.7178.50115.6
125I71.6Confident72.3Confident34 Ų3464.2 Ų64.217%0.17439%0.387CS..  trans-87.8133.4-175.3-58178.1000109.3I91 F93 L120 G121 P127I91-I125 HydrophobicContact CB-CG1 4.21Å; I91-I125 HydrophobicContact CG2-CD1 4.46Å; I91-I125 HydrophobicContact CG2-CG1 3.99Å; I91-I125 HydrophobicContact CG2-CG2 4.33Å; I91-I125 CarbonylContact O-C 3.58Å; I91-I125 WeakPolarHBondContact O-CA 3.18Å; F93-I125 HydrophobicContact CB-CG2 3.42Å; F93-I125 VanDerWaalsContact CB-CG2 3.42Å; L120-I125 HydrophobicContact CB-CD1 3.39Å; L120-I125 HydrophobicContact CD1-CD1 4.39Å; L120-I125 HydrophobicContact CG-CD1 4.49Å; G121-I125 WeakPolarHBondContact O-CD1 2.97Å; I125-P127 WeakPolarHBondContact O-CD 3.23Å
126L74.6Confident71.6Confident14 Ų1461.6 Ų61.67%0.07337%0.365CS..EExtended strand (participates in β ladder)trans-95.8104.1171.2-178.167.6000109.5I91 V92 F93 L128 L145 F148I91-L126 PolarHBondContact O-N 3.28Å; V92-L126 CarbonylContact C-O 3.52Å; V92-L126 WeakPolarHBondContact CA-O 3.41Å; V92-L126 HydrophobicContact CG2-CB 4.49Å; F93-L126 PolarHBondContact N-O 2.79Å; L126-L128 HydrophobicContact CG-CG 4.41Å; L126-L145 HydrophobicContact CD2-CD2 3.73Å; L126-L145 HydrophobicContact CD2-CG 4.44Å; L126-F148 HydrophobicContact CD1-CD1 4.49Å; L126-F148 HydrophobicContact CD1-CD2 3.7Å; L126-F148 HydrophobicContact CD1-CE1 4.19Å; L126-F148 HydrophobicContact CD1-CE2 3.41Å; L126-F148 VanDerWaalsContact CD1-CE2 3.41Å; L126-F148 HydrophobicContact CD1-CG 4.28Å; L126-F148 HydrophobicContact CD1-CZ 3.68Å; L126-F148 HydrophobicContact CD2-CD2 3.84Å; L126-F148 HydrophobicContact CD2-CE2 4.02Å; L126-F148 HydrophobicContact CG-CD2 4.45Å; L126-F148 HydrophobicContact CG-CE2 4.36Å
127P77.7Confident70.9Confident27 Ų2762.5 Ų62.518%0.17537%0.372CS..EExtended strand (participates in β ladder)trans-77.5133.4175.226.8-29.4000111.5F93 K117 I125 V161F93-P127 HydrophobicContact CD1-CB 4Å; F93-P127 CarbonylContact O-C 3.56Å; F93-P127 VanDerWaalsContact O-CA 3.32Å; F93-P127 WeakPolarHBondContact O-CA 3.34Å; K117-P127 HydrophobicContact CD-CB 4.43Å; I125-P127 WeakPolarHBondContact O-CD 3.23Å; P127-V161 HydrophobicContact CB-CB 4.38Å; P127-V161 HydrophobicContact CB-CG1 4.13Å; P127-V161 HydrophobicContact CB-CG2 4.42Å; P127-V161 HydrophobicContact CG-CB 3.54Å; P127-V161 HydrophobicContact CG-CG1 3.84Å; P127-V161 HydrophobicContact CG-CG2 3.51Å
128L77.4Confident70.2Confident18 Ų1863 Ų639%0.09438%0.375CS..EExtended strand (participates in β ladder)trans-130.2131.8178.2-68.6177.3000108.6V92 F93 F94 Q95 L126 L141 K144V92-L128 HydrophobicContact CG1-CD1 3.43Å; V92-L128 VanDerWaalsContact CG1-CD1 3.43Å; V92-L128 HydrophobicContact CG1-CG 4.03Å; F93-L128 PolarHBondContact O-N 3.38Å; F94-L128 CarbonylContact C-O 3.52Å; F94-L128 WeakPolarHBondContact CA-O 3.34Å; F94-L128 HydrophobicContact CD1-CB 3.98Å; F94-L128 HydrophobicContact CD1-CD1 4.2Å; F94-L128 HydrophobicContact CE1-CB 4.26Å; F94-L128 HydrophobicContact CE1-CD1 3.64Å; F94-L128 HydrophobicContact CZ-CD1 4.4Å; Q95-L128 PolarHBondContact N-O 3.05Å; L126-L128 HydrophobicContact CG-CG 4.41Å; L128-L141 HydrophobicContact CD1-CD2 3.22Å; L128-K144 HydrophobicContact CD2-CD 3.81Å
129Q79.2Confident69.5Low117 Ų11762 Ų6255%0.54737%0.372SS..EExtended strand (participates in β ladder)trans-98.2133.8171.7-65.3-177.8-41.100107.4Q95Q95-Q129 HydrophobicContact CB-CG 4.2Å; Q95-Q129 HydrophobicContact CG-CG 4.44Å; Q95-Q129 WeakPolarHBondContact O-CA 3.48Å
130I76.1Confident69Low3 Ų361.5 Ų61.52%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-120.5112.2179.9-65.6157.9000106.4F94 Q95 V96 C97 D132 E135 L136F94-I130 HydrophobicContact CB-CD1 3.92Å; F94-I130 HydrophobicContact CD1-CD1 3.28Å; F94-I130 HydrophobicContact CD1-CG1 4.23Å; F94-I130 HydrophobicContact CE1-CD1 4.03Å; F94-I130 HydrophobicContact CG-CD1 3.91Å; Q95-I130 PolarHBondContact O-N 3.16Å; V96-I130 HydrophobicContact CG2-CD1 4.22Å; C97-I130 PolarHBondContact N-O 3.24Å; I130-D132 VanDerWaalsContact CG2-O 3.24Å; I130-D132 WeakPolarHBondContact CG2-O 3.47Å; I130-E135 WeakPolarHBondContact CA-OE2 3.45Å; I130-E135 HydrophobicContact CG2-CB 4.4Å; I130-L136 HydrophobicContact CD1-CD1 4.33Å; I130-L136 HydrophobicContact CD1-CD2 3.32Å; I130-L136 HydrophobicContact CD1-CG 3.63Å; I130-L136 HydrophobicContact CG1-CD2 4.39Å; I130-L136 HydrophobicContact CG1-CG 4.24Å; I130-L136 HydrophobicContact CG2-CD1 3.91Å; I130-L136 HydrophobicContact CG2-CG 3.88Å
131S75.2Confident68.8Low58 Ų5858.6 Ų58.641%0.40634%0.342SS..SBendtrans-97.6-25174.3-68.70000112.1P98 E135P98-S131 WeakPolarHBondContact CA-O 3.4Å; S131-E135 PolarHBondContact N-OE2 3.03Å
132D68.8Low68.7Low87 Ų8760.1 Ų60.147%0.46534%0.342SS..SBendtrans-137.4155-177.3-170-101.4000112I130 S134 E135I130-D132 VanDerWaalsContact CG2-O 3.24Å; I130-D132 WeakPolarHBondContact CG2-O 3.47Å; D132-S134 PolarHBondContact O-N 3.07Å; D132-S134 WeakPolarHBondContact OD1-CB 3.2Å; D132-S134 PolarHBondContact OD1-N 3.37Å; D132-S134 PolarHBondContact OD1-OG 3.48Å; D132-E135 PolarHBondContact O-N 3.5Å; D132-E135 VanDerWaalsContact O-N 3.16Å
133E69Low69.2Low92 Ų9260.8 Ų60.843%0.4334%0.337SS..G310 helixtrans-57.6-35.3177.4-173.6-176.2140.300112.3K58 F64 E135 L136K58-E133 WeakPolarHBondContact CE-OE1 3.39Å; K58-E133 WeakPolarHBondContact CE-OE2 3.18Å; K58-E133 IonicContact NZ-OE1 3.87Å; K58-E133 PolarHBondContact NZ-OE1 2.76Å; K58-E133 IonicContact NZ-OE2 2.95Å; K58-E133 PolarHBondContact NZ-OE2 3.47Å; F64-E133 HydrophobicContact CE2-CB 3.7Å; F64-E133 HydrophobicContact CE2-CG 3.85Å; F64-E133 WeakPolarHBondContact CE2-OE2 3.36Å; F64-E133 HydrophobicContact CZ-CB 3.68Å; F64-E133 HydrophobicContact CZ-CG 3.81Å; E133-E135 PolarHBondContact O-N 3.49Å; E133-L136 WeakPolarHBondContact O-CB 3.49Å; E133-L136 PolarHBondContact O-N 3.07Å; E133-L136 VanDerWaalsContact O-N 3.07Å
134S66.6Low69.5Low78 Ų7861.2 Ų61.255%0.54532%0.321SS..G310 helixtrans-60.8-26.5-179.656.60000113.1D132 L136 S137D132-S134 PolarHBondContact O-N 3.07Å; D132-S134 WeakPolarHBondContact OD1-CB 3.2Å; D132-S134 PolarHBondContact OD1-N 3.37Å; D132-S134 PolarHBondContact OD1-OG 3.48Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.41Å; S134-S137 WeakPolarHBondContact O-CB 3.16Å; S134-S137 PolarHBondContact O-N 3.25Å
135E64.3Low69.6Low75 Ų7553.2 Ų53.235%0.3529%0.286SS..G310 helixtrans-76.9-11.8178.9-59.2-171136.800113.9I130 S131 D132 E133 S137I130-E135 WeakPolarHBondContact CA-OE2 3.45Å; I130-E135 HydrophobicContact CG2-CB 4.4Å; S131-E135 PolarHBondContact N-OE2 3.03Å; D132-E135 PolarHBondContact O-N 3.5Å; D132-E135 VanDerWaalsContact O-N 3.16Å; E133-E135 PolarHBondContact O-N 3.49Å; E135-S137 PolarHBondContact O-N 2.94Å
136L66.1Low69.1Low8 Ų854.4 Ų54.44%0.04230%0.297CS..G310 helixtrans-83.513.2171.4-78.2154.9000112.2Y50 F53 V54 L57 F64 I130 E133 S134 H138Y50-L136 VanDerWaalsContact CE1-O 3.24Å; Y50-L136 WeakPolarHBondContact CE1-O 3.21Å; Y50-L136 VanDerWaalsContact OH-CD2 3.25Å; Y50-L136 WeakPolarHBondContact OH-CD2 3.11Å; Y50-L136 PolarHBondContact OH-O 2.9Å; F53-L136 HydrophobicContact CE1-CD2 4.41Å; V54-L136 HydrophobicContact CG2-CB 4.43Å; V54-L136 HydrophobicContact CG2-CD2 4.33Å; L57-L136 HydrophobicContact CD2-CD1 3.93Å; L57-L136 HydrophobicContact CD2-CD2 4.07Å; F64-L136 HydrophobicContact CE1-CD1 4.06Å; F64-L136 HydrophobicContact CZ-CD1 4.05Å; I130-L136 HydrophobicContact CD1-CD1 4.33Å; I130-L136 HydrophobicContact CD1-CD2 3.32Å; I130-L136 HydrophobicContact CD1-CG 3.63Å; I130-L136 HydrophobicContact CG1-CD2 4.39Å; I130-L136 HydrophobicContact CG1-CG 4.24Å; I130-L136 HydrophobicContact CG2-CD1 3.91Å; I130-L136 HydrophobicContact CG2-CG 3.88Å; E133-L136 WeakPolarHBondContact O-CB 3.49Å; E133-L136 PolarHBondContact O-N 3.07Å; E133-L136 VanDerWaalsContact O-N 3.07Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.41Å; L136-H138 PolarHBondContact O-N 3.26Å
137S65.3Low68.4Low33 Ų3359.8 Ų59.823%0.23132%0.322CS..  trans-67.5129.3178.498.70000111.1S134 E135 S139 D140 L141S134-S137 WeakPolarHBondContact O-CB 3.16Å; S134-S137 PolarHBondContact O-N 3.25Å; E135-S137 PolarHBondContact O-N 2.94Å; S137-S139 PolarHBondContact O-N 3.26Å; S137-S139 PolarHBondContact OG-OG 2.63Å; S137-D140 PolarHBondContact O-N 3.45Å; S137-D140 VanDerWaalsContact O-N 3.13Å; S137-D140 WeakPolarHBondContact OG-CB 3.41Å; S137-D140 PolarHBondContact OG-N 3.11Å; S137-D140 VanDerWaalsContact OG-N 3.16Å; S137-D140 PolarHBondContact OG-OD2 3.13Å; S137-L141 PolarHBondContact O-N 2.84Å; S137-L141 VanDerWaalsContact O-N 3.13Å
138H64.3Low67.5Low44 Ų4462.4 Ų62.420%0.20433%0.331CS..Hα-helixtrans-57.6-31.5178.8178.4-90.4000112.3Y50 F74 L136 L142Y50-H138 HydrophobicContact CD1-CB 4.04Å; Y50-H138 HydrophobicContact CE1-CB 4.19Å; F74-H138 AromaticContact CZ-CD2 3.8Å; F74-H138 AromaticContact CZ-NE2 3.59Å; L136-H138 PolarHBondContact O-N 3.26Å; H138-L142 WeakPolarHBondContact CE1-CD1 3.38Å; H138-L142 WeakPolarHBondContact ND1-CD1 3.42Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 WeakPolarHBondContact O-CG 3.09Å; H138-L142 PolarHBondContact O-N 3.21Å
139S65.5Low66.2Low78 Ų7863.4 Ų63.455%0.54534%0.339SS..Hα-helixtrans-65.4-45.9175.535.50000112.5S137 L141 L142 H143S137-S139 PolarHBondContact O-N 3.26Å; S137-S139 PolarHBondContact OG-OG 2.63Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 2.81Å; S139-L142 PolarHBondContact O-N 3.12Å; S139-H143 WeakPolarHBondContact O-CB 3.48Å; S139-H143 PolarHBondContact O-N 3.14Å
140D67.3Low64.3Low79 Ų7963.2 Ų63.242%0.42235%0.35SS..Hα-helixtrans-69.2-36.7-178.9-65.3-36.3000111.2S137 H143 K144S137-D140 PolarHBondContact O-N 3.45Å; S137-D140 VanDerWaalsContact O-N 3.13Å; S137-D140 WeakPolarHBondContact OG-CB 3.41Å; S137-D140 PolarHBondContact OG-N 3.11Å; S137-D140 VanDerWaalsContact OG-N 3.16Å; S137-D140 PolarHBondContact OG-OD2 3.13Å; D140-H143 PolarHBondContact O-N 2.95Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.32Å; D140-K144 WeakPolarHBondContact O-CG 3.16Å; D140-K144 PolarHBondContact O-N 3.16Å
141L68Low62.5Low4 Ų467.8 Ų67.82%0.02137%0.373CS..Hα-helixtrans-65.3-44.3173.7-66.3-174.6000112.7Y50 F94 L128 S137 S139 H143 K144 L145Y50-L141 HydrophobicContact CD2-CD1 4.39Å; Y50-L141 HydrophobicContact CE1-CD1 4.1Å; Y50-L141 HydrophobicContact CE2-CD1 3.4Å; Y50-L141 VanDerWaalsContact CE2-CD1 3.4Å; Y50-L141 WeakPolarHBondContact OH-CD1 3.12Å; F94-L141 HydrophobicContact CE1-CD1 3.87Å; F94-L141 HydrophobicContact CE1-CD2 3.8Å; F94-L141 HydrophobicContact CZ-CD1 3.61Å; F94-L141 HydrophobicContact CZ-CD2 4.23Å; L128-L141 HydrophobicContact CD1-CD2 3.22Å; S137-L141 PolarHBondContact O-N 2.84Å; S137-L141 VanDerWaalsContact O-N 3.13Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 2.81Å; L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.34Å; L141-K144 PolarHBondContact O-N 2.78Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 VanDerWaalsContact O-CG 3.23Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.82Å
142L66.7Low60.7Low64 Ų6470.2 Ų70.234%0.33539%0.386SS..Hα-helixtrans-60.4-43.2175-88.3176.1000111.3F74 F76 H138 S139 L145 S146F74-L142 HydrophobicContact CE1-CD2 3.62Å; F74-L142 HydrophobicContact CE1-CG 4.23Å; F74-L142 HydrophobicContact CZ-CD2 3.99Å; F74-L142 HydrophobicContact CZ-CG 4.08Å; F76-L142 HydrophobicContact CB-CD2 4.38Å; H138-L142 WeakPolarHBondContact CE1-CD1 3.38Å; H138-L142 WeakPolarHBondContact ND1-CD1 3.42Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 WeakPolarHBondContact O-CG 3.09Å; H138-L142 PolarHBondContact O-N 3.21Å; S139-L142 PolarHBondContact O-N 3.12Å; L142-L145 PolarHBondContact O-N 2.75Å; L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 3.21Å; L142-S146 PolarHBondContact O-OG 3.44Å
143H66Low58.8Low129 Ų12973.1 Ų73.160%0.59740%0.4SS*.Hα-helixtrans-64-42178.4-167.8-86.8000111.8S139 D140 L141 S146 Q147S139-H143 WeakPolarHBondContact O-CB 3.48Å; S139-H143 PolarHBondContact O-N 3.14Å; D140-H143 PolarHBondContact O-N 2.95Å; L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.34Å; H143-S146 WeakPolarHBondContact CA-OG 3.46Å; H143-S146 PolarHBondContact O-OG 3.13Å; H143-Q147 WeakPolarHBondContact O-CB 3.34Å; H143-Q147 PolarHBondContact O-N 2.76Å
144K66.4Low57Low73 Ų7376.8 Ų76.832%0.31742%0.415SS..Hα-helixtrans-60.7-49.8172.3-73.7175.4-176.6175.80110.2L128 D140 L141 S146 Q147 F148L128-K144 HydrophobicContact CD2-CD 3.81Å; D140-K144 WeakPolarHBondContact O-CB 3.28Å; D140-K144 VanDerWaalsContact O-CG 3.32Å; D140-K144 WeakPolarHBondContact O-CG 3.16Å; D140-K144 PolarHBondContact O-N 3.16Å; L141-K144 PolarHBondContact O-N 2.78Å; K144-S146 PolarHBondContact O-N 2.91Å; K144-Q147 PolarHBondContact O-N 2.95Å; K144-F148 WeakPolarHBondContact O-CD2 3.43Å; K144-F148 PolarHBondContact O-N 2.81Å; K144-F148 VanDerWaalsContact O-N 3.16Å
145L65.5Low55.3Low3 Ų377.4 Ų77.42%0.01643%0.425CS..Hα-helixtrans-63.4-40.4-178.9-73170.6000113.3F74 K90 V92 L126 L141 L142 F148 S149F74-L145 HydrophobicContact CB-CD1 3.92Å; F74-L145 HydrophobicContact CD1-CD1 3.26Å; F74-L145 HydrophobicContact CD2-CD1 4.06Å; F74-L145 HydrophobicContact CE1-CD1 3.69Å; F74-L145 HydrophobicContact CE2-CD1 4.41Å; F74-L145 HydrophobicContact CG-CD1 3.46Å; F74-L145 VanDerWaalsContact CG-CD1 3.46Å; F74-L145 HydrophobicContact CZ-CD1 4.24Å; K90-L145 HydrophobicContact CB-CD2 4.19Å; K90-L145 HydrophobicContact CD-CD2 4.24Å; K90-L145 HydrophobicContact CG-CD2 4.16Å; V92-L145 HydrophobicContact CG2-CD1 4.46Å; V92-L145 HydrophobicContact CG2-CD2 3.98Å; L126-L145 HydrophobicContact CD2-CD2 3.73Å; L126-L145 HydrophobicContact CD2-CG 4.44Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 VanDerWaalsContact O-CG 3.23Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.82Å; L142-L145 PolarHBondContact O-N 2.75Å; L145-F148 PolarHBondContact O-N 3.49Å; L145-S149 PolarHBondContact O-N 3.28Å; L145-S149 VanDerWaalsContact O-N 3.07Å
146S60.2Low53.7Low58 Ų5884.1 Ų84.141%0.40645%0.453SS..Hα-helixtrans-64.6-41.7178.461.60000111.2L142 H143 K144 F148 S149L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 3.21Å; L142-S146 PolarHBondContact O-OG 3.44Å; H143-S146 WeakPolarHBondContact CA-OG 3.46Å; H143-S146 PolarHBondContact O-OG 3.13Å; K144-S146 PolarHBondContact O-N 2.91Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 2.9Å; S146-S149 PolarHBondContact O-N 2.65Å; S146-S149 VanDerWaalsContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 2.94Å
147Q60.1Low52.1Low128 Ų12886.8 Ų86.860%0.59848%0.477SS*.Hα-helixtrans-61-38.1175.3-165.9175.49.900111.7H143 K144 S149H143-Q147 WeakPolarHBondContact O-CB 3.34Å; H143-Q147 PolarHBondContact O-N 2.76Å; K144-Q147 PolarHBondContact O-N 2.95Å; Q147-S149 VanDerWaalsContact C-N 3.34Å; Q147-S149 PolarHBondContact O-N 3.46Å
148F58.5Low50.5Low82 Ų8291.3 Ų91.336%0.3650%0.502SS..Hα-helixtrans-73.9-20175.3-75.6-68.5000114.3L126 K144 L145 S146L126-F148 HydrophobicContact CD1-CD1 4.49Å; L126-F148 HydrophobicContact CD1-CD2 3.7Å; L126-F148 HydrophobicContact CD1-CE1 4.19Å; L126-F148 HydrophobicContact CD1-CE2 3.41Å; L126-F148 VanDerWaalsContact CD1-CE2 3.41Å; L126-F148 HydrophobicContact CD1-CG 4.28Å; L126-F148 HydrophobicContact CD1-CZ 3.68Å; L126-F148 HydrophobicContact CD2-CD2 3.84Å; L126-F148 HydrophobicContact CD2-CE2 4.02Å; L126-F148 HydrophobicContact CG-CD2 4.45Å; L126-F148 HydrophobicContact CG-CE2 4.36Å; K144-F148 WeakPolarHBondContact O-CD2 3.43Å; K144-F148 PolarHBondContact O-N 2.81Å; K144-F148 VanDerWaalsContact O-N 3.16Å; L145-F148 PolarHBondContact O-N 3.49Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 2.9Å
149S51Low48.9Very low38 Ų3896.6 Ų96.627%0.26653%0.532SS..Hα-helixtrans-82.1-21.4-17873.70000114.1L145 S146 Q147 L151L145-S149 PolarHBondContact O-N 3.28Å; L145-S149 VanDerWaalsContact O-N 3.07Å; S146-S149 PolarHBondContact O-N 2.65Å; S146-S149 VanDerWaalsContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 2.94Å; Q147-S149 VanDerWaalsContact C-N 3.34Å; Q147-S149 PolarHBondContact O-N 3.46Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 3.41Å
150C38.9Very low47.2Very low114 Ų11496.9 Ų96.977%0.7754%0.54SS*.THydrogen-bonded Turntrans-74.1-17.6-179.2-163.30000113.4V152C150-V152 PolarHBondContact O-N 2.95Å
151L38.1Very low45.5Very low98 Ų9895.9 Ų95.951%0.51354%0.536SS..THydrogen-bonded Turntrans-86.214.5-165.9-93.4149.7000116.7S149 L153S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 3.41Å; L151-L153 PolarHBondContact O-N 3.17Å
152V37.2Very low43.6Very low110 Ų110101.5 Ų101.567%0.66757%0.565SS**THydrogen-bonded Turntrans-82.468.1179.9-1670000110.9C150C150-V152 PolarHBondContact O-N 2.95Å
153L30.2Very low41.7Very low147 Ų147108.2 Ų108.277%0.7759%0.592SS**THydrogen-bonded Turntrans-166.52.2156.3-105.7151000114.6L151L151-L153 PolarHBondContact O-N 3.17Å
154F31.7Very low40.1Very low170 Ų170106.6 Ų106.675%0.74660%0.595SS**  trans-111.698.3171.3-85.5-90.4000111
155A29.6Very low38.6Very low90 Ų90110 Ų11074%0.74461%0.612SS**SBendtrans-57.4139.6155.600000108.6
156F30.9Very low37.5Very low216 Ų216114.3 Ų114.395%0.94765%0.648SS**SBendtrans8854-170.5-69.1-93.2000117.6
157A33.7Very low37Very low65 Ų65112.4 Ų112.454%0.53764%0.635SS.*  trans-159.662.2157.300000112.7
158V31.1Very low36.9Very low127 Ų127109.5 Ų109.577%0.7764%0.639SS**  trans-134.674.3172-161.90000110.8
159N29.6Very low37.6Very low156 Ų156106.4 Ų106.483%0.83463%0.626SS**  trans-160.777.3154.2-114.4-15.7000108
160A31.3Very low39.2Very low84 Ų84112 Ų11269%0.69465%0.646SS**  trans-1001.3-173.700000114.7
161V30.2Very low41.4Very low57 Ų57108.6 Ų108.635%0.34562%0.62SS.*SBendtrans-139.747.2-177.5-167.40000114.4P127P127-V161 HydrophobicContact CB-CB 4.38Å; P127-V161 HydrophobicContact CB-CG1 4.13Å; P127-V161 HydrophobicContact CB-CG2 4.42Å; P127-V161 HydrophobicContact CG-CB 3.54Å; P127-V161 HydrophobicContact CG-CG1 3.84Å; P127-V161 HydrophobicContact CG-CG2 3.51Å
162I28.8Very low43.8Very low123 Ų123106.8 Ų106.863%0.63161%0.611SS**SBendtrans-139.5119.1146.5-59.3-176.4000105.3
163F26.2Very low46.1Very low205 Ų205106.1 Ų106.190%0.89961%0.608SS**SBendtrans58.798.1166.7-87-109.8000118
164S33.1Very low48.9Very low94 Ų94102.9 Ų102.966%0.65759%0.589SS**  trans-171.2113139.4-179.80000108.1A166S164-A166 PolarHBondContact O-N 2.69Å; S164-A166 VanDerWaalsContact O-N 3.12Å
165Q34.6Very low51.5Low145 Ų14594.8 Ų94.868%0.67855%0.554SS**  trans-47.6119.9155.2-64.1179.59.600106.3S167Q165-S167 PolarHBondContact O-N 2.93Å
166A43.6Very low54.2Low94 Ų9495.3 Ų95.378%0.77754%0.539SS*.  trans-52.4105.4143.200000102.5S164 G168S164-A166 PolarHBondContact O-N 2.69Å; S164-A166 VanDerWaalsContact O-N 3.12Å; A166-G168 PolarHBondContact O-N 2.67Å
167S48.8Very low57Low18 Ų1890.8 Ų90.813%0.12652%0.519CS..  trans-52.6121.8176.154.70000103Q165 V169 S277Q165-S167 PolarHBondContact O-N 2.93Å; S167-V169 PolarHBondContact O-N 3.13Å; S167-S277 PolarHBondContact OG-OG 2.73Å
168G58.1Low59.6Low66 Ų6687.8 Ų87.868%0.6849%0.494SS*.  trans-66.527.5179.100000111.8A166 K170A166-G168 PolarHBondContact O-N 2.67Å; G168-K170 PolarHBondContact O-N 3.45Å; G168-K170 VanDerWaalsContact O-N 3.17Å
169V73.4Confident62.3Low17 Ų1782.2 Ų82.210%0.10346%0.459CS..  trans-72.4102.9-178.41800000106.2S167 I195 D199 T200 I202S167-V169 PolarHBondContact O-N 3.13Å; V169-I195 HydrophobicContact CG1-CG2 4.41Å; V169-D199 WeakPolarHBondContact CG2-O 3.39Å; V169-T200 CarbonylContact C-O 3.6Å; V169-T200 WeakPolarHBondContact CA-O 3.26Å; V169-I202 HydrophobicContact CG1-CD1 3.91Å; V169-I202 HydrophobicContact CG1-CG1 3.62Å
170K84Confident65Low157 Ų15778.1 Ų78.168%0.68344%0.437SS*.EExtended strand (participates in β ladder)trans-68.3154173.4-59.7176.9-178.7176.10108.3G168 T200 T201 I202G168-K170 PolarHBondContact O-N 3.45Å; G168-K170 VanDerWaalsContact O-N 3.17Å; K170-T200 PolarHBondContact N-O 2.92Å; K170-T201 HydrophobicContact CB-CG2 4.25Å; K170-T201 CarbonylContact O-C 3.57Å; K170-T201 WeakPolarHBondContact O-CA 3.4Å; K170-I202 PolarHBondContact O-N 2.69Å
171I85.7Confident67.7Low42 Ų4275.8 Ų75.822%0.21541%0.413CS..EExtended strand (participates in β ladder)trans-103.8125.7175.6-62.3157.2000106.1C175 I202 G280 L281 C284I171-C175 HydrophobicContact CG2-CB 3.98Å; I171-I202 HydrophobicContact CG1-CD1 4.09Å; I171-G280 WeakPolarHBondContact CD1-O 3.41Å; I171-L281 HydrophobicContact CG2-CD1 4.2Å; I171-C284 HydrophobicContact CD1-CB 3.45Å; I171-C284 VanDerWaalsContact CD1-CB 3.45Å; I171-C284 HydrophobicContact CG2-CB 4.32Å
172D87.6Confident70.3Confident60 Ų6073 Ų7332%0.32140%0.397SS..PPolyproline II helixtrans-62129.7176.9-167-72.6000109.2Q174 C175 I202 I203D172-Q174 PolarHBondContact O-N 2.88Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.34Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.41Å; D172-Q174 PolarHBondContact OD1-N 3.35Å; D172-C175 VanDerWaalsContact O-CB 3.24Å; D172-C175 WeakPolarHBondContact O-CB 3.32Å; D172-C175 PolarHBondContact O-N 3.22Å; D172-I202 WeakPolarHBondContact CB-O 3.35Å; D172-I202 PolarHBondContact N-O 3.13Å; D172-I203 HydrophobicContact CB-CG2 3.94Å
173P86.7Confident72.7Confident95 Ų9572.1 Ų72.162%0.61739%0.389SS*.Hα-helixtrans-55.5-23.9178.8-2634.6000113.7C175 K176 K177P173-C175 VanDerWaalsContact C-N 3.28Å; P173-C175 PolarHBondContact O-N 3.29Å; P173-K176 PolarHBondContact O-N 2.55Å; P173-K177 PolarHBondContact O-N 3.1Å
174Q87.9Confident75.2Confident80 Ų8066.6 Ų66.637%0.37438%0.377SS..Hα-helixtrans-64.3-32.3175.2-166.559.235.100112.2D172 K176 K177 D178D172-Q174 PolarHBondContact O-N 2.88Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.34Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.41Å; D172-Q174 PolarHBondContact OD1-N 3.35Å; Q174-K176 VanDerWaalsContact C-N 3.28Å; Q174-K176 PolarHBondContact O-N 2.82Å; Q174-K177 PolarHBondContact O-N 3.09Å; Q174-D178 PolarHBondContact NE2-OD1 3.37Å; Q174-D178 WeakPolarHBondContact O-CB 3.32Å; Q174-D178 VanDerWaalsContact O-CG 3.22Å; Q174-D178 PolarHBondContact O-N 3.31Å
175C87.4Confident77.5Confident0 Ų070 Ų700%038%0.375CS..Hα-helixtrans-57.7-42.6176.7-65.40000111.8I171 D172 P173 Y179 F193 I202 V204I171-C175 HydrophobicContact CG2-CB 3.98Å; D172-C175 VanDerWaalsContact O-CB 3.24Å; D172-C175 WeakPolarHBondContact O-CB 3.32Å; D172-C175 PolarHBondContact O-N 3.22Å; P173-C175 VanDerWaalsContact C-N 3.28Å; P173-C175 PolarHBondContact O-N 3.29Å; C175-Y179 VanDerWaalsContact O-CB 3.3Å; C175-Y179 WeakPolarHBondContact O-CB 3.32Å; C175-Y179 PolarHBondContact O-N 3.18Å; C175-Y179 VanDerWaalsContact O-N 3.08Å; C175-F193 HydrophobicContact CB-CD1 4.13Å; C175-F193 HydrophobicContact CB-CE1 3.77Å; C175-I202 PolarHBondContact SG-O 3.47Å; C175-V204 HydrophobicContact CB-CG2 4.25Å
176K86.5Confident79.6Confident101 Ų10167.6 Ų67.644%0.43936%0.362SS..Hα-helixtrans-69.3-44.5178-175.5172.1-179.5172.90111.6P173 Q174 D178 Y179 D180P173-K176 PolarHBondContact O-N 2.55Å; Q174-K176 VanDerWaalsContact C-N 3.28Å; Q174-K176 PolarHBondContact O-N 2.82Å; K176-D178 PolarHBondContact O-N 3.42Å; K176-Y179 PolarHBondContact O-N 3.16Å; K176-D180 WeakPolarHBondContact O-CB 3.19Å; K176-D180 VanDerWaalsContact O-CG 3.26Å; K176-D180 PolarHBondContact O-N 3.27Å
177K88.5Confident81.5Confident120 Ų12067.5 Ų67.552%0.52235%0.347SS..Hα-helixtrans-59.6-46.5177.4-68.2178.9-178.1175.10112P173 Q174 Y179 D180 D181P173-K177 PolarHBondContact O-N 3.1Å; Q174-K177 PolarHBondContact O-N 3.09Å; K177-Y179 VanDerWaalsContact C-N 3.31Å; K177-Y179 PolarHBondContact O-N 2.63Å; K177-D180 PolarHBondContact O-N 2.59Å; K177-D181 PolarHBondContact O-N 2.99Å
178D89.5Confident83.3Confident2 Ų269.4 Ų69.41%0.01135%0.352CS..Hα-helixtrans-65.6-37.7-179.9-68.2-24.7000111.7Q174 K176 D181 M182 L191 V204 K207Q174-D178 PolarHBondContact NE2-OD1 3.37Å; Q174-D178 WeakPolarHBondContact O-CB 3.32Å; Q174-D178 VanDerWaalsContact O-CG 3.22Å; Q174-D178 PolarHBondContact O-N 3.31Å; K176-D178 PolarHBondContact O-N 3.42Å; D178-D181 PolarHBondContact O-N 3.38Å; D178-M182 WeakPolarHBondContact O-CB 3.24Å; D178-M182 PolarHBondContact O-N 3.07Å; D178-L191 HydrophobicContact CB-CD1 4.19Å; D178-L191 HydrophobicContact CB-CD2 4.17Å; D178-V204 HydrophobicContact CB-CG2 4.34Å; D178-V204 WeakPolarHBondContact OD2-CG2 3.22Å; D178-K207 VanDerWaalsContact CG-CE 3.41Å; D178-K207 IonicContact OD1-NZ 2.68Å; D178-K207 PolarHBondContact OD1-NZ 2.81Å; D178-K207 WeakPolarHBondContact OD2-CE 3.17Å; D178-K207 IonicContact OD2-NZ 2.81Å; D178-K207 PolarHBondContact OD2-NZ 3.12Å
179Y87.4Confident84.7Confident10 Ų1067.4 Ų67.44%0.03933%0.327CS..Hα-helixtrans-65.5-43.9173.4179.9-93.7000112.3C175 K176 K177 D181 M182 H183 V256 L285 L287C175-Y179 VanDerWaalsContact O-CB 3.3Å; C175-Y179 WeakPolarHBondContact O-CB 3.32Å; C175-Y179 PolarHBondContact O-N 3.18Å; C175-Y179 VanDerWaalsContact O-N 3.08Å; K176-Y179 PolarHBondContact O-N 3.16Å; K177-Y179 VanDerWaalsContact C-N 3.31Å; K177-Y179 PolarHBondContact O-N 2.63Å; Y179-D181 VanDerWaalsContact C-N 3.31Å; Y179-D181 PolarHBondContact O-N 2.87Å; Y179-M182 HydrophobicContact CD2-CE 3.58Å; Y179-M182 HydrophobicContact CE2-CE 3.53Å; Y179-M182 WeakPolarHBondContact O-CB 3.36Å; Y179-M182 PolarHBondContact O-N 3Å; Y179-M182 VanDerWaalsContact O-N 3.17Å; Y179-H183 HydrophobicContact CE1-CB 4.18Å; Y179-H183 WeakPolarHBondContact O-CB 3.25Å; Y179-H183 PolarHBondContact O-N 3.17Å; Y179-V256 HydrophobicContact CE2-CG1 4.17Å; Y179-L285 HydrophobicContact CD1-CB 4.25Å; Y179-L285 HydrophobicContact CD1-CD2 4.32Å; Y179-L285 HydrophobicContact CD2-CB 4.42Å; Y179-L285 HydrophobicContact CD2-CD1 4.22Å; Y179-L285 HydrophobicContact CD2-CD2 4.42Å; Y179-L285 HydrophobicContact CE1-CB 4.48Å; Y179-L285 WeakPolarHBondContact CE1-O 3.04Å; Y179-L285 HydrophobicContact CG-CB 4.23Å; Y179-L285 HydrophobicContact CG-CD1 4.46Å; Y179-L285 HydrophobicContact CG-CD2 3.85Å; Y179-L285 HydrophobicContact CG-CG 4.4Å; Y179-L287 HydrophobicContact CE2-CD1 4.46Å; Y179-L287 HydrophobicContact CE2-CD2 3.57Å; Y179-L287 HydrophobicContact CE2-CG 4.25Å; Y179-L287 WeakPolarHBondContact OH-CD2 3.44Å
180D86.3Confident85.5Confident70 Ų7067.1 Ų67.137%0.37432%0.324SS..Hα-helixtrans-63-38.4176.2-69.8-24.8000111.1K176 K177 S184K176-D180 WeakPolarHBondContact O-CB 3.19Å; K176-D180 VanDerWaalsContact O-CG 3.26Å; K176-D180 PolarHBondContact O-N 3.27Å; K177-D180 PolarHBondContact O-N 2.59Å; D180-S184 WeakPolarHBondContact O-CA 3.34Å; D180-S184 WeakPolarHBondContact O-CB 3.1Å; D180-S184 PolarHBondContact O-N 3.4Å; D180-S184 PolarHBondContact O-OG 3.15Å
181D87.4Confident85.9Confident35 Ų3559.7 Ų59.719%0.18729%0.292CS..Hα-helixtrans-67.6-34.8173.6-76.5-30.9000112.3K177 D178 Y179 R185 K186 M187 Y188K177-D181 PolarHBondContact O-N 2.99Å; D178-D181 PolarHBondContact O-N 3.38Å; Y179-D181 VanDerWaalsContact C-N 3.31Å; Y179-D181 PolarHBondContact O-N 2.87Å; D181-R185 CarbonylContact O-C 3.43Å; D181-R185 WeakPolarHBondContact O-CA 3.21Å; D181-R185 VanDerWaalsContact O-CB 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.08Å; D181-R185 PolarHBondContact O-N 2.94Å; D181-R185 VanDerWaalsContact OD1-CD 3.3Å; D181-R185 WeakPolarHBondContact OD1-CD 3.4Å; D181-R185 IonicContact OD1-CZ 3.56Å; D181-R185 IonicContact OD1-NE 3.52Å; D181-R185 IonicContact OD1-NH1 3.21Å; D181-R185 PolarHBondContact OD1-NH1 3.34Å; D181-K186 PolarHBondContact O-N 3.08Å; D181-K186 VanDerWaalsContact O-N 3.13Å; D181-M187 HydrophobicContact CB-SD 4.39Å; D181-M187 PolarHBondContact O-N 2.88Å; D181-M187 VanDerWaalsContact O-N 3.13Å; D181-Y188 HydrophobicContact CB-CD2 4.36Å; D181-Y188 HydrophobicContact CB-CE2 4.12Å
182M84.4Confident86.2Confident0 Ų057.7 Ų57.70%028%0.282CS..Hα-helixtrans-68-51.5172.5-173.8-17170.300111.2D178 Y179 K186 Y188 L191 C235 V256D178-M182 WeakPolarHBondContact O-CB 3.24Å; D178-M182 PolarHBondContact O-N 3.07Å; Y179-M182 HydrophobicContact CD2-CE 3.58Å; Y179-M182 HydrophobicContact CE2-CE 3.53Å; Y179-M182 WeakPolarHBondContact O-CB 3.36Å; Y179-M182 PolarHBondContact O-N 3Å; Y179-M182 VanDerWaalsContact O-N 3.17Å; M182-K186 WeakPolarHBondContact O-CA 3.47Å; M182-K186 PolarHBondContact O-N 3.26Å; M182-K186 VanDerWaalsContact O-N 3.14Å; M182-Y188 VanDerWaalsContact CG-O 3.24Å; M182-Y188 WeakPolarHBondContact CG-O 3.43Å; M182-L191 HydrophobicContact CB-CD1 3.96Å; M182-L191 HydrophobicContact CB-CG 4.43Å; M182-L191 HydrophobicContact CE-CD1 4.27Å; M182-L191 HydrophobicContact CG-CD1 4.42Å; M182-L191 HydrophobicContact SD-CB 4.39Å; M182-L191 HydrophobicContact SD-CD1 3.77Å; M182-L191 HydrophobicContact SD-CG 3.73Å; M182-C235 HydrophobicContact CE-CB 3.94Å; M182-C235 HydrophobicContact SD-CB 4.35Å; M182-V256 HydrophobicContact CE-CG1 3.79Å; M182-V256 HydrophobicContact CE-CG2 4.13Å
183H79.3Confident86.4Confident103 Ų10354.9 Ų54.948%0.47727%0.267SS..Hα-helixtrans-76.2-46-172.6-172.663.6000112.9Y179Y179-H183 HydrophobicContact CE1-CB 4.18Å; Y179-H183 WeakPolarHBondContact O-CB 3.25Å; Y179-H183 PolarHBondContact O-N 3.17Å
184S79.6Confident86.7Confident90 Ų9052.6 Ų52.663%0.62925%0.246SC*.THydrogen-bonded Turntrans-86.9-42.4-174.9-54.70000112.1D180D180-S184 WeakPolarHBondContact O-CA 3.34Å; D180-S184 WeakPolarHBondContact O-CB 3.1Å; D180-S184 PolarHBondContact O-N 3.4Å; D180-S184 PolarHBondContact O-OG 3.15Å
185R80.6Confident86.7Confident165 Ų16549.2 Ų49.262%0.62323%0.23SC*.THydrogen-bonded Turntrans-97.9-9.3-175.6-56.3-175.5176.3172.7-7.7113.7D181 M187D181-R185 CarbonylContact O-C 3.43Å; D181-R185 WeakPolarHBondContact O-CA 3.21Å; D181-R185 VanDerWaalsContact O-CB 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.08Å; D181-R185 PolarHBondContact O-N 2.94Å; D181-R185 VanDerWaalsContact OD1-CD 3.3Å; D181-R185 WeakPolarHBondContact OD1-CD 3.4Å; D181-R185 IonicContact OD1-CZ 3.56Å; D181-R185 IonicContact OD1-NE 3.52Å; D181-R185 IonicContact OD1-NH1 3.21Å; D181-R185 PolarHBondContact OD1-NH1 3.34Å; R185-M187 HydrophobicContact CB-CG 3.74Å; R185-M187 HydrophobicContact CB-SD 4.18Å; R185-M187 PolarHBondContact O-N 3.49Å; R185-M187 VanDerWaalsContact O-N 3.11Å
186K79.9Confident86.7Confident94 Ų9450 Ų5041%0.40924%0.236SC..  trans50.734-175.3-56.7-175-176.5-178.70112D181 M182 Y188 R210D181-K186 PolarHBondContact O-N 3.08Å; D181-K186 VanDerWaalsContact O-N 3.13Å; M182-K186 WeakPolarHBondContact O-CA 3.47Å; M182-K186 PolarHBondContact O-N 3.26Å; M182-K186 VanDerWaalsContact O-N 3.14Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-R210 VanDerWaalsContact O-CD 3.28Å; K186-R210 WeakPolarHBondContact O-CD 3.32Å; K186-R210 WeakPolarHBondContact O-CG 3.33Å
187M82.6Confident86.5Confident92 Ų9251 Ų5145%0.45325%0.246SC..  trans-72.9-29.2-179.6-79.9-174.9159.700111.9D181 R185 R210D181-M187 HydrophobicContact CB-SD 4.39Å; D181-M187 PolarHBondContact O-N 2.88Å; D181-M187 VanDerWaalsContact O-N 3.13Å; R185-M187 HydrophobicContact CB-CG 3.74Å; R185-M187 HydrophobicContact CB-SD 4.18Å; R185-M187 PolarHBondContact O-N 3.49Å; R185-M187 VanDerWaalsContact O-N 3.11Å; M187-R210 PolarHBondContact O-N 3.44Å
188Y87Confident86.1Confident59 Ų5951 Ų5123%0.23125%0.252CS..EExtended strand (participates in β ladder)trans-122.9145.1-179.3-54.3-59.8000109.6D181 M182 K186 L191 K207 G208D181-Y188 HydrophobicContact CB-CD2 4.36Å; D181-Y188 HydrophobicContact CB-CE2 4.12Å; M182-Y188 VanDerWaalsContact CG-O 3.24Å; M182-Y188 WeakPolarHBondContact CG-O 3.43Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; Y188-L191 HydrophobicContact CD2-CD2 4.22Å; Y188-L191 HydrophobicContact CG-CD2 4.33Å; Y188-K207 HydrophobicContact CD1-CB 3.87Å; Y188-K207 HydrophobicContact CE1-CB 3.99Å; Y188-K207 HydrophobicContact CE1-CD 4.16Å; Y188-K207 HydrophobicContact CE2-CD 4.02Å; Y188-K207 HydrophobicContact CG-CB 4.25Å; Y188-G208 CarbonylContact C-O 3.52Å; Y188-G208 WeakPolarHBondContact CA-O 3.5Å; Y188-G208 VanDerWaalsContact CB-O 3.24Å; Y188-G208 WeakPolarHBondContact CB-O 3.41Å; Y188-G208 WeakPolarHBondContact CD1-O 3.34Å
189S86.8Confident85.7Confident23 Ų2353 Ų5316%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-92.6-25.7174.5-74.80000112.2G208 Q209 G211 D237S189-G208 PolarHBondContact N-O 3.42Å; S189-Q209 PolarHBondContact OG-O 2.73Å; S189-G211 PolarHBondContact OG-N 3.35Å; S189-D237 PolarHBondContact O-N 3.37Å
190Y90.9Very high85.5Confident12 Ų1255.9 Ų55.95%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-150.6158.4174.165.9-96.6000111.5I192 G208 A212 F217 E220 C235Y190-I192 HydrophobicContact CD2-CD1 4.37Å; Y190-I192 HydrophobicContact CD2-CG1 4.12Å; Y190-I192 HydrophobicContact CE2-CD1 4.12Å; Y190-I192 HydrophobicContact CE2-CG1 4.31Å; Y190-G208 PolarHBondContact O-N 2.89Å; Y190-A212 HydrophobicContact CD1-CB 4Å; Y190-A212 HydrophobicContact CE1-CB 3.56Å; Y190-F217 HydrophobicContact CD1-CB 3.81Å; Y190-F217 HydrophobicContact CD1-CD2 4.36Å; Y190-F217 HydrophobicContact CD2-CB 4.4Å; Y190-F217 AromaticContact CD2-CD2 3.58Å; Y190-F217 HydrophobicContact CD2-CD2 3.58Å; Y190-F217 HydrophobicContact CD2-CE2 4.38Å; Y190-F217 HydrophobicContact CD2-CG 4.46Å; Y190-F217 HydrophobicContact CE1-CB 4.22Å; Y190-F217 HydrophobicContact CE2-CD2 4.34Å; Y190-F217 HydrophobicContact CG-CB 3.92Å; Y190-F217 AromaticContact CG-CD2 3.59Å; Y190-F217 HydrophobicContact CG-CD2 3.59Å; Y190-F217 HydrophobicContact CG-CG 4.15Å; Y190-E220 HydrophobicContact CE2-CB 4.49Å; Y190-E220 WeakPolarHBondContact OH-CG 3.34Å; Y190-C235 CarbonylContact C-O 3.43Å; Y190-C235 WeakPolarHBondContact CA-O 3.36Å; Y190-C235 WeakPolarHBondContact CB-O 3.45Å
191L91.8Very high85.5Confident0 Ų054.3 Ų54.30%027%0.274CS..EExtended strand (participates in β ladder)trans-132.4132.9173.2-65171.3000108.8D178 M182 Y188 F193 V204 K207 G234 C235D178-L191 HydrophobicContact CB-CD1 4.19Å; D178-L191 HydrophobicContact CB-CD2 4.17Å; M182-L191 HydrophobicContact CB-CD1 3.96Å; M182-L191 HydrophobicContact CB-CG 4.43Å; M182-L191 HydrophobicContact CE-CD1 4.27Å; M182-L191 HydrophobicContact CG-CD1 4.42Å; M182-L191 HydrophobicContact SD-CB 4.39Å; M182-L191 HydrophobicContact SD-CD1 3.77Å; M182-L191 HydrophobicContact SD-CG 3.73Å; Y188-L191 HydrophobicContact CD2-CD2 4.22Å; Y188-L191 HydrophobicContact CG-CD2 4.33Å; L191-F193 HydrophobicContact CB-CE2 3.68Å; L191-F193 HydrophobicContact CB-CZ 3.77Å; L191-F193 HydrophobicContact CD1-CZ 3.93Å; L191-V204 HydrophobicContact CD2-CG1 4.49Å; L191-K207 HydrophobicContact CD2-CB 3.89Å; L191-K207 HydrophobicContact CD2-CD 4.3Å; L191-K207 HydrophobicContact CD2-CG 3.71Å; L191-G234 CarbonylContact O-C 3.56Å; L191-G234 VanDerWaalsContact O-CA 3.31Å; L191-G234 WeakPolarHBondContact O-CA 3.26Å; L191-C235 HydrophobicContact CB-CB 4.47Å; L191-C235 PolarHBondContact N-O 3.04Å; L191-C235 PolarHBondContact O-N 3.38Å
192I92.7Very high85.7Confident1 Ų152.7 Ų52.71%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-110.3127.8173.3-59.3175.3000107.6Y190 E205 K206 F217 E220 L221 R232 Y233Y190-I192 HydrophobicContact CD2-CD1 4.37Å; Y190-I192 HydrophobicContact CD2-CG1 4.12Å; Y190-I192 HydrophobicContact CE2-CD1 4.12Å; Y190-I192 HydrophobicContact CE2-CG1 4.31Å; I192-E205 HydrophobicContact CG2-CB 4.34Å; I192-E205 WeakPolarHBondContact CG2-OE2 3.24Å; I192-E205 PolarHBondContact O-N 2.76Å; I192-K206 HydrophobicContact CB-CB 4.3Å; I192-K206 HydrophobicContact CD1-CB 4.44Å; I192-K206 PolarHBondContact N-O 3.24Å; I192-K206 PolarHBondContact O-N 2.99Å; I192-F217 HydrophobicContact CD1-CD2 4.5Å; I192-F217 HydrophobicContact CG1-CD2 4.31Å; I192-F217 HydrophobicContact CG1-CE2 4.1Å; I192-E220 HydrophobicContact CD1-CB 3.74Å; I192-L221 HydrophobicContact CD1-CD2 4.07Å; I192-L221 HydrophobicContact CD1-CG 4.09Å; I192-L221 HydrophobicContact CG1-CD2 4.14Å; I192-L221 HydrophobicContact CG1-CG 4.46Å; I192-L221 HydrophobicContact CG2-CD2 4.08Å; I192-R232 HydrophobicContact CG2-CB 4.28Å; I192-R232 HydrophobicContact CG2-CG 4.46Å; I192-Y233 CarbonylContact C-O 3.59Å; I192-Y233 WeakPolarHBondContact CA-O 3.37Å
193F92.1Very high86Confident0 Ų054.6 Ų54.60%028%0.275CS..EExtended strand (participates in β ladder)trans-113145.2177.7-49.4-98.4000110.2C175 L191 I202 I203 V204 Y233 C235 L281 L285C175-F193 HydrophobicContact CB-CD1 4.13Å; C175-F193 HydrophobicContact CB-CE1 3.77Å; L191-F193 HydrophobicContact CB-CE2 3.68Å; L191-F193 HydrophobicContact CB-CZ 3.77Å; L191-F193 HydrophobicContact CD1-CZ 3.93Å; F193-I202 HydrophobicContact CB-CG2 4.03Å; F193-I202 HydrophobicContact CD1-CG2 4.42Å; F193-I203 WeakPolarHBondContact CA-O 3.47Å; F193-V204 HydrophobicContact CD1-CG2 3.77Å; F193-V204 HydrophobicContact CE1-CG2 3.64Å; F193-Y233 HydrophobicContact CB-CD2 4.32Å; F193-Y233 PolarHBondContact N-O 2.86Å; F193-Y233 PolarHBondContact O-N 2.85Å; F193-C235 HydrophobicContact CE2-CB 4.18Å; F193-L281 HydrophobicContact CB-CD2 4.47Å; F193-L281 HydrophobicContact CG-CD2 4.41Å; F193-L285 HydrophobicContact CE2-CD1 4.37Å; F193-L285 HydrophobicContact CZ-CD1 4.01Å
194R91.3Very high86.6Confident48 Ų4851.1 Ų51.118%0.18126%0.261CS..EExtended strand (participates in β ladder)trans-130153.5171.472.3178.8-17296.3-10.2110.2D197 I203 E205 Y274R194-D197 IonicContact CZ-OD2 2.63Å; R194-D197 IonicContact NH1-OD1 3.55Å; R194-D197 PolarHBondContact NH1-OD1 3.01Å; R194-D197 IonicContact NH1-OD2 3.25Å; R194-D197 PolarHBondContact NH1-OD2 2.62Å; R194-D197 IonicContact NH2-OD2 2.89Å; R194-D197 PolarHBondContact NH2-OD2 3.14Å; R194-I203 HydrophobicContact CG-CD1 4.18Å; R194-I203 HydrophobicContact CG-CG1 3.82Å; R194-I203 PolarHBondContact N-O 2.63Å; R194-I203 PolarHBondContact O-N 2.94Å; R194-I203 VanDerWaalsContact O-O 3.09Å; R194-E205 HydrophobicContact CB-CB 4.34Å; R194-E205 HydrophobicContact CG-CB 4.04Å; R194-Y274 WeakPolarHBondContact CA-OH 3.39Å
195I89.3Confident87.1Confident8 Ų850.1 Ų50.14%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-73.9134.7161.2-55.7179.9000107.1V169 I202 L273 Y274V169-I195 HydrophobicContact CG1-CG2 4.41Å; I195-I202 HydrophobicContact CG1-CG1 4Å; I195-L273 HydrophobicContact CD1-CB 4.06Å; I195-Y274 HydrophobicContact CB-CE2 4.01Å; I195-Y274 HydrophobicContact CD1-CD1 4.41Å; I195-Y274 HydrophobicContact CD1-CD2 3.56Å; I195-Y274 HydrophobicContact CD1-CE1 4.4Å; I195-Y274 HydrophobicContact CD1-CE2 3.61Å; I195-Y274 HydrophobicContact CD1-CG 3.99Å; I195-Y274 HydrophobicContact CG1-CD2 4.18Å; I195-Y274 HydrophobicContact CG1-CE1 4.15Å; I195-Y274 HydrophobicContact CG1-CE2 3.73Å; I195-Y274 PolarHBondContact N-OH 3.2Å
196S86.3Confident87.5Confident17 Ų1746.1 Ų46.112%0.11923%0.233CC..  trans-55.5156.6174.2-173.20000110.3D198 D199 T201S196-D198 PolarHBondContact O-N 3.42Å; S196-D198 VanDerWaalsContact O-N 3.11Å; S196-D199 PolarHBondContact O-N 3.27Å; S196-T201 WeakPolarHBondContact CB-O 3.5Å; S196-T201 WeakPolarHBondContact CB-OG1 3.46Å; S196-T201 PolarHBondContact N-O 2.85Å
197D82.2Confident88.1Confident123 Ų12345.1 Ų45.166%0.65823%0.229SC*.THydrogen-bonded Turntrans-63.2-19.8-179.5-54.5-63.9000112.1R194 D199R194-D197 IonicContact CZ-OD2 2.63Å; R194-D197 IonicContact NH1-OD1 3.55Å; R194-D197 PolarHBondContact NH1-OD1 3.01Å; R194-D197 IonicContact NH1-OD2 3.25Å; R194-D197 PolarHBondContact NH1-OD2 2.62Å; R194-D197 IonicContact NH2-OD2 2.89Å; R194-D197 PolarHBondContact NH2-OD2 3.14Å; D197-D199 VanDerWaalsContact C-N 3.26Å; D197-D199 PolarHBondContact O-N 3.11Å
198D81.5Confident88.4Confident119 Ų11940.8 Ų40.864%0.63621%0.208SC*.THydrogen-bonded Turntrans-78.60.8173-59.1-46.2000114.1S196 T200S196-D198 PolarHBondContact O-N 3.42Å; S196-D198 VanDerWaalsContact O-N 3.11Å; D198-T200 WeakPolarHBondContact CB-OG1 3.36Å; D198-T200 WeakPolarHBondContact O-CG2 3.38Å; D198-T200 PolarHBondContact O-N 3.03Å
199D80.5Confident88.3Confident43 Ų4345.6 Ų45.623%0.2323%0.233CC..SBendtrans56.218.4-177.4-71.6-22000114.5V169 S196 D197 R269 L273V169-D199 WeakPolarHBondContact CG2-O 3.39Å; S196-D199 PolarHBondContact O-N 3.27Å; D197-D199 VanDerWaalsContact C-N 3.26Å; D197-D199 PolarHBondContact O-N 3.11Å; D199-R269 IonicContact OD2-CZ 3.36Å; D199-R269 IonicContact OD2-NE 2.65Å; D199-R269 PolarHBondContact OD2-NE 2.93Å; D199-R269 IonicContact OD2-NH2 3.16Å; D199-R269 PolarHBondContact OD2-NH2 3.27Å; D199-L273 HydrophobicContact CB-CD1 3.84Å; D199-L273 WeakPolarHBondContact OD2-CD1 3.33Å
200T82.7Confident88.1Confident71 Ų7153.9 Ų53.944%0.43626%0.26SS..SBendtrans-122.2-13.3-17050.70000115.1V169 K170 D198V169-T200 CarbonylContact C-O 3.6Å; V169-T200 WeakPolarHBondContact CA-O 3.26Å; K170-T200 PolarHBondContact N-O 2.92Å; D198-T200 WeakPolarHBondContact CB-OG1 3.36Å; D198-T200 WeakPolarHBondContact O-CG2 3.38Å; D198-T200 PolarHBondContact O-N 3.03Å
201T86.8Confident87.6Confident38 Ų3856.5 Ų56.523%0.23329%0.291CS..EExtended strand (participates in β ladder)trans-139134.8-179.356.20000111.7K170 S196K170-T201 HydrophobicContact CB-CG2 4.25Å; K170-T201 CarbonylContact O-C 3.57Å; K170-T201 WeakPolarHBondContact O-CA 3.4Å; S196-T201 WeakPolarHBondContact CB-O 3.5Å; S196-T201 WeakPolarHBondContact CB-OG1 3.46Å; S196-T201 PolarHBondContact N-O 2.85Å
202I90.6Very high87.3Confident1 Ų157.4 Ų57.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-85.2126.7166.4-68.7155.4000108.6V169 K170 I171 D172 C175 F193 I195 L281V169-I202 HydrophobicContact CG1-CD1 3.91Å; V169-I202 HydrophobicContact CG1-CG1 3.62Å; K170-I202 PolarHBondContact O-N 2.69Å; I171-I202 HydrophobicContact CG1-CD1 4.09Å; D172-I202 WeakPolarHBondContact CB-O 3.35Å; D172-I202 PolarHBondContact N-O 3.13Å; C175-I202 PolarHBondContact SG-O 3.47Å; F193-I202 HydrophobicContact CB-CG2 4.03Å; F193-I202 HydrophobicContact CD1-CG2 4.42Å; I195-I202 HydrophobicContact CG1-CG1 4Å; I202-L281 HydrophobicContact CD1-CB 4.1Å; I202-L281 HydrophobicContact CD1-CD1 4.43Å; I202-L281 HydrophobicContact CG2-CD1 3.96Å; I202-L281 HydrophobicContact CG2-CD2 4.29Å
203I90.9Very high86.9Confident39 Ų3959.9 Ų59.920%0.232%0.316CS..EExtended strand (participates in β ladder)trans-127.2156.5-179.554.2165.8000110.6D172 F193 R194D172-I203 HydrophobicContact CB-CG2 3.94Å; F193-I203 WeakPolarHBondContact CA-O 3.47Å; R194-I203 HydrophobicContact CG-CD1 4.18Å; R194-I203 HydrophobicContact CG-CG1 3.82Å; R194-I203 PolarHBondContact N-O 2.63Å; R194-I203 PolarHBondContact O-N 2.94Å; R194-I203 VanDerWaalsContact O-O 3.09Å
204V91.9Very high86.6Confident31 Ų3160.9 Ų60.919%0.18832%0.32CS..EExtended strand (participates in β ladder)trans-77.6121.9173-176.20000108.9C175 D178 L191 F193 K207C175-V204 HydrophobicContact CB-CG2 4.25Å; D178-V204 HydrophobicContact CB-CG2 4.34Å; D178-V204 WeakPolarHBondContact OD2-CG2 3.22Å; L191-V204 HydrophobicContact CD2-CG1 4.49Å; F193-V204 HydrophobicContact CD1-CG2 3.77Å; F193-V204 HydrophobicContact CE1-CG2 3.64Å; V204-K207 HydrophobicContact CG1-CD 4.46Å; V204-K207 HydrophobicContact CG1-CG 3.77Å
205E90.4Very high86.3Confident68 Ų6865 Ų6532%0.31834%0.339SS..EExtended strand (participates in β ladder)trans-86.5-45.8176.4-176.1175.9-146.200111.3I192 R194 R232I192-E205 HydrophobicContact CG2-CB 4.34Å; I192-E205 WeakPolarHBondContact CG2-OE2 3.24Å; I192-E205 PolarHBondContact O-N 2.76Å; R194-E205 HydrophobicContact CB-CB 4.34Å; R194-E205 HydrophobicContact CG-CB 4.04Å; E205-R232 VanDerWaalsContact CD-NE 3.25Å; E205-R232 IonicContact OE1-CZ 2.7Å; E205-R232 IonicContact OE1-NE 2.65Å; E205-R232 PolarHBondContact OE1-NE 2.87Å; E205-R232 VanDerWaalsContact OE1-NE 3.16Å; E205-R232 IonicContact OE1-NH2 3.95Å; E205-R232 PolarHBondContact OE1-NH2 3.48Å; E205-R232 WeakPolarHBondContact OE2-CD 3.21Å; E205-R232 IonicContact OE2-CZ 3.69Å; E205-R232 IonicContact OE2-NE 3.21Å; E205-R232 PolarHBondContact OE2-NE 3.12Å; E205-R232 IonicContact OE2-NH2 3.34Å
206K89.9Confident86.3Confident81 Ų8168.9 Ų68.935%0.35236%0.357SS..EExtended strand (participates in β ladder)trans-148.5143.7-176.5-164154.9-179.1168.40112.1I192 E220I192-K206 HydrophobicContact CB-CB 4.3Å; I192-K206 HydrophobicContact CD1-CB 4.44Å; I192-K206 PolarHBondContact N-O 3.24Å; I192-K206 PolarHBondContact O-N 2.99Å; K206-E220 HydrophobicContact CD-CG 4.24Å; K206-E220 VanDerWaalsContact CD-OE2 3.3Å; K206-E220 WeakPolarHBondContact CD-OE2 3.29Å; K206-E220 VanDerWaalsContact CE-CD 3.45Å; K206-E220 VanDerWaalsContact CE-OE2 3.25Å; K206-E220 WeakPolarHBondContact CE-OE2 3.39Å; K206-E220 IonicContact NZ-OE1 3.3Å; K206-E220 PolarHBondContact NZ-OE1 2.98Å; K206-E220 IonicContact NZ-OE2 3.12Å; K206-E220 PolarHBondContact NZ-OE2 2.81Å
207K92Very high86.4Confident74 Ų7468.1 Ų68.132%0.32235%0.352SS..EExtended strand (participates in β ladder)trans-118.1122.8176.5-47.2-177.6-163.1-176.80108.6D178 Y188 L191 V204D178-K207 VanDerWaalsContact CG-CE 3.41Å; D178-K207 IonicContact OD1-NZ 2.68Å; D178-K207 PolarHBondContact OD1-NZ 2.81Å; D178-K207 WeakPolarHBondContact OD2-CE 3.17Å; D178-K207 IonicContact OD2-NZ 2.81Å; D178-K207 PolarHBondContact OD2-NZ 3.12Å; Y188-K207 HydrophobicContact CD1-CB 3.87Å; Y188-K207 HydrophobicContact CE1-CB 3.99Å; Y188-K207 HydrophobicContact CE1-CD 4.16Å; Y188-K207 HydrophobicContact CE2-CD 4.02Å; Y188-K207 HydrophobicContact CG-CB 4.25Å; L191-K207 HydrophobicContact CD2-CB 3.89Å; L191-K207 HydrophobicContact CD2-CD 4.3Å; L191-K207 HydrophobicContact CD2-CG 3.71Å; V204-K207 HydrophobicContact CG1-CD 4.46Å; V204-K207 HydrophobicContact CG1-CG 3.77Å
208G88.3Confident86.6Confident1 Ų163.8 Ų63.81%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-79.7128.6174.400000110.9Y188 S189 Y190Y188-G208 CarbonylContact C-O 3.52Å; Y188-G208 WeakPolarHBondContact CA-O 3.5Å; Y188-G208 VanDerWaalsContact CB-O 3.24Å; Y188-G208 WeakPolarHBondContact CB-O 3.41Å; Y188-G208 WeakPolarHBondContact CD1-O 3.34Å; S189-G208 PolarHBondContact N-O 3.42Å; Y190-G208 PolarHBondContact O-N 2.89Å
209Q85.1Confident86.9Confident159 Ų15962.5 Ų62.574%0.74332%0.321SS*.EExtended strand (participates in β ladder)trans-62.6156.5176.9-65.2-175.75.700111.3S189 G211 A212S189-Q209 PolarHBondContact OG-O 2.73Å; Q209-G211 PolarHBondContact O-N 3.32Å; Q209-A212 WeakPolarHBondContact O-CB 3.37Å; Q209-A212 PolarHBondContact O-N 2.86Å; Q209-A212 VanDerWaalsContact O-N 3.1Å
210R82.8Confident87.3Confident197 Ų19762 Ų6274%0.74332%0.317SS*.THydrogen-bonded Turntrans-56.6122.6174.5-175.8-177179.4-162.2-2.4110.6K186 M187K186-R210 VanDerWaalsContact O-CD 3.28Å; K186-R210 WeakPolarHBondContact O-CD 3.32Å; K186-R210 WeakPolarHBondContact O-CG 3.33Å; M187-R210 PolarHBondContact O-N 3.44Å
211G81Confident87.6Confident67 Ų6758.7 Ų58.769%0.69130%0.296SS*.THydrogen-bonded Turntrans97.70.3179.700000114.2S189 Q209 S213S189-G211 PolarHBondContact OG-N 3.35Å; Q209-G211 PolarHBondContact O-N 3.32Å; G211-S213 PolarHBondContact O-N 2.95Å
212A84.7Confident87.5Confident19 Ų1958.2 Ų58.216%0.15730%0.297CS..  trans-60.6134.4172.300000110.6Y190 Q209 E216Y190-A212 HydrophobicContact CD1-CB 4Å; Y190-A212 HydrophobicContact CE1-CB 3.56Å; Q209-A212 WeakPolarHBondContact O-CB 3.37Å; Q209-A212 PolarHBondContact O-N 2.86Å; Q209-A212 VanDerWaalsContact O-N 3.1Å; A212-E216 WeakPolarHBondContact CB-OE2 3.34Å
213S84.4Confident87.4Confident53 Ų5364.7 Ų64.737%0.37133%0.325SS..  trans-72.1157.5-178.9630000111.9G211 K215 E216 F217G211-S213 PolarHBondContact O-N 2.95Å; S213-K215 PolarHBondContact O-N 3.44Å; S213-E216 PolarHBondContact N-OE1 2.95Å; S213-E216 WeakPolarHBondContact O-CB 3.45Å; S213-E216 PolarHBondContact O-N 3.13Å; S213-E216 WeakPolarHBondContact OG-CG 3.2Å; S213-E216 PolarHBondContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 2.9Å; S213-F217 PolarHBondContact O-N 2.94Å
214Y85.3Confident87Confident21 Ų2163.8 Ų63.88%0.08232%0.323CS..Hα-helixtrans-59.1-31.3174.5-176.7-92.4000112F217 Q218 V236 V238 L301 E303 I306Y214-F217 HydrophobicContact CD2-CD1 4.36Å; Y214-F217 HydrophobicContact CE2-CD1 4.02Å; Y214-F217 HydrophobicContact CE2-CE1 4.34Å; Y214-F217 WeakPolarHBondContact O-CB 3.46Å; Y214-F217 PolarHBondContact O-N 3.44Å; Y214-Q218 HydrophobicContact CD1-CG 4.04Å; Y214-Q218 VanDerWaalsContact CE1-CD 3.47Å; Y214-Q218 HydrophobicContact CE1-CG 3.61Å; Y214-Q218 PolarHBondContact O-N 3.44Å; Y214-V236 HydrophobicContact CD2-CG2 4.09Å; Y214-V236 HydrophobicContact CE2-CG1 4.14Å; Y214-V236 HydrophobicContact CE2-CG2 4.5Å; Y214-V238 HydrophobicContact CD2-CG2 4.45Å; Y214-L301 WeakPolarHBondContact CE1-O 3.48Å; Y214-L301 PolarHBondContact OH-O 2.93Å; Y214-E303 HydrophobicContact CD1-CB 3.49Å; Y214-E303 VanDerWaalsContact CD1-CB 3.49Å; Y214-E303 HydrophobicContact CD1-CG 3.66Å; Y214-E303 HydrophobicContact CE1-CB 3.76Å; Y214-E303 HydrophobicContact CE1-CG 4.26Å; Y214-E303 HydrophobicContact CG-CB 4.21Å; Y214-E303 HydrophobicContact CG-CG 3.85Å; Y214-I306 HydrophobicContact CE2-CD1 4.11Å; Y214-I306 WeakPolarHBondContact OH-CD1 3.3Å
215K86Confident86.5Confident136 Ų13662.8 Ų62.859%0.59132%0.316SS*.Hα-helixtrans-63.7-40.5172.9-70.2-171.9176.8-175.90113.1S213 F217 Q218 D219S213-K215 PolarHBondContact O-N 3.44Å; K215-F217 VanDerWaalsContact C-N 3.28Å; K215-F217 PolarHBondContact O-N 2.72Å; K215-Q218 WeakPolarHBondContact O-CB 3.28Å; K215-Q218 PolarHBondContact O-N 3.13Å; K215-D219 WeakPolarHBondContact O-CB 3.47Å; K215-D219 VanDerWaalsContact O-CG 3.3Å; K215-D219 PolarHBondContact O-N 3.35Å
216E88.5Confident85.8Confident89 Ų8962.1 Ų62.142%0.41633%0.328SS..Hα-helixtrans-62.1-38.9174.8-74.6160.9-116.500111.5A212 S213 D219 E220A212-E216 WeakPolarHBondContact CB-OE2 3.34Å; S213-E216 PolarHBondContact N-OE1 2.95Å; S213-E216 WeakPolarHBondContact O-CB 3.45Å; S213-E216 PolarHBondContact O-N 3.13Å; S213-E216 WeakPolarHBondContact OG-CG 3.2Å; S213-E216 PolarHBondContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 2.9Å; E216-D219 PolarHBondContact O-N 3.3Å; E216-E220 WeakPolarHBondContact O-CB 3.19Å; E216-E220 VanDerWaalsContact O-CG 3.23Å; E216-E220 WeakPolarHBondContact O-CG 3.01Å; E216-E220 PolarHBondContact O-N 3.33Å
217F88.6Confident84.9Confident0 Ų063.5 Ų63.50%035%0.348CS..Hα-helixtrans-61.9-45.3173.8168.8-110.2000112.1Y190 I192 S213 Y214 K215 E220 L221 V236 V259Y190-F217 HydrophobicContact CD1-CB 3.81Å; Y190-F217 HydrophobicContact CD1-CD2 4.36Å; Y190-F217 HydrophobicContact CD2-CB 4.4Å; Y190-F217 AromaticContact CD2-CD2 3.58Å; Y190-F217 HydrophobicContact CD2-CD2 3.58Å; Y190-F217 HydrophobicContact CD2-CE2 4.38Å; Y190-F217 HydrophobicContact CD2-CG 4.46Å; Y190-F217 HydrophobicContact CE1-CB 4.22Å; Y190-F217 HydrophobicContact CE2-CD2 4.34Å; Y190-F217 HydrophobicContact CG-CB 3.92Å; Y190-F217 AromaticContact CG-CD2 3.59Å; Y190-F217 HydrophobicContact CG-CD2 3.59Å; Y190-F217 HydrophobicContact CG-CG 4.15Å; I192-F217 HydrophobicContact CD1-CD2 4.5Å; I192-F217 HydrophobicContact CG1-CD2 4.31Å; I192-F217 HydrophobicContact CG1-CE2 4.1Å; S213-F217 PolarHBondContact O-N 2.94Å; Y214-F217 HydrophobicContact CD2-CD1 4.36Å; Y214-F217 HydrophobicContact CE2-CD1 4.02Å; Y214-F217 HydrophobicContact CE2-CE1 4.34Å; Y214-F217 WeakPolarHBondContact O-CB 3.46Å; Y214-F217 PolarHBondContact O-N 3.44Å; K215-F217 VanDerWaalsContact C-N 3.28Å; K215-F217 PolarHBondContact O-N 2.72Å; F217-E220 PolarHBondContact O-N 2.83Å; F217-L221 HydrophobicContact CD1-CD1 4.05Å; F217-L221 HydrophobicContact CD2-CD1 4.21Å; F217-L221 HydrophobicContact CD2-CG 4.33Å; F217-L221 HydrophobicContact CE1-CD1 3.46Å; F217-L221 VanDerWaalsContact CE1-CD1 3.46Å; F217-L221 HydrophobicContact CE2-CD1 3.66Å; F217-L221 HydrophobicContact CE2-CD2 4.49Å; F217-L221 HydrophobicContact CE2-CG 3.97Å; F217-L221 HydrophobicContact CG-CD1 4.42Å; F217-L221 HydrophobicContact CZ-CD1 3.27Å; F217-L221 HydrophobicContact CZ-CG 4.1Å; F217-L221 WeakPolarHBondContact O-CB 3.37Å; F217-L221 WeakPolarHBondContact O-CG 3.27Å; F217-L221 PolarHBondContact O-N 2.82Å; F217-V236 HydrophobicContact CD1-CB 4.15Å; F217-V236 HydrophobicContact CD1-CG1 4.24Å; F217-V236 HydrophobicContact CD1-CG2 4.31Å; F217-V236 HydrophobicContact CE1-CB 4.03Å; F217-V236 HydrophobicContact CE1-CG1 3.82Å; F217-V236 HydrophobicContact CE2-CB 4.4Å; F217-V236 HydrophobicContact CG-CB 4.36Å; F217-V236 HydrophobicContact CG-CG2 4.41Å; F217-V236 HydrophobicContact CZ-CB 4.13Å; F217-V236 HydrophobicContact CZ-CG1 4.14Å; F217-V259 HydrophobicContact CE1-CG2 4.39Å; F217-V259 HydrophobicContact CZ-CB 4.42Å; F217-V259 HydrophobicContact CZ-CG2 4.44Å
218Q87Confident83.9Confident33 Ų3360.7 Ų60.715%0.15434%0.339CS..Hα-helixtrans-60.6-46.6174.8-70.1177.2-47.700111.8Y214 K215 E220 L221 A222 L301Y214-Q218 HydrophobicContact CD1-CG 4.04Å; Y214-Q218 VanDerWaalsContact CE1-CD 3.47Å; Y214-Q218 HydrophobicContact CE1-CG 3.61Å; Y214-Q218 PolarHBondContact O-N 3.44Å; K215-Q218 WeakPolarHBondContact O-CB 3.28Å; K215-Q218 PolarHBondContact O-N 3.13Å; Q218-E220 VanDerWaalsContact C-N 3.3Å; Q218-E220 PolarHBondContact O-N 2.85Å; Q218-L221 PolarHBondContact O-N 2.87Å; Q218-A222 VanDerWaalsContact O-CB 3.31Å; Q218-A222 WeakPolarHBondContact O-CB 3.17Å; Q218-A222 PolarHBondContact O-N 2.84Å; Q218-L301 PolarHBondContact NE2-O 2.92Å
219D88.2Confident83.4Confident92 Ų9266.9 Ų66.949%0.49237%0.366SS..Hα-helixtrans-62.5-39179.7-73.1-18.2000111.3K215 E216 A222 K223K215-D219 WeakPolarHBondContact O-CB 3.47Å; K215-D219 VanDerWaalsContact O-CG 3.3Å; K215-D219 PolarHBondContact O-N 3.35Å; E216-D219 PolarHBondContact O-N 3.3Å; D219-A222 PolarHBondContact O-N 3.28Å; D219-K223 WeakPolarHBondContact O-CB 3.39Å; D219-K223 WeakPolarHBondContact O-CG 3.45Å; D219-K223 PolarHBondContact O-N 3.4Å
220E89.2Confident83.4Confident33 Ų3362 Ų6215%0.15434%0.343CS..Hα-helixtrans-71.1-38.3176.7-71.9-57.6158.700112.9Y190 I192 K206 E216 F217 Q218 K223 A224Y190-E220 HydrophobicContact CE2-CB 4.49Å; Y190-E220 WeakPolarHBondContact OH-CG 3.34Å; I192-E220 HydrophobicContact CD1-CB 3.74Å; K206-E220 HydrophobicContact CD-CG 4.24Å; K206-E220 VanDerWaalsContact CD-OE2 3.3Å; K206-E220 WeakPolarHBondContact CD-OE2 3.29Å; K206-E220 VanDerWaalsContact CE-CD 3.45Å; K206-E220 VanDerWaalsContact CE-OE2 3.25Å; K206-E220 WeakPolarHBondContact CE-OE2 3.39Å; K206-E220 IonicContact NZ-OE1 3.3Å; K206-E220 PolarHBondContact NZ-OE1 2.98Å; K206-E220 IonicContact NZ-OE2 3.12Å; K206-E220 PolarHBondContact NZ-OE2 2.81Å; E216-E220 WeakPolarHBondContact O-CB 3.19Å; E216-E220 VanDerWaalsContact O-CG 3.23Å; E216-E220 WeakPolarHBondContact O-CG 3.01Å; E216-E220 PolarHBondContact O-N 3.33Å; F217-E220 PolarHBondContact O-N 2.83Å; Q218-E220 VanDerWaalsContact C-N 3.3Å; Q218-E220 PolarHBondContact O-N 2.85Å; E220-K223 IonicContact OE1-NZ 2.73Å; E220-K223 PolarHBondContact OE1-NZ 2.84Å; E220-A224 VanDerWaalsContact O-CB 3.28Å; E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 3.28Å
221L87.2Confident83.6Confident0 Ų052.6 Ų52.60%031%0.308CS..Hα-helixtrans-63.2-43.2170.4-80.9175.2000111.6I192 F217 Q218 K223 A224 I225 R232 L261 L301I192-L221 HydrophobicContact CD1-CD2 4.07Å; I192-L221 HydrophobicContact CD1-CG 4.09Å; I192-L221 HydrophobicContact CG1-CD2 4.14Å; I192-L221 HydrophobicContact CG1-CG 4.46Å; I192-L221 HydrophobicContact CG2-CD2 4.08Å; F217-L221 HydrophobicContact CD1-CD1 4.05Å; F217-L221 HydrophobicContact CD2-CD1 4.21Å; F217-L221 HydrophobicContact CD2-CG 4.33Å; F217-L221 HydrophobicContact CE1-CD1 3.46Å; F217-L221 VanDerWaalsContact CE1-CD1 3.46Å; F217-L221 HydrophobicContact CE2-CD1 3.66Å; F217-L221 HydrophobicContact CE2-CD2 4.49Å; F217-L221 HydrophobicContact CE2-CG 3.97Å; F217-L221 HydrophobicContact CG-CD1 4.42Å; F217-L221 HydrophobicContact CZ-CD1 3.27Å; F217-L221 HydrophobicContact CZ-CG 4.1Å; F217-L221 WeakPolarHBondContact O-CB 3.37Å; F217-L221 WeakPolarHBondContact O-CG 3.27Å; F217-L221 PolarHBondContact O-N 2.82Å; Q218-L221 PolarHBondContact O-N 2.87Å; L221-K223 PolarHBondContact O-N 2.9Å; L221-A224 PolarHBondContact O-N 3.37Å; L221-A224 VanDerWaalsContact O-N 3.13Å; L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.23Å; L221-I225 PolarHBondContact O-N 3.43Å; L221-R232 HydrophobicContact CD2-CB 4.05Å; L221-L261 HydrophobicContact CB-CD2 3.97Å; L221-L261 HydrophobicContact CD1-CD2 4.17Å; L221-L261 HydrophobicContact CD2-CD2 4.28Å; L221-L261 HydrophobicContact CG-CD2 4.39Å; L221-L301 HydrophobicContact CD1-CD1 3.85Å
222A86.4Confident84.1Confident29 Ų2950.4 Ų50.424%0.2428%0.279CS..Hα-helixtrans-60.8-45.817800000111.6Q218 D219 A224 I225 G226 I298Q218-A222 VanDerWaalsContact O-CB 3.31Å; Q218-A222 WeakPolarHBondContact O-CB 3.17Å; Q218-A222 PolarHBondContact O-N 2.84Å; D219-A222 PolarHBondContact O-N 3.28Å; A222-A224 VanDerWaalsContact C-N 3.31Å; A222-A224 PolarHBondContact O-N 2.83Å; A222-I225 PolarHBondContact O-N 2.85Å; A222-G226 PolarHBondContact O-N 3.42Å; A222-G226 VanDerWaalsContact O-N 3.13Å; A222-I298 HydrophobicContact CB-CD1 3.46Å; A222-I298 VanDerWaalsContact CB-CD1 3.46Å; A222-I298 HydrophobicContact CB-CG1 4.14Å; A222-I298 HydrophobicContact CB-CG2 4.43Å
223K86.6Confident84.4Confident137 Ų13749.5 Ų49.560%0.59627%0.271SS*.Hα-helixtrans-60.9-39.8173.1-72168.7-165.31690111.9D219 E220 L221 G226D219-K223 WeakPolarHBondContact O-CB 3.39Å; D219-K223 WeakPolarHBondContact O-CG 3.45Å; D219-K223 PolarHBondContact O-N 3.4Å; E220-K223 IonicContact OE1-NZ 2.73Å; E220-K223 PolarHBondContact OE1-NZ 2.84Å; L221-K223 PolarHBondContact O-N 2.9Å; K223-G226 PolarHBondContact O-N 3.43Å
224A83.6Confident84.7Confident19 Ų1947 Ų4716%0.15725%0.254CS..Hα-helixtrans-71.4-34.7-178.100000113.4E220 L221 A222 G226 R232E220-A224 VanDerWaalsContact O-CB 3.28Å; E220-A224 WeakPolarHBondContact O-CB 3.43Å; E220-A224 PolarHBondContact O-N 3.28Å; L221-A224 PolarHBondContact O-N 3.37Å; L221-A224 VanDerWaalsContact O-N 3.13Å; A222-A224 VanDerWaalsContact C-N 3.31Å; A222-A224 PolarHBondContact O-N 2.83Å; A224-G226 VanDerWaalsContact C-N 3.27Å; A224-R232 HydrophobicContact CB-CG 3.96Å
225I80.6Confident85Confident10 Ų1046 Ų465%0.05125%0.25CC..Hα-helixtrans-68-33171.5-64.4160000110.9L221 A222 S227 G228 L261 P263 I298L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.23Å; L221-I225 PolarHBondContact O-N 3.43Å; A222-I225 PolarHBondContact O-N 2.85Å; I225-S227 PolarHBondContact O-N 3.41Å; I225-S227 VanDerWaalsContact O-N 3.12Å; I225-G228 VanDerWaalsContact CG2-CA 3.47Å; I225-G228 PolarHBondContact O-N 2.95Å; I225-L261 HydrophobicContact CD1-CD1 4.22Å; I225-L261 HydrophobicContact CD1-CD2 3.08Å; I225-L261 HydrophobicContact CD1-CG 3.56Å; I225-L261 HydrophobicContact CG1-CD2 3.88Å; I225-L261 HydrophobicContact CG1-CG 4.21Å; I225-P263 HydrophobicContact CG2-CG 3.95Å; I225-I298 HydrophobicContact CD1-CD1 3.93Å; I225-I298 HydrophobicContact CD1-CG1 3.66Å
226G75.9Confident85.1Confident55 Ų5539.8 Ų39.857%0.56722%0.223SC*.THydrogen-bonded Turntrans59.1-113.6-176.600000110.8A222 K223 A224 G228A222-G226 PolarHBondContact O-N 3.42Å; A222-G226 VanDerWaalsContact O-N 3.13Å; K223-G226 PolarHBondContact O-N 3.43Å; A224-G226 VanDerWaalsContact C-N 3.27Å; G226-G228 VanDerWaalsContact C-N 3.3Å; G226-G228 PolarHBondContact O-N 3.38Å
227S70.5Confident84.9Confident110 Ų11037 Ų3777%0.76921%0.212SC*.THydrogen-bonded Turntrans-87.828.9-176.6-490000114.7I225 K229I225-S227 PolarHBondContact O-N 3.41Å; I225-S227 VanDerWaalsContact O-N 3.12Å; S227-K229 VanDerWaalsContact C-N 3.32Å; S227-K229 PolarHBondContact O-N 2.64Å
228G73Confident84.6Confident14 Ų1437.4 Ų37.414%0.14421%0.214CC..THydrogen-bonded Turntrans78.68.417800000115.3I225 G226 P263 D265 A266I225-G228 VanDerWaalsContact CG2-CA 3.47Å; I225-G228 PolarHBondContact O-N 2.95Å; G226-G228 VanDerWaalsContact C-N 3.3Å; G226-G228 PolarHBondContact O-N 3.38Å; G228-P263 WeakPolarHBondContact O-CG 2.86Å; G228-D265 CarbonylContact O-C 3.59Å; G228-D265 WeakPolarHBondContact O-CB 3.47Å; G228-A266 PolarHBondContact O-N 3.36Å
229K77.1Confident84.2Confident131 Ų13140.3 Ų40.357%0.5723%0.227SC*.THydrogen-bonded Turntrans-100.8-15.6-174.2-66.8-177.2-178.3178.10114.4S227 A266 P267S227-K229 VanDerWaalsContact C-N 3.32Å; S227-K229 PolarHBondContact O-N 2.64Å; K229-A266 WeakPolarHBondContact O-CB 3.25Å; K229-P267 WeakPolarHBondContact O-CD 3.32Å
230E85.2Confident83.5Confident57 Ų5736.2 Ų36.227%0.26621%0.205SC..  trans-103.7143.8-177.6-63.2-59.9140.800110.8R232 P263 K270E230-R232 IonicContact OE2-NH1 2.76Å; E230-P263 WeakPolarHBondContact O-CD 3.46Å; E230-P263 WeakPolarHBondContact O-CG 3.15Å; E230-K270 IonicContact OE1-NZ 3.56Å; E230-K270 PolarHBondContact OE1-NZ 3.05Å; E230-K270 IonicContact OE2-NZ 2.75Å; E230-K270 PolarHBondContact OE2-NZ 3.39Å
231C87.2Confident82.6Confident0 Ų037.4 Ų37.40%022%0.221CC..  trans-103.1152.6169.9-48.90000108.9L261 A266 Y274C231-L261 WeakPolarHBondContact CA-O 3.42Å; C231-A266 VanDerWaalsContact SG-CB 3.57Å; C231-Y274 HydrophobicContact CB-CD1 3.68Å; C231-Y274 HydrophobicContact CB-CD2 3.55Å; C231-Y274 HydrophobicContact CB-CE1 3.9Å; C231-Y274 HydrophobicContact CB-CE2 3.73Å; C231-Y274 HydrophobicContact CB-CG 3.53Å; C231-Y274 WeakPolarHBondContact O-CE1 3.32Å; C231-Y274 PolarHBondContact O-OH 3.17Å
232R91Very high81.8Confident21 Ų2138.8 Ų38.88%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-145.6153.4177.8-66.6-60.8-173.6-115.810.5111.2I192 E205 L221 A224 E230 L261I192-R232 HydrophobicContact CG2-CB 4.28Å; I192-R232 HydrophobicContact CG2-CG 4.46Å; E205-R232 VanDerWaalsContact CD-NE 3.25Å; E205-R232 IonicContact OE1-CZ 2.7Å; E205-R232 IonicContact OE1-NE 2.65Å; E205-R232 PolarHBondContact OE1-NE 2.87Å; E205-R232 VanDerWaalsContact OE1-NE 3.16Å; E205-R232 IonicContact OE1-NH2 3.95Å; E205-R232 PolarHBondContact OE1-NH2 3.48Å; E205-R232 WeakPolarHBondContact OE2-CD 3.21Å; E205-R232 IonicContact OE2-CZ 3.69Å; E205-R232 IonicContact OE2-NE 3.21Å; E205-R232 PolarHBondContact OE2-NE 3.12Å; E205-R232 IonicContact OE2-NH2 3.34Å; L221-R232 HydrophobicContact CD2-CB 4.05Å; A224-R232 HydrophobicContact CB-CG 3.96Å; E230-R232 IonicContact OE2-NH1 2.76Å; R232-L261 PolarHBondContact N-O 3.39Å; R232-L261 PolarHBondContact O-N 3.29Å
233Y91.1Very high80.8Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-105.3145.5165-51.6-66.4000109.6I192 F193 F258 V259 Q260 Y274 V278 L281I192-Y233 CarbonylContact C-O 3.59Å; I192-Y233 WeakPolarHBondContact CA-O 3.37Å; F193-Y233 HydrophobicContact CB-CD2 4.32Å; F193-Y233 PolarHBondContact N-O 2.86Å; F193-Y233 PolarHBondContact O-N 2.85Å; Y233-F258 HydrophobicContact CD1-CE1 4.26Å; Y233-F258 AromaticContact CD1-CZ 3.64Å; Y233-F258 HydrophobicContact CD1-CZ 3.64Å; Y233-F258 HydrophobicContact CE1-CZ 4.3Å; Y233-F258 HydrophobicContact CG-CE2 4.44Å; Y233-F258 AromaticContact CG-CZ 3.95Å; Y233-F258 HydrophobicContact CG-CZ 3.95Å; Y233-V259 CarbonylContact C-O 3.57Å; Y233-V259 WeakPolarHBondContact CA-O 3.15Å; Y233-Q260 HydrophobicContact CD1-CB 4.16Å; Y233-Q260 HydrophobicContact CD1-CG 4.05Å; Y233-Q260 HydrophobicContact CE1-CB 4.43Å; Y233-Q260 HydrophobicContact CE1-CG 3.92Å; Y233-Y274 HydrophobicContact CD1-CD1 4.11Å; Y233-Y274 HydrophobicContact CD2-CD1 4Å; Y233-Y274 AromaticContact CD2-CE1 3.86Å; Y233-Y274 HydrophobicContact CD2-CE1 3.86Å; Y233-Y274 AromaticContact CE1-CD1 3.58Å; Y233-Y274 HydrophobicContact CE1-CD1 3.58Å; Y233-Y274 HydrophobicContact CE1-CE1 4.38Å; Y233-Y274 HydrophobicContact CE1-CG 4.43Å; Y233-Y274 AromaticContact CE2-CD1 3.5Å; Y233-Y274 HydrophobicContact CE2-CD1 3.5Å; Y233-Y274 VanDerWaalsContact CE2-CD1 3.5Å; Y233-Y274 AromaticContact CE2-CE1 3.66Å; Y233-Y274 HydrophobicContact CE2-CE1 3.66Å; Y233-Y274 HydrophobicContact CE2-CG 4.42Å; Y233-Y274 HydrophobicContact CG-CD1 4.31Å; Y233-Y274 HydrophobicContact CG-CE1 4.35Å; Y233-Y274 AromaticContact CZ-CD1 3.29Å; Y233-Y274 AromaticContact CZ-CE1 3.98Å; Y233-Y274 VanDerWaalsContact OH-C 3.22Å; Y233-Y274 WeakPolarHBondContact OH-CA 3.46Å; Y233-Y274 PolarHBondContact OH-O 3.12Å; Y233-V278 HydrophobicContact CD1-CG2 4.18Å; Y233-V278 HydrophobicContact CE1-CG2 3.29Å; Y233-V278 PolarHBondContact OH-N 2.79Å; Y233-L281 HydrophobicContact CD2-CD2 3.56Å; Y233-L281 HydrophobicContact CE2-CD2 4.03Å; Y233-L281 HydrophobicContact CG-CD2 3.92Å
234G91Very high79.6Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-127141.4173.100000110.4L191 V259L191-G234 CarbonylContact O-C 3.56Å; L191-G234 VanDerWaalsContact O-CA 3.31Å; L191-G234 WeakPolarHBondContact O-CA 3.26Å; G234-V259 PolarHBondContact N-O 2.99Å; G234-V259 PolarHBondContact O-N 2.85Å
235C90.2Very high78.2Confident0 Ų054.7 Ų54.70%029%0.29CS..EExtended strand (participates in β ladder)trans-115.7129.9159.6-65.90000107M182 Y190 L191 F193 V256 V257M182-C235 HydrophobicContact CE-CB 3.94Å; M182-C235 HydrophobicContact SD-CB 4.35Å; Y190-C235 CarbonylContact C-O 3.43Å; Y190-C235 WeakPolarHBondContact CA-O 3.36Å; Y190-C235 WeakPolarHBondContact CB-O 3.45Å; L191-C235 HydrophobicContact CB-CB 4.47Å; L191-C235 PolarHBondContact N-O 3.04Å; L191-C235 PolarHBondContact O-N 3.38Å; F193-C235 HydrophobicContact CE2-CB 4.18Å; C235-V256 HydrophobicContact CB-CG1 4.2Å; C235-V257 WeakPolarHBondContact CA-O 3.21Å
236V88.2Confident77.2Confident6 Ų658 Ų584%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-132.3131.6177.556.20000108.9Y214 F217 V238 V256 V257Y214-V236 HydrophobicContact CD2-CG2 4.09Å; Y214-V236 HydrophobicContact CE2-CG1 4.14Å; Y214-V236 HydrophobicContact CE2-CG2 4.5Å; F217-V236 HydrophobicContact CD1-CB 4.15Å; F217-V236 HydrophobicContact CD1-CG1 4.24Å; F217-V236 HydrophobicContact CD1-CG2 4.31Å; F217-V236 HydrophobicContact CE1-CB 4.03Å; F217-V236 HydrophobicContact CE1-CG1 3.82Å; F217-V236 HydrophobicContact CE2-CB 4.4Å; F217-V236 HydrophobicContact CG-CB 4.36Å; F217-V236 HydrophobicContact CG-CG2 4.41Å; F217-V236 HydrophobicContact CZ-CB 4.13Å; F217-V236 HydrophobicContact CZ-CG1 4.14Å; V236-V238 HydrophobicContact CG1-CG2 3.96Å; V236-V238 HydrophobicContact CG2-CG2 4.16Å; V236-V238 PolarHBondContact O-N 3.49Å; V236-V256 CarbonylContact O-C 3.55Å; V236-V256 WeakPolarHBondContact O-CA 3.31Å; V236-V257 HydrophobicContact CG1-CB 4.14Å; V236-V257 PolarHBondContact N-O 3.29Å; V236-V257 PolarHBondContact O-N 3.25Å
237D85.7Confident76.2Confident31 Ų3159.5 Ų59.517%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-85.2108.2173.2-169.115.3000108.9S189 K255 V256S189-D237 PolarHBondContact O-N 3.37Å; D237-K255 PolarHBondContact OD1-N 2.88Å; D237-V256 HydrophobicContact CB-CG2 4.34Å
238V81.5Confident75.8Confident8 Ų864 Ų645%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-100118.4-177.2-176.30000108.7Y214 V236 K255 V257 K307 L310Y214-V238 HydrophobicContact CD2-CG2 4.45Å; V236-V238 HydrophobicContact CG1-CG2 3.96Å; V236-V238 HydrophobicContact CG2-CG2 4.16Å; V236-V238 PolarHBondContact O-N 3.49Å; V238-K255 PolarHBondContact N-O 3.13Å; V238-K255 PolarHBondContact O-N 3.45Å; V238-V257 HydrophobicContact CG2-CG2 4.03Å; V238-K307 HydrophobicContact CG1-CG 3.98Å; V238-L310 HydrophobicContact CB-CD1 3.91Å; V238-L310 HydrophobicContact CG1-CD1 3.96Å; V238-L310 HydrophobicContact CG2-CD1 4.46Å
239E78.9Confident75Confident94 Ų9466.4 Ų66.444%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-86.9125.6169.8-169.5166.3176.600110.2S252 Q254E239-S252 WeakPolarHBondContact OE1-CB 3.29Å; E239-S252 PolarHBondContact OE1-OG 3.04Å; E239-Q254 HydrophobicContact CB-CG 3.77Å; E239-Q254 HydrophobicContact CG-CG 3.76Å; E239-Q254 PolarHBondContact OE2-NE2 3.25Å
240F73.6Confident74.4Confident5 Ų564.6 Ų64.62%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-135140.8174.160.9-79.3000110.6V242 S252 I253 K255 L310 M311 Q314F240-V242 HydrophobicContact CD2-CG2 3.41Å; F240-V242 VanDerWaalsContact CD2-CG2 3.41Å; F240-V242 HydrophobicContact CE2-CG2 3.22Å; F240-V242 HydrophobicContact CZ-CG2 4.28Å; F240-V242 PolarHBondContact O-N 3.26Å; F240-S252 WeakPolarHBondContact O-CA 3.34Å; F240-I253 VanDerWaalsContact CD1-O 3.31Å; F240-I253 WeakPolarHBondContact CD1-O 3.45Å; F240-I253 HydrophobicContact CE1-CB 4.48Å; F240-I253 HydrophobicContact CZ-CB 4.26Å; F240-I253 HydrophobicContact CZ-CG2 4.38Å; F240-I253 PolarHBondContact N-O 2.99Å; F240-I253 PolarHBondContact O-N 2.88Å; F240-K255 HydrophobicContact CE1-CB 3.8Å; F240-K255 HydrophobicContact CZ-CB 4.5Å; F240-L310 HydrophobicContact CD1-CD1 4.11Å; F240-L310 HydrophobicContact CE1-CB 4.2Å; F240-L310 HydrophobicContact CE1-CD1 4.11Å; F240-L310 HydrophobicContact CZ-CB 4.27Å; F240-M311 HydrophobicContact CB-CE 4.42Å; F240-M311 HydrophobicContact CD2-CE 4.44Å; F240-M311 HydrophobicContact CD2-CG 4.04Å; F240-M311 HydrophobicContact CE2-CG 4.35Å; F240-Q314 HydrophobicContact CZ-CG 4.38Å
241A70.8Confident73.5Confident58 Ų5863.8 Ų63.848%0.47935%0.349SS..EExtended strand (participates in β ladder)trans-79.1121.2175.800000109.4
242V70.4Confident72.6Confident29 Ų2967.3 Ų67.318%0.17637%0.374CS..EExtended strand (participates in β ladder)trans-103.6117.4171.7-175.70000108F240 R244 S251 I253F240-V242 HydrophobicContact CD2-CG2 3.41Å; F240-V242 VanDerWaalsContact CD2-CG2 3.41Å; F240-V242 HydrophobicContact CE2-CG2 3.22Å; F240-V242 HydrophobicContact CZ-CG2 4.28Å; F240-V242 PolarHBondContact O-N 3.26Å; V242-R244 PolarHBondContact O-N 3.23Å; V242-S251 PolarHBondContact N-O 3.39Å; V242-S251 PolarHBondContact O-N 2.91Å; V242-I253 HydrophobicContact CB-CD1 4.03Å; V242-I253 HydrophobicContact CB-CG1 4.34Å; V242-I253 HydrophobicContact CG2-CB 4.29Å; V242-I253 HydrophobicContact CG2-CD1 3.74Å; V242-I253 HydrophobicContact CG2-CG1 3.98Å
243Q64.9Low72Confident160 Ų16068.3 Ų68.375%0.74838%0.38SS*.EExtended strand (participates in β ladder)trans-78.5113.2164.9-72.2179.75.700107.8T250Q243-T250 HydrophobicContact CG-CG2 3.97Å
244R60.9Low71.2Confident161 Ų16171.6 Ų71.661%0.60840%0.396SS*.  trans-76.7130.9169-72-172.1176.6-178.70.5108.3V242 G246V242-R244 PolarHBondContact O-N 3.23Å; R244-G246 PolarHBondContact O-N 3.22Å
245Q54.9Low70.8Confident199 Ų19973.6 Ų73.693%0.9340%0.404SS*.THydrogen-bonded Turntrans-57.2124.3173.4-73-174.2-0.400109.4
246G58.6Low70.5Confident79 Ų7973.8 Ų73.881%0.81441%0.405SS*.THydrogen-bonded Turntrans107.8-2.8171.700000117.1R244R244-G246 PolarHBondContact O-N 3.22Å
247T55.3Low70.4Confident86 Ų8673.5 Ų73.553%0.52840%0.404SS..SBendtrans-143.8138.1172.943.10000109.9S249T247-S249 WeakPolarHBondContact CB-OG 3.08Å; T247-S249 PolarHBondContact O-N 3.36Å; T247-S249 PolarHBondContact OG1-OG 2.87Å
248E61.6Low70.5Confident205 Ų20572 Ų7296%0.95840%0.396SS*.SBendtrans-67.50.4177.7-67-167.313400113.7T250E248-T250 PolarHBondContact O-N 2.83Å
249S56.6Low70.9Confident64 Ų6471.6 Ų71.645%0.44839%0.393SS..  trans-74.9109.9177.5520000111.4T247 S251T247-S249 WeakPolarHBondContact CB-OG 3.08Å; T247-S249 PolarHBondContact O-N 3.36Å; T247-S249 PolarHBondContact OG1-OG 2.87Å; S249-S251 PolarHBondContact O-N 3.36Å
250T64Low71.4Confident93 Ų9367.8 Ų67.857%0.57138%0.375SS*.EExtended strand (participates in β ladder)trans-69.1112.916343.40000108.9Q243 E248Q243-T250 HydrophobicContact CG-CG2 3.97Å; E248-T250 PolarHBondContact O-N 2.83Å
251S66.7Low72.1Confident41 Ų4167.5 Ų67.529%0.28737%0.374SS..EExtended strand (participates in β ladder)trans-93.5118.4173-61.70000108.5V242 S249 I253V242-S251 PolarHBondContact N-O 3.39Å; V242-S251 PolarHBondContact O-N 2.91Å; S249-S251 PolarHBondContact O-N 3.36Å; S251-I253 PolarHBondContact O-N 3.42Å
252S69.7Low72.8Confident73 Ų7365.9 Ų65.951%0.5136%0.359SS..EExtended strand (participates in β ladder)trans-78.7115.8170.9650000109.6E239 F240E239-S252 WeakPolarHBondContact OE1-CB 3.29Å; E239-S252 PolarHBondContact OE1-OG 3.04Å; F240-S252 WeakPolarHBondContact O-CA 3.34Å
253I77.1Confident73.5Confident43 Ų4365 Ų6522%0.22135%0.354CS..EExtended strand (participates in β ladder)trans-103.5129.4176.6-55-174.6000107.3F240 V242 S251F240-I253 VanDerWaalsContact CD1-O 3.31Å; F240-I253 WeakPolarHBondContact CD1-O 3.45Å; F240-I253 HydrophobicContact CE1-CB 4.48Å; F240-I253 HydrophobicContact CZ-CB 4.26Å; F240-I253 HydrophobicContact CZ-CG2 4.38Å; F240-I253 PolarHBondContact N-O 2.99Å; F240-I253 PolarHBondContact O-N 2.88Å; V242-I253 HydrophobicContact CB-CD1 4.03Å; V242-I253 HydrophobicContact CB-CG1 4.34Å; V242-I253 HydrophobicContact CG2-CB 4.29Å; V242-I253 HydrophobicContact CG2-CD1 3.74Å; V242-I253 HydrophobicContact CG2-CG1 3.98Å; S251-I253 PolarHBondContact O-N 3.42Å
254Q75.6Confident74.3Confident69 Ų6963 Ų6332%0.32235%0.349SS..EExtended strand (participates in β ladder)trans-97.6127173-74.2177-10.800108.2E239E239-Q254 HydrophobicContact CB-CG 3.77Å; E239-Q254 HydrophobicContact CG-CG 3.76Å; E239-Q254 PolarHBondContact OE2-NE2 3.25Å
255K81.2Confident75.3Confident41 Ų4161.7 Ų61.718%0.17835%0.353CS..EExtended strand (participates in β ladder)trans-135.9129.7177.9-169.4161.1170.1-177.40108.9D237 V238 F240 L290 L310D237-K255 PolarHBondContact OD1-N 2.88Å; V238-K255 PolarHBondContact N-O 3.13Å; V238-K255 PolarHBondContact O-N 3.45Å; F240-K255 HydrophobicContact CE1-CB 3.8Å; F240-K255 HydrophobicContact CZ-CB 4.5Å; K255-L290 HydrophobicContact CG-CD2 4.03Å; K255-L310 HydrophobicContact CB-CD2 4.32Å; K255-L310 HydrophobicContact CD-CD2 3.85Å; K255-L310 HydrophobicContact CG-CD2 4.09Å
256V83.7Confident76.6Confident4 Ų452.3 Ų52.32%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-75.8127.3175.1-176.50000109.2Y179 M182 C235 V236 D237 L287 L290Y179-V256 HydrophobicContact CE2-CG1 4.17Å; M182-V256 HydrophobicContact CE-CG1 3.79Å; M182-V256 HydrophobicContact CE-CG2 4.13Å; C235-V256 HydrophobicContact CB-CG1 4.2Å; V236-V256 CarbonylContact O-C 3.55Å; V236-V256 WeakPolarHBondContact O-CA 3.31Å; D237-V256 HydrophobicContact CB-CG2 4.34Å; V256-L287 HydrophobicContact CG1-CD2 4.39Å; V256-L290 HydrophobicContact CB-CD1 4.05Å
257V86.1Confident77.7Confident0 Ų051.7 Ų51.70%029%0.292CS..EExtended strand (participates in β ladder)trans-105.3129.9173.8-179.50000108.6C235 V236 V238 V259 I293 I306 L310C235-V257 WeakPolarHBondContact CA-O 3.21Å; V236-V257 HydrophobicContact CG1-CB 4.14Å; V236-V257 PolarHBondContact N-O 3.29Å; V236-V257 PolarHBondContact O-N 3.25Å; V238-V257 HydrophobicContact CG2-CG2 4.03Å; V257-V259 HydrophobicContact CG1-CG2 4Å; V257-I293 HydrophobicContact CG1-CD1 3.6Å; V257-I293 HydrophobicContact CG1-CG1 3.92Å; V257-I306 HydrophobicContact CG1-CG2 4.25Å; V257-I306 HydrophobicContact CG2-CG2 3.98Å; V257-L310 HydrophobicContact CG2-CD1 3.68Å; V257-L310 HydrophobicContact CG2-CD2 3.76Å; V257-L310 HydrophobicContact CG2-CG 3.99Å
258F89Confident79Confident0 Ų052.6 Ų52.60%030%0.297CS..EExtended strand (participates in β ladder)trans-92.8118.4170.6-177.1-99.1000109.3Y233 Q260 V278 L281 K282 L287 M291 Q292 I293Y233-F258 HydrophobicContact CD1-CE1 4.26Å; Y233-F258 AromaticContact CD1-CZ 3.64Å; Y233-F258 HydrophobicContact CD1-CZ 3.64Å; Y233-F258 HydrophobicContact CE1-CZ 4.3Å; Y233-F258 HydrophobicContact CG-CE2 4.44Å; Y233-F258 AromaticContact CG-CZ 3.95Å; Y233-F258 HydrophobicContact CG-CZ 3.95Å; F258-Q260 HydrophobicContact CE1-CB 4.32Å; F258-V278 HydrophobicContact CE1-CG1 4.38Å; F258-V278 HydrophobicContact CE1-CG2 4.25Å; F258-L281 HydrophobicContact CE2-CD2 3.89Å; F258-L281 HydrophobicContact CE2-CG 4.46Å; F258-L281 HydrophobicContact CZ-CD2 4.1Å; F258-K282 HydrophobicContact CD1-CD 4.35Å; F258-K282 HydrophobicContact CD1-CG 4.32Å; F258-K282 HydrophobicContact CE1-CD 4.45Å; F258-K282 HydrophobicContact CE1-CG 4.27Å; F258-L287 HydrophobicContact CB-CD1 4.25Å; F258-L287 HydrophobicContact CD2-CD1 3.59Å; F258-L287 HydrophobicContact CE2-CD1 4.32Å; F258-L287 HydrophobicContact CG-CD1 4.19Å; F258-M291 PolarHBondContact N-O 3.34Å; F258-M291 VanDerWaalsContact N-O 3.11Å; F258-Q292 HydrophobicContact CD1-CB 4.33Å; F258-Q292 HydrophobicContact CD1-CG 4.02Å; F258-Q292 CarbonylContact O-C 3.43Å; F258-Q292 WeakPolarHBondContact O-CA 3.24Å; F258-I293 PolarHBondContact O-N 2.7Å
259V88.6Confident79.8Confident0 Ų050.8 Ų50.80%028%0.281CS..EExtended strand (participates in β ladder)trans-108.1126.4178.8174.90000109F217 Y233 G234 V257 I293 L301F217-V259 HydrophobicContact CE1-CG2 4.39Å; F217-V259 HydrophobicContact CZ-CB 4.42Å; F217-V259 HydrophobicContact CZ-CG2 4.44Å; Y233-V259 CarbonylContact C-O 3.57Å; Y233-V259 WeakPolarHBondContact CA-O 3.15Å; G234-V259 PolarHBondContact N-O 2.99Å; G234-V259 PolarHBondContact O-N 2.85Å; V257-V259 HydrophobicContact CG1-CG2 4Å; V259-I293 CarbonylContact C-O 3.35Å; V259-I293 WeakPolarHBondContact CA-O 3.45Å; V259-L301 HydrophobicContact CB-CD2 4.36Å; V259-L301 HydrophobicContact CG1-CD1 3.86Å; V259-L301 HydrophobicContact CG1-CD2 3.34Å; V259-L301 HydrophobicContact CG1-CG 4.25Å; V259-L301 HydrophobicContact CG2-CD2 4.08Å
260Q89.2Confident81.1Confident13 Ų1350.2 Ų50.26%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-107.7115.4167.7174.4-175.70.500108.3Y233 F258 V278 I293 Q294 A295Y233-Q260 HydrophobicContact CD1-CB 4.16Å; Y233-Q260 HydrophobicContact CD1-CG 4.05Å; Y233-Q260 HydrophobicContact CE1-CB 4.43Å; Y233-Q260 HydrophobicContact CE1-CG 3.92Å; F258-Q260 HydrophobicContact CE1-CB 4.32Å; Q260-V278 HydrophobicContact CG-CG2 4.3Å; Q260-I293 PolarHBondContact N-O 3.4Å; Q260-Q294 HydrophobicContact CB-CG 4.45Å; Q260-Q294 WeakPolarHBondContact O-CA 3.36Å; Q260-A295 PolarHBondContact O-N 3.36Å
261L88.6Confident82Confident0 Ų049.6 Ų49.60%026%0.258CS..EExtended strand (participates in β ladder)trans-108.6112.2-179.9-172.554.8000109.6L221 I225 C231 R232 A295 I298 L301L221-L261 HydrophobicContact CB-CD2 3.97Å; L221-L261 HydrophobicContact CD1-CD2 4.17Å; L221-L261 HydrophobicContact CD2-CD2 4.28Å; L221-L261 HydrophobicContact CG-CD2 4.39Å; I225-L261 HydrophobicContact CD1-CD1 4.22Å; I225-L261 HydrophobicContact CD1-CD2 3.08Å; I225-L261 HydrophobicContact CD1-CG 3.56Å; I225-L261 HydrophobicContact CG1-CD2 3.88Å; I225-L261 HydrophobicContact CG1-CG 4.21Å; C231-L261 WeakPolarHBondContact CA-O 3.42Å; R232-L261 PolarHBondContact N-O 3.39Å; R232-L261 PolarHBondContact O-N 3.29Å; L261-A295 WeakPolarHBondContact CA-O 3.2Å; L261-A295 HydrophobicContact CD1-CB 3.7Å; L261-A295 WeakPolarHBondContact CD1-O 3.31Å; L261-I298 HydrophobicContact CD2-CG1 4.36Å; L261-L301 HydrophobicContact CD1-CD1 4.2Å; L261-L301 HydrophobicContact CD2-CD1 3.91Å
262C86Confident82.8Confident23 Ų2352.4 Ų52.416%0.15527%0.268CS..  trans-137.689.5-173.2-1770000109.7R271 A295C262-R271 VanDerWaalsContact SG-CG 3.53Å; C262-A295 PolarHBondContact N-O 3.28Å
263P85.7Confident83.5Confident12 Ų1249.6 Ų49.68%0.07825%0.247CC..  trans-64.5147-179.725.9-33.5000112.4I225 G228 E230 D265 A266 S296I225-P263 HydrophobicContact CG2-CG 3.95Å; G228-P263 WeakPolarHBondContact O-CG 2.86Å; E230-P263 WeakPolarHBondContact O-CD 3.46Å; E230-P263 WeakPolarHBondContact O-CG 3.15Å; P263-D265 PolarHBondContact O-N 2.79Å; P263-A266 HydrophobicContact CG-CB 4.15Å; P263-A266 VanDerWaalsContact O-CB 3.27Å; P263-A266 WeakPolarHBondContact O-CB 3.46Å; P263-A266 PolarHBondContact O-N 2.83Å; P263-S296 WeakPolarHBondContact CA-O 3.25Å
264D80.2Confident83.9Confident118 Ų11847.9 Ų47.963%0.63124%0.238SC*.THydrogen-bonded Turntrans-68-17.7179.8-74.5-41.3000113A266 R271D264-A266 VanDerWaalsContact C-N 3.32Å; D264-R271 PolarHBondContact O-NH1 2.72Å
265D83.7Confident84.3Confident132 Ų13247.6 Ų47.671%0.70625%0.247SC*.THydrogen-bonded Turntrans-80.9-9.7173-71.3-39.5000113.3G228 P263G228-D265 CarbonylContact O-C 3.59Å; G228-D265 WeakPolarHBondContact O-CB 3.47Å; P263-D265 PolarHBondContact O-N 2.79Å
266A81.5Confident84.3Confident2 Ų247.2 Ų47.22%0.01725%0.249CC..SBendtrans-69.8143.6178.100000111.8G228 K229 C231 P263 D264 V268 R271G228-A266 PolarHBondContact O-N 3.36Å; K229-A266 WeakPolarHBondContact O-CB 3.25Å; C231-A266 VanDerWaalsContact SG-CB 3.57Å; P263-A266 HydrophobicContact CG-CB 4.15Å; P263-A266 VanDerWaalsContact O-CB 3.27Å; P263-A266 WeakPolarHBondContact O-CB 3.46Å; P263-A266 PolarHBondContact O-N 2.83Å; D264-A266 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 2.79Å; A266-R271 HydrophobicContact CB-CG 3.87Å; A266-R271 PolarHBondContact O-NH1 2.71Å
267P82.4Confident84.3Confident67 Ų6747.3 Ų47.344%0.43525%0.25SS..  trans-54.2137.3178.1-24.832.9000112.5K229 R269 K270 R271K229-P267 WeakPolarHBondContact O-CD 3.32Å; P267-R269 PolarHBondContact O-N 2.78Å; P267-K270 PolarHBondContact O-N 2.67Å; P267-R271 PolarHBondContact O-N 2.87Å
268V80.9Confident84.2Confident104 Ų10447.8 Ų47.863%0.6325%0.253SS*.Hα-helixtrans-49.5-40.2-178.6178.70000112.2A266 K270 R271 M272A266-V268 PolarHBondContact O-N 2.79Å; V268-K270 PolarHBondContact O-N 2.88Å; V268-R271 PolarHBondContact O-N 3.42Å; V268-M272 VanDerWaalsContact O-CB 3.31Å; V268-M272 WeakPolarHBondContact O-CB 3.44Å; V268-M272 PolarHBondContact O-N 2.75Å
269R80.3Confident83.8Confident168 Ų16857.6 Ų57.663%0.63429%0.29SS*.Hα-helixtrans-59.8-45.2177.2-177.5176.9169.5136.9-1.9112.6D199 P267 M272 L273D199-R269 IonicContact OD2-CZ 3.36Å; D199-R269 IonicContact OD2-NE 2.65Å; D199-R269 PolarHBondContact OD2-NE 2.93Å; D199-R269 IonicContact OD2-NH2 3.16Å; D199-R269 PolarHBondContact OD2-NH2 3.27Å; P267-R269 PolarHBondContact O-N 2.78Å; R269-M272 PolarHBondContact O-N 2.85Å; R269-L273 HydrophobicContact CG-CD1 4.28Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 2.79Å
270K83.2Confident83.6Confident52 Ų5259.2 Ų59.223%0.22631%0.307CS..Hα-helixtrans-67-46.4177.2-73-168.1175.3-171.50110.7E230 P267 V268 M272 L273 Y274E230-K270 IonicContact OE1-NZ 3.56Å; E230-K270 PolarHBondContact OE1-NZ 3.05Å; E230-K270 IonicContact OE2-NZ 2.75Å; E230-K270 PolarHBondContact OE2-NZ 3.39Å; P267-K270 PolarHBondContact O-N 2.67Å; V268-K270 PolarHBondContact O-N 2.88Å; K270-M272 VanDerWaalsContact C-N 3.26Å; K270-M272 PolarHBondContact O-N 2.78Å; K270-L273 PolarHBondContact O-N 3.3Å; K270-L273 VanDerWaalsContact O-N 3.12Å; K270-Y274 WeakPolarHBondContact O-CD2 3.35Å; K270-Y274 PolarHBondContact O-N 2.66Å
271R82.9Confident83.4Confident79 Ų7958.6 Ų58.630%0.29831%0.305SS..Hα-helixtrans-55.9-43.3176.2-58.5-157.8-59.6-120.119.1111.7C262 D264 A266 P267 V268 Y274 A275C262-R271 VanDerWaalsContact SG-CG 3.53Å; D264-R271 PolarHBondContact O-NH1 2.72Å; A266-R271 HydrophobicContact CB-CG 3.87Å; A266-R271 PolarHBondContact O-NH1 2.71Å; P267-R271 PolarHBondContact O-N 2.87Å; V268-R271 PolarHBondContact O-N 3.42Å; R271-Y274 PolarHBondContact O-N 3.07Å; R271-A275 VanDerWaalsContact O-CB 3.26Å; R271-A275 WeakPolarHBondContact O-CB 3.42Å; R271-A275 PolarHBondContact O-N 3.33Å
272M83.5Confident83.2Confident100 Ų10060.3 Ų60.349%0.49331%0.312SS..Hα-helixtrans-63.5-46.1176.5-173.9-172.576.200112.2V268 R269 K270 A275 S276V268-M272 VanDerWaalsContact O-CB 3.31Å; V268-M272 WeakPolarHBondContact O-CB 3.44Å; V268-M272 PolarHBondContact O-N 2.75Å; R269-M272 PolarHBondContact O-N 2.85Å; K270-M272 VanDerWaalsContact C-N 3.26Å; K270-M272 PolarHBondContact O-N 2.78Å; M272-A275 PolarHBondContact O-N 3.15Å; M272-S276 WeakPolarHBondContact O-CB 3.44Å; M272-S276 PolarHBondContact O-N 2.99Å; M272-S276 PolarHBondContact O-OG 3.32Å
273L84.8Confident83Confident15 Ų1562.3 Ų62.38%0.07933%0.326CS..Hα-helixtrans-62-45.1177.4-74.8166.5000111.4I195 D199 R269 K270 S276 S277I195-L273 HydrophobicContact CD1-CB 4.06Å; D199-L273 HydrophobicContact CB-CD1 3.84Å; D199-L273 WeakPolarHBondContact OD2-CD1 3.33Å; R269-L273 HydrophobicContact CG-CD1 4.28Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 2.79Å; K270-L273 PolarHBondContact O-N 3.3Å; K270-L273 VanDerWaalsContact O-N 3.12Å; L273-S276 PolarHBondContact O-N 3.35Å; L273-S277 VanDerWaalsContact O-CB 3.29Å; L273-S277 WeakPolarHBondContact O-CB 3.16Å; L273-S277 PolarHBondContact O-N 2.76Å; L273-S277 PolarHBondContact O-OG 3.11Å
274Y85.6Confident82.8Confident7 Ų763.9 Ų63.93%0.02734%0.337CS..Hα-helixtrans-67-43.2177.9-85.6-102.2000111.7R194 I195 C231 Y233 K270 R271 S276 S277 V278R194-Y274 WeakPolarHBondContact CA-OH 3.39Å; I195-Y274 HydrophobicContact CB-CE2 4.01Å; I195-Y274 HydrophobicContact CD1-CD1 4.41Å; I195-Y274 HydrophobicContact CD1-CD2 3.56Å; I195-Y274 HydrophobicContact CD1-CE1 4.4Å; I195-Y274 HydrophobicContact CD1-CE2 3.61Å; I195-Y274 HydrophobicContact CD1-CG 3.99Å; I195-Y274 HydrophobicContact CG1-CD2 4.18Å; I195-Y274 HydrophobicContact CG1-CE1 4.15Å; I195-Y274 HydrophobicContact CG1-CE2 3.73Å; I195-Y274 PolarHBondContact N-OH 3.2Å; C231-Y274 HydrophobicContact CB-CD1 3.68Å; C231-Y274 HydrophobicContact CB-CD2 3.55Å; C231-Y274 HydrophobicContact CB-CE1 3.9Å; C231-Y274 HydrophobicContact CB-CE2 3.73Å; C231-Y274 HydrophobicContact CB-CG 3.53Å; C231-Y274 WeakPolarHBondContact O-CE1 3.32Å; C231-Y274 PolarHBondContact O-OH 3.17Å; Y233-Y274 HydrophobicContact CD1-CD1 4.11Å; Y233-Y274 HydrophobicContact CD2-CD1 4Å; Y233-Y274 AromaticContact CD2-CE1 3.86Å; Y233-Y274 HydrophobicContact CD2-CE1 3.86Å; Y233-Y274 AromaticContact CE1-CD1 3.58Å; Y233-Y274 HydrophobicContact CE1-CD1 3.58Å; Y233-Y274 HydrophobicContact CE1-CE1 4.38Å; Y233-Y274 HydrophobicContact CE1-CG 4.43Å; Y233-Y274 AromaticContact CE2-CD1 3.5Å; Y233-Y274 HydrophobicContact CE2-CD1 3.5Å; Y233-Y274 VanDerWaalsContact CE2-CD1 3.5Å; Y233-Y274 AromaticContact CE2-CE1 3.66Å; Y233-Y274 HydrophobicContact CE2-CE1 3.66Å; Y233-Y274 HydrophobicContact CE2-CG 4.42Å; Y233-Y274 HydrophobicContact CG-CD1 4.31Å; Y233-Y274 HydrophobicContact CG-CE1 4.35Å; Y233-Y274 AromaticContact CZ-CD1 3.29Å; Y233-Y274 AromaticContact CZ-CE1 3.98Å; Y233-Y274 VanDerWaalsContact OH-C 3.22Å; Y233-Y274 WeakPolarHBondContact OH-CA 3.46Å; Y233-Y274 PolarHBondContact OH-O 3.12Å; K270-Y274 WeakPolarHBondContact O-CD2 3.35Å; K270-Y274 PolarHBondContact O-N 2.66Å; R271-Y274 PolarHBondContact O-N 3.07Å; Y274-S276 VanDerWaalsContact C-N 3.26Å; Y274-S276 PolarHBondContact O-N 3.13Å; Y274-S277 PolarHBondContact O-N 3.3Å; Y274-V278 WeakPolarHBondContact O-CG2 3.42Å; Y274-V278 PolarHBondContact O-N 2.92Å
275A83.7Confident82.9Confident62 Ų6258.7 Ų58.751%0.51231%0.309SS..Hα-helixtrans-60.5-38.1175.600000112.3R271 M272R271-A275 VanDerWaalsContact O-CB 3.26Å; R271-A275 WeakPolarHBondContact O-CB 3.42Å; R271-A275 PolarHBondContact O-N 3.33Å; M272-A275 PolarHBondContact O-N 3.15Å
276S80Confident82.6Confident33 Ų3354.9 Ų54.923%0.23130%0.301CS..Hα-helixtrans-75.9-38.1-178.8-53.30000112.6M272 L273 Y274M272-S276 WeakPolarHBondContact O-CB 3.44Å; M272-S276 PolarHBondContact O-N 2.99Å; M272-S276 PolarHBondContact O-OG 3.32Å; L273-S276 PolarHBondContact O-N 3.35Å; Y274-S276 VanDerWaalsContact C-N 3.26Å; Y274-S276 PolarHBondContact O-N 3.13Å
277S85.3Confident82.2Confident6 Ų654.8 Ų54.84%0.04230%0.3CS..Hα-helixtrans-80.9-16.5-172.9-46.10000113.6S167 L273 Y274 R279 G280 L281S167-S277 PolarHBondContact OG-OG 2.73Å; L273-S277 VanDerWaalsContact O-CB 3.29Å; L273-S277 WeakPolarHBondContact O-CB 3.16Å; L273-S277 PolarHBondContact O-N 2.76Å; L273-S277 PolarHBondContact O-OG 3.11Å; Y274-S277 PolarHBondContact O-N 3.3Å; S277-R279 PolarHBondContact O-N 3.08Å; S277-G280 PolarHBondContact O-N 3.14Å; S277-G280 VanDerWaalsContact O-N 3.13Å; S277-L281 PolarHBondContact O-N 2.7Å
278V84Confident81.3Confident11 Ų1158.1 Ų58.17%0.06731%0.31CS..Hα-helixtrans-51-44.9177.5154.80000112.2Y233 F258 Q260 Y274 G280 L281 K282Y233-V278 HydrophobicContact CD1-CG2 4.18Å; Y233-V278 HydrophobicContact CE1-CG2 3.29Å; Y233-V278 PolarHBondContact OH-N 2.79Å; F258-V278 HydrophobicContact CE1-CG1 4.38Å; F258-V278 HydrophobicContact CE1-CG2 4.25Å; Q260-V278 HydrophobicContact CG-CG2 4.3Å; Y274-V278 WeakPolarHBondContact O-CG2 3.42Å; Y274-V278 PolarHBondContact O-N 2.92Å; V278-G280 VanDerWaalsContact C-N 3.34Å; V278-G280 PolarHBondContact O-N 3.32Å; V278-L281 PolarHBondContact O-N 2.65Å; V278-K282 HydrophobicContact CG1-CD 3.77Å; V278-K282 HydrophobicContact CG1-CG 4.23Å; V278-K282 WeakPolarHBondContact O-CB 3.21Å; V278-K282 WeakPolarHBondContact O-CG 3.13Å; V278-K282 PolarHBondContact O-N 2.74Å
279R80.6Confident80.5Confident205 Ų20558.4 Ų58.477%0.77432%0.317SS*.Hα-helixtrans-63.3-43.8-176.2-177-179.4-78.1162.3-4.6110.9S277 S283S277-R279 PolarHBondContact O-N 3.08Å; R279-S283 WeakPolarHBondContact O-CB 3.21Å; R279-S283 PolarHBondContact O-N 2.84Å
280G83.5Confident80.1Confident35 Ų3552 Ų5236%0.36130%0.295SS..Hα-helixtrans-61.8-47.8177.300000111.5I171 S277 V278 S283 C284I171-G280 WeakPolarHBondContact CD1-O 3.41Å; S277-G280 PolarHBondContact O-N 3.14Å; S277-G280 VanDerWaalsContact O-N 3.13Å; V278-G280 VanDerWaalsContact C-N 3.34Å; V278-G280 PolarHBondContact O-N 3.32Å; G280-S283 PolarHBondContact O-N 3.11Å; G280-C284 WeakPolarHBondContact O-CB 3.34Å; G280-C284 PolarHBondContact O-N 3.33Å
281L84.4Confident79.5Confident0 Ų050.6 Ų50.60%029%0.289CS..Hα-helixtrans-62.2-47.6179.8-172.159.2000111.8I171 F193 I202 Y233 F258 S277 V278 S283 C284 L285I171-L281 HydrophobicContact CG2-CD1 4.2Å; F193-L281 HydrophobicContact CB-CD2 4.47Å; F193-L281 HydrophobicContact CG-CD2 4.41Å; I202-L281 HydrophobicContact CD1-CB 4.1Å; I202-L281 HydrophobicContact CD1-CD1 4.43Å; I202-L281 HydrophobicContact CG2-CD1 3.96Å; I202-L281 HydrophobicContact CG2-CD2 4.29Å; Y233-L281 HydrophobicContact CD2-CD2 3.56Å; Y233-L281 HydrophobicContact CE2-CD2 4.03Å; Y233-L281 HydrophobicContact CG-CD2 3.92Å; F258-L281 HydrophobicContact CE2-CD2 3.89Å; F258-L281 HydrophobicContact CE2-CG 4.46Å; F258-L281 HydrophobicContact CZ-CD2 4.1Å; S277-L281 PolarHBondContact O-N 2.7Å; V278-L281 PolarHBondContact O-N 2.65Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 2.86Å; L281-C284 PolarHBondContact O-N 3.25Å; L281-L285 HydrophobicContact CD1-CD1 3.82Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 3.94Å; L281-L285 HydrophobicContact CG-CG 4.42Å; L281-L285 WeakPolarHBondContact O-CB 3.49Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.43Å
282K84.6Confident79.4Confident35 Ų3549.6 Ų49.615%0.15229%0.288CS..Hα-helixtrans-59.2-43.3178.4-73.4-17776.5179.90111.9F258 V278 G286 L287F258-K282 HydrophobicContact CD1-CD 4.35Å; F258-K282 HydrophobicContact CD1-CG 4.32Å; F258-K282 HydrophobicContact CE1-CD 4.45Å; F258-K282 HydrophobicContact CE1-CG 4.27Å; V278-K282 HydrophobicContact CG1-CD 3.77Å; V278-K282 HydrophobicContact CG1-CG 4.23Å; V278-K282 WeakPolarHBondContact O-CB 3.21Å; V278-K282 WeakPolarHBondContact O-CG 3.13Å; V278-K282 PolarHBondContact O-N 2.74Å; K282-G286 PolarHBondContact O-N 3.31Å; K282-G286 VanDerWaalsContact O-N 3.11Å; K282-L287 HydrophobicContact CB-CB 4.3Å; K282-L287 HydrophobicContact CG-CB 4.37Å; K282-L287 PolarHBondContact O-N 3.08Å
283S82.1Confident79.5Confident65 Ų6545.6 Ų45.646%0.45527%0.268SS..Hα-helixtrans-67.2-40.8179.4-1640000111.7R279 G280 L281 L285 G286 E288R279-S283 WeakPolarHBondContact O-CB 3.21Å; R279-S283 PolarHBondContact O-N 2.84Å; G280-S283 PolarHBondContact O-N 3.11Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 2.86Å; S283-L285 PolarHBondContact O-N 3.48Å; S283-G286 PolarHBondContact O-N 3.31Å; S283-E288 WeakPolarHBondContact CB-OE1 3.48Å; S283-E288 PolarHBondContact OG-OE1 3.14Å
284C82.3Confident79.5Confident46 Ų4651.6 Ų51.631%0.31130%0.296SS..Hα-helixtrans-65.6-38.5178.5-170.90000113.4I171 G280 L281 G286I171-C284 HydrophobicContact CD1-CB 3.45Å; I171-C284 VanDerWaalsContact CD1-CB 3.45Å; I171-C284 HydrophobicContact CG2-CB 4.32Å; G280-C284 WeakPolarHBondContact O-CB 3.34Å; G280-C284 PolarHBondContact O-N 3.33Å; L281-C284 PolarHBondContact O-N 3.25Å; C284-G286 VanDerWaalsContact C-N 3.33Å
285L80.8Confident79.4Confident9 Ų951.4 Ų51.45%0.04730%0.296CS..THydrogen-bonded Turntrans-83.5-5.6179-61.4-176.8000113.3Y179 F193 L281 S283 L287Y179-L285 HydrophobicContact CD1-CB 4.25Å; Y179-L285 HydrophobicContact CD1-CD2 4.32Å; Y179-L285 HydrophobicContact CD2-CB 4.42Å; Y179-L285 HydrophobicContact CD2-CD1 4.22Å; Y179-L285 HydrophobicContact CD2-CD2 4.42Å; Y179-L285 HydrophobicContact CE1-CB 4.48Å; Y179-L285 WeakPolarHBondContact CE1-O 3.04Å; Y179-L285 HydrophobicContact CG-CB 4.23Å; Y179-L285 HydrophobicContact CG-CD1 4.46Å; Y179-L285 HydrophobicContact CG-CD2 3.85Å; Y179-L285 HydrophobicContact CG-CG 4.4Å; F193-L285 HydrophobicContact CE2-CD1 4.37Å; F193-L285 HydrophobicContact CZ-CD1 4.01Å; L281-L285 HydrophobicContact CD1-CD1 3.82Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 3.94Å; L281-L285 HydrophobicContact CG-CG 4.42Å; L281-L285 WeakPolarHBondContact O-CB 3.49Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.43Å; S283-L285 PolarHBondContact O-N 3.48Å; L285-L287 HydrophobicContact CB-CD1 3.75Å; L285-L287 HydrophobicContact CB-CG 3.67Å; L285-L287 HydrophobicContact CD1-CD1 3.67Å; L285-L287 HydrophobicContact CD1-CG 4.49Å; L285-L287 HydrophobicContact CG-CD1 4.34Å; L285-L287 PolarHBondContact O-N 3.01Å
286G78.5Confident79.4Confident51 Ų5150.9 Ų50.953%0.52629%0.289SS..THydrogen-bonded Turntrans6922.2-175.600000113.8K282 S283 C284 E288K282-G286 PolarHBondContact O-N 3.31Å; K282-G286 VanDerWaalsContact O-N 3.11Å; S283-G286 PolarHBondContact O-N 3.31Å; C284-G286 VanDerWaalsContact C-N 3.33Å; G286-E288 PolarHBondContact O-N 3.49Å
287L72.1Confident79.4Confident0 Ų053.4 Ų53.40%030%0.3CS..G310 helixtrans-81.815.2-178.9-63.5173.8000113.1Y179 V256 F258 K282 L285 S289 L290Y179-L287 HydrophobicContact CE2-CD1 4.46Å; Y179-L287 HydrophobicContact CE2-CD2 3.57Å; Y179-L287 HydrophobicContact CE2-CG 4.25Å; Y179-L287 WeakPolarHBondContact OH-CD2 3.44Å; V256-L287 HydrophobicContact CG1-CD2 4.39Å; F258-L287 HydrophobicContact CB-CD1 4.25Å; F258-L287 HydrophobicContact CD2-CD1 3.59Å; F258-L287 HydrophobicContact CE2-CD1 4.32Å; F258-L287 HydrophobicContact CG-CD1 4.19Å; K282-L287 HydrophobicContact CB-CB 4.3Å; K282-L287 HydrophobicContact CG-CB 4.37Å; K282-L287 PolarHBondContact O-N 3.08Å; L285-L287 HydrophobicContact CB-CD1 3.75Å; L285-L287 HydrophobicContact CB-CG 3.67Å; L285-L287 HydrophobicContact CD1-CD1 3.67Å; L285-L287 HydrophobicContact CD1-CG 4.49Å; L285-L287 HydrophobicContact CG-CD1 4.34Å; L285-L287 PolarHBondContact O-N 3.01Å; L287-S289 PolarHBondContact O-N 2.95Å; L287-L290 HydrophobicContact CD2-CB 4.33Å; L287-L290 HydrophobicContact CD2-CD1 3.25Å; L287-L290 HydrophobicContact CD2-CG 4.36Å; L287-L290 HydrophobicContact CG-CD1 4.5Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.1Å
288E63.5Low79.2Confident138 Ų13855.6 Ų55.665%0.64531%0.31SS*.G310 helixtrans-63.2-31.8-172.2-63.3-173162.200112.5S283 G286S283-E288 WeakPolarHBondContact CB-OE1 3.48Å; S283-E288 PolarHBondContact OG-OE1 3.14Å; G286-E288 PolarHBondContact O-N 3.49Å
289S65.5Low78.9Confident110 Ų11059 Ų5977%0.76933%0.334SS*.G310 helixtrans-89.9-6.6177.161.30000114.2L287L287-S289 PolarHBondContact O-N 2.95Å
290L70.4Confident78.8Confident34 Ų3452.9 Ų52.918%0.17832%0.317CS..SBendtrans-91.3152.8-173.9-71.9171.1000112.3K255 V256 L287 Q292K255-L290 HydrophobicContact CG-CD2 4.03Å; V256-L290 HydrophobicContact CB-CD1 4.05Å; L287-L290 HydrophobicContact CD2-CB 4.33Å; L287-L290 HydrophobicContact CD2-CD1 3.25Å; L287-L290 HydrophobicContact CD2-CG 4.36Å; L287-L290 HydrophobicContact CG-CD1 4.5Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.1Å; L290-Q292 PolarHBondContact O-N 2.96Å
291M71.4Confident78.6Confident21 Ų2151.2 Ų51.210%0.10330%0.3CS..  trans-64.2127.9178.9175.5175.1-90.500109.5F258 I293 E309 L310 H313F258-M291 PolarHBondContact N-O 3.34Å; F258-M291 VanDerWaalsContact N-O 3.11Å; M291-I293 HydrophobicContact CG-CG1 4.04Å; M291-I293 HydrophobicContact SD-CD1 4.22Å; M291-I293 HydrophobicContact SD-CG1 4.34Å; M291-E309 HydrophobicContact CE-CB 3.91Å; M291-E309 HydrophobicContact SD-CB 4.06Å; M291-L310 HydrophobicContact SD-CD2 3.91Å; M291-L310 HydrophobicContact SD-CG 4.23Å; M291-H313 HydrophobicContact CE-CB 3.68Å; M291-H313 WeakPolarHBondContact CE-CD2 3.48Å; M291-H313 VanDerWaalsContact CE-CG 3.4Å
292Q81.1Confident78.4Confident59 Ų5954.8 Ų54.828%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-105.5125.4171.4168.1176.42.900108.7F258 L290 Q294F258-Q292 HydrophobicContact CD1-CB 4.33Å; F258-Q292 HydrophobicContact CD1-CG 4.02Å; F258-Q292 CarbonylContact O-C 3.43Å; F258-Q292 WeakPolarHBondContact O-CA 3.24Å; L290-Q292 PolarHBondContact O-N 2.96Å; Q292-Q294 HydrophobicContact CG-CG 4.34Å
293I84.5Confident78.2Confident16 Ų1656 Ų568%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-109.1129.9173.7-58.7-174.9000107.4V257 F258 V259 Q260 M291 L301 I306V257-I293 HydrophobicContact CG1-CD1 3.6Å; V257-I293 HydrophobicContact CG1-CG1 3.92Å; F258-I293 PolarHBondContact O-N 2.7Å; V259-I293 CarbonylContact C-O 3.35Å; V259-I293 WeakPolarHBondContact CA-O 3.45Å; Q260-I293 PolarHBondContact N-O 3.4Å; M291-I293 HydrophobicContact CG-CG1 4.04Å; M291-I293 HydrophobicContact SD-CD1 4.22Å; M291-I293 HydrophobicContact SD-CG1 4.34Å; I293-L301 HydrophobicContact CG2-CD2 4.37Å; I293-I306 HydrophobicContact CD1-CB 4.15Å; I293-I306 HydrophobicContact CD1-CD1 3.85Å; I293-I306 HydrophobicContact CD1-CG1 3.65Å; I293-I306 HydrophobicContact CD1-CG2 3.78Å
294Q85.2Confident78.2Confident140 Ų14060.9 Ų60.965%0.65434%0.338SS*.EExtended strand (participates in β ladder)trans-107.9120.9173.2-63.1-178.719.300107.3Q260 Q292Q260-Q294 HydrophobicContact CB-CG 4.45Å; Q260-Q294 WeakPolarHBondContact O-CA 3.36Å; Q292-Q294 HydrophobicContact CG-CG 4.34Å
295A84.9Confident78.1Confident4 Ų460.8 Ų60.83%0.03334%0.341CS..EExtended strand (participates in β ladder)trans-118.7136.3178.200000108.6Q260 L261 C262 D300 L301Q260-A295 PolarHBondContact O-N 3.36Å; L261-A295 WeakPolarHBondContact CA-O 3.2Å; L261-A295 HydrophobicContact CD1-CB 3.7Å; L261-A295 WeakPolarHBondContact CD1-O 3.31Å; C262-A295 PolarHBondContact N-O 3.28Å; A295-D300 HydrophobicContact CB-CB 3.85Å; A295-L301 HydrophobicContact CB-CD1 4.29Å; A295-L301 HydrophobicContact CB-CD2 3.6Å; A295-L301 HydrophobicContact CB-CG 3.71Å
296S82.3Confident78.2Confident51 Ų5160.5 Ų60.536%0.35734%0.339SS..SBendtrans-94.9-30.9168.650.60000110.4P263 D300P263-S296 WeakPolarHBondContact CA-O 3.25Å; S296-D300 PolarHBondContact N-OD2 3.24Å; S296-D300 VanDerWaalsContact N-OD2 3.13Å; S296-D300 PolarHBondContact OG-OD2 3.12Å
297D80.5Confident78.3Confident86 Ų8660.8 Ų60.846%0.4633%0.326SS..SBendtrans-119.3154.6176.2-154.7-44.9000111.4S299 D300D297-S299 WeakPolarHBondContact CB-OG 3.28Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 PolarHBondContact OD1-N 2.67Å; D297-D300 PolarHBondContact N-OD2 2.98Å; D297-D300 VanDerWaalsContact N-OD2 3.13Å; D297-D300 WeakPolarHBondContact O-CB 3.49Å; D297-D300 PolarHBondContact O-N 2.75Å; D297-D300 VanDerWaalsContact O-N 3.13Å
298I80.9Confident78.6Confident51 Ų5166.8 Ų66.826%0.26235%0.354SS..G310 helixtrans-61.4-28.8171.5-59.4145.6000109.9A222 I225 L261 D300 L301A222-I298 HydrophobicContact CB-CD1 3.46Å; A222-I298 VanDerWaalsContact CB-CD1 3.46Å; A222-I298 HydrophobicContact CB-CG1 4.14Å; A222-I298 HydrophobicContact CB-CG2 4.43Å; I225-I298 HydrophobicContact CD1-CD1 3.93Å; I225-I298 HydrophobicContact CD1-CG1 3.66Å; L261-I298 HydrophobicContact CD2-CG1 4.36Å; I298-D300 PolarHBondContact O-N 2.83Å; I298-L301 WeakPolarHBondContact O-CB 3.4Å; I298-L301 PolarHBondContact O-N 3.38Å; I298-L301 VanDerWaalsContact O-N 3.1Å
299S79Confident79.3Confident83 Ų8364.5 Ų64.558%0.5834%0.343SS*.G310 helixtrans-63.2-26.9175.359.90000113.8D297 L301D297-S299 WeakPolarHBondContact CB-OG 3.28Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 PolarHBondContact OD1-N 2.67Å; S299-L301 PolarHBondContact O-N 3.15Å
300D77.9Confident79.9Confident77 Ų7759.3 Ų59.341%0.41231%0.306SS..G310 helixtrans-70.1-22.2177-60.6-27.7000111.5A295 S296 D297 I298 D302A295-D300 HydrophobicContact CB-CB 3.85Å; S296-D300 PolarHBondContact N-OD2 3.24Å; S296-D300 VanDerWaalsContact N-OD2 3.13Å; S296-D300 PolarHBondContact OG-OD2 3.12Å; D297-D300 PolarHBondContact N-OD2 2.98Å; D297-D300 VanDerWaalsContact N-OD2 3.13Å; D297-D300 WeakPolarHBondContact O-CB 3.49Å; D297-D300 PolarHBondContact O-N 2.75Å; D297-D300 VanDerWaalsContact O-N 3.13Å; I298-D300 PolarHBondContact O-N 2.83Å; D300-D302 PolarHBondContact O-N 2.96Å; D300-D302 VanDerWaalsContact O-N 3.09Å
301L79.4Confident80Confident0 Ų061.5 Ų61.50%032%0.317CS..G310 helixtrans-84.337.1-178.5-62.7176.4000112.3Y214 Q218 L221 V259 L261 I293 A295 I298 S299 E303 I306Y214-L301 WeakPolarHBondContact CE1-O 3.48Å; Y214-L301 PolarHBondContact OH-O 2.93Å; Q218-L301 PolarHBondContact NE2-O 2.92Å; L221-L301 HydrophobicContact CD1-CD1 3.85Å; V259-L301 HydrophobicContact CB-CD2 4.36Å; V259-L301 HydrophobicContact CG1-CD1 3.86Å; V259-L301 HydrophobicContact CG1-CD2 3.34Å; V259-L301 HydrophobicContact CG1-CG 4.25Å; V259-L301 HydrophobicContact CG2-CD2 4.08Å; L261-L301 HydrophobicContact CD1-CD1 4.2Å; L261-L301 HydrophobicContact CD2-CD1 3.91Å; I293-L301 HydrophobicContact CG2-CD2 4.37Å; A295-L301 HydrophobicContact CB-CD1 4.29Å; A295-L301 HydrophobicContact CB-CD2 3.6Å; A295-L301 HydrophobicContact CB-CG 3.71Å; I298-L301 WeakPolarHBondContact O-CB 3.4Å; I298-L301 PolarHBondContact O-N 3.38Å; I298-L301 VanDerWaalsContact O-N 3.1Å; S299-L301 PolarHBondContact O-N 3.15Å; L301-E303 PolarHBondContact O-N 2.76Å; L301-I306 HydrophobicContact CD2-CD1 4.27Å
302D80.5Confident80.1Confident74 Ų7464.1 Ų64.140%0.39633%0.334SS..  trans-67.5131.9178.8-173.640.9000112D300 K304 A305 I306D300-D302 PolarHBondContact O-N 2.96Å; D300-D302 VanDerWaalsContact O-N 3.09Å; D302-K304 PolarHBondContact O-N 3.39Å; D302-K304 WeakPolarHBondContact OD2-CB 3.36Å; D302-A305 HydrophobicContact CB-CB 4.19Å; D302-A305 PolarHBondContact O-N 3.07Å; D302-A305 VanDerWaalsContact O-N 3.11Å; D302-I306 PolarHBondContact O-N 3.02Å
303E79.4Confident79.5Confident62 Ų6266.9 Ų66.929%0.2935%0.347SS..Hα-helixtrans-58-37.3-176.1-167.5-174.5154.400111.6Y214 L301 K307Y214-E303 HydrophobicContact CD1-CB 3.49Å; Y214-E303 VanDerWaalsContact CD1-CB 3.49Å; Y214-E303 HydrophobicContact CD1-CG 3.66Å; Y214-E303 HydrophobicContact CE1-CB 3.76Å; Y214-E303 HydrophobicContact CE1-CG 4.26Å; Y214-E303 HydrophobicContact CG-CB 4.21Å; Y214-E303 HydrophobicContact CG-CG 3.85Å; L301-E303 PolarHBondContact O-N 2.76Å; E303-K307 HydrophobicContact CG-CD 4.16Å; E303-K307 VanDerWaalsContact O-CB 3.32Å; E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 VanDerWaalsContact O-CG 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3Å; E303-K307 PolarHBondContact O-N 3.12Å; E303-K307 VanDerWaalsContact OE1-CE 3.3Å; E303-K307 WeakPolarHBondContact OE1-CE 3.4Å; E303-K307 IonicContact OE1-NZ 2.64Å; E303-K307 PolarHBondContact OE1-NZ 3Å
304K81.3Confident78.3Confident167 Ų16769.3 Ų69.373%0.72636%0.358SS*.Hα-helixtrans-69.6-41.4-179.9-61.2177.4179.5174.60111.5D302 H308D302-K304 PolarHBondContact O-N 3.39Å; D302-K304 WeakPolarHBondContact OD2-CB 3.36Å; K304-H308 VanDerWaalsContact O-CB 3.26Å; K304-H308 WeakPolarHBondContact O-CB 3.45Å; K304-H308 PolarHBondContact O-N 3.45Å
305A82Confident76.5Confident43 Ų4373.3 Ų73.336%0.35537%0.367SS..Hα-helixtrans-62.6-48.9177.700000110.8D302 K307 H308 E309D302-A305 HydrophobicContact CB-CB 4.19Å; D302-A305 PolarHBondContact O-N 3.07Å; D302-A305 VanDerWaalsContact O-N 3.11Å; A305-K307 PolarHBondContact O-N 3.2Å; A305-H308 WeakPolarHBondContact O-CB 3.41Å; A305-H308 PolarHBondContact O-N 3.49Å; A305-E309 PolarHBondContact O-N 3.43Å
306I81.3Confident74.3Confident4 Ų481.9 Ų81.92%0.02142%0.418CS..Hα-helixtrans-62.9-45.1178.7-61.1-169.9000111.3Y214 V257 I293 L301 D302 H308 E309 L310Y214-I306 HydrophobicContact CE2-CD1 4.11Å; Y214-I306 WeakPolarHBondContact OH-CD1 3.3Å; V257-I306 HydrophobicContact CG1-CG2 4.25Å; V257-I306 HydrophobicContact CG2-CG2 3.98Å; I293-I306 HydrophobicContact CD1-CB 4.15Å; I293-I306 HydrophobicContact CD1-CD1 3.85Å; I293-I306 HydrophobicContact CD1-CG1 3.65Å; I293-I306 HydrophobicContact CD1-CG2 3.78Å; L301-I306 HydrophobicContact CD2-CD1 4.27Å; D302-I306 PolarHBondContact O-N 3.02Å; I306-H308 VanDerWaalsContact C-N 3.29Å; I306-H308 PolarHBondContact O-N 3.07Å; I306-E309 PolarHBondContact O-N 2.49Å; I306-L310 HydrophobicContact CG2-CD1 4.04Å; I306-L310 HydrophobicContact CG2-CG 4.3Å; I306-L310 WeakPolarHBondContact O-CB 3.33Å; I306-L310 VanDerWaalsContact O-CG 3.29Å; I306-L310 WeakPolarHBondContact O-CG 3.32Å; I306-L310 PolarHBondContact O-N 2.9Å
307K80.5Confident73.9Confident56 Ų5683.4 Ų83.424%0.24342%0.421CS..Hα-helixtrans-60.7-39.5176.3-78.1179171.6176.90111.8V238 E303 A305 L310 M311V238-K307 HydrophobicContact CG1-CG 3.98Å; E303-K307 HydrophobicContact CG-CD 4.16Å; E303-K307 VanDerWaalsContact O-CB 3.32Å; E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 VanDerWaalsContact O-CG 3.29Å; E303-K307 WeakPolarHBondContact O-CG 3Å; E303-K307 PolarHBondContact O-N 3.12Å; E303-K307 VanDerWaalsContact OE1-CE 3.3Å; E303-K307 WeakPolarHBondContact OE1-CE 3.4Å; E303-K307 IonicContact OE1-NZ 2.64Å; E303-K307 PolarHBondContact OE1-NZ 3Å; A305-K307 PolarHBondContact O-N 3.2Å; K307-L310 PolarHBondContact O-N 3.49Å; K307-M311 VanDerWaalsContact O-CG 3.27Å; K307-M311 WeakPolarHBondContact O-CG 3.34Å; K307-M311 PolarHBondContact O-N 3.04Å
308H80.1Confident73.6Confident126 Ų12683.3 Ų83.358%0.58342%0.419SS*.Hα-helixtrans-65.9-43.5176.9-178.8-87.7000112.4K304 A305 I306 M311 T312K304-H308 VanDerWaalsContact O-CB 3.26Å; K304-H308 WeakPolarHBondContact O-CB 3.45Å; K304-H308 PolarHBondContact O-N 3.45Å; A305-H308 WeakPolarHBondContact O-CB 3.41Å; A305-H308 PolarHBondContact O-N 3.49Å; I306-H308 VanDerWaalsContact C-N 3.29Å; I306-H308 PolarHBondContact O-N 3.07Å; H308-M311 PolarHBondContact O-N 3.08Å; H308-T312 PolarHBondContact O-N 2.74Å; H308-T312 VanDerWaalsContact O-N 3.13Å; H308-T312 PolarHBondContact O-OG1 2.94Å
309E77.8Confident73.2Confident91 Ų9185.1 Ų85.143%0.42543%0.428SS..Hα-helixtrans-63-43.9174.9-72.7-169.9167.200111.8M291 A305 I306 M311 T312 H313M291-E309 HydrophobicContact CE-CB 3.91Å; M291-E309 HydrophobicContact SD-CB 4.06Å; A305-E309 PolarHBondContact O-N 3.43Å; I306-E309 PolarHBondContact O-N 2.49Å; E309-M311 VanDerWaalsContact C-N 3.33Å; E309-M311 PolarHBondContact O-N 3.16Å; E309-T312 PolarHBondContact O-N 2.82Å; E309-T312 VanDerWaalsContact O-N 3.15Å; E309-H313 PolarHBondContact O-N 2.91Å
310L76.9Confident72.9Confident0 Ų085.2 Ų85.20%042%0.419CS..Hα-helixtrans-58-43.2176.1-80.4176.2000112.6V238 F240 K255 V257 M291 I306 K307 T312 Q314V238-L310 HydrophobicContact CB-CD1 3.91Å; V238-L310 HydrophobicContact CG1-CD1 3.96Å; V238-L310 HydrophobicContact CG2-CD1 4.46Å; F240-L310 HydrophobicContact CD1-CD1 4.11Å; F240-L310 HydrophobicContact CE1-CB 4.2Å; F240-L310 HydrophobicContact CE1-CD1 4.11Å; F240-L310 HydrophobicContact CZ-CB 4.27Å; K255-L310 HydrophobicContact CB-CD2 4.32Å; K255-L310 HydrophobicContact CD-CD2 3.85Å; K255-L310 HydrophobicContact CG-CD2 4.09Å; V257-L310 HydrophobicContact CG2-CD1 3.68Å; V257-L310 HydrophobicContact CG2-CD2 3.76Å; V257-L310 HydrophobicContact CG2-CG 3.99Å; M291-L310 HydrophobicContact SD-CD2 3.91Å; M291-L310 HydrophobicContact SD-CG 4.23Å; I306-L310 HydrophobicContact CG2-CD1 4.04Å; I306-L310 HydrophobicContact CG2-CG 4.3Å; I306-L310 WeakPolarHBondContact O-CB 3.33Å; I306-L310 VanDerWaalsContact O-CG 3.29Å; I306-L310 WeakPolarHBondContact O-CG 3.32Å; I306-L310 PolarHBondContact O-N 2.9Å; K307-L310 PolarHBondContact O-N 3.49Å; L310-T312 VanDerWaalsContact C-N 3.33Å; L310-Q314 PolarHBondContact O-N 3.02Å
311M74Confident72.5Confident81 Ų8185.7 Ų85.740%0.39942%0.42SS..Hα-helixtrans-64.5-37.8176.7-73.7179.1-173.600112.2F240 K307 H308 E309F240-M311 HydrophobicContact CB-CE 4.42Å; F240-M311 HydrophobicContact CD2-CE 4.44Å; F240-M311 HydrophobicContact CD2-CG 4.04Å; F240-M311 HydrophobicContact CE2-CG 4.35Å; K307-M311 VanDerWaalsContact O-CG 3.27Å; K307-M311 WeakPolarHBondContact O-CG 3.34Å; K307-M311 PolarHBondContact O-N 3.04Å; H308-M311 PolarHBondContact O-N 3.08Å; E309-M311 VanDerWaalsContact C-N 3.33Å; E309-M311 PolarHBondContact O-N 3.16Å
312T73.8Confident72.1Confident76 Ų7691.4 Ų91.447%0.46645%0.448SS..Hα-helixtrans-68.9-43-179.4-560000111.1H308 E309 L310 Q314 R315H308-T312 PolarHBondContact O-N 2.74Å; H308-T312 VanDerWaalsContact O-N 3.13Å; H308-T312 PolarHBondContact O-OG1 2.94Å; E309-T312 PolarHBondContact O-N 2.82Å; E309-T312 VanDerWaalsContact O-N 3.15Å; L310-T312 VanDerWaalsContact C-N 3.33Å; T312-Q314 VanDerWaalsContact C-N 3.25Å; T312-Q314 PolarHBondContact O-N 2.85Å; T312-R315 PolarHBondContact O-N 2.99Å
313H68.5Low71.5Confident117 Ų11792.6 Ų92.654%0.54245%0.451SS..THydrogen-bonded Turntrans-73.9-6.3-178.4-95.7-85000115.5M291 E309M291-H313 HydrophobicContact CE-CB 3.68Å; M291-H313 WeakPolarHBondContact CE-CD2 3.48Å; M291-H313 VanDerWaalsContact CE-CG 3.4Å; E309-H313 PolarHBondContact O-N 2.91Å
314Q58.5Low70.9Confident67 Ų6795 Ų9531%0.31346%0.464SS..THydrogen-bonded Turntrans-86.9-10172-78.9-165.4-26.200113.8F240 L310 T312 V316F240-Q314 HydrophobicContact CZ-CG 4.38Å; L310-Q314 PolarHBondContact O-N 3.02Å; T312-Q314 VanDerWaalsContact C-N 3.25Å; T312-Q314 PolarHBondContact O-N 2.85Å; Q314-V316 VanDerWaalsContact C-N 3.34Å
315R47.9Very low70Confident223 Ų22389 Ų8984%0.84244%0.442SS*.  trans-88.62.1-178-64.9-174-177.7176.62.1114T312T312-R315 PolarHBondContact O-N 2.99Å
316V38.8Very low68.9Low184 Ų18493.2 Ų93.2100%1.11545%0.45SS*.  trans-115.10178.8-1720000109Q314Q314-V316 VanDerWaalsContact C-N 3.34Å

Retrieved 316 of 316 residues in 115.4 ms (Link to these results)

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