A0A3Q0KQB5_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A3Q0KQB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 559 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
1M36.8Very low39.8Very low110 Ų11052.3 Ų52.354%0.54225%0.246SC..  0122.30-81.7178168.100108.3I239 A298 T302M1-I239 HydrophobicContact SD-CD1 4.21Å; M1-A298 HydrophobicContact CE-CB 4Å; M1-T302 HydrophobicContact CE-CG2 4.14Å
2E42.4Very low39.3Very low110 Ų11051.3 Ų51.351%0.51426%0.26SS..PPolyproline II helixtrans-70.4145170.4-74176.2168.500109.6I4E2-I4 PolarHBondContact O-N 2.93Å
3K45.5Very low39.2Very low148 Ų14858.2 Ų58.264%0.64330%0.296SS*.PPolyproline II helixtrans-66.7124.8175-83.3176.4177.7169.90109T5K3-T5 PolarHBondContact O-N 2.82Å
4I47.4Very low39.4Very low30 Ų3058.6 Ų58.615%0.15430%0.296CS..PPolyproline II helixtrans-62.8131168.9-58.9-166.9000109.2E2 A158 L161 N207 L208E2-I4 PolarHBondContact O-N 2.93Å; I4-A158 HydrophobicContact CD1-CB 4.12Å; I4-L161 HydrophobicContact CG2-CD1 4.04Å; I4-L161 HydrophobicContact CG2-CD2 4Å; I4-L161 HydrophobicContact CG2-CG 3.74Å; I4-N207 HydrophobicContact CD1-CB 3.29Å; I4-N207 HydrophobicContact CG1-CB 3.86Å; I4-L208 HydrophobicContact CD1-CD2 3.51Å; I4-L208 HydrophobicContact CD1-CG 3.99Å
5T48.6Very low39.7Very low19 Ų1962 Ų6212%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-109.7142.3176.763.10000109.6K3 G7 C159 Q160 L161K3-T5 PolarHBondContact O-N 2.82Å; T5-G7 PolarHBondContact O-N 2.87Å; T5-C159 PolarHBondContact N-O 3.17Å; T5-C159 PolarHBondContact OG1-O 3.19Å; T5-Q160 VanDerWaalsContact O-CA 3.23Å; T5-Q160 WeakPolarHBondContact O-CA 3.38Å; T5-Q160 WeakPolarHBondContact OG1-CG 3.33Å; T5-L161 PolarHBondContact O-N 3.21Å
6H45.1Very low40.2Very low18 Ų1871.2 Ų71.28%0.08335%0.35CS..EExtended strand (participates in β ladder)trans-69.2123.5168.5-76.7-88.5000108.9D166 F211 M229H6-D166 IonicContact CE1-OD1 2.76Å; H6-D166 PolarHBondContact CE1-OD1 3.22Å; H6-D166 VanDerWaalsContact CE1-OD1 3.26Å; H6-D166 IonicContact ND1-OD1 2.78Å; H6-F211 AromaticContact CE1-CD1 3.73Å; H6-F211 AromaticContact CE1-CE1 3.37Å; H6-F211 WeakPolarHBondContact CE1-CE1 3.3Å; H6-F211 AromaticContact NE2-CD1 3.93Å; H6-F211 AromaticContact NE2-CE1 3.08Å; H6-F211 WeakPolarHBondContact NE2-CE1 3.43Å; H6-F211 AromaticContact NE2-CZ 3.67Å; H6-M229 PolarHBondContact CD2-SD 2.78Å; H6-M229 WeakPolarHBondContact NE2-CE 3.27Å; H6-M229 PolarHBondContact NE2-SD 3.48Å
7G40.1Very low41.1Very low0 Ų073.8 Ų73.80%036%0.361CS..  trans-86.4-157.1170.600000113.9T5 K71 L161T5-G7 PolarHBondContact O-N 2.87Å; G7-K71 WeakPolarHBondContact O-CD 3.39Å; G7-K71 WeakPolarHBondContact O-CE 3.39Å; G7-L161 CarbonylContact C-O 3.59Å; G7-L161 VanDerWaalsContact C-O 3.23Å; G7-L161 WeakPolarHBondContact CA-O 3.12Å; G7-L161 PolarHBondContact N-O 3.35Å
8G35.7Very low42.4Very low0 Ų074.2 Ų74.20%036%0.363CS..  trans-32144.6-160.900000122.7L69 Q163G8-L69 WeakPolarHBondContact CA-O 3.35Å; G8-L69 PolarHBondContact N-O 3.26Å; G8-Q163 VanDerWaalsContact O-CB 3.24Å; G8-Q163 WeakPolarHBondContact O-CB 3.48Å; G8-Q163 PolarHBondContact O-N 3.08Å
9F31.7Very low44.5Very low47 Ų4777.9 Ų77.921%0.20639%0.385CS..PPolyproline II helixtrans-73.3136.9154.5-169.7-110.7000109.4Q11 G12F9-Q11 VanDerWaalsContact CD1-CA 3.42Å; F9-Q11 HydrophobicContact CD1-CB 4.5Å; F9-Q11 HydrophobicContact CD1-CG 4.44Å; F9-Q11 HydrophobicContact CE1-CB 4.46Å; F9-G12 VanDerWaalsContact CE1-N 3.27Å
10A33.1Very low46.8Very low4 Ų476.4 Ų76.43%0.03338%0.383CS..BIsolated β-bridgetrans-82.3126.1152.600000106.8G12A10-G12 PolarHBondContact O-N 2.86Å; A10-G12 VanDerWaalsContact O-N 3.08Å
11Q31.7Very low49Very low89 Ų8975.7 Ų75.742%0.41638%0.378SS..SBendtrans-51.1120.5177.9-75.8-175.7-8.200110.9F9 R66 D126F9-Q11 VanDerWaalsContact CD1-CA 3.42Å; F9-Q11 HydrophobicContact CD1-CB 4.5Å; F9-Q11 HydrophobicContact CD1-CG 4.44Å; F9-Q11 HydrophobicContact CE1-CB 4.46Å; Q11-R66 WeakPolarHBondContact O-CD 3.45Å; Q11-R66 PolarHBondContact O-NE 3.47Å; Q11-R66 PolarHBondContact O-NH1 2.99Å; Q11-D126 PolarHBondContact NE2-OD2 2.9Å
12G34.1Very low51.9Low40 Ų4073.3 Ų73.341%0.41237%0.372SS..SBendtrans70.1-177.7168.700000116.8F9 A10 Q14F9-G12 VanDerWaalsContact CE1-N 3.27Å; A10-G12 PolarHBondContact O-N 2.86Å; A10-G12 VanDerWaalsContact O-N 3.08Å; G12-Q14 PolarHBondContact O-N 3.32Å
13I37.2Very low54.6Low141 Ų14168.1 Ų68.172%0.72335%0.348SS*.  trans-67.3124.7-178.6-61.1168.7000108.7T15I13-T15 PolarHBondContact O-N 3.36Å
14Q42.1Very low57.1Low64 Ų6467.7 Ų67.730%0.29934%0.343SS..  trans-61.5106166.7-79.1-172.8-5.200108.3G12G12-Q14 PolarHBondContact O-N 3.32Å
15T43.9Very low59.5Low110 Ų11066.6 Ų66.668%0.67534%0.337SS*.  trans-87.6-17.8-177.149.80000113.2I13I13-T15 PolarHBondContact O-N 3.36Å
16R48.3Very low61.9Low209 Ų20967.8 Ų67.879%0.78934%0.342SS*.SBendtrans-153.5129.1177.4-110.8177.9172.9-175.2-3109.9
17Q55.7Low64.4Low115 Ų11569.3 Ų69.354%0.53735%0.353SS..PPolyproline II helixtrans-70.8128165.5-78.4179.6-9.300108.5
18M63.3Low67.1Low81 Ų8170.7 Ų70.740%0.39936%0.361SS..PPolyproline II helixtrans-76154.8168.9-65.1-168.585.200109.4P63 N65M18-P63 HydrophobicContact CB-CG 4.04Å; M18-N65 HydrophobicContact CG-CB 4.14Å; M18-N65 HydrophobicContact SD-CB 4.15Å
19N82.2Confident70.1Confident145 Ų14573.1 Ų73.178%0.77537%0.372SS*.PPolyproline II helixtrans-60.2159.9167.6-67.2-20.4000110Q21N19-Q21 PolarHBondContact O-N 2.77Å
20S90.3Very high73.2Confident48 Ų4870.9 Ų70.934%0.33636%0.362SS..PPolyproline II helixtrans-50.9137.4174.4-160.80000111.3N59 V60 D339S20-N59 VanDerWaalsContact OG-CB 3.31Å; S20-N59 WeakPolarHBondContact OG-CB 3.49Å; S20-V60 WeakPolarHBondContact CA-O 3.49Å; S20-V60 PolarHBondContact OG-O 3Å; S20-D339 WeakPolarHBondContact CB-OD2 3.44Å; S20-D339 PolarHBondContact OG-OD2 2.85Å
21Q95Very high76.2Confident62 Ų6274.5 Ų74.529%0.2939%0.385SS..EExtended strand (participates in β ladder)trans-133.8140.7-178.8-71.4179.7-11.800110.7N19 L23 N59 V60 P63 N133N19-Q21 PolarHBondContact O-N 2.77Å; Q21-L23 PolarHBondContact O-N 3.25Å; Q21-N59 CarbonylContact O-C 3.53Å; Q21-N59 VanDerWaalsContact O-CA 3.26Å; Q21-N59 WeakPolarHBondContact O-CA 3.26Å; Q21-V60 PolarHBondContact N-O 2.73Å; Q21-V60 VanDerWaalsContact N-O 3.13Å; Q21-V60 PolarHBondContact O-N 3.47Å; Q21-P63 HydrophobicContact CB-CG 4.12Å; Q21-P63 HydrophobicContact CG-CG 4.04Å; Q21-N133 HydrophobicContact CB-CB 3.9Å
22S97.2Very high79.2Confident60 Ų6073.3 Ų73.342%0.4238%0.382SS..EExtended strand (participates in β ladder)trans-50.6133.8176.2171.20000111.5R24 Q55 N59 N133S22-R24 PolarHBondContact O-N 3.18Å; S22-Q55 PolarHBondContact OG-O 2.6Å; S22-N59 WeakPolarHBondContact CA-OD1 3.27Å; S22-N59 PolarHBondContact N-OD1 2.76Å; S22-N133 PolarHBondContact O-ND2 2.89Å
23L98.3Very high82.2Confident1 Ų171.4 Ų71.41%0.00536%0.362CS..  trans-60.6127.8177.7175.163.8000109.6Q21 I25 Q55 L58 V60 L202 Y338Q21-L23 PolarHBondContact O-N 3.25Å; L23-I25 HydrophobicContact CD2-CD1 4.09Å; L23-I25 HydrophobicContact CD2-CG1 3.96Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; L23-Q55 WeakPolarHBondContact O-CB 3.32Å; L23-Q55 VanDerWaalsContact O-CG 3.31Å; L23-Q55 WeakPolarHBondContact O-CG 3.4Å; L23-L58 HydrophobicContact CB-CB 4.16Å; L23-L58 WeakPolarHBondContact CB-O 3.29Å; L23-L58 HydrophobicContact CD2-CB 4.02Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 PolarHBondContact N-O 3.04Å; L23-V60 HydrophobicContact CB-CG2 4.42Å; L23-V60 HydrophobicContact CD1-CG2 3.83Å; L23-L202 HydrophobicContact CD2-CD2 3.94Å; L23-Y338 HydrophobicContact CD1-CE1 4.35Å; L23-Y338 HydrophobicContact CD2-CE1 4.31Å
24R98.2Very high85Confident139 Ų13968.8 Ų68.853%0.52535%0.348SS..EExtended strand (participates in β ladder)trans-107.3104.1174.4-175.3177.4177.1-178.6-0.3110.1S22 M26 N133 G134 Y135S22-R24 PolarHBondContact O-N 3.18Å; R24-M26 HydrophobicContact CG-CG 4.45Å; R24-N133 PolarHBondContact N-O 2.97Å; R24-G134 CarbonylContact O-C 3.36Å; R24-G134 VanDerWaalsContact O-CA 3.27Å; R24-G134 WeakPolarHBondContact O-CA 3.33Å; R24-Y135 PolarHBondContact O-N 2.8Å
25I98.6Very high87.6Confident7 Ų773.5 Ų73.54%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-87.2124.3175.6-52.3174.7000108.7L23 P27 L51 W54 Q55 Y135 M137 L202L23-I25 HydrophobicContact CD2-CD1 4.09Å; L23-I25 HydrophobicContact CD2-CG1 3.96Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; I25-P27 VanDerWaalsContact O-CD 3.3Å; I25-P27 WeakPolarHBondContact O-CD 3.48Å; I25-L51 HydrophobicContact CB-CD2 3.95Å; I25-L51 HydrophobicContact CD1-CD2 3.99Å; I25-L51 HydrophobicContact CG2-CD2 3.47Å; I25-L51 VanDerWaalsContact CG2-CD2 3.47Å; I25-W54 HydrophobicContact CD1-CB 3.88Å; I25-Q55 HydrophobicContact CB-CG 4.19Å; I25-Q55 HydrophobicContact CD1-CG 4.04Å; I25-Q55 HydrophobicContact CG1-CG 3.86Å; I25-Q55 PolarHBondContact O-OE1 3.28Å; I25-Y135 CarbonylContact C-O 3.47Å; I25-Y135 WeakPolarHBondContact CA-O 3.5Å; I25-Y135 HydrophobicContact CG2-CD1 4.19Å; I25-M137 HydrophobicContact CG2-CB 3.68Å; I25-M137 HydrophobicContact CG2-CE 4.21Å; I25-M137 HydrophobicContact CG2-SD 4.33Å; I25-L202 HydrophobicContact CD1-CD1 4.4Å
26M98Very high90Very high44 Ų4468.9 Ų68.922%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-105.199.4178.6-63.3-178.365.400108.3R24 F112 I130 Y135 L136 M137R24-M26 HydrophobicContact CG-CG 4.45Å; M26-F112 HydrophobicContact CE-CE1 3.74Å; M26-F112 HydrophobicContact CE-CZ 4.08Å; M26-I130 HydrophobicContact SD-CB 4.15Å; M26-I130 HydrophobicContact SD-CG2 3.87Å; M26-Y135 PolarHBondContact N-O 2.05Å; M26-L136 HydrophobicContact CB-CD1 4.18Å; M26-M137 PolarHBondContact O-N 2.95Å
27P97.9Very high92.3Very high49 Ų4965 Ų6532%0.31834%0.34SS..EExtended strand (participates in β ladder)trans-75134.3179.229.8-34000111I25 F29 L51 M137 I139I25-P27 VanDerWaalsContact O-CD 3.3Å; I25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-F29 HydrophobicContact CB-CE2 4.06Å; P27-F29 HydrophobicContact CB-CZ 4.02Å; P27-F29 HydrophobicContact CG-CE2 4.16Å; P27-F29 HydrophobicContact CG-CZ 4.28Å; P27-L51 HydrophobicContact CB-CD1 3.97Å; P27-L51 HydrophobicContact CG-CD1 3.91Å; P27-M137 CarbonylContact C-O 3.32Å; P27-M137 WeakPolarHBondContact CA-O 3.37Å; P27-I139 HydrophobicContact CB-CD1 4.36Å; P27-I139 HydrophobicContact CB-CG1 3.81Å
28V97.2Very high94.2Very high29 Ų2962.4 Ų62.418%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-118.4116.1167.4-176.50000107.9M106 P109 F112 L136 M137 I138 I139V28-M106 HydrophobicContact CB-CE 3.69Å; V28-M106 HydrophobicContact CG1-CE 3.29Å; V28-M106 HydrophobicContact CG1-SD 3.96Å; V28-P109 HydrophobicContact CG1-CG 4.14Å; V28-F112 HydrophobicContact CG2-CE2 4.11Å; V28-L136 HydrophobicContact CG2-CD1 3.57Å; V28-L136 HydrophobicContact CG2-CG 4.49Å; V28-M137 PolarHBondContact N-O 2.89Å; V28-I138 HydrophobicContact CB-CD1 4.22Å; V28-I139 PolarHBondContact O-N 3Å
29F97.2Very high95.7Very high51 Ų5163.4 Ų63.422%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-85.7119.9-175.4-61.6-82.5000110.6P27 F33 M34 K43 V47 I139P27-F29 HydrophobicContact CB-CE2 4.06Å; P27-F29 HydrophobicContact CB-CZ 4.02Å; P27-F29 HydrophobicContact CG-CE2 4.16Å; P27-F29 HydrophobicContact CG-CZ 4.28Å; F29-F33 HydrophobicContact CB-CD1 4.22Å; F29-F33 AromaticContact CD1-CD1 3.52Å; F29-F33 HydrophobicContact CD1-CD1 3.52Å; F29-F33 AromaticContact CD1-CE1 3.4Å; F29-F33 HydrophobicContact CD1-CE1 3.4Å; F29-F33 HydrophobicContact CD1-CG 4.18Å; F29-F33 AromaticContact CD1-CZ 3.95Å; F29-F33 HydrophobicContact CD1-CZ 3.95Å; F29-F33 HydrophobicContact CE1-CD1 4.33Å; F29-F33 AromaticContact CE1-CE1 3.75Å; F29-F33 HydrophobicContact CE1-CE1 3.75Å; F29-F33 AromaticContact CE1-CZ 3.99Å; F29-F33 HydrophobicContact CE1-CZ 3.99Å; F29-F33 HydrophobicContact CG-CD1 4.26Å; F29-F33 HydrophobicContact CG-CE1 4.41Å; F29-M34 HydrophobicContact CB-CG 4.01Å; F29-M34 HydrophobicContact CB-SD 3.74Å; F29-M34 HydrophobicContact CG-SD 4.24Å; F29-K43 HydrophobicContact CE1-CD 4.41Å; F29-K43 HydrophobicContact CE1-CG 4.03Å; F29-K43 HydrophobicContact CE2-CD 4.49Å; F29-K43 HydrophobicContact CZ-CD 4.15Å; F29-K43 HydrophobicContact CZ-CG 3.89Å; F29-V47 HydrophobicContact CE1-CG1 4.25Å; F29-I139 HydrophobicContact CD1-CB 3.73Å; F29-I139 HydrophobicContact CD1-CG1 4.13Å; F29-I139 HydrophobicContact CD1-CG2 3.93Å; F29-I139 HydrophobicContact CE1-CB 4.02Å; F29-I139 HydrophobicContact CE1-CG1 4.02Å; F29-I139 HydrophobicContact CE1-CG2 4Å
30A97Very high96.3Very high0 Ų059.2 Ų59.20%031%0.309CS..  trans-69.8156.2178.700000111.6N32 F33 M34 M106 I139 D140A30-N32 VanDerWaalsContact C-N 3.27Å; A30-N32 PolarHBondContact O-N 3.3Å; A30-F33 WeakPolarHBondContact O-CB 3.44Å; A30-F33 PolarHBondContact O-N 3.48Å; A30-F33 VanDerWaalsContact O-N 3.09Å; A30-M34 PolarHBondContact O-N 3.1Å; A30-M34 VanDerWaalsContact O-N 3.15Å; A30-M106 HydrophobicContact CB-SD 3.94Å; A30-I139 PolarHBondContact N-O 2.82Å; A30-D140 HydrophobicContact CB-CB 3.9Å; A30-D140 VanDerWaalsContact CB-OD1 3.3Å; A30-D140 WeakPolarHBondContact CB-OD1 3.1Å
31P96.5Very high96.6Very high80 Ų8058.2 Ų58.252%0.51930%0.299SS..Hα-helixtrans-56.4-36.4-180-2835.9000114.3M34 K35P31-M34 PolarHBondContact O-N 2.82Å; P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 VanDerWaalsContact O-CG 3.26Å; P31-K35 WeakPolarHBondContact O-CG 3.38Å; P31-K35 PolarHBondContact O-N 2.77Å
32N95.8Very high96.7Very high64 Ų6455.2 Ų55.234%0.34229%0.285SS..Hα-helixtrans-70.2-33.5179.4-68.8-28.5000112.1A30 N36 D140 S142A30-N32 VanDerWaalsContact C-N 3.27Å; A30-N32 PolarHBondContact O-N 3.3Å; N32-N36 PolarHBondContact O-N 2.79Å; N32-D140 WeakPolarHBondContact CB-OD1 3.44Å; N32-S142 PolarHBondContact ND2-OG 2.76Å
33F97Very high96.8Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-61.5-49.2170-173.2-83.3000111.8F29 A30 K35 N36 Y39 L42 K43 V47 I139 F175F29-F33 HydrophobicContact CB-CD1 4.22Å; F29-F33 AromaticContact CD1-CD1 3.52Å; F29-F33 HydrophobicContact CD1-CD1 3.52Å; F29-F33 AromaticContact CD1-CE1 3.4Å; F29-F33 HydrophobicContact CD1-CE1 3.4Å; F29-F33 HydrophobicContact CD1-CG 4.18Å; F29-F33 AromaticContact CD1-CZ 3.95Å; F29-F33 HydrophobicContact CD1-CZ 3.95Å; F29-F33 HydrophobicContact CE1-CD1 4.33Å; F29-F33 AromaticContact CE1-CE1 3.75Å; F29-F33 HydrophobicContact CE1-CE1 3.75Å; F29-F33 AromaticContact CE1-CZ 3.99Å; F29-F33 HydrophobicContact CE1-CZ 3.99Å; F29-F33 HydrophobicContact CG-CD1 4.26Å; F29-F33 HydrophobicContact CG-CE1 4.41Å; A30-F33 WeakPolarHBondContact O-CB 3.44Å; A30-F33 PolarHBondContact O-N 3.48Å; A30-F33 VanDerWaalsContact O-N 3.09Å; F33-K35 VanDerWaalsContact C-N 3.28Å; F33-K35 PolarHBondContact O-N 3.42Å; F33-N36 WeakPolarHBondContact O-CB 3.38Å; F33-N36 PolarHBondContact O-N 2.96Å; F33-N36 VanDerWaalsContact O-N 3.11Å; F33-Y39 WeakPolarHBondContact O-CB 3.27Å; F33-L42 HydrophobicContact CD2-CD2 3.82Å; F33-L42 HydrophobicContact CE2-CB 4.28Å; F33-L42 HydrophobicContact CE2-CD2 3.2Å; F33-L42 HydrophobicContact CE2-CG 3.51Å; F33-L42 HydrophobicContact CZ-CB 4.02Å; F33-L42 HydrophobicContact CZ-CD2 3.8Å; F33-L42 HydrophobicContact CZ-CG 3.71Å; F33-K43 HydrophobicContact CE1-CB 4.12Å; F33-K43 HydrophobicContact CZ-CB 4.26Å; F33-V47 HydrophobicContact CE2-CG2 4.17Å; F33-V47 HydrophobicContact CZ-CG2 4.18Å; F33-I139 HydrophobicContact CD2-CG2 3.61Å; F33-I139 HydrophobicContact CE2-CG2 3.38Å; F33-I139 HydrophobicContact CG-CG2 4.31Å; F33-I139 HydrophobicContact CZ-CG2 3.97Å; F33-F175 HydrophobicContact CE2-CD2 4.15Å; F33-F175 HydrophobicContact CE2-CE2 4.37Å
34M96.2Very high96.7Very high87 Ų8760.4 Ų60.443%0.42930%0.304SS..Hα-helixtrans-68.1-27.9-177.2-64.9-60.1-64.400113.2F29 A30 P31 N36F29-M34 HydrophobicContact CB-CG 4.01Å; F29-M34 HydrophobicContact CB-SD 3.74Å; F29-M34 HydrophobicContact CG-SD 4.24Å; A30-M34 PolarHBondContact O-N 3.1Å; A30-M34 VanDerWaalsContact O-N 3.15Å; P31-M34 PolarHBondContact O-N 2.82Å; M34-N36 VanDerWaalsContact C-N 3.31Å
35K96.5Very high96.6Very high162 Ų16257 Ų5770%0.70430%0.297SS*.THydrogen-bonded Turntrans-80.7-9.6174.7-71.1173.2-176.9179.60113.4P31 F33P31-K35 WeakPolarHBondContact O-CB 3.4Å; P31-K35 VanDerWaalsContact O-CG 3.26Å; P31-K35 WeakPolarHBondContact O-CG 3.38Å; P31-K35 PolarHBondContact O-N 2.77Å; F33-K35 VanDerWaalsContact C-N 3.28Å; F33-K35 PolarHBondContact O-N 3.42Å
36N94.1Very high96.5Very high13 Ų1356.9 Ų56.97%0.0730%0.296CS..SBendtrans-67130.8-179.1-169-56.4000110.1N32 F33 M34 K38 Y39 S141 L180N32-N36 PolarHBondContact O-N 2.79Å; F33-N36 WeakPolarHBondContact O-CB 3.38Å; F33-N36 PolarHBondContact O-N 2.96Å; F33-N36 VanDerWaalsContact O-N 3.11Å; M34-N36 VanDerWaalsContact C-N 3.31Å; N36-K38 PolarHBondContact O-N 2.93Å; N36-K38 VanDerWaalsContact O-N 3.07Å; N36-K38 PolarHBondContact OD1-N 3.01Å; N36-Y39 WeakPolarHBondContact O-CB 3.21Å; N36-Y39 PolarHBondContact O-N 3.16Å; N36-S141 PolarHBondContact ND2-OG 3.18Å; N36-L180 WeakPolarHBondContact ND2-CD1 3.29Å
37P95.5Very high96.6Very high127 Ų12754.8 Ų54.883%0.82529%0.286SS*.THydrogen-bonded Turntrans-56-27.8178.5-26.935.2000114.2
38K95.6Very high96.6Very high62 Ų6253.5 Ų53.527%0.2728%0.282SS..THydrogen-bonded Turntrans-96.616.9179.8-59.2-175.2176.1-169.90113.2N36 S40 F41 L42 L180 E182N36-K38 PolarHBondContact O-N 2.93Å; N36-K38 VanDerWaalsContact O-N 3.07Å; N36-K38 PolarHBondContact OD1-N 3.01Å; K38-S40 PolarHBondContact O-N 3.32Å; K38-F41 PolarHBondContact O-N 3.19Å; K38-L42 WeakPolarHBondContact O-CB 3.3Å; K38-L42 PolarHBondContact O-N 3.24Å; K38-L180 HydrophobicContact CB-CD1 4.41Å; K38-L180 HydrophobicContact CD-CB 3.81Å; K38-L180 PolarHBondContact NZ-O 2.84Å; K38-E182 HydrophobicContact CD-CG 3.92Å; K38-E182 HydrophobicContact CG-CG 4.44Å
39Y95.1Very high96.6Very high101 Ų10156.9 Ų56.940%0.39629%0.294SS..Hα-helixtrans-57-37-173.488.4-84.9000112.9F33 N36 L42 K43F33-Y39 WeakPolarHBondContact O-CB 3.27Å; N36-Y39 WeakPolarHBondContact O-CB 3.21Å; N36-Y39 PolarHBondContact O-N 3.16Å; Y39-L42 PolarHBondContact O-N 3.11Å; Y39-K43 WeakPolarHBondContact O-CB 3.42Å; Y39-K43 PolarHBondContact O-N 3.35Å
40S95.8Very high96.7Very high57 Ų5754.4 Ų54.440%0.39928%0.283SS..Hα-helixtrans-65.7-50.2-175.8-175.60000110.9K38 K43 N44K38-S40 PolarHBondContact O-N 3.32Å; S40-K43 PolarHBondContact O-N 3.37Å; S40-N44 WeakPolarHBondContact O-CB 3.36Å; S40-N44 PolarHBondContact O-N 2.05Å; S40-N44 PolarHBondContact O-ND2 3.03Å; S40-N44 PolarHBondContact OG-ND2 2.04Å
41F96.5Very high96.8Very high27 Ų2755 Ų5512%0.11829%0.286CS..Hα-helixtrans-59-50.9172.6164.4-103.2000111.1K38 K43 N44 D45 I46 E182 L190K38-F41 PolarHBondContact O-N 3.19Å; F41-K43 VanDerWaalsContact C-N 3.29Å; F41-K43 PolarHBondContact O-N 3.18Å; F41-N44 PolarHBondContact O-N 3.36Å; F41-D45 HydrophobicContact CD2-CB 3.71Å; F41-D45 HydrophobicContact CE2-CB 3.81Å; F41-D45 WeakPolarHBondContact O-CA 3.33Å; F41-D45 WeakPolarHBondContact O-CB 3.41Å; F41-D45 PolarHBondContact O-N 3.39Å; F41-I46 HydrophobicContact CD1-CG1 4.36Å; F41-I46 HydrophobicContact CE1-CD1 4.15Å; F41-I46 HydrophobicContact CE1-CG1 3.77Å; F41-I46 HydrophobicContact CE2-CD1 4.26Å; F41-I46 HydrophobicContact CE2-CG1 4.36Å; F41-I46 HydrophobicContact CZ-CD1 3.66Å; F41-I46 HydrophobicContact CZ-CG1 3.75Å; F41-E182 HydrophobicContact CB-CG 4.24Å; F41-E182 WeakPolarHBondContact CB-OE2 3.29Å; F41-E182 HydrophobicContact CD1-CB 4.23Å; F41-E182 HydrophobicContact CD1-CG 3.57Å; F41-E182 HydrophobicContact CD2-CB 4.16Å; F41-E182 HydrophobicContact CD2-CG 4.23Å; F41-E182 HydrophobicContact CE1-CB 4.19Å; F41-E182 HydrophobicContact CE1-CG 3.87Å; F41-E182 HydrophobicContact CE2-CB 4.15Å; F41-E182 HydrophobicContact CG-CB 4.19Å; F41-E182 HydrophobicContact CG-CG 3.75Å; F41-E182 HydrophobicContact CZ-CB 4.16Å; F41-E182 HydrophobicContact CZ-CG 4.34Å; F41-L190 HydrophobicContact CE1-CD2 3.71Å; F41-L190 HydrophobicContact CZ-CD2 4.27Å
42L97.4Very high96.9Very high0 Ų055.9 Ų55.90%029%0.287CS..Iπ-helixtrans-61-39.6-177.1-170.561.4000111.7F33 K38 Y39 I46 V47 F175 L180 L190F33-L42 HydrophobicContact CD2-CD2 3.82Å; F33-L42 HydrophobicContact CE2-CB 4.28Å; F33-L42 HydrophobicContact CE2-CD2 3.2Å; F33-L42 HydrophobicContact CE2-CG 3.51Å; F33-L42 HydrophobicContact CZ-CB 4.02Å; F33-L42 HydrophobicContact CZ-CD2 3.8Å; F33-L42 HydrophobicContact CZ-CG 3.71Å; K38-L42 WeakPolarHBondContact O-CB 3.3Å; K38-L42 PolarHBondContact O-N 3.24Å; Y39-L42 PolarHBondContact O-N 3.11Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG1 4.16Å; L42-I46 HydrophobicContact CD1-CG2 3.96Å; L42-I46 WeakPolarHBondContact O-CB 3.29Å; L42-V47 HydrophobicContact CG-CG2 4.47Å; L42-V47 WeakPolarHBondContact O-CB 3.04Å; L42-V47 VanDerWaalsContact O-CG2 3.3Å; L42-V47 WeakPolarHBondContact O-CG2 3.37Å; L42-V47 PolarHBondContact O-N 2.86Å; L42-F175 HydrophobicContact CD1-CD1 3.77Å; L42-F175 HydrophobicContact CD1-CD2 4.17Å; L42-F175 HydrophobicContact CD1-CE1 3.86Å; L42-F175 HydrophobicContact CD1-CE2 4.26Å; L42-F175 HydrophobicContact CD1-CG 3.92Å; L42-F175 HydrophobicContact CD1-CZ 4.1Å; L42-F175 HydrophobicContact CD2-CB 4Å; L42-F175 HydrophobicContact CD2-CD2 3.92Å; L42-F175 HydrophobicContact CD2-CG 3.93Å; L42-F175 HydrophobicContact CG-CD2 4.29Å; L42-F175 HydrophobicContact CG-CE2 4.48Å; L42-F175 HydrophobicContact CG-CG 4.4Å; L42-L180 HydrophobicContact CD1-CD2 3.94Å; L42-L180 HydrophobicContact CD2-CD1 4Å; L42-L180 HydrophobicContact CD2-CD2 4.25Å; L42-L190 HydrophobicContact CD1-CD2 4.3Å
43K98Very high97Very high76 Ų7653.9 Ų53.933%0.3328%0.275SS..Iπ-helixtrans-68.9-49.4178.4-176174.9178.6-1800112.1F29 F33 Y39 S40 F41 G48F29-K43 HydrophobicContact CE1-CD 4.41Å; F29-K43 HydrophobicContact CE1-CG 4.03Å; F29-K43 HydrophobicContact CE2-CD 4.49Å; F29-K43 HydrophobicContact CZ-CD 4.15Å; F29-K43 HydrophobicContact CZ-CG 3.89Å; F33-K43 HydrophobicContact CE1-CB 4.12Å; F33-K43 HydrophobicContact CZ-CB 4.26Å; Y39-K43 WeakPolarHBondContact O-CB 3.42Å; Y39-K43 PolarHBondContact O-N 3.35Å; S40-K43 PolarHBondContact O-N 3.37Å; F41-K43 VanDerWaalsContact C-N 3.29Å; F41-K43 PolarHBondContact O-N 3.18Å; K43-G48 PolarHBondContact O-N 2.86Å
44N96.1Very high97.1Very high93 Ų9353.9 Ų53.950%0.49728%0.275SS..Iπ-helixtrans-87.9-44.2-168.1-61.5-37.6000112.3S40 F41S40-N44 WeakPolarHBondContact O-CB 3.36Å; S40-N44 PolarHBondContact O-N 2.05Å; S40-N44 PolarHBondContact O-ND2 3.03Å; S40-N44 PolarHBondContact OG-ND2 2.04Å; F41-N44 PolarHBondContact O-N 3.36Å
45D96.2Very high97.2Very high69 Ų6951.9 Ų51.937%0.36927%0.265SS..Iπ-helixtrans-92.6-22.6-171.8-73.3-66.1000114.4F41 K49F41-D45 HydrophobicContact CD2-CB 3.71Å; F41-D45 HydrophobicContact CE2-CB 3.81Å; F41-D45 WeakPolarHBondContact O-CA 3.33Å; F41-D45 WeakPolarHBondContact O-CB 3.41Å; F41-D45 PolarHBondContact O-N 3.39Å; D45-K49 WeakPolarHBondContact O-CD 3.03Å; D45-K49 PolarHBondContact O-NZ 2.78Å; D45-K49 IonicContact OD1-NZ 3.39Å; D45-K49 PolarHBondContact OD1-NZ 3.13Å
46I98Very high97.3Very high3 Ų347.3 Ų47.32%0.01525%0.253CS..Iπ-helixtrans-109.8-69-177.7-54.3-58.1000110.1F41 L42 G48 K49 A50 F175 L190 L191 A194F41-I46 HydrophobicContact CD1-CG1 4.36Å; F41-I46 HydrophobicContact CE1-CD1 4.15Å; F41-I46 HydrophobicContact CE1-CG1 3.77Å; F41-I46 HydrophobicContact CE2-CD1 4.26Å; F41-I46 HydrophobicContact CE2-CG1 4.36Å; F41-I46 HydrophobicContact CZ-CD1 3.66Å; F41-I46 HydrophobicContact CZ-CG1 3.75Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG1 4.16Å; L42-I46 HydrophobicContact CD1-CG2 3.96Å; L42-I46 WeakPolarHBondContact O-CB 3.29Å; I46-G48 PolarHBondContact O-N 2.94Å; I46-K49 PolarHBondContact O-N 3.26Å; I46-A50 WeakPolarHBondContact O-CB 3Å; I46-A50 PolarHBondContact O-N 2.82Å; I46-F175 HydrophobicContact CG2-CE1 3.92Å; I46-F175 HydrophobicContact CG2-CZ 4.08Å; I46-L190 HydrophobicContact CD1-CB 4.25Å; I46-L190 HydrophobicContact CD1-CD2 4.05Å; I46-L190 HydrophobicContact CD1-CG 4Å; I46-L190 HydrophobicContact CG1-CD2 3.86Å; I46-L190 HydrophobicContact CG1-CG 4.07Å; I46-L190 HydrophobicContact CG2-CG 4.05Å; I46-L191 HydrophobicContact CD1-CB 3.95Å; I46-A194 HydrophobicContact CG2-CB 3.6Å
47V98.6Very high97.5Very high1 Ų146.7 Ų46.71%0.00625%0.25CC..Iπ-helixtrans-63-48.3-174.6172.60000110.9F29 F33 L42 K49 A50 L51 I139 F175 M198F29-V47 HydrophobicContact CE1-CG1 4.25Å; F33-V47 HydrophobicContact CE2-CG2 4.17Å; F33-V47 HydrophobicContact CZ-CG2 4.18Å; L42-V47 HydrophobicContact CG-CG2 4.47Å; L42-V47 WeakPolarHBondContact O-CB 3.04Å; L42-V47 VanDerWaalsContact O-CG2 3.3Å; L42-V47 WeakPolarHBondContact O-CG2 3.37Å; L42-V47 PolarHBondContact O-N 2.86Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.88Å; V47-A50 PolarHBondContact O-N 3.09Å; V47-L51 HydrophobicContact CG1-CD1 3.67Å; V47-L51 HydrophobicContact CG1-CG 4.06Å; V47-L51 WeakPolarHBondContact O-CB 3.25Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.27Å; V47-I139 HydrophobicContact CG1-CD1 4.2Å; V47-I139 HydrophobicContact CG1-CG1 4.32Å; V47-I139 HydrophobicContact CG1-CG2 4.28Å; V47-I139 HydrophobicContact CG2-CG2 3.89Å; V47-F175 HydrophobicContact CG2-CE2 3.57Å; V47-F175 HydrophobicContact CG2-CZ 3.75Å; V47-M198 HydrophobicContact CG1-CE 4.26Å
48G98.2Very high97.6Very high22 Ų2240.7 Ų40.723%0.22721%0.21CC..Hα-helixtrans-56.6-44.7179.100000113K43 I46 N52K43-G48 PolarHBondContact O-N 2.86Å; I46-G48 PolarHBondContact O-N 2.94Å; G48-N52 WeakPolarHBondContact O-CB 3.28Å; G48-N52 PolarHBondContact O-N 3.08Å; G48-N52 PolarHBondContact O-ND2 3.02Å
49K98.1Very high97.7Very high99 Ų9940 Ų4043%0.4321%0.21SC..Hα-helixtrans-68.4-42.2178.5-65.3-173.9-165.3144.40112.1D45 I46 V47 N52 F53 L191D45-K49 WeakPolarHBondContact O-CD 3.03Å; D45-K49 PolarHBondContact O-NZ 2.78Å; D45-K49 IonicContact OD1-NZ 3.39Å; D45-K49 PolarHBondContact OD1-NZ 3.13Å; I46-K49 PolarHBondContact O-N 3.26Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.88Å; K49-N52 PolarHBondContact O-N 3.41Å; K49-F53 PolarHBondContact O-N 3.13Å; K49-L191 HydrophobicContact CB-CD1 3.64Å; K49-L191 HydrophobicContact CD-CD2 4.23Å
50A98.5Very high97.8Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-65.4-41.817800000112.6I46 V47 F53 W54 A194 I195 M198I46-A50 WeakPolarHBondContact O-CB 3Å; I46-A50 PolarHBondContact O-N 2.82Å; V47-A50 PolarHBondContact O-N 3.09Å; A50-F53 PolarHBondContact O-N 3.03Å; A50-W54 PolarHBondContact O-N 2.79Å; A50-A194 HydrophobicContact CB-CB 3.91Å; A50-I195 HydrophobicContact CB-CG1 3.74Å; A50-M198 HydrophobicContact CB-CE 3.82Å; A50-M198 HydrophobicContact CB-SD 3.62Å
51L98.6Very high97.7Very high13 Ų1334.1 Ų34.17%0.06818%0.179CC..Hα-helixtrans-62.1-47174-69.9176000111.3I25 P27 V47 F53 W54 Q55 M137 M198I25-L51 HydrophobicContact CB-CD2 3.95Å; I25-L51 HydrophobicContact CD1-CD2 3.99Å; I25-L51 HydrophobicContact CG2-CD2 3.47Å; I25-L51 VanDerWaalsContact CG2-CD2 3.47Å; P27-L51 HydrophobicContact CB-CD1 3.97Å; P27-L51 HydrophobicContact CG-CD1 3.91Å; V47-L51 HydrophobicContact CG1-CD1 3.67Å; V47-L51 HydrophobicContact CG1-CG 4.06Å; V47-L51 WeakPolarHBondContact O-CB 3.25Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.45Å; V47-L51 PolarHBondContact O-N 3.27Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 PolarHBondContact O-N 3Å; L51-W54 PolarHBondContact O-N 2.8Å; L51-Q55 WeakPolarHBondContact O-CB 3.05Å; L51-Q55 VanDerWaalsContact O-CG 3.26Å; L51-Q55 WeakPolarHBondContact O-CG 3.1Å; L51-Q55 PolarHBondContact O-N 3.19Å; L51-M137 HydrophobicContact CD2-SD 3.97Å; L51-M198 HydrophobicContact CD2-CE 3.91Å; L51-M198 HydrophobicContact CD2-SD 3.89Å; L51-M198 HydrophobicContact CG-CE 4.02Å; L51-M198 HydrophobicContact CG-SD 4.31Å
52N98.3Very high97.4Very high98 Ų9835.8 Ų35.852%0.52419%0.185SC..Hα-helixtrans-58.8-43.7178.8-74.4-17.5000111.6G48 K49 W54 Q55 S56G48-N52 WeakPolarHBondContact O-CB 3.28Å; G48-N52 PolarHBondContact O-N 3.08Å; G48-N52 PolarHBondContact O-ND2 3.02Å; K49-N52 PolarHBondContact O-N 3.41Å; N52-W54 PolarHBondContact O-N 3.22Å; N52-Q55 PolarHBondContact O-N 3.49Å; N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.18Å; N52-S56 PolarHBondContact O-OG 2.75Å; N52-S56 VanDerWaalsContact O-OG 3.12Å
53F98.2Very high97.2Very high22 Ų2236 Ų3610%0.09619%0.186CC..Hα-helixtrans-54.7-54.5175.4167.2-98.5000111.9K49 A50 L51 Q55 S56 A57 I195 I324 L329 M344K49-F53 PolarHBondContact O-N 3.13Å; A50-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 PolarHBondContact O-N 3Å; F53-Q55 PolarHBondContact O-N 2.82Å; F53-S56 PolarHBondContact O-N 3.25Å; F53-A57 HydrophobicContact CE1-CB 4.44Å; F53-A57 HydrophobicContact CE2-CB 4.24Å; F53-A57 HydrophobicContact CZ-CB 4Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.57Å; F53-I195 HydrophobicContact CD1-CG2 3.59Å; F53-I195 HydrophobicContact CE1-CG2 3.75Å; F53-I195 HydrophobicContact CG-CG2 4.44Å; F53-I324 HydrophobicContact CD1-CD1 4.31Å; F53-I324 HydrophobicContact CD2-CD1 3.77Å; F53-I324 HydrophobicContact CE1-CD1 4.06Å; F53-I324 HydrophobicContact CE1-CG2 4.25Å; F53-I324 HydrophobicContact CE2-CD1 3.49Å; F53-I324 VanDerWaalsContact CE2-CD1 3.49Å; F53-I324 HydrophobicContact CE2-CG2 3.73Å; F53-I324 HydrophobicContact CG-CD1 4.19Å; F53-I324 HydrophobicContact CZ-CB 4.41Å; F53-I324 HydrophobicContact CZ-CD1 3.68Å; F53-I324 HydrophobicContact CZ-CG1 4.46Å; F53-I324 HydrophobicContact CZ-CG2 3.33Å; F53-L329 HydrophobicContact CZ-CD2 4.47Å; F53-M344 HydrophobicContact CD2-CE 3.9Å; F53-M344 HydrophobicContact CE2-CB 4.25Å; F53-M344 HydrophobicContact CE2-CE 4.22Å
54W98.7Very high96.7Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-67.4-35.5-175.9-76.7117.2000113.4I25 A50 L51 N52 S56 A57 L58 I195 G199 L202 L313 T328 L329 F332I25-W54 HydrophobicContact CD1-CB 3.88Å; A50-W54 PolarHBondContact O-N 2.79Å; L51-W54 PolarHBondContact O-N 2.8Å; N52-W54 PolarHBondContact O-N 3.22Å; W54-S56 VanDerWaalsContact C-N 3.31Å; W54-A57 PolarHBondContact O-N 3.31Å; W54-L58 HydrophobicContact CE3-CD1 3.62Å; W54-L58 HydrophobicContact CE3-CD2 4.48Å; W54-L58 HydrophobicContact CE3-CG 3.92Å; W54-L58 HydrophobicContact CZ3-CD1 4.08Å; W54-L58 HydrophobicContact CZ3-CD2 4.46Å; W54-L58 HydrophobicContact CZ3-CG 4.38Å; W54-L58 WeakPolarHBondContact O-CB 3.49Å; W54-L58 PolarHBondContact O-N 3.1Å; W54-I195 HydrophobicContact CZ2-CG2 4.14Å; W54-I195 WeakPolarHBondContact CZ2-O 3.49Å; W54-I195 PolarHBondContact NE1-O 2.86Å; W54-G199 VanDerWaalsContact CZ2-CA 3.44Å; W54-L202 HydrophobicContact CB-CD1 3.78Å; W54-L202 HydrophobicContact CD2-CD1 3.56Å; W54-L202 HydrophobicContact CE3-CD1 3.99Å; W54-L202 HydrophobicContact CG-CD1 3.47Å; W54-L202 VanDerWaalsContact CG-CD1 3.47Å; W54-L313 HydrophobicContact CH2-CD2 4.18Å; W54-L313 HydrophobicContact CZ2-CD2 4.07Å; W54-T328 HydrophobicContact CH2-CG2 4.42Å; W54-L329 HydrophobicContact CZ3-CD2 4.44Å; W54-F332 HydrophobicContact CH2-CD2 4.06Å; W54-F332 HydrophobicContact CH2-CE1 4.43Å; W54-F332 AromaticContact CH2-CE2 3.32Å; W54-F332 HydrophobicContact CH2-CE2 3.32Å; W54-F332 AromaticContact CH2-CZ 3.55Å; W54-F332 HydrophobicContact CH2-CZ 3.55Å; W54-F332 HydrophobicContact CZ2-CE2 4.41Å; W54-F332 HydrophobicContact CZ2-CZ 4.34Å; W54-F332 AromaticContact CZ3-CD2 3.9Å; W54-F332 HydrophobicContact CZ3-CD2 3.9Å; W54-F332 HydrophobicContact CZ3-CE1 4.22Å; W54-F332 AromaticContact CZ3-CE2 3.58Å; W54-F332 HydrophobicContact CZ3-CE2 3.58Å; W54-F332 HydrophobicContact CZ3-CG 4.39Å; W54-F332 AromaticContact CZ3-CZ 3.74Å; W54-F332 HydrophobicContact CZ3-CZ 3.74Å
55Q98.5Very high96.1Very high45 Ų4531 Ų3121%0.2116%0.163CC..Hα-helixtrans-67.8-31.5175.1-66.8-176.513800112.6S22 L23 I25 L51 N52 F53S22-Q55 PolarHBondContact OG-O 2.6Å; L23-Q55 WeakPolarHBondContact O-CB 3.32Å; L23-Q55 VanDerWaalsContact O-CG 3.31Å; L23-Q55 WeakPolarHBondContact O-CG 3.4Å; I25-Q55 HydrophobicContact CB-CG 4.19Å; I25-Q55 HydrophobicContact CD1-CG 4.04Å; I25-Q55 HydrophobicContact CG1-CG 3.86Å; I25-Q55 PolarHBondContact O-OE1 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.05Å; L51-Q55 VanDerWaalsContact O-CG 3.26Å; L51-Q55 WeakPolarHBondContact O-CG 3.1Å; L51-Q55 PolarHBondContact O-N 3.19Å; N52-Q55 PolarHBondContact O-N 3.49Å; F53-Q55 PolarHBondContact O-N 2.82Å
56S98.3Very high95.6Very high66 Ų6632.2 Ų32.246%0.46216%0.162SC..Hα-helixtrans-76.7-38.3173.8-66.50000112.4N52 F53 W54N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.18Å; N52-S56 PolarHBondContact O-OG 2.75Å; N52-S56 VanDerWaalsContact O-OG 3.12Å; F53-S56 PolarHBondContact O-N 3.25Å; W54-S56 VanDerWaalsContact C-N 3.31Å
57A98.4Very high95.4Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-76.4-29.4-176.500000113.9F53 W54 L329 V340 D341 M344F53-A57 HydrophobicContact CE1-CB 4.44Å; F53-A57 HydrophobicContact CE2-CB 4.24Å; F53-A57 HydrophobicContact CZ-CB 4Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 2.57Å; W54-A57 PolarHBondContact O-N 3.31Å; A57-L329 HydrophobicContact CB-CD2 4.26Å; A57-V340 WeakPolarHBondContact O-CA 3.38Å; A57-D341 PolarHBondContact O-N 2.99Å; A57-M344 HydrophobicContact CB-CB 4.07Å; A57-M344 HydrophobicContact CB-CG 4.13Å
58L98.7Very high95.1Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-117.9131.2-170.4-55.2-177.7000112.7L23 W54 L202 F332 Y338 V340L23-L58 HydrophobicContact CB-CB 4.16Å; L23-L58 WeakPolarHBondContact CB-O 3.29Å; L23-L58 HydrophobicContact CD2-CB 4.02Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 PolarHBondContact N-O 3.04Å; W54-L58 HydrophobicContact CE3-CD1 3.62Å; W54-L58 HydrophobicContact CE3-CD2 4.48Å; W54-L58 HydrophobicContact CE3-CG 3.92Å; W54-L58 HydrophobicContact CZ3-CD1 4.08Å; W54-L58 HydrophobicContact CZ3-CD2 4.46Å; W54-L58 HydrophobicContact CZ3-CG 4.38Å; W54-L58 WeakPolarHBondContact O-CB 3.49Å; W54-L58 PolarHBondContact O-N 3.1Å; L58-L202 HydrophobicContact CD1-CD1 4.28Å; L58-F332 HydrophobicContact CD1-CD1 3.99Å; L58-F332 HydrophobicContact CD1-CE1 4.34Å; L58-F332 HydrophobicContact CD2-CB 3.84Å; L58-F332 HydrophobicContact CD2-CD1 4.31Å; L58-F332 HydrophobicContact CD2-CG 4.1Å; L58-Y338 HydrophobicContact CB-CD1 3.91Å; L58-Y338 HydrophobicContact CB-CE1 4.46Å; L58-Y338 HydrophobicContact CB-CG 4.27Å; L58-Y338 HydrophobicContact CD1-CD1 4.17Å; L58-Y338 HydrophobicContact CD1-CD2 4.31Å; L58-Y338 HydrophobicContact CD1-CE1 4.19Å; L58-Y338 HydrophobicContact CD1-CE2 4.34Å; L58-Y338 HydrophobicContact CD1-CG 4.23Å; L58-Y338 HydrophobicContact CD2-CG 4.26Å; L58-Y338 HydrophobicContact CG-CD1 4.5Å; L58-Y338 HydrophobicContact CG-CG 4.5Å; L58-V340 HydrophobicContact CD2-CG1 4.41Å; L58-V340 HydrophobicContact CD2-CG2 3.81Å
59N98.4Very high94.9Very high47 Ų4735.2 Ų35.225%0.25117%0.173SC..EExtended strand (participates in β ladder)trans-110.8132.3164.3-61.2-83.4000109S20 Q21 S22 K61 Y338 D339S20-N59 VanDerWaalsContact OG-CB 3.31Å; S20-N59 WeakPolarHBondContact OG-CB 3.49Å; Q21-N59 CarbonylContact O-C 3.53Å; Q21-N59 VanDerWaalsContact O-CA 3.26Å; Q21-N59 WeakPolarHBondContact O-CA 3.26Å; S22-N59 WeakPolarHBondContact CA-OD1 3.27Å; S22-N59 PolarHBondContact N-OD1 2.76Å; N59-K61 PolarHBondContact O-N 3.19Å; N59-Y338 CarbonylContact O-C 3.38Å; N59-Y338 WeakPolarHBondContact O-CA 3.43Å; N59-D339 HydrophobicContact CB-CB 4.4Å; N59-D339 PolarHBondContact N-O 3.23Å; N59-D339 PolarHBondContact O-N 3.35Å
60V97.1Very high94.7Very high1 Ų130.5 Ų30.51%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-67.8116.5172.1179.10000108.5S20 Q21 L23 R62 P63 N133 Y338S20-V60 WeakPolarHBondContact CA-O 3.49Å; S20-V60 PolarHBondContact OG-O 3Å; Q21-V60 PolarHBondContact N-O 2.73Å; Q21-V60 VanDerWaalsContact N-O 3.13Å; Q21-V60 PolarHBondContact O-N 3.47Å; L23-V60 HydrophobicContact CB-CG2 4.42Å; L23-V60 HydrophobicContact CD1-CG2 3.83Å; V60-R62 PolarHBondContact O-N 2.72Å; V60-P63 HydrophobicContact CB-CB 4.34Å; V60-P63 HydrophobicContact CG1-CB 3.93Å; V60-P63 WeakPolarHBondContact O-CD 3.28Å; V60-N133 HydrophobicContact CB-CB 4.15Å; V60-N133 HydrophobicContact CG2-CB 4.13Å; V60-Y338 HydrophobicContact CG2-CD1 4.48Å; V60-Y338 HydrophobicContact CG2-CE1 4.31Å
61K93.5Very high94.4Very high34 Ų3431.3 Ų31.315%0.14816%0.156CC..SBendtrans-65.3-38.5-170.9-174166.6-169.3149.70113.6N59 D215 W337 D339N59-K61 PolarHBondContact O-N 3.19Å; K61-D215 IonicContact NZ-OD1 2.85Å; K61-D215 PolarHBondContact NZ-OD1 2.87Å; K61-W337 WeakPolarHBondContact CB-O 3.44Å; K61-W337 PolarHBondContact N-O 3.21Å; K61-D339 VanDerWaalsContact CD-OD1 3.3Å; K61-D339 WeakPolarHBondContact CD-OD1 3.41Å; K61-D339 WeakPolarHBondContact CE-OD1 3.24Å; K61-D339 WeakPolarHBondContact CG-OD1 3.24Å; K61-D339 WeakPolarHBondContact CG-OD2 3.38Å; K61-D339 IonicContact NZ-OD1 2.85Å; K61-D339 PolarHBondContact NZ-OD1 2.92Å
62R90.3Very high94.1Very high63 Ų6332.4 Ų32.424%0.23816%0.159CC..SBendtrans-13567.9-176.8-58.4-179.3-170.3-90.8-1.2110V60 D215 Y216V60-R62 PolarHBondContact O-N 2.72Å; R62-D215 PolarHBondContact NH2-O 3.01Å; R62-Y216 PolarHBondContact NH2-O 2.73Å
63P91.7Very high93.8Very high3 Ų330.2 Ų30.22%0.01915%0.146CC..  trans-68.8143.3-175.526.1-24.8000109.9M18 Q21 V60 N133M18-P63 HydrophobicContact CB-CG 4.04Å; Q21-P63 HydrophobicContact CB-CG 4.12Å; Q21-P63 HydrophobicContact CG-CG 4.04Å; V60-P63 HydrophobicContact CB-CB 4.34Å; V60-P63 HydrophobicContact CG1-CB 3.93Å; V60-P63 WeakPolarHBondContact O-CD 3.28Å; P63-N133 HydrophobicContact CB-CB 4.01Å
64S87.2Confident93.5Very high3 Ų329.7 Ų29.72%0.02115%0.145CC..  trans-61.3137.3172.7172.40000110R66 G132S64-R66 WeakPolarHBondContact CB-O 3.39Å; S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 PolarHBondContact OG-N 3.4Å; S64-R66 VanDerWaalsContact OG-N 3.11Å; S64-R66 PolarHBondContact OG-O 3.01Å; S64-G132 WeakPolarHBondContact O-CA 3.38Å
65N85.1Confident93.2Very high61 Ų6132 Ų3233%0.32616%0.159SC..SBendtrans-74.6-0.7172.166.4-15.3000113.1M18M18-N65 HydrophobicContact CG-CB 4.14Å; M18-N65 HydrophobicContact SD-CB 4.15Å
66R85.4Confident92.7Very high96 Ų9636.2 Ų36.236%0.36218%0.183SC..SBendtrans-127.5157.9175.7-60.1-169.8-164.7-164.65.2110.7Q11 S64 I68Q11-R66 WeakPolarHBondContact O-CD 3.45Å; Q11-R66 PolarHBondContact O-NE 3.47Å; Q11-R66 PolarHBondContact O-NH1 2.99Å; S64-R66 WeakPolarHBondContact CB-O 3.39Å; S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 PolarHBondContact OG-N 3.4Å; S64-R66 VanDerWaalsContact OG-N 3.11Å; S64-R66 PolarHBondContact OG-O 3.01Å; R66-I68 PolarHBondContact O-N 3.38Å
67N93.2Very high92.1Very high81 Ų8138 Ų3843%0.43319%0.187SC..  trans-61.7138.5174.3-67.3-2.6000111S128 I130N67-S128 VanDerWaalsContact CB-O 3.28Å; N67-S128 WeakPolarHBondContact CB-O 3.21Å; N67-S128 PolarHBondContact ND2-O 3.15Å; N67-I130 CarbonylContact C-O 3.5Å; N67-I130 WeakPolarHBondContact CA-O 3.28Å; N67-I130 VanDerWaalsContact CB-O 3.31Å; N67-I130 WeakPolarHBondContact CB-O 3.44Å
68I92.5Very high91.7Very high2 Ų244.4 Ų44.41%0.0121%0.212CC..BIsolated β-bridgetrans-88.9130.9177.5-57.6169.7000107.5R66 G129 I130 I169R66-I68 PolarHBondContact O-N 3.38Å; I68-G129 CarbonylContact O-C 3.5Å; I68-G129 VanDerWaalsContact O-CA 3.29Å; I68-G129 WeakPolarHBondContact O-CA 3.36Å; I68-I130 HydrophobicContact CB-CG1 3.88Å; I68-I130 PolarHBondContact N-O 3.27Å; I68-I130 PolarHBondContact O-N 2.94Å; I68-I169 HydrophobicContact CD1-CG2 4.1Å; I68-I169 HydrophobicContact CG2-CD1 3.49Å; I68-I169 VanDerWaalsContact CG2-CD1 3.49Å; I68-I169 HydrophobicContact CG2-CG2 4.39Å
69L94.8Very high91.2Very high6 Ų647.8 Ų47.83%0.03122%0.224CC..  trans-105.8133.5-179.6-64.9164.2000109.9G8 Q114 D126 G127G8-L69 WeakPolarHBondContact CA-O 3.35Å; G8-L69 PolarHBondContact N-O 3.26Å; L69-Q114 HydrophobicContact CB-CB 3.87Å; L69-Q114 HydrophobicContact CB-CG 4.33Å; L69-Q114 HydrophobicContact CD1-CG 4.28Å; L69-D126 HydrophobicContact CD1-CB 3.86Å; L69-D126 WeakPolarHBondContact CD1-OD2 3.38Å; L69-D126 HydrophobicContact CD2-CB 4.29Å; L69-G127 WeakPolarHBondContact CD2-O 3.08Å
70I93.9Very high90.7Very high0 Ų049 Ų490%023%0.225CC..BIsolated β-bridgetrans-74.2129.5176.1-58.3-50.9000109.7V108 F112 L113 Q114 L136 I169 L170I70-V108 HydrophobicContact CB-CG1 4.17Å; I70-V108 HydrophobicContact CG1-CG1 4.26Å; I70-V108 HydrophobicContact CG2-CB 4.5Å; I70-V108 HydrophobicContact CG2-CG1 4.11Å; I70-V108 HydrophobicContact CG2-CG2 4.2Å; I70-F112 HydrophobicContact CG1-CB 4.28Å; I70-F112 PolarHBondContact N-O 2.8Å; I70-L113 HydrophobicContact CB-CD2 4.26Å; I70-L113 HydrophobicContact CG2-CD2 4.2Å; I70-L113 WeakPolarHBondContact O-CA 3.11Å; I70-Q114 WeakPolarHBondContact O-CB 3.48Å; I70-Q114 PolarHBondContact O-N 2.79Å; I70-L136 HydrophobicContact CG1-CD2 4.19Å; I70-I169 HydrophobicContact CD1-CD1 3.94Å; I70-I169 HydrophobicContact CD1-CG1 4.26Å; I70-L170 HydrophobicContact CD1-CB 3.99Å; I70-L170 HydrophobicContact CD1-CD2 4.49Å; I70-L170 HydrophobicContact CG2-CD2 3.72Å
71K92.1Very high90.1Very high16 Ų1652 Ų527%0.0724%0.238CC..PPolyproline II helixtrans-74.2141.8-178.8-74.7-175.6-177.6-176.60110G7 D90 T91 S101 Q160G7-K71 WeakPolarHBondContact O-CD 3.39Å; G7-K71 WeakPolarHBondContact O-CE 3.39Å; K71-D90 IonicContact NZ-OD1 3.7Å; K71-T91 PolarHBondContact NZ-O 3.18Å; K71-S101 VanDerWaalsContact O-CB 3.29Å; K71-S101 WeakPolarHBondContact O-CB 3.29Å; K71-Q160 PolarHBondContact O-NE2 3.49Å
72R92.8Very high89.5Confident36 Ų3654 Ų5414%0.13625%0.247CC..PPolyproline II helixtrans-69.8147.7166.4-64.6170.5179.7-76.8-0.2109.3C97 L98 R99 Q110 Q114R72-C97 HydrophobicContact CB-CB 3.82Å; R72-L98 PolarHBondContact NH1-O 3.32Å; R72-R99 PolarHBondContact NH1-O 3.21Å; R72-Q110 VanDerWaalsContact NH2-CD 3.26Å; R72-Q114 WeakPolarHBondContact CD-O 3.45Å; R72-Q114 PolarHBondContact NE-O 3.41Å
73E90.5Very high89Confident53 Ų5355.5 Ų55.525%0.24827%0.265CS..PPolyproline II helixtrans-68.4151.2171-72.5175.6156.600110.5C97 L98E73-C97 CarbonylContact O-C 3.55Å; E73-C97 WeakPolarHBondContact O-CA 3.29Å; E73-L98 HydrophobicContact CB-CB 4.34Å; E73-L98 HydrophobicContact CB-CD1 3.83Å; E73-L98 HydrophobicContact CB-CG 4.26Å; E73-L98 PolarHBondContact O-N 3.28Å
74C91.8Very high88.1Confident10 Ų1058.5 Ų58.57%0.06828%0.281CS..BIsolated β-bridgetrans-92.2141178.6-57.50000110.4N76 D77 R78 C93C74-N76 PolarHBondContact O-N 2.93Å; C74-D77 PolarHBondContact O-N 2.69Å; C74-R78 WeakPolarHBondContact CB-O 3.26Å; C74-C93 WeakPolarHBondContact CA-SG 3.45Å; C74-C93 HydrophobicContact CB-CB 3.68Å; C74-C93 WeakPolarHBondContact CB-SG 3.38Å; C74-C93 WeakPolarHBondContact SG-CA 3.33Å; C74-C93 WeakPolarHBondContact SG-CB 3.47Å; C74-C93 CovalentContact SG-SG 2.05Å; C74-C93 PolarHBondContact SG-SG 3.25Å
75V92.7Very high87.3Confident50 Ų5069.1 Ų69.130%0.30333%0.326SS..G310 helixtrans-59128.6174.5176.70000108.8D77 R78 S96 L98V75-D77 PolarHBondContact O-N 2.91Å; V75-R78 PolarHBondContact O-N 2.84Å; V75-S96 WeakPolarHBondContact CG2-OG 3.19Å; V75-S96 PolarHBondContact N-O 2.82Å; V75-S96 VanDerWaalsContact N-O 3.11Å; V75-L98 HydrophobicContact CG2-CD2 3.86Å; V75-L98 HydrophobicContact CG2-CG 4.45Å
76N88.6Confident86.5Confident132 Ų13271.9 Ų71.971%0.70634%0.341SS*.G310 helixtrans57.726.2-175.9-54.7-38.1000114.5C74 R78C74-N76 PolarHBondContact O-N 2.93Å; N76-R78 HydrophobicContact CB-CG 4.21Å; N76-R78 PolarHBondContact O-N 2.98Å
77D85.2Confident85.7Confident104 Ų10470.4 Ų70.456%0.55636%0.356SS*.G310 helixtrans56.318.3-177-77.9-45.4000114.7C74 V75 R79C74-D77 PolarHBondContact O-N 2.69Å; V75-D77 PolarHBondContact O-N 2.91Å; D77-R79 PolarHBondContact O-N 3.07Å
78R89.6Confident84.7Confident135 Ų13568 Ų6851%0.50935%0.345SS..  trans-78.6106-177.5-69.2-169.3-177.8-170.51111.3C74 V75 N76 E94C74-R78 WeakPolarHBondContact CB-O 3.26Å; V75-R78 PolarHBondContact O-N 2.84Å; N76-R78 HydrophobicContact CB-CG 4.21Å; N76-R78 PolarHBondContact O-N 2.98Å; R78-E94 HydrophobicContact CB-CB 4.02Å; R78-E94 WeakPolarHBondContact CD-OE2 3.01Å; R78-E94 PolarHBondContact O-N 2.81Å
79R88.2Confident84Confident70 Ų7068.4 Ų68.426%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-108.4144.2-178.6-63.9177.3-165.5-164.50.2110.7D77 F81 T91 V92D77-R79 PolarHBondContact O-N 3.07Å; R79-F81 HydrophobicContact CB-CE2 4.29Å; R79-F81 HydrophobicContact CB-CZ 4.26Å; R79-T91 HydrophobicContact CB-CG2 3.75Å; R79-T91 HydrophobicContact CG-CG2 4.07Å; R79-V92 WeakPolarHBondContact CA-O 3.43Å
80W87.7Confident83.3Confident74 Ų7469 Ų6928%0.2835%0.351SS..EExtended strand (participates in β ladder)trans-113132.7171.2-172.5-86.8000109.9F82 T91 V92 E94 R119W80-F82 AromaticContact CD1-CD2 3.73Å; W80-F82 AromaticContact CD1-CE1 3.8Å; W80-F82 AromaticContact CD1-CE2 3.43Å; W80-F82 VanDerWaalsContact CD1-CE2 3.43Å; W80-F82 AromaticContact CD1-CZ 3.46Å; W80-F82 VanDerWaalsContact CD1-CZ 3.46Å; W80-F82 HydrophobicContact CG-CE2 4.49Å; W80-F82 AromaticContact NE1-CD1 3.87Å; W80-F82 AromaticContact NE1-CE1 3.53Å; W80-F82 AromaticContact NE1-CZ 3.64Å; W80-T91 WeakPolarHBondContact O-CA 3.25Å; W80-V92 HydrophobicContact CB-CG2 4.07Å; W80-V92 PolarHBondContact N-O 2.86Å; W80-V92 PolarHBondContact O-N 3.06Å; W80-E94 HydrophobicContact CB-CB 4.46Å; W80-E94 HydrophobicContact CE3-CG 4.31Å; W80-R119 HydrophobicContact CD2-CG 4.45Å; W80-R119 HydrophobicContact CG-CB 4.44Å; W80-R119 HydrophobicContact CG-CG 4.36Å; W80-R119 VanDerWaalsContact CZ3-NH1 3.32Å
81F86.3Confident82.8Confident62 Ų6269.9 Ų69.927%0.27236%0.356SS..EExtended strand (participates in β ladder)trans-104.6129.9-177-59.3-87.7000110.8R79 V89 D90 T91 V226 T227R79-F81 HydrophobicContact CB-CE2 4.29Å; R79-F81 HydrophobicContact CB-CZ 4.26Å; F81-V89 HydrophobicContact CB-CG1 3.82Å; F81-V89 HydrophobicContact CD1-CG1 3.95Å; F81-V89 HydrophobicContact CG-CG1 4.37Å; F81-D90 CarbonylContact C-O 3.56Å; F81-D90 VanDerWaalsContact CA-O 3.27Å; F81-D90 WeakPolarHBondContact CA-O 3.24Å; F81-T91 HydrophobicContact CD1-CG2 4Å; F81-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F81-T91 HydrophobicContact CE1-CG2 3.81Å; F81-T91 HydrophobicContact CZ-CG2 4.38Å; F81-V226 WeakPolarHBondContact CB-O 3.42Å; F81-T227 WeakPolarHBondContact CD1-O 3.48Å; F81-T227 HydrophobicContact CD2-CG2 4.36Å; F81-T227 WeakPolarHBondContact CE1-O 3.3Å; F81-T227 HydrophobicContact CE2-CG2 4.3Å; F81-T227 HydrophobicContact CZ-CG2 4.38Å
82F80.9Confident82.7Confident77 Ų7769.8 Ų69.834%0.33836%0.357SS..EExtended strand (participates in β ladder)trans-115.6108.2176.8-73.7-73.1000110.3W80 L84 D90 V92 R119W80-F82 AromaticContact CD1-CD2 3.73Å; W80-F82 AromaticContact CD1-CE1 3.8Å; W80-F82 AromaticContact CD1-CE2 3.43Å; W80-F82 VanDerWaalsContact CD1-CE2 3.43Å; W80-F82 AromaticContact CD1-CZ 3.46Å; W80-F82 VanDerWaalsContact CD1-CZ 3.46Å; W80-F82 HydrophobicContact CG-CE2 4.49Å; W80-F82 AromaticContact NE1-CD1 3.87Å; W80-F82 AromaticContact NE1-CE1 3.53Å; W80-F82 AromaticContact NE1-CZ 3.64Å; F82-L84 PolarHBondContact O-N 2.93Å; F82-D90 HydrophobicContact CB-CB 4.21Å; F82-D90 PolarHBondContact N-O 2.91Å; F82-D90 PolarHBondContact O-N 2.94Å; F82-V92 HydrophobicContact CD2-CG1 4.45Å; F82-V92 HydrophobicContact CD2-CG2 3.99Å; F82-V92 HydrophobicContact CE2-CG1 4.43Å; F82-V92 HydrophobicContact CE2-CG2 3.5Å; F82-V92 VanDerWaalsContact CE2-CG2 3.5Å; F82-R119 HydrophobicContact CZ-CG 4.1Å
83P77.9Confident82.7Confident95 Ų9568.3 Ų68.362%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-61.6126.3168.3-20.833.2000110.3
84L73.7Confident82.7Confident65 Ų6568 Ų6834%0.3435%0.351SS..  trans-94155.7176.3-63.3170.5000110.2F82 N86 G87 S88 D90F82-L84 PolarHBondContact O-N 2.93Å; L84-N86 WeakPolarHBondContact CB-OD1 3.14Å; L84-N86 PolarHBondContact O-N 3.42Å; L84-N86 VanDerWaalsContact O-N 3.16Å; L84-G87 PolarHBondContact O-N 3.29Å; L84-S88 VanDerWaalsContact CB-O 3.3Å; L84-S88 WeakPolarHBondContact CB-O 2.76Å; L84-S88 WeakPolarHBondContact CD1-OG 3.24Å; L84-S88 PolarHBondContact N-O 3.21Å; L84-D90 HydrophobicContact CD1-CB 4.05Å; L84-D90 HydrophobicContact CD2-CB 4.38Å; L84-D90 HydrophobicContact CG-CB 4.2Å
85K70.4Confident82.7Confident226 Ų22672 Ų7298%0.98337%0.368SS*.THydrogen-bonded Turntrans-61.1-25.5-178-68.5-174178.2-177.60114.1G87K85-G87 PolarHBondContact O-N 2.71Å
86N68.4Low82.8Confident120 Ų12072.1 Ų72.164%0.64237%0.372SS*.THydrogen-bonded Turntrans-81.34176.666.3-11.5000113L84 S88L84-N86 WeakPolarHBondContact CB-OD1 3.14Å; L84-N86 PolarHBondContact O-N 3.42Å; L84-N86 VanDerWaalsContact O-N 3.16Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact ND2-OG 2.91Å; N86-S88 PolarHBondContact O-N 3.37Å; N86-S88 PolarHBondContact OD1-N 3.39Å; N86-S88 VanDerWaalsContact OD1-N 3.1Å; N86-S88 PolarHBondContact OD1-OG 3Å
87G67.4Low83.1Confident65 Ų6567 Ų6767%0.6735%0.345SS*.SBendtrans83.5-2.8-179.100000114.9L84 K85L84-G87 PolarHBondContact O-N 3.29Å; K85-G87 PolarHBondContact O-N 2.71Å
88S72.5Confident83.5Confident29 Ų2965.6 Ų65.620%0.20334%0.338CS..  trans-80.7162.4169.669.40000111.1L84 N86L84-S88 VanDerWaalsContact CB-O 3.3Å; L84-S88 WeakPolarHBondContact CB-O 2.76Å; L84-S88 WeakPolarHBondContact CD1-OG 3.24Å; L84-S88 PolarHBondContact N-O 3.21Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact ND2-OG 2.91Å; N86-S88 PolarHBondContact O-N 3.37Å; N86-S88 PolarHBondContact OD1-N 3.39Å; N86-S88 VanDerWaalsContact OD1-N 3.1Å; N86-S88 PolarHBondContact OD1-OG 3Å
89V78.3Confident83.6Confident12 Ų1270.2 Ų70.27%0.07336%0.355CS..EExtended strand (participates in β ladder)trans-112.5131.8177.51780000108.7F81 Q163 P225 V226F81-V89 HydrophobicContact CB-CG1 3.82Å; F81-V89 HydrophobicContact CD1-CG1 3.95Å; F81-V89 HydrophobicContact CG-CG1 4.37Å; V89-Q163 PolarHBondContact O-NE2 2.93Å; V89-Q163 VanDerWaalsContact O-NE2 3.13Å; V89-P225 VanDerWaalsContact CG2-O 3.29Å; V89-P225 WeakPolarHBondContact CG2-O 3.42Å; V89-V226 WeakPolarHBondContact CG1-O 3.46Å
90D79.7Confident83.7Confident19 Ų1967.4 Ų67.410%0.10235%0.346CS..EExtended strand (participates in β ladder)trans-93.1149.5167.8-161.713.6000112.2K71 F81 F82 L84 Q163K71-D90 IonicContact NZ-OD1 3.7Å; F81-D90 CarbonylContact C-O 3.56Å; F81-D90 VanDerWaalsContact CA-O 3.27Å; F81-D90 WeakPolarHBondContact CA-O 3.24Å; F82-D90 HydrophobicContact CB-CB 4.21Å; F82-D90 PolarHBondContact N-O 2.91Å; F82-D90 PolarHBondContact O-N 2.94Å; L84-D90 HydrophobicContact CD1-CB 4.05Å; L84-D90 HydrophobicContact CD2-CB 4.38Å; L84-D90 HydrophobicContact CG-CB 4.2Å; D90-Q163 VanDerWaalsContact CG-NE2 3.34Å; D90-Q163 VanDerWaalsContact OD1-CD 3.3Å; D90-Q163 PolarHBondContact OD1-NE2 2.96Å; D90-Q163 PolarHBondContact OD1-OE1 2.6Å
91T84Confident83.8Confident17 Ų1763.9 Ų63.910%0.10433%0.333CS..EExtended strand (participates in β ladder)trans-133.8119.8-177.4-49.80000108.8K71 R79 W80 F81K71-T91 PolarHBondContact NZ-O 3.18Å; R79-T91 HydrophobicContact CB-CG2 3.75Å; R79-T91 HydrophobicContact CG-CG2 4.07Å; W80-T91 WeakPolarHBondContact O-CA 3.25Å; F81-T91 HydrophobicContact CD1-CG2 4Å; F81-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F81-T91 HydrophobicContact CE1-CG2 3.81Å; F81-T91 HydrophobicContact CZ-CG2 4.38Å
92V89.6Confident84.1Confident15 Ų1566.4 Ų66.49%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-122.2172.1174.6-57.80000109.5R79 W80 F82 R117R79-V92 WeakPolarHBondContact CA-O 3.43Å; W80-V92 HydrophobicContact CB-CG2 4.07Å; W80-V92 PolarHBondContact N-O 2.86Å; W80-V92 PolarHBondContact O-N 3.06Å; F82-V92 HydrophobicContact CD2-CG1 4.45Å; F82-V92 HydrophobicContact CD2-CG2 3.99Å; F82-V92 HydrophobicContact CE2-CG1 4.43Å; F82-V92 HydrophobicContact CE2-CG2 3.5Å; F82-V92 VanDerWaalsContact CE2-CG2 3.5Å; V92-R117 HydrophobicContact CB-CB 4.34Å; V92-R117 WeakPolarHBondContact CB-O 3.41Å; V92-R117 HydrophobicContact CG1-CB 3.99Å
93C92.2Very high84.7Confident4 Ų462.7 Ų62.73%0.02733%0.328CS..EExtended strand (participates in β ladder)trans-75.5142.1172-59.80000111C74 S96 R117 T118 R119C74-C93 WeakPolarHBondContact CA-SG 3.45Å; C74-C93 HydrophobicContact CB-CB 3.68Å; C74-C93 WeakPolarHBondContact CB-SG 3.38Å; C74-C93 WeakPolarHBondContact SG-CA 3.33Å; C74-C93 WeakPolarHBondContact SG-CB 3.47Å; C74-C93 CovalentContact SG-SG 2.05Å; C74-C93 PolarHBondContact SG-SG 3.25Å; C93-S96 WeakPolarHBondContact CB-O 3.43Å; C93-R117 PolarHBondContact N-O 3.28Å; C93-T118 CarbonylContact O-C 3.55Å; C93-T118 WeakPolarHBondContact O-CA 3.5Å; C93-R119 PolarHBondContact O-N 2.68Å
94E91.9Very high85.3Confident48 Ų4860 Ų6022%0.22431%0.307CS..SBendtrans-63.6-47.4-177.6-172.6177.2-156.500111.3R78 W80 Y120R78-E94 HydrophobicContact CB-CB 4.02Å; R78-E94 WeakPolarHBondContact CD-OE2 3.01Å; R78-E94 PolarHBondContact O-N 2.81Å; W80-E94 HydrophobicContact CB-CB 4.46Å; W80-E94 HydrophobicContact CE3-CG 4.31Å; E94-Y120 WeakPolarHBondContact O-CE2 3.17Å
95H92.4Very high86.1Confident92 Ų9260.5 Ų60.543%0.42631%0.312SS..SBendtrans-122.8-49.1-176.3-61.6-72.3000113.5T118 Y120H95-T118 WeakPolarHBondContact O-CG2 3.29Å; H95-Y120 AromaticContact ND1-CE2 3.56Å
96S93.6Very high87.1Confident54 Ų5450.7 Ų50.738%0.37827%0.271SS..  trans-153.9155.7-173.555.50000112.2V75 C93V75-S96 WeakPolarHBondContact CG2-OG 3.19Å; V75-S96 PolarHBondContact N-O 2.82Å; V75-S96 VanDerWaalsContact N-O 3.11Å; C93-S96 WeakPolarHBondContact CB-O 3.43Å
97C94.9Very high88.3Confident23 Ų2350.4 Ų50.416%0.15527%0.265CS..BIsolated β-bridgetrans-107.3154177.8-32.30000111.1R72 E73 C116R72-C97 HydrophobicContact CB-CB 3.82Å; E73-C97 CarbonylContact O-C 3.55Å; E73-C97 WeakPolarHBondContact O-CA 3.29Å; C97-C116 HydrophobicContact CB-CB 3.73Å; C97-C116 WeakPolarHBondContact CB-SG 3.35Å; C97-C116 PolarHBondContact N-SG 3Å; C97-C116 VanDerWaalsContact N-SG 3.36Å; C97-C116 WeakPolarHBondContact SG-CA 3.48Å; C97-C116 WeakPolarHBondContact SG-CB 3.28Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å
98L94Very high89.6Confident76 Ų7647.5 Ų47.540%0.39823%0.234SC..  trans-68.8159.2165.6-64.8-175.9000111.2R72 E73 V75 S100R72-L98 PolarHBondContact NH1-O 3.32Å; E73-L98 HydrophobicContact CB-CB 4.34Å; E73-L98 HydrophobicContact CB-CD1 3.83Å; E73-L98 HydrophobicContact CB-CG 4.26Å; E73-L98 PolarHBondContact O-N 3.28Å; V75-L98 HydrophobicContact CG2-CD2 3.86Å; V75-L98 HydrophobicContact CG2-CG 4.45Å; L98-S100 PolarHBondContact O-N 2.92Å
99R90.7Very high90.7Very high231 Ų23147.5 Ų47.587%0.87223%0.234SC*.SBendtrans-67.4-10.9179.9-72.6-168.6-178.8-169.61.9114.4R72R72-R99 PolarHBondContact NH1-O 3.21Å
100S90.5Very high91.5Very high11 Ų1151.5 Ų51.58%0.07725%0.252CS..SBendtrans-157.4-179.4170.2-168.20000109.4L98 V108L98-S100 PolarHBondContact O-N 2.92Å; S100-V108 PolarHBondContact OG-N 3.33Å; S100-V108 PolarHBondContact OG-O 2.74Å
101S90.8Very high92.3Very high1 Ų155 Ų551%0.00727%0.268CS..  trans-103.9140.5157.7-171.50000108.1K71 V108 Q160K71-S101 VanDerWaalsContact O-CB 3.29Å; K71-S101 WeakPolarHBondContact O-CB 3.29Å; S101-V108 WeakPolarHBondContact O-CG2 3.01Å; S101-V108 PolarHBondContact O-N 2.91Å; S101-Q160 PolarHBondContact OG-NE2 2.97Å
102K91.6Very high92.9Very high114 Ų11455.1 Ų55.150%0.49627%0.267SS..EExtended strand (participates in β ladder)trans-90.1149.2168.5-67.5-173.6178.9-1740110.3M106 E107K102-M106 WeakPolarHBondContact CA-O 3.49Å; K102-E107 HydrophobicContact CG-CG 4.16Å
103C93.8Very high93.2Very high0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-142.6108165.7-177.10000106.6M106 I138 C159 L170 G171C103-M106 PolarHBondContact N-O 3.22Å; C103-M106 PolarHBondContact O-N 3.37Å; C103-I138 HydrophobicContact CB-CG1 4.03Å; C103-C159 WeakPolarHBondContact CA-SG 3.44Å; C103-C159 HydrophobicContact CB-CB 3.78Å; C103-C159 WeakPolarHBondContact CB-SG 3.4Å; C103-C159 WeakPolarHBondContact SG-CB 3.44Å; C103-C159 CovalentContact SG-SG 2.05Å; C103-C159 PolarHBondContact SG-SG 3.5Å; C103-L170 HydrophobicContact CB-CD1 4.22Å; C103-L170 HydrophobicContact CB-CD2 3.97Å; C103-L170 HydrophobicContact CB-CG 4.12Å; C103-G171 VanDerWaalsContact SG-C 3.57Å
104H91.2Very high93.3Very high38 Ų3854.6 Ų54.618%0.17626%0.263CS..THydrogen-bonded Turntrans56.4-131.9-163.6-164.848.9000112.1M106 D140 F155 F172 N174H104-M106 VanDerWaalsContact C-N 3.25Å; H104-M106 PolarHBondContact O-N 2.84Å; H104-D140 IonicContact CD2-OD2 3.29Å; H104-D140 PolarHBondContact CD2-OD2 3.14Å; H104-D140 VanDerWaalsContact CD2-OD2 3.29Å; H104-D140 IonicContact NE2-OD2 3.03Å; H104-F155 AromaticContact CE1-CE2 3.83Å; H104-F155 AromaticContact CE1-CZ 3.74Å; H104-F172 HydrophobicContact CB-CB 4.01Å; H104-F172 HydrophobicContact CB-CD1 3.79Å; H104-F172 HydrophobicContact CB-CD2 3.76Å; H104-F172 HydrophobicContact CB-CE1 4.15Å; H104-F172 HydrophobicContact CB-CE2 4.16Å; H104-F172 HydrophobicContact CB-CG 3.57Å; H104-F172 HydrophobicContact CB-CZ 4.33Å; H104-F172 AromaticContact CG-CD2 3.81Å; H104-F172 AromaticContact CG-CE2 3.94Å; H104-F172 AromaticContact ND1-CE2 3.96Å; H104-N174 PolarHBondContact NE2-OD1 3.45Å
105T89.9Confident93.5Very high75 Ų7552.5 Ų52.546%0.4625%0.254SS..THydrogen-bonded Turntrans-77.1-9.9-177.766.60000114D140 S142T105-D140 WeakPolarHBondContact CG2-OD2 3.19Å; T105-D140 PolarHBondContact OG1-OD2 3.4Å; T105-S142 WeakPolarHBondContact CG2-OG 3.39Å
106M91.8Very high93.6Very high21 Ų2148.8 Ų48.810%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-108137.8-167.1-159.3168.572.800112.1V28 A30 K102 C103 H104 I138V28-M106 HydrophobicContact CB-CE 3.69Å; V28-M106 HydrophobicContact CG1-CE 3.29Å; V28-M106 HydrophobicContact CG1-SD 3.96Å; A30-M106 HydrophobicContact CB-SD 3.94Å; K102-M106 WeakPolarHBondContact CA-O 3.49Å; C103-M106 PolarHBondContact N-O 3.22Å; C103-M106 PolarHBondContact O-N 3.37Å; H104-M106 VanDerWaalsContact C-N 3.25Å; H104-M106 PolarHBondContact O-N 2.84Å; M106-I138 HydrophobicContact CB-CG2 3.88Å; M106-I138 HydrophobicContact CE-CB 4.02Å; M106-I138 HydrophobicContact CE-CD1 3.25Å; M106-I138 HydrophobicContact CE-CG1 3.71Å; M106-I138 HydrophobicContact CE-CG2 3.48Å; M106-I138 VanDerWaalsContact CE-CG2 3.48Å; M106-I138 HydrophobicContact SD-CG2 4.12Å
107E94.2Very high93.6Very high113 Ų11347.8 Ų47.853%0.52823%0.226SC..EExtended strand (participates in β ladder)trans-77.6132.4164.2-68.3-172.3173.100109.3K102K102-E107 HydrophobicContact CG-CG 4.16Å
108V95.1Very high93.5Very high4 Ų447.7 Ų47.72%0.02423%0.225CC..PPolyproline II helixtrans-63.4129.6178.2174.10000109.1I70 S100 S101 F112 L113 L136 L170I70-V108 HydrophobicContact CB-CG1 4.17Å; I70-V108 HydrophobicContact CG1-CG1 4.26Å; I70-V108 HydrophobicContact CG2-CB 4.5Å; I70-V108 HydrophobicContact CG2-CG1 4.11Å; I70-V108 HydrophobicContact CG2-CG2 4.2Å; S100-V108 PolarHBondContact OG-N 3.33Å; S100-V108 PolarHBondContact OG-O 2.74Å; S101-V108 WeakPolarHBondContact O-CG2 3.01Å; S101-V108 PolarHBondContact O-N 2.91Å; V108-F112 HydrophobicContact CG1-CB 3.91Å; V108-L113 HydrophobicContact CB-CD2 3.88Å; V108-L113 HydrophobicContact CB-CG 4.43Å; V108-L113 HydrophobicContact CG1-CD2 3.79Å; V108-L113 HydrophobicContact CG1-CG 4.14Å; V108-L136 HydrophobicContact CG1-CD2 3.9Å; V108-L170 HydrophobicContact CG2-CD1 4.36Å; V108-L170 HydrophobicContact CG2-CD2 3.7Å
109P95.7Very high93.4Very high30 Ų3049.8 Ų49.820%0.19523%0.227CC..PPolyproline II helixtrans-57.3146179.3-26.733.9000113.4V28 E111 F112V28-P109 HydrophobicContact CG1-CG 4.14Å; P109-E111 HydrophobicContact CB-CG 4.4Å; P109-E111 VanDerWaalsContact CB-OE1 3.28Å; P109-E111 WeakPolarHBondContact CB-OE1 3.27Å; P109-E111 WeakPolarHBondContact CB-OE2 3.23Å; P109-E111 PolarHBondContact O-N 3.29Å; P109-F112 HydrophobicContact CB-CD2 3.81Å; P109-F112 HydrophobicContact CB-CE2 4.03Å; P109-F112 HydrophobicContact CG-CD2 4.02Å; P109-F112 HydrophobicContact CG-CE2 4.06Å; P109-F112 PolarHBondContact O-N 2.85Å
110Q95.2Very high93.4Very high95 Ų9546.6 Ų46.644%0.44422%0.216SC..G310 helixtrans-61.6-29.6-170.2-175.552.565.800113.2R72 F112 L113R72-Q110 VanDerWaalsContact NH2-CD 3.26Å; Q110-F112 PolarHBondContact O-N 2.83Å; Q110-L113 PolarHBondContact O-N 3.37Å
111E96.2Very high93.5Very high94 Ų9447.7 Ų47.744%0.43923%0.23SC..G310 helixtrans-64.6-23.2176.266-87.9-154.100113.3P109 G127 S128 G129P109-E111 HydrophobicContact CB-CG 4.4Å; P109-E111 VanDerWaalsContact CB-OE1 3.28Å; P109-E111 WeakPolarHBondContact CB-OE1 3.27Å; P109-E111 WeakPolarHBondContact CB-OE2 3.23Å; P109-E111 PolarHBondContact O-N 3.29Å; E111-G127 CarbonylContact O-C 3.4Å; E111-G127 VanDerWaalsContact O-C 3.32Å; E111-G127 WeakPolarHBondContact O-CA 3.18Å; E111-S128 PolarHBondContact O-N 3.37Å; E111-S128 PolarHBondContact O-OG 2.74Å; E111-G129 PolarHBondContact O-N 3.11Å
112F96.7Very high93.6Very high18 Ų1852.2 Ų52.28%0.07926%0.258CS..G310 helixtrans-94.9-13.9177.6-56.6-62.6000113.4M26 V28 I70 V108 P109 Q110 I130 L136M26-F112 HydrophobicContact CE-CE1 3.74Å; M26-F112 HydrophobicContact CE-CZ 4.08Å; V28-F112 HydrophobicContact CG2-CE2 4.11Å; I70-F112 HydrophobicContact CG1-CB 4.28Å; I70-F112 PolarHBondContact N-O 2.8Å; V108-F112 HydrophobicContact CG1-CB 3.91Å; P109-F112 HydrophobicContact CB-CD2 3.81Å; P109-F112 HydrophobicContact CB-CE2 4.03Å; P109-F112 HydrophobicContact CG-CD2 4.02Å; P109-F112 HydrophobicContact CG-CE2 4.06Å; P109-F112 PolarHBondContact O-N 2.85Å; Q110-F112 PolarHBondContact O-N 2.83Å; F112-I130 HydrophobicContact CD1-CG2 3.5Å; F112-I130 VanDerWaalsContact CD1-CG2 3.5Å; F112-I130 HydrophobicContact CE1-CG2 3.84Å; F112-I130 HydrophobicContact CG-CG2 4.39Å; F112-L136 HydrophobicContact CB-CD2 3.92Å; F112-L136 HydrophobicContact CD1-CD1 4.43Å; F112-L136 HydrophobicContact CD1-CD2 4.41Å; F112-L136 HydrophobicContact CD2-CD1 4.04Å; F112-L136 HydrophobicContact CD2-CD2 3.69Å; F112-L136 HydrophobicContact CE1-CD1 4.25Å; F112-L136 HydrophobicContact CE2-CD1 3.85Å; F112-L136 HydrophobicContact CE2-CD2 4.34Å; F112-L136 HydrophobicContact CG-CD1 4.33Å; F112-L136 HydrophobicContact CG-CD2 3.74Å; F112-L136 HydrophobicContact CZ-CD1 3.96Å
113L95.7Very high93.7Very high1 Ų150.1 Ų50.11%0.00526%0.257CS..BIsolated β-bridgetrans-81.2145.2-171.1-70.9177.2000112.9I70 V108 Q110 G127I70-L113 HydrophobicContact CB-CD2 4.26Å; I70-L113 HydrophobicContact CG2-CD2 4.2Å; I70-L113 WeakPolarHBondContact O-CA 3.11Å; V108-L113 HydrophobicContact CB-CD2 3.88Å; V108-L113 HydrophobicContact CB-CG 4.43Å; V108-L113 HydrophobicContact CG1-CD2 3.79Å; V108-L113 HydrophobicContact CG1-CG 4.14Å; Q110-L113 PolarHBondContact O-N 3.37Å; L113-G127 PolarHBondContact O-N 2.85Å
114Q94.7Very high93.6Very high8 Ų853.2 Ų53.24%0.03729%0.289CS..PPolyproline II helixtrans-69.6149.8162.8-166.7175.780.500110.7L69 I70 R72 R117 D126L69-Q114 HydrophobicContact CB-CB 3.87Å; L69-Q114 HydrophobicContact CB-CG 4.33Å; L69-Q114 HydrophobicContact CD1-CG 4.28Å; I70-Q114 WeakPolarHBondContact O-CB 3.48Å; I70-Q114 PolarHBondContact O-N 2.79Å; R72-Q114 WeakPolarHBondContact CD-O 3.45Å; R72-Q114 PolarHBondContact NE-O 3.41Å; Q114-R117 VanDerWaalsContact CD-CD 3.46Å; Q114-R117 HydrophobicContact CG-CG 4.25Å; Q114-R117 VanDerWaalsContact CG-NE 3.32Å; Q114-R117 VanDerWaalsContact NE2-NH1 3.15Å; Q114-R117 VanDerWaalsContact OE1-CD 3.31Å; Q114-D126 WeakPolarHBondContact CG-OD1 3.32Å
115A94.8Very high93.7Very high3 Ų358.6 Ų58.63%0.02532%0.318CS..PPolyproline II helixtrans-53.1158.1162.100000110.5R117 T122 D126A115-R117 PolarHBondContact O-N 2.92Å; A115-R117 VanDerWaalsContact O-N 3.09Å; A115-T122 HydrophobicContact CB-CG2 3.54Å; A115-D126 VanDerWaalsContact CB-OD1 3.29Å; A115-D126 WeakPolarHBondContact CB-OD1 3.47Å; A115-D126 PolarHBondContact N-OD1 3.21Å
116C94.7Very high94Very high15 Ų1557.3 Ų57.310%0.10131%0.308CS..EExtended strand (participates in β ladder)trans-71.5112.7174.7174.70000109.3C97 T122 S123C97-C116 HydrophobicContact CB-CB 3.73Å; C97-C116 WeakPolarHBondContact CB-SG 3.35Å; C97-C116 PolarHBondContact N-SG 3Å; C97-C116 VanDerWaalsContact N-SG 3.36Å; C97-C116 WeakPolarHBondContact SG-CA 3.48Å; C97-C116 WeakPolarHBondContact SG-CB 3.28Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å; C116-T122 CarbonylContact O-C 3.48Å; C116-T122 VanDerWaalsContact O-CA 3.29Å; C116-T122 WeakPolarHBondContact O-CA 3.37Å; C116-S123 WeakPolarHBondContact CB-OG 3.33Å; C116-S123 PolarHBondContact N-O 2.8Å; C116-S123 PolarHBondContact O-N 2.68Å
117R93.2Very high94.1Very high32 Ų3257.4 Ų57.412%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-104.4126.4177.9-58.8-172.3-173.11763109.4V92 C93 Q114 A115 T122 D126V92-R117 HydrophobicContact CB-CB 4.34Å; V92-R117 WeakPolarHBondContact CB-O 3.41Å; V92-R117 HydrophobicContact CG1-CB 3.99Å; C93-R117 PolarHBondContact N-O 3.28Å; Q114-R117 VanDerWaalsContact CD-CD 3.46Å; Q114-R117 HydrophobicContact CG-CG 4.25Å; Q114-R117 VanDerWaalsContact CG-NE 3.32Å; Q114-R117 VanDerWaalsContact NE2-NH1 3.15Å; Q114-R117 VanDerWaalsContact OE1-CD 3.31Å; A115-R117 PolarHBondContact O-N 2.92Å; A115-R117 VanDerWaalsContact O-N 3.09Å; R117-T122 HydrophobicContact CG-CG2 4.22Å; R117-D126 IonicContact NH2-OD1 3.26Å; R117-D126 PolarHBondContact NH2-OD1 2.83Å; R117-D126 IonicContact NH2-OD2 3.57Å; R117-D126 PolarHBondContact NH2-OD2 3.36Å
118T93.8Very high94.2Very high22 Ų2255.6 Ų55.614%0.13532%0.315CS..EExtended strand (participates in β ladder)trans-130.9170.8-178.8740000111.4C93 H95 Y120 G121C93-T118 CarbonylContact O-C 3.55Å; C93-T118 WeakPolarHBondContact O-CA 3.5Å; H95-T118 WeakPolarHBondContact O-CG2 3.29Å; T118-Y120 PolarHBondContact O-N 2.59Å; T118-Y120 PolarHBondContact OG1-N 3.49Å; T118-G121 PolarHBondContact N-O 2.87Å; T118-G121 PolarHBondContact O-N 2.74Å; T118-G121 PolarHBondContact OG1-N 3.18Å; T118-G121 PolarHBondContact OG1-O 3.07Å
119R90.3Very high94.2Very high119 Ų11955.8 Ų55.845%0.44932%0.317SS..THydrogen-bonded Turntrans-58.7-26.2172.1-168.8180-171.3-172.11.7113W80 F82 C93W80-R119 HydrophobicContact CD2-CG 4.45Å; W80-R119 HydrophobicContact CG-CB 4.44Å; W80-R119 HydrophobicContact CG-CG 4.36Å; W80-R119 VanDerWaalsContact CZ3-NH1 3.32Å; F82-R119 HydrophobicContact CZ-CG 4.1Å; C93-R119 PolarHBondContact O-N 2.68Å
120Y91.9Very high94.2Very high164 Ų16454.3 Ų54.364%0.64331%0.308SS*.THydrogen-bonded Turntrans-96.3-0.9-175.7-52.4-75.4000113.6E94 H95 T118E94-Y120 WeakPolarHBondContact O-CE2 3.17Å; H95-Y120 AromaticContact ND1-CE2 3.56Å; T118-Y120 PolarHBondContact O-N 2.59Å; T118-Y120 PolarHBondContact OG1-N 3.49Å
121G91.7Very high94.2Very high35 Ų3551.1 Ų51.136%0.36130%0.295SS..EExtended strand (participates in β ladder)trans132.6-171.8179.500000113.3T118T118-G121 PolarHBondContact N-O 2.87Å; T118-G121 PolarHBondContact O-N 2.74Å; T118-G121 PolarHBondContact OG1-N 3.18Å; T118-G121 PolarHBondContact OG1-O 3.07Å
122T93.9Very high94Very high96 Ų9646.9 Ų46.959%0.58928%0.277SS*.EExtended strand (participates in β ladder)trans-108.8133.7-177.7-57.70000110.1A115 C116 R117A115-T122 HydrophobicContact CB-CG2 3.54Å; C116-T122 CarbonylContact O-C 3.48Å; C116-T122 VanDerWaalsContact O-CA 3.29Å; C116-T122 WeakPolarHBondContact O-CA 3.37Å; R117-T122 HydrophobicContact CG-CG2 4.22Å
123S93.5Very high93.9Very high70 Ų7047.2 Ų47.249%0.4928%0.28SS..EExtended strand (participates in β ladder)trans-122.2142.317361.60000111.6C116C116-S123 WeakPolarHBondContact CB-OG 3.33Å; C116-S123 PolarHBondContact N-O 2.8Å; C116-S123 PolarHBondContact O-N 2.68Å
124G92.2Very high94Very high64 Ų6447.2 Ų47.266%0.6628%0.28SS*.SBendtrans78.4-168.9-173.500000113.5
125L93.1Very high94.2Very high151 Ų15146.8 Ų46.879%0.79128%0.278SS*.  trans-115.2145.9-178.6-64.6175000110.6
126D94.9Very high94.3Very high48 Ų4846.7 Ų46.726%0.25728%0.277SS..  trans-66.9141.4168.1-76.9-20.6000108.4Q11 L69 Q114 A115 R117Q11-D126 PolarHBondContact NE2-OD2 2.9Å; L69-D126 HydrophobicContact CD1-CB 3.86Å; L69-D126 WeakPolarHBondContact CD1-OD2 3.38Å; L69-D126 HydrophobicContact CD2-CB 4.29Å; Q114-D126 WeakPolarHBondContact CG-OD1 3.32Å; A115-D126 VanDerWaalsContact CB-OD1 3.29Å; A115-D126 WeakPolarHBondContact CB-OD1 3.47Å; A115-D126 PolarHBondContact N-OD1 3.21Å; R117-D126 IonicContact NH2-OD1 3.26Å; R117-D126 PolarHBondContact NH2-OD1 2.83Å; R117-D126 IonicContact NH2-OD2 3.57Å; R117-D126 PolarHBondContact NH2-OD2 3.36Å
127G95.5Very high94.5Very high24 Ų2446 Ų4625%0.24727%0.272CS..  trans-71.1-175.7165.800000112.3L69 E111 L113 G129L69-G127 WeakPolarHBondContact CD2-O 3.08Å; E111-G127 CarbonylContact O-C 3.4Å; E111-G127 VanDerWaalsContact O-C 3.32Å; E111-G127 WeakPolarHBondContact O-CA 3.18Å; L113-G127 PolarHBondContact O-N 2.85Å; G127-G129 VanDerWaalsContact C-N 3.3Å
128S95.5Very high94.7Very high75 Ų7544.4 Ų44.452%0.52427%0.266SS..  trans-70.4-26173.854.30000113.1N67 E111N67-S128 VanDerWaalsContact CB-O 3.28Å; N67-S128 WeakPolarHBondContact CB-O 3.21Å; N67-S128 PolarHBondContact ND2-O 3.15Å; E111-S128 PolarHBondContact O-N 3.37Å; E111-S128 PolarHBondContact O-OG 2.74Å
129G94.8Very high94.9Very high7 Ų743.4 Ų43.47%0.07226%0.26CS..  trans72.2-172.6-178.300000113.6I68 E111 G127I68-G129 CarbonylContact O-C 3.5Å; I68-G129 VanDerWaalsContact O-CA 3.29Å; I68-G129 WeakPolarHBondContact O-CA 3.36Å; E111-G129 PolarHBondContact O-N 3.11Å; G127-G129 VanDerWaalsContact C-N 3.3Å
130I95.3Very high95.3Very high0 Ų037.7 Ų37.70%024%0.238CC..BIsolated β-bridgetrans-104.2152.7172.363.6177.8000109.8M26 N67 I68 F112 L136 I169M26-I130 HydrophobicContact SD-CB 4.15Å; M26-I130 HydrophobicContact SD-CG2 3.87Å; N67-I130 CarbonylContact C-O 3.5Å; N67-I130 WeakPolarHBondContact CA-O 3.28Å; N67-I130 VanDerWaalsContact CB-O 3.31Å; N67-I130 WeakPolarHBondContact CB-O 3.44Å; I68-I130 HydrophobicContact CB-CG1 3.88Å; I68-I130 PolarHBondContact N-O 3.27Å; I68-I130 PolarHBondContact O-N 2.94Å; F112-I130 HydrophobicContact CD1-CG2 3.5Å; F112-I130 VanDerWaalsContact CD1-CG2 3.5Å; F112-I130 HydrophobicContact CE1-CG2 3.84Å; F112-I130 HydrophobicContact CG-CG2 4.39Å; I130-L136 HydrophobicContact CD1-CB 4.47Å; I130-L136 HydrophobicContact CG2-CB 4.27Å; I130-L136 HydrophobicContact CG2-CD1 4.5Å; I130-I169 HydrophobicContact CD1-CB 4.3Å
131P95Very high95.5Very high27 Ų2730 Ų3018%0.17521%0.208CC..  trans-61.1161.417627.1-35000111.7N133 G134P131-N133 WeakPolarHBondContact CB-OD1 3.39Å; P131-N133 PolarHBondContact O-N 3.24Å; P131-G134 VanDerWaalsContact O-CA 3.27Å; P131-G134 WeakPolarHBondContact O-CA 3.33Å; P131-G134 PolarHBondContact O-N 3.11Å
132G92.3Very high95.7Very high6 Ų628.8 Ų28.86%0.06219%0.194CC..THydrogen-bonded Turntrans-64.3-23.8-175.200000115.7S64 G134 R167S64-G132 WeakPolarHBondContact O-CA 3.38Å; G132-G134 VanDerWaalsContact C-N 3.32Å; G132-R167 PolarHBondContact O-NH2 3.37Å
133N95.6Very high95.6Very high25 Ų2528.9 Ų28.913%0.13420%0.196CC..THydrogen-bonded Turntrans-92.910.616966.7-30.1000112.8Q21 S22 R24 V60 P63 P131Q21-N133 HydrophobicContact CB-CB 3.9Å; S22-N133 PolarHBondContact O-ND2 2.89Å; R24-N133 PolarHBondContact N-O 2.97Å; V60-N133 HydrophobicContact CB-CB 4.15Å; V60-N133 HydrophobicContact CG2-CB 4.13Å; P63-N133 HydrophobicContact CB-CB 4.01Å; P131-N133 WeakPolarHBondContact CB-OD1 3.39Å; P131-N133 PolarHBondContact O-N 3.24Å
134G97.2Very high95.3Very high0 Ų027.2 Ų27.20%019%0.19CC..EExtended strand (participates in β ladder)trans-83156-175.500000113.7R24 P131 G132 R167R24-G134 CarbonylContact O-C 3.36Å; R24-G134 VanDerWaalsContact O-CA 3.27Å; R24-G134 WeakPolarHBondContact O-CA 3.33Å; P131-G134 VanDerWaalsContact O-CA 3.27Å; P131-G134 WeakPolarHBondContact O-CA 3.33Å; P131-G134 PolarHBondContact O-N 3.11Å; G132-G134 VanDerWaalsContact C-N 3.32Å; G134-R167 PolarHBondContact O-NH1 2.93Å; G134-R167 PolarHBondContact O-NH2 2.86Å; G134-R167 VanDerWaalsContact O-NH2 3.08Å
135Y98.2Very high95Very high0 Ų027.3 Ų27.30%019%0.192CC..EExtended strand (participates in β ladder)trans-139.5124.4167.2-173.5-78.1000109.2R24 I25 M26 M137 P168 G171 A201 L202R24-Y135 PolarHBondContact O-N 2.8Å; I25-Y135 CarbonylContact C-O 3.47Å; I25-Y135 WeakPolarHBondContact CA-O 3.5Å; I25-Y135 HydrophobicContact CG2-CD1 4.19Å; M26-Y135 PolarHBondContact N-O 2.05Å; Y135-M137 HydrophobicContact CD1-CB 3.98Å; Y135-M137 HydrophobicContact CD1-CE 4.09Å; Y135-M137 HydrophobicContact CE1-CB 3.9Å; Y135-M137 HydrophobicContact CE1-CE 3.66Å; Y135-M137 HydrophobicContact CE1-CG 4.23Å; Y135-P168 WeakPolarHBondContact CD2-O 3.35Å; Y135-P168 HydrophobicContact CE2-CB 3.78Å; Y135-P168 WeakPolarHBondContact CE2-O 3.31Å; Y135-G171 VanDerWaalsContact OH-CA 3.25Å; Y135-G171 WeakPolarHBondContact OH-CA 3.19Å; Y135-G171 PolarHBondContact OH-N 3.22Å; Y135-G171 VanDerWaalsContact OH-N 3.15Å; Y135-A201 WeakPolarHBondContact OH-CB 3.38Å; Y135-A201 PolarHBondContact OH-O 3.01Å; Y135-A201 VanDerWaalsContact OH-O 3.07Å; Y135-L202 HydrophobicContact CD1-CD2 4.34Å; Y135-L202 HydrophobicContact CD2-CD2 3.72Å; Y135-L202 HydrophobicContact CE1-CD2 4.42Å; Y135-L202 HydrophobicContact CE2-CD2 3.81Å; Y135-L202 HydrophobicContact CG-CD2 4.01Å
136L98.3Very high94.6Very high0 Ų024.7 Ų24.70%018%0.178CC..EExtended strand (participates in β ladder)trans-88.2118.2175.5-170.261.5000109.2M26 V28 I70 V108 F112 I130 I138 I169 L170 G171M26-L136 HydrophobicContact CB-CD1 4.18Å; V28-L136 HydrophobicContact CG2-CD1 3.57Å; V28-L136 HydrophobicContact CG2-CG 4.49Å; I70-L136 HydrophobicContact CG1-CD2 4.19Å; V108-L136 HydrophobicContact CG1-CD2 3.9Å; F112-L136 HydrophobicContact CB-CD2 3.92Å; F112-L136 HydrophobicContact CD1-CD1 4.43Å; F112-L136 HydrophobicContact CD1-CD2 4.41Å; F112-L136 HydrophobicContact CD2-CD1 4.04Å; F112-L136 HydrophobicContact CD2-CD2 3.69Å; F112-L136 HydrophobicContact CE1-CD1 4.25Å; F112-L136 HydrophobicContact CE2-CD1 3.85Å; F112-L136 HydrophobicContact CE2-CD2 4.34Å; F112-L136 HydrophobicContact CG-CD1 4.33Å; F112-L136 HydrophobicContact CG-CD2 3.74Å; F112-L136 HydrophobicContact CZ-CD1 3.96Å; I130-L136 HydrophobicContact CD1-CB 4.47Å; I130-L136 HydrophobicContact CG2-CB 4.27Å; I130-L136 HydrophobicContact CG2-CD1 4.5Å; L136-I138 HydrophobicContact CG-CD1 4.31Å; L136-I169 PolarHBondContact N-O 2.83Å; L136-L170 HydrophobicContact CB-CD1 3.92Å; L136-L170 HydrophobicContact CD2-CD1 3.96Å; L136-L170 HydrophobicContact CG-CD1 3.92Å; L136-L170 VanDerWaalsContact O-CA 3.31Å; L136-L170 WeakPolarHBondContact O-CA 3.1Å; L136-L170 WeakPolarHBondContact O-CD1 3.31Å; L136-G171 PolarHBondContact O-N 3.29Å
137M98.3Very high94.4Very high0 Ų022.6 Ų22.60%017%0.167CC..EExtended strand (participates in β ladder)trans-116117.3-179-167173.3-77.400110.9I25 M26 P27 V28 L51 Y135 I139 G171 I173 M198 A201 L202I25-M137 HydrophobicContact CG2-CB 3.68Å; I25-M137 HydrophobicContact CG2-CE 4.21Å; I25-M137 HydrophobicContact CG2-SD 4.33Å; M26-M137 PolarHBondContact O-N 2.95Å; P27-M137 CarbonylContact C-O 3.32Å; P27-M137 WeakPolarHBondContact CA-O 3.37Å; V28-M137 PolarHBondContact N-O 2.89Å; L51-M137 HydrophobicContact CD2-SD 3.97Å; Y135-M137 HydrophobicContact CD1-CB 3.98Å; Y135-M137 HydrophobicContact CD1-CE 4.09Å; Y135-M137 HydrophobicContact CE1-CB 3.9Å; Y135-M137 HydrophobicContact CE1-CE 3.66Å; Y135-M137 HydrophobicContact CE1-CG 4.23Å; M137-I139 HydrophobicContact CB-CD1 4.21Å; M137-I139 HydrophobicContact CG-CD1 3.64Å; M137-I139 PolarHBondContact O-N 3.33Å; M137-I139 HydrophobicContact SD-CD1 3.83Å; M137-G171 WeakPolarHBondContact CA-O 3.49Å; M137-I173 HydrophobicContact SD-CG2 4.27Å; M137-M198 HydrophobicContact CE-CB 4.25Å; M137-M198 HydrophobicContact CE-CG 3.95Å; M137-M198 HydrophobicContact CE-SD 4.48Å; M137-M198 HydrophobicContact SD-CE 4Å; M137-M198 HydrophobicContact SD-CG 3.76Å; M137-M198 HydrophobicContact SD-SD 4.03Å; M137-A201 HydrophobicContact CE-CB 4.47Å; M137-L202 HydrophobicContact CE-CG 4.49Å
138I98Very high94.1Very high0 Ų025.7 Ų25.70%019%0.185CC..EExtended strand (participates in β ladder)trans-78.8122172.9-52-30.7000108.3V28 C103 M106 L136 L170 G171 F172 I173V28-I138 HydrophobicContact CB-CD1 4.22Å; C103-I138 HydrophobicContact CB-CG1 4.03Å; M106-I138 HydrophobicContact CB-CG2 3.88Å; M106-I138 HydrophobicContact CE-CB 4.02Å; M106-I138 HydrophobicContact CE-CD1 3.25Å; M106-I138 HydrophobicContact CE-CG1 3.71Å; M106-I138 HydrophobicContact CE-CG2 3.48Å; M106-I138 VanDerWaalsContact CE-CG2 3.48Å; M106-I138 HydrophobicContact SD-CG2 4.12Å; L136-I138 HydrophobicContact CG-CD1 4.31Å; I138-L170 HydrophobicContact CD1-CD1 3.91Å; I138-L170 HydrophobicContact CG1-CD1 4.13Å; I138-G171 PolarHBondContact N-O 3.41Å; I138-F172 HydrophobicContact CB-CB 3.83Å; I138-F172 HydrophobicContact CG2-CB 4.45Å; I138-F172 CarbonylContact O-C 3.37Å; I138-F172 WeakPolarHBondContact O-CA 3.4Å; I138-I173 PolarHBondContact O-N 2.91Å
139I98.3Very high93.2Very high0 Ų027.8 Ų27.80%019%0.19CC..EExtended strand (participates in β ladder)trans-106.7113.7178.5-45.4-60.3000108P27 V28 F29 A30 F33 V47 M137 I173 F175P27-I139 HydrophobicContact CB-CD1 4.36Å; P27-I139 HydrophobicContact CB-CG1 3.81Å; V28-I139 PolarHBondContact O-N 3Å; F29-I139 HydrophobicContact CD1-CB 3.73Å; F29-I139 HydrophobicContact CD1-CG1 4.13Å; F29-I139 HydrophobicContact CD1-CG2 3.93Å; F29-I139 HydrophobicContact CE1-CB 4.02Å; F29-I139 HydrophobicContact CE1-CG1 4.02Å; F29-I139 HydrophobicContact CE1-CG2 4Å; A30-I139 PolarHBondContact N-O 2.82Å; F33-I139 HydrophobicContact CD2-CG2 3.61Å; F33-I139 HydrophobicContact CE2-CG2 3.38Å; F33-I139 HydrophobicContact CG-CG2 4.31Å; F33-I139 HydrophobicContact CZ-CG2 3.97Å; V47-I139 HydrophobicContact CG1-CD1 4.2Å; V47-I139 HydrophobicContact CG1-CG1 4.32Å; V47-I139 HydrophobicContact CG1-CG2 4.28Å; V47-I139 HydrophobicContact CG2-CG2 3.89Å; M137-I139 HydrophobicContact CB-CD1 4.21Å; M137-I139 HydrophobicContact CG-CD1 3.64Å; M137-I139 PolarHBondContact O-N 3.33Å; M137-I139 HydrophobicContact SD-CD1 3.83Å; I139-I173 HydrophobicContact CD1-CG2 3.59Å; I139-I173 HydrophobicContact CG2-CG2 4.38Å; I139-F175 HydrophobicContact CG2-CE2 4.21Å
140D97.6Very high92.4Very high0 Ų028.7 Ų28.70%020%0.199CC..EExtended strand (participates in β ladder)trans-127159.9-175.7-158.86.6000112.8A30 N32 H104 T105 S142 I173 N174 F175A30-D140 HydrophobicContact CB-CB 3.9Å; A30-D140 VanDerWaalsContact CB-OD1 3.3Å; A30-D140 WeakPolarHBondContact CB-OD1 3.1Å; N32-D140 WeakPolarHBondContact CB-OD1 3.44Å; H104-D140 IonicContact CD2-OD2 3.29Å; H104-D140 PolarHBondContact CD2-OD2 3.14Å; H104-D140 VanDerWaalsContact CD2-OD2 3.29Å; H104-D140 IonicContact NE2-OD2 3.03Å; T105-D140 WeakPolarHBondContact CG2-OD2 3.19Å; T105-D140 PolarHBondContact OG1-OD2 3.4Å; D140-S142 PolarHBondContact OD1-N 2.88Å; D140-S142 PolarHBondContact OD1-OG 3.04Å; D140-S142 WeakPolarHBondContact OD2-CB 3.47Å; D140-S142 PolarHBondContact OD2-OG 2.95Å; D140-I173 PolarHBondContact N-O 3.4Å; D140-N174 HydrophobicContact CB-CB 4.47Å; D140-N174 WeakPolarHBondContact CB-OD1 3.45Å; D140-N174 WeakPolarHBondContact O-CA 3.48Å; D140-F175 PolarHBondContact O-N 3.49Å
141S96.8Very high91.9Very high2 Ų239.2 Ų39.21%0.01424%0.239CC..  trans-141.457.1169.4-166.80000109.4N36 N174 F175 P177N36-S141 PolarHBondContact ND2-OG 3.18Å; S141-N174 PolarHBondContact N-OD1 3.4Å; S141-F175 WeakPolarHBondContact CA-O 3.22Å; S141-F175 WeakPolarHBondContact CB-O 3.29Å; S141-F175 PolarHBondContact OG-O 3.06Å; S141-P177 WeakPolarHBondContact O-CG 3.29Å
142S94.6Very high91.6Very high9 Ų940.5 Ų40.56%0.06325%0.245CC..  trans-80.2131179-74.40000110.8N32 T105 D140 N174N32-S142 PolarHBondContact ND2-OG 2.76Å; T105-S142 WeakPolarHBondContact CG2-OG 3.39Å; D140-S142 PolarHBondContact OD1-N 2.88Å; D140-S142 PolarHBondContact OD1-OG 3.04Å; D140-S142 WeakPolarHBondContact OD2-CB 3.47Å; D140-S142 PolarHBondContact OD2-OG 2.95Å; S142-N174 WeakPolarHBondContact CB-OD1 3.47Å; S142-N174 PolarHBondContact N-OD1 3.13Å; S142-N174 PolarHBondContact O-ND2 2.69Å; S142-N174 VanDerWaalsContact O-ND2 3.16Å
143P92.1Very high91.7Very high98 Ų9841.3 Ų41.364%0.63625%0.247SC*.  trans-76.4168.8172.733.6-35.4000111.7P177P143-P177 HydrophobicContact CB-CG 4.28Å
144G87.9Confident91.6Very high35 Ų3540.2 Ų40.236%0.36124%0.241SC..SBendtrans82.8-172.9177.100000114.1L146 C147G144-L146 PolarHBondContact O-N 3.18Å; G144-C147 WeakPolarHBondContact O-CB 3.38Å; G144-C147 PolarHBondContact O-N 3.08Å
145G84.9Confident91.5Very high67 Ų6741.7 Ų41.769%0.69125%0.248SC*.G310 helixtrans56.5-125.5-175.500000111.6C147 S148G145-C147 PolarHBondContact O-N 2.77Å; G145-S148 VanDerWaalsContact O-CB 3.32Å; G145-S148 WeakPolarHBondContact O-CB 3.1Å; G145-S148 PolarHBondContact O-N 3Å; G145-S148 VanDerWaalsContact O-N 3.09Å; G145-S148 PolarHBondContact O-OG 2.95Å
146L86Confident91.3Very high95 Ų9542.2 Ų42.250%0.49725%0.252SS..G310 helixtrans-62.8-20.5178.1-61.7175.4000113.4G144 S148 L152 F155G144-L146 PolarHBondContact O-N 3.18Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 3.03Å; L146-L152 HydrophobicContact CB-CD2 3.53Å; L146-L152 HydrophobicContact CD1-CD2 4.47Å; L146-F155 HydrophobicContact CB-CD1 4.28Å; L146-F155 HydrophobicContact CB-CE1 4.14Å; L146-F155 HydrophobicContact CD1-CD1 4.27Å; L146-F155 HydrophobicContact CD1-CD2 4.04Å; L146-F155 HydrophobicContact CD1-CE1 4.45Å; L146-F155 HydrophobicContact CD1-CE2 4.25Å; L146-F155 HydrophobicContact CD1-CG 4.05Å; L146-F155 HydrophobicContact CD1-CZ 4.46Å
147C90.7Very high91.1Very high5 Ų543.2 Ų43.23%0.03426%0.258CS..G310 helixtrans-78-9.8176.8-62.30000113.6G144 G145 D149 C176 N178G144-C147 WeakPolarHBondContact O-CB 3.38Å; G144-C147 PolarHBondContact O-N 3.08Å; G145-C147 PolarHBondContact O-N 2.77Å; C147-D149 VanDerWaalsContact C-N 3.29Å; C147-D149 PolarHBondContact O-N 2.65Å; C147-C176 WeakPolarHBondContact CA-SG 3.31Å; C147-C176 HydrophobicContact CB-CB 3.63Å; C147-C176 WeakPolarHBondContact CB-SG 3.28Å; C147-C176 WeakPolarHBondContact SG-CA 3.37Å; C147-C176 WeakPolarHBondContact SG-CB 3.19Å; C147-C176 CovalentContact SG-SG 2.04Å; C147-C176 PolarHBondContact SG-SG 3.32Å; C147-N178 PolarHBondContact O-ND2 2.82Å
148S88.9Confident90.8Very high88 Ų8843.5 Ų43.562%0.61526%0.259SS*.G310 helixtrans-71-23.6179.3-64.40000113.2G145 L146 G150G145-S148 VanDerWaalsContact O-CB 3.32Å; G145-S148 WeakPolarHBondContact O-CB 3.1Å; G145-S148 PolarHBondContact O-N 3Å; G145-S148 VanDerWaalsContact O-N 3.09Å; G145-S148 PolarHBondContact O-OG 2.95Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 3.03Å; S148-G150 PolarHBondContact O-N 2.8Å
149D77.4Confident90.7Very high119 Ų11944 Ų4464%0.63626%0.263SS*.G310 helixtrans-71.4-10.3-178.2-66.2-18.8000113.1C147 W151C147-D149 VanDerWaalsContact C-N 3.29Å; C147-D149 PolarHBondContact O-N 2.65Å; D149-W151 PolarHBondContact O-N 3.32Å
150G77.8Confident90.4Very high26 Ų2644.2 Ų44.227%0.26826%0.264SS..SBendtrans73.8-18177.200000115.1S148 R179S148-G150 PolarHBondContact O-N 2.8Å; G150-R179 WeakPolarHBondContact O-CD 3.4Å; G150-R179 PolarHBondContact O-NH1 3Å
151W83.5Confident90.2Very high221 Ų22144.2 Ų44.284%0.83726%0.264SS*.  trans-93.9-23.8-177.4-61.9105.5000114.6D149 R179D149-W151 PolarHBondContact O-N 3.32Å; W151-R179 PolarHBondContact O-NH1 2.81Å
152L90.2Very high89.9Confident55 Ų5544.2 Ų44.229%0.28826%0.264SS..  trans-76.9130.2-177.9-170.264.1000111.8L146 A154 F155 C176 R179L146-L152 HydrophobicContact CB-CD2 3.53Å; L146-L152 HydrophobicContact CD1-CD2 4.47Å; L152-A154 VanDerWaalsContact CD1-O 3.25Å; L152-A154 WeakPolarHBondContact CD1-O 3.32Å; L152-F155 HydrophobicContact CD2-CB 4.2Å; L152-F155 HydrophobicContact CD2-CD1 3.62Å; L152-F155 HydrophobicContact CD2-CE1 4.42Å; L152-F155 HydrophobicContact CD2-CG 4.27Å; L152-C176 VanDerWaalsContact O-CB 3.31Å; L152-C176 WeakPolarHBondContact O-CB 3.26Å; L152-C176 PolarHBondContact O-SG 3.26Å; L152-R179 WeakPolarHBondContact O-CG 3.46Å
153I92.7Very high89.1Confident23 Ų2344.6 Ų44.612%0.11827%0.265CS..  trans-89.3-48.2179-64.1175.9000110.6C176 R179 M186 V189 L190 T193I153-C176 WeakPolarHBondContact O-CB 3.44Å; I153-C176 PolarHBondContact O-N 2.8Å; I153-R179 HydrophobicContact CG1-CB 4.35Å; I153-M186 HydrophobicContact CD1-CE 4.26Å; I153-V189 HydrophobicContact CD1-CG1 3.81Å; I153-L190 HydrophobicContact CG2-CD1 3.44Å; I153-L190 VanDerWaalsContact CG2-CD1 3.44Å; I153-T193 HydrophobicContact CB-CG2 4.04Å; I153-T193 HydrophobicContact CG2-CG2 3.9Å
154A94.7Very high88.5Confident1 Ų142.2 Ų42.21%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-154.1167.617700000109.8L152 N174 F175 T193 E197L152-A154 VanDerWaalsContact CD1-O 3.25Å; L152-A154 WeakPolarHBondContact CD1-O 3.32Å; A154-N174 CarbonylContact C-O 3.56Å; A154-N174 WeakPolarHBondContact CA-O 3.4Å; A154-N174 WeakPolarHBondContact CB-O 3.4Å; A154-F175 HydrophobicContact CB-CD1 3.89Å; A154-F175 HydrophobicContact CB-CE1 4.29Å; A154-F175 HydrophobicContact CB-CG 4.46Å; A154-T193 HydrophobicContact CB-CG2 4.03Å; A154-E197 HydrophobicContact CB-CG 3.9Å
155F93.8Very high88.5Confident32 Ų3241.6 Ų41.614%0.1424%0.236CC..EExtended strand (participates in β ladder)trans-149.8151.7170.559.8-85.1000110.7H104 L146 L152 F172 N174 E197H104-F155 AromaticContact CE1-CE2 3.83Å; H104-F155 AromaticContact CE1-CZ 3.74Å; L146-F155 HydrophobicContact CB-CD1 4.28Å; L146-F155 HydrophobicContact CB-CE1 4.14Å; L146-F155 HydrophobicContact CD1-CD1 4.27Å; L146-F155 HydrophobicContact CD1-CD2 4.04Å; L146-F155 HydrophobicContact CD1-CE1 4.45Å; L146-F155 HydrophobicContact CD1-CE2 4.25Å; L146-F155 HydrophobicContact CD1-CG 4.05Å; L146-F155 HydrophobicContact CD1-CZ 4.46Å; L152-F155 HydrophobicContact CD2-CB 4.2Å; L152-F155 HydrophobicContact CD2-CD1 3.62Å; L152-F155 HydrophobicContact CD2-CE1 4.42Å; L152-F155 HydrophobicContact CD2-CG 4.27Å; F155-F172 AromaticContact CD2-CE2 3.63Å; F155-F172 HydrophobicContact CD2-CE2 3.63Å; F155-F172 HydrophobicContact CD2-CZ 4.13Å; F155-F172 AromaticContact CE2-CE2 3.52Å; F155-F172 HydrophobicContact CE2-CE2 3.52Å; F155-F172 HydrophobicContact CE2-CZ 4.06Å; F155-N174 HydrophobicContact CD1-CB 4.3Å; F155-N174 HydrophobicContact CD2-CB 4.41Å; F155-N174 HydrophobicContact CE1-CB 3.81Å; F155-N174 WeakPolarHBondContact CE1-ND2 3.19Å; F155-N174 HydrophobicContact CE2-CB 3.91Å; F155-N174 HydrophobicContact CZ-CB 3.58Å; F155-N174 WeakPolarHBondContact CZ-ND2 3.08Å; F155-N174 PolarHBondContact N-O 2.84Å; F155-N174 PolarHBondContact O-N 2.96Å; F155-E197 VanDerWaalsContact CA-OE2 3.24Å; F155-E197 WeakPolarHBondContact CA-OE2 3.36Å
156A94.8Very high88.9Confident10 Ų1038.6 Ų38.68%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-143.7159.1-179.800000114F172 I173 E197 A201A156-F172 WeakPolarHBondContact CA-O 3.1Å; A156-F172 WeakPolarHBondContact CB-O 3.46Å; A156-I173 HydrophobicContact CB-CB 4.11Å; A156-I173 HydrophobicContact CB-CG1 4.31Å; A156-E197 HydrophobicContact CB-CB 3.68Å; A156-E197 WeakPolarHBondContact CB-O 3.4Å; A156-E197 PolarHBondContact N-OE2 2.86Å; A156-A201 HydrophobicContact CB-CB 4.32Å
157N93.2Very high89.3Confident22 Ų2234.2 Ų34.212%0.11818%0.181CC..EExtended strand (participates in β ladder)trans-157.6164.2174.1-139.4-54.6000112G171 F172 N205N157-G171 CarbonylContact O-C 3.59Å; N157-G171 WeakPolarHBondContact O-CA 3.41Å; N157-F172 HydrophobicContact CB-CD1 4.41Å; N157-F172 HydrophobicContact CB-CE1 3.65Å; N157-F172 HydrophobicContact CB-CZ 3.96Å; N157-F172 PolarHBondContact N-O 3.18Å; N157-F172 PolarHBondContact O-N 2.85Å; N157-N205 PolarHBondContact OD1-ND2 2.89Å
158A93.7Very high89.6Confident5 Ų534 Ų344%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-85.8140166.600000110I4 P168 L208I4-A158 HydrophobicContact CD1-CB 4.12Å; A158-P168 HydrophobicContact CB-CB 4.29Å; A158-L208 HydrophobicContact CB-CD1 4.14Å; A158-L208 HydrophobicContact CB-CD2 4.19Å
159C94.2Very high90Very high12 Ų1229.8 Ų29.88%0.08115%0.15CC..EExtended strand (participates in β ladder)trans-103.9-41.4176-63.70000111.5T5 C103 L170T5-C159 PolarHBondContact N-O 3.17Å; T5-C159 PolarHBondContact OG1-O 3.19Å; C103-C159 WeakPolarHBondContact CA-SG 3.44Å; C103-C159 HydrophobicContact CB-CB 3.78Å; C103-C159 WeakPolarHBondContact CB-SG 3.4Å; C103-C159 WeakPolarHBondContact SG-CB 3.44Å; C103-C159 CovalentContact SG-SG 2.05Å; C103-C159 PolarHBondContact SG-SG 3.5Å; C159-L170 HydrophobicContact CB-CD2 4.06Å; C159-L170 HydrophobicContact CB-CG 3.94Å; C159-L170 PolarHBondContact N-O 3.05Å
160Q93.4Very high90.9Very high3 Ų324.1 Ų24.11%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-137.2144.6-179.3-65.7-168.615.600115.3T5 K71 S101 I169 L170T5-Q160 VanDerWaalsContact O-CA 3.23Å; T5-Q160 WeakPolarHBondContact O-CA 3.38Å; T5-Q160 WeakPolarHBondContact OG1-CG 3.33Å; K71-Q160 PolarHBondContact O-NE2 3.49Å; S101-Q160 PolarHBondContact OG-NE2 2.97Å; Q160-I169 HydrophobicContact CB-CG1 4.38Å; Q160-I169 WeakPolarHBondContact O-CG1 3.45Å; Q160-I169 PolarHBondContact O-N 3.19Å; Q160-L170 HydrophobicContact CB-CB 4.06Å; Q160-L170 HydrophobicContact CB-CD2 4.41Å; Q160-L170 HydrophobicContact CG-CD2 4.18Å; Q160-L170 PolarHBondContact N-O 2.95Å; Q160-L170 VanDerWaalsContact N-O 3.08Å; Q160-L170 PolarHBondContact O-N 3.46Å
161L92.5Very high91.9Very high0 Ų022.9 Ų22.90%011%0.107CC..EExtended strand (participates in β ladder)trans-106.3147.2175-49.3-176.1000112.2I4 T5 G7 D166 R167 P168 L208 F211I4-L161 HydrophobicContact CG2-CD1 4.04Å; I4-L161 HydrophobicContact CG2-CD2 4Å; I4-L161 HydrophobicContact CG2-CG 3.74Å; T5-L161 PolarHBondContact O-N 3.21Å; G7-L161 CarbonylContact C-O 3.59Å; G7-L161 VanDerWaalsContact C-O 3.23Å; G7-L161 WeakPolarHBondContact CA-O 3.12Å; G7-L161 PolarHBondContact N-O 3.35Å; L161-D166 HydrophobicContact CD1-CB 4.49Å; L161-R167 CarbonylContact C-O 3.56Å; L161-R167 WeakPolarHBondContact CA-O 3.36Å; L161-P168 HydrophobicContact CD2-CB 4.24Å; L161-P168 HydrophobicContact CD2-CG 3.93Å; L161-L208 HydrophobicContact CD1-CD2 4.44Å; L161-L208 HydrophobicContact CD2-CD2 3.49Å; L161-L208 VanDerWaalsContact CD2-CD2 3.49Å; L161-F211 HydrophobicContact CD1-CB 4.15Å; L161-F211 HydrophobicContact CD1-CD1 3.78Å; L161-F211 HydrophobicContact CD1-CD2 3.88Å; L161-F211 HydrophobicContact CD1-CE1 4.13Å; L161-F211 HydrophobicContact CD1-CE2 4.21Å; L161-F211 HydrophobicContact CD1-CG 3.64Å; L161-F211 HydrophobicContact CD1-CZ 4.33Å
162E90.1Very high92.5Very high2 Ų213 Ų131%0.0097%0.07CC..  trans-67.1131.1167.9179.1176.4-151.200110.1N164 T165 D166 R167 I169E162-N164 PolarHBondContact O-N 2.61Å; E162-T165 WeakPolarHBondContact CB-OG1 3.5Å; E162-T165 VanDerWaalsContact CD-OG1 3.3Å; E162-T165 WeakPolarHBondContact CG-OG1 3.23Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.39Å; E162-T165 PolarHBondContact OE2-OG1 2.77Å; E162-D166 WeakPolarHBondContact O-CA 3.09Å; E162-D166 PolarHBondContact O-N 3.22Å; E162-R167 PolarHBondContact N-O 3.42Å; E162-R167 IonicContact OE2-NE 3.11Å; E162-I169 HydrophobicContact CB-CD1 4.39Å; E162-I169 HydrophobicContact CB-CG2 3.76Å
163Q79.4Confident92.9Very high18 Ų1810.3 Ų10.38%0.0846%0.056CC..THydrogen-bonded Turntrans-60.8-37.8-170.7-177.4179.5-30.400115.2G8 V89 D90G8-Q163 VanDerWaalsContact O-CB 3.24Å; G8-Q163 WeakPolarHBondContact O-CB 3.48Å; G8-Q163 PolarHBondContact O-N 3.08Å; V89-Q163 PolarHBondContact O-NE2 2.93Å; V89-Q163 VanDerWaalsContact O-NE2 3.13Å; D90-Q163 VanDerWaalsContact CG-NE2 3.34Å; D90-Q163 VanDerWaalsContact OD1-CD 3.3Å; D90-Q163 PolarHBondContact OD1-NE2 2.96Å; D90-Q163 PolarHBondContact OD1-OE1 2.6Å
164N79Confident93.1Very high47 Ų479.3 Ų9.325%0.2515%0.05SC..THydrogen-bonded Turntrans-89.9-25.2-173.5-69.9-33.1000113.4E162 R213E162-N164 PolarHBondContact O-N 2.61Å; N164-R213 VanDerWaalsContact O-CZ 3.31Å; N164-R213 PolarHBondContact O-NH1 3.38Å; N164-R213 PolarHBondContact O-NH2 2.75Å
165T88.5Confident93.2Very high22 Ų229.2 Ų9.214%0.1355%0.05CC..THydrogen-bonded Turntrans-112.6-10.7-17366.30000112.3E162 R167 R213 W337E162-T165 WeakPolarHBondContact CB-OG1 3.5Å; E162-T165 VanDerWaalsContact CD-OG1 3.3Å; E162-T165 WeakPolarHBondContact CG-OG1 3.23Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.39Å; E162-T165 PolarHBondContact OE2-OG1 2.77Å; T165-R167 PolarHBondContact O-N 2.96Å; T165-R167 VanDerWaalsContact O-N 3.07Å; T165-R167 VanDerWaalsContact OG1-CB 3.29Å; T165-R167 WeakPolarHBondContact OG1-CB 3.15Å; T165-R167 PolarHBondContact OG1-N 2.79Å; T165-R213 VanDerWaalsContact C-NE 3.28Å; T165-R213 WeakPolarHBondContact O-CD 3.32Å; T165-R213 PolarHBondContact O-NE 2.94Å; T165-W337 PolarHBondContact O-NE1 3.12Å
166D92Very high93.4Very high4 Ų47.7 Ų7.72%0.0214%0.043CC..  trans55.210.8-167.7-49.5-51.8000114.9H6 L161 E162 F211 R213 R223 W337H6-D166 IonicContact CE1-OD1 2.76Å; H6-D166 PolarHBondContact CE1-OD1 3.22Å; H6-D166 VanDerWaalsContact CE1-OD1 3.26Å; H6-D166 IonicContact ND1-OD1 2.78Å; L161-D166 HydrophobicContact CD1-CB 4.49Å; E162-D166 WeakPolarHBondContact O-CA 3.09Å; E162-D166 PolarHBondContact O-N 3.22Å; D166-F211 HydrophobicContact CB-CB 3.86Å; D166-F211 HydrophobicContact CB-CD1 4.04Å; D166-F211 HydrophobicContact CB-CG 4.37Å; D166-R213 VanDerWaalsContact CG-NH2 3.32Å; D166-R213 IonicContact OD1-NH2 3.68Å; D166-R213 IonicContact OD2-CZ 3.29Å; D166-R213 IonicContact OD2-NE 3.81Å; D166-R213 PolarHBondContact OD2-NE 2.71Å; D166-R213 IonicContact OD2-NH2 3.79Å; D166-R213 PolarHBondContact OD2-NH2 2.77Å; D166-R223 IonicContact OD2-CZ 3.55Å; D166-R223 IonicContact OD2-NE 2.72Å; D166-R223 IonicContact OD2-NH2 3.56Å; D166-R223 PolarHBondContact OD2-NH2 2.61Å; D166-W337 HydrophobicContact CB-CZ2 4.4Å; D166-W337 WeakPolarHBondContact O-CZ2 3.31Å
167R95.2Very high93.4Very high3 Ų39.4 Ų9.41%0.0115%0.053CC..  trans-67.1133.6-178.4-178.4179.966.186.9-14.1110.1G132 G134 L161 E162 T165 I169 W337G132-R167 PolarHBondContact O-NH2 3.37Å; G134-R167 PolarHBondContact O-NH1 2.93Å; G134-R167 PolarHBondContact O-NH2 2.86Å; G134-R167 VanDerWaalsContact O-NH2 3.08Å; L161-R167 CarbonylContact C-O 3.56Å; L161-R167 WeakPolarHBondContact CA-O 3.36Å; E162-R167 PolarHBondContact N-O 3.42Å; E162-R167 IonicContact OE2-NE 3.11Å; T165-R167 PolarHBondContact O-N 2.96Å; T165-R167 VanDerWaalsContact O-N 3.07Å; T165-R167 VanDerWaalsContact OG1-CB 3.29Å; T165-R167 WeakPolarHBondContact OG1-CB 3.15Å; T165-R167 PolarHBondContact OG1-N 2.79Å; R167-I169 PolarHBondContact O-N 3.31Å; R167-W337 HydrophobicContact CB-CB 4.25Å; R167-W337 HydrophobicContact CB-CD2 4.34Å; R167-W337 HydrophobicContact CB-CG 3.88Å; R167-W337 HydrophobicContact CG-CB 3.9Å; R167-W337 HydrophobicContact CG-CD2 4.41Å; R167-W337 HydrophobicContact CG-CG 3.97Å
168P97Very high93.3Very high0 Ų012.7 Ų12.70%07%0.071CC..EExtended strand (participates in β ladder)trans-55.4129.4168.1-27.237000111.6Y135 A158 L161 L208 W337Y135-P168 WeakPolarHBondContact CD2-O 3.35Å; Y135-P168 HydrophobicContact CE2-CB 3.78Å; Y135-P168 WeakPolarHBondContact CE2-O 3.31Å; A158-P168 HydrophobicContact CB-CB 4.29Å; L161-P168 HydrophobicContact CD2-CB 4.24Å; L161-P168 HydrophobicContact CD2-CG 3.93Å; P168-L208 HydrophobicContact CG-CD1 3.55Å; P168-L208 HydrophobicContact CG-CD2 3.93Å; P168-L208 HydrophobicContact CG-CG 4.4Å; P168-W337 VanDerWaalsContact CD-CE3 3.43Å; P168-W337 HydrophobicContact CG-CE3 4.22Å; P168-W337 HydrophobicContact CG-CH2 4.02Å; P168-W337 HydrophobicContact CG-CZ3 3.72Å
169I96.6Very high93.2Very high0 Ų015.4 Ų15.40%08%0.08CC..EExtended strand (participates in β ladder)trans-126.6-16-17953.5169.7000113.3I68 I70 I130 L136 Q160 E162 R167I68-I169 HydrophobicContact CD1-CG2 4.1Å; I68-I169 HydrophobicContact CG2-CD1 3.49Å; I68-I169 VanDerWaalsContact CG2-CD1 3.49Å; I68-I169 HydrophobicContact CG2-CG2 4.39Å; I70-I169 HydrophobicContact CD1-CD1 3.94Å; I70-I169 HydrophobicContact CD1-CG1 4.26Å; I130-I169 HydrophobicContact CD1-CB 4.3Å; L136-I169 PolarHBondContact N-O 2.83Å; Q160-I169 HydrophobicContact CB-CG1 4.38Å; Q160-I169 WeakPolarHBondContact O-CG1 3.45Å; Q160-I169 PolarHBondContact O-N 3.19Å; E162-I169 HydrophobicContact CB-CD1 4.39Å; E162-I169 HydrophobicContact CB-CG2 3.76Å; R167-I169 PolarHBondContact O-N 3.31Å
170L97.4Very high93.2Very high0 Ų015.3 Ų15.30%08%0.079CC..EExtended strand (participates in β ladder)trans-141.8132.9176172.864.6000108.4I70 C103 V108 L136 I138 C159 Q160I70-L170 HydrophobicContact CD1-CB 3.99Å; I70-L170 HydrophobicContact CD1-CD2 4.49Å; I70-L170 HydrophobicContact CG2-CD2 3.72Å; C103-L170 HydrophobicContact CB-CD1 4.22Å; C103-L170 HydrophobicContact CB-CD2 3.97Å; C103-L170 HydrophobicContact CB-CG 4.12Å; V108-L170 HydrophobicContact CG2-CD1 4.36Å; V108-L170 HydrophobicContact CG2-CD2 3.7Å; L136-L170 HydrophobicContact CB-CD1 3.92Å; L136-L170 HydrophobicContact CD2-CD1 3.96Å; L136-L170 HydrophobicContact CG-CD1 3.92Å; L136-L170 VanDerWaalsContact O-CA 3.31Å; L136-L170 WeakPolarHBondContact O-CA 3.1Å; L136-L170 WeakPolarHBondContact O-CD1 3.31Å; I138-L170 HydrophobicContact CD1-CD1 3.91Å; I138-L170 HydrophobicContact CG1-CD1 4.13Å; C159-L170 HydrophobicContact CB-CD2 4.06Å; C159-L170 HydrophobicContact CB-CG 3.94Å; C159-L170 PolarHBondContact N-O 3.05Å; Q160-L170 HydrophobicContact CB-CB 4.06Å; Q160-L170 HydrophobicContact CB-CD2 4.41Å; Q160-L170 HydrophobicContact CG-CD2 4.18Å; Q160-L170 PolarHBondContact N-O 2.95Å; Q160-L170 VanDerWaalsContact N-O 3.08Å; Q160-L170 PolarHBondContact O-N 3.46Å
171G97.5Very high93.2Very high0 Ų017.6 Ų17.60%09%0.091CC..EExtended strand (participates in β ladder)trans-160.9-174.2169.100000110.6C103 Y135 L136 M137 I138 N157C103-G171 VanDerWaalsContact SG-C 3.57Å; Y135-G171 VanDerWaalsContact OH-CA 3.25Å; Y135-G171 WeakPolarHBondContact OH-CA 3.19Å; Y135-G171 PolarHBondContact OH-N 3.22Å; Y135-G171 VanDerWaalsContact OH-N 3.15Å; L136-G171 PolarHBondContact O-N 3.29Å; M137-G171 WeakPolarHBondContact CA-O 3.49Å; I138-G171 PolarHBondContact N-O 3.41Å; N157-G171 CarbonylContact O-C 3.59Å; N157-G171 WeakPolarHBondContact O-CA 3.41Å
172F97.5Very high93.3Very high13 Ų1321.4 Ų21.46%0.05711%0.109CC..EExtended strand (participates in β ladder)trans-136.8159.5-178.172.7-89.2000111.3H104 I138 F155 A156 N157 N174H104-F172 HydrophobicContact CB-CB 4.01Å; H104-F172 HydrophobicContact CB-CD1 3.79Å; H104-F172 HydrophobicContact CB-CD2 3.76Å; H104-F172 HydrophobicContact CB-CE1 4.15Å; H104-F172 HydrophobicContact CB-CE2 4.16Å; H104-F172 HydrophobicContact CB-CG 3.57Å; H104-F172 HydrophobicContact CB-CZ 4.33Å; H104-F172 AromaticContact CG-CD2 3.81Å; H104-F172 AromaticContact CG-CE2 3.94Å; H104-F172 AromaticContact ND1-CE2 3.96Å; I138-F172 HydrophobicContact CB-CB 3.83Å; I138-F172 HydrophobicContact CG2-CB 4.45Å; I138-F172 CarbonylContact O-C 3.37Å; I138-F172 WeakPolarHBondContact O-CA 3.4Å; F155-F172 AromaticContact CD2-CE2 3.63Å; F155-F172 HydrophobicContact CD2-CE2 3.63Å; F155-F172 HydrophobicContact CD2-CZ 4.13Å; F155-F172 AromaticContact CE2-CE2 3.52Å; F155-F172 HydrophobicContact CE2-CE2 3.52Å; F155-F172 HydrophobicContact CE2-CZ 4.06Å; A156-F172 WeakPolarHBondContact CA-O 3.1Å; A156-F172 WeakPolarHBondContact CB-O 3.46Å; N157-F172 HydrophobicContact CB-CD1 4.41Å; N157-F172 HydrophobicContact CB-CE1 3.65Å; N157-F172 HydrophobicContact CB-CZ 3.96Å; N157-F172 PolarHBondContact N-O 3.18Å; N157-F172 PolarHBondContact O-N 2.85Å; F172-N174 HydrophobicContact CD2-CB 4.38Å; F172-N174 HydrophobicContact CE2-CB 4.46Å
173I97.7Very high93.4Very high0 Ų026.8 Ų26.80%013%0.134CC..EExtended strand (participates in β ladder)trans-128.7132.5160.5-179171.6000108M137 I138 I139 D140 A156 F175 A194 E197 M198M137-I173 HydrophobicContact SD-CG2 4.27Å; I138-I173 PolarHBondContact O-N 2.91Å; I139-I173 HydrophobicContact CD1-CG2 3.59Å; I139-I173 HydrophobicContact CG2-CG2 4.38Å; D140-I173 PolarHBondContact N-O 3.4Å; A156-I173 HydrophobicContact CB-CB 4.11Å; A156-I173 HydrophobicContact CB-CG1 4.31Å; I173-F175 HydrophobicContact CD1-CE1 4.11Å; I173-F175 HydrophobicContact CD1-CE2 3.91Å; I173-F175 HydrophobicContact CD1-CZ 3.57Å; I173-F175 HydrophobicContact CG1-CD2 4.49Å; I173-F175 HydrophobicContact CG1-CE2 4.05Å; I173-F175 HydrophobicContact CG1-CZ 4.18Å; I173-F175 HydrophobicContact CG2-CE2 4.17Å; I173-A194 HydrophobicContact CD1-CB 4.34Å; I173-E197 HydrophobicContact CD1-CB 3.62Å; I173-E197 HydrophobicContact CD1-CG 4.44Å; I173-E197 HydrophobicContact CG1-CB 4.05Å; I173-M198 HydrophobicContact CD1-CE 4.45Å; I173-M198 HydrophobicContact CD1-CG 4.24Å; I173-M198 HydrophobicContact CG2-CE 4.35Å
174N97.4Very high94Very high1 Ų126.6 Ų26.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-117.4124.1175.1-174.573.4000110.5H104 D140 S141 S142 A154 F155 F172H104-N174 PolarHBondContact NE2-OD1 3.45Å; D140-N174 HydrophobicContact CB-CB 4.47Å; D140-N174 WeakPolarHBondContact CB-OD1 3.45Å; D140-N174 WeakPolarHBondContact O-CA 3.48Å; S141-N174 PolarHBondContact N-OD1 3.4Å; S142-N174 WeakPolarHBondContact CB-OD1 3.47Å; S142-N174 PolarHBondContact N-OD1 3.13Å; S142-N174 PolarHBondContact O-ND2 2.69Å; S142-N174 VanDerWaalsContact O-ND2 3.16Å; A154-N174 CarbonylContact C-O 3.56Å; A154-N174 WeakPolarHBondContact CA-O 3.4Å; A154-N174 WeakPolarHBondContact CB-O 3.4Å; F155-N174 HydrophobicContact CD1-CB 4.3Å; F155-N174 HydrophobicContact CD2-CB 4.41Å; F155-N174 HydrophobicContact CE1-CB 3.81Å; F155-N174 WeakPolarHBondContact CE1-ND2 3.19Å; F155-N174 HydrophobicContact CE2-CB 3.91Å; F155-N174 HydrophobicContact CZ-CB 3.58Å; F155-N174 WeakPolarHBondContact CZ-ND2 3.08Å; F155-N174 PolarHBondContact N-O 2.84Å; F155-N174 PolarHBondContact O-N 2.96Å; F172-N174 HydrophobicContact CD2-CB 4.38Å; F172-N174 HydrophobicContact CE2-CB 4.46Å
175F97.5Very high94.7Very high0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-94.1126.4175.6-66.2-86.7000111.3F33 L42 I46 V47 I139 D140 S141 A154 I173 P177 L180 L190 A194F33-F175 HydrophobicContact CE2-CD2 4.15Å; F33-F175 HydrophobicContact CE2-CE2 4.37Å; L42-F175 HydrophobicContact CD1-CD1 3.77Å; L42-F175 HydrophobicContact CD1-CD2 4.17Å; L42-F175 HydrophobicContact CD1-CE1 3.86Å; L42-F175 HydrophobicContact CD1-CE2 4.26Å; L42-F175 HydrophobicContact CD1-CG 3.92Å; L42-F175 HydrophobicContact CD1-CZ 4.1Å; L42-F175 HydrophobicContact CD2-CB 4Å; L42-F175 HydrophobicContact CD2-CD2 3.92Å; L42-F175 HydrophobicContact CD2-CG 3.93Å; L42-F175 HydrophobicContact CG-CD2 4.29Å; L42-F175 HydrophobicContact CG-CE2 4.48Å; L42-F175 HydrophobicContact CG-CG 4.4Å; I46-F175 HydrophobicContact CG2-CE1 3.92Å; I46-F175 HydrophobicContact CG2-CZ 4.08Å; V47-F175 HydrophobicContact CG2-CE2 3.57Å; V47-F175 HydrophobicContact CG2-CZ 3.75Å; I139-F175 HydrophobicContact CG2-CE2 4.21Å; D140-F175 PolarHBondContact O-N 3.49Å; S141-F175 WeakPolarHBondContact CA-O 3.22Å; S141-F175 WeakPolarHBondContact CB-O 3.29Å; S141-F175 PolarHBondContact OG-O 3.06Å; A154-F175 HydrophobicContact CB-CD1 3.89Å; A154-F175 HydrophobicContact CB-CE1 4.29Å; A154-F175 HydrophobicContact CB-CG 4.46Å; I173-F175 HydrophobicContact CD1-CE1 4.11Å; I173-F175 HydrophobicContact CD1-CE2 3.91Å; I173-F175 HydrophobicContact CD1-CZ 3.57Å; I173-F175 HydrophobicContact CG1-CD2 4.49Å; I173-F175 HydrophobicContact CG1-CE2 4.05Å; I173-F175 HydrophobicContact CG1-CZ 4.18Å; I173-F175 HydrophobicContact CG2-CE2 4.17Å; F175-P177 VanDerWaalsContact O-CD 3.25Å; F175-P177 WeakPolarHBondContact O-CD 3.27Å; F175-L180 HydrophobicContact CB-CD2 4.09Å; F175-L180 HydrophobicContact CD1-CD2 4.43Å; F175-L190 HydrophobicContact CD1-CD1 3.94Å; F175-L190 HydrophobicContact CE1-CD1 4.12Å; F175-A194 HydrophobicContact CE1-CB 3.89Å; F175-A194 HydrophobicContact CZ-CB 3.85Å
176C96Very high94.9Very high0 Ų026.6 Ų26.60%013%0.132CC..  trans-73115.2179.2-66.80000111C147 L152 I153 N178 R179C147-C176 WeakPolarHBondContact CA-SG 3.31Å; C147-C176 HydrophobicContact CB-CB 3.63Å; C147-C176 WeakPolarHBondContact CB-SG 3.28Å; C147-C176 WeakPolarHBondContact SG-CA 3.37Å; C147-C176 WeakPolarHBondContact SG-CB 3.19Å; C147-C176 CovalentContact SG-SG 2.04Å; C147-C176 PolarHBondContact SG-SG 3.32Å; L152-C176 VanDerWaalsContact O-CB 3.31Å; L152-C176 WeakPolarHBondContact O-CB 3.26Å; L152-C176 PolarHBondContact O-SG 3.26Å; I153-C176 WeakPolarHBondContact O-CB 3.44Å; I153-C176 PolarHBondContact O-N 2.8Å; C176-N178 WeakPolarHBondContact CB-OD1 3.44Å; C176-N178 PolarHBondContact O-N 2.92Å; C176-N178 VanDerWaalsContact O-N 3.13Å; C176-R179 PolarHBondContact O-N 3.38Å
177P94.7Very high95Very high45 Ų4527.7 Ų27.729%0.29214%0.139SC..G310 helixtrans-59.5-31.6-170.6-26.434.6000114.6S141 P143 F175 R179S141-P177 WeakPolarHBondContact O-CG 3.29Å; P143-P177 HydrophobicContact CB-CG 4.28Å; F175-P177 VanDerWaalsContact O-CD 3.25Å; F175-P177 WeakPolarHBondContact O-CD 3.27Å; P177-R179 PolarHBondContact O-N 3.37Å
178N91.9Very high94.9Very high92 Ų9229.6 Ų29.649%0.49215%0.148SC..G310 helixtrans-70.6-10.1179.656.8-19.3000114C147 C176C147-N178 PolarHBondContact O-ND2 2.82Å; C176-N178 WeakPolarHBondContact CB-OD1 3.44Å; C176-N178 PolarHBondContact O-N 2.92Å; C176-N178 VanDerWaalsContact O-N 3.13Å
179R91.7Very high94.8Very high62 Ų6230.5 Ų30.523%0.23415%0.153CC..G310 helixtrans-118.55.2-175.5-62.9-54.2-59.6-65.3-8114.8G150 W151 L152 I153 C176 P177 D181G150-R179 WeakPolarHBondContact O-CD 3.4Å; G150-R179 PolarHBondContact O-NH1 3Å; W151-R179 PolarHBondContact O-NH1 2.81Å; L152-R179 WeakPolarHBondContact O-CG 3.46Å; I153-R179 HydrophobicContact CG1-CB 4.35Å; C176-R179 PolarHBondContact O-N 3.38Å; P177-R179 PolarHBondContact O-N 3.37Å; R179-D181 PolarHBondContact O-N 2.84Å
180L94.2Very high94.8Very high9 Ų930.6 Ų30.65%0.04715%0.154CC..  trans-73.8119173.6-60.7-178.2000109.8N36 K38 L42 F175 L190N36-L180 WeakPolarHBondContact ND2-CD1 3.29Å; K38-L180 HydrophobicContact CB-CD1 4.41Å; K38-L180 HydrophobicContact CD-CB 3.81Å; K38-L180 PolarHBondContact NZ-O 2.84Å; L42-L180 HydrophobicContact CD1-CD2 3.94Å; L42-L180 HydrophobicContact CD2-CD1 4Å; L42-L180 HydrophobicContact CD2-CD2 4.25Å; F175-L180 HydrophobicContact CB-CD2 4.09Å; F175-L180 HydrophobicContact CD1-CD2 4.43Å; L180-L190 HydrophobicContact CD2-CD1 4.06Å; L180-L190 HydrophobicContact CD2-CD2 3.93Å
181D93Very high94.7Very high51 Ų5132.1 Ų32.127%0.27316%0.162SC..  trans-133.7128.7172-173.14.6000109.6R179 H183 M186R179-D181 PolarHBondContact O-N 2.84Å; D181-H183 VanDerWaalsContact C-N 3.32Å; D181-H183 IonicContact OD1-CE1 2.72Å; D181-H183 IonicContact OD1-CG 2.87Å; D181-H183 PolarHBondContact OD1-N 3.31Å; D181-H183 IonicContact OD1-ND1 3.74Å; D181-H183 PolarHBondContact OD1-ND1 3.44Å; D181-M186 HydrophobicContact CB-CB 3.66Å; D181-M186 HydrophobicContact CB-CG 4.3Å
182E94.3Very high94.6Very high81 Ų8134 Ų3438%0.37917%0.169SC..  trans-87.1-11.8-174.6-48.5-176.1-55.900111K38 F41 S187K38-E182 HydrophobicContact CD-CG 3.92Å; K38-E182 HydrophobicContact CG-CG 4.44Å; F41-E182 HydrophobicContact CB-CG 4.24Å; F41-E182 WeakPolarHBondContact CB-OE2 3.29Å; F41-E182 HydrophobicContact CD1-CB 4.23Å; F41-E182 HydrophobicContact CD1-CG 3.57Å; F41-E182 HydrophobicContact CD2-CB 4.16Å; F41-E182 HydrophobicContact CD2-CG 4.23Å; F41-E182 HydrophobicContact CE1-CB 4.19Å; F41-E182 HydrophobicContact CE1-CG 3.87Å; F41-E182 HydrophobicContact CE2-CB 4.15Å; F41-E182 HydrophobicContact CG-CB 4.19Å; F41-E182 HydrophobicContact CG-CG 3.75Å; F41-E182 HydrophobicContact CZ-CB 4.16Å; F41-E182 HydrophobicContact CZ-CG 4.34Å; E182-S187 WeakPolarHBondContact O-CB 3.12Å
183H93.1Very high94.6Very high115 Ų11533.6 Ų33.653%0.53217%0.168SC..SBendtrans-91.5145.7-176-52.792.4000111.8D181 M186 S187D181-H183 VanDerWaalsContact C-N 3.32Å; D181-H183 IonicContact OD1-CE1 2.72Å; D181-H183 IonicContact OD1-CG 2.87Å; D181-H183 PolarHBondContact OD1-N 3.31Å; D181-H183 IonicContact OD1-ND1 3.74Å; D181-H183 PolarHBondContact OD1-ND1 3.44Å; H183-M186 PolarHBondContact O-N 3.22Å; H183-S187 PolarHBondContact O-N 3.49Å
184Y92.9Very high94.6Very high14 Ų1433.6 Ų33.66%0.05517%0.168CC..THydrogen-bonded Turntrans-57.7140.9165.3-179.6-88.5000110.9S187 K188 T451 D456 E458 N459 R462Y184-S187 PolarHBondContact N-OG 2.88Å; Y184-K188 HydrophobicContact CE2-CD 4.5Å; Y184-T451 HydrophobicContact CE1-CG2 3.64Å; Y184-T451 VanDerWaalsContact OH-CG2 3.25Å; Y184-T451 WeakPolarHBondContact OH-CG2 3.24Å; Y184-T451 PolarHBondContact OH-OG1 2.96Å; Y184-D456 HydrophobicContact CE2-CB 3.9Å; Y184-D456 VanDerWaalsContact CE2-OD2 3.27Å; Y184-D456 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D456 VanDerWaalsContact OH-CB 3.3Å; Y184-D456 WeakPolarHBondContact OH-CB 3.31Å; Y184-D456 PolarHBondContact OH-OD2 2.04Å; Y184-E458 HydrophobicContact CD1-CB 3.94Å; Y184-E458 HydrophobicContact CD2-CB 3.77Å; Y184-E458 HydrophobicContact CD2-CG 3.89Å; Y184-E458 HydrophobicContact CE1-CB 4.41Å; Y184-E458 HydrophobicContact CE2-CB 4.28Å; Y184-E458 HydrophobicContact CG-CB 3.58Å; Y184-E458 HydrophobicContact CG-CG 4.01Å; Y184-N459 VanDerWaalsContact CE1-OD1 3.31Å; Y184-N459 WeakPolarHBondContact CE1-OD1 3.4Å; Y184-N459 PolarHBondContact OH-ND2 2.81Å; Y184-R462 PolarHBondContact O-NH2 3.39Å
185P92.7Very high94.6Very high18 Ų1834 Ų3412%0.11717%0.17CC..THydrogen-bonded Turncis-85.8-10.20.932.8-34.4000114.3S187 K188 V189 L320 T451P185-S187 VanDerWaalsContact C-N 3.31Å; P185-S187 PolarHBondContact O-N 3.32Å; P185-K188 WeakPolarHBondContact O-CB 3.33Å; P185-K188 PolarHBondContact O-N 2.78Å; P185-K188 VanDerWaalsContact O-N 3.08Å; P185-V189 PolarHBondContact O-N 2.91Å; P185-L320 HydrophobicContact CB-CD1 3.5Å; P185-L320 VanDerWaalsContact CB-CD1 3.5Å; P185-L320 HydrophobicContact CG-CD1 4.25Å; P185-T451 HydrophobicContact CB-CG2 3.85Å; P185-T451 HydrophobicContact CG-CG2 4.08Å
186M93Very high94.6Very high51 Ų5134.4 Ų34.425%0.25117%0.172SC..Hα-helixtrans-64.8-31.1-170.9-69.2-54.7-54.400113.6I153 D181 H183 K188 V189 L190I153-M186 HydrophobicContact CD1-CE 4.26Å; D181-M186 HydrophobicContact CB-CB 3.66Å; D181-M186 HydrophobicContact CB-CG 4.3Å; H183-M186 PolarHBondContact O-N 3.22Å; M186-K188 VanDerWaalsContact C-N 3.28Å; M186-K188 PolarHBondContact O-N 2.85Å; M186-V189 HydrophobicContact CE-CB 4.4Å; M186-V189 HydrophobicContact CE-CG1 4.29Å; M186-V189 PolarHBondContact O-N 3.2Å; M186-L190 VanDerWaalsContact O-CB 3.26Å; M186-L190 WeakPolarHBondContact O-CB 3.48Å; M186-L190 PolarHBondContact O-N 2.73Å
187S94.2Very high94.6Very high26 Ų2635.4 Ų35.418%0.18218%0.176CC..Hα-helixtrans-62-34.717457.10000113.1E182 H183 Y184 P185 L191E182-S187 WeakPolarHBondContact O-CB 3.12Å; H183-S187 PolarHBondContact O-N 3.49Å; Y184-S187 PolarHBondContact N-OG 2.88Å; P185-S187 VanDerWaalsContact C-N 3.31Å; P185-S187 PolarHBondContact O-N 3.32Å; S187-L191 PolarHBondContact O-N 3.18Å; S187-L191 VanDerWaalsContact O-N 3.08Å
188K93.2Very high94.8Very high44 Ų4433.2 Ų33.219%0.19116%0.163CC..Hα-helixtrans-71.7-45.1174.5-174.1174.8175.2-178.90111Y184 P185 M186 L190 L191 Y192 D456Y184-K188 HydrophobicContact CE2-CD 4.5Å; P185-K188 WeakPolarHBondContact O-CB 3.33Å; P185-K188 PolarHBondContact O-N 2.78Å; P185-K188 VanDerWaalsContact O-N 3.08Å; M186-K188 VanDerWaalsContact C-N 3.28Å; M186-K188 PolarHBondContact O-N 2.85Å; K188-L190 VanDerWaalsContact C-N 3.28Å; K188-L190 PolarHBondContact O-N 2.8Å; K188-L191 PolarHBondContact O-N 3.19Å; K188-Y192 HydrophobicContact CG-CD2 4.06Å; K188-Y192 HydrophobicContact CG-CE2 4.02Å; K188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K188-Y192 PolarHBondContact O-N 3.46Å; K188-Y192 VanDerWaalsContact O-N 3.1Å; K188-D456 IonicContact NZ-OD1 2.75Å; K188-D456 PolarHBondContact NZ-OD1 2.81Å; K188-D456 IonicContact NZ-OD2 3.64Å; K188-D456 PolarHBondContact NZ-OD2 3.41Å
189V94.4Very high95.1Very high19 Ų1928.9 Ų28.912%0.11514%0.139CC..Hα-helixtrans-57-45174.2175.30000110.5I153 P185 M186 L191 Y192 T193 V318I153-V189 HydrophobicContact CD1-CG1 3.81Å; P185-V189 PolarHBondContact O-N 2.91Å; M186-V189 HydrophobicContact CE-CB 4.4Å; M186-V189 HydrophobicContact CE-CG1 4.29Å; M186-V189 PolarHBondContact O-N 3.2Å; V189-L191 PolarHBondContact O-N 3.24Å; V189-Y192 PolarHBondContact O-N 3.33Å; V189-T193 WeakPolarHBondContact O-CB 3.36Å; V189-T193 PolarHBondContact O-N 3.18Å; V189-T193 PolarHBondContact O-OG1 2.77Å; V189-V318 HydrophobicContact CG1-CB 4.43Å; V189-V318 HydrophobicContact CG1-CG1 3.89Å
190L95.8Very high95.3Very high2 Ų226.6 Ų26.61%0.0113%0.131CC..Hα-helixtrans-63.4-40.5179-179.962.2000112.3F41 L42 I46 I153 F175 L180 M186 K188 T193 A194F41-L190 HydrophobicContact CE1-CD2 3.71Å; F41-L190 HydrophobicContact CZ-CD2 4.27Å; L42-L190 HydrophobicContact CD1-CD2 4.3Å; I46-L190 HydrophobicContact CD1-CB 4.25Å; I46-L190 HydrophobicContact CD1-CD2 4.05Å; I46-L190 HydrophobicContact CD1-CG 4Å; I46-L190 HydrophobicContact CG1-CD2 3.86Å; I46-L190 HydrophobicContact CG1-CG 4.07Å; I46-L190 HydrophobicContact CG2-CG 4.05Å; I153-L190 HydrophobicContact CG2-CD1 3.44Å; I153-L190 VanDerWaalsContact CG2-CD1 3.44Å; F175-L190 HydrophobicContact CD1-CD1 3.94Å; F175-L190 HydrophobicContact CE1-CD1 4.12Å; L180-L190 HydrophobicContact CD2-CD1 4.06Å; L180-L190 HydrophobicContact CD2-CD2 3.93Å; M186-L190 VanDerWaalsContact O-CB 3.26Å; M186-L190 WeakPolarHBondContact O-CB 3.48Å; M186-L190 PolarHBondContact O-N 2.73Å; K188-L190 VanDerWaalsContact C-N 3.28Å; K188-L190 PolarHBondContact O-N 2.8Å; L190-T193 PolarHBondContact O-N 2.87Å; L190-A194 PolarHBondContact O-N 3.39Å
191L96.2Very high95.4Very high32 Ų3226.1 Ų26.117%0.16813%0.129CC..Hα-helixtrans-60.9-50.2175.4173.459.5000111.5I46 K49 S187 K188 V189 T193 A194 I195I46-L191 HydrophobicContact CD1-CB 3.95Å; K49-L191 HydrophobicContact CB-CD1 3.64Å; K49-L191 HydrophobicContact CD-CD2 4.23Å; S187-L191 PolarHBondContact O-N 3.18Å; S187-L191 VanDerWaalsContact O-N 3.08Å; K188-L191 PolarHBondContact O-N 3.19Å; V189-L191 PolarHBondContact O-N 3.24Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.15Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 2.74Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-I195 HydrophobicContact CD1-CD1 4.38Å; L191-I195 HydrophobicContact CG-CD1 4.41Å; L191-I195 WeakPolarHBondContact O-CG1 3.17Å; L191-I195 PolarHBondContact O-N 2.76Å; L191-I195 VanDerWaalsContact O-N 3.08Å
192Y96.1Very high95.7Very high38 Ų3823.7 Ų23.715%0.14912%0.116CC..Hα-helixtrans-69.6-30.9179.6-78.5-74.1000112.7K188 V189 A194 I195 H196 L322 I324 Q346K188-Y192 HydrophobicContact CG-CD2 4.06Å; K188-Y192 HydrophobicContact CG-CE2 4.02Å; K188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K188-Y192 PolarHBondContact O-N 3.46Å; K188-Y192 VanDerWaalsContact O-N 3.1Å; V189-Y192 PolarHBondContact O-N 3.33Å; Y192-A194 VanDerWaalsContact C-N 3.35Å; Y192-I195 HydrophobicContact CD1-CD1 4.19Å; Y192-I195 HydrophobicContact CE1-CD1 4.46Å; Y192-I195 PolarHBondContact O-N 2.96Å; Y192-H196 WeakPolarHBondContact O-CB 3.31Å; Y192-H196 PolarHBondContact O-N 2.99Å; Y192-L322 HydrophobicContact CD1-CB 4.24Å; Y192-L322 HydrophobicContact CD1-CD2 3.4Å; Y192-L322 VanDerWaalsContact CD1-CD2 3.4Å; Y192-L322 HydrophobicContact CD1-CG 4.39Å; Y192-L322 HydrophobicContact CE1-CD2 4.07Å; Y192-L322 HydrophobicContact CG-CB 4.12Å; Y192-L322 HydrophobicContact CG-CD2 4.03Å; Y192-I324 HydrophobicContact CE1-CD1 4.27Å; Y192-I324 HydrophobicContact CE1-CG1 4.21Å; Y192-Q346 PolarHBondContact OH-NE2 3.25Å
193T96Very high95.7Very high6 Ų619.9 Ų19.94%0.03710%0.098CC..Hα-helixtrans-60-46.4168.5-53.70000110.2I153 A154 V189 L190 L191 I195 H196 E197I153-T193 HydrophobicContact CB-CG2 4.04Å; I153-T193 HydrophobicContact CG2-CG2 3.9Å; A154-T193 HydrophobicContact CB-CG2 4.03Å; V189-T193 WeakPolarHBondContact O-CB 3.36Å; V189-T193 PolarHBondContact O-N 3.18Å; V189-T193 PolarHBondContact O-OG1 2.77Å; L190-T193 PolarHBondContact O-N 2.87Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.15Å; T193-I195 VanDerWaalsContact C-N 3.31Å; T193-I195 PolarHBondContact O-N 3.19Å; T193-H196 WeakPolarHBondContact O-CB 3.38Å; T193-H196 PolarHBondContact O-N 3.27Å; T193-E197 HydrophobicContact CG2-CG 4.07Å; T193-E197 WeakPolarHBondContact O-CB 3.36Å; T193-E197 VanDerWaalsContact O-CG 3.29Å; T193-E197 WeakPolarHBondContact O-CG 3.3Å; T193-E197 PolarHBondContact O-N 3.07Å
194A97.9Very high95.9Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-60.5-40.6178.200000112.4I46 A50 I173 F175 L190 L191 Y192 M198I46-A194 HydrophobicContact CG2-CB 3.6Å; A50-A194 HydrophobicContact CB-CB 3.91Å; I173-A194 HydrophobicContact CD1-CB 4.34Å; F175-A194 HydrophobicContact CE1-CB 3.89Å; F175-A194 HydrophobicContact CZ-CB 3.85Å; L190-A194 PolarHBondContact O-N 3.39Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 2.74Å; L191-A194 VanDerWaalsContact O-N 3.15Å; Y192-A194 VanDerWaalsContact C-N 3.35Å; A194-M198 WeakPolarHBondContact O-CB 3.28Å; A194-M198 WeakPolarHBondContact O-CG 3.08Å; A194-M198 PolarHBondContact O-N 3.26Å
195I98.2Very high95.8Very high10 Ų1013.9 Ų13.95%0.0517%0.071CC..Hα-helixtrans-63.2-46.5175.7-63.7170.1000110.5A50 F53 W54 L191 Y192 T193 M198 G199 L313 I324A50-I195 HydrophobicContact CB-CG1 3.74Å; F53-I195 HydrophobicContact CD1-CG2 3.59Å; F53-I195 HydrophobicContact CE1-CG2 3.75Å; F53-I195 HydrophobicContact CG-CG2 4.44Å; W54-I195 HydrophobicContact CZ2-CG2 4.14Å; W54-I195 WeakPolarHBondContact CZ2-O 3.49Å; W54-I195 PolarHBondContact NE1-O 2.86Å; L191-I195 HydrophobicContact CD1-CD1 4.38Å; L191-I195 HydrophobicContact CG-CD1 4.41Å; L191-I195 WeakPolarHBondContact O-CG1 3.17Å; L191-I195 PolarHBondContact O-N 2.76Å; L191-I195 VanDerWaalsContact O-N 3.08Å; Y192-I195 HydrophobicContact CD1-CD1 4.19Å; Y192-I195 HydrophobicContact CE1-CD1 4.46Å; Y192-I195 PolarHBondContact O-N 2.96Å; T193-I195 VanDerWaalsContact C-N 3.31Å; T193-I195 PolarHBondContact O-N 3.19Å; I195-M198 PolarHBondContact O-N 2.8Å; I195-G199 PolarHBondContact O-N 3.49Å; I195-L313 HydrophobicContact CB-CD1 4.31Å; I195-L313 HydrophobicContact CG2-CD1 3.84Å; I195-L313 HydrophobicContact CG2-CD2 3.92Å; I195-I324 HydrophobicContact CD1-CD1 4.15Å; I195-I324 HydrophobicContact CG2-CD1 4.1Å
196H97Very high95.6Very high7 Ų715.4 Ų15.43%0.0327%0.074CC..Hα-helixtrans-57.1-52.8177.2173.2103.4000111.8Y192 T193 M198 G199 H200 H303 L313 S315Y192-H196 WeakPolarHBondContact O-CB 3.31Å; Y192-H196 PolarHBondContact O-N 2.99Å; T193-H196 WeakPolarHBondContact O-CB 3.38Å; T193-H196 PolarHBondContact O-N 3.27Å; H196-M198 PolarHBondContact O-N 2.99Å; H196-G199 VanDerWaalsContact O-CA 3.3Å; H196-G199 WeakPolarHBondContact O-CA 3.38Å; H196-G199 PolarHBondContact O-N 3.34Å; H196-H200 AromaticContact CD2-CD2 3.8Å; H196-H200 AromaticContact CD2-NE2 3.64Å; H196-H200 AromaticContact CE1-NE2 3.85Å; H196-H200 AromaticContact NE2-CD2 3.76Å; H196-H200 AromaticContact NE2-NE2 3.1Å; H196-H200 PolarHBondContact NE2-NE2 3.19Å; H196-H200 VanDerWaalsContact NE2-NE2 3.1Å; H196-H200 PolarHBondContact O-N 3.16Å; H196-H303 AromaticContact CE1-CD2 3.6Å; H196-H303 AromaticContact CE1-NE2 3.81Å; H196-H303 AromaticContact NE2-CD2 3.81Å; H196-H303 AromaticContact NE2-NE2 3.54Å; H196-L313 HydrophobicContact CB-CD1 3.97Å; H196-L313 PolarHBondContact ND1-O 2.94Å; H196-S315 PolarHBondContact CE1-O 3.49Å; H196-S315 VanDerWaalsContact CE1-O 3.32Å
197E96.8Very high95.4Very high21 Ų2113.5 Ų13.510%0.0987%0.065CC..Hα-helixtrans-63.5-42.9-179.1-67.5-51.7153.900111.9A154 F155 A156 I173 T193 G199 H200 A201A154-E197 HydrophobicContact CB-CG 3.9Å; F155-E197 VanDerWaalsContact CA-OE2 3.24Å; F155-E197 WeakPolarHBondContact CA-OE2 3.36Å; A156-E197 HydrophobicContact CB-CB 3.68Å; A156-E197 WeakPolarHBondContact CB-O 3.4Å; A156-E197 PolarHBondContact N-OE2 2.86Å; I173-E197 HydrophobicContact CD1-CB 3.62Å; I173-E197 HydrophobicContact CD1-CG 4.44Å; I173-E197 HydrophobicContact CG1-CB 4.05Å; T193-E197 HydrophobicContact CG2-CG 4.07Å; T193-E197 WeakPolarHBondContact O-CB 3.36Å; T193-E197 VanDerWaalsContact O-CG 3.29Å; T193-E197 WeakPolarHBondContact O-CG 3.3Å; T193-E197 PolarHBondContact O-N 3.07Å; E197-G199 PolarHBondContact O-N 2.97Å; E197-H200 WeakPolarHBondContact O-CB 3.36Å; E197-H200 PolarHBondContact O-N 2.77Å; E197-H200 IonicContact OE2-CD2 3.4Å; E197-A201 PolarHBondContact O-N 3.27Å
198M98.3Very high95.3Very high0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-59.5-33.4172.6-72.4-179-171.200111.7V47 A50 L51 M137 I173 A194 I195 H196 H200 A201 L202V47-M198 HydrophobicContact CG1-CE 4.26Å; A50-M198 HydrophobicContact CB-CE 3.82Å; A50-M198 HydrophobicContact CB-SD 3.62Å; L51-M198 HydrophobicContact CD2-CE 3.91Å; L51-M198 HydrophobicContact CD2-SD 3.89Å; L51-M198 HydrophobicContact CG-CE 4.02Å; L51-M198 HydrophobicContact CG-SD 4.31Å; M137-M198 HydrophobicContact CE-CB 4.25Å; M137-M198 HydrophobicContact CE-CG 3.95Å; M137-M198 HydrophobicContact CE-SD 4.48Å; M137-M198 HydrophobicContact SD-CE 4Å; M137-M198 HydrophobicContact SD-CG 3.76Å; M137-M198 HydrophobicContact SD-SD 4.03Å; I173-M198 HydrophobicContact CD1-CE 4.45Å; I173-M198 HydrophobicContact CD1-CG 4.24Å; I173-M198 HydrophobicContact CG2-CE 4.35Å; A194-M198 WeakPolarHBondContact O-CB 3.28Å; A194-M198 WeakPolarHBondContact O-CG 3.08Å; A194-M198 PolarHBondContact O-N 3.26Å; I195-M198 PolarHBondContact O-N 2.8Å; H196-M198 PolarHBondContact O-N 2.99Å; M198-H200 VanDerWaalsContact C-N 3.33Å; M198-H200 PolarHBondContact O-N 3.36Å; M198-A201 PolarHBondContact O-N 3.45Å; M198-L202 WeakPolarHBondContact O-CB 3.11Å; M198-L202 WeakPolarHBondContact O-CD1 3.09Å; M198-L202 WeakPolarHBondContact O-CG 3.26Å; M198-L202 PolarHBondContact O-N 3.36Å
199G98.1Very high95.4Very high0 Ų010.2 Ų10.20%05%0.047CC..Hα-helixtrans-58.4-41171.800000113.3W54 I195 H196 E197 L202 G203 F204 F332W54-G199 VanDerWaalsContact CZ2-CA 3.44Å; I195-G199 PolarHBondContact O-N 3.49Å; H196-G199 VanDerWaalsContact O-CA 3.3Å; H196-G199 WeakPolarHBondContact O-CA 3.38Å; H196-G199 PolarHBondContact O-N 3.34Å; E197-G199 PolarHBondContact O-N 2.97Å; G199-L202 PolarHBondContact O-N 3.48Å; G199-G203 PolarHBondContact O-N 2.86Å; G199-F204 PolarHBondContact O-N 3.25Å; G199-F332 WeakPolarHBondContact O-CZ 3.48Å
200H95.8Very high95.4Very high14 Ų149.3 Ų9.37%0.0654%0.042CC..Hα-helixtrans-63.8-38.7173.5-71-52.4000113.5H196 E197 M198 F204 N205 T302 H303 M314H196-H200 AromaticContact CD2-CD2 3.8Å; H196-H200 AromaticContact CD2-NE2 3.64Å; H196-H200 AromaticContact CE1-NE2 3.85Å; H196-H200 AromaticContact NE2-CD2 3.76Å; H196-H200 AromaticContact NE2-NE2 3.1Å; H196-H200 PolarHBondContact NE2-NE2 3.19Å; H196-H200 VanDerWaalsContact NE2-NE2 3.1Å; H196-H200 PolarHBondContact O-N 3.16Å; E197-H200 WeakPolarHBondContact O-CB 3.36Å; E197-H200 PolarHBondContact O-N 2.77Å; E197-H200 IonicContact OE2-CD2 3.4Å; M198-H200 VanDerWaalsContact C-N 3.33Å; M198-H200 PolarHBondContact O-N 3.36Å; H200-F204 WeakPolarHBondContact CA-O 3.25Å; H200-F204 PolarHBondContact ND1-O 2.84Å; H200-N205 WeakPolarHBondContact O-CB 3.36Å; H200-N205 PolarHBondContact O-ND2 2.87Å; H200-T302 PolarHBondContact CE1-O 3.26Å; H200-T302 VanDerWaalsContact CE1-O 3.24Å; H200-H303 AromaticContact CE1-CD2 3.74Å; H200-H303 AromaticContact CE1-NE2 3.53Å; H200-H303 AromaticContact NE2-CD2 3.79Å; H200-H303 AromaticContact NE2-NE2 3.26Å; H200-H303 PolarHBondContact NE2-NE2 3.15Å; H200-M314 WeakPolarHBondContact CE1-CE 3.47Å; H200-M314 WeakPolarHBondContact ND1-CE 3.25Å
201A97Very high95.3Very high0 Ų09.6 Ų9.60%04%0.043CC..Hα-helixtrans-69.8-35.8176.900000112Y135 M137 A156 E197 M198Y135-A201 WeakPolarHBondContact OH-CB 3.38Å; Y135-A201 PolarHBondContact OH-O 3.01Å; Y135-A201 VanDerWaalsContact OH-O 3.07Å; M137-A201 HydrophobicContact CE-CB 4.47Å; A156-A201 HydrophobicContact CB-CB 4.32Å; E197-A201 PolarHBondContact O-N 3.27Å; M198-A201 PolarHBondContact O-N 3.45Å
202L98.3Very high95.4Very high0 Ų08.1 Ų8.10%04%0.035CC..Hα-helixtrans-83.2-28.8-174.2-70168.4000113.9L23 I25 W54 L58 Y135 M137 M198 G199 F332 Y338L23-L202 HydrophobicContact CD2-CD2 3.94Å; I25-L202 HydrophobicContact CD1-CD1 4.4Å; W54-L202 HydrophobicContact CB-CD1 3.78Å; W54-L202 HydrophobicContact CD2-CD1 3.56Å; W54-L202 HydrophobicContact CE3-CD1 3.99Å; W54-L202 HydrophobicContact CG-CD1 3.47Å; W54-L202 VanDerWaalsContact CG-CD1 3.47Å; L58-L202 HydrophobicContact CD1-CD1 4.28Å; Y135-L202 HydrophobicContact CD1-CD2 4.34Å; Y135-L202 HydrophobicContact CD2-CD2 3.72Å; Y135-L202 HydrophobicContact CE1-CD2 4.42Å; Y135-L202 HydrophobicContact CE2-CD2 3.81Å; Y135-L202 HydrophobicContact CG-CD2 4.01Å; M137-L202 HydrophobicContact CE-CG 4.49Å; M198-L202 WeakPolarHBondContact O-CB 3.11Å; M198-L202 WeakPolarHBondContact O-CD1 3.09Å; M198-L202 WeakPolarHBondContact O-CG 3.26Å; M198-L202 PolarHBondContact O-N 3.36Å; G199-L202 PolarHBondContact O-N 3.48Å; L202-F332 HydrophobicContact CB-CE1 3.73Å; L202-F332 HydrophobicContact CB-CZ 4.38Å; L202-Y338 PolarHBondContact O-OH 3.38Å
203G95.7Very high95.4Very high0 Ų08 Ų80%03%0.034CC..THydrogen-bonded Turntrans176.7-27.8179.100000118.3G199 N205 Y212G199-G203 PolarHBondContact O-N 2.86Å; G203-N205 VanDerWaalsContact C-N 3.34Å; G203-N205 PolarHBondContact O-N 3.38Å; G203-Y212 WeakPolarHBondContact O-CE1 3.4Å; G203-Y212 PolarHBondContact O-OH 2.87Å
204F96.1Very high95.4Very high0 Ų09.6 Ų9.60%04%0.043CC..  trans-82.580.1-179.6-161.3-67.4000109.9G199 H200 Y209 F268 L291 T302 F304 M314 V331 F332G199-F204 PolarHBondContact O-N 3.25Å; H200-F204 WeakPolarHBondContact CA-O 3.25Å; H200-F204 PolarHBondContact ND1-O 2.84Å; F204-Y209 VanDerWaalsContact CD1-OH 3.25Å; F204-Y209 WeakPolarHBondContact CD1-OH 3.28Å; F204-Y209 WeakPolarHBondContact CE1-OH 3.45Å; F204-F268 HydrophobicContact CE1-CE2 4.46Å; F204-F268 AromaticContact CE2-CE2 3.78Å; F204-F268 HydrophobicContact CE2-CE2 3.78Å; F204-F268 AromaticContact CZ-CE2 3.69Å; F204-F268 HydrophobicContact CZ-CE2 3.69Å; F204-F268 HydrophobicContact CZ-CZ 4.35Å; F204-L291 HydrophobicContact CZ-CD2 4.31Å; F204-T302 VanDerWaalsContact CD1-O 3.26Å; F204-T302 WeakPolarHBondContact CD1-O 3.19Å; F204-T302 WeakPolarHBondContact CE1-O 3.46Å; F204-F304 HydrophobicContact CE2-CD1 4.5Å; F204-F304 HydrophobicContact CE2-CD2 4.06Å; F204-F304 HydrophobicContact CE2-CE1 4.02Å; F204-F304 AromaticContact CE2-CE2 3.5Å; F204-F304 HydrophobicContact CE2-CE2 3.5Å; F204-F304 AromaticContact CE2-CZ 3.49Å; F204-F304 HydrophobicContact CE2-CZ 3.49Å; F204-F304 VanDerWaalsContact CE2-CZ 3.49Å; F204-F304 HydrophobicContact CZ-CD1 4.14Å; F204-F304 HydrophobicContact CZ-CD2 4.03Å; F204-F304 HydrophobicContact CZ-CE1 4.06Å; F204-F304 AromaticContact CZ-CE2 3.93Å; F204-F304 HydrophobicContact CZ-CE2 3.93Å; F204-F304 HydrophobicContact CZ-CG 4.13Å; F204-F304 AromaticContact CZ-CZ 3.96Å; F204-F304 HydrophobicContact CZ-CZ 3.96Å; F204-M314 HydrophobicContact CB-CE 3.83Å; F204-M314 HydrophobicContact CB-CG 4.37Å; F204-M314 HydrophobicContact CB-SD 4.34Å; F204-M314 HydrophobicContact CD1-CB 4.35Å; F204-M314 HydrophobicContact CD1-CE 3.74Å; F204-M314 HydrophobicContact CD1-CG 4.43Å; F204-M314 HydrophobicContact CD2-CB 4.06Å; F204-M314 HydrophobicContact CD2-CG 3.77Å; F204-M314 HydrophobicContact CE1-CB 4.24Å; F204-M314 HydrophobicContact CE1-CE 4.5Å; F204-M314 HydrophobicContact CE2-CB 3.89Å; F204-M314 HydrophobicContact CE2-CG 4.1Å; F204-M314 HydrophobicContact CG-CB 4.28Å; F204-M314 HydrophobicContact CG-CE 3.8Å; F204-M314 HydrophobicContact CG-CG 3.94Å; F204-M314 HydrophobicContact CG-SD 4.42Å; F204-M314 HydrophobicContact CZ-CB 4Å; F204-V331 HydrophobicContact CD2-CB 4.12Å; F204-V331 HydrophobicContact CD2-CG1 3.82Å; F204-V331 HydrophobicContact CD2-CG2 4.25Å; F204-V331 HydrophobicContact CE2-CB 4.33Å; F204-V331 HydrophobicContact CE2-CG1 4.19Å; F204-V331 HydrophobicContact CE2-CG2 3.96Å; F204-F332 HydrophobicContact CB-CZ 4.34Å
205N91Very high95Very high4 Ų412.1 Ų12.12%0.0216%0.057CC..  trans-152.7132.8-175.2-177.4-34.1000109.9N157 H200 G203 N207 L208 Y209N157-N205 PolarHBondContact OD1-ND2 2.89Å; H200-N205 WeakPolarHBondContact O-CB 3.36Å; H200-N205 PolarHBondContact O-ND2 2.87Å; G203-N205 VanDerWaalsContact C-N 3.34Å; G203-N205 PolarHBondContact O-N 3.38Å; N205-N207 PolarHBondContact O-N 3.5Å; N205-N207 WeakPolarHBondContact OD1-CB 3.2Å; N205-N207 PolarHBondContact OD1-N 2.91Å; N205-L208 HydrophobicContact CB-CB 4.13Å; N205-L208 HydrophobicContact CB-CD1 3.83Å; N205-L208 HydrophobicContact CB-CG 3.87Å; N205-L208 WeakPolarHBondContact O-CA 3.36Å; N205-L208 VanDerWaalsContact O-CB 3.31Å; N205-L208 WeakPolarHBondContact O-CB 3.39Å; N205-L208 PolarHBondContact O-N 3.15Å; N205-Y209 VanDerWaalsContact C-CZ 3.48Å; N205-Y209 WeakPolarHBondContact O-CD1 3.45Å; N205-Y209 WeakPolarHBondContact O-CE1 3.14Å; N205-Y209 PolarHBondContact O-N 3.25Å
206R88.6Confident94.6Very high49 Ų4921.1 Ų21.119%0.1859%0.091CC..THydrogen-bonded Turntrans-51.5-33.7179.7-175.3-176.9177.9-170.4-2.8113.1L208 Y209 P210 G297 L301 T302R206-L208 PolarHBondContact O-N 3.47Å; R206-Y209 HydrophobicContact CB-CE2 4.19Å; R206-P210 WeakPolarHBondContact O-CD 3.18Å; R206-G297 PolarHBondContact NH1-O 3.14Å; R206-G297 VanDerWaalsContact NH1-O 3.11Å; R206-L301 HydrophobicContact CG-CB 4.41Å; R206-T302 HydrophobicContact CB-CG2 3.71Å
207N88.1Confident94.3Very high11 Ų1121.5 Ų21.56%0.05910%0.097CC..THydrogen-bonded Turntrans-72.3-19.1178-62-22.9000113.3I4 N205 F211 I239I4-N207 HydrophobicContact CD1-CB 3.29Å; I4-N207 HydrophobicContact CG1-CB 3.86Å; N205-N207 PolarHBondContact O-N 3.5Å; N205-N207 WeakPolarHBondContact OD1-CB 3.2Å; N205-N207 PolarHBondContact OD1-N 2.91Å; N207-F211 VanDerWaalsContact O-CD2 3.27Å; N207-F211 WeakPolarHBondContact O-CD2 3.34Å; N207-F211 WeakPolarHBondContact O-CE2 3.32Å; N207-I239 WeakPolarHBondContact OD1-CD1 3.38Å; N207-I239 WeakPolarHBondContact OD1-CG1 3.41Å; N207-I239 WeakPolarHBondContact OD1-CG2 3.36Å
208L93.5Very high94.1Very high0 Ų027.3 Ų27.30%012%0.122CC..THydrogen-bonded Turntrans-98.7-23.5-176.5-66.9-175.3000113.5I4 A158 L161 P168 N205 R206 P210 F211 Y212 W337I4-L208 HydrophobicContact CD1-CD2 3.51Å; I4-L208 HydrophobicContact CD1-CG 3.99Å; A158-L208 HydrophobicContact CB-CD1 4.14Å; A158-L208 HydrophobicContact CB-CD2 4.19Å; L161-L208 HydrophobicContact CD1-CD2 4.44Å; L161-L208 HydrophobicContact CD2-CD2 3.49Å; L161-L208 VanDerWaalsContact CD2-CD2 3.49Å; P168-L208 HydrophobicContact CG-CD1 3.55Å; P168-L208 HydrophobicContact CG-CD2 3.93Å; P168-L208 HydrophobicContact CG-CG 4.4Å; N205-L208 HydrophobicContact CB-CB 4.13Å; N205-L208 HydrophobicContact CB-CD1 3.83Å; N205-L208 HydrophobicContact CB-CG 3.87Å; N205-L208 WeakPolarHBondContact O-CA 3.36Å; N205-L208 VanDerWaalsContact O-CB 3.31Å; N205-L208 WeakPolarHBondContact O-CB 3.39Å; N205-L208 PolarHBondContact O-N 3.15Å; R206-L208 PolarHBondContact O-N 3.47Å; L208-P210 VanDerWaalsContact C-CD 3.42Å; L208-F211 WeakPolarHBondContact O-CA 3.37Å; L208-F211 VanDerWaalsContact O-CB 3.28Å; L208-F211 WeakPolarHBondContact O-CB 3.4Å; L208-F211 PolarHBondContact O-N 2.99Å; L208-Y212 HydrophobicContact CB-CE1 4.39Å; L208-Y212 WeakPolarHBondContact O-CD1 3.45Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-W337 HydrophobicContact CB-CH2 4.03Å; L208-W337 HydrophobicContact CB-CZ3 4.49Å; L208-W337 HydrophobicContact CD1-CZ3 4.43Å; L208-W337 HydrophobicContact CD2-CH2 4.41Å
209Y94.4Very high93.9Very high1 Ų128.9 Ų28.90%0.00413%0.132CC..G310 helixtrans-56.2-40.4-179.8-52.6-22.8000114.5F204 N205 R206 F211 Y212 L247 F268 L301F204-Y209 VanDerWaalsContact CD1-OH 3.25Å; F204-Y209 WeakPolarHBondContact CD1-OH 3.28Å; F204-Y209 WeakPolarHBondContact CE1-OH 3.45Å; N205-Y209 VanDerWaalsContact C-CZ 3.48Å; N205-Y209 WeakPolarHBondContact O-CD1 3.45Å; N205-Y209 WeakPolarHBondContact O-CE1 3.14Å; N205-Y209 PolarHBondContact O-N 3.25Å; R206-Y209 HydrophobicContact CB-CE2 4.19Å; Y209-F211 PolarHBondContact O-N 3.38Å; Y209-F211 VanDerWaalsContact O-N 3.14Å; Y209-Y212 HydrophobicContact CD1-CE1 4.2Å; Y209-Y212 AromaticContact CD1-CE2 3.87Å; Y209-Y212 HydrophobicContact CD1-CE2 3.87Å; Y209-Y212 AromaticContact CD1-CZ 3.59Å; Y209-Y212 WeakPolarHBondContact CD1-OH 3.32Å; Y209-Y212 WeakPolarHBondContact CE1-OH 3.27Å; Y209-Y212 PolarHBondContact O-N 2.95Å; Y209-L247 HydrophobicContact CD2-CD1 4.36Å; Y209-F268 HydrophobicContact CD1-CE1 4.13Å; Y209-F268 AromaticContact CD1-CZ 3.98Å; Y209-F268 HydrophobicContact CD1-CZ 3.98Å; Y209-F268 AromaticContact CD2-CE1 3.84Å; Y209-F268 HydrophobicContact CD2-CE1 3.84Å; Y209-F268 HydrophobicContact CD2-CZ 4.15Å; Y209-F268 HydrophobicContact CE1-CE1 4.09Å; Y209-F268 AromaticContact CE1-CZ 3.52Å; Y209-F268 HydrophobicContact CE1-CZ 3.52Å; Y209-F268 AromaticContact CE2-CE1 3.79Å; Y209-F268 HydrophobicContact CE2-CE1 3.79Å; Y209-F268 AromaticContact CE2-CZ 3.69Å; Y209-F268 HydrophobicContact CE2-CZ 3.69Å; Y209-F268 HydrophobicContact CG-CE1 4.03Å; Y209-F268 HydrophobicContact CG-CZ 4.3Å; Y209-F268 AromaticContact CZ-CE1 3.96Å; Y209-F268 AromaticContact CZ-CZ 3.39Å; Y209-L301 VanDerWaalsContact CE2-O 3.23Å; Y209-L301 WeakPolarHBondContact CE2-O 3.25Å; Y209-L301 PolarHBondContact OH-O 3.36Å
210P93.8Very high93.8Very high0 Ų030.1 Ų30.10%014%0.137CC..G310 helixtrans-61.9-22.7174.7-20.933.6000112.3R206 L208 T221 R223 P230 F240 P242R206-P210 WeakPolarHBondContact O-CD 3.18Å; L208-P210 VanDerWaalsContact C-CD 3.42Å; P210-T221 VanDerWaalsContact O-CB 3.24Å; P210-T221 WeakPolarHBondContact O-CB 3.33Å; P210-T221 PolarHBondContact O-OG1 3.29Å; P210-R223 PolarHBondContact O-NH1 3.06Å; P210-R223 PolarHBondContact O-NH2 3.3Å; P210-P230 HydrophobicContact CB-CB 4.14Å; P210-P230 HydrophobicContact CB-CG 3.79Å; P210-F240 HydrophobicContact CB-CB 3.86Å; P210-F240 HydrophobicContact CG-CB 3.83Å; P210-F240 WeakPolarHBondContact CG-O 3.17Å; P210-P242 HydrophobicContact CG-CB 4.39Å
211F95.3Very high93.8Very high9 Ų929.5 Ų29.54%0.03913%0.134CC..G310 helixtrans-89.4-8.3-177.1-66.9-75.6000114.3H6 L161 D166 N207 L208 Y209 R223 M229 P230 F240 W337H6-F211 AromaticContact CE1-CD1 3.73Å; H6-F211 AromaticContact CE1-CE1 3.37Å; H6-F211 WeakPolarHBondContact CE1-CE1 3.3Å; H6-F211 AromaticContact NE2-CD1 3.93Å; H6-F211 AromaticContact NE2-CE1 3.08Å; H6-F211 WeakPolarHBondContact NE2-CE1 3.43Å; H6-F211 AromaticContact NE2-CZ 3.67Å; L161-F211 HydrophobicContact CD1-CB 4.15Å; L161-F211 HydrophobicContact CD1-CD1 3.78Å; L161-F211 HydrophobicContact CD1-CD2 3.88Å; L161-F211 HydrophobicContact CD1-CE1 4.13Å; L161-F211 HydrophobicContact CD1-CE2 4.21Å; L161-F211 HydrophobicContact CD1-CG 3.64Å; L161-F211 HydrophobicContact CD1-CZ 4.33Å; D166-F211 HydrophobicContact CB-CB 3.86Å; D166-F211 HydrophobicContact CB-CD1 4.04Å; D166-F211 HydrophobicContact CB-CG 4.37Å; N207-F211 VanDerWaalsContact O-CD2 3.27Å; N207-F211 WeakPolarHBondContact O-CD2 3.34Å; N207-F211 WeakPolarHBondContact O-CE2 3.32Å; L208-F211 WeakPolarHBondContact O-CA 3.37Å; L208-F211 VanDerWaalsContact O-CB 3.28Å; L208-F211 WeakPolarHBondContact O-CB 3.4Å; L208-F211 PolarHBondContact O-N 2.99Å; Y209-F211 PolarHBondContact O-N 3.38Å; Y209-F211 VanDerWaalsContact O-N 3.14Å; F211-R223 VanDerWaalsContact CA-NH2 3.31Å; F211-R223 PolarHBondContact O-NH2 3.15Å; F211-M229 HydrophobicContact CE1-CE 4.15Å; F211-M229 HydrophobicContact CZ-CE 3.77Å; F211-P230 HydrophobicContact CD1-CG 4.14Å; F211-P230 HydrophobicContact CE1-CG 3.63Å; F211-P230 HydrophobicContact CE2-CG 4.25Å; F211-P230 HydrophobicContact CZ-CG 3.7Å; F211-F240 HydrophobicContact CE2-CD2 4.49Å; F211-F240 HydrophobicContact CZ-CD2 4.21Å; F211-F240 HydrophobicContact CZ-CE2 4.49Å; F211-W337 HydrophobicContact CB-CH2 4.44Å; F211-W337 HydrophobicContact CB-CZ2 3.99Å
212Y97.8Very high93.7Very high1 Ų133 Ų330%0.00416%0.157CC..  trans-57.4149.5176.9-71.80000112.8G203 L208 Y209 R220 V246 L270 V331 W337G203-Y212 WeakPolarHBondContact O-CE1 3.4Å; G203-Y212 PolarHBondContact O-OH 2.87Å; L208-Y212 HydrophobicContact CB-CE1 4.39Å; L208-Y212 WeakPolarHBondContact O-CD1 3.45Å; L208-Y212 PolarHBondContact O-N 2.82Å; Y209-Y212 HydrophobicContact CD1-CE1 4.2Å; Y209-Y212 AromaticContact CD1-CE2 3.87Å; Y209-Y212 HydrophobicContact CD1-CE2 3.87Å; Y209-Y212 AromaticContact CD1-CZ 3.59Å; Y209-Y212 WeakPolarHBondContact CD1-OH 3.32Å; Y209-Y212 WeakPolarHBondContact CE1-OH 3.27Å; Y209-Y212 PolarHBondContact O-N 2.95Å; Y212-R220 WeakPolarHBondContact O-CB 3.35Å; Y212-R220 PolarHBondContact O-N 2.78Å; Y212-V246 HydrophobicContact CD2-CG1 4.11Å; Y212-L270 HydrophobicContact CD2-CD1 4.1Å; Y212-L270 HydrophobicContact CD2-CD2 4.23Å; Y212-L270 HydrophobicContact CE2-CD1 3.88Å; Y212-V331 HydrophobicContact CE2-CG1 4.07Å; Y212-V331 WeakPolarHBondContact OH-CG1 3.32Å; Y212-W337 AromaticContact CD1-CH2 3.58Å; Y212-W337 HydrophobicContact CD1-CH2 3.58Å; Y212-W337 AromaticContact CD1-CZ2 3.98Å; Y212-W337 HydrophobicContact CD1-CZ2 3.98Å; Y212-W337 AromaticContact CD1-CZ3 3.91Å; Y212-W337 HydrophobicContact CD1-CZ3 3.91Å; Y212-W337 HydrophobicContact CE1-CE3 4.49Å; Y212-W337 AromaticContact CE1-CH2 3.7Å; Y212-W337 HydrophobicContact CE1-CH2 3.7Å; Y212-W337 AromaticContact CE1-CZ3 3.67Å; Y212-W337 HydrophobicContact CE1-CZ3 3.67Å
213R96.5Very high93.3Very high34 Ų3435.3 Ų35.313%0.12817%0.166CC..BIsolated β-bridgetrans-122.5156.2-179.7-65.5-177.7171.8-116.86.8110.3N164 T165 D166 G217 K218 R220 D334 S335 G336N164-R213 VanDerWaalsContact O-CZ 3.31Å; N164-R213 PolarHBondContact O-NH1 3.38Å; N164-R213 PolarHBondContact O-NH2 2.75Å; T165-R213 VanDerWaalsContact C-NE 3.28Å; T165-R213 WeakPolarHBondContact O-CD 3.32Å; T165-R213 PolarHBondContact O-NE 2.94Å; D166-R213 VanDerWaalsContact CG-NH2 3.32Å; D166-R213 IonicContact OD1-NH2 3.68Å; D166-R213 IonicContact OD2-CZ 3.29Å; D166-R213 IonicContact OD2-NE 3.81Å; D166-R213 PolarHBondContact OD2-NE 2.71Å; D166-R213 IonicContact OD2-NH2 3.79Å; D166-R213 PolarHBondContact OD2-NH2 2.77Å; R213-G217 WeakPolarHBondContact CD-O 3.25Å; R213-G217 PolarHBondContact NH1-O 3.37Å; R213-K218 CarbonylContact C-O 3.49Å; R213-K218 WeakPolarHBondContact CA-O 3.22Å; R213-K218 WeakPolarHBondContact CB-O 3.42Å; R213-R220 PolarHBondContact O-NE 3.39Å; R213-D334 VanDerWaalsContact O-O 3.09Å; R213-S335 PolarHBondContact N-O 3.25Å; R213-S335 CarbonylContact O-C 3.59Å; R213-G336 WeakPolarHBondContact O-CA 3.48Å; R213-G336 PolarHBondContact O-N 2.89Å
214D95.2Very high93Very high40 Ų4038.1 Ų38.121%0.21418%0.181CC..  trans-77.5178.2172.567.818.7000111.3Y216 G217 K218 R220D214-Y216 PolarHBondContact O-N 3.06Å; D214-Y216 VanDerWaalsContact O-N 3.15Å; D214-Y216 WeakPolarHBondContact OD1-CA 3.26Å; D214-Y216 WeakPolarHBondContact OD1-CB 3.18Å; D214-Y216 PolarHBondContact OD1-N 3.28Å; D214-G217 PolarHBondContact O-N 3.09Å; D214-G217 PolarHBondContact OD1-N 3.09Å; D214-K218 PolarHBondContact N-O 2.76Å; D214-K218 WeakPolarHBondContact OD1-CB 3.45Å; D214-K218 PolarHBondContact OD1-N 3.19Å; D214-K218 WeakPolarHBondContact OD2-CB 3.06Å; D214-R220 HydrophobicContact CB-CG 4.4Å
215D89.4Confident92.3Very high54 Ų5443.2 Ų43.229%0.28921%0.214SC..THydrogen-bonded Turntrans-61.6-23.2-179.1-82.4-37.2000113.4K61 R62 G217 K272K61-D215 IonicContact NZ-OD1 2.85Å; K61-D215 PolarHBondContact NZ-OD1 2.87Å; R62-D215 PolarHBondContact NH2-O 3.01Å; D215-G217 VanDerWaalsContact C-N 3.3Å; D215-K272 IonicContact OD1-NZ 2.91Å; D215-K272 PolarHBondContact OD1-NZ 2.94Å; D215-K272 IonicContact OD2-NZ 3.47Å; D215-K272 PolarHBondContact OD2-NZ 3.14Å
216Y90.4Very high92Very high198 Ų19847.4 Ų47.478%0.77624%0.239SC*.THydrogen-bonded Turntrans-85.9-2.1175.9-54.9-72.1000112.8R62 D214 K218R62-Y216 PolarHBondContact NH2-O 2.73Å; D214-Y216 PolarHBondContact O-N 3.06Å; D214-Y216 VanDerWaalsContact O-N 3.15Å; D214-Y216 WeakPolarHBondContact OD1-CA 3.26Å; D214-Y216 WeakPolarHBondContact OD1-CB 3.18Å; D214-Y216 PolarHBondContact OD1-N 3.28Å; Y216-K218 VanDerWaalsContact C-N 3.35Å
217G89.5Confident91.7Very high15 Ų1546.8 Ų46.816%0.15524%0.241CC..SBendtrans80.912.5-178.900000113.6R213 D214 D215R213-G217 WeakPolarHBondContact CD-O 3.25Å; R213-G217 PolarHBondContact NH1-O 3.37Å; D214-G217 PolarHBondContact O-N 3.09Å; D214-G217 PolarHBondContact OD1-N 3.09Å; D215-G217 VanDerWaalsContact C-N 3.3Å
218K92.6Very high91.5Very high143 Ų14347.2 Ų47.262%0.62225%0.248SC*.  trans-82.5138.9174.8-176.5-177177.3-178.90109.7R213 D214 Y216 R220R213-K218 CarbonylContact C-O 3.49Å; R213-K218 WeakPolarHBondContact CA-O 3.22Å; R213-K218 WeakPolarHBondContact CB-O 3.42Å; D214-K218 PolarHBondContact N-O 2.76Å; D214-K218 WeakPolarHBondContact OD1-CB 3.45Å; D214-K218 PolarHBondContact OD1-N 3.19Å; D214-K218 WeakPolarHBondContact OD2-CB 3.06Å; Y216-K218 VanDerWaalsContact C-N 3.35Å; K218-R220 PolarHBondContact O-N 3.45Å
219P94.6Very high91.2Very high33 Ų3348.3 Ų48.321%0.21425%0.254CS..BIsolated β-bridgetrans-52.2125.7173.3-29.237.8000112.6T221 R223P219-T221 VanDerWaalsContact CB-O 3.25Å; P219-T221 WeakPolarHBondContact CB-O 3.42Å; P219-R223 HydrophobicContact CB-CG 3.94Å; P219-R223 HydrophobicContact CG-CG 3.79Å
220R97Very high91.1Very high27 Ų2748.4 Ų48.410%0.10225%0.254CS..SBendtrans-68.2-42.7173.1-69.2-178.4-178.4-94.75.9110.7Y212 R213 D214 K218 S243 N245 V246 D334Y212-R220 WeakPolarHBondContact O-CB 3.35Å; Y212-R220 PolarHBondContact O-N 2.78Å; R213-R220 PolarHBondContact O-NE 3.39Å; D214-R220 HydrophobicContact CB-CG 4.4Å; K218-R220 PolarHBondContact O-N 3.45Å; R220-S243 VanDerWaalsContact C-OG 3.24Å; R220-S243 PolarHBondContact O-OG 3.26Å; R220-N245 PolarHBondContact O-ND2 3.45Å; R220-N245 PolarHBondContact O-OD1 2.99Å; R220-V246 HydrophobicContact CB-CG2 3.65Å; R220-V246 HydrophobicContact CG-CG2 4.3Å; R220-D334 PolarHBondContact NE-O 2.78Å; R220-D334 PolarHBondContact NH2-O 3.46Å; R220-D334 IonicContact NH2-OD1 3.01Å
221T96.1Very high91Very high0 Ų051.5 Ų51.50%028%0.276CS..SBendtrans-88127.4170.4-520000109.2P210 P219 R223 P230 T232 S243P210-T221 VanDerWaalsContact O-CB 3.24Å; P210-T221 WeakPolarHBondContact O-CB 3.33Å; P210-T221 PolarHBondContact O-OG1 3.29Å; P219-T221 VanDerWaalsContact CB-O 3.25Å; P219-T221 WeakPolarHBondContact CB-O 3.42Å; T221-R223 PolarHBondContact O-NH1 3.16Å; T221-P230 HydrophobicContact CG2-CB 4.08Å; T221-T232 HydrophobicContact CG2-CG2 3.74Å; T221-S243 VanDerWaalsContact CA-OG 3.26Å; T221-S243 WeakPolarHBondContact CA-OG 3.01Å; T221-S243 PolarHBondContact N-OG 3.1Å; T221-S243 PolarHBondContact OG1-N 2.95Å; T221-S243 PolarHBondContact OG1-OG 3.2Å; T221-S243 VanDerWaalsContact OG1-OG 3.1Å
222P94.2Very high90.7Very high75 Ų7552.5 Ų52.549%0.48728%0.283SS..PPolyproline II helixtrans-55.5146.6178.6-25.534.4000112.5P230 S231P222-P230 WeakPolarHBondContact O-CA 3.5Å; P222-S231 PolarHBondContact O-N 2.97Å; P222-S231 PolarHBondContact O-OG 3.01Å
223R90Very high90.1Very high47 Ų4757.4 Ų57.418%0.17732%0.315CS..BIsolated β-bridgetrans-102.2143.5177.9-59.4-58.2-172.2-113.8-2.4110.6D166 P210 F211 P219 T221 G228 M229D166-R223 IonicContact OD2-CZ 3.55Å; D166-R223 IonicContact OD2-NE 2.72Å; D166-R223 IonicContact OD2-NH2 3.56Å; D166-R223 PolarHBondContact OD2-NH2 2.61Å; P210-R223 PolarHBondContact O-NH1 3.06Å; P210-R223 PolarHBondContact O-NH2 3.3Å; F211-R223 VanDerWaalsContact CA-NH2 3.31Å; F211-R223 PolarHBondContact O-NH2 3.15Å; P219-R223 HydrophobicContact CB-CG 3.94Å; P219-R223 HydrophobicContact CG-CG 3.79Å; T221-R223 PolarHBondContact O-NH1 3.16Å; R223-G228 VanDerWaalsContact CD-O 3.27Å; R223-G228 WeakPolarHBondContact CD-O 3.36Å; R223-M229 CarbonylContact C-O 3.54Å; R223-M229 VanDerWaalsContact CA-O 3.26Å; R223-M229 WeakPolarHBondContact CA-O 3.43Å
224N88Confident89.3Confident60 Ų6062.2 Ų62.232%0.32133%0.333SS..PPolyproline II helixtrans-69.2123.6167.5178.3-49000108.4V226 T227 G228 M229N224-V226 PolarHBondContact O-N 2.88Å; N224-V226 WeakPolarHBondContact OD1-CA 3.49Å; N224-V226 WeakPolarHBondContact OD1-CB 3.43Å; N224-V226 PolarHBondContact OD1-N 2.56Å; N224-T227 WeakPolarHBondContact CB-OG1 3.46Å; N224-T227 PolarHBondContact O-N 2.87Å; N224-T227 PolarHBondContact OD1-N 3.49Å; N224-G228 WeakPolarHBondContact O-CA 3.22Å; N224-G228 PolarHBondContact O-N 2.85Å; N224-M229 PolarHBondContact N-O 2.85Å
225P83.4Confident88.3Confident106 Ų10662.9 Ų62.969%0.68835%0.349SS*.THydrogen-bonded Turntrans-68-17.6-173.527.6-35.6000113.9V89V89-P225 VanDerWaalsContact CG2-O 3.29Å; V89-P225 WeakPolarHBondContact CG2-O 3.42Å
226V83Confident87.3Confident92 Ų9265.4 Ų65.456%0.55836%0.359SS*.THydrogen-bonded Turntrans-86.1-40.3179.2-177.30000111.3F81 V89 N224F81-V226 WeakPolarHBondContact CB-O 3.42Å; V89-V226 WeakPolarHBondContact CG1-O 3.46Å; N224-V226 PolarHBondContact O-N 2.88Å; N224-V226 WeakPolarHBondContact OD1-CA 3.49Å; N224-V226 WeakPolarHBondContact OD1-CB 3.43Å; N224-V226 PolarHBondContact OD1-N 2.56Å
227T83.4Confident86.4Confident36 Ų3661.9 Ų61.922%0.22135%0.348CS..THydrogen-bonded Turntrans-104.8-18.1-173.162.30000114F81 N224 M229F81-T227 WeakPolarHBondContact CD1-O 3.48Å; F81-T227 HydrophobicContact CD2-CG2 4.36Å; F81-T227 WeakPolarHBondContact CE1-O 3.3Å; F81-T227 HydrophobicContact CE2-CG2 4.3Å; F81-T227 HydrophobicContact CZ-CG2 4.38Å; N224-T227 WeakPolarHBondContact CB-OG1 3.46Å; N224-T227 PolarHBondContact O-N 2.87Å; N224-T227 PolarHBondContact OD1-N 3.49Å; T227-M229 PolarHBondContact O-N 2.76Å; T227-M229 PolarHBondContact OG1-N 3.11Å
228G83.6Confident85.8Confident21 Ų2162.1 Ų62.122%0.21635%0.351CS..  trans71.9-3.8-172.100000114.2R223 N224R223-G228 VanDerWaalsContact CD-O 3.27Å; R223-G228 WeakPolarHBondContact CD-O 3.36Å; N224-G228 WeakPolarHBondContact O-CA 3.22Å; N224-G228 PolarHBondContact O-N 2.85Å
229M87.7Confident85.3Confident22 Ų2256.3 Ų56.311%0.10833%0.326CS..SBendtrans-79161.9178.9-57-57.8-60.500111.3H6 F211 R223 N224 T227 S231 F240H6-M229 PolarHBondContact CD2-SD 2.78Å; H6-M229 WeakPolarHBondContact NE2-CE 3.27Å; H6-M229 PolarHBondContact NE2-SD 3.48Å; F211-M229 HydrophobicContact CE1-CE 4.15Å; F211-M229 HydrophobicContact CZ-CE 3.77Å; R223-M229 CarbonylContact C-O 3.54Å; R223-M229 VanDerWaalsContact CA-O 3.26Å; R223-M229 WeakPolarHBondContact CA-O 3.43Å; N224-M229 PolarHBondContact N-O 2.85Å; T227-M229 PolarHBondContact O-N 2.76Å; T227-M229 PolarHBondContact OG1-N 3.11Å; M229-S231 PolarHBondContact O-N 2.85Å; M229-F240 HydrophobicContact CB-CE1 4.41Å; M229-F240 HydrophobicContact CB-CE2 4.26Å; M229-F240 HydrophobicContact CB-CZ 3.74Å; M229-F240 HydrophobicContact CE-CD2 4.43Å; M229-F240 HydrophobicContact CE-CE2 3.48Å; M229-F240 VanDerWaalsContact CE-CE2 3.48Å; M229-F240 HydrophobicContact CE-CZ 4.02Å; M229-F240 HydrophobicContact CG-CZ 4.35Å
230P91.7Very high85Confident3 Ų355.8 Ų55.82%0.01932%0.321CS..BIsolated β-bridgetrans-51.3134.5169.5-24.633.5000110.9P210 F211 T221 P222 T232 F240P210-P230 HydrophobicContact CB-CB 4.14Å; P210-P230 HydrophobicContact CB-CG 3.79Å; F211-P230 HydrophobicContact CD1-CG 4.14Å; F211-P230 HydrophobicContact CE1-CG 3.63Å; F211-P230 HydrophobicContact CE2-CG 4.25Å; F211-P230 HydrophobicContact CZ-CG 3.7Å; T221-P230 HydrophobicContact CG2-CB 4.08Å; P222-P230 WeakPolarHBondContact O-CA 3.5Å; P230-T232 PolarHBondContact O-N 2.9Å; P230-F240 HydrophobicContact CB-CB 3.89Å; P230-F240 HydrophobicContact CB-CD1 3.82Å; P230-F240 HydrophobicContact CB-CD2 4.36Å; P230-F240 HydrophobicContact CB-CE1 4.4Å; P230-F240 HydrophobicContact CB-CG 3.78Å; P230-F240 HydrophobicContact CG-CB 4.06Å; P230-F240 HydrophobicContact CG-CD1 4.33Å; P230-F240 HydrophobicContact CG-CD2 3.99Å; P230-F240 HydrophobicContact CG-CG 3.88Å; P230-F240 WeakPolarHBondContact O-CD1 3.21Å; P230-F240 WeakPolarHBondContact O-CE1 3.24Å
231S91.3Very high84.7Confident65 Ų6556.5 Ų56.546%0.45533%0.333SS..SBendtrans-79.3-5.6-177.866.80000113.2P222 M229P222-S231 PolarHBondContact O-N 2.97Å; P222-S231 PolarHBondContact O-OG 3.01Å; M229-S231 PolarHBondContact O-N 2.85Å
232T90.2Very high84.5Confident31 Ų3157.8 Ų57.819%0.1934%0.341CS..SBendtrans-69.7155.717946.20000111.2T221 P230 F240 A241T221-T232 HydrophobicContact CG2-CG2 3.74Å; P230-T232 PolarHBondContact O-N 2.9Å; T232-F240 VanDerWaalsContact O-CD1 3.32Å; T232-F240 WeakPolarHBondContact O-CD1 3.39Å; T232-A241 WeakPolarHBondContact CB-O 3.4Å; T232-A241 VanDerWaalsContact CG2-O 3.28Å; T232-A241 WeakPolarHBondContact CG2-O 3.49Å; T232-A241 PolarHBondContact OG1-O 2.96Å
233P84.7Confident84.6Confident103 Ų10355.1 Ų55.167%0.66932%0.324SS*.PPolyproline II helixtrans-62.3150.5173.627.3-34.3000110.3A241P233-A241 PolarHBondContact O-N 2.87Å
234R80.1Confident84.8Confident136 Ų13658.5 Ų58.551%0.51335%0.346SS..BIsolated β-bridgetrans-82.1125.7167.4-67.6178-176.3-104.38.5108.4G238 I239 F240R234-G238 WeakPolarHBondContact CD-O 3.49Å; R234-G238 WeakPolarHBondContact CG-O 3.49Å; R234-G238 PolarHBondContact NH1-O 3.01Å; R234-I239 CarbonylContact C-O 3.57Å; R234-I239 VanDerWaalsContact CA-O 3.28Å; R234-I239 WeakPolarHBondContact CA-O 3.18Å; R234-F240 HydrophobicContact CG-CD1 3.83Å; R234-F240 HydrophobicContact CG-CE1 3.74Å; R234-F240 HydrophobicContact CG-CE2 4.49Å; R234-F240 HydrophobicContact CG-CG 4.27Å; R234-F240 HydrophobicContact CG-CZ 4.1Å; R234-F240 VanDerWaalsContact NE-CZ 3.32Å
235G73.3Confident85.2Confident53 Ų5358.9 Ų58.955%0.54635%0.347SS..  trans-88.1-147.317400000112.1G238 I239G235-G238 PolarHBondContact O-N 3.35Å; G235-G238 VanDerWaalsContact O-N 3.13Å; G235-I239 PolarHBondContact N-O 2.85Å
236E69.5Low85.8Confident107 Ų10753.8 Ų53.850%0.532%0.315SS..G310 helixtrans-50.2140.3174-155.1-174.3170.500111.6G238 I239E236-G238 PolarHBondContact O-N 3.28Å; E236-I239 PolarHBondContact O-N 2.85Å
237F69.7Low86.4Confident124 Ų12450.7 Ų50.754%0.54430%0.295SS..G310 helixtrans5811.1-177.2-47.4-69.7000116.1I239F237-I239 HydrophobicContact CB-CD1 4.15Å; F237-I239 HydrophobicContact CB-CG1 4.27Å; F237-I239 HydrophobicContact CD2-CD1 4.46Å
238G77.3Confident86.9Confident21 Ų2154.9 Ų54.922%0.21631%0.307CS..G310 helixtrans80.318.9179.500000114.2R234 G235 E236R234-G238 WeakPolarHBondContact CD-O 3.49Å; R234-G238 WeakPolarHBondContact CG-O 3.49Å; R234-G238 PolarHBondContact NH1-O 3.01Å; G235-G238 PolarHBondContact O-N 3.35Å; G235-G238 VanDerWaalsContact O-N 3.13Å; E236-G238 PolarHBondContact O-N 3.28Å
239I83.1Confident87.3Confident20 Ų2059.7 Ų59.710%0.10332%0.323CS..PPolyproline II helixtrans-83.7133.5-179.3-55165.4000109.9M1 N207 R234 G235 E236 F237M1-I239 HydrophobicContact SD-CD1 4.21Å; N207-I239 WeakPolarHBondContact OD1-CD1 3.38Å; N207-I239 WeakPolarHBondContact OD1-CG1 3.41Å; N207-I239 WeakPolarHBondContact OD1-CG2 3.36Å; R234-I239 CarbonylContact C-O 3.57Å; R234-I239 VanDerWaalsContact CA-O 3.28Å; R234-I239 WeakPolarHBondContact CA-O 3.18Å; G235-I239 PolarHBondContact N-O 2.85Å; E236-I239 PolarHBondContact O-N 2.85Å; F237-I239 HydrophobicContact CB-CD1 4.15Å; F237-I239 HydrophobicContact CB-CG1 4.27Å; F237-I239 HydrophobicContact CD2-CD1 4.46Å
240F88.1Confident87.6Confident22 Ų2259.2 Ų59.210%0.09632%0.322CS..BIsolated β-bridgetrans-68143.6174.9-69.1-79.1000111.5P210 F211 M229 P230 T232 R234P210-F240 HydrophobicContact CB-CB 3.86Å; P210-F240 HydrophobicContact CG-CB 3.83Å; P210-F240 WeakPolarHBondContact CG-O 3.17Å; F211-F240 HydrophobicContact CE2-CD2 4.49Å; F211-F240 HydrophobicContact CZ-CD2 4.21Å; F211-F240 HydrophobicContact CZ-CE2 4.49Å; M229-F240 HydrophobicContact CB-CE1 4.41Å; M229-F240 HydrophobicContact CB-CE2 4.26Å; M229-F240 HydrophobicContact CB-CZ 3.74Å; M229-F240 HydrophobicContact CE-CD2 4.43Å; M229-F240 HydrophobicContact CE-CE2 3.48Å; M229-F240 VanDerWaalsContact CE-CE2 3.48Å; M229-F240 HydrophobicContact CE-CZ 4.02Å; M229-F240 HydrophobicContact CG-CZ 4.35Å; P230-F240 HydrophobicContact CB-CB 3.89Å; P230-F240 HydrophobicContact CB-CD1 3.82Å; P230-F240 HydrophobicContact CB-CD2 4.36Å; P230-F240 HydrophobicContact CB-CE1 4.4Å; P230-F240 HydrophobicContact CB-CG 3.78Å; P230-F240 HydrophobicContact CG-CB 4.06Å; P230-F240 HydrophobicContact CG-CD1 4.33Å; P230-F240 HydrophobicContact CG-CD2 3.99Å; P230-F240 HydrophobicContact CG-CG 3.88Å; P230-F240 WeakPolarHBondContact O-CD1 3.21Å; P230-F240 WeakPolarHBondContact O-CE1 3.24Å; T232-F240 VanDerWaalsContact O-CD1 3.32Å; T232-F240 WeakPolarHBondContact O-CD1 3.39Å; R234-F240 HydrophobicContact CG-CD1 3.83Å; R234-F240 HydrophobicContact CG-CE1 3.74Å; R234-F240 HydrophobicContact CG-CE2 4.49Å; R234-F240 HydrophobicContact CG-CG 4.27Å; R234-F240 HydrophobicContact CG-CZ 4.1Å; R234-F240 VanDerWaalsContact NE-CZ 3.32Å
241A89.9Confident87.8Confident43 Ų4363 Ų6336%0.35535%0.345SS..PPolyproline II helixtrans-74.9137.7168.600000110.6T232 P233T232-A241 WeakPolarHBondContact CB-O 3.4Å; T232-A241 VanDerWaalsContact CG2-O 3.28Å; T232-A241 WeakPolarHBondContact CG2-O 3.49Å; T232-A241 PolarHBondContact OG1-O 2.96Å; P233-A241 PolarHBondContact O-N 2.87Å
242P92.5Very high87.8Confident27 Ų2760.5 Ų60.518%0.17533%0.325CS..PPolyproline II helixtrans-70.6159.8167.831.3-35.9000111P210 V246 L247P210-P242 HydrophobicContact CG-CB 4.39Å; P242-V246 HydrophobicContact CB-CB 4.05Å; P242-V246 HydrophobicContact CB-CG1 4Å; P242-L247 HydrophobicContact CB-CB 4.48Å; P242-L247 HydrophobicContact CG-CB 3.77Å; P242-L247 HydrophobicContact CG-CD1 4.26Å; P242-L247 HydrophobicContact CG-CG 4.47Å
243S95.2Very high88.1Confident19 Ų1962.4 Ų62.413%0.13334%0.337CS..PPolyproline II helixtrans-73.3161.5172.346.20000113.1R220 T221 N245 V246 L247R220-S243 VanDerWaalsContact C-OG 3.24Å; R220-S243 PolarHBondContact O-OG 3.26Å; T221-S243 VanDerWaalsContact CA-OG 3.26Å; T221-S243 WeakPolarHBondContact CA-OG 3.01Å; T221-S243 PolarHBondContact N-OG 3.1Å; T221-S243 PolarHBondContact OG1-N 2.95Å; T221-S243 PolarHBondContact OG1-OG 3.2Å; T221-S243 VanDerWaalsContact OG1-OG 3.1Å; S243-N245 WeakPolarHBondContact CB-OD1 3.3Å; S243-N245 PolarHBondContact O-N 3.14Å; S243-N245 PolarHBondContact OG-OD1 2.96Å; S243-V246 PolarHBondContact O-N 2.92Å; S243-L247 PolarHBondContact O-N 3.24Å
244N95Very high88.6Confident118 Ų11857.6 Ų57.663%0.63131%0.306SS*.THydrogen-bonded Turntrans-63.4-3.9178.3-70.5-15.7000114.9L247 R248 V269N244-L247 WeakPolarHBondContact CA-O 3.46Å; N244-R248 HydrophobicContact CB-CG 4.26Å; N244-R248 WeakPolarHBondContact O-CG 3.12Å; N244-R248 PolarHBondContact O-NE 2.92Å; N244-R248 PolarHBondContact O-NH2 3.5Å; N244-V269 WeakPolarHBondContact O-CG2 3.26Å
245N95.7Very high89.4Confident67 Ų6754.9 Ų54.936%0.35830%0.298SS..THydrogen-bonded Turntrans-98.22.2171.564.6-6.2000112.7R220 S243R220-N245 PolarHBondContact O-ND2 3.45Å; R220-N245 PolarHBondContact O-OD1 2.99Å; S243-N245 WeakPolarHBondContact CB-OD1 3.3Å; S243-N245 PolarHBondContact O-N 3.14Å; S243-N245 PolarHBondContact OG-OD1 2.96Å
246V97.1Very high90.5Very high0 Ų053 Ų530%028%0.276CS..THydrogen-bonded Turntrans-110.7-55.5173174.80000109.1Y212 R220 P242 S243 F268 V269 L270Y212-V246 HydrophobicContact CD2-CG1 4.11Å; R220-V246 HydrophobicContact CB-CG2 3.65Å; R220-V246 HydrophobicContact CG-CG2 4.3Å; P242-V246 HydrophobicContact CB-CB 4.05Å; P242-V246 HydrophobicContact CB-CG1 4Å; S243-V246 PolarHBondContact O-N 2.92Å; V246-F268 HydrophobicContact CG1-CE1 4.45Å; V246-F268 WeakPolarHBondContact O-CA 3.16Å; V246-F268 WeakPolarHBondContact O-CD1 3.45Å; V246-V269 PolarHBondContact O-N 3.46Å; V246-L270 HydrophobicContact CB-CD2 4.21Å; V246-L270 HydrophobicContact CG1-CD2 4.1Å; V246-L270 HydrophobicContact CG2-CD2 4.12Å
247L94.7Very high91.6Very high27 Ų2749.8 Ų49.814%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-136.4137.3-175.9-175.4158000109.4Y209 P242 S243 N244 A267 L291 L301Y209-L247 HydrophobicContact CD2-CD1 4.36Å; P242-L247 HydrophobicContact CB-CB 4.48Å; P242-L247 HydrophobicContact CG-CB 3.77Å; P242-L247 HydrophobicContact CG-CD1 4.26Å; P242-L247 HydrophobicContact CG-CG 4.47Å; S243-L247 PolarHBondContact O-N 3.24Å; N244-L247 WeakPolarHBondContact CA-O 3.46Å; L247-A267 CarbonylContact C-O 3.51Å; L247-A267 VanDerWaalsContact CA-O 3.31Å; L247-A267 WeakPolarHBondContact CA-O 3.48Å; L247-L291 HydrophobicContact CD1-CD1 3.45Å; L247-L291 VanDerWaalsContact CD1-CD1 3.45Å; L247-L291 HydrophobicContact CG-CD1 4.18Å; L247-L301 HydrophobicContact CD1-CD2 4.49Å
248R94.6Very high92.8Very high124 Ų12448.4 Ų48.447%0.46826%0.264SS..EExtended strand (participates in β ladder)trans-128.6154.5172.9-66.9-175.4-172.8167.54.6110.5N244 G266 A267 V269N244-R248 HydrophobicContact CB-CG 4.26Å; N244-R248 WeakPolarHBondContact O-CG 3.12Å; N244-R248 PolarHBondContact O-NE 2.92Å; N244-R248 PolarHBondContact O-NH2 3.5Å; R248-G266 CarbonylContact O-C 3.53Å; R248-G266 WeakPolarHBondContact O-CA 3.02Å; R248-A267 PolarHBondContact N-O 3.01Å; R248-A267 PolarHBondContact O-N 2.72Å; R248-V269 HydrophobicContact CB-CG1 4.17Å; R248-V269 HydrophobicContact CG-CG1 4Å; R248-V269 HydrophobicContact CG-CG2 3.93Å
249E92.2Very high93.7Very high121 Ų12150 Ų5057%0.56527%0.27SS*.EExtended strand (participates in β ladder)trans-80.5120.5161.4-171.4178.288.100108.6K264 I265E249-K264 HydrophobicContact CG-CB 3.77Å; E249-K264 HydrophobicContact CG-CG 4.12Å; E249-K264 WeakPolarHBondContact OE1-CD 3.46Å; E249-K264 VanDerWaalsContact OE1-CE 3.29Å; E249-K264 WeakPolarHBondContact OE1-CE 3.22Å; E249-K264 IonicContact OE1-NZ 3.66Å; E249-K264 PolarHBondContact OE1-NZ 2.04Å; E249-I265 CarbonylContact C-O 3.23Å; E249-I265 WeakPolarHBondContact CA-O 3.37Å
250V94.3Very high94.4Very high12 Ų1253.7 Ų53.77%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-111.6149.4176.4-640000109.7K264 I265 A267V250-K264 WeakPolarHBondContact O-CA 3.25Å; V250-I265 HydrophobicContact CG2-CB 4.29Å; V250-I265 WeakPolarHBondContact CG2-O 3.3Å; V250-I265 PolarHBondContact N-O 3.41Å; V250-I265 PolarHBondContact O-N 3.47Å; V250-A267 HydrophobicContact CB-CB 4.47Å; V250-A267 HydrophobicContact CG1-CB 4.05Å; V250-A267 HydrophobicContact CG2-CB 3.57Å
251T94.2Very high94.7Very high82 Ų8254.6 Ų54.650%0.50330%0.302SS..EExtended strand (participates in β ladder)trans-100.3129-178.7-61.40000110T262 R263T251-T262 HydrophobicContact CG2-CG2 3.16Å; T251-R263 CarbonylContact C-O 3.57Å; T251-R263 WeakPolarHBondContact CA-O 3.34Å
252R93.3Very high94.9Very high13 Ų1357.4 Ų57.45%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-117.7132.3174-56.9-61.9178.2-128.27.5109.9R263 I265 D287 D290R252-R263 PolarHBondContact N-O 3.31Å; R252-R263 PolarHBondContact O-N 3.32Å; R252-I265 HydrophobicContact CB-CD1 4.23Å; R252-I265 HydrophobicContact CG-CD1 3.61Å; R252-I265 HydrophobicContact CG-CG1 4.22Å; R252-D287 IonicContact CZ-OD1 3.16Å; R252-D287 VanDerWaalsContact NH1-CG 3.29Å; R252-D287 IonicContact NH1-OD1 2.71Å; R252-D287 PolarHBondContact NH1-OD1 2.87Å; R252-D287 IonicContact NH1-OD2 3.77Å; R252-D287 PolarHBondContact NH1-OD2 3.43Å; R252-D287 IonicContact NH2-OD1 2.69Å; R252-D287 PolarHBondContact NH2-OD1 2.87Å; R252-D290 IonicContact CZ-OD1 2.87Å; R252-D290 IonicContact NE-OD1 2.74Å; R252-D290 PolarHBondContact NE-OD1 3.17Å; R252-D290 IonicContact NE-OD2 3.55Å; R252-D290 PolarHBondContact NE-OD2 2.04Å; R252-D290 IonicContact NH2-OD1 3.17Å; R252-D290 PolarHBondContact NH2-OD1 2.87Å; R252-D290 IonicContact NH2-OD2 3.35Å
253T95Very high94.8Very high71 Ų7157.3 Ų57.344%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-78.2123165.7-60.90000108.1K255 T260T253-K255 HydrophobicContact CG2-CG 4.36Å; T253-T260 HydrophobicContact CG2-CG2 4.21Å
254W95.4Very high94.6Very high3 Ų363 Ų631%0.01133%0.333CS..EExtended strand (participates in β ladder)trans-115.4117.1-175.2-172.2-96.9000110.7T260 S261 R263 D413 H416 D434W254-T260 CarbonylContact O-C 3.54Å; W254-T260 WeakPolarHBondContact O-CA 3.46Å; W254-S261 PolarHBondContact N-O 3.32Å; W254-S261 PolarHBondContact O-N 2.91Å; W254-R263 HydrophobicContact CB-CG 3.93Å; W254-R263 VanDerWaalsContact CE2-CZ 3.44Å; W254-R263 HydrophobicContact CG-CG 4.33Å; W254-D413 PolarHBondContact NE1-O 2.87Å; W254-H416 AromaticContact CZ2-CE1 3.81Å; W254-H416 AromaticContact CZ2-NE2 3.87Å; W254-D434 HydrophobicContact CH2-CB 3.74Å; W254-D434 WeakPolarHBondContact CH2-OD2 3.25Å; W254-D434 HydrophobicContact CZ2-CB 3.72Å
255K97.4Very high94.5Very high79 Ų7957.5 Ų57.534%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-116.4106.2-179.9-59.4-170-171.9154.30111.4T253 T260 S362 E365T253-K255 HydrophobicContact CG2-CG 4.36Å; K255-T260 HydrophobicContact CD-CG2 4.47Å; K255-T260 HydrophobicContact CG-CG2 3.85Å; K255-S362 VanDerWaalsContact O-CB 3.31Å; K255-S362 WeakPolarHBondContact O-CB 2.95Å; K255-S362 PolarHBondContact O-OG 3.47Å; K255-E365 HydrophobicContact CB-CB 4.22Å; K255-E365 HydrophobicContact CD-CG 4.23Å; K255-E365 WeakPolarHBondContact CE-OE1 3.41Å; K255-E365 IonicContact NZ-OE1 2.91Å; K255-E365 PolarHBondContact NZ-OE1 3.3Å
256S95.9Very high94.3Very high14 Ų1455 Ų5510%0.09829%0.294CS..  trans-85.5-174.4170.365.70000110.6M258 V259 P412 D413 Q415S256-M258 PolarHBondContact O-N 2.69Å; S256-M258 PolarHBondContact OG-N 2.94Å; S256-V259 PolarHBondContact N-O 3.45Å; S256-V259 WeakPolarHBondContact OG-CG2 3.19Å; S256-V259 PolarHBondContact OG-N 2.79Å; S256-V259 PolarHBondContact OG-O 3.02Å; S256-P412 WeakPolarHBondContact CB-O 3.41Å; S256-P412 PolarHBondContact OG-O 3.4Å; S256-D413 WeakPolarHBondContact CB-O 3.49Å; S256-Q415 WeakPolarHBondContact CB-O 3.02Å
257A93.7Very high94.3Very high39 Ų3955 Ų5532%0.32229%0.294SS..SBendtrans-66.8-23.616900000112.6Q415 T418A257-Q415 VanDerWaalsContact CB-O 3.23Å; A257-Q415 WeakPolarHBondContact CB-O 3.36Å; A257-Q415 PolarHBondContact N-O 2.99Å; A257-T418 HydrophobicContact CB-CG2 3.7Å
258M94Very high94.5Very high95 Ų9553.7 Ų53.747%0.46829%0.287SS..SBendtrans-109.6-36.4-170.5-61.8-53.7-63.500114.1S256 P412 Q415S256-M258 PolarHBondContact O-N 2.69Å; S256-M258 PolarHBondContact OG-N 2.94Å; M258-P412 HydrophobicContact CB-CB 4.12Å; M258-Q415 HydrophobicContact CG-CB 3.88Å; M258-Q415 HydrophobicContact CG-CG 4.48Å; M258-Q415 VanDerWaalsContact CG-OE1 3.28Å
259V96.4Very high94.6Very high55 Ų5548.6 Ų48.633%0.33327%0.27SS..  trans-138.7147.8-172.6-60.20000111.9S256 P412 D413S256-V259 PolarHBondContact N-O 3.45Å; S256-V259 WeakPolarHBondContact OG-CG2 3.19Å; S256-V259 PolarHBondContact OG-N 2.79Å; S256-V259 PolarHBondContact OG-O 3.02Å; V259-P412 HydrophobicContact CG1-CB 3.94Å; V259-P412 HydrophobicContact CG2-CB 4.3Å; V259-D413 HydrophobicContact CG2-CB 3.82Å
260T97.4Very high94.9Very high97 Ų9742.9 Ų42.960%0.59524%0.243SC*.EExtended strand (participates in β ladder)trans-106.2127.2162-63.90000108.1T253 W254 K255T253-T260 HydrophobicContact CG2-CG2 4.21Å; W254-T260 CarbonylContact O-C 3.54Å; W254-T260 WeakPolarHBondContact O-CA 3.46Å; K255-T260 HydrophobicContact CD-CG2 4.47Å; K255-T260 HydrophobicContact CG-CG2 3.85Å
261S94.7Very high95.1Very high40 Ų4045.9 Ų45.928%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-138.417317966.20000111.2W254W254-S261 PolarHBondContact N-O 3.32Å; W254-S261 PolarHBondContact O-N 2.91Å
262T93.2Very high95.3Very high102 Ų10244.8 Ų44.863%0.62625%0.251SS*.EExtended strand (participates in β ladder)trans-113.6120.7175-60.10000108.2T251T251-T262 HydrophobicContact CG2-CG2 3.16Å
263R91.4Very high95.6Very high25 Ų2544.2 Ų44.29%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-102.5140.7177.8-69.2-175.7174.8-169.8-2.5110.2T251 R252 W254 I265 D413 D434T251-R263 CarbonylContact C-O 3.57Å; T251-R263 WeakPolarHBondContact CA-O 3.34Å; R252-R263 PolarHBondContact N-O 3.31Å; R252-R263 PolarHBondContact O-N 3.32Å; W254-R263 HydrophobicContact CB-CG 3.93Å; W254-R263 VanDerWaalsContact CE2-CZ 3.44Å; W254-R263 HydrophobicContact CG-CG 4.33Å; R263-I265 HydrophobicContact CB-CD1 4.48Å; R263-I265 HydrophobicContact CB-CG1 4.25Å; R263-D413 IonicContact CZ-OD2 2.7Å; R263-D413 IonicContact NE-OD2 2.85Å; R263-D413 IonicContact NH2-OD2 3.84Å; R263-D413 PolarHBondContact NH2-OD2 2.95Å; R263-D434 IonicContact CZ-OD1 3.15Å; R263-D434 IonicContact NH1-OD1 2.82Å; R263-D434 PolarHBondContact NH1-OD1 2.91Å; R263-D434 IonicContact NH1-OD2 2.68Å; R263-D434 PolarHBondContact NH1-OD2 3.44Å; R263-D434 VanDerWaalsContact NH1-OD2 3.11Å; R263-D434 IonicContact NH2-OD1 3.41Å
264K91.5Very high95.7Very high138 Ų13841.7 Ų41.760%0.623%0.232SC*.EExtended strand (participates in β ladder)trans-103.4119.4170.6-78.6169.6162.6-125.80107.7E249 V250E249-K264 HydrophobicContact CG-CB 3.77Å; E249-K264 HydrophobicContact CG-CG 4.12Å; E249-K264 WeakPolarHBondContact OE1-CD 3.46Å; E249-K264 VanDerWaalsContact OE1-CE 3.29Å; E249-K264 WeakPolarHBondContact OE1-CE 3.22Å; E249-K264 IonicContact OE1-NZ 3.66Å; E249-K264 PolarHBondContact OE1-NZ 2.04Å; V250-K264 WeakPolarHBondContact O-CA 3.25Å
265I91.4Very high95.9Very high4 Ų448 Ų482%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-122.7136.5-173.1-55.2-173.9000108.4E249 V250 R252 R263 D290E249-I265 CarbonylContact C-O 3.23Å; E249-I265 WeakPolarHBondContact CA-O 3.37Å; V250-I265 HydrophobicContact CG2-CB 4.29Å; V250-I265 WeakPolarHBondContact CG2-O 3.3Å; V250-I265 PolarHBondContact N-O 3.41Å; V250-I265 PolarHBondContact O-N 3.47Å; R252-I265 HydrophobicContact CB-CD1 4.23Å; R252-I265 HydrophobicContact CG-CD1 3.61Å; R252-I265 HydrophobicContact CG-CG1 4.22Å; R263-I265 HydrophobicContact CB-CD1 4.48Å; R263-I265 HydrophobicContact CB-CG1 4.25Å; I265-D290 HydrophobicContact CG2-CB 3.95Å
266G93.2Very high95.9Very high14 Ų1446.8 Ų46.814%0.14426%0.257CS..EExtended strand (participates in β ladder)trans-73.7128169.300000109.2R248 L291R248-G266 CarbonylContact O-C 3.53Å; R248-G266 WeakPolarHBondContact O-CA 3.02Å; G266-L291 WeakPolarHBondContact O-CA 3.04Å; G266-L291 VanDerWaalsContact O-CB 3.25Å; G266-L291 WeakPolarHBondContact O-CB 3.34Å; G266-L291 PolarHBondContact O-N 3.48Å
267A96.8Very high96.1Very high0 Ų046.1 Ų46.10%025%0.252CS..EExtended strand (participates in β ladder)trans-132.6140.3-17900000111.5L247 R248 V250 V289L247-A267 CarbonylContact C-O 3.51Å; L247-A267 VanDerWaalsContact CA-O 3.31Å; L247-A267 WeakPolarHBondContact CA-O 3.48Å; R248-A267 PolarHBondContact N-O 3.01Å; R248-A267 PolarHBondContact O-N 2.72Å; V250-A267 HydrophobicContact CB-CB 4.47Å; V250-A267 HydrophobicContact CG1-CB 4.05Å; V250-A267 HydrophobicContact CG2-CB 3.57Å; A267-V289 CarbonylContact C-O 3.55Å; A267-V289 WeakPolarHBondContact CA-O 3.14Å
268F97.9Very high96.3Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-70.2132.3169.5-79.1-35.2000111.1F204 Y209 V246 L270 G288 V289 L291 F304 V331F204-F268 HydrophobicContact CE1-CE2 4.46Å; F204-F268 AromaticContact CE2-CE2 3.78Å; F204-F268 HydrophobicContact CE2-CE2 3.78Å; F204-F268 AromaticContact CZ-CE2 3.69Å; F204-F268 HydrophobicContact CZ-CE2 3.69Å; F204-F268 HydrophobicContact CZ-CZ 4.35Å; Y209-F268 HydrophobicContact CD1-CE1 4.13Å; Y209-F268 AromaticContact CD1-CZ 3.98Å; Y209-F268 HydrophobicContact CD1-CZ 3.98Å; Y209-F268 AromaticContact CD2-CE1 3.84Å; Y209-F268 HydrophobicContact CD2-CE1 3.84Å; Y209-F268 HydrophobicContact CD2-CZ 4.15Å; Y209-F268 HydrophobicContact CE1-CE1 4.09Å; Y209-F268 AromaticContact CE1-CZ 3.52Å; Y209-F268 HydrophobicContact CE1-CZ 3.52Å; Y209-F268 AromaticContact CE2-CE1 3.79Å; Y209-F268 HydrophobicContact CE2-CE1 3.79Å; Y209-F268 AromaticContact CE2-CZ 3.69Å; Y209-F268 HydrophobicContact CE2-CZ 3.69Å; Y209-F268 HydrophobicContact CG-CE1 4.03Å; Y209-F268 HydrophobicContact CG-CZ 4.3Å; Y209-F268 AromaticContact CZ-CE1 3.96Å; Y209-F268 AromaticContact CZ-CZ 3.39Å; V246-F268 HydrophobicContact CG1-CE1 4.45Å; V246-F268 WeakPolarHBondContact O-CA 3.16Å; V246-F268 WeakPolarHBondContact O-CD1 3.45Å; F268-L270 HydrophobicContact CD1-CD1 4.1Å; F268-L270 HydrophobicContact CD2-CD1 4.48Å; F268-L270 HydrophobicContact CE1-CD1 4.37Å; F268-L270 HydrophobicContact CG-CD1 4.17Å; F268-G288 CarbonylContact O-C 3.5Å; F268-G288 WeakPolarHBondContact O-CA 3.25Å; F268-V289 HydrophobicContact CB-CB 4.4Å; F268-V289 PolarHBondContact N-O 3.31Å; F268-V289 PolarHBondContact O-N 3.24Å; F268-L291 HydrophobicContact CD1-CD1 4.08Å; F268-L291 HydrophobicContact CD2-CD2 3.73Å; F268-L291 HydrophobicContact CD2-CG 4.49Å; F268-L291 HydrophobicContact CE1-CD1 4.04Å; F268-L291 HydrophobicContact CE2-CD2 3.66Å; F268-L291 HydrophobicContact CG-CD1 4.36Å; F268-L291 HydrophobicContact CG-CD2 4.21Å; F268-L291 HydrophobicContact CZ-CD1 4.3Å; F268-L291 HydrophobicContact CZ-CD2 4.09Å; F268-F304 AromaticContact CD2-CE1 3.79Å; F268-F304 HydrophobicContact CD2-CE1 3.79Å; F268-F304 HydrophobicContact CD2-CZ 4.49Å; F268-F304 HydrophobicContact CE2-CE1 4.14Å; F268-V331 HydrophobicContact CD2-CG2 4.13Å; F268-V331 HydrophobicContact CE2-CG1 4.18Å; F268-V331 HydrophobicContact CE2-CG2 4.01Å; F268-V331 HydrophobicContact CZ-CG1 4.47Å
269V98.1Very high96.6Very high17 Ų1748.9 Ų48.910%0.10326%0.264CS..  trans-117.724.6173.9-60.90000111.4N244 V246 R248 D287N244-V269 WeakPolarHBondContact O-CG2 3.26Å; V246-V269 PolarHBondContact O-N 3.46Å; R248-V269 HydrophobicContact CB-CG1 4.17Å; R248-V269 HydrophobicContact CG-CG1 4Å; R248-V269 HydrophobicContact CG-CG2 3.93Å; V269-D287 WeakPolarHBondContact CG1-O 3.5Å
270L98.5Very high96.7Very high0 Ų047.1 Ų47.10%025%0.252CS..  trans-65.4132.5176.3-66.1169.4000109.6Y212 V246 F268 K272 T273 L274 V331 D334Y212-L270 HydrophobicContact CD2-CD1 4.1Å; Y212-L270 HydrophobicContact CD2-CD2 4.23Å; Y212-L270 HydrophobicContact CE2-CD1 3.88Å; V246-L270 HydrophobicContact CB-CD2 4.21Å; V246-L270 HydrophobicContact CG1-CD2 4.1Å; V246-L270 HydrophobicContact CG2-CD2 4.12Å; F268-L270 HydrophobicContact CD1-CD1 4.1Å; F268-L270 HydrophobicContact CD2-CD1 4.48Å; F268-L270 HydrophobicContact CE1-CD1 4.37Å; F268-L270 HydrophobicContact CG-CD1 4.17Å; L270-K272 PolarHBondContact O-N 3.44Å; L270-T273 PolarHBondContact O-N 3.27Å; L270-L274 VanDerWaalsContact O-CB 3.31Å; L270-L274 WeakPolarHBondContact O-CB 3.04Å; L270-L274 PolarHBondContact O-N 2.98Å; L270-V331 HydrophobicContact CD1-CG1 4.36Å; L270-D334 HydrophobicContact CB-CB 3.81Å; L270-D334 VanDerWaalsContact CB-OD2 3.26Å; L270-D334 WeakPolarHBondContact CB-OD2 3.31Å; L270-D334 HydrophobicContact CD1-CB 4.04Å; L270-D334 HydrophobicContact CD2-CB 4.17Å; L270-D334 HydrophobicContact CG-CB 4.23Å
271P98.2Very high96.7Very high75 Ų7542.5 Ų42.549%0.48722%0.224SC..Hα-helixtrans-55.6-53.5-166.9-27.833.6000115.2E275P271-E275 VanDerWaalsContact O-CB 3.29Å; P271-E275 WeakPolarHBondContact O-CB 3.42Å; P271-E275 PolarHBondContact O-N 3.46Å
272K98.2Very high96.9Very high60 Ų6045.6 Ų45.626%0.26124%0.237SC..Hα-helixtrans-74.4-34.4-176-64.3173.9178.5170.60111.4D215 L270 E275 F276 Q333 D334D215-K272 IonicContact OD1-NZ 2.91Å; D215-K272 PolarHBondContact OD1-NZ 2.94Å; D215-K272 IonicContact OD2-NZ 3.47Å; D215-K272 PolarHBondContact OD2-NZ 3.14Å; L270-K272 PolarHBondContact O-N 3.44Å; K272-E275 PolarHBondContact O-N 3.36Å; K272-F276 WeakPolarHBondContact O-CB 3.35Å; K272-F276 PolarHBondContact O-N 2.93Å; K272-Q333 HydrophobicContact CD-CB 4.33Å; K272-Q333 HydrophobicContact CD-CG 3.4Å; K272-Q333 VanDerWaalsContact CD-CG 3.4Å; K272-D334 WeakPolarHBondContact CA-OD2 3.41Å; K272-D334 WeakPolarHBondContact CB-OD2 3.49Å; K272-D334 PolarHBondContact N-OD1 3.27Å; K272-D334 PolarHBondContact N-OD2 3.18Å
273T98.6Very high97.2Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-61.7-47.2174.8-51.70000110.8L270 A277 V289 L327 S330 V331 D334L270-T273 PolarHBondContact O-N 3.27Å; T273-A277 WeakPolarHBondContact O-CB 3.43Å; T273-A277 PolarHBondContact O-N 3.4Å; T273-V289 HydrophobicContact CG2-CG2 4.12Å; T273-L327 HydrophobicContact CG2-CD1 3.93Å; T273-S330 PolarHBondContact OG1-O 2.83Å; T273-V331 HydrophobicContact CG2-CG2 3.69Å; T273-V331 PolarHBondContact OG1-N 3.42Å; T273-D334 PolarHBondContact N-OD2 2.91Å; T273-D334 PolarHBondContact OG1-OD2 3.31Å
274L98.6Very high97.5Very high18 Ų1844.5 Ų44.59%0.09424%0.237CC..Hα-helixtrans-70.7-39.2178.2-175.856.4000111.9L270 A277 R278 L286 V289L270-L274 VanDerWaalsContact O-CB 3.31Å; L270-L274 WeakPolarHBondContact O-CB 3.04Å; L270-L274 PolarHBondContact O-N 2.98Å; L274-A277 PolarHBondContact O-N 3.07Å; L274-R278 HydrophobicContact CD1-CG 4.31Å; L274-R278 HydrophobicContact CG-CG 4.46Å; L274-R278 WeakPolarHBondContact O-CB 3.4Å; L274-R278 WeakPolarHBondContact O-CG 3.32Å; L274-R278 PolarHBondContact O-N 3.46Å; L274-L286 HydrophobicContact CD1-CB 4.39Å; L274-L286 HydrophobicContact CD1-CD2 4.21Å; L274-L286 HydrophobicContact CD1-CG 4.07Å; L274-V289 HydrophobicContact CD1-CG2 4.43Å
275E98.7Very high97.8Very high135 Ų13542.2 Ų42.263%0.63124%0.238SC*.Hα-helixtrans-59-48.7173.6-179.4178.7-164.700111.6P271 K272 A277 R278 S279P271-E275 VanDerWaalsContact O-CB 3.29Å; P271-E275 WeakPolarHBondContact O-CB 3.42Å; P271-E275 PolarHBondContact O-N 3.46Å; K272-E275 PolarHBondContact O-N 3.36Å; E275-A277 PolarHBondContact O-N 3.45Å; E275-R278 PolarHBondContact O-N 2.87Å; E275-S279 PolarHBondContact O-N 2.89Å
276F98.7Very high98.1Very high55 Ų5542.1 Ų42.124%0.24124%0.238CC..Hα-helixtrans-57-50.1175.8-178.7-83.7000110.9K272 R278 S279 H280 G326 L327 W348K272-F276 WeakPolarHBondContact O-CB 3.35Å; K272-F276 PolarHBondContact O-N 2.93Å; F276-R278 PolarHBondContact O-N 3.07Å; F276-S279 PolarHBondContact O-N 3.02Å; F276-H280 HydrophobicContact CD1-CB 4.29Å; F276-H280 HydrophobicContact CE1-CB 3.95Å; F276-H280 HydrophobicContact CZ-CB 4.47Å; F276-H280 VanDerWaalsContact O-CB 3.26Å; F276-H280 WeakPolarHBondContact O-CB 3.26Å; F276-H280 PolarHBondContact O-N 3.13Å; F276-G326 VanDerWaalsContact CE2-CA 3.49Å; F276-L327 HydrophobicContact CD1-CB 3.77Å; F276-L327 HydrophobicContact CD1-CD1 3.91Å; F276-L327 HydrophobicContact CD1-CG 4.46Å; F276-L327 HydrophobicContact CE1-CB 3.71Å; F276-W348 HydrophobicContact CE1-CE3 4.34Å; F276-W348 HydrophobicContact CE1-CZ3 4.43Å
277A98.8Very high98.3Very high0 Ų044.9 Ų44.90%025%0.249CC..Hα-helixtrans-61.8-43.8-179.200000112.5T273 L274 E275 S279 H280 F281 L286 V289 L327T273-A277 WeakPolarHBondContact O-CB 3.43Å; T273-A277 PolarHBondContact O-N 3.4Å; L274-A277 PolarHBondContact O-N 3.07Å; E275-A277 PolarHBondContact O-N 3.45Å; A277-S279 VanDerWaalsContact C-N 3.32Å; A277-S279 PolarHBondContact O-N 3.36Å; A277-H280 PolarHBondContact O-N 3.24Å; A277-F281 HydrophobicContact CB-CD2 4.09Å; A277-F281 HydrophobicContact CB-CE2 4.1Å; A277-F281 WeakPolarHBondContact O-CB 3.43Å; A277-F281 WeakPolarHBondContact O-CD2 3.42Å; A277-F281 PolarHBondContact O-N 3.18Å; A277-L286 HydrophobicContact CB-CD2 3.83Å; A277-V289 HydrophobicContact CB-CG2 3.48Å; A277-V289 VanDerWaalsContact CB-CG2 3.48Å; A277-L327 HydrophobicContact CB-CD1 4.16Å
278R98.8Very high98.4Very high97 Ų9744.9 Ų44.937%0.36625%0.249SC..Hα-helixtrans-58-45.6176.9-75.9173.2171.4179.1-3.7111.8L274 E275 F276 N282 C283 S284 L286L274-R278 HydrophobicContact CD1-CG 4.31Å; L274-R278 HydrophobicContact CG-CG 4.46Å; L274-R278 WeakPolarHBondContact O-CB 3.4Å; L274-R278 WeakPolarHBondContact O-CG 3.32Å; L274-R278 PolarHBondContact O-N 3.46Å; E275-R278 PolarHBondContact O-N 2.87Å; F276-R278 PolarHBondContact O-N 3.07Å; R278-N282 WeakPolarHBondContact O-CA 3.44Å; R278-N282 PolarHBondContact O-N 2.93Å; R278-N282 VanDerWaalsContact O-N 3.14Å; R278-C283 VanDerWaalsContact CG-O 3.32Å; R278-C283 WeakPolarHBondContact CG-O 3.37Å; R278-C283 PolarHBondContact O-N 3.47Å; R278-S284 PolarHBondContact NE-O 3.18Å; R278-L286 HydrophobicContact CG-CB 3.88Å; R278-L286 VanDerWaalsContact CZ-O 3.23Å; R278-L286 PolarHBondContact NE-O 3.3Å; R278-L286 PolarHBondContact NH2-O 3.44Å
279S98.8Very high98.4Very high95 Ų9545 Ų4566%0.66425%0.25SC*.Hα-helixtrans-66.3-51.7177.8-176.10000111.3E275 F276 A277 F281 N282E275-S279 PolarHBondContact O-N 2.89Å; F276-S279 PolarHBondContact O-N 3.02Å; A277-S279 VanDerWaalsContact C-N 3.32Å; A277-S279 PolarHBondContact O-N 3.36Å; S279-F281 PolarHBondContact O-N 3.19Å; S279-N282 PolarHBondContact O-N 3.32Å; S279-N282 VanDerWaalsContact O-N 3.17Å
280H98.7Very high98.3Very high17 Ų1744.2 Ų44.28%0.07925%0.245CC..Hα-helixtrans-59.6-51.3-176.8-179.985.7000112.6F276 A277 N282 W348 W350 K352 N353F276-H280 HydrophobicContact CD1-CB 4.29Å; F276-H280 HydrophobicContact CE1-CB 3.95Å; F276-H280 HydrophobicContact CZ-CB 4.47Å; F276-H280 VanDerWaalsContact O-CB 3.26Å; F276-H280 WeakPolarHBondContact O-CB 3.26Å; F276-H280 PolarHBondContact O-N 3.13Å; A277-H280 PolarHBondContact O-N 3.24Å; H280-N282 VanDerWaalsContact C-N 3.26Å; H280-N282 PolarHBondContact O-N 2.76Å; H280-W348 AromaticContact CD2-CE3 3.78Å; H280-W348 AromaticContact CD2-CZ3 3.41Å; H280-W348 VanDerWaalsContact CD2-CZ3 3.41Å; H280-W348 WeakPolarHBondContact CD2-CZ3 3.34Å; H280-W348 AromaticContact CE1-CD2 3.82Å; H280-W348 AromaticContact CE1-CE3 3.27Å; H280-W348 AromaticContact CE1-CZ3 3.76Å; H280-W348 PolarHBondContact CE1-O 2.74Å; H280-W348 VanDerWaalsContact CE1-O 3.25Å; H280-W348 AromaticContact ND1-CE3 3.87Å; H280-W348 AromaticContact NE2-CD2 3.81Å; H280-W348 AromaticContact NE2-CE3 3.23Å; H280-W348 AromaticContact NE2-CH2 3.8Å; H280-W348 AromaticContact NE2-CZ3 3.24Å; H280-W348 WeakPolarHBondContact NE2-CZ3 3.42Å; H280-W350 PolarHBondContact NE2-O 3.29Å; H280-K352 CarbonylContact O-C 3.38Å; H280-K352 VanDerWaalsContact O-CA 3.28Å; H280-K352 WeakPolarHBondContact O-CA 3.04Å; H280-N353 PolarHBondContact O-N 3.42Å
281F98.6Very high98.1Very high1 Ų144.2 Ų44.20%0.00425%0.245CC..Hα-helixtrans-78.1-9.4-180-63.1-61000113.3A277 S279 C283 L286 V308 W348 G351 L354 G355 F358 V359A277-F281 HydrophobicContact CB-CD2 4.09Å; A277-F281 HydrophobicContact CB-CE2 4.1Å; A277-F281 WeakPolarHBondContact O-CB 3.43Å; A277-F281 WeakPolarHBondContact O-CD2 3.42Å; A277-F281 PolarHBondContact O-N 3.18Å; S279-F281 PolarHBondContact O-N 3.19Å; F281-C283 HydrophobicContact CB-CB 4.45Å; F281-L286 HydrophobicContact CD2-CD2 4.32Å; F281-V308 HydrophobicContact CE1-CG1 4.26Å; F281-V308 HydrophobicContact CE2-CG1 4Å; F281-V308 HydrophobicContact CZ-CG1 3.54Å; F281-W348 AromaticContact CE1-CH2 3.97Å; F281-W348 HydrophobicContact CE1-CH2 3.97Å; F281-W348 AromaticContact CZ-CH2 3.67Å; F281-W348 HydrophobicContact CZ-CH2 3.67Å; F281-W348 HydrophobicContact CZ-CZ3 4.19Å; F281-G351 WeakPolarHBondContact CD1-O 3.16Å; F281-L354 PolarHBondContact O-N 3.1Å; F281-G355 VanDerWaalsContact O-CA 3.29Å; F281-G355 WeakPolarHBondContact O-CA 3.37Å; F281-G355 PolarHBondContact O-N 2.82Å; F281-F358 HydrophobicContact CD1-CD1 4.23Å; F281-F358 HydrophobicContact CD1-CE1 4.25Å; F281-F358 HydrophobicContact CE1-CD1 4.43Å; F281-F358 HydrophobicContact CE1-CE1 4.02Å; F281-V359 HydrophobicContact CB-CG2 3.55Å; F281-V359 HydrophobicContact CD1-CG2 3.66Å; F281-V359 HydrophobicContact CD2-CG2 3.67Å; F281-V359 HydrophobicContact CE1-CG2 4.25Å; F281-V359 HydrophobicContact CE2-CG2 4.25Å; F281-V359 HydrophobicContact CG-CG2 3.35Å
282N98.5Very high97.8Very high105 Ų10540.6 Ų40.656%0.56122%0.222SC*.THydrogen-bonded Turntrans54.450.2-167.9-169.728.7000112.3R278 S279 H280 N353R278-N282 WeakPolarHBondContact O-CA 3.44Å; R278-N282 PolarHBondContact O-N 2.93Å; R278-N282 VanDerWaalsContact O-N 3.14Å; S279-N282 PolarHBondContact O-N 3.32Å; S279-N282 VanDerWaalsContact O-N 3.17Å; H280-N282 VanDerWaalsContact C-N 3.26Å; H280-N282 PolarHBondContact O-N 2.76Å; N282-N353 HydrophobicContact CB-CB 4.41Å
283C98.6Very high96.8Very high1 Ų140.3 Ų40.31%0.00722%0.223CC..  trans-130.685.3177.3-179.20000110.2R278 F281 S285 L286 C356R278-C283 VanDerWaalsContact CG-O 3.32Å; R278-C283 WeakPolarHBondContact CG-O 3.37Å; R278-C283 PolarHBondContact O-N 3.47Å; F281-C283 HydrophobicContact CB-CB 4.45Å; C283-S285 PolarHBondContact O-N 3Å; C283-L286 HydrophobicContact CB-CB 4.33Å; C283-L286 VanDerWaalsContact O-CB 3.32Å; C283-L286 WeakPolarHBondContact O-CB 3.44Å; C283-L286 PolarHBondContact O-N 3.2Å; C283-L286 VanDerWaalsContact O-N 3.15Å; C283-C356 WeakPolarHBondContact CA-SG 3.24Å; C283-C356 HydrophobicContact CB-CB 4Å; C283-C356 WeakPolarHBondContact CB-SG 3.21Å; C283-C356 WeakPolarHBondContact SG-CA 3.39Å; C283-C356 WeakPolarHBondContact SG-CB 3.39Å; C283-C356 CovalentContact SG-SG 2.04Å; C283-C356 PolarHBondContact SG-SG 3.44Å
284S98.1Very high95.1Very high103 Ų10342.7 Ų42.772%0.7224%0.235SC*.THydrogen-bonded Turntrans-62.4-28.3-176.958.10000113.9R278 L286R278-S284 PolarHBondContact NE-O 3.18Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.44Å
285S97.9Very high93.1Very high89 Ų8944.5 Ų44.562%0.62226%0.258SS*.THydrogen-bonded Turntrans-84.62.7178.9630000114.2C283 D287 C356C283-S285 PolarHBondContact O-N 3Å; S285-D287 PolarHBondContact O-N 3.33Å; S285-C356 PolarHBondContact OG-SG 3.33Å; S285-C356 VanDerWaalsContact OG-SG 3.38Å
286L98.4Very high90.8Very high2 Ų241.5 Ų41.51%0.0125%0.251CS..  trans-57.5127.1178.7-173.163.4000109.9L274 A277 R278 F281 C283 S284 G288 V359 T360L274-L286 HydrophobicContact CD1-CB 4.39Å; L274-L286 HydrophobicContact CD1-CD2 4.21Å; L274-L286 HydrophobicContact CD1-CG 4.07Å; A277-L286 HydrophobicContact CB-CD2 3.83Å; R278-L286 HydrophobicContact CG-CB 3.88Å; R278-L286 VanDerWaalsContact CZ-O 3.23Å; R278-L286 PolarHBondContact NE-O 3.3Å; R278-L286 PolarHBondContact NH2-O 3.44Å; F281-L286 HydrophobicContact CD2-CD2 4.32Å; C283-L286 HydrophobicContact CB-CB 4.33Å; C283-L286 VanDerWaalsContact O-CB 3.32Å; C283-L286 WeakPolarHBondContact O-CB 3.44Å; C283-L286 PolarHBondContact O-N 3.2Å; C283-L286 VanDerWaalsContact O-N 3.15Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.44Å; L286-G288 WeakPolarHBondContact CD1-O 3.25Å; L286-G288 VanDerWaalsContact CG-O 3.3Å; L286-G288 WeakPolarHBondContact CG-O 3.48Å; L286-V359 HydrophobicContact CD1-CB 4.41Å; L286-V359 HydrophobicContact CD1-CG1 3.65Å; L286-V359 HydrophobicContact CD2-CG1 4.32Å; L286-T360 HydrophobicContact CD1-CG2 4.2Å
287D96.9Very high88.5Confident72 Ų7240 Ų4039%0.38525%0.251SS..  trans-98-8.2-172.760.2-5.3000113.6R252 V269 S285R252-D287 IonicContact CZ-OD1 3.16Å; R252-D287 VanDerWaalsContact NH1-CG 3.29Å; R252-D287 IonicContact NH1-OD1 2.71Å; R252-D287 PolarHBondContact NH1-OD1 2.87Å; R252-D287 IonicContact NH1-OD2 3.77Å; R252-D287 PolarHBondContact NH1-OD2 3.43Å; R252-D287 IonicContact NH2-OD1 2.69Å; R252-D287 PolarHBondContact NH2-OD1 2.87Å; V269-D287 WeakPolarHBondContact CG1-O 3.5Å; S285-D287 PolarHBondContact O-N 3.33Å
288G98Very high86.2Confident0 Ų042.1 Ų42.10%027%0.269CS..  trans-179.7163.9175.400000111.7F268 L286F268-G288 CarbonylContact O-C 3.5Å; F268-G288 WeakPolarHBondContact O-CA 3.25Å; L286-G288 WeakPolarHBondContact CD1-O 3.25Å; L286-G288 VanDerWaalsContact CG-O 3.3Å; L286-G288 WeakPolarHBondContact CG-O 3.48Å
289V98Very high83.9Confident2 Ų239.1 Ų39.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-96111.9171.6-174.90000108.7A267 F268 T273 L274 A277 L291 F304 L327A267-V289 CarbonylContact C-O 3.55Å; A267-V289 WeakPolarHBondContact CA-O 3.14Å; F268-V289 HydrophobicContact CB-CB 4.4Å; F268-V289 PolarHBondContact N-O 3.31Å; F268-V289 PolarHBondContact O-N 3.24Å; T273-V289 HydrophobicContact CG2-CG2 4.12Å; L274-V289 HydrophobicContact CD1-CG2 4.43Å; A277-V289 HydrophobicContact CB-CG2 3.48Å; A277-V289 VanDerWaalsContact CB-CG2 3.48Å; V289-L291 PolarHBondContact O-N 2.88Å; V289-F304 HydrophobicContact CB-CE1 4.43Å; V289-F304 HydrophobicContact CG1-CD1 3.71Å; V289-F304 HydrophobicContact CG1-CE1 3.65Å; V289-L327 HydrophobicContact CG1-CD1 4.25Å; V289-L327 HydrophobicContact CG1-CD2 4.29Å; V289-L327 HydrophobicContact CG2-CD1 4.31Å
290D95.9Very high82.2Confident1 Ų135.7 Ų35.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-59.4132.4-174.5-65.95000110.9R252 I265 E305R252-D290 IonicContact CZ-OD1 2.87Å; R252-D290 IonicContact NE-OD1 2.74Å; R252-D290 PolarHBondContact NE-OD1 3.17Å; R252-D290 IonicContact NE-OD2 3.55Å; R252-D290 PolarHBondContact NE-OD2 2.04Å; R252-D290 IonicContact NH2-OD1 3.17Å; R252-D290 PolarHBondContact NH2-OD1 2.87Å; R252-D290 IonicContact NH2-OD2 3.35Å; I265-D290 HydrophobicContact CG2-CB 3.95Å; D290-E305 HydrophobicContact CB-CB 3.71Å; D290-E305 HydrophobicContact CB-CG 4.23Å; D290-E305 WeakPolarHBondContact O-CB 3.13Å; D290-E305 PolarHBondContact O-N 3.35Å
291L94.8Very high81.1Confident0 Ų036.6 Ų36.60%024%0.244CC..BIsolated β-bridgetrans-100.8151.1172.8-61.2172.1000109.3F204 L247 G266 F268 V289 N293 L301 H303 F304F204-L291 HydrophobicContact CZ-CD2 4.31Å; L247-L291 HydrophobicContact CD1-CD1 3.45Å; L247-L291 VanDerWaalsContact CD1-CD1 3.45Å; L247-L291 HydrophobicContact CG-CD1 4.18Å; G266-L291 WeakPolarHBondContact O-CA 3.04Å; G266-L291 VanDerWaalsContact O-CB 3.25Å; G266-L291 WeakPolarHBondContact O-CB 3.34Å; G266-L291 PolarHBondContact O-N 3.48Å; F268-L291 HydrophobicContact CD1-CD1 4.08Å; F268-L291 HydrophobicContact CD2-CD2 3.73Å; F268-L291 HydrophobicContact CD2-CG 4.49Å; F268-L291 HydrophobicContact CE1-CD1 4.04Å; F268-L291 HydrophobicContact CE2-CD2 3.66Å; F268-L291 HydrophobicContact CG-CD1 4.36Å; F268-L291 HydrophobicContact CG-CD2 4.21Å; F268-L291 HydrophobicContact CZ-CD1 4.3Å; F268-L291 HydrophobicContact CZ-CD2 4.09Å; V289-L291 PolarHBondContact O-N 2.88Å; L291-N293 PolarHBondContact O-N 3.03Å; L291-L301 HydrophobicContact CB-CD2 3.98Å; L291-L301 HydrophobicContact CD1-CB 4.44Å; L291-L301 HydrophobicContact CD1-CD2 4.15Å; L291-H303 WeakPolarHBondContact CA-O 3.31Å; L291-H303 WeakPolarHBondContact CB-O 3.23Å; L291-H303 WeakPolarHBondContact CD2-O 3.43Å; L291-F304 HydrophobicContact CD2-CD1 3.97Å; L291-F304 HydrophobicContact CD2-CE1 4.42Å
292E91.3Very high80.4Confident0 Ų036.9 Ų36.90%025%0.246CC..PPolyproline II helixtrans-55.9127.6-178.9-176.252.4-97.900111E294 T299 A300 L301 H303 K306 L432E292-E294 WeakPolarHBondContact OE1-CA 3.49Å; E292-E294 VanDerWaalsContact OE1-CB 3.27Å; E292-E294 WeakPolarHBondContact OE1-CB 3.35Å; E292-E294 PolarHBondContact OE1-N 3.21Å; E292-T299 HydrophobicContact CG-CG2 4.41Å; E292-A300 CarbonylContact O-C 3.56Å; E292-A300 WeakPolarHBondContact O-CA 3.25Å; E292-L301 PolarHBondContact O-N 3.49Å; E292-H303 HydrophobicContact CB-CB 4.05Å; E292-H303 PolarHBondContact N-O 3.09Å; E292-K306 PolarHBondContact OE2-N 2.79Å; E292-L432 HydrophobicContact CG-CD2 4.27Å
293N78.2Confident80.2Confident54 Ų5432.8 Ų32.829%0.28922%0.223SC..  trans-109-8178.763.2-100.4000113.3L291 E305L291-N293 PolarHBondContact O-N 3.03Å; N293-E305 PolarHBondContact OD1-OE2 3.28Å
294E63.4Low80.1Confident50 Ų5032.8 Ų32.823%0.23422%0.223CC..SBendtrans-91.4161.1175.4-65.6-73.515000112.6E292 K414 L432E292-E294 WeakPolarHBondContact OE1-CA 3.49Å; E292-E294 VanDerWaalsContact OE1-CB 3.27Å; E292-E294 WeakPolarHBondContact OE1-CB 3.35Å; E292-E294 PolarHBondContact OE1-N 3.21Å; E294-K414 WeakPolarHBondContact OE1-CE 3.21Å; E294-K414 IonicContact OE1-NZ 3.71Å; E294-K414 PolarHBondContact OE1-NZ 2.99Å; E294-K414 IonicContact OE2-NZ 3.53Å; E294-K414 PolarHBondContact OE2-NZ 3.03Å; E294-L432 HydrophobicContact CB-CD2 4.08Å
295G55.4Low80Confident56 Ų5627.9 Ų27.958%0.57719%0.189SC*.SBendtrans93.6-170.6176.900000114.4
296S51.6Low79.8Confident71 Ų7123.7 Ų23.750%0.49716%0.159SC..SBendtrans-67.2167.6-179.771.50000111.1A298 T299 A300S296-A298 PolarHBondContact O-N 3.35Å; S296-A298 PolarHBondContact OG-N 3.49Å; S296-T299 PolarHBondContact N-OG1 3.01Å; S296-T299 PolarHBondContact O-N 2.86Å; S296-T299 PolarHBondContact OG-OG1 2.76Å; S296-A300 PolarHBondContact O-N 3.03Å
297G49.5Very low79.6Confident23 Ų2323.8 Ų23.824%0.23716%0.159CC..THydrogen-bonded Turntrans-55.8-15.5172.100000114.4R206R206-G297 PolarHBondContact NH1-O 3.14Å; R206-G297 VanDerWaalsContact NH1-O 3.11Å
298A49.9Very low79.6Confident45 Ų4520.4 Ų20.437%0.37214%0.141SC..THydrogen-bonded Turntrans-85.5-20.2172.300000114.4M1 S296 T302M1-A298 HydrophobicContact CE-CB 4Å; S296-A298 PolarHBondContact O-N 3.35Å; S296-A298 PolarHBondContact OG-N 3.49Å; A298-T302 VanDerWaalsContact O-CG2 3.28Å; A298-T302 WeakPolarHBondContact O-CG2 3.36Å; A298-T302 PolarHBondContact O-OG1 2.89Å
299T51.8Low79.5Confident35 Ų3520.4 Ų20.422%0.21514%0.141CC..THydrogen-bonded Turntrans-95.3-38.3-180-44.70000111.6E292 S296 L301 T302 H303E292-T299 HydrophobicContact CG-CG2 4.41Å; S296-T299 PolarHBondContact N-OG1 3.01Å; S296-T299 PolarHBondContact O-N 2.86Å; S296-T299 PolarHBondContact OG-OG1 2.76Å; T299-L301 PolarHBondContact O-N 3.29Å; T299-T302 VanDerWaalsContact C-OG1 3.31Å; T299-T302 WeakPolarHBondContact CA-OG1 3.26Å; T299-T302 PolarHBondContact O-N 3.5Å; T299-T302 PolarHBondContact O-OG1 3.46Å; T299-H303 PolarHBondContact O-ND1 2.92Å
300A62.1Low79.4Confident22 Ų2220.7 Ų20.718%0.18214%0.143CC..THydrogen-bonded Turntrans-65.4130.517900000110.8E292 S296 T302E292-A300 CarbonylContact O-C 3.56Å; E292-A300 WeakPolarHBondContact O-CA 3.25Å; S296-A300 PolarHBondContact O-N 3.03Å; A300-T302 PolarHBondContact O-N 3.44Å
301L75.3Confident79.3Confident36 Ų3621.2 Ų21.219%0.18815%0.146CC..THydrogen-bonded Turntrans65.14.4-178-47.7174.7000115.8R206 Y209 L247 L291 E292 T299R206-L301 HydrophobicContact CG-CB 4.41Å; Y209-L301 VanDerWaalsContact CE2-O 3.23Å; Y209-L301 WeakPolarHBondContact CE2-O 3.25Å; Y209-L301 PolarHBondContact OH-O 3.36Å; L247-L301 HydrophobicContact CD1-CD2 4.49Å; L291-L301 HydrophobicContact CB-CD2 3.98Å; L291-L301 HydrophobicContact CD1-CB 4.44Å; L291-L301 HydrophobicContact CD1-CD2 4.15Å; E292-L301 PolarHBondContact O-N 3.49Å; T299-L301 PolarHBondContact O-N 3.29Å
302T85.8Confident79.4Confident7 Ų721.2 Ų21.24%0.04315%0.146CC..THydrogen-bonded Turntrans-93-7.9175.8490000113.2M1 H200 F204 R206 A298 T299 A300M1-T302 HydrophobicContact CE-CG2 4.14Å; H200-T302 PolarHBondContact CE1-O 3.26Å; H200-T302 VanDerWaalsContact CE1-O 3.24Å; F204-T302 VanDerWaalsContact CD1-O 3.26Å; F204-T302 WeakPolarHBondContact CD1-O 3.19Å; F204-T302 WeakPolarHBondContact CE1-O 3.46Å; R206-T302 HydrophobicContact CB-CG2 3.71Å; A298-T302 VanDerWaalsContact O-CG2 3.28Å; A298-T302 WeakPolarHBondContact O-CG2 3.36Å; A298-T302 PolarHBondContact O-OG1 2.89Å; T299-T302 VanDerWaalsContact C-OG1 3.31Å; T299-T302 WeakPolarHBondContact CA-OG1 3.26Å; T299-T302 PolarHBondContact O-N 3.5Å; T299-T302 PolarHBondContact O-OG1 3.46Å; A300-T302 PolarHBondContact O-N 3.44Å
303H93.7Very high79.7Confident20 Ų2021.2 Ų21.29%0.09315%0.146CC..SBendtrans-135.4163.5-178.8-54.898.5000110.6H196 H200 L291 E292 T299 M314H196-H303 AromaticContact CE1-CD2 3.6Å; H196-H303 AromaticContact CE1-NE2 3.81Å; H196-H303 AromaticContact NE2-CD2 3.81Å; H196-H303 AromaticContact NE2-NE2 3.54Å; H200-H303 AromaticContact CE1-CD2 3.74Å; H200-H303 AromaticContact CE1-NE2 3.53Å; H200-H303 AromaticContact NE2-CD2 3.79Å; H200-H303 AromaticContact NE2-NE2 3.26Å; H200-H303 PolarHBondContact NE2-NE2 3.15Å; L291-H303 WeakPolarHBondContact CA-O 3.31Å; L291-H303 WeakPolarHBondContact CB-O 3.23Å; L291-H303 WeakPolarHBondContact CD2-O 3.43Å; E292-H303 HydrophobicContact CB-CB 4.05Å; E292-H303 PolarHBondContact N-O 3.09Å; T299-H303 PolarHBondContact O-ND1 2.92Å; H303-M314 WeakPolarHBondContact CA-O 3.44Å; H303-M314 WeakPolarHBondContact CB-O 3.42Å
304F96.2Very high80.6Confident0 Ų018.7 Ų18.70%013%0.132CC..BIsolated β-bridgetrans-69.3150.9162.4-69.1-57.9000111.2F204 F268 V289 L291 K306 V309 M314 L327 V331F204-F304 HydrophobicContact CE2-CD1 4.5Å; F204-F304 HydrophobicContact CE2-CD2 4.06Å; F204-F304 HydrophobicContact CE2-CE1 4.02Å; F204-F304 AromaticContact CE2-CE2 3.5Å; F204-F304 HydrophobicContact CE2-CE2 3.5Å; F204-F304 AromaticContact CE2-CZ 3.49Å; F204-F304 HydrophobicContact CE2-CZ 3.49Å; F204-F304 VanDerWaalsContact CE2-CZ 3.49Å; F204-F304 HydrophobicContact CZ-CD1 4.14Å; F204-F304 HydrophobicContact CZ-CD2 4.03Å; F204-F304 HydrophobicContact CZ-CE1 4.06Å; F204-F304 AromaticContact CZ-CE2 3.93Å; F204-F304 HydrophobicContact CZ-CE2 3.93Å; F204-F304 HydrophobicContact CZ-CG 4.13Å; F204-F304 AromaticContact CZ-CZ 3.96Å; F204-F304 HydrophobicContact CZ-CZ 3.96Å; F268-F304 AromaticContact CD2-CE1 3.79Å; F268-F304 HydrophobicContact CD2-CE1 3.79Å; F268-F304 HydrophobicContact CD2-CZ 4.49Å; F268-F304 HydrophobicContact CE2-CE1 4.14Å; V289-F304 HydrophobicContact CB-CE1 4.43Å; V289-F304 HydrophobicContact CG1-CD1 3.71Å; V289-F304 HydrophobicContact CG1-CE1 3.65Å; L291-F304 HydrophobicContact CD2-CD1 3.97Å; L291-F304 HydrophobicContact CD2-CE1 4.42Å; F304-K306 PolarHBondContact O-N 3.49Å; F304-K306 VanDerWaalsContact O-N 3.14Å; F304-V309 HydrophobicContact CB-CB 4.25Å; F304-V309 HydrophobicContact CB-CG1 3.73Å; F304-V309 HydrophobicContact CB-CG2 3.56Å; F304-V309 HydrophobicContact CG-CG1 4.2Å; F304-M314 HydrophobicContact CD2-CB 3.82Å; F304-M314 HydrophobicContact CE2-CB 4.08Å; F304-M314 PolarHBondContact N-O 3.14Å; F304-L327 HydrophobicContact CD1-CD2 4.48Å; F304-L327 HydrophobicContact CD2-CD2 4.11Å; F304-L327 HydrophobicContact CE1-CD2 4.23Å; F304-L327 HydrophobicContact CE1-CG 4.27Å; F304-L327 HydrophobicContact CE2-CD2 3.85Å; F304-L327 HydrophobicContact CE2-CG 3.83Å; F304-L327 HydrophobicContact CG-CD2 4.42Å; F304-L327 HydrophobicContact CZ-CD1 4.33Å; F304-L327 HydrophobicContact CZ-CD2 3.91Å; F304-L327 HydrophobicContact CZ-CG 3.64Å; F304-V331 HydrophobicContact CE1-CG2 4.43Å; F304-V331 HydrophobicContact CZ-CG2 3.74Å
305E94.9Very high82Confident1 Ų116.3 Ų16.31%0.00512%0.121CC..  trans-57.9112.7174.6171.346.5-11900110.6D290 N293 R307 V308 V309D290-E305 HydrophobicContact CB-CB 3.71Å; D290-E305 HydrophobicContact CB-CG 4.23Å; D290-E305 WeakPolarHBondContact O-CB 3.13Å; D290-E305 PolarHBondContact O-N 3.35Å; N293-E305 PolarHBondContact OD1-OE2 3.28Å; E305-R307 VanDerWaalsContact C-N 3.29Å; E305-R307 HydrophobicContact CG-CB 4.29Å; E305-R307 PolarHBondContact O-N 2.49Å; E305-R307 WeakPolarHBondContact OE1-CB 3.39Å; E305-R307 PolarHBondContact OE1-N 2.02Å; E305-V308 HydrophobicContact CB-CB 4.33Å; E305-V308 HydrophobicContact CB-CG2 4.28Å; E305-V308 HydrophobicContact CG-CB 4.22Å; E305-V308 HydrophobicContact CG-CG2 3.81Å; E305-V308 WeakPolarHBondContact O-CB 3.5Å; E305-V308 PolarHBondContact O-N 3.4Å; E305-V309 WeakPolarHBondContact O-CG2 3.35Å; E305-V309 PolarHBondContact O-N 3.01Å
306K94.1Very high83.6Confident0 Ų014.5 Ų14.50%010%0.102CC..Hα-helixtrans-66.1-30-170.6179.3173.6-170.186.30112.3E292 F304 V308 V309 N310 S315 S317 E319 L432 H433E292-K306 PolarHBondContact OE2-N 2.79Å; F304-K306 PolarHBondContact O-N 3.49Å; F304-K306 VanDerWaalsContact O-N 3.14Å; K306-V308 PolarHBondContact O-N 2.75Å; K306-V309 PolarHBondContact O-N 3.41Å; K306-N310 PolarHBondContact NZ-O 3.32Å; K306-N310 VanDerWaalsContact NZ-O 3.13Å; K306-N310 WeakPolarHBondContact O-CA 3.16Å; K306-N310 PolarHBondContact O-N 3.29Å; K306-S315 VanDerWaalsContact CG-OG 3.3Å; K306-S315 WeakPolarHBondContact CG-OG 3.3Å; K306-S315 PolarHBondContact NZ-OG 2.94Å; K306-S317 WeakPolarHBondContact CD-OG 3.35Å; K306-S317 WeakPolarHBondContact CE-OG 3.04Å; K306-S317 PolarHBondContact NZ-O 2.78Å; K306-S317 PolarHBondContact NZ-OG 2.99Å; K306-E319 WeakPolarHBondContact CE-OE1 3.4Å; K306-E319 IonicContact NZ-OE1 3.9Å; K306-E319 PolarHBondContact NZ-OE1 2.84Å; K306-L432 HydrophobicContact CB-CB 3.84Å; K306-L432 WeakPolarHBondContact CB-O 3.39Å; K306-L432 HydrophobicContact CD-CB 3.66Å; K306-L432 HydrophobicContact CD-CD1 4.09Å; K306-L432 HydrophobicContact CG-CB 4.26Å; K306-H433 WeakPolarHBondContact CE-CE1 3.38Å
307R94.8Very high85.2Confident4 Ų413.1 Ų13.12%0.0159%0.093CC..Hα-helixtrans-58.5-36.9172.1-173.7-167.263.674.61.2112E305 F358 V359 K361 W380E305-R307 VanDerWaalsContact C-N 3.29Å; E305-R307 HydrophobicContact CG-CB 4.29Å; E305-R307 PolarHBondContact O-N 2.49Å; E305-R307 WeakPolarHBondContact OE1-CB 3.39Å; E305-R307 PolarHBondContact OE1-N 2.02Å; R307-F358 PolarHBondContact NH1-O 3.43Å; R307-V359 PolarHBondContact NH2-O 2.82Å; R307-K361 PolarHBondContact NH1-O 3.47Å; R307-W380 HydrophobicContact CB-CH2 4.44Å; R307-W380 HydrophobicContact CG-CH2 3.52Å; R307-W380 HydrophobicContact CG-CZ2 3.72Å; R307-W380 WeakPolarHBondContact O-CH2 3.44Å
308V96.3Very high86.8Confident1 Ų113.9 Ų13.91%0.0069%0.093CC..Hα-helixtrans-80.3-40.8-178.4174.40000111F281 E305 K306 W350 V359F281-V308 HydrophobicContact CE1-CG1 4.26Å; F281-V308 HydrophobicContact CE2-CG1 4Å; F281-V308 HydrophobicContact CZ-CG1 3.54Å; E305-V308 HydrophobicContact CB-CB 4.33Å; E305-V308 HydrophobicContact CB-CG2 4.28Å; E305-V308 HydrophobicContact CG-CB 4.22Å; E305-V308 HydrophobicContact CG-CG2 3.81Å; E305-V308 WeakPolarHBondContact O-CB 3.5Å; E305-V308 PolarHBondContact O-N 3.4Å; K306-V308 PolarHBondContact O-N 2.75Å; V308-W350 PolarHBondContact O-NE1 3.36Å; V308-V359 HydrophobicContact CG1-CG1 4.04Å; V308-V359 HydrophobicContact CG2-CG1 4.43Å
309V96.3Very high88.5Confident0 Ų012.8 Ų12.80%08%0.08CC..Hα-helixtrans-107.1-20-169.5-540000116F304 E305 K306 D311 E312 L327 W348F304-V309 HydrophobicContact CB-CB 4.25Å; F304-V309 HydrophobicContact CB-CG1 3.73Å; F304-V309 HydrophobicContact CB-CG2 3.56Å; F304-V309 HydrophobicContact CG-CG1 4.2Å; E305-V309 WeakPolarHBondContact O-CG2 3.35Å; E305-V309 PolarHBondContact O-N 3.01Å; K306-V309 PolarHBondContact O-N 3.41Å; V309-D311 PolarHBondContact O-N 2.97Å; V309-E312 HydrophobicContact CB-CB 3.68Å; V309-E312 HydrophobicContact CB-CG 4.46Å; V309-E312 HydrophobicContact CG2-CB 3.99Å; V309-E312 PolarHBondContact O-N 2.87Å; V309-L327 HydrophobicContact CG1-CD2 3.89Å; V309-W348 HydrophobicContact CB-CH2 4.22Å; V309-W348 HydrophobicContact CB-CZ2 4.02Å; V309-W348 HydrophobicContact CG1-CH2 4.18Å; V309-W348 HydrophobicContact CG1-CZ2 4.49Å; V309-W348 VanDerWaalsContact O-CZ2 3.26Å; V309-W348 WeakPolarHBondContact O-CZ2 3.34Å
310N95.4Very high90.1Very high9 Ų912 Ų125%0.0488%0.075CC..THydrogen-bonded Turntrans46.9-85.3178.3-176.356.4000116K306 S315 W350 H433 L438K306-N310 PolarHBondContact NZ-O 3.32Å; K306-N310 VanDerWaalsContact NZ-O 3.13Å; K306-N310 WeakPolarHBondContact O-CA 3.16Å; K306-N310 PolarHBondContact O-N 3.29Å; N310-S315 WeakPolarHBondContact O-CB 2.95Å; N310-S315 PolarHBondContact O-OG 3.06Å; N310-W350 HydrophobicContact CB-CD2 3.44Å; N310-W350 VanDerWaalsContact CB-CD2 3.44Å; N310-W350 HydrophobicContact CB-CE3 3.96Å; N310-W350 HydrophobicContact CB-CG 3.75Å; N310-W350 HydrophobicContact CB-CH2 4.23Å; N310-W350 HydrophobicContact CB-CZ2 3.76Å; N310-W350 HydrophobicContact CB-CZ3 4.31Å; N310-H433 PolarHBondContact OD1-NE2 2.96Å; N310-L438 WeakPolarHBondContact OD1-CD1 3.49Å
311D95.2Very high90.9Very high12 Ų1212.6 Ų12.66%0.0648%0.077CC..THydrogen-bonded Turntrans-98.48.7-173.564.3-26.7000113.4V309 E319 L322 T323 W348 W350V309-D311 PolarHBondContact O-N 2.97Å; D311-E319 HydrophobicContact CB-CB 4.3Å; D311-E319 HydrophobicContact CB-CG 4.19Å; D311-L322 CarbonylContact O-C 3.56Å; D311-L322 WeakPolarHBondContact O-CA 3.33Å; D311-T323 PolarHBondContact O-N 3.2Å; D311-W348 PolarHBondContact OD1-NE1 2.72Å; D311-W350 WeakPolarHBondContact OD1-CB 3.31Å
312E97.3Very high91.7Very high0 Ų011.1 Ų11.10%07%0.069CC..BIsolated β-bridgetrans-71.3147174.3-150.1-74150.200112V309 M314 S315 S325 L327 T328 W348V309-E312 HydrophobicContact CB-CB 3.68Å; V309-E312 HydrophobicContact CB-CG 4.46Å; V309-E312 HydrophobicContact CG2-CB 3.99Å; V309-E312 PolarHBondContact O-N 2.87Å; E312-M314 VanDerWaalsContact C-N 3.34Å; E312-M314 PolarHBondContact O-N 2.92Å; E312-M314 PolarHBondContact OE2-N 3.15Å; E312-S315 WeakPolarHBondContact O-CB 3.21Å; E312-S315 PolarHBondContact O-N 3.32Å; E312-S325 VanDerWaalsContact CD-OG 3.31Å; E312-S325 VanDerWaalsContact CG-OG 3.24Å; E312-S325 WeakPolarHBondContact CG-OG 3.42Å; E312-S325 WeakPolarHBondContact OE1-CB 3.29Å; E312-S325 PolarHBondContact OE1-N 2.77Å; E312-S325 PolarHBondContact OE1-OG 3.33Å; E312-L327 HydrophobicContact CG-CB 4.48Å; E312-L327 HydrophobicContact CG-CD2 4.39Å; E312-T328 VanDerWaalsContact OE1-CB 3.25Å; E312-T328 WeakPolarHBondContact OE1-CB 3.3Å; E312-T328 PolarHBondContact OE1-N 3.35Å; E312-T328 PolarHBondContact OE1-OG1 3.05Å; E312-T328 PolarHBondContact OE2-OG1 3.2Å; E312-W348 HydrophobicContact CB-CZ2 4.03Å; E312-W348 HydrophobicContact CG-CD2 4.13Å; E312-W348 HydrophobicContact CG-CE3 4.36Å; E312-W348 HydrophobicContact CG-CH2 4.42Å; E312-W348 HydrophobicContact CG-CZ2 4.19Å; E312-W348 HydrophobicContact CG-CZ3 4.5Å
313L97.1Very high92.1Very high0 Ų011.8 Ų11.80%07%0.073CC..THydrogen-bonded Turntrans-47.2-46.4-175.9177.762.2000115.2W54 I195 H196 S315 L322 T323 I324 T328W54-L313 HydrophobicContact CH2-CD2 4.18Å; W54-L313 HydrophobicContact CZ2-CD2 4.07Å; I195-L313 HydrophobicContact CB-CD1 4.31Å; I195-L313 HydrophobicContact CG2-CD1 3.84Å; I195-L313 HydrophobicContact CG2-CD2 3.92Å; H196-L313 HydrophobicContact CB-CD1 3.97Å; H196-L313 PolarHBondContact ND1-O 2.94Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-L322 HydrophobicContact CB-CD2 3.92Å; L313-L322 HydrophobicContact CD1-CD1 4.28Å; L313-L322 HydrophobicContact CD1-CD2 3.49Å; L313-L322 VanDerWaalsContact CD1-CD2 3.49Å; L313-L322 HydrophobicContact CD1-CG 4.48Å; L313-L322 HydrophobicContact CG-CD2 4.32Å; L313-T323 PolarHBondContact N-O 3.35Å; L313-I324 HydrophobicContact CD2-CG1 4.19Å; L313-I324 HydrophobicContact CD2-CG2 4.1Å; L313-T328 HydrophobicContact CD2-CG2 3.98Å
314M96Very high92.2Very high0 Ų011.1 Ų11.10%07%0.07CC..THydrogen-bonded Turntrans-98.826-177.1-58.5-57.5-49.200112.7H200 F204 H303 F304 E312 T328H200-M314 WeakPolarHBondContact CE1-CE 3.47Å; H200-M314 WeakPolarHBondContact ND1-CE 3.25Å; F204-M314 HydrophobicContact CB-CE 3.83Å; F204-M314 HydrophobicContact CB-CG 4.37Å; F204-M314 HydrophobicContact CB-SD 4.34Å; F204-M314 HydrophobicContact CD1-CB 4.35Å; F204-M314 HydrophobicContact CD1-CE 3.74Å; F204-M314 HydrophobicContact CD1-CG 4.43Å; F204-M314 HydrophobicContact CD2-CB 4.06Å; F204-M314 HydrophobicContact CD2-CG 3.77Å; F204-M314 HydrophobicContact CE1-CB 4.24Å; F204-M314 HydrophobicContact CE1-CE 4.5Å; F204-M314 HydrophobicContact CE2-CB 3.89Å; F204-M314 HydrophobicContact CE2-CG 4.1Å; F204-M314 HydrophobicContact CG-CB 4.28Å; F204-M314 HydrophobicContact CG-CE 3.8Å; F204-M314 HydrophobicContact CG-CG 3.94Å; F204-M314 HydrophobicContact CG-SD 4.42Å; F204-M314 HydrophobicContact CZ-CB 4Å; H303-M314 WeakPolarHBondContact CA-O 3.44Å; H303-M314 WeakPolarHBondContact CB-O 3.42Å; F304-M314 HydrophobicContact CD2-CB 3.82Å; F304-M314 HydrophobicContact CE2-CB 4.08Å; F304-M314 PolarHBondContact N-O 3.14Å; E312-M314 VanDerWaalsContact C-N 3.34Å; E312-M314 PolarHBondContact O-N 2.92Å; E312-M314 PolarHBondContact OE2-N 3.15Å; M314-T328 HydrophobicContact CG-CG2 3.54Å; M314-T328 VanDerWaalsContact CG-OG1 3.25Å; M314-T328 WeakPolarHBondContact CG-OG1 3.44Å; M314-T328 HydrophobicContact SD-CG2 4.44Å
315S94.3Very high92.3Very high1 Ų111.1 Ų11.11%0.0077%0.07CC..BIsolated β-bridgetrans-65.7149.3164.8-175.90000111.1H196 K306 N310 E312 L313 S317H196-S315 PolarHBondContact CE1-O 3.49Å; H196-S315 VanDerWaalsContact CE1-O 3.32Å; K306-S315 VanDerWaalsContact CG-OG 3.3Å; K306-S315 WeakPolarHBondContact CG-OG 3.3Å; K306-S315 PolarHBondContact NZ-OG 2.94Å; N310-S315 WeakPolarHBondContact O-CB 2.95Å; N310-S315 PolarHBondContact O-OG 3.06Å; E312-S315 WeakPolarHBondContact O-CB 3.21Å; E312-S315 PolarHBondContact O-N 3.32Å; L313-S315 VanDerWaalsContact C-N 3.33Å; S315-S317 PolarHBondContact O-N 2.97Å
316G87.8Confident92.4Very high17 Ų1711.2 Ų11.218%0.1757%0.072CC..SBendtrans-66.8-1-174.400000116.5L432G316-L432 WeakPolarHBondContact O-CD1 3.16Å
317S86Confident92.6Very high43 Ų4311.2 Ų11.230%0.3017%0.072SC..SBendtrans-154.6148.9168.463.30000111.5K306 S315 E319K306-S317 WeakPolarHBondContact CD-OG 3.35Å; K306-S317 WeakPolarHBondContact CE-OG 3.04Å; K306-S317 PolarHBondContact NZ-O 2.78Å; K306-S317 PolarHBondContact NZ-OG 2.99Å; S315-S317 PolarHBondContact O-N 2.97Å; S317-E319 PolarHBondContact O-N 3.06Å
318V83Confident92.8Very high39 Ų3911 Ų1124%0.2367%0.071CC..  trans-77.3121.7-177.9179.40000110.8V189 L322V189-V318 HydrophobicContact CG1-CB 4.43Å; V189-V318 HydrophobicContact CG1-CG1 3.89Å; V318-L322 HydrophobicContact CB-CD1 4.42Å; V318-L322 HydrophobicContact CG1-CD1 4.04Å; V318-L322 HydrophobicContact CG2-CD1 4.27Å
319E85.9Confident92.9Very high22 Ų2211 Ų1110%0.1037%0.071CC..  trans-83.7157.9171-67.9-58.114100111.7K306 D311 S317 S321 L322 Q440K306-E319 WeakPolarHBondContact CE-OE1 3.4Å; K306-E319 IonicContact NZ-OE1 3.9Å; K306-E319 PolarHBondContact NZ-OE1 2.84Å; D311-E319 HydrophobicContact CB-CB 4.3Å; D311-E319 HydrophobicContact CB-CG 4.19Å; S317-E319 PolarHBondContact O-N 3.06Å; E319-S321 PolarHBondContact O-N 2.79Å; E319-L322 PolarHBondContact O-N 3.03Å; E319-Q440 PolarHBondContact OE2-NE2 3.29Å
320L84.7Confident93.1Very high19 Ų1911.2 Ų11.210%0.0997%0.072CC..THydrogen-bonded Turntrans-56.9-33.2175.3179.771.9000112.7P185 A441 T451 V453P185-L320 HydrophobicContact CB-CD1 3.5Å; P185-L320 VanDerWaalsContact CB-CD1 3.5Å; P185-L320 HydrophobicContact CG-CD1 4.25Å; L320-A441 HydrophobicContact CD2-CB 4.4Å; L320-T451 HydrophobicContact CD1-CG2 3.78Å; L320-T451 HydrophobicContact CD2-CG2 3.56Å; L320-T451 HydrophobicContact CG-CG2 4.26Å; L320-V453 HydrophobicContact CD2-CG2 3.52Å; L320-V453 HydrophobicContact CG-CG2 4.19Å
321S79.9Confident93.2Very high34 Ų3410.8 Ų10.824%0.2387%0.07CC..THydrogen-bonded Turntrans-12270174.9-64.70000109.9E319E319-S321 PolarHBondContact O-N 2.79Å
322L90.3Very high93.4Very high5 Ų510.2 Ų10.23%0.0267%0.067CC..  trans-70.6142.1173.1-176.1151.9000111Y192 D311 L313 V318 E319Y192-L322 HydrophobicContact CD1-CB 4.24Å; Y192-L322 HydrophobicContact CD1-CD2 3.4Å; Y192-L322 VanDerWaalsContact CD1-CD2 3.4Å; Y192-L322 HydrophobicContact CD1-CG 4.39Å; Y192-L322 HydrophobicContact CE1-CD2 4.07Å; Y192-L322 HydrophobicContact CG-CB 4.12Å; Y192-L322 HydrophobicContact CG-CD2 4.03Å; D311-L322 CarbonylContact O-C 3.56Å; D311-L322 WeakPolarHBondContact O-CA 3.33Å; L313-L322 HydrophobicContact CB-CD2 3.92Å; L313-L322 HydrophobicContact CD1-CD1 4.28Å; L313-L322 HydrophobicContact CD1-CD2 3.49Å; L313-L322 VanDerWaalsContact CD1-CD2 3.49Å; L313-L322 HydrophobicContact CD1-CG 4.48Å; L313-L322 HydrophobicContact CG-CD2 4.32Å; V318-L322 HydrophobicContact CB-CD1 4.42Å; V318-L322 HydrophobicContact CG1-CD1 4.04Å; V318-L322 HydrophobicContact CG2-CD1 4.27Å; E319-L322 PolarHBondContact O-N 3.03Å
323T94.4Very high93.4Very high20 Ų2010.9 Ų10.912%0.1237%0.07CC..BIsolated β-bridgetrans-121126.8-177.1-54.80000111.3D311 L313 S325 Q346 W348D311-T323 PolarHBondContact O-N 3.2Å; L313-T323 PolarHBondContact N-O 3.35Å; T323-S325 PolarHBondContact O-N 2.92Å; T323-Q346 HydrophobicContact CG2-CB 3.59Å; T323-W348 HydrophobicContact CG2-CB 3.75Å; T323-W348 HydrophobicContact CG2-CG 4.32Å
324I96.1Very high93.5Very high6 Ų610.9 Ų10.93%0.0317%0.07CC..  trans-81.397.3172.7-53.8178.3000108.2F53 Y192 I195 L313 A345 Q346F53-I324 HydrophobicContact CD1-CD1 4.31Å; F53-I324 HydrophobicContact CD2-CD1 3.77Å; F53-I324 HydrophobicContact CE1-CD1 4.06Å; F53-I324 HydrophobicContact CE1-CG2 4.25Å; F53-I324 HydrophobicContact CE2-CD1 3.49Å; F53-I324 VanDerWaalsContact CE2-CD1 3.49Å; F53-I324 HydrophobicContact CE2-CG2 3.73Å; F53-I324 HydrophobicContact CG-CD1 4.19Å; F53-I324 HydrophobicContact CZ-CB 4.41Å; F53-I324 HydrophobicContact CZ-CD1 3.68Å; F53-I324 HydrophobicContact CZ-CG1 4.46Å; F53-I324 HydrophobicContact CZ-CG2 3.33Å; Y192-I324 HydrophobicContact CE1-CD1 4.27Å; Y192-I324 HydrophobicContact CE1-CG1 4.21Å; I195-I324 HydrophobicContact CD1-CD1 4.15Å; I195-I324 HydrophobicContact CG2-CD1 4.1Å; L313-I324 HydrophobicContact CD2-CG1 4.19Å; L313-I324 HydrophobicContact CD2-CG2 4.1Å; I324-A345 CarbonylContact O-C 3.43Å; I324-A345 WeakPolarHBondContact O-CA 3.22Å; I324-Q346 HydrophobicContact CB-CG 4.48Å; I324-Q346 PolarHBondContact O-N 2.91Å
325S97.7Very high93.6Very high0 Ų010.9 Ų10.90%07%0.07CC..  trans-94.6166.8-174.387.20000112.9E312 T323 L327 L329 W348E312-S325 VanDerWaalsContact CD-OG 3.31Å; E312-S325 VanDerWaalsContact CG-OG 3.24Å; E312-S325 WeakPolarHBondContact CG-OG 3.42Å; E312-S325 WeakPolarHBondContact OE1-CB 3.29Å; E312-S325 PolarHBondContact OE1-N 2.77Å; E312-S325 PolarHBondContact OE1-OG 3.33Å; T323-S325 PolarHBondContact O-N 2.92Å; S325-L327 PolarHBondContact O-N 2.87Å; S325-L327 WeakPolarHBondContact OG-CB 3.3Å; S325-L327 PolarHBondContact OG-N 3.08Å; S325-L329 PolarHBondContact O-N 3.23Å; S325-W348 VanDerWaalsContact CB-CB 3.46Å
326G98.4Very high93.7Very high3 Ų311.1 Ų11.13%0.0317%0.073CC..Hα-helixtrans-60.9-16.9167.600000113.5F276 S330F276-G326 VanDerWaalsContact CE2-CA 3.49Å; G326-S330 VanDerWaalsContact O-CB 3.25Å; G326-S330 WeakPolarHBondContact O-CB 3.26Å; G326-S330 PolarHBondContact O-N 3.23Å; G326-S330 PolarHBondContact O-OG 3.23Å
327L98.7Very high94.1Very high0 Ų010.6 Ų10.60%07%0.066CC..Hα-helixtrans-66.6-54.8177.7-174.765.5000111.4T273 F276 A277 V289 F304 V309 E312 S325 L329 S330 V331 W348T273-L327 HydrophobicContact CG2-CD1 3.93Å; F276-L327 HydrophobicContact CD1-CB 3.77Å; F276-L327 HydrophobicContact CD1-CD1 3.91Å; F276-L327 HydrophobicContact CD1-CG 4.46Å; F276-L327 HydrophobicContact CE1-CB 3.71Å; A277-L327 HydrophobicContact CB-CD1 4.16Å; V289-L327 HydrophobicContact CG1-CD1 4.25Å; V289-L327 HydrophobicContact CG1-CD2 4.29Å; V289-L327 HydrophobicContact CG2-CD1 4.31Å; F304-L327 HydrophobicContact CD1-CD2 4.48Å; F304-L327 HydrophobicContact CD2-CD2 4.11Å; F304-L327 HydrophobicContact CE1-CD2 4.23Å; F304-L327 HydrophobicContact CE1-CG 4.27Å; F304-L327 HydrophobicContact CE2-CD2 3.85Å; F304-L327 HydrophobicContact CE2-CG 3.83Å; F304-L327 HydrophobicContact CG-CD2 4.42Å; F304-L327 HydrophobicContact CZ-CD1 4.33Å; F304-L327 HydrophobicContact CZ-CD2 3.91Å; F304-L327 HydrophobicContact CZ-CG 3.64Å; V309-L327 HydrophobicContact CG1-CD2 3.89Å; E312-L327 HydrophobicContact CG-CB 4.48Å; E312-L327 HydrophobicContact CG-CD2 4.39Å; S325-L327 PolarHBondContact O-N 2.87Å; S325-L327 WeakPolarHBondContact OG-CB 3.3Å; S325-L327 PolarHBondContact OG-N 3.08Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 2.93Å; L327-S330 WeakPolarHBondContact O-CB 3.39Å; L327-S330 PolarHBondContact O-N 3.26Å; L327-V331 PolarHBondContact O-N 3.48Å; L327-W348 HydrophobicContact CB-CZ3 4.47Å; L327-W348 HydrophobicContact CD2-CH2 4.33Å; L327-W348 HydrophobicContact CD2-CZ3 4.18Å
328T98.6Very high94.7Very high0 Ų08.6 Ų8.60%05%0.051CC..Hα-helixtrans-59.3-46.3175.1-73.50000111.3W54 E312 L313 M314 S330 V331 F332W54-T328 HydrophobicContact CH2-CG2 4.42Å; E312-T328 VanDerWaalsContact OE1-CB 3.25Å; E312-T328 WeakPolarHBondContact OE1-CB 3.3Å; E312-T328 PolarHBondContact OE1-N 3.35Å; E312-T328 PolarHBondContact OE1-OG1 3.05Å; E312-T328 PolarHBondContact OE2-OG1 3.2Å; L313-T328 HydrophobicContact CD2-CG2 3.98Å; M314-T328 HydrophobicContact CG-CG2 3.54Å; M314-T328 VanDerWaalsContact CG-OG1 3.25Å; M314-T328 WeakPolarHBondContact CG-OG1 3.44Å; M314-T328 HydrophobicContact SD-CG2 4.44Å; T328-S330 VanDerWaalsContact C-N 3.27Å; T328-S330 PolarHBondContact O-N 3.21Å; T328-V331 WeakPolarHBondContact O-CB 3.47Å; T328-V331 PolarHBondContact O-N 3.27Å; T328-F332 HydrophobicContact CG2-CD2 4.06Å; T328-F332 HydrophobicContact CG2-CE2 3.69Å; T328-F332 VanDerWaalsContact O-CD2 3.32Å; T328-F332 WeakPolarHBondContact O-CD2 3.42Å; T328-F332 PolarHBondContact O-N 3.39Å
329L98.7Very high95.4Very high0 Ų08.9 Ų8.90%05%0.052CC..Hα-helixtrans-60.1-36.3179.3-72.5-170.5000112.5F53 W54 A57 S325 L327 V331 F332 Q333 V340 F342 A345F53-L329 HydrophobicContact CZ-CD2 4.47Å; W54-L329 HydrophobicContact CZ3-CD2 4.44Å; A57-L329 HydrophobicContact CB-CD2 4.26Å; S325-L329 PolarHBondContact O-N 3.23Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 2.93Å; L329-V331 VanDerWaalsContact C-N 3.3Å; L329-V331 PolarHBondContact O-N 3.42Å; L329-F332 PolarHBondContact O-N 3.01Å; L329-Q333 PolarHBondContact O-N 2.6Å; L329-V340 HydrophobicContact CB-CG1 3.73Å; L329-V340 HydrophobicContact CD1-CG1 4.07Å; L329-V340 HydrophobicContact CD2-CG1 3.88Å; L329-V340 HydrophobicContact CG-CG1 4.09Å; L329-F342 HydrophobicContact CB-CD1 4.11Å; L329-F342 HydrophobicContact CB-CE1 3.85Å; L329-A345 HydrophobicContact CD1-CB 4Å
330S98.7Very high95.9Very high5 Ų58.6 Ų8.64%0.0355%0.051CC..Hα-helixtrans-61.9-33.2173.3-760000113.4T273 G326 L327 T328 Q333 D334 F342T273-S330 PolarHBondContact OG1-O 2.83Å; G326-S330 VanDerWaalsContact O-CB 3.25Å; G326-S330 WeakPolarHBondContact O-CB 3.26Å; G326-S330 PolarHBondContact O-N 3.23Å; G326-S330 PolarHBondContact O-OG 3.23Å; L327-S330 WeakPolarHBondContact O-CB 3.39Å; L327-S330 PolarHBondContact O-N 3.26Å; T328-S330 VanDerWaalsContact C-N 3.27Å; T328-S330 PolarHBondContact O-N 3.21Å; S330-Q333 PolarHBondContact O-N 3.48Å; S330-D334 WeakPolarHBondContact O-CB 3.24Å; S330-D334 PolarHBondContact O-N 2.82Å; S330-F342 WeakPolarHBondContact OG-CE1 3.39Å
331V98.7Very high96.6Very high0 Ų010.5 Ų10.50%06%0.062CC..Hα-helixtrans-65.9-41.8174.3178.10000110.9F204 Y212 F268 L270 T273 F304 L327 T328 L329 Q333 D334 S335F204-V331 HydrophobicContact CD2-CB 4.12Å; F204-V331 HydrophobicContact CD2-CG1 3.82Å; F204-V331 HydrophobicContact CD2-CG2 4.25Å; F204-V331 HydrophobicContact CE2-CB 4.33Å; F204-V331 HydrophobicContact CE2-CG1 4.19Å; F204-V331 HydrophobicContact CE2-CG2 3.96Å; Y212-V331 HydrophobicContact CE2-CG1 4.07Å; Y212-V331 WeakPolarHBondContact OH-CG1 3.32Å; F268-V331 HydrophobicContact CD2-CG2 4.13Å; F268-V331 HydrophobicContact CE2-CG1 4.18Å; F268-V331 HydrophobicContact CE2-CG2 4.01Å; F268-V331 HydrophobicContact CZ-CG1 4.47Å; L270-V331 HydrophobicContact CD1-CG1 4.36Å; T273-V331 HydrophobicContact CG2-CG2 3.69Å; T273-V331 PolarHBondContact OG1-N 3.42Å; F304-V331 HydrophobicContact CE1-CG2 4.43Å; F304-V331 HydrophobicContact CZ-CG2 3.74Å; L327-V331 PolarHBondContact O-N 3.48Å; T328-V331 WeakPolarHBondContact O-CB 3.47Å; T328-V331 PolarHBondContact O-N 3.27Å; L329-V331 VanDerWaalsContact C-N 3.3Å; L329-V331 PolarHBondContact O-N 3.42Å; V331-Q333 VanDerWaalsContact C-N 3.31Å; V331-Q333 PolarHBondContact O-N 3.39Å; V331-D334 PolarHBondContact O-N 3.01Å; V331-S335 PolarHBondContact O-N 3.17Å
332F98.7Very high97.4Very high0 Ų012.8 Ų12.80%07%0.067CC..Hα-helixtrans-63.6-38.2174.5-74.4-83000112W54 L58 G199 L202 F204 T328 L329 S335 Y338 V340W54-F332 HydrophobicContact CH2-CD2 4.06Å; W54-F332 HydrophobicContact CH2-CE1 4.43Å; W54-F332 AromaticContact CH2-CE2 3.32Å; W54-F332 HydrophobicContact CH2-CE2 3.32Å; W54-F332 AromaticContact CH2-CZ 3.55Å; W54-F332 HydrophobicContact CH2-CZ 3.55Å; W54-F332 HydrophobicContact CZ2-CE2 4.41Å; W54-F332 HydrophobicContact CZ2-CZ 4.34Å; W54-F332 AromaticContact CZ3-CD2 3.9Å; W54-F332 HydrophobicContact CZ3-CD2 3.9Å; W54-F332 HydrophobicContact CZ3-CE1 4.22Å; W54-F332 AromaticContact CZ3-CE2 3.58Å; W54-F332 HydrophobicContact CZ3-CE2 3.58Å; W54-F332 HydrophobicContact CZ3-CG 4.39Å; W54-F332 AromaticContact CZ3-CZ 3.74Å; W54-F332 HydrophobicContact CZ3-CZ 3.74Å; L58-F332 HydrophobicContact CD1-CD1 3.99Å; L58-F332 HydrophobicContact CD1-CE1 4.34Å; L58-F332 HydrophobicContact CD2-CB 3.84Å; L58-F332 HydrophobicContact CD2-CD1 4.31Å; L58-F332 HydrophobicContact CD2-CG 4.1Å; G199-F332 WeakPolarHBondContact O-CZ 3.48Å; L202-F332 HydrophobicContact CB-CE1 3.73Å; L202-F332 HydrophobicContact CB-CZ 4.38Å; F204-F332 HydrophobicContact CB-CZ 4.34Å; T328-F332 HydrophobicContact CG2-CD2 4.06Å; T328-F332 HydrophobicContact CG2-CE2 3.69Å; T328-F332 VanDerWaalsContact O-CD2 3.32Å; T328-F332 WeakPolarHBondContact O-CD2 3.42Å; T328-F332 PolarHBondContact O-N 3.39Å; L329-F332 PolarHBondContact O-N 3.01Å; F332-S335 WeakPolarHBondContact O-CB 3.39Å; F332-S335 PolarHBondContact O-N 3.4Å; F332-S335 PolarHBondContact O-OG 3.43Å; F332-Y338 HydrophobicContact CB-CD2 4.29Å; F332-Y338 AromaticContact CD1-CD2 3.9Å; F332-Y338 HydrophobicContact CD1-CD2 3.9Å; F332-Y338 AromaticContact CD1-CE2 3.93Å; F332-Y338 HydrophobicContact CD1-CE2 3.93Å; F332-V340 HydrophobicContact CB-CG2 3.93Å
333Q98Very high97.7Very high14 Ų1420.9 Ų20.97%0.06511%0.105CC..Hα-helixtrans-66.3-41.8174.4-177.56275.600111.9K272 L329 S330 V331 S335 G336 Y338 V340 F342K272-Q333 HydrophobicContact CD-CB 4.33Å; K272-Q333 HydrophobicContact CD-CG 3.4Å; K272-Q333 VanDerWaalsContact CD-CG 3.4Å; L329-Q333 PolarHBondContact O-N 2.6Å; S330-Q333 PolarHBondContact O-N 3.48Å; V331-Q333 VanDerWaalsContact C-N 3.31Å; V331-Q333 PolarHBondContact O-N 3.39Å; Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 3.49Å; Q333-G336 PolarHBondContact O-N 3.45Å; Q333-Y338 PolarHBondContact NE2-O 3.02Å; Q333-V340 HydrophobicContact CB-CB 4.29Å; Q333-V340 HydrophobicContact CB-CG2 3.79Å; Q333-F342 HydrophobicContact CB-CE2 4.45Å; Q333-F342 HydrophobicContact CB-CZ 4.23Å; Q333-F342 HydrophobicContact CG-CE2 4.45Å
334D98.5Very high97.9Very high1 Ų122.7 Ų22.71%0.00511%0.113CC..Hα-helixtrans-75.3-17.2-179.8-86-38.7000113.7R213 R220 L270 K272 T273 S330 V331 G336R213-D334 VanDerWaalsContact O-O 3.09Å; R220-D334 PolarHBondContact NE-O 2.78Å; R220-D334 PolarHBondContact NH2-O 3.46Å; R220-D334 IonicContact NH2-OD1 3.01Å; L270-D334 HydrophobicContact CB-CB 3.81Å; L270-D334 VanDerWaalsContact CB-OD2 3.26Å; L270-D334 WeakPolarHBondContact CB-OD2 3.31Å; L270-D334 HydrophobicContact CD1-CB 4.04Å; L270-D334 HydrophobicContact CD2-CB 4.17Å; L270-D334 HydrophobicContact CG-CB 4.23Å; K272-D334 WeakPolarHBondContact CA-OD2 3.41Å; K272-D334 WeakPolarHBondContact CB-OD2 3.49Å; K272-D334 PolarHBondContact N-OD1 3.27Å; K272-D334 PolarHBondContact N-OD2 3.18Å; T273-D334 PolarHBondContact N-OD2 2.91Å; T273-D334 PolarHBondContact OG1-OD2 3.31Å; S330-D334 WeakPolarHBondContact O-CB 3.24Å; S330-D334 PolarHBondContact O-N 2.82Å; V331-D334 PolarHBondContact O-N 3.01Å; D334-G336 PolarHBondContact O-N 3.48Å
335S98.2Very high97.9Very high0 Ų024 Ų240%013%0.125CC..THydrogen-bonded Turntrans-60-21.9172.577.20000112.8R213 V331 F332 Q333 W337R213-S335 PolarHBondContact N-O 3.25Å; R213-S335 CarbonylContact O-C 3.59Å; V331-S335 PolarHBondContact O-N 3.17Å; F332-S335 WeakPolarHBondContact O-CB 3.39Å; F332-S335 PolarHBondContact O-N 3.4Å; F332-S335 PolarHBondContact O-OG 3.43Å; Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 3.49Å; S335-W337 PolarHBondContact O-N 2.76Å; S335-W337 PolarHBondContact OG-N 3.11Å
336G96.8Very high97.9Very high6 Ų627.8 Ų27.86%0.06214%0.142CC..SBendtrans77.8-1.9-176.900000114.1R213 Q333 D334R213-G336 WeakPolarHBondContact O-CA 3.48Å; R213-G336 PolarHBondContact O-N 2.89Å; Q333-G336 PolarHBondContact O-N 3.45Å; D334-G336 PolarHBondContact O-N 3.48Å
337W96.5Very high97.7Very high6 Ų632.3 Ų32.32%0.02317%0.166CC..SBendtrans-89.6-29.7-179.7-57.6-35.9000113.6K61 T165 D166 R167 P168 L208 F211 Y212 S335K61-W337 WeakPolarHBondContact CB-O 3.44Å; K61-W337 PolarHBondContact N-O 3.21Å; T165-W337 PolarHBondContact O-NE1 3.12Å; D166-W337 HydrophobicContact CB-CZ2 4.4Å; D166-W337 WeakPolarHBondContact O-CZ2 3.31Å; R167-W337 HydrophobicContact CB-CB 4.25Å; R167-W337 HydrophobicContact CB-CD2 4.34Å; R167-W337 HydrophobicContact CB-CG 3.88Å; R167-W337 HydrophobicContact CG-CB 3.9Å; R167-W337 HydrophobicContact CG-CD2 4.41Å; R167-W337 HydrophobicContact CG-CG 3.97Å; P168-W337 VanDerWaalsContact CD-CE3 3.43Å; P168-W337 HydrophobicContact CG-CE3 4.22Å; P168-W337 HydrophobicContact CG-CH2 4.02Å; P168-W337 HydrophobicContact CG-CZ3 3.72Å; L208-W337 HydrophobicContact CB-CH2 4.03Å; L208-W337 HydrophobicContact CB-CZ3 4.49Å; L208-W337 HydrophobicContact CD1-CZ3 4.43Å; L208-W337 HydrophobicContact CD2-CH2 4.41Å; F211-W337 HydrophobicContact CB-CH2 4.44Å; F211-W337 HydrophobicContact CB-CZ2 3.99Å; Y212-W337 AromaticContact CD1-CH2 3.58Å; Y212-W337 HydrophobicContact CD1-CH2 3.58Å; Y212-W337 AromaticContact CD1-CZ2 3.98Å; Y212-W337 HydrophobicContact CD1-CZ2 3.98Å; Y212-W337 AromaticContact CD1-CZ3 3.91Å; Y212-W337 HydrophobicContact CD1-CZ3 3.91Å; Y212-W337 HydrophobicContact CE1-CE3 4.49Å; Y212-W337 AromaticContact CE1-CH2 3.7Å; Y212-W337 HydrophobicContact CE1-CH2 3.7Å; Y212-W337 AromaticContact CE1-CZ3 3.67Å; Y212-W337 HydrophobicContact CE1-CZ3 3.67Å; S335-W337 PolarHBondContact O-N 2.76Å; S335-W337 PolarHBondContact OG-N 3.11Å
338Y97.9Very high97.6Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-123.2145.4-171.3-52.1-74000112.3L23 L58 N59 V60 L202 F332 Q333L23-Y338 HydrophobicContact CD1-CE1 4.35Å; L23-Y338 HydrophobicContact CD2-CE1 4.31Å; L58-Y338 HydrophobicContact CB-CD1 3.91Å; L58-Y338 HydrophobicContact CB-CE1 4.46Å; L58-Y338 HydrophobicContact CB-CG 4.27Å; L58-Y338 HydrophobicContact CD1-CD1 4.17Å; L58-Y338 HydrophobicContact CD1-CD2 4.31Å; L58-Y338 HydrophobicContact CD1-CE1 4.19Å; L58-Y338 HydrophobicContact CD1-CE2 4.34Å; L58-Y338 HydrophobicContact CD1-CG 4.23Å; L58-Y338 HydrophobicContact CD2-CG 4.26Å; L58-Y338 HydrophobicContact CG-CD1 4.5Å; L58-Y338 HydrophobicContact CG-CG 4.5Å; N59-Y338 CarbonylContact O-C 3.38Å; N59-Y338 WeakPolarHBondContact O-CA 3.43Å; V60-Y338 HydrophobicContact CG2-CD1 4.48Å; V60-Y338 HydrophobicContact CG2-CE1 4.31Å; L202-Y338 PolarHBondContact O-OH 3.38Å; F332-Y338 HydrophobicContact CB-CD2 4.29Å; F332-Y338 AromaticContact CD1-CD2 3.9Å; F332-Y338 HydrophobicContact CD1-CD2 3.9Å; F332-Y338 AromaticContact CD1-CE2 3.93Å; F332-Y338 HydrophobicContact CD1-CE2 3.93Å; Q333-Y338 PolarHBondContact NE2-O 3.02Å
339D97.4Very high97.4Very high46 Ų4636.3 Ų36.325%0.24618%0.183CC..EExtended strand (participates in β ladder)trans-96.8127.5154.3-60-46.4000107.6S20 N59 K61S20-D339 WeakPolarHBondContact CB-OD2 3.44Å; S20-D339 PolarHBondContact OG-OD2 2.85Å; N59-D339 HydrophobicContact CB-CB 4.4Å; N59-D339 PolarHBondContact N-O 3.23Å; N59-D339 PolarHBondContact O-N 3.35Å; K61-D339 VanDerWaalsContact CD-OD1 3.3Å; K61-D339 WeakPolarHBondContact CD-OD1 3.41Å; K61-D339 WeakPolarHBondContact CE-OD1 3.24Å; K61-D339 WeakPolarHBondContact CG-OD1 3.24Å; K61-D339 WeakPolarHBondContact CG-OD2 3.38Å; K61-D339 IonicContact NZ-OD1 2.85Å; K61-D339 PolarHBondContact NZ-OD1 2.92Å
340V97.8Very high97.3Very high16 Ų1636.3 Ų36.310%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-106.3134.5-167.5-178.80000110.9A57 L58 L329 F332 Q333 F342A57-V340 WeakPolarHBondContact O-CA 3.38Å; L58-V340 HydrophobicContact CD2-CG1 4.41Å; L58-V340 HydrophobicContact CD2-CG2 3.81Å; L329-V340 HydrophobicContact CB-CG1 3.73Å; L329-V340 HydrophobicContact CD1-CG1 4.07Å; L329-V340 HydrophobicContact CD2-CG1 3.88Å; L329-V340 HydrophobicContact CG-CG1 4.09Å; F332-V340 HydrophobicContact CB-CG2 3.93Å; Q333-V340 HydrophobicContact CB-CB 4.29Å; Q333-V340 HydrophobicContact CB-CG2 3.79Å; V340-F342 HydrophobicContact CB-CD2 4.44Å; V340-F342 HydrophobicContact CB-CE2 4.08Å; V340-F342 HydrophobicContact CB-CZ 4.47Å; V340-F342 HydrophobicContact CG1-CD2 4.45Å; V340-F342 HydrophobicContact CG1-CE2 4.36Å; V340-F342 PolarHBondContact O-N 3.19Å
341D98Very high97.2Very high58 Ų5836.2 Ų36.231%0.3118%0.183SC..  trans-84.599.3169.1-171.4-3.9000110.3A57 Q343 M344A57-D341 PolarHBondContact O-N 2.99Å; D341-Q343 PolarHBondContact O-N 3.04Å; D341-Q343 VanDerWaalsContact OD1-CB 3.23Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.29Å; D341-Q343 WeakPolarHBondContact OD1-CG 3.49Å; D341-Q343 PolarHBondContact OD1-N 3.44Å; D341-M344 HydrophobicContact CB-CG 4.21Å; D341-M344 WeakPolarHBondContact O-CB 3.28Å; D341-M344 PolarHBondContact O-N 2.92Å; D341-M344 VanDerWaalsContact O-N 3.13Å
342F97.4Very high97.2Very high82 Ų8240.5 Ų40.536%0.3620%0.201SC..G310 helixtrans-70.2-8.6178.1-73.9-86.8000113.7L329 S330 Q333 V340 M344 A345L329-F342 HydrophobicContact CB-CD1 4.11Å; L329-F342 HydrophobicContact CB-CE1 3.85Å; S330-F342 WeakPolarHBondContact OG-CE1 3.39Å; Q333-F342 HydrophobicContact CB-CE2 4.45Å; Q333-F342 HydrophobicContact CB-CZ 4.23Å; Q333-F342 HydrophobicContact CG-CE2 4.45Å; V340-F342 HydrophobicContact CB-CD2 4.44Å; V340-F342 HydrophobicContact CB-CE2 4.08Å; V340-F342 HydrophobicContact CB-CZ 4.47Å; V340-F342 HydrophobicContact CG1-CD2 4.45Å; V340-F342 HydrophobicContact CG1-CE2 4.36Å; V340-F342 PolarHBondContact O-N 3.19Å; F342-M344 PolarHBondContact O-N 2.84Å; F342-A345 WeakPolarHBondContact O-CB 3.5Å; F342-A345 PolarHBondContact O-N 2.98Å; F342-A345 VanDerWaalsContact O-N 3.11Å
343Q97.5Very high97.1Very high175 Ų17545.4 Ų45.482%0.81823%0.228SC*.G310 helixtrans-68.2-19.3169.4-58.6-175.513.900112D341 A345D341-Q343 PolarHBondContact O-N 3.04Å; D341-Q343 VanDerWaalsContact OD1-CB 3.23Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.29Å; D341-Q343 WeakPolarHBondContact OD1-CG 3.49Å; D341-Q343 PolarHBondContact OD1-N 3.44Å; Q343-A345 PolarHBondContact O-N 2.81Å
344M97.1Very high97.1Very high59 Ų5947.2 Ų47.229%0.29124%0.238SC..G310 helixtrans-75.7-9.1172.7-62-60.6-61.200112.9F53 A57 D341 F342F53-M344 HydrophobicContact CD2-CE 3.9Å; F53-M344 HydrophobicContact CE2-CB 4.25Å; F53-M344 HydrophobicContact CE2-CE 4.22Å; A57-M344 HydrophobicContact CB-CB 4.07Å; A57-M344 HydrophobicContact CB-CG 4.13Å; D341-M344 HydrophobicContact CB-CG 4.21Å; D341-M344 WeakPolarHBondContact O-CB 3.28Å; D341-M344 PolarHBondContact O-N 2.92Å; D341-M344 VanDerWaalsContact O-N 3.13Å; F342-M344 PolarHBondContact O-N 2.84Å
345A97.8Very high97Very high33 Ų3348 Ų4827%0.27325%0.245SC..  trans-71135173.800000110.9I324 L329 F342 Q343I324-A345 CarbonylContact O-C 3.43Å; I324-A345 WeakPolarHBondContact O-CA 3.22Å; L329-A345 HydrophobicContact CD1-CB 4Å; F342-A345 WeakPolarHBondContact O-CB 3.5Å; F342-A345 PolarHBondContact O-N 2.98Å; F342-A345 VanDerWaalsContact O-N 3.11Å; Q343-A345 PolarHBondContact O-N 2.81Å
346Q96.1Very high97Very high79 Ų7949.8 Ų49.837%0.36926%0.257SS..  trans-83.4157.5168.4-65.7172.7-29.400110.4Y192 T323 I324 W348Y192-Q346 PolarHBondContact OH-NE2 3.25Å; T323-Q346 HydrophobicContact CG2-CB 3.59Å; I324-Q346 HydrophobicContact CB-CG 4.48Å; I324-Q346 PolarHBondContact O-N 2.91Å; Q346-W348 PolarHBondContact O-N 3.02Å
347D93.8Very high97Very high98 Ų9851.7 Ų51.752%0.52427%0.266SS..  trans-73.190.1176.1-178.641.2000110.5K349 K352D347-K349 WeakPolarHBondContact OD2-CE 3.38Å; D347-K352 IonicContact OD1-NZ 2.97Å; D347-K352 PolarHBondContact OD1-NZ 2.74Å; D347-K352 VanDerWaalsContact OD1-NZ 3.15Å
348W96.6Very high97.1Very high6 Ų651.5 Ų51.52%0.02327%0.266CS..  trans-75.1131.4172.1-175.449.3000110.1F276 H280 F281 V309 D311 E312 T323 S325 L327 Q346 W350F276-W348 HydrophobicContact CE1-CE3 4.34Å; F276-W348 HydrophobicContact CE1-CZ3 4.43Å; H280-W348 AromaticContact CD2-CE3 3.78Å; H280-W348 AromaticContact CD2-CZ3 3.41Å; H280-W348 VanDerWaalsContact CD2-CZ3 3.41Å; H280-W348 WeakPolarHBondContact CD2-CZ3 3.34Å; H280-W348 AromaticContact CE1-CD2 3.82Å; H280-W348 AromaticContact CE1-CE3 3.27Å; H280-W348 AromaticContact CE1-CZ3 3.76Å; H280-W348 PolarHBondContact CE1-O 2.74Å; H280-W348 VanDerWaalsContact CE1-O 3.25Å; H280-W348 AromaticContact ND1-CE3 3.87Å; H280-W348 AromaticContact NE2-CD2 3.81Å; H280-W348 AromaticContact NE2-CE3 3.23Å; H280-W348 AromaticContact NE2-CH2 3.8Å; H280-W348 AromaticContact NE2-CZ3 3.24Å; H280-W348 WeakPolarHBondContact NE2-CZ3 3.42Å; F281-W348 AromaticContact CE1-CH2 3.97Å; F281-W348 HydrophobicContact CE1-CH2 3.97Å; F281-W348 AromaticContact CZ-CH2 3.67Å; F281-W348 HydrophobicContact CZ-CH2 3.67Å; F281-W348 HydrophobicContact CZ-CZ3 4.19Å; V309-W348 HydrophobicContact CB-CH2 4.22Å; V309-W348 HydrophobicContact CB-CZ2 4.02Å; V309-W348 HydrophobicContact CG1-CH2 4.18Å; V309-W348 HydrophobicContact CG1-CZ2 4.49Å; V309-W348 VanDerWaalsContact O-CZ2 3.26Å; V309-W348 WeakPolarHBondContact O-CZ2 3.34Å; D311-W348 PolarHBondContact OD1-NE1 2.72Å; E312-W348 HydrophobicContact CB-CZ2 4.03Å; E312-W348 HydrophobicContact CG-CD2 4.13Å; E312-W348 HydrophobicContact CG-CE3 4.36Å; E312-W348 HydrophobicContact CG-CH2 4.42Å; E312-W348 HydrophobicContact CG-CZ2 4.19Å; E312-W348 HydrophobicContact CG-CZ3 4.5Å; T323-W348 HydrophobicContact CG2-CB 3.75Å; T323-W348 HydrophobicContact CG2-CG 4.32Å; S325-W348 VanDerWaalsContact CB-CB 3.46Å; L327-W348 HydrophobicContact CB-CZ3 4.47Å; L327-W348 HydrophobicContact CD2-CH2 4.33Å; L327-W348 HydrophobicContact CD2-CZ3 4.18Å; Q346-W348 PolarHBondContact O-N 3.02Å; W348-W350 HydrophobicContact CZ2-CB 4.11Å; W348-W350 AromaticContact CZ2-CD1 3.93Å; W348-W350 HydrophobicContact CZ2-CG 4.45Å
349K95.7Very high97Very high79 Ų7951.6 Ų51.634%0.34327%0.266SS..  trans-119.6-20.8-172.4-63.3-172176.8-1700114.3D347 G351 K352 P393D347-K349 WeakPolarHBondContact OD2-CE 3.38Å; K349-G351 PolarHBondContact O-N 3.13Å; K349-K352 VanDerWaalsContact O-CB 3.26Å; K349-K352 WeakPolarHBondContact O-CB 3.23Å; K349-K352 PolarHBondContact O-N 3.37Å; K349-K352 VanDerWaalsContact O-N 3.14Å; K349-P393 WeakPolarHBondContact CD-O 3.38Å
350W96.6Very high97Very high0 Ų051.1 Ų51.10%027%0.265CS..THydrogen-bonded Turntrans-58133.7178.1177.8-92.2000110.7H280 V308 N310 D311 W348 K352 F358 P379 W380 Y394 L438H280-W350 PolarHBondContact NE2-O 3.29Å; V308-W350 PolarHBondContact O-NE1 3.36Å; N310-W350 HydrophobicContact CB-CD2 3.44Å; N310-W350 VanDerWaalsContact CB-CD2 3.44Å; N310-W350 HydrophobicContact CB-CE3 3.96Å; N310-W350 HydrophobicContact CB-CG 3.75Å; N310-W350 HydrophobicContact CB-CH2 4.23Å; N310-W350 HydrophobicContact CB-CZ2 3.76Å; N310-W350 HydrophobicContact CB-CZ3 4.31Å; D311-W350 WeakPolarHBondContact OD1-CB 3.31Å; W348-W350 HydrophobicContact CZ2-CB 4.11Å; W348-W350 AromaticContact CZ2-CD1 3.93Å; W348-W350 HydrophobicContact CZ2-CG 4.45Å; W350-K352 PolarHBondContact O-N 3.37Å; W350-F358 AromaticContact CE2-CZ 3.86Å; W350-F358 HydrophobicContact CZ2-CE2 4.39Å; W350-F358 HydrophobicContact CZ2-CZ 4.11Å; W350-F358 AromaticContact NE1-CZ 3.52Å; W350-P379 HydrophobicContact CE3-CB 4.11Å; W350-P379 HydrophobicContact CE3-CG 4.46Å; W350-P379 HydrophobicContact CH2-CB 3.45Å; W350-P379 VanDerWaalsContact CH2-CB 3.45Å; W350-P379 HydrophobicContact CH2-CG 3.52Å; W350-P379 HydrophobicContact CZ2-CB 4.29Å; W350-P379 HydrophobicContact CZ2-CG 3.88Å; W350-P379 HydrophobicContact CZ3-CB 3.35Å; W350-P379 HydrophobicContact CZ3-CG 3.86Å; W350-W380 HydrophobicContact CH2-CH2 4.06Å; W350-W380 HydrophobicContact CH2-CZ3 4.08Å; W350-W380 AromaticContact CZ2-CH2 3.58Å; W350-W380 HydrophobicContact CZ2-CH2 3.58Å; W350-W380 AromaticContact CZ2-CZ2 3.91Å; W350-W380 HydrophobicContact CZ2-CZ2 3.91Å; W350-W380 HydrophobicContact CZ2-CZ3 4.07Å; W350-Y394 AromaticContact CE3-CD2 3.87Å; W350-Y394 HydrophobicContact CE3-CD2 3.87Å; W350-Y394 HydrophobicContact CE3-CE1 4.48Å; W350-Y394 AromaticContact CE3-CE2 3.8Å; W350-Y394 HydrophobicContact CE3-CE2 3.8Å; W350-Y394 HydrophobicContact CE3-CG 4.22Å; W350-Y394 HydrophobicContact CZ3-CD2 4.35Å; W350-Y394 HydrophobicContact CZ3-CE1 4.37Å; W350-Y394 AromaticContact CZ3-CE2 3.82Å; W350-Y394 HydrophobicContact CZ3-CE2 3.82Å; W350-Y394 AromaticContact CZ3-CZ 3.8Å; W350-L438 HydrophobicContact CH2-CB 3.99Å; W350-L438 HydrophobicContact CH2-CD1 3.56Å; W350-L438 HydrophobicContact CH2-CG 4.39Å; W350-L438 HydrophobicContact CZ3-CD1 3.75Å
351G97.1Very high96.9Very high3 Ų352.4 Ų52.43%0.03127%0.269CS..THydrogen-bonded Turntrans70.5-9.3-178.600000116.3F281 K349 N353 L354 F358F281-G351 WeakPolarHBondContact CD1-O 3.16Å; K349-G351 PolarHBondContact O-N 3.13Å; G351-N353 PolarHBondContact O-N 2.9Å; G351-L354 WeakPolarHBondContact O-CB 3.45Å; G351-L354 PolarHBondContact O-N 3.11Å; G351-F358 VanDerWaalsContact CA-CE1 3.45Å
352K97.5Very high96.9Very high89 Ų8949.7 Ų49.739%0.38726%0.255SS..THydrogen-bonded Turntrans-58.4125.7-173-167.5174-172.8169.40110.9H280 D347 K349 W350 L354H280-K352 CarbonylContact O-C 3.38Å; H280-K352 VanDerWaalsContact O-CA 3.28Å; H280-K352 WeakPolarHBondContact O-CA 3.04Å; D347-K352 IonicContact OD1-NZ 2.97Å; D347-K352 PolarHBondContact OD1-NZ 2.74Å; D347-K352 VanDerWaalsContact OD1-NZ 3.15Å; K349-K352 VanDerWaalsContact O-CB 3.26Å; K349-K352 WeakPolarHBondContact O-CB 3.23Å; K349-K352 PolarHBondContact O-N 3.37Å; K349-K352 VanDerWaalsContact O-N 3.14Å; W350-K352 PolarHBondContact O-N 3.37Å; K352-L354 PolarHBondContact O-N 2.89Å
353N97Very high96.8Very high104 Ų10445.8 Ų45.856%0.55624%0.238SC*.THydrogen-bonded Turntrans58.217.3-177.7-58.4-45.4000116.4H280 N282 G351 G355H280-N353 PolarHBondContact O-N 3.42Å; N282-N353 HydrophobicContact CB-CB 4.41Å; G351-N353 PolarHBondContact O-N 2.9Å; N353-G355 VanDerWaalsContact C-N 3.28Å; N353-G355 PolarHBondContact O-N 2.99Å
354L97.1Very high96.8Very high52 Ų5238.2 Ų38.227%0.27220%0.204SC..  trans-81.1-5.8179.7-62-170.6000114.3F281 G351 K352 F358 P379F281-L354 PolarHBondContact O-N 3.1Å; G351-L354 WeakPolarHBondContact O-CB 3.45Å; G351-L354 PolarHBondContact O-N 3.11Å; K352-L354 PolarHBondContact O-N 2.89Å; L354-F358 HydrophobicContact CB-CB 3.55Å; L354-F358 HydrophobicContact CB-CD1 4.11Å; L354-F358 HydrophobicContact CB-CD2 4.21Å; L354-F358 HydrophobicContact CB-CG 3.68Å; L354-F358 HydrophobicContact CD1-CD1 4.36Å; L354-F358 HydrophobicContact CD1-CD2 3.61Å; L354-F358 HydrophobicContact CD1-CE2 3.85Å; L354-F358 HydrophobicContact CD1-CG 3.9Å; L354-F358 HydrophobicContact CD1-CZ 4.34Å; L354-F358 HydrophobicContact CG-CG 4.44Å; L354-P379 HydrophobicContact CD1-CG 4.26Å
355G97.8Very high96.8Very high16 Ų1636.5 Ų36.517%0.16520%0.196CC..Hα-helixtrans79179.6172.500000114.4F281 N353 D357 F358F281-G355 VanDerWaalsContact O-CA 3.29Å; F281-G355 WeakPolarHBondContact O-CA 3.37Å; F281-G355 PolarHBondContact O-N 2.82Å; N353-G355 VanDerWaalsContact C-N 3.28Å; N353-G355 PolarHBondContact O-N 2.99Å; G355-D357 VanDerWaalsContact C-N 3.29Å; G355-D357 PolarHBondContact O-N 3.45Å; G355-F358 WeakPolarHBondContact O-CB 3.24Å; G355-F358 PolarHBondContact O-N 2.82Å
356C98.1Very high96.8Very high38 Ų3835.1 Ų35.126%0.25718%0.183SC..Hα-helixtrans-63.8-32.3-176-61.30000113.6C283 S285 F358 V359 T360C283-C356 WeakPolarHBondContact CA-SG 3.24Å; C283-C356 HydrophobicContact CB-CB 4Å; C283-C356 WeakPolarHBondContact CB-SG 3.21Å; C283-C356 WeakPolarHBondContact SG-CA 3.39Å; C283-C356 WeakPolarHBondContact SG-CB 3.39Å; C283-C356 CovalentContact SG-SG 2.04Å; C283-C356 PolarHBondContact SG-SG 3.44Å; S285-C356 PolarHBondContact OG-SG 3.33Å; S285-C356 VanDerWaalsContact OG-SG 3.38Å; C356-F358 PolarHBondContact O-N 3.07Å; C356-V359 PolarHBondContact O-N 2.95Å; C356-T360 WeakPolarHBondContact O-CB 3.2Å; C356-T360 PolarHBondContact O-N 2.7Å; C356-T360 PolarHBondContact O-OG1 3.13Å
357D97.2Very high96.8Very high47 Ų4731.5 Ų31.525%0.25117%0.166SC..Hα-helixtrans-59.8-36.4178.1-72.1-29.9000111.3G355 K361 Y366 L369 R373G355-D357 VanDerWaalsContact C-N 3.29Å; G355-D357 PolarHBondContact O-N 3.45Å; D357-K361 HydrophobicContact CB-CD 4.01Å; D357-K361 WeakPolarHBondContact O-CB 3.48Å; D357-K361 WeakPolarHBondContact O-CG 3.11Å; D357-K361 PolarHBondContact O-N 2.9Å; D357-K361 WeakPolarHBondContact OD1-CD 3.03Å; D357-K361 WeakPolarHBondContact OD1-CE 3.41Å; D357-Y366 HydrophobicContact CB-CD2 4.34Å; D357-L369 HydrophobicContact CB-CD1 4.26Å; D357-R373 IonicContact OD2-NH2 3.48Å
358F97.6Very high96.9Very high1 Ų129.4 Ų29.40%0.00416%0.163CC..Hα-helixtrans-68-49.3177.3172.4-100000112.3F281 R307 W350 G351 L354 G355 C356 Y366 P379 W380F281-F358 HydrophobicContact CD1-CD1 4.23Å; F281-F358 HydrophobicContact CD1-CE1 4.25Å; F281-F358 HydrophobicContact CE1-CD1 4.43Å; F281-F358 HydrophobicContact CE1-CE1 4.02Å; R307-F358 PolarHBondContact NH1-O 3.43Å; W350-F358 AromaticContact CE2-CZ 3.86Å; W350-F358 HydrophobicContact CZ2-CE2 4.39Å; W350-F358 HydrophobicContact CZ2-CZ 4.11Å; W350-F358 AromaticContact NE1-CZ 3.52Å; G351-F358 VanDerWaalsContact CA-CE1 3.45Å; L354-F358 HydrophobicContact CB-CB 3.55Å; L354-F358 HydrophobicContact CB-CD1 4.11Å; L354-F358 HydrophobicContact CB-CD2 4.21Å; L354-F358 HydrophobicContact CB-CG 3.68Å; L354-F358 HydrophobicContact CD1-CD1 4.36Å; L354-F358 HydrophobicContact CD1-CD2 3.61Å; L354-F358 HydrophobicContact CD1-CE2 3.85Å; L354-F358 HydrophobicContact CD1-CG 3.9Å; L354-F358 HydrophobicContact CD1-CZ 4.34Å; L354-F358 HydrophobicContact CG-CG 4.44Å; G355-F358 WeakPolarHBondContact O-CB 3.24Å; G355-F358 PolarHBondContact O-N 2.82Å; C356-F358 PolarHBondContact O-N 3.07Å; F358-Y366 HydrophobicContact CB-CD2 3.98Å; F358-Y366 HydrophobicContact CB-CE2 3.76Å; F358-Y366 HydrophobicContact CD2-CD2 4.5Å; F358-Y366 HydrophobicContact CD2-CE2 4.23Å; F358-P379 HydrophobicContact CE2-CG 3.73Å; F358-W380 AromaticContact CD2-NE1 3.84Å; F358-W380 AromaticContact CE2-CE2 3.9Å; F358-W380 AromaticContact CE2-CZ2 3.74Å; F358-W380 HydrophobicContact CE2-CZ2 3.74Å; F358-W380 AromaticContact CE2-NE1 3.67Å; F358-W380 HydrophobicContact CZ-CZ2 4.26Å
359V96.9Very high97Very high2 Ų231.3 Ų31.31%0.01217%0.173CC..Hα-helixtrans-72.7-40.3-172.7-174.60000111.2F281 L286 R307 V308 C356F281-V359 HydrophobicContact CB-CG2 3.55Å; F281-V359 HydrophobicContact CD1-CG2 3.66Å; F281-V359 HydrophobicContact CD2-CG2 3.67Å; F281-V359 HydrophobicContact CE1-CG2 4.25Å; F281-V359 HydrophobicContact CE2-CG2 4.25Å; F281-V359 HydrophobicContact CG-CG2 3.35Å; L286-V359 HydrophobicContact CD1-CB 4.41Å; L286-V359 HydrophobicContact CD1-CG1 3.65Å; L286-V359 HydrophobicContact CD2-CG1 4.32Å; R307-V359 PolarHBondContact NH2-O 2.82Å; V308-V359 HydrophobicContact CG1-CG1 4.04Å; V308-V359 HydrophobicContact CG2-CG1 4.43Å; C356-V359 PolarHBondContact O-N 2.95Å
360T96.1Very high97Very high36 Ų3629.2 Ų29.222%0.22116%0.164CC..Hα-helixtrans-101.6-15.1-166.864.50000115.1L286 C356L286-T360 HydrophobicContact CD1-CG2 4.2Å; C356-T360 WeakPolarHBondContact O-CB 3.2Å; C356-T360 PolarHBondContact O-N 2.7Å; C356-T360 PolarHBondContact O-OG1 3.13Å
361K96.6Very high96.9Very high44 Ų4433.9 Ų33.919%0.19118%0.182CC..SBendtrans-107.7163.6-179.8-52.6177.2166.4-66.90111.2R307 D357 E365 L369R307-K361 PolarHBondContact NH1-O 3.47Å; D357-K361 HydrophobicContact CB-CD 4.01Å; D357-K361 WeakPolarHBondContact O-CB 3.48Å; D357-K361 WeakPolarHBondContact O-CG 3.11Å; D357-K361 PolarHBondContact O-N 2.9Å; D357-K361 WeakPolarHBondContact OD1-CD 3.03Å; D357-K361 WeakPolarHBondContact OD1-CE 3.41Å; K361-E365 HydrophobicContact CB-CB 4.17Å; K361-E365 HydrophobicContact CB-CG 4.5Å; K361-E365 HydrophobicContact CD-CB 4.46Å; K361-E365 HydrophobicContact CD-CG 3.94Å; K361-E365 VanDerWaalsContact NZ-CD 3.27Å; K361-E365 IonicContact NZ-OE1 2.71Å; K361-E365 PolarHBondContact NZ-OE1 2.95Å; K361-E365 IonicContact NZ-OE2 3.23Å; K361-E365 PolarHBondContact NZ-OE2 3.41Å; K361-L369 HydrophobicContact CD-CD1 3.84Å
362S96.5Very high96.9Very high0 Ų038.1 Ų38.10%021%0.211CC..  trans-65.1160.7170.166.10000111.6K255 S364 E365 Y366K255-S362 VanDerWaalsContact O-CB 3.31Å; K255-S362 WeakPolarHBondContact O-CB 2.95Å; K255-S362 PolarHBondContact O-OG 3.47Å; S362-S364 VanDerWaalsContact C-N 3.3Å; S362-S364 PolarHBondContact O-N 2.69Å; S362-E365 PolarHBondContact O-N 3.24Å; S362-E365 WeakPolarHBondContact OG-CB 3.17Å; S362-E365 PolarHBondContact OG-N 2.84Å; S362-E365 VanDerWaalsContact OG-N 3.14Å; S362-Y366 WeakPolarHBondContact O-CB 3.47Å; S362-Y366 PolarHBondContact O-N 2.83Å
363C96.9Very high96.9Very high1 Ų140 Ų401%0.00722%0.216CC..Hα-helixtrans-61.4-36.417253.90000112.3E365 Y366 M367 W380 H416 C436C363-E365 PolarHBondContact O-N 2.8Å; C363-Y366 PolarHBondContact O-N 3.42Å; C363-M367 HydrophobicContact CB-CE 4.46Å; C363-M367 VanDerWaalsContact O-CB 3.32Å; C363-M367 WeakPolarHBondContact O-CB 3.12Å; C363-M367 WeakPolarHBondContact O-CG 3.37Å; C363-M367 PolarHBondContact O-N 3.39Å; C363-W380 HydrophobicContact CB-CB 4.1Å; C363-W380 HydrophobicContact CB-CD2 3.62Å; C363-W380 HydrophobicContact CB-CE3 4.21Å; C363-W380 HydrophobicContact CB-CG 3.53Å; C363-H416 VanDerWaalsContact SG-CD2 3.57Å; C363-C436 HydrophobicContact CB-CB 3.66Å; C363-C436 WeakPolarHBondContact CB-SG 3.33Å; C363-C436 WeakPolarHBondContact SG-CA 3.42Å; C363-C436 WeakPolarHBondContact SG-CB 3.32Å; C363-C436 CovalentContact SG-SG 2.02Å; C363-C436 PolarHBondContact SG-SG 2.68Å
364S96.4Very high96.8Very high16 Ų1642.7 Ų42.711%0.11223%0.23CC..Hα-helixtrans-60.8-46.4176.2-69.70000112.7S362 M367 A368 H416S362-S364 VanDerWaalsContact C-N 3.3Å; S362-S364 PolarHBondContact O-N 2.69Å; S364-M367 PolarHBondContact O-N 3.49Å; S364-A368 WeakPolarHBondContact O-CB 3.41Å; S364-A368 PolarHBondContact O-N 3.08Å; S364-H416 WeakPolarHBondContact OG-CA 3.36Å; S364-H416 VanDerWaalsContact OG-CB 3.24Å; S364-H416 WeakPolarHBondContact OG-CB 3.32Å; S364-H416 PolarHBondContact OG-ND1 3.31Å; S364-H416 PolarHBondContact OG-O 3.06Å
365E97.2Very high96.7Very high23 Ų2344.2 Ų44.211%0.10724%0.235CC..Hα-helixtrans-67.8-42.7179.7-166.6176.9-171.900110.6K255 K361 S362 C363 M367 A368 L369K255-E365 HydrophobicContact CB-CB 4.22Å; K255-E365 HydrophobicContact CD-CG 4.23Å; K255-E365 WeakPolarHBondContact CE-OE1 3.41Å; K255-E365 IonicContact NZ-OE1 2.91Å; K255-E365 PolarHBondContact NZ-OE1 3.3Å; K361-E365 HydrophobicContact CB-CB 4.17Å; K361-E365 HydrophobicContact CB-CG 4.5Å; K361-E365 HydrophobicContact CD-CB 4.46Å; K361-E365 HydrophobicContact CD-CG 3.94Å; K361-E365 VanDerWaalsContact NZ-CD 3.27Å; K361-E365 IonicContact NZ-OE1 2.71Å; K361-E365 PolarHBondContact NZ-OE1 2.95Å; K361-E365 IonicContact NZ-OE2 3.23Å; K361-E365 PolarHBondContact NZ-OE2 3.41Å; S362-E365 PolarHBondContact O-N 3.24Å; S362-E365 WeakPolarHBondContact OG-CB 3.17Å; S362-E365 PolarHBondContact OG-N 2.84Å; S362-E365 VanDerWaalsContact OG-N 3.14Å; C363-E365 PolarHBondContact O-N 2.8Å; E365-M367 PolarHBondContact O-N 3.29Å; E365-A368 PolarHBondContact O-N 3.46Å; E365-L369 HydrophobicContact CG-CD1 4.34Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.09Å; E365-L369 PolarHBondContact O-N 3.44Å
366Y97.8Very high96.3Very high4 Ų447.8 Ų47.82%0.01626%0.258CS..Hα-helixtrans-57.7-49.3174.3175.7-87000111.7D357 F358 S362 C363 A368 L369 K370 G378 W380D357-Y366 HydrophobicContact CB-CD2 4.34Å; F358-Y366 HydrophobicContact CB-CD2 3.98Å; F358-Y366 HydrophobicContact CB-CE2 3.76Å; F358-Y366 HydrophobicContact CD2-CD2 4.5Å; F358-Y366 HydrophobicContact CD2-CE2 4.23Å; S362-Y366 WeakPolarHBondContact O-CB 3.47Å; S362-Y366 PolarHBondContact O-N 2.83Å; C363-Y366 PolarHBondContact O-N 3.42Å; Y366-A368 VanDerWaalsContact C-N 3.33Å; Y366-A368 PolarHBondContact O-N 3.25Å; Y366-L369 PolarHBondContact O-N 3.39Å; Y366-K370 HydrophobicContact CD1-CG 4.02Å; Y366-K370 HydrophobicContact CE1-CD 4.44Å; Y366-K370 HydrophobicContact CE1-CG 3.68Å; Y366-K370 HydrophobicContact CE2-CG 4.35Å; Y366-K370 VanDerWaalsContact CZ-CE 3.43Å; Y366-K370 WeakPolarHBondContact O-CG 2.96Å; Y366-K370 PolarHBondContact O-N 3.43Å; Y366-K370 VanDerWaalsContact OH-CE 3.3Å; Y366-K370 WeakPolarHBondContact OH-CE 3.27Å; Y366-G378 WeakPolarHBondContact CE1-O 3.36Å; Y366-G378 PolarHBondContact OH-O 3.26Å; Y366-G378 VanDerWaalsContact OH-O 3.06Å; Y366-W380 AromaticContact CD1-CD1 3.52Å; Y366-W380 AromaticContact CE1-CD1 3.93Å
367M96.9Very high96.1Very high2 Ų247.1 Ų47.11%0.0125%0.253CS..Hα-helixtrans-63.3-39.2179.5-70.7-166.4-72.100111.8C363 S364 E365 K370 R371 T377 W380 D382C363-M367 HydrophobicContact CB-CE 4.46Å; C363-M367 VanDerWaalsContact O-CB 3.32Å; C363-M367 WeakPolarHBondContact O-CB 3.12Å; C363-M367 WeakPolarHBondContact O-CG 3.37Å; C363-M367 PolarHBondContact O-N 3.39Å; S364-M367 PolarHBondContact O-N 3.49Å; E365-M367 PolarHBondContact O-N 3.29Å; M367-K370 PolarHBondContact O-N 2.92Å; M367-R371 WeakPolarHBondContact O-CB 3.39Å; M367-R371 VanDerWaalsContact O-CG 3.27Å; M367-R371 WeakPolarHBondContact O-CG 3.08Å; M367-R371 PolarHBondContact O-N 3.3Å; M367-T377 HydrophobicContact CB-CG2 4Å; M367-T377 HydrophobicContact CG-CG2 4.14Å; M367-W380 HydrophobicContact CE-CB 4.35Å; M367-W380 HydrophobicContact CG-CB 3.76Å; M367-W380 HydrophobicContact SD-CB 3.62Å; M367-D382 HydrophobicContact CE-CB 3.92Å; M367-D382 HydrophobicContact SD-CB 4.35Å
368A96.1Very high95.8Very high55 Ų5545.8 Ų45.846%0.45525%0.251SS..Hα-helixtrans-62.5-44.8175.100000111.9S364 E365 Y366 R371 S372S364-A368 WeakPolarHBondContact O-CB 3.41Å; S364-A368 PolarHBondContact O-N 3.08Å; E365-A368 PolarHBondContact O-N 3.46Å; Y366-A368 VanDerWaalsContact C-N 3.33Å; Y366-A368 PolarHBondContact O-N 3.25Å; A368-R371 PolarHBondContact O-N 3.36Å; A368-S372 PolarHBondContact O-N 3.37Å
369L96.9Very high95.8Very high46 Ų4645.9 Ų45.924%0.24125%0.251CS..Hα-helixtrans-61.5-43.9175.7-71.1170.2000111.5D357 K361 E365 Y366 S372 R373D357-L369 HydrophobicContact CB-CD1 4.26Å; K361-L369 HydrophobicContact CD-CD1 3.84Å; E365-L369 HydrophobicContact CG-CD1 4.34Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.09Å; E365-L369 PolarHBondContact O-N 3.44Å; Y366-L369 PolarHBondContact O-N 3.39Å; L369-S372 PolarHBondContact O-N 3.5Å; L369-S372 PolarHBondContact O-OG 2.66Å; L369-R373 PolarHBondContact O-N 2.91Å
370K96.7Very high95.8Very high34 Ų3445.8 Ų45.815%0.14825%0.251CS..Hα-helixtrans-62.2-45.1176.4-69.5-68.81731760112.2Y366 M367 S372 R373 N374 E375 T377Y366-K370 HydrophobicContact CD1-CG 4.02Å; Y366-K370 HydrophobicContact CE1-CD 4.44Å; Y366-K370 HydrophobicContact CE1-CG 3.68Å; Y366-K370 HydrophobicContact CE2-CG 4.35Å; Y366-K370 VanDerWaalsContact CZ-CE 3.43Å; Y366-K370 WeakPolarHBondContact O-CG 2.96Å; Y366-K370 PolarHBondContact O-N 3.43Å; Y366-K370 VanDerWaalsContact OH-CE 3.3Å; Y366-K370 WeakPolarHBondContact OH-CE 3.27Å; M367-K370 PolarHBondContact O-N 2.92Å; K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 2.89Å; K370-R373 CarbonylContact O-C 3.55Å; K370-R373 PolarHBondContact O-N 3.31Å; K370-N374 PolarHBondContact O-N 3.02Å; K370-E375 HydrophobicContact CB-CB 4.28Å; K370-E375 HydrophobicContact CD-CB 3.85Å; K370-E375 WeakPolarHBondContact CD-OE2 3.46Å; K370-E375 WeakPolarHBondContact CE-OE2 3.14Å; K370-E375 IonicContact NZ-OE2 2.79Å; K370-E375 PolarHBondContact NZ-OE2 3.14Å; K370-E375 PolarHBondContact O-N 2.79Å; K370-T377 HydrophobicContact CB-CG2 4.49Å
371R95.4Very high95.7Very high99 Ų9944.2 Ų44.237%0.37424%0.241SC..Hα-helixtrans-60.2-41.2175-73.1171.7-172.1144.57.7112.6M367 A368 R373 N374 T377 D382M367-R371 WeakPolarHBondContact O-CB 3.39Å; M367-R371 VanDerWaalsContact O-CG 3.27Å; M367-R371 WeakPolarHBondContact O-CG 3.08Å; M367-R371 PolarHBondContact O-N 3.3Å; A368-R371 PolarHBondContact O-N 3.36Å; R371-R373 PolarHBondContact O-N 2.74Å; R371-N374 PolarHBondContact O-N 2.98Å; R371-T377 HydrophobicContact CG-CG2 3.81Å; R371-D382 IonicContact CZ-OD1 2.88Å; R371-D382 IonicContact CZ-OD2 3.41Å; R371-D382 VanDerWaalsContact CZ-OD2 3.23Å; R371-D382 IonicContact NH1-OD2 3.9Å; R371-D382 PolarHBondContact NH1-OD2 2.98Å; R371-D382 IonicContact NH2-OD1 3.57Å; R371-D382 PolarHBondContact NH2-OD1 2.82Å; R371-D382 IonicContact NH2-OD2 3.11Å; R371-D382 PolarHBondContact NH2-OD2 3.2Å
372S96.9Very high95.5Very high92 Ų9243 Ų4364%0.64324%0.237SC*.Hα-helixtrans-62.9-22.1177.272.40000113.6A368 L369 K370A368-S372 PolarHBondContact O-N 3.37Å; L369-S372 PolarHBondContact O-N 3.5Å; L369-S372 PolarHBondContact O-OG 2.66Å; K370-S372 VanDerWaalsContact C-N 3.34Å; K370-S372 PolarHBondContact O-N 2.89Å
373R96.7Very high95.2Very high129 Ų12945.2 Ų45.249%0.48725%0.245SC..THydrogen-bonded Turntrans-99.76176.5-61.7175.7-168.3160.87.5112.8D357 L369 K370 R371 E375D357-R373 IonicContact OD2-NH2 3.48Å; L369-R373 PolarHBondContact O-N 2.91Å; K370-R373 CarbonylContact O-C 3.55Å; K370-R373 PolarHBondContact O-N 3.31Å; R371-R373 PolarHBondContact O-N 2.74Å; R373-E375 HydrophobicContact CB-CG 3.93Å; R373-E375 WeakPolarHBondContact CB-OE1 3.46Å; R373-E375 WeakPolarHBondContact CD-OE1 3.34Å; R373-E375 PolarHBondContact O-N 2.68Å
374N95.5Very high94.7Very high160 Ų16051 Ų5186%0.85627%0.27SS*.THydrogen-bonded Turntrans54.735-173.4-161.433.4000113.3K370 R371K370-N374 PolarHBondContact O-N 3.02Å; R371-N374 PolarHBondContact O-N 2.98Å
375E93.7Very high94.2Very high83 Ų8352.7 Ų52.739%0.38828%0.279SS..  trans-101160.8178.7-67.8173.7-152.900111.3K370 R373K370-E375 HydrophobicContact CB-CB 4.28Å; K370-E375 HydrophobicContact CD-CB 3.85Å; K370-E375 WeakPolarHBondContact CD-OE2 3.46Å; K370-E375 WeakPolarHBondContact CE-OE2 3.14Å; K370-E375 IonicContact NZ-OE2 2.79Å; K370-E375 PolarHBondContact NZ-OE2 3.14Å; K370-E375 PolarHBondContact O-N 2.79Å; R373-E375 HydrophobicContact CB-CG 3.93Å; R373-E375 WeakPolarHBondContact CB-OE1 3.46Å; R373-E375 WeakPolarHBondContact CD-OE1 3.34Å; R373-E375 PolarHBondContact O-N 2.68Å
376S91Very high93.2Very high92 Ų9255.2 Ų55.264%0.64330%0.297SS*.  trans-62.3136.9172.5-178.90000111.1G378S376-G378 PolarHBondContact O-N 2.86Å; S376-G378 PolarHBondContact OG-N 3.34Å
377T94Very high92.5Very high23 Ų2358.6 Ų58.614%0.14132%0.318CS..  trans-77.3-6.7176.557.20000113.4M367 K370 R371 W380M367-T377 HydrophobicContact CB-CG2 4Å; M367-T377 HydrophobicContact CG-CG2 4.14Å; K370-T377 HydrophobicContact CB-CG2 4.49Å; R371-T377 HydrophobicContact CG-CG2 3.81Å; T377-W380 CarbonylContact C-O 3.59Å; T377-W380 PolarHBondContact O-N 3.37Å; T377-W380 VanDerWaalsContact O-N 3.15Å; T377-W380 VanDerWaalsContact O-O 3.13Å; T377-W380 PolarHBondContact OG1-O 2.93Å
378G90.9Very high92.1Very high20 Ų2063.3 Ų63.321%0.20634%0.336CS..THydrogen-bonded Turntrans-50.7144.2176.500000112.4Y366 S376 W380Y366-G378 WeakPolarHBondContact CE1-O 3.36Å; Y366-G378 PolarHBondContact OH-O 3.26Å; Y366-G378 VanDerWaalsContact OH-O 3.06Å; S376-G378 PolarHBondContact O-N 2.86Å; S376-G378 PolarHBondContact OG-N 3.34Å; G378-W380 VanDerWaalsContact C-N 3.32Å
379P96Very high91.9Very high3 Ų360.9 Ų60.92%0.01932%0.316CS..THydrogen-bonded Turncis-80.6-3.5934-37.6000114.8W350 L354 F358 Y394 L438 F439W350-P379 HydrophobicContact CE3-CB 4.11Å; W350-P379 HydrophobicContact CE3-CG 4.46Å; W350-P379 HydrophobicContact CH2-CB 3.45Å; W350-P379 VanDerWaalsContact CH2-CB 3.45Å; W350-P379 HydrophobicContact CH2-CG 3.52Å; W350-P379 HydrophobicContact CZ2-CB 4.29Å; W350-P379 HydrophobicContact CZ2-CG 3.88Å; W350-P379 HydrophobicContact CZ3-CB 3.35Å; W350-P379 HydrophobicContact CZ3-CG 3.86Å; L354-P379 HydrophobicContact CD1-CG 4.26Å; F358-P379 HydrophobicContact CE2-CG 3.73Å; P379-Y394 HydrophobicContact CB-CD1 4.36Å; P379-Y394 HydrophobicContact CB-CE1 3.54Å; P379-L438 VanDerWaalsContact O-CA 3.31Å; P379-L438 WeakPolarHBondContact O-CA 3.46Å; P379-F439 WeakPolarHBondContact O-CD2 3.38Å; P379-F439 PolarHBondContact O-N 3.41Å
380W96.7Very high91.7Very high0 Ų060.6 Ų60.60%031%0.313CS..EExtended strand (participates in β ladder)trans-86.6154.9-176.4-50.8118.3000113.2R307 W350 F358 C363 Y366 M367 T377 G378 C436 A437 L438R307-W380 HydrophobicContact CB-CH2 4.44Å; R307-W380 HydrophobicContact CG-CH2 3.52Å; R307-W380 HydrophobicContact CG-CZ2 3.72Å; R307-W380 WeakPolarHBondContact O-CH2 3.44Å; W350-W380 HydrophobicContact CH2-CH2 4.06Å; W350-W380 HydrophobicContact CH2-CZ3 4.08Å; W350-W380 AromaticContact CZ2-CH2 3.58Å; W350-W380 HydrophobicContact CZ2-CH2 3.58Å; W350-W380 AromaticContact CZ2-CZ2 3.91Å; W350-W380 HydrophobicContact CZ2-CZ2 3.91Å; W350-W380 HydrophobicContact CZ2-CZ3 4.07Å; F358-W380 AromaticContact CD2-NE1 3.84Å; F358-W380 AromaticContact CE2-CE2 3.9Å; F358-W380 AromaticContact CE2-CZ2 3.74Å; F358-W380 HydrophobicContact CE2-CZ2 3.74Å; F358-W380 AromaticContact CE2-NE1 3.67Å; F358-W380 HydrophobicContact CZ-CZ2 4.26Å; C363-W380 HydrophobicContact CB-CB 4.1Å; C363-W380 HydrophobicContact CB-CD2 3.62Å; C363-W380 HydrophobicContact CB-CE3 4.21Å; C363-W380 HydrophobicContact CB-CG 3.53Å; Y366-W380 AromaticContact CD1-CD1 3.52Å; Y366-W380 AromaticContact CE1-CD1 3.93Å; M367-W380 HydrophobicContact CE-CB 4.35Å; M367-W380 HydrophobicContact CG-CB 3.76Å; M367-W380 HydrophobicContact SD-CB 3.62Å; T377-W380 CarbonylContact C-O 3.59Å; T377-W380 PolarHBondContact O-N 3.37Å; T377-W380 VanDerWaalsContact O-N 3.15Å; T377-W380 VanDerWaalsContact O-O 3.13Å; T377-W380 PolarHBondContact OG1-O 2.93Å; G378-W380 VanDerWaalsContact C-N 3.32Å; W380-C436 HydrophobicContact CD2-CB 4.38Å; W380-C436 HydrophobicContact CE3-CB 3.7Å; W380-C436 HydrophobicContact CH2-CB 4.27Å; W380-C436 HydrophobicContact CZ3-CB 3.63Å; W380-A437 WeakPolarHBondContact CA-O 3.48Å; W380-L438 HydrophobicContact CE3-CB 3.76Å; W380-L438 HydrophobicContact CZ3-CB 3.86Å; W380-L438 HydrophobicContact CZ3-CD2 4.21Å
381C95.1Very high91.6Very high2 Ų260.4 Ų60.41%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-143.3155.117657.40000110.7Y383 C401 A437 L438 F439C381-Y383 HydrophobicContact CB-CD1 4.3Å; C381-Y383 HydrophobicContact CB-CE1 3.99Å; C381-C401 HydrophobicContact CB-CB 3.8Å; C381-C401 WeakPolarHBondContact CB-SG 3.26Å; C381-C401 WeakPolarHBondContact SG-CA 3.44Å; C381-C401 WeakPolarHBondContact SG-CB 3.09Å; C381-C401 CovalentContact SG-SG 2.02Å; C381-C401 PolarHBondContact SG-SG 2.79Å; C381-A437 PolarHBondContact N-O 3.15Å; C381-A437 WeakPolarHBondContact O-CB 3.46Å; C381-A437 VanDerWaalsContact SG-C 3.56Å; C381-L438 VanDerWaalsContact SG-C 3.57Å; C381-F439 HydrophobicContact CB-CE1 3.84Å; C381-F439 HydrophobicContact CB-CE2 4.07Å; C381-F439 HydrophobicContact CB-CZ 3.57Å
382D93.3Very high91.5Very high20 Ų2056.5 Ų56.511%0.10730%0.303CS..  trans-136.832.8-178.362.9-14.3000112.6M367 R371 V417M367-D382 HydrophobicContact CE-CB 3.92Å; M367-D382 HydrophobicContact SD-CB 4.35Å; R371-D382 IonicContact CZ-OD1 2.88Å; R371-D382 IonicContact CZ-OD2 3.41Å; R371-D382 VanDerWaalsContact CZ-OD2 3.23Å; R371-D382 IonicContact NH1-OD2 3.9Å; R371-D382 PolarHBondContact NH1-OD2 2.98Å; R371-D382 IonicContact NH2-OD1 3.57Å; R371-D382 PolarHBondContact NH2-OD1 2.82Å; R371-D382 IonicContact NH2-OD2 3.11Å; R371-D382 PolarHBondContact NH2-OD2 3.2Å; D382-V417 HydrophobicContact CB-CG2 4.42Å
383Y90.1Very high91.3Very high45 Ų4556.9 Ų56.918%0.17630%0.303CS..  trans-134.8156179.262.5-95.5000111.6C381 D385 R388 C401 M403 F439C381-Y383 HydrophobicContact CB-CD1 4.3Å; C381-Y383 HydrophobicContact CB-CE1 3.99Å; Y383-D385 HydrophobicContact CD2-CB 3.86Å; Y383-D385 HydrophobicContact CE2-CB 4.08Å; Y383-R388 HydrophobicContact CE2-CB 4.37Å; Y383-R388 HydrophobicContact CE2-CG 4.48Å; Y383-R388 VanDerWaalsContact CZ-NH1 3.31Å; Y383-R388 WeakPolarHBondContact OH-CD 3.3Å; Y383-R388 PolarHBondContact OH-NE 3.38Å; Y383-R388 PolarHBondContact OH-NH1 3.48Å; Y383-C401 HydrophobicContact CE2-CB 4.15Å; Y383-C401 PolarHBondContact O-SG 3.06Å; Y383-M403 WeakPolarHBondContact O-CB 3.5Å; Y383-F439 HydrophobicContact CE1-CE1 4.4Å; Y383-F439 HydrophobicContact CE1-CZ 4.17Å; Y383-F439 AromaticContact CZ-CE1 3.93Å; Y383-F439 WeakPolarHBondContact OH-CE1 3.26Å; Y383-F439 WeakPolarHBondContact OH-CZ 3.37Å
384F85.2Confident91.1Very high122 Ų12251.8 Ų51.854%0.53528%0.284SS..  trans-109.898.9175.1-176.2-103.6000109.5M403F384-M403 HydrophobicContact CB-CB 4.45Å; F384-M403 HydrophobicContact CB-CG 4.03Å; F384-M403 HydrophobicContact CD2-CB 4.14Å; F384-M403 HydrophobicContact CD2-CG 4.18Å; F384-M403 WeakPolarHBondContact CD2-O 3.36Å; F384-M403 VanDerWaalsContact CE2-O 3.3Å; F384-M403 WeakPolarHBondContact CE2-O 3.46Å
385D85.4Confident91Very high53 Ų5345.9 Ų45.928%0.28325%0.253SS..  trans-146.298.4175.4-175.6-5.8000110.3Y383 T387 R388Y383-D385 HydrophobicContact CD2-CB 3.86Å; Y383-D385 HydrophobicContact CE2-CB 4.08Å; D385-T387 PolarHBondContact O-N 3.24Å; D385-T387 WeakPolarHBondContact OD1-CA 3.27Å; D385-T387 WeakPolarHBondContact OD1-CB 3.5Å; D385-T387 PolarHBondContact OD1-N 3.45Å; D385-T387 PolarHBondContact OD1-OG1 2.95Å; D385-R388 HydrophobicContact CB-CB 4.15Å; D385-R388 PolarHBondContact O-N 2.85Å
386P77.6Confident91Very high76 Ų7647.2 Ų47.249%0.49426%0.257SS..THydrogen-bonded Turntrans-72.1-6-179.331.5-35.7000112.8L400P386-L400 VanDerWaalsContact O-CD2 3.3Å; P386-L400 WeakPolarHBondContact O-CD2 3.47Å
387T81.6Confident91.2Very high75 Ų7542.9 Ų42.946%0.4623%0.227SC..THydrogen-bonded Turntrans-95.83178.575.60000112.4D385 R486 M501D385-T387 PolarHBondContact O-N 3.24Å; D385-T387 WeakPolarHBondContact OD1-CA 3.27Å; D385-T387 WeakPolarHBondContact OD1-CB 3.5Å; D385-T387 PolarHBondContact OD1-N 3.45Å; D385-T387 PolarHBondContact OD1-OG1 2.95Å; T387-R486 PolarHBondContact O-NH1 3.39Å; T387-R486 PolarHBondContact O-NH2 3.41Å; T387-M501 CarbonylContact C-O 3.56Å; T387-M501 CarbonylContact O-C 3.52Å
388R89Confident91.3Very high100 Ų10041.9 Ų41.938%0.37722%0.221SC..  trans-111.955.1-174.8-166.5176170.5-160.1-1.1112.1Y383 D385Y383-R388 HydrophobicContact CE2-CB 4.37Å; Y383-R388 HydrophobicContact CE2-CG 4.48Å; Y383-R388 VanDerWaalsContact CZ-NH1 3.31Å; Y383-R388 WeakPolarHBondContact OH-CD 3.3Å; Y383-R388 PolarHBondContact OH-NE 3.38Å; Y383-R388 PolarHBondContact OH-NH1 3.48Å; D385-R388 HydrophobicContact CB-CB 4.15Å; D385-R388 PolarHBondContact O-N 2.85Å
389A92.6Very high91.5Very high5 Ų541 Ų414%0.04121%0.211CC..  trans-69.2140170.900000110.5Y398 N399 L400 M501 G502A389-Y398 HydrophobicContact CB-CD2 4.08Å; A389-N399 CarbonylContact C-O 3.47Å; A389-N399 VanDerWaalsContact CA-O 3.24Å; A389-N399 WeakPolarHBondContact CA-O 3.22Å; A389-L400 HydrophobicContact CB-CD2 3.78Å; A389-L400 HydrophobicContact CB-CG 4.21Å; A389-L400 VanDerWaalsContact N-CD2 3.32Å; A389-M501 WeakPolarHBondContact CA-O 3.35Å; A389-M501 HydrophobicContact CB-CB 3.62Å; A389-M501 VanDerWaalsContact CB-O 3.3Å; A389-M501 WeakPolarHBondContact CB-O 3.27Å; A389-M501 PolarHBondContact N-O 3.34Å; A389-G502 CarbonylContact O-C 3.49Å
390Q93.1Very high91.4Very high39 Ų3942.1 Ų42.118%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-149.1157.6179.562.3-178.1-1400112.3N399 F439 N480Q390-N399 PolarHBondContact N-O 3.36Å; Q390-N399 PolarHBondContact O-N 2.93Å; Q390-F439 HydrophobicContact CG-CD1 4.43Å; Q390-F439 VanDerWaalsContact NE2-CE2 3.31Å; Q390-N480 VanDerWaalsContact CA-OD1 3.24Å; Q390-N480 WeakPolarHBondContact CA-OD1 3.07Å
391C94.4Very high91.3Very high30 Ų3042.7 Ų42.720%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-74.7144.6170.4-470000110.9C478 V479 N480C391-C478 WeakPolarHBondContact CA-SG 3.23Å; C391-C478 HydrophobicContact CB-CB 3.71Å; C391-C478 WeakPolarHBondContact CB-SG 3.3Å; C391-C478 WeakPolarHBondContact SG-CB 3.44Å; C391-C478 PolarHBondContact SG-O 2.73Å; C391-C478 VanDerWaalsContact SG-O 3.4Å; C391-C478 CovalentContact SG-SG 2.03Å; C391-C478 PolarHBondContact SG-SG 3.02Å; C391-V479 VanDerWaalsContact SG-C 3.52Å; C391-V479 PolarHBondContact SG-N 2.88Å; C391-N480 PolarHBondContact N-OD1 2.68Å; C391-N480 VanDerWaalsContact SG-CG 3.55Å; C391-N480 PolarHBondContact SG-N 3.04Å; C391-N480 VanDerWaalsContact SG-N 3.44Å; C391-N480 PolarHBondContact SG-OD1 3.33Å
392V93.6Very high91.3Very high17 Ų1743.3 Ų43.310%0.10322%0.224CC..  trans-129.3153.5178-57.10000110Y394 N395 N399 F439V392-Y394 VanDerWaalsContact C-N 3.28Å; V392-Y394 HydrophobicContact CB-CD1 4.11Å; V392-Y394 HydrophobicContact CB-CE1 3.63Å; V392-Y394 HydrophobicContact CB-CE2 4.31Å; V392-Y394 HydrophobicContact CG1-CE1 4.27Å; V392-Y394 HydrophobicContact CG2-CD1 4.05Å; V392-Y394 HydrophobicContact CG2-CD2 3.82Å; V392-Y394 HydrophobicContact CG2-CE1 3.73Å; V392-Y394 HydrophobicContact CG2-CE2 3.49Å; V392-Y394 VanDerWaalsContact CG2-CE2 3.49Å; V392-Y394 HydrophobicContact CG2-CG 4.1Å; V392-Y394 VanDerWaalsContact CG2-CZ 3.47Å; V392-Y394 PolarHBondContact O-N 2.75Å; V392-N395 WeakPolarHBondContact CG2-OD1 3.35Å; V392-N395 VanDerWaalsContact O-O 3.1Å; V392-N399 HydrophobicContact CG1-CB 4.17Å; V392-N399 WeakPolarHBondContact CG2-ND2 3.36Å; V392-F439 HydrophobicContact CG1-CB 3.75Å; V392-F439 HydrophobicContact CG1-CD2 4.38Å; V392-F439 HydrophobicContact CG1-CG 4.19Å
393P91.2Very high91.4Very high101 Ų10142.6 Ų42.666%0.65622%0.22SC*.THydrogen-bonded Turntrans-74.3-16.9-171.727.7-35.2000114.2K349K349-P393 WeakPolarHBondContact CD-O 3.38Å
394Y92.5Very high91.6Very high22 Ų2242.9 Ų42.99%0.08623%0.227CC..THydrogen-bonded Turntrans-97.2-9.1-17152.1-97.2000114.8W350 P379 V392 F439W350-Y394 AromaticContact CE3-CD2 3.87Å; W350-Y394 HydrophobicContact CE3-CD2 3.87Å; W350-Y394 HydrophobicContact CE3-CE1 4.48Å; W350-Y394 AromaticContact CE3-CE2 3.8Å; W350-Y394 HydrophobicContact CE3-CE2 3.8Å; W350-Y394 HydrophobicContact CE3-CG 4.22Å; W350-Y394 HydrophobicContact CZ3-CD2 4.35Å; W350-Y394 HydrophobicContact CZ3-CE1 4.37Å; W350-Y394 AromaticContact CZ3-CE2 3.82Å; W350-Y394 HydrophobicContact CZ3-CE2 3.82Å; W350-Y394 AromaticContact CZ3-CZ 3.8Å; P379-Y394 HydrophobicContact CB-CD1 4.36Å; P379-Y394 HydrophobicContact CB-CE1 3.54Å; V392-Y394 VanDerWaalsContact C-N 3.28Å; V392-Y394 HydrophobicContact CB-CD1 4.11Å; V392-Y394 HydrophobicContact CB-CE1 3.63Å; V392-Y394 HydrophobicContact CB-CE2 4.31Å; V392-Y394 HydrophobicContact CG1-CE1 4.27Å; V392-Y394 HydrophobicContact CG2-CD1 4.05Å; V392-Y394 HydrophobicContact CG2-CD2 3.82Å; V392-Y394 HydrophobicContact CG2-CE1 3.73Å; V392-Y394 HydrophobicContact CG2-CE2 3.49Å; V392-Y394 VanDerWaalsContact CG2-CE2 3.49Å; V392-Y394 HydrophobicContact CG2-CG 4.1Å; V392-Y394 VanDerWaalsContact CG2-CZ 3.47Å; V392-Y394 PolarHBondContact O-N 2.75Å; Y394-F439 VanDerWaalsContact OH-CB 3.3Å; Y394-F439 WeakPolarHBondContact OH-CB 3.4Å; Y394-F439 PolarHBondContact OH-O 3.28Å
395N93.2Very high92Very high36 Ų3642.5 Ų42.519%0.19322%0.222CC..SBendtrans-143.2164.1171.76937.6000111.3V392 A397 N399V392-N395 WeakPolarHBondContact CG2-OD1 3.35Å; V392-N395 VanDerWaalsContact O-O 3.1Å; N395-A397 VanDerWaalsContact C-N 3.34Å; N395-A397 PolarHBondContact O-N 3.42Å; N395-A397 WeakPolarHBondContact OD1-CB 3.49Å; N395-A397 PolarHBondContact OD1-N 3.06Å; N395-N399 PolarHBondContact ND2-OD1 2.74Å; N395-N399 PolarHBondContact OD1-ND2 3.18Å; N395-N399 PolarHBondContact OD1-OD1 2.92Å
396K93.9Very high92.5Very high110 Ų11042.3 Ų42.348%0.47822%0.219SC..SBendtrans-9857.3176.7-67.1-178176.9-177.20110.5C454 T455K396-C454 VanDerWaalsContact O-CB 3.29Å; K396-C454 WeakPolarHBondContact O-CB 3.31Å; K396-C454 PolarHBondContact O-N 2.85Å; K396-T455 HydrophobicContact CB-CG2 3.94Å; K396-T455 HydrophobicContact CD-CG2 3.51Å; K396-T455 HydrophobicContact CG-CG2 4.39Å
397A96.1Very high93.3Very high2 Ų246.1 Ų46.12%0.01723%0.23CC..BIsolated β-bridgetrans-138.6161.6178.500000110.4N395 N399 A441 S452 V453 C478N395-A397 VanDerWaalsContact C-N 3.34Å; N395-A397 PolarHBondContact O-N 3.42Å; N395-A397 WeakPolarHBondContact OD1-CB 3.49Å; N395-A397 PolarHBondContact OD1-N 3.06Å; A397-N399 PolarHBondContact O-ND2 2.71Å; A397-A441 HydrophobicContact CB-CB 3.69Å; A397-S452 VanDerWaalsContact CA-O 3.24Å; A397-S452 WeakPolarHBondContact CA-O 2.98Å; A397-S452 VanDerWaalsContact CB-O 3.3Å; A397-S452 WeakPolarHBondContact CB-O 3.41Å; A397-V453 HydrophobicContact CB-CG2 4.4Å; A397-C478 WeakPolarHBondContact O-CB 3.5Å; A397-C478 PolarHBondContact O-SG 3.39Å
398Y95.3Very high93.9Very high2 Ų250 Ų501%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-86141.2155.753.2-87.4000109.2A389 I442 I445 S452 C478 M501 A503 C505A389-Y398 HydrophobicContact CB-CD2 4.08Å; Y398-I442 HydrophobicContact CD2-CD1 4.01Å; Y398-I442 HydrophobicContact CE2-CD1 3.81Å; Y398-I445 HydrophobicContact CE2-CD1 4.06Å; Y398-I445 WeakPolarHBondContact OH-CD1 3.38Å; Y398-S452 VanDerWaalsContact CD2-CB 3.43Å; Y398-S452 PolarHBondContact N-O 2.95Å; Y398-S452 WeakPolarHBondContact O-CB 3.3Å; Y398-S452 PolarHBondContact O-OG 2.64Å; Y398-C478 VanDerWaalsContact CA-SG 3.57Å; Y398-C478 VanDerWaalsContact CB-SG 3.59Å; Y398-M501 HydrophobicContact CD2-CE 4.43Å; Y398-M501 HydrophobicContact CE2-CE 3.6Å; Y398-A503 HydrophobicContact CG-CB 4.49Å; Y398-C505 VanDerWaalsContact CE1-SG 3.53Å
399N95.1Very high94.3Very high0 Ų052.3 Ų52.30%025%0.251CS..EExtended strand (participates in β ladder)trans-128.8142.2-166-63.2-100.8000110.5A389 Q390 V392 N395 A397 F439 Q440 A441A389-N399 CarbonylContact C-O 3.47Å; A389-N399 VanDerWaalsContact CA-O 3.24Å; A389-N399 WeakPolarHBondContact CA-O 3.22Å; Q390-N399 PolarHBondContact N-O 3.36Å; Q390-N399 PolarHBondContact O-N 2.93Å; V392-N399 HydrophobicContact CG1-CB 4.17Å; V392-N399 WeakPolarHBondContact CG2-ND2 3.36Å; N395-N399 PolarHBondContact ND2-OD1 2.74Å; N395-N399 PolarHBondContact OD1-ND2 3.18Å; N395-N399 PolarHBondContact OD1-OD1 2.92Å; A397-N399 PolarHBondContact O-ND2 2.71Å; N399-F439 HydrophobicContact CB-CB 3.78Å; N399-Q440 CarbonylContact C-O 3.57Å; N399-Q440 WeakPolarHBondContact CA-O 3.3Å; N399-Q440 WeakPolarHBondContact CB-O 3.29Å; N399-Q440 WeakPolarHBondContact OD1-CA 3.27Å; N399-A441 PolarHBondContact OD1-N 2.85Å
400L93.9Very high94.4Very high28 Ų2853 Ų5315%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-104.9156.8169.1-72.9173.3000109.9P386 A389 N402 F439 Q440 I442P386-L400 VanDerWaalsContact O-CD2 3.3Å; P386-L400 WeakPolarHBondContact O-CD2 3.47Å; A389-L400 HydrophobicContact CB-CD2 3.78Å; A389-L400 HydrophobicContact CB-CG 4.21Å; A389-L400 VanDerWaalsContact N-CD2 3.32Å; L400-N402 PolarHBondContact O-N 2.94Å; L400-F439 WeakPolarHBondContact O-CA 3.24Å; L400-Q440 PolarHBondContact N-O 3.38Å; L400-Q440 PolarHBondContact O-N 3.49Å; L400-I442 HydrophobicContact CD1-CD1 3.51Å; L400-I442 HydrophobicContact CD1-CG1 3.97Å; L400-I442 HydrophobicContact CG-CD1 3.83Å; L400-I442 HydrophobicContact CG-CG1 4.14Å
401C95.2Very high94.5Very high12 Ų1254.1 Ų54.18%0.08127%0.265CS..EExtended strand (participates in β ladder)trans-66.3118165.5-173.30000108.2C381 Y383 M403 L438 F439C381-C401 HydrophobicContact CB-CB 3.8Å; C381-C401 WeakPolarHBondContact CB-SG 3.26Å; C381-C401 WeakPolarHBondContact SG-CA 3.44Å; C381-C401 WeakPolarHBondContact SG-CB 3.09Å; C381-C401 CovalentContact SG-SG 2.02Å; C381-C401 PolarHBondContact SG-SG 2.79Å; Y383-C401 HydrophobicContact CE2-CB 4.15Å; Y383-C401 PolarHBondContact O-SG 3.06Å; C401-M403 PolarHBondContact O-N 2.78Å; C401-L438 WeakPolarHBondContact CA-O 3.3Å; C401-F439 HydrophobicContact CB-CD1 4.41Å; C401-F439 HydrophobicContact CB-CE1 4.15Å
402N94.8Very high94.6Very high14 Ų1455.7 Ų55.78%0.07527%0.274CS..  trans-75.431.9179.873.1-21.7000113.1L400 D429 A437 L438 Q440L400-N402 PolarHBondContact O-N 2.94Å; N402-D429 PolarHBondContact ND2-OD1 2.85Å; N402-D429 PolarHBondContact O-N 3.05Å; N402-A437 VanDerWaalsContact OD1-CA 3.22Å; N402-A437 WeakPolarHBondContact OD1-CA 3.25Å; N402-A437 WeakPolarHBondContact OD1-CB 3.32Å; N402-L438 PolarHBondContact N-O 3.25Å; N402-L438 VanDerWaalsContact ND2-CD2 3.27Å; N402-L438 WeakPolarHBondContact ND2-CD2 3.38Å; N402-L438 PolarHBondContact OD1-N 3.02Å; N402-L438 PolarHBondContact OD1-O 3.35Å; N402-Q440 HydrophobicContact CB-CB 4.2Å; N402-Q440 PolarHBondContact ND2-OE1 3.24Å
403M95.3Very high94.6Very high6 Ų657 Ų573%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-68133.5175.7-173.965.871.600109.6Y383 F384 C401 V417 L426 A427 A437Y383-M403 WeakPolarHBondContact O-CB 3.5Å; F384-M403 HydrophobicContact CB-CB 4.45Å; F384-M403 HydrophobicContact CB-CG 4.03Å; F384-M403 HydrophobicContact CD2-CB 4.14Å; F384-M403 HydrophobicContact CD2-CG 4.18Å; F384-M403 WeakPolarHBondContact CD2-O 3.36Å; F384-M403 VanDerWaalsContact CE2-O 3.3Å; F384-M403 WeakPolarHBondContact CE2-O 3.46Å; C401-M403 PolarHBondContact O-N 2.78Å; M403-V417 HydrophobicContact CE-CG2 3.36Å; M403-V417 HydrophobicContact SD-CG2 3.95Å; M403-L426 HydrophobicContact CG-CB 4.5Å; M403-L426 HydrophobicContact CG-CD2 4.45Å; M403-L426 HydrophobicContact SD-CB 3.78Å; M403-A427 VanDerWaalsContact SD-C 3.59Å; M403-A427 PolarHBondContact SD-N 3.2Å; M403-A427 VanDerWaalsContact SD-O 3.41Å; M403-A437 HydrophobicContact CB-CB 4.25Å; M403-A437 HydrophobicContact CE-CB 3.54Å; M403-A437 HydrophobicContact SD-CB 4.13Å
404V94.5Very high94.8Very high51 Ų5153.7 Ų53.731%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-134.9157.5174.9-61.70000111.1H406 A427 D429V404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; V404-A427 PolarHBondContact N-O 3.26Å; V404-A427 PolarHBondContact O-N 2.99Å; V404-D429 HydrophobicContact CG1-CB 3.96Å; V404-D429 HydrophobicContact CG2-CB 4.04Å
405R94.8Very high95Very high114 Ų11452.7 Ų52.743%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-92.7117.3171.8-170.6-173-174.9-752.2110E422 F425 L426R405-E422 WeakPolarHBondContact CD-OE2 3.47Å; R405-E422 IonicContact CZ-OE1 3.96Å; R405-E422 IonicContact CZ-OE2 3.18Å; R405-E422 VanDerWaalsContact NE-CD 3.31Å; R405-E422 IonicContact NE-OE1 2.85Å; R405-E422 PolarHBondContact NE-OE1 2.83Å; R405-E422 VanDerWaalsContact NE-OE1 3.11Å; R405-E422 IonicContact NE-OE2 2.74Å; R405-E422 PolarHBondContact NE-OE2 3.41Å; R405-E422 IonicContact NH2-OE1 2.77Å; R405-E422 PolarHBondContact NH2-OE1 3.2Å; R405-F425 HydrophobicContact CG-CB 4.35Å; R405-L426 HydrophobicContact CB-CD2 3.98Å; R405-L426 HydrophobicContact CG-CD2 4.34Å
406H94.9Very high95.1Very high49 Ų4951.3 Ų51.323%0.22725%0.245CC..  trans-84.9154.3175.3-65.4-93.5000111.5V404 H408 I410 F425V404-H406 WeakPolarHBondContact CG2-NE2 3.3Å; H406-H408 VanDerWaalsContact C-N 3.34Å; H406-I410 HydrophobicContact CB-CD1 3.89Å; H406-F425 PolarHBondContact N-O 3.11Å
407Q94.6Very high95.1Very high156 Ų15646.2 Ų46.273%0.72922%0.223SC*.SBendtrans-75.4-26.4177-62.3-59.6-28.900112.6
408H94.8Very high94.7Very high155 Ų15549.6 Ų49.672%0.71824%0.243SC*.SBendtrans-112.7151.7-179.5-58.993.8000110.1H406 I410H406-H408 VanDerWaalsContact C-N 3.34Å; H408-I410 PolarHBondContact O-N 3.1Å
409R96.2Very high94.2Very high150 Ų15056.1 Ų56.157%0.56628%0.278SS*.PPolyproline II helixtrans-59.4132.5176.2-165.8-176.5-163.8-161.33.3110.5E424 F425R409-E424 HydrophobicContact CG-CB 4.13Å; R409-E424 HydrophobicContact CG-CG 4.32Å; R409-E424 IonicContact CZ-OE2 3.97Å; R409-E424 IonicContact NE-OE2 3.27Å; R409-E424 PolarHBondContact NE-OE2 3.28Å; R409-E424 IonicContact NH2-OE2 2.92Å; R409-E424 PolarHBondContact NH2-OE2 3.07Å; R409-F425 HydrophobicContact CB-CE1 4.1Å
410I95.4Very high93.9Very high18 Ų1859.9 Ų59.99%0.09230%0.296CS..PPolyproline II helixtrans-72.2139177-56.1-57.6000109.3H406 H408 K414 Q415 E424 A427H406-I410 HydrophobicContact CB-CD1 3.89Å; H408-I410 PolarHBondContact O-N 3.1Å; I410-K414 HydrophobicContact CG2-CB 3.72Å; I410-Q415 HydrophobicContact CB-CG 3.89Å; I410-Q415 HydrophobicContact CG2-CG 3.98Å; I410-Q415 PolarHBondContact O-NE2 3.18Å; I410-E424 PolarHBondContact N-O 3.3Å; I410-A427 HydrophobicContact CD1-CB 4.03Å; I410-A427 HydrophobicContact CG1-CB 4.08Å; I410-A427 HydrophobicContact CG2-CB 4.42Å
411P95.1Very high93.7Very high64 Ų6470 Ų7042%0.41633%0.332SS..PPolyproline II helixtrans-53.3139.3173.6-28.336.6000111.9D413 K414 Q415P411-D413 WeakPolarHBondContact CB-OD1 3.2Å; P411-D413 PolarHBondContact O-N 3.08Å; P411-D413 VanDerWaalsContact O-N 3.09Å; P411-K414 WeakPolarHBondContact O-CA 2.96Å; P411-K414 PolarHBondContact O-N 3.3Å; P411-Q415 PolarHBondContact O-N 3.45Å
412P95.7Very high93.6Very high62 Ų6272.8 Ų72.840%0.40334%0.344SS..G310 helixtrans-53.3-35.8-174-29.535.7000114.6S256 M258 V259 K414 Q415S256-P412 WeakPolarHBondContact CB-O 3.41Å; S256-P412 PolarHBondContact OG-O 3.4Å; M258-P412 HydrophobicContact CB-CB 4.12Å; V259-P412 HydrophobicContact CG1-CB 3.94Å; V259-P412 HydrophobicContact CG2-CB 4.3Å; P412-K414 PolarHBondContact O-N 2.81Å; P412-Q415 PolarHBondContact O-N 3.38Å
413D94.5Very high93.5Very high46 Ų4674.7 Ų74.725%0.24635%0.352CS..G310 helixtrans-72.9-11.9179.268-56000114W254 S256 V259 R263 P411W254-D413 PolarHBondContact NE1-O 2.87Å; S256-D413 WeakPolarHBondContact CB-O 3.49Å; V259-D413 HydrophobicContact CG2-CB 3.82Å; R263-D413 IonicContact CZ-OD2 2.7Å; R263-D413 IonicContact NE-OD2 2.85Å; R263-D413 IonicContact NH2-OD2 3.84Å; R263-D413 PolarHBondContact NH2-OD2 2.95Å; P411-D413 WeakPolarHBondContact CB-OD1 3.2Å; P411-D413 PolarHBondContact O-N 3.08Å; P411-D413 VanDerWaalsContact O-N 3.09Å
414K95.2Very high93.5Very high31 Ų3176.9 Ų76.914%0.13536%0.362CS..G310 helixtrans-109.43.3176.4-61.2-176.1-1801760112.9E294 I410 P411 P412 H416 D434E294-K414 WeakPolarHBondContact OE1-CE 3.21Å; E294-K414 IonicContact OE1-NZ 3.71Å; E294-K414 PolarHBondContact OE1-NZ 2.99Å; E294-K414 IonicContact OE2-NZ 3.53Å; E294-K414 PolarHBondContact OE2-NZ 3.03Å; I410-K414 HydrophobicContact CG2-CB 3.72Å; P411-K414 WeakPolarHBondContact O-CA 2.96Å; P411-K414 PolarHBondContact O-N 3.3Å; P412-K414 PolarHBondContact O-N 2.81Å; K414-H416 PolarHBondContact O-CD2 3.34Å; K414-H416 PolarHBondContact O-N 2.84Å; K414-D434 WeakPolarHBondContact CB-O 3.42Å; K414-D434 WeakPolarHBondContact CG-O 3.3Å
415Q96Very high93.6Very high1 Ų176.8 Ų76.81%0.00536%0.358CS..  trans-83.1110.1175.6-71-177.733.500109.8S256 A257 M258 I410 P411 P412S256-Q415 WeakPolarHBondContact CB-O 3.02Å; A257-Q415 VanDerWaalsContact CB-O 3.23Å; A257-Q415 WeakPolarHBondContact CB-O 3.36Å; A257-Q415 PolarHBondContact N-O 2.99Å; M258-Q415 HydrophobicContact CG-CB 3.88Å; M258-Q415 HydrophobicContact CG-CG 4.48Å; M258-Q415 VanDerWaalsContact CG-OE1 3.28Å; I410-Q415 HydrophobicContact CB-CG 3.89Å; I410-Q415 HydrophobicContact CG2-CG 3.98Å; I410-Q415 PolarHBondContact O-NE2 3.18Å; P411-Q415 PolarHBondContact O-N 3.45Å; P412-Q415 PolarHBondContact O-N 3.38Å
416H95.8Very high93.6Very high7 Ų771.6 Ų71.63%0.03234%0.338CS..  trans-113.8-11.4-174.7-64.3-61.7000114.9W254 C363 S364 K414 D434W254-H416 AromaticContact CZ2-CE1 3.81Å; W254-H416 AromaticContact CZ2-NE2 3.87Å; C363-H416 VanDerWaalsContact SG-CD2 3.57Å; S364-H416 WeakPolarHBondContact OG-CA 3.36Å; S364-H416 VanDerWaalsContact OG-CB 3.24Å; S364-H416 WeakPolarHBondContact OG-CB 3.32Å; S364-H416 PolarHBondContact OG-ND1 3.31Å; S364-H416 PolarHBondContact OG-O 3.06Å; K414-H416 PolarHBondContact O-CD2 3.34Å; K414-H416 PolarHBondContact O-N 2.84Å; H416-D434 PolarHBondContact NE2-O 3.39Å
417V93.9Very high93.7Very high3 Ų369.4 Ų69.42%0.01833%0.329CS..  trans-82.4131.2177.5-178.90000109.9D382 M403 H420 H423 L426D382-V417 HydrophobicContact CB-CG2 4.42Å; M403-V417 HydrophobicContact CE-CG2 3.36Å; M403-V417 HydrophobicContact SD-CG2 3.95Å; V417-H420 HydrophobicContact CG1-CB 3.65Å; V417-H423 HydrophobicContact CB-CB 3.99Å; V417-H423 HydrophobicContact CG1-CB 3.95Å; V417-H423 WeakPolarHBondContact O-CB 3.45Å; V417-L426 HydrophobicContact CB-CB 4.44Å; V417-L426 HydrophobicContact CG1-CD1 4.34Å; V417-L426 HydrophobicContact CG2-CB 3.86Å
418T86.9Confident93.7Very high73 Ų7362.1 Ų62.145%0.44830%0.296SS..  trans-112.3-29.618048.80000113A257A257-T418 HydrophobicContact CB-CG2 3.7Å
419N85Confident93.6Very high138 Ų13858.3 Ų58.374%0.73828%0.281SS*.SBendtrans-111.141.8-168.4-63.4-35.8000112.8
420H89.6Confident93.3Very high80 Ų8052.1 Ų52.137%0.3726%0.26SS..  trans-142.2143.9177.2-164.5-93.5000112.1V417 E422 H423 L426V417-H420 HydrophobicContact CG1-CB 3.65Å; H420-E422 VanDerWaalsContact C-N 3.3Å; H420-E422 PolarHBondContact ND1-N 2.73Å; H420-E422 PolarHBondContact O-N 3.15Å; H420-H423 WeakPolarHBondContact O-CB 3.46Å; H420-H423 PolarHBondContact O-N 2.97Å; H420-H423 PolarHBondContact O-ND1 3.36Å; H420-L426 HydrophobicContact CB-CD1 3.88Å; H420-L426 VanDerWaalsContact CG-CD1 3.49Å; H420-L426 VanDerWaalsContact ND1-CD1 3.27Å; H420-L426 WeakPolarHBondContact ND1-CD1 3.2Å
421R90.2Very high93Very high241 Ų24159.4 Ų59.491%0.90929%0.291SS*.THydrogen-bonded Turntrans-61.3-39.2-179.4-70-174.9-179.8-176.50.2112.3
422E92.6Very high92.8Very high70 Ų7057.6 Ų57.633%0.32728%0.278SS..THydrogen-bonded Turntrans-96.628.7178-55.9-169.5124.600113.1R405 H420 E424 F425 L426R405-E422 WeakPolarHBondContact CD-OE2 3.47Å; R405-E422 IonicContact CZ-OE1 3.96Å; R405-E422 IonicContact CZ-OE2 3.18Å; R405-E422 VanDerWaalsContact NE-CD 3.31Å; R405-E422 IonicContact NE-OE1 2.85Å; R405-E422 PolarHBondContact NE-OE1 2.83Å; R405-E422 VanDerWaalsContact NE-OE1 3.11Å; R405-E422 IonicContact NE-OE2 2.74Å; R405-E422 PolarHBondContact NE-OE2 3.41Å; R405-E422 IonicContact NH2-OE1 2.77Å; R405-E422 PolarHBondContact NH2-OE1 3.2Å; H420-E422 VanDerWaalsContact C-N 3.3Å; H420-E422 PolarHBondContact ND1-N 2.73Å; H420-E422 PolarHBondContact O-N 3.15Å; E422-E424 PolarHBondContact O-N 3.19Å; E422-F425 HydrophobicContact CB-CD2 4.42Å; E422-F425 PolarHBondContact O-N 2.91Å; E422-L426 PolarHBondContact O-N 2.88Å
423H92.8Very high92.7Very high53 Ų5354.6 Ų54.625%0.24526%0.259CS..G310 helixtrans-51.5-33-174.959.1-87.6000114V417 H420 F425 L426V417-H423 HydrophobicContact CB-CB 3.99Å; V417-H423 HydrophobicContact CG1-CB 3.95Å; V417-H423 WeakPolarHBondContact O-CB 3.45Å; H420-H423 WeakPolarHBondContact O-CB 3.46Å; H420-H423 PolarHBondContact O-N 2.97Å; H420-H423 PolarHBondContact O-ND1 3.36Å; H423-F425 PolarHBondContact O-N 3.31Å; H423-L426 PolarHBondContact O-N 3.2Å
424E94.8Very high92.7Very high53 Ų5352.5 Ų52.525%0.24825%0.248CC..G310 helixtrans-71.1-6.7179.569.9-172156.700114.7R409 I410 E422R409-E424 HydrophobicContact CG-CB 4.13Å; R409-E424 HydrophobicContact CG-CG 4.32Å; R409-E424 IonicContact CZ-OE2 3.97Å; R409-E424 IonicContact NE-OE2 3.27Å; R409-E424 PolarHBondContact NE-OE2 3.28Å; R409-E424 IonicContact NH2-OE2 2.92Å; R409-E424 PolarHBondContact NH2-OE2 3.07Å; I410-E424 PolarHBondContact N-O 3.3Å; E422-E424 PolarHBondContact O-N 3.19Å
425F96.1Very high92.7Very high49 Ų4951.4 Ų51.422%0.21525%0.245CC..G310 helixtrans-116.41.1176.1-60.5-79.7000113R405 H406 R409 E422 H423R405-F425 HydrophobicContact CG-CB 4.35Å; H406-F425 PolarHBondContact N-O 3.11Å; R409-F425 HydrophobicContact CB-CE1 4.1Å; E422-F425 HydrophobicContact CB-CD2 4.42Å; E422-F425 PolarHBondContact O-N 2.91Å; H423-F425 PolarHBondContact O-N 3.31Å
426L95.6Very high92.7Very high4 Ų451.3 Ų51.32%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-107.1124.8-176.7-68.3-176000111.2M403 R405 V417 H420 E422 H423M403-L426 HydrophobicContact CG-CB 4.5Å; M403-L426 HydrophobicContact CG-CD2 4.45Å; M403-L426 HydrophobicContact SD-CB 3.78Å; R405-L426 HydrophobicContact CB-CD2 3.98Å; R405-L426 HydrophobicContact CG-CD2 4.34Å; V417-L426 HydrophobicContact CB-CB 4.44Å; V417-L426 HydrophobicContact CG1-CD1 4.34Å; V417-L426 HydrophobicContact CG2-CB 3.86Å; H420-L426 HydrophobicContact CB-CD1 3.88Å; H420-L426 VanDerWaalsContact CG-CD1 3.49Å; H420-L426 VanDerWaalsContact ND1-CD1 3.27Å; H420-L426 WeakPolarHBondContact ND1-CD1 3.2Å; E422-L426 PolarHBondContact O-N 2.88Å; H423-L426 PolarHBondContact O-N 3.2Å
427A96Very high92.7Very high4 Ų451.1 Ų51.13%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-152.5170.6174.500000110.4M403 V404 I410M403-A427 VanDerWaalsContact SD-C 3.59Å; M403-A427 PolarHBondContact SD-N 3.2Å; M403-A427 VanDerWaalsContact SD-O 3.41Å; V404-A427 PolarHBondContact N-O 3.26Å; V404-A427 PolarHBondContact O-N 2.99Å; I410-A427 HydrophobicContact CD1-CB 4.03Å; I410-A427 HydrophobicContact CG1-CB 4.08Å; I410-A427 HydrophobicContact CG2-CB 4.42Å
428G95.2Very high92.8Very high3 Ų351 Ų513%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-58.9146.816600000111.3S430 G435G428-S430 PolarHBondContact O-N 2.02Å; G428-G435 PolarHBondContact N-O 2.87Å; G428-G435 VanDerWaalsContact N-O 3.1Å
429D92.4Very high93.2Very high75 Ų7547.9 Ų47.940%0.40122%0.224SC..SBendtrans-60.5-29.6-177.367.1-11.3000114.5N402 V404N402-D429 PolarHBondContact ND2-OD1 2.85Å; N402-D429 PolarHBondContact O-N 3.05Å; V404-D429 HydrophobicContact CG1-CB 3.96Å; V404-D429 HydrophobicContact CG2-CB 4.04Å
430S90.8Very high93.7Very high19 Ų1943.2 Ų43.213%0.13320%0.197CC..  trans-92.5123179.9163.70000111.8G428 L432 H433G428-S430 PolarHBondContact O-N 2.02Å; S430-L432 PolarHBondContact O-N 3.48Å; S430-L432 PolarHBondContact OG-N 3.46Å; S430-H433 WeakPolarHBondContact CB-ND1 3.18Å; S430-H433 PolarHBondContact O-N 3.01Å; S430-H433 PolarHBondContact OG-ND1 2.93Å
431K88.8Confident93.9Very high171 Ų17139.9 Ų39.974%0.74318%0.184SC*.G310 helixtrans-62.5-26.8175.3-65.7-178.4179.6178.70113.4H433 D434K431-H433 VanDerWaalsContact C-N 3.28Å; K431-H433 PolarHBondContact O-N 2.91Å; K431-D434 PolarHBondContact O-N 3.47Å
432L91.2Very high94.1Very high26 Ų2629.6 Ų29.614%0.13615%0.147CC..G310 helixtrans-80.3-8.5-176-60.4178.2000112.5E292 E294 K306 G316 S430 D434E292-L432 HydrophobicContact CG-CD2 4.27Å; E294-L432 HydrophobicContact CB-CD2 4.08Å; K306-L432 HydrophobicContact CB-CB 3.84Å; K306-L432 WeakPolarHBondContact CB-O 3.39Å; K306-L432 HydrophobicContact CD-CB 3.66Å; K306-L432 HydrophobicContact CD-CD1 4.09Å; K306-L432 HydrophobicContact CG-CB 4.26Å; G316-L432 WeakPolarHBondContact O-CD1 3.16Å; S430-L432 PolarHBondContact O-N 3.48Å; S430-L432 PolarHBondContact OG-N 3.46Å; L432-D434 PolarHBondContact O-N 3.43Å
433H93.9Very high94Very high0 Ų029.8 Ų29.80%015%0.154CC..G310 helixtrans-91.419.8171.1-65.1100.4000112.4K306 N310 S430 K431 G435 C436 L438K306-H433 WeakPolarHBondContact CE-CE1 3.38Å; N310-H433 PolarHBondContact OD1-NE2 2.96Å; S430-H433 WeakPolarHBondContact CB-ND1 3.18Å; S430-H433 PolarHBondContact O-N 3.01Å; S430-H433 PolarHBondContact OG-ND1 2.93Å; K431-H433 VanDerWaalsContact C-N 3.28Å; K431-H433 PolarHBondContact O-N 2.91Å; H433-G435 PolarHBondContact O-N 3.19Å; H433-G435 VanDerWaalsContact O-N 3.14Å; H433-C436 HydrophobicContact CB-CB 4.49Å; H433-C436 WeakPolarHBondContact O-CB 3.39Å; H433-C436 PolarHBondContact O-N 2.97Å; H433-C436 PolarHBondContact O-SG 2.81Å; H433-L438 HydrophobicContact CB-CD2 4.46Å
434D94.1Very high93.9Very high2 Ų231.2 Ų31.21%0.01116%0.163CC..THydrogen-bonded Turntrans57.925.6-179.5-78.7-50.3000114.9W254 R263 K414 H416 K431 L432 C436W254-D434 HydrophobicContact CH2-CB 3.74Å; W254-D434 WeakPolarHBondContact CH2-OD2 3.25Å; W254-D434 HydrophobicContact CZ2-CB 3.72Å; R263-D434 IonicContact CZ-OD1 3.15Å; R263-D434 IonicContact NH1-OD1 2.82Å; R263-D434 PolarHBondContact NH1-OD1 2.91Å; R263-D434 IonicContact NH1-OD2 2.68Å; R263-D434 PolarHBondContact NH1-OD2 3.44Å; R263-D434 VanDerWaalsContact NH1-OD2 3.11Å; R263-D434 IonicContact NH2-OD1 3.41Å; K414-D434 WeakPolarHBondContact CB-O 3.42Å; K414-D434 WeakPolarHBondContact CG-O 3.3Å; H416-D434 PolarHBondContact NE2-O 3.39Å; K431-D434 PolarHBondContact O-N 3.47Å; L432-D434 PolarHBondContact O-N 3.43Å; D434-C436 VanDerWaalsContact C-N 3.26Å; D434-C436 PolarHBondContact O-N 2.86Å
435G94.5Very high93.7Very high7 Ų729.1 Ų29.17%0.07215%0.153CC..THydrogen-bonded Turntrans82.6-2-174.900000114.3G428 H433 A437G428-G435 PolarHBondContact N-O 2.87Å; G428-G435 VanDerWaalsContact N-O 3.1Å; H433-G435 PolarHBondContact O-N 3.19Å; H433-G435 VanDerWaalsContact O-N 3.14Å; G435-A437 PolarHBondContact O-N 2.72Å
436C96.8Very high93.1Very high0 Ų034 Ų340%018%0.177CC..  trans-69.1124.3173.9-62.80000111C363 W380 H433 D434C363-C436 HydrophobicContact CB-CB 3.66Å; C363-C436 WeakPolarHBondContact CB-SG 3.33Å; C363-C436 WeakPolarHBondContact SG-CA 3.42Å; C363-C436 WeakPolarHBondContact SG-CB 3.32Å; C363-C436 CovalentContact SG-SG 2.02Å; C363-C436 PolarHBondContact SG-SG 2.68Å; W380-C436 HydrophobicContact CD2-CB 4.38Å; W380-C436 HydrophobicContact CE3-CB 3.7Å; W380-C436 HydrophobicContact CH2-CB 4.27Å; W380-C436 HydrophobicContact CZ3-CB 3.63Å; H433-C436 HydrophobicContact CB-CB 4.49Å; H433-C436 WeakPolarHBondContact O-CB 3.39Å; H433-C436 PolarHBondContact O-N 2.97Å; H433-C436 PolarHBondContact O-SG 2.81Å; D434-C436 VanDerWaalsContact C-N 3.26Å; D434-C436 PolarHBondContact O-N 2.86Å
437A96.7Very high92.6Very high3 Ų336.7 Ų36.73%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-85.3143.2166.500000110.3W380 C381 N402 M403 G435W380-A437 WeakPolarHBondContact CA-O 3.48Å; C381-A437 PolarHBondContact N-O 3.15Å; C381-A437 WeakPolarHBondContact O-CB 3.46Å; C381-A437 VanDerWaalsContact SG-C 3.56Å; N402-A437 VanDerWaalsContact OD1-CA 3.22Å; N402-A437 WeakPolarHBondContact OD1-CA 3.25Å; N402-A437 WeakPolarHBondContact OD1-CB 3.32Å; M403-A437 HydrophobicContact CB-CB 4.25Å; M403-A437 HydrophobicContact CE-CB 3.54Å; M403-A437 HydrophobicContact SD-CB 4.13Å; G435-A437 PolarHBondContact O-N 2.72Å
438L95.8Very high92.2Very high0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-134.5163.6-176.761.8150.2000111.3N310 W350 P379 W380 C381 C401 N402 H433 Q440N310-L438 WeakPolarHBondContact OD1-CD1 3.49Å; W350-L438 HydrophobicContact CH2-CB 3.99Å; W350-L438 HydrophobicContact CH2-CD1 3.56Å; W350-L438 HydrophobicContact CH2-CG 4.39Å; W350-L438 HydrophobicContact CZ3-CD1 3.75Å; P379-L438 VanDerWaalsContact O-CA 3.31Å; P379-L438 WeakPolarHBondContact O-CA 3.46Å; W380-L438 HydrophobicContact CE3-CB 3.76Å; W380-L438 HydrophobicContact CZ3-CB 3.86Å; W380-L438 HydrophobicContact CZ3-CD2 4.21Å; C381-L438 VanDerWaalsContact SG-C 3.57Å; C401-L438 WeakPolarHBondContact CA-O 3.3Å; N402-L438 PolarHBondContact N-O 3.25Å; N402-L438 VanDerWaalsContact ND2-CD2 3.27Å; N402-L438 WeakPolarHBondContact ND2-CD2 3.38Å; N402-L438 PolarHBondContact OD1-N 3.02Å; N402-L438 PolarHBondContact OD1-O 3.35Å; H433-L438 HydrophobicContact CB-CD2 4.46Å; L438-Q440 PolarHBondContact O-N 3.44Å
439F95.3Very high91.9Very high8 Ų840 Ų404%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-76.3114.8168.1-59.9-66.6000110.1P379 C381 Y383 Q390 V392 Y394 N399 L400 C401P379-F439 WeakPolarHBondContact O-CD2 3.38Å; P379-F439 PolarHBondContact O-N 3.41Å; C381-F439 HydrophobicContact CB-CE1 3.84Å; C381-F439 HydrophobicContact CB-CE2 4.07Å; C381-F439 HydrophobicContact CB-CZ 3.57Å; Y383-F439 HydrophobicContact CE1-CE1 4.4Å; Y383-F439 HydrophobicContact CE1-CZ 4.17Å; Y383-F439 AromaticContact CZ-CE1 3.93Å; Y383-F439 WeakPolarHBondContact OH-CE1 3.26Å; Y383-F439 WeakPolarHBondContact OH-CZ 3.37Å; Q390-F439 HydrophobicContact CG-CD1 4.43Å; Q390-F439 VanDerWaalsContact NE2-CE2 3.31Å; V392-F439 HydrophobicContact CG1-CB 3.75Å; V392-F439 HydrophobicContact CG1-CD2 4.38Å; V392-F439 HydrophobicContact CG1-CG 4.19Å; Y394-F439 VanDerWaalsContact OH-CB 3.3Å; Y394-F439 WeakPolarHBondContact OH-CB 3.4Å; Y394-F439 PolarHBondContact OH-O 3.28Å; N399-F439 HydrophobicContact CB-CB 3.78Å; L400-F439 WeakPolarHBondContact O-CA 3.24Å; C401-F439 HydrophobicContact CB-CD1 4.41Å; C401-F439 HydrophobicContact CB-CE1 4.15Å
440Q94.3Very high91.9Very high39 Ų3937 Ų3718%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-123.3146.9-177.2-165.1-17914.300111.1E319 N399 L400 N402 L438E319-Q440 PolarHBondContact OE2-NE2 3.29Å; N399-Q440 CarbonylContact C-O 3.57Å; N399-Q440 WeakPolarHBondContact CA-O 3.3Å; N399-Q440 WeakPolarHBondContact CB-O 3.29Å; N399-Q440 WeakPolarHBondContact OD1-CA 3.27Å; L400-Q440 PolarHBondContact N-O 3.38Å; L400-Q440 PolarHBondContact O-N 3.49Å; N402-Q440 HydrophobicContact CB-CB 4.2Å; N402-Q440 PolarHBondContact ND2-OE1 3.24Å; L438-Q440 PolarHBondContact O-N 3.44Å
441A95.1Very high92.1Very high11 Ų1136.1 Ų36.19%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-64.7142.1173.900000109.7L320 A397 N399 P443 S452 V453L320-A441 HydrophobicContact CD2-CB 4.4Å; A397-A441 HydrophobicContact CB-CB 3.69Å; N399-A441 PolarHBondContact OD1-N 2.85Å; A441-P443 WeakPolarHBondContact O-CD 3.4Å; A441-S452 WeakPolarHBondContact CA-OG 3.2Å; A441-V453 HydrophobicContact CB-CG2 4.19Å
442I93.3Very high92.5Very high25 Ų2528 Ų2813%0.12817%0.169CC..  trans-78.3119.9-177.8-48.7177.7000108.2Y398 L400 I445 T451 S452 M501Y398-I442 HydrophobicContact CD2-CD1 4.01Å; Y398-I442 HydrophobicContact CE2-CD1 3.81Å; L400-I442 HydrophobicContact CD1-CD1 3.51Å; L400-I442 HydrophobicContact CD1-CG1 3.97Å; L400-I442 HydrophobicContact CG-CD1 3.83Å; L400-I442 HydrophobicContact CG-CG1 4.14Å; I442-I445 HydrophobicContact CB-CG1 3.95Å; I442-I445 HydrophobicContact CD1-CG1 4.48Å; I442-I445 HydrophobicContact CG2-CG1 3.62Å; I442-T451 CarbonylContact O-C 3.58Å; I442-T451 WeakPolarHBondContact O-CA 3.45Å; I442-T451 WeakPolarHBondContact O-CB 3.3Å; I442-S452 PolarHBondContact N-OG 3.13Å; I442-S452 PolarHBondContact O-N 3.4Å; I442-M501 HydrophobicContact CD1-CE 3.98Å; I442-M501 HydrophobicContact CD1-SD 3.82Å
443P90.8Very high92.7Very high73 Ų7326.9 Ų26.947%0.47416%0.163SC..SBendtrans-85.2-19.7-172.632.5-35.8000114.4A441 T451A441-P443 WeakPolarHBondContact O-CD 3.4Å; P443-T451 WeakPolarHBondContact O-CG2 3.14Å
444N90.7Very high92.9Very high84 Ų8426.9 Ų26.945%0.44916%0.163SC..SBendtrans-154.783.1-177.5-171.34.6000111.4H446 G447 T448 G449 Q450N444-H446 PolarHBondContact O-N 2.64Å; N444-G447 WeakPolarHBondContact OD1-CA 3.38Å; N444-G447 PolarHBondContact OD1-N 3.4Å; N444-T448 PolarHBondContact OD1-N 2.89Å; N444-T448 VanDerWaalsContact OD1-N 3.12Å; N444-G449 WeakPolarHBondContact OD1-CA 3.3Å; N444-G449 PolarHBondContact OD1-N 3.2Å; N444-Q450 CarbonylContact C-O 3.52Å; N444-Q450 WeakPolarHBondContact CA-O 3.46Å
445I89.8Confident93Very high8 Ų828.7 Ų28.74%0.04118%0.175CC..BIsolated β-bridgetrans-68.3122.5-179.4-62.8166.3000109Y398 I442 G447 T448 Q450Y398-I445 HydrophobicContact CE2-CD1 4.06Å; Y398-I445 WeakPolarHBondContact OH-CD1 3.38Å; I442-I445 HydrophobicContact CB-CG1 3.95Å; I442-I445 HydrophobicContact CD1-CG1 4.48Å; I442-I445 HydrophobicContact CG2-CG1 3.62Å; I445-G447 PolarHBondContact O-N 2.78Å; I445-T448 PolarHBondContact O-N 3.12Å; I445-T448 VanDerWaalsContact O-N 3.1Å; I445-T448 PolarHBondContact O-OG1 2.79Å; I445-Q450 HydrophobicContact CB-CB 4.34Å; I445-Q450 HydrophobicContact CD1-CG 4.23Å; I445-Q450 PolarHBondContact N-O 3.32Å
446H84.1Confident93Very high153 Ų15329 Ų2971%0.70818%0.175SC*.THydrogen-bonded Turntrans52.523.3178.8-52.6-52.8000115N444 T448N444-H446 PolarHBondContact O-N 2.64Å; H446-T448 VanDerWaalsContact C-N 3.28Å; H446-T448 HydrophobicContact CB-CG2 4.32Å; H446-T448 PolarHBondContact O-N 3.19Å
447G85.9Confident93Very high60 Ų6032.6 Ų32.662%0.61920%0.197SC*.THydrogen-bonded Turntrans74.610-179.800000115.2N444 I445N444-G447 WeakPolarHBondContact OD1-CA 3.38Å; N444-G447 PolarHBondContact OD1-N 3.4Å; I445-G447 PolarHBondContact O-N 2.78Å
448T87.6Confident93Very high64 Ų6436.5 Ų36.539%0.39322%0.215SC..THydrogen-bonded Turntrans-86.6-5.1-174.868.50000114.2N444 I445 H446 Q450 R462N444-T448 PolarHBondContact OD1-N 2.89Å; N444-T448 VanDerWaalsContact OD1-N 3.12Å; I445-T448 PolarHBondContact O-N 3.12Å; I445-T448 VanDerWaalsContact O-N 3.1Å; I445-T448 PolarHBondContact O-OG1 2.79Å; H446-T448 VanDerWaalsContact C-N 3.28Å; H446-T448 HydrophobicContact CB-CG2 4.32Å; H446-T448 PolarHBondContact O-N 3.19Å; T448-Q450 PolarHBondContact O-N 3.35Å; T448-Q450 WeakPolarHBondContact OG1-CB 3.39Å; T448-Q450 PolarHBondContact OG1-N 3.09Å; T448-R462 PolarHBondContact O-NH1 2.92Å; T448-R462 VanDerWaalsContact O-NH1 3.09Å
449G87.7Confident93Very high13 Ų1336.5 Ų36.513%0.13422%0.215CC..THydrogen-bonded Turntrans73.65.2-167.900000113.5N444 R462N444-G449 WeakPolarHBondContact OD1-CA 3.3Å; N444-G449 PolarHBondContact OD1-N 3.2Å; G449-R462 WeakPolarHBondContact O-CD 3.37Å
450Q93.1Very high93Very high11 Ų1138.3 Ų38.35%0.05122%0.224CC..BIsolated β-bridgetrans-71.5136.5170.4-174-172.2-1.400109.5N444 I445 T448 N459 R462 L463N444-Q450 CarbonylContact C-O 3.52Å; N444-Q450 WeakPolarHBondContact CA-O 3.46Å; I445-Q450 HydrophobicContact CB-CB 4.34Å; I445-Q450 HydrophobicContact CD1-CG 4.23Å; I445-Q450 PolarHBondContact N-O 3.32Å; T448-Q450 PolarHBondContact O-N 3.35Å; T448-Q450 WeakPolarHBondContact OG1-CB 3.39Å; T448-Q450 PolarHBondContact OG1-N 3.09Å; Q450-N459 WeakPolarHBondContact CA-OD1 3.24Å; Q450-N459 HydrophobicContact CG-CB 4.25Å; Q450-R462 HydrophobicContact CB-CB 3.81Å; Q450-R462 HydrophobicContact CG-CB 4.32Å; Q450-L463 VanDerWaalsContact NE2-CD2 3.29Å
451T95.6Very high92.9Very high0 Ų045 Ų450%026%0.256CS..  trans-105.4168.7171.378.20000111.3Y184 P185 L320 I442 P443 V453 N459Y184-T451 HydrophobicContact CE1-CG2 3.64Å; Y184-T451 VanDerWaalsContact OH-CG2 3.25Å; Y184-T451 WeakPolarHBondContact OH-CG2 3.24Å; Y184-T451 PolarHBondContact OH-OG1 2.96Å; P185-T451 HydrophobicContact CB-CG2 3.85Å; P185-T451 HydrophobicContact CG-CG2 4.08Å; L320-T451 HydrophobicContact CD1-CG2 3.78Å; L320-T451 HydrophobicContact CD2-CG2 3.56Å; L320-T451 HydrophobicContact CG-CG2 4.26Å; I442-T451 CarbonylContact O-C 3.58Å; I442-T451 WeakPolarHBondContact O-CA 3.45Å; I442-T451 WeakPolarHBondContact O-CB 3.3Å; P443-T451 WeakPolarHBondContact O-CG2 3.14Å; T451-V453 VanDerWaalsContact C-N 3.3Å; T451-V453 PolarHBondContact OG1-N 2.61Å; T451-N459 PolarHBondContact N-OD1 3.21Å; T451-N459 PolarHBondContact O-ND2 2.72Å; T451-N459 PolarHBondContact OG1-ND2 2.82Å
452S95.6Very high92.7Very high0 Ų047.8 Ų47.80%026%0.264CS..SBendtrans-86.15.2172.8690000114.6A397 Y398 A441 I442 C454A397-S452 VanDerWaalsContact CA-O 3.24Å; A397-S452 WeakPolarHBondContact CA-O 2.98Å; A397-S452 VanDerWaalsContact CB-O 3.3Å; A397-S452 WeakPolarHBondContact CB-O 3.41Å; Y398-S452 VanDerWaalsContact CD2-CB 3.43Å; Y398-S452 PolarHBondContact N-O 2.95Å; Y398-S452 WeakPolarHBondContact O-CB 3.3Å; Y398-S452 PolarHBondContact O-OG 2.64Å; A441-S452 WeakPolarHBondContact CA-OG 3.2Å; I442-S452 PolarHBondContact N-OG 3.13Å; I442-S452 PolarHBondContact O-N 3.4Å; S452-C454 PolarHBondContact O-N 3.22Å
453V96.6Very high92.5Very high3 Ų347.6 Ų47.62%0.01826%0.263CS..BIsolated β-bridgetrans-74.4107.7-178.4-178.60000109.5L320 A397 A441 T451 T455 D456 N459 F472L320-V453 HydrophobicContact CD2-CG2 3.52Å; L320-V453 HydrophobicContact CG-CG2 4.19Å; A397-V453 HydrophobicContact CB-CG2 4.4Å; A441-V453 HydrophobicContact CB-CG2 4.19Å; T451-V453 VanDerWaalsContact C-N 3.3Å; T451-V453 PolarHBondContact OG1-N 2.61Å; V453-T455 PolarHBondContact O-N 3.25Å; V453-D456 HydrophobicContact CB-CB 4.39Å; V453-D456 HydrophobicContact CG1-CB 4.32Å; V453-D456 PolarHBondContact O-N 2.89Å; V453-N459 PolarHBondContact O-ND2 3.11Å; V453-N459 VanDerWaalsContact O-ND2 3.1Å; V453-F472 VanDerWaalsContact O-CD1 3.28Å; V453-F472 WeakPolarHBondContact O-CD1 3.32Å
454C97.4Very high92.2Very high0 Ų047.7 Ų47.70%028%0.277CS..THydrogen-bonded Turntrans-63.9-26.2-172.3-60.70000113.3K396 S452 F472 G473 S476 M477 C478 C505K396-C454 VanDerWaalsContact O-CB 3.29Å; K396-C454 WeakPolarHBondContact O-CB 3.31Å; K396-C454 PolarHBondContact O-N 2.85Å; S452-C454 PolarHBondContact O-N 3.22Å; C454-F472 CarbonylContact O-C 3.34Å; C454-F472 VanDerWaalsContact O-CA 3.25Å; C454-F472 WeakPolarHBondContact O-CA 3.14Å; C454-G473 PolarHBondContact O-N 2.73Å; C454-S476 WeakPolarHBondContact O-CB 3Å; C454-M477 VanDerWaalsContact SG-C 3.55Å; C454-C478 PolarHBondContact SG-N 3.47Å; C454-C478 VanDerWaalsContact SG-N 3.45Å; C454-C505 WeakPolarHBondContact CA-SG 3.44Å; C454-C505 HydrophobicContact CB-CB 3.59Å; C454-C505 WeakPolarHBondContact CB-SG 3.37Å; C454-C505 VanDerWaalsContact SG-CA 3.59Å; C454-C505 WeakPolarHBondContact SG-CB 3.5Å; C454-C505 CovalentContact SG-SG 2.04Å; C454-C505 PolarHBondContact SG-SG 2.98Å
455T96.1Very high91.9Very high41 Ų4152.3 Ų52.325%0.25230%0.299SS..THydrogen-bonded Turntrans-81.7-14-177.851.50000115.1K396 V453 T457 G473K396-T455 HydrophobicContact CB-CG2 3.94Å; K396-T455 HydrophobicContact CD-CG2 3.51Å; K396-T455 HydrophobicContact CG-CG2 4.39Å; V453-T455 PolarHBondContact O-N 3.25Å; T455-T457 PolarHBondContact O-N 3.18Å; T455-G473 VanDerWaalsContact CA-O 3.3Å; T455-G473 WeakPolarHBondContact CA-O 3.31Å; T455-G473 CarbonylContact O-C 3.45Å; T455-G473 WeakPolarHBondContact O-CA 3.03Å
456D95.8Very high91.9Very high13 Ų1354.2 Ų54.27%0.0731%0.309CS..  trans-85.4103.7-172.9-72.51000110.4Y184 K188 V453 E458 N459 F472Y184-D456 HydrophobicContact CE2-CB 3.9Å; Y184-D456 VanDerWaalsContact CE2-OD2 3.27Å; Y184-D456 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D456 VanDerWaalsContact OH-CB 3.3Å; Y184-D456 WeakPolarHBondContact OH-CB 3.31Å; Y184-D456 PolarHBondContact OH-OD2 2.04Å; K188-D456 IonicContact NZ-OD1 2.75Å; K188-D456 PolarHBondContact NZ-OD1 2.81Å; K188-D456 IonicContact NZ-OD2 3.64Å; K188-D456 PolarHBondContact NZ-OD2 3.41Å; V453-D456 HydrophobicContact CB-CB 4.39Å; V453-D456 HydrophobicContact CG1-CB 4.32Å; V453-D456 PolarHBondContact O-N 2.89Å; D456-E458 PolarHBondContact O-N 2.81Å; D456-E458 VanDerWaalsContact O-N 3.16Å; D456-N459 WeakPolarHBondContact O-CB 3.04Å; D456-N459 PolarHBondContact O-N 3.25Å; D456-N459 VanDerWaalsContact O-N 3.11Å; D456-F472 VanDerWaalsContact O-CB 3.24Å; D456-F472 WeakPolarHBondContact O-CB 3.35Å
457T96.4Very high92.1Very high76 Ų7648.5 Ų48.547%0.46629%0.285SS..G310 helixtrans-59.9-28.1-174.6-54.80000112.5T455 N459 N460T455-T457 PolarHBondContact O-N 3.18Å; T457-N459 PolarHBondContact O-N 3.18Å; T457-N460 WeakPolarHBondContact O-CB 3.28Å; T457-N460 PolarHBondContact O-N 3.16Å; T457-N460 VanDerWaalsContact O-N 3.07Å; T457-N460 PolarHBondContact O-ND2 3.1Å
458E95.5Very high92.3Very high85 Ų8546.4 Ų46.440%0.39726%0.26SS..G310 helixtrans-57-29.9177.4-6389.9154.500112.5Y184 D456 N460 Q461Y184-E458 HydrophobicContact CD1-CB 3.94Å; Y184-E458 HydrophobicContact CD2-CB 3.77Å; Y184-E458 HydrophobicContact CD2-CG 3.89Å; Y184-E458 HydrophobicContact CE1-CB 4.41Å; Y184-E458 HydrophobicContact CE2-CB 4.28Å; Y184-E458 HydrophobicContact CG-CB 3.58Å; Y184-E458 HydrophobicContact CG-CG 4.01Å; D456-E458 PolarHBondContact O-N 2.81Å; D456-E458 VanDerWaalsContact O-N 3.16Å; E458-N460 PolarHBondContact O-N 3.46Å; E458-Q461 PolarHBondContact O-N 2.03Å
459N95.9Very high92.6Very high0 Ų044.4 Ų44.40%025%0.246CC..G310 helixtrans-61.8-26.4177.2-78.3-36.9000113Y184 Q450 T451 V453 D456 T457 Q461 R462 F472Y184-N459 VanDerWaalsContact CE1-OD1 3.31Å; Y184-N459 WeakPolarHBondContact CE1-OD1 3.4Å; Y184-N459 PolarHBondContact OH-ND2 2.81Å; Q450-N459 WeakPolarHBondContact CA-OD1 3.24Å; Q450-N459 HydrophobicContact CG-CB 4.25Å; T451-N459 PolarHBondContact N-OD1 3.21Å; T451-N459 PolarHBondContact O-ND2 2.72Å; T451-N459 PolarHBondContact OG1-ND2 2.82Å; V453-N459 PolarHBondContact O-ND2 3.11Å; V453-N459 VanDerWaalsContact O-ND2 3.1Å; D456-N459 WeakPolarHBondContact O-CB 3.04Å; D456-N459 PolarHBondContact O-N 3.25Å; D456-N459 VanDerWaalsContact O-N 3.11Å; T457-N459 PolarHBondContact O-N 3.18Å; N459-Q461 PolarHBondContact O-N 3.4Å; N459-R462 PolarHBondContact O-N 3.44Å; N459-F472 HydrophobicContact CB-CB 3.96Å; N459-F472 HydrophobicContact CB-CD1 3.51Å; N459-F472 HydrophobicContact CB-CD2 3.72Å; N459-F472 HydrophobicContact CB-CE1 3.89Å; N459-F472 HydrophobicContact CB-CE2 4.1Å; N459-F472 HydrophobicContact CB-CG 3.44Å; N459-F472 VanDerWaalsContact CB-CG 3.44Å; N459-F472 HydrophobicContact CB-CZ 4.19Å
460N94.9Very high92.9Very high45 Ų4544.6 Ų44.624%0.24124%0.243CC..G310 helixtrans-61.3-31.2178.8-67.9-62.6000112.6T457 E458 R462 F472T457-N460 WeakPolarHBondContact O-CB 3.28Å; T457-N460 PolarHBondContact O-N 3.16Å; T457-N460 VanDerWaalsContact O-N 3.07Å; T457-N460 PolarHBondContact O-ND2 3.1Å; E458-N460 PolarHBondContact O-N 3.46Å; N460-R462 PolarHBondContact O-N 3.33Å; N460-F472 PolarHBondContact ND2-O 2.03Å; N460-F472 PolarHBondContact OD1-N 3.3Å
461Q92.7Very high93.1Very high179 Ų17951 Ų5184%0.83627%0.267SS*.G310 helixtrans-77.6-8.7-179.7-62.2176.1300112.7E458 N459E458-Q461 PolarHBondContact O-N 2.03Å; N459-Q461 PolarHBondContact O-N 3.4Å
462R91.9Very high93.2Very high70 Ų7051.4 Ų51.426%0.26427%0.269SS..G310 helixtrans-113.6-0.3-170.7-57.3179.4177.3-84-1.7113.9Y184 T448 G449 Q450 N459 N460 G464Y184-R462 PolarHBondContact O-NH2 3.39Å; T448-R462 PolarHBondContact O-NH1 2.92Å; T448-R462 VanDerWaalsContact O-NH1 3.09Å; G449-R462 WeakPolarHBondContact O-CD 3.37Å; Q450-R462 HydrophobicContact CB-CB 3.81Å; Q450-R462 HydrophobicContact CG-CB 4.32Å; N459-R462 PolarHBondContact O-N 3.44Å; N460-R462 PolarHBondContact O-N 3.33Å; R462-G464 VanDerWaalsContact C-N 3.31Å; R462-G464 PolarHBondContact O-N 3.45Å
463L87.8Confident93.3Very high22 Ų2251.6 Ų51.612%0.11527%0.271CS..  trans-68.2-25.8-175.4-86164.7000114.3Q450 M465 N466 Q470 F472Q450-L463 VanDerWaalsContact NE2-CD2 3.29Å; L463-M465 CarbonylContact O-C 3.56Å; L463-M465 PolarHBondContact O-N 3.48Å; L463-M465 VanDerWaalsContact O-O 3.11Å; L463-N466 HydrophobicContact CB-CB 4.25Å; L463-Q470 HydrophobicContact CD1-CB 4.45Å; L463-Q470 HydrophobicContact CD2-CB 4.04Å; L463-F472 HydrophobicContact CD1-CD2 4.11Å; L463-F472 HydrophobicContact CD1-CE2 3.98Å; L463-F472 HydrophobicContact CD2-CE2 3.96Å; L463-F472 HydrophobicContact CG-CE2 4.12Å
464G86Confident93.2Very high75 Ų7555.8 Ų55.877%0.77330%0.298SS*.SBendtrans54.5-122.5-173.500000111.6R462 N466R462-G464 VanDerWaalsContact C-N 3.31Å; R462-G464 PolarHBondContact O-N 3.45Å; G464-N466 PolarHBondContact O-N 3.3Å
465M83.5Confident93.1Very high181 Ų18160.8 Ų60.889%0.89233%0.325SS*.SBendtrans-69.7117167.8-66.3-173.3179.600109.2L463 P467L463-M465 CarbonylContact O-C 3.56Å; L463-M465 PolarHBondContact O-N 3.48Å; L463-M465 VanDerWaalsContact O-O 3.11Å; M465-P467 WeakPolarHBondContact O-CD 3.24Å
466N90.1Very high93.2Very high47 Ų4758.8 Ų58.825%0.25131%0.313SS..  trans-109.362.7-177.3-172.819000112.3L463 G464 L468 M469 Q470L463-N466 HydrophobicContact CB-CB 4.25Å; G464-N466 PolarHBondContact O-N 3.3Å; N466-L468 PolarHBondContact O-N 2.76Å; N466-M469 PolarHBondContact O-N 2.83Å; N466-M469 VanDerWaalsContact O-N 3.09Å; N466-M469 PolarHBondContact OD1-N 3.41Å; N466-Q470 PolarHBondContact ND2-N 2.9Å; N466-Q470 PolarHBondContact ND2-O 2.01Å; N466-Q470 PolarHBondContact OD1-N 3.39Å
467P88Confident93.2Very high33 Ų3359.1 Ų59.121%0.21431%0.314CS..THydrogen-bonded Turntrans-65.8-28.6-175.928.4-35.2000112.4M465 M469M465-P467 WeakPolarHBondContact O-CD 3.24Å; P467-M469 PolarHBondContact O-N 3.01Å
468L91.1Very high93.2Very high16 Ų1656.1 Ų56.18%0.08430%0.296CS..THydrogen-bonded Turntrans-811.3177.6-62.5175.7000113N466 Q470 W487 T498 T504 H506N466-L468 PolarHBondContact O-N 2.76Å; L468-Q470 HydrophobicContact CB-CG 4.05Å; L468-Q470 PolarHBondContact O-N 2.82Å; L468-W487 HydrophobicContact CD2-CB 4.33Å; L468-W487 HydrophobicContact CD2-CE3 3.75Å; L468-W487 HydrophobicContact CD2-CZ3 4.43Å; L468-T498 HydrophobicContact CD2-CG2 3.95Å; L468-T504 HydrophobicContact CB-CG2 4.09Å; L468-T504 HydrophobicContact CD1-CG2 3.72Å; L468-T504 HydrophobicContact CG-CG2 4.42Å; L468-H506 PolarHBondContact O-CE1 2.86Å; L468-H506 VanDerWaalsContact O-CE1 3.23Å
469M93.3Very high93.2Very high22 Ų2252.1 Ų52.111%0.10828%0.277CS..  trans5436177-49.6-177.1-144.100113.5N466 P467 H506 I518 G519 V536 I543N466-M469 PolarHBondContact O-N 2.83Å; N466-M469 VanDerWaalsContact O-N 3.09Å; N466-M469 PolarHBondContact OD1-N 3.41Å; P467-M469 PolarHBondContact O-N 3.01Å; M469-H506 PolarHBondContact O-CE1 3.03Å; M469-H506 PolarHBondContact O-ND1 3.08Å; M469-I518 HydrophobicContact CB-CG2 4.49Å; M469-G519 VanDerWaalsContact SD-CA 3.59Å; M469-V536 HydrophobicContact CE-CG1 3.9Å; M469-V536 HydrophobicContact CE-CG2 4.28Å; M469-V536 HydrophobicContact SD-CG1 4.49Å; M469-V536 HydrophobicContact SD-CG2 4.32Å; M469-I543 HydrophobicContact CE-CB 4.5Å; M469-I543 HydrophobicContact CE-CG1 3.91Å
470Q94.5Very high93.2Very high17 Ų1754.1 Ų54.18%0.07929%0.288CS..  trans-64.2146.2179-59.6-164.783.300110.6L463 N466 L468 F472 T504 C505L463-Q470 HydrophobicContact CD1-CB 4.45Å; L463-Q470 HydrophobicContact CD2-CB 4.04Å; N466-Q470 PolarHBondContact ND2-N 2.9Å; N466-Q470 PolarHBondContact ND2-O 2.01Å; N466-Q470 PolarHBondContact OD1-N 3.39Å; L468-Q470 HydrophobicContact CB-CG 4.05Å; L468-Q470 PolarHBondContact O-N 2.82Å; Q470-F472 HydrophobicContact CB-CE2 3.84Å; Q470-F472 HydrophobicContact CB-CZ 4.41Å; Q470-T504 HydrophobicContact CG-CG2 4.04Å; Q470-C505 CarbonylContact C-O 3.57Å; Q470-C505 VanDerWaalsContact CA-O 3.23Å; Q470-C505 WeakPolarHBondContact CA-O 3.02Å; Q470-C505 VanDerWaalsContact OE1-N 3.15Å
471R97Very high93Very high146 Ų14652 Ų5255%0.55128%0.277SS*.  trans-138.6133.2174.7-73.2-66.5-169.81770.6109.5S476 C505 L507R471-S476 VanDerWaalsContact O-CB 3.3Å; R471-S476 WeakPolarHBondContact O-CB 3.07Å; R471-S476 PolarHBondContact O-OG 2.99Å; R471-C505 PolarHBondContact N-O 2.94Å; R471-C505 CarbonylContact O-C 3.58Å; R471-L507 HydrophobicContact CB-CD1 4.34Å; R471-L507 HydrophobicContact CB-CG 3.94Å; R471-L507 HydrophobicContact CG-CD1 4.43Å
472F97.3Very high92.2Very high9 Ų944.4 Ų44.44%0.03925%0.247CC..  trans-113.9148.5-179.8-60.8-100.2000110.9V453 C454 D456 N459 N460 L463 Q470 C505V453-F472 VanDerWaalsContact O-CD1 3.28Å; V453-F472 WeakPolarHBondContact O-CD1 3.32Å; C454-F472 CarbonylContact O-C 3.34Å; C454-F472 VanDerWaalsContact O-CA 3.25Å; C454-F472 WeakPolarHBondContact O-CA 3.14Å; D456-F472 VanDerWaalsContact O-CB 3.24Å; D456-F472 WeakPolarHBondContact O-CB 3.35Å; N459-F472 HydrophobicContact CB-CB 3.96Å; N459-F472 HydrophobicContact CB-CD1 3.51Å; N459-F472 HydrophobicContact CB-CD2 3.72Å; N459-F472 HydrophobicContact CB-CE1 3.89Å; N459-F472 HydrophobicContact CB-CE2 4.1Å; N459-F472 HydrophobicContact CB-CG 3.44Å; N459-F472 VanDerWaalsContact CB-CG 3.44Å; N459-F472 HydrophobicContact CB-CZ 4.19Å; N460-F472 PolarHBondContact ND2-O 2.03Å; N460-F472 PolarHBondContact OD1-N 3.3Å; L463-F472 HydrophobicContact CD1-CD2 4.11Å; L463-F472 HydrophobicContact CD1-CE2 3.98Å; L463-F472 HydrophobicContact CD2-CE2 3.96Å; L463-F472 HydrophobicContact CG-CE2 4.12Å; Q470-F472 HydrophobicContact CB-CE2 3.84Å; Q470-F472 HydrophobicContact CB-CZ 4.41Å; F472-C505 HydrophobicContact CD1-CB 4.01Å; F472-C505 HydrophobicContact CE1-CB 3.69Å; F472-C505 WeakPolarHBondContact CE1-SG 3.46Å; F472-C505 HydrophobicContact CE2-CB 4.42Å; F472-C505 HydrophobicContact CZ-CB 3.89Å
473G97Very high90.9Very high4 Ų448 Ų484%0.04127%0.271CS..SBendtrans150.7177.4177.900000112.8C454 T455 N475 S476C454-G473 PolarHBondContact O-N 2.73Å; T455-G473 VanDerWaalsContact CA-O 3.3Å; T455-G473 WeakPolarHBondContact CA-O 3.31Å; T455-G473 CarbonylContact O-C 3.45Å; T455-G473 WeakPolarHBondContact O-CA 3.03Å; G473-N475 PolarHBondContact O-N 3.46Å; G473-S476 PolarHBondContact N-OG 2.98Å; G473-S476 VanDerWaalsContact O-CB 3.31Å; G473-S476 WeakPolarHBondContact O-CB 3.3Å; G473-S476 PolarHBondContact O-N 3.39Å
474P95Very high89.9Confident91 Ų9156.6 Ų56.659%0.59131%0.308SS*.THydrogen-bonded Turntrans-57.3-29.2-170.921.4-33.6000114
475N95.8Very high89.3Confident104 Ų10458.5 Ų58.556%0.55630%0.296SS*.THydrogen-bonded Turntrans-100.118.1178.6-58.5-27.6000112.9G473 L507 H508G473-N475 PolarHBondContact O-N 3.46Å; N475-L507 HydrophobicContact CB-CD2 4.35Å; N475-L507 WeakPolarHBondContact O-CA 3.3Å; N475-H508 PolarHBondContact O-CE1 3.2Å; N475-H508 PolarHBondContact O-N 3.25Å; N475-H508 PolarHBondContact O-ND1 3.39Å
476S97.8Very high89.4Confident0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-97.3147.3173.6-72.30000111.6C454 R471 G473 H506 L507C454-S476 WeakPolarHBondContact O-CB 3Å; R471-S476 VanDerWaalsContact O-CB 3.3Å; R471-S476 WeakPolarHBondContact O-CB 3.07Å; R471-S476 PolarHBondContact O-OG 2.99Å; G473-S476 PolarHBondContact N-OG 2.98Å; G473-S476 VanDerWaalsContact O-CB 3.31Å; G473-S476 WeakPolarHBondContact O-CB 3.3Å; G473-S476 PolarHBondContact O-N 3.39Å; S476-H506 CarbonylContact C-O 3.49Å; S476-H506 VanDerWaalsContact CA-O 3.23Å; S476-H506 WeakPolarHBondContact CA-O 3.42Å; S476-L507 WeakPolarHBondContact OG-CD2 3.18Å
477M96.1Very high89.4Confident19 Ų1952.2 Ų52.29%0.09426%0.259CS..EExtended strand (participates in β ladder)trans-133.7161.9178.364.3178.4-72.300110.7C454 V479 C505 H506 H508 L514 I516 P550 V555C454-M477 VanDerWaalsContact SG-C 3.55Å; M477-V479 HydrophobicContact CG-CG2 4.37Å; M477-C505 WeakPolarHBondContact O-CA 3.39Å; M477-H506 PolarHBondContact N-O 3.1Å; M477-H506 PolarHBondContact O-N 3.4Å; M477-H508 HydrophobicContact CG-CB 3.95Å; M477-H508 HydrophobicContact SD-CB 3.51Å; M477-H508 VanDerWaalsContact SD-CB 3.51Å; M477-L514 HydrophobicContact SD-CD1 4.31Å; M477-I516 HydrophobicContact SD-CD1 4.48Å; M477-I516 HydrophobicContact SD-CG1 4.4Å; M477-P550 HydrophobicContact CE-CG 3.65Å; M477-V555 HydrophobicContact CE-CG2 3.87Å; M477-V555 HydrophobicContact SD-CG1 4.11Å; M477-V555 HydrophobicContact SD-CG2 4.48Å
478C96.7Very high89.5Confident13 Ų1353 Ų539%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-75.8138.1170.2178.40000110.1C391 A397 Y398 C454 T504C391-C478 WeakPolarHBondContact CA-SG 3.23Å; C391-C478 HydrophobicContact CB-CB 3.71Å; C391-C478 WeakPolarHBondContact CB-SG 3.3Å; C391-C478 WeakPolarHBondContact SG-CB 3.44Å; C391-C478 PolarHBondContact SG-O 2.73Å; C391-C478 VanDerWaalsContact SG-O 3.4Å; C391-C478 CovalentContact SG-SG 2.03Å; C391-C478 PolarHBondContact SG-SG 3.02Å; A397-C478 WeakPolarHBondContact O-CB 3.5Å; A397-C478 PolarHBondContact O-SG 3.39Å; Y398-C478 VanDerWaalsContact CA-SG 3.57Å; Y398-C478 VanDerWaalsContact CB-SG 3.59Å; C454-C478 PolarHBondContact SG-N 3.47Å; C454-C478 VanDerWaalsContact SG-N 3.45Å; C478-T504 CarbonylContact C-O 3.54Å; C478-T504 WeakPolarHBondContact CA-O 3.25Å
479V95.5Very high89.6Confident1 Ų153 Ų531%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-124.4119.9177.6-177.80000109.1C391 M477 H481 A503 T504 H506 I516 V547C391-V479 VanDerWaalsContact SG-C 3.52Å; C391-V479 PolarHBondContact SG-N 2.88Å; M477-V479 HydrophobicContact CG-CG2 4.37Å; V479-H481 PolarHBondContact O-CD2 3.28Å; V479-A503 CarbonylContact O-C 3.58Å; V479-A503 WeakPolarHBondContact O-CA 3.47Å; V479-A503 WeakPolarHBondContact O-CB 3.42Å; V479-T504 PolarHBondContact N-O 2.72Å; V479-T504 PolarHBondContact O-N 2.92Å; V479-H506 HydrophobicContact CG2-CB 3.96Å; V479-I516 HydrophobicContact CG1-CD1 4.46Å; V479-I516 HydrophobicContact CG2-CD1 4.09Å; V479-I516 HydrophobicContact CG2-CG2 3.94Å; V479-V547 HydrophobicContact CG1-CB 4.34Å; V479-V547 HydrophobicContact CG1-CG1 3.58Å; V479-V547 HydrophobicContact CG1-CG2 4.16Å
480N94.4Very high89.6Confident43 Ų4355.2 Ų55.223%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-77.5141.1174.5-81.5-41.5000110.1Q390 C391 Q548Q390-N480 VanDerWaalsContact CA-OD1 3.24Å; Q390-N480 WeakPolarHBondContact CA-OD1 3.07Å; C391-N480 PolarHBondContact N-OD1 2.68Å; C391-N480 VanDerWaalsContact SG-CG 3.55Å; C391-N480 PolarHBondContact SG-N 3.04Å; C391-N480 VanDerWaalsContact SG-N 3.44Å; C391-N480 PolarHBondContact SG-OD1 3.33Å; N480-Q548 HydrophobicContact CB-CB 3.82Å; N480-Q548 HydrophobicContact CB-CG 4.46Å; N480-Q548 WeakPolarHBondContact O-CB 3.18Å; N480-Q548 PolarHBondContact O-N 2.77Å
481H91.3Very high89.4Confident0 Ų055.9 Ų55.90%028%0.279CS..  trans-91.1-6.7179.5-60.5178.8000113.6V479 W487 D500 G502 T504 F546V479-H481 PolarHBondContact O-CD2 3.28Å; H481-W487 AromaticContact CD2-CE2 3.48Å; H481-W487 VanDerWaalsContact CD2-CE2 3.48Å; H481-W487 AromaticContact CD2-CH2 3.97Å; H481-W487 AromaticContact CD2-CZ2 3.33Å; H481-W487 WeakPolarHBondContact CD2-CZ2 3.46Å; H481-W487 AromaticContact CD2-NE1 3.73Å; H481-W487 AromaticContact CE1-CD2 3.65Å; H481-W487 AromaticContact CE1-CE2 3.71Å; H481-W487 AromaticContact CE1-CE3 3.87Å; H481-W487 AromaticContact CE1-CZ2 3.93Å; H481-W487 AromaticContact CG-CD1 3.78Å; H481-W487 AromaticContact CG-CE2 3.55Å; H481-W487 AromaticContact CG-CZ2 3.92Å; H481-W487 AromaticContact CG-NE1 3.38Å; H481-W487 AromaticContact ND1-CD1 3.71Å; H481-W487 AromaticContact ND1-CD2 3.72Å; H481-W487 AromaticContact ND1-CE2 3.67Å; H481-W487 AromaticContact ND1-CG 3.73Å; H481-W487 AromaticContact ND1-NE1 3.7Å; H481-W487 AromaticContact NE2-CD2 3.98Å; H481-W487 AromaticContact NE2-CE2 3.62Å; H481-W487 AromaticContact NE2-CH2 3.52Å; H481-W487 AromaticContact NE2-CZ2 3.38Å; H481-W487 WeakPolarHBondContact NE2-CZ2 3.5Å; H481-W487 AromaticContact NE2-CZ3 3.93Å; H481-D500 VanDerWaalsContact CE1-CG 3.49Å; H481-D500 IonicContact CE1-OD1 2.62Å; H481-D500 PolarHBondContact CE1-OD1 2.76Å; H481-D500 IonicContact CE1-OD2 3Å; H481-D500 IonicContact CG-OD1 2.76Å; H481-D500 IonicContact CG-OD2 3.96Å; H481-D500 IonicContact ND1-OD1 3.95Å; H481-D500 PolarHBondContact ND1-OD1 2.99Å; H481-D500 IonicContact ND1-OD2 2.8Å; H481-D500 PolarHBondContact ND1-OD2 2.71Å; H481-G502 WeakPolarHBondContact CB-O 3.2Å; H481-G502 PolarHBondContact N-O 2.04Å; H481-T504 WeakPolarHBondContact CE1-CG2 3.36Å; H481-T504 WeakPolarHBondContact NE2-CG2 3.13Å; H481-T504 PolarHBondContact NE2-OG1 3.49Å; H481-F546 CarbonylContact C-O 3.49Å; H481-F546 VanDerWaalsContact CA-O 3.3Å; H481-F546 WeakPolarHBondContact CA-O 3.47Å; H481-F546 VanDerWaalsContact O-O 3.11Å
482G75.7Confident88.9Confident20 Ų2061.6 Ų61.621%0.20630%0.3CS..  trans96155.9-175.400000112.6K484G482-K484 PolarHBondContact O-N 3.39Å
483N65.8Low88.6Confident146 Ų14666 Ų6678%0.78133%0.332SS*.SBendtrans-81.5-8.2-167.4-71.9-23.2000115
484K65.8Low88.3Confident201 Ų20167.3 Ų67.387%0.87435%0.346SS*.SBendtrans-124.9-15.3-168.4-66.7-172178.1-1780115.3G482G482-K484 PolarHBondContact O-N 3.39Å
485E74.7Confident88Confident115 Ų11568.7 Ų68.754%0.53735%0.347SS..  trans-139.3125.9-176.7-64.5-172.4-145.600110.1F546E485-F546 HydrophobicContact CB-CD2 4.23Å; E485-F546 VanDerWaalsContact OE2-CE2 3.25Å; E485-F546 WeakPolarHBondContact OE2-CE2 3.04Å
486R84.1Confident87.6Confident96 Ų9667.9 Ų67.936%0.36234%0.34SS..  trans-87.9154.3177.1-58.5-58.6178.61441.4110.2T387 V488 D500 M501T387-R486 PolarHBondContact O-NH1 3.39Å; T387-R486 PolarHBondContact O-NH2 3.41Å; R486-V488 PolarHBondContact O-N 2.71Å; R486-D500 PolarHBondContact NH1-O 3.05Å; R486-M501 PolarHBondContact NH1-O 3.35Å
487W90.7Very high87Confident1 Ų172.1 Ų72.10%0.00437%0.37CS..  trans-67.7129.5172.6-71.313000110.2L468 H481 T498 D500 H506 I518 L534 I543 K544 F546 V547L468-W487 HydrophobicContact CD2-CB 4.33Å; L468-W487 HydrophobicContact CD2-CE3 3.75Å; L468-W487 HydrophobicContact CD2-CZ3 4.43Å; H481-W487 AromaticContact CD2-CE2 3.48Å; H481-W487 VanDerWaalsContact CD2-CE2 3.48Å; H481-W487 AromaticContact CD2-CH2 3.97Å; H481-W487 AromaticContact CD2-CZ2 3.33Å; H481-W487 WeakPolarHBondContact CD2-CZ2 3.46Å; H481-W487 AromaticContact CD2-NE1 3.73Å; H481-W487 AromaticContact CE1-CD2 3.65Å; H481-W487 AromaticContact CE1-CE2 3.71Å; H481-W487 AromaticContact CE1-CE3 3.87Å; H481-W487 AromaticContact CE1-CZ2 3.93Å; H481-W487 AromaticContact CG-CD1 3.78Å; H481-W487 AromaticContact CG-CE2 3.55Å; H481-W487 AromaticContact CG-CZ2 3.92Å; H481-W487 AromaticContact CG-NE1 3.38Å; H481-W487 AromaticContact ND1-CD1 3.71Å; H481-W487 AromaticContact ND1-CD2 3.72Å; H481-W487 AromaticContact ND1-CE2 3.67Å; H481-W487 AromaticContact ND1-CG 3.73Å; H481-W487 AromaticContact ND1-NE1 3.7Å; H481-W487 AromaticContact NE2-CD2 3.98Å; H481-W487 AromaticContact NE2-CE2 3.62Å; H481-W487 AromaticContact NE2-CH2 3.52Å; H481-W487 AromaticContact NE2-CZ2 3.38Å; H481-W487 WeakPolarHBondContact NE2-CZ2 3.5Å; H481-W487 AromaticContact NE2-CZ3 3.93Å; W487-T498 WeakPolarHBondContact O-CG2 3.03Å; W487-T498 PolarHBondContact O-OG1 2.86Å; W487-D500 PolarHBondContact N-OD2 2.99Å; W487-D500 VanDerWaalsContact N-OD2 3.11Å; W487-H506 AromaticContact CH2-NE2 3.52Å; W487-H506 AromaticContact CZ3-NE2 3.83Å; W487-I518 HydrophobicContact CH2-CD1 3.69Å; W487-I518 HydrophobicContact CH2-CG2 4.3Å; W487-I518 HydrophobicContact CZ2-CD1 4.12Å; W487-I518 HydrophobicContact CZ3-CG2 4.27Å; W487-L534 HydrophobicContact CD2-CD2 3.6Å; W487-L534 HydrophobicContact CE3-CD2 3.76Å; W487-L534 HydrophobicContact CG-CD2 4.41Å; W487-L534 HydrophobicContact CH2-CD2 3.59Å; W487-L534 HydrophobicContact CZ2-CD2 3.36Å; W487-L534 HydrophobicContact CZ3-CD2 3.76Å; W487-I543 HydrophobicContact CB-CG2 4.22Å; W487-I543 HydrophobicContact CD2-CG2 4.02Å; W487-I543 HydrophobicContact CE3-CG2 3.69Å; W487-I543 HydrophobicContact CG-CG2 4.25Å; W487-I543 HydrophobicContact CZ3-CG2 4.49Å; W487-K544 WeakPolarHBondContact CA-O 3.3Å; W487-F546 PolarHBondContact NE1-O 3.03Å; W487-V547 HydrophobicContact CZ2-CG2 3.81Å
488V90.6Very high86.2Confident50 Ų5072 Ų7230%0.30337%0.37SS..EExtended strand (participates in β ladder)trans-109.6146176.5-62.40000110.2R486 I495 I543 K544R486-V488 PolarHBondContact O-N 2.71Å; V488-I495 HydrophobicContact CB-CG2 3.75Å; V488-I495 HydrophobicContact CG1-CG2 4.2Å; V488-I495 HydrophobicContact CG2-CG2 4.06Å; V488-I543 WeakPolarHBondContact O-CA 3.33Å; V488-K544 HydrophobicContact CG2-CB 3.98Å; V488-K544 PolarHBondContact N-O 3.09Å; V488-K544 PolarHBondContact O-N 3.4Å
489L91.8Very high85.4Confident14 Ų1477.5 Ų77.57%0.07340%0.398CS..EExtended strand (participates in β ladder)trans-103.8109175.6179.168000109.1T491 Q496 T498 I543L489-T491 HydrophobicContact CD2-CG2 3.97Å; L489-T491 HydrophobicContact CG-CG2 3.78Å; L489-Q496 PolarHBondContact N-O 2.92Å; L489-Q496 PolarHBondContact O-N 3.07Å; L489-T498 HydrophobicContact CB-CG2 3.68Å; L489-I543 HydrophobicContact CB-CD1 4.01Å; L489-I543 HydrophobicContact CD1-CD1 3.63Å; L489-I543 HydrophobicContact CD1-CG1 4.22Å; L489-I543 HydrophobicContact CG-CD1 4.43Å
490E93.1Very high84.7Confident69 Ų6978 Ų7832%0.32240%0.401SS..EExtended strand (participates in β ladder)trans-89.9120.8174-176.9176-175.400110I495 G541 L542 K544E490-I495 HydrophobicContact CB-CG1 4.4Å; E490-I495 HydrophobicContact CG-CG1 4.26Å; E490-G541 WeakPolarHBondContact O-CA 3.35Å; E490-L542 HydrophobicContact CB-CB 4.21Å; E490-L542 PolarHBondContact N-O 3.33Å; E490-L542 PolarHBondContact O-N 2.69Å; E490-K544 IonicContact OE1-NZ 3.96Å; E490-K544 WeakPolarHBondContact OE2-CE 3Å; E490-K544 IonicContact OE2-NZ 2.73Å; E490-K544 PolarHBondContact OE2-NZ 3.31Å
491T90.9Very high84.4Confident32 Ų3277.8 Ų77.820%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-122.9174.5-178.768.40000109.8L489 S493 G494 Q496 S540L489-T491 HydrophobicContact CD2-CG2 3.97Å; L489-T491 HydrophobicContact CG-CG2 3.78Å; T491-S493 PolarHBondContact O-N 2.92Å; T491-S493 PolarHBondContact OG1-N 3.22Å; T491-S493 PolarHBondContact OG1-OG 3Å; T491-G494 PolarHBondContact N-O 3.22Å; T491-G494 PolarHBondContact O-N 3.23Å; T491-G494 PolarHBondContact OG1-O 3.22Å; T491-Q496 PolarHBondContact OG1-NE2 2.81Å; T491-Q496 VanDerWaalsContact OG1-NE2 3.16Å; T491-S540 WeakPolarHBondContact CG2-O 3.37Å
492R87.5Confident84.4Confident265 Ų26578 Ų78100%140%0.402SS*.THydrogen-bonded Turntrans-60.8-25.8173-66.5-175.6-177.8177.30.6113.2G494R492-G494 VanDerWaalsContact C-N 3.3Å
493S89.2Confident85.3Confident102 Ų10277.2 Ų77.271%0.71339%0.393SS*.THydrogen-bonded Turntrans-86.30.4176.356.10000113.6T491 Q496T491-S493 PolarHBondContact O-N 2.92Å; T491-S493 PolarHBondContact OG1-N 3.22Å; T491-S493 PolarHBondContact OG1-OG 3Å; S493-Q496 PolarHBondContact OG-NE2 2.78Å; S493-Q496 VanDerWaalsContact OG-NE2 3.11Å
494G91.5Very high86.6Confident32 Ų3270.3 Ų70.333%0.3336%0.356SS..EExtended strand (participates in β ladder)trans117-169.7-18000000113.5T491 R492T491-G494 PolarHBondContact N-O 3.22Å; T491-G494 PolarHBondContact O-N 3.23Å; T491-G494 PolarHBondContact OG1-O 3.22Å; R492-G494 VanDerWaalsContact C-N 3.3Å
495I89.2Confident88.2Confident119 Ų11960.8 Ų60.861%0.6132%0.315SS*.EExtended strand (participates in β ladder)trans-84.4126.1-179.1-58.3175.8000109.4V488 E490V488-I495 HydrophobicContact CB-CG2 3.75Å; V488-I495 HydrophobicContact CG1-CG2 4.2Å; V488-I495 HydrophobicContact CG2-CG2 4.06Å; E490-I495 HydrophobicContact CB-CG1 4.4Å; E490-I495 HydrophobicContact CG-CG1 4.26Å
496Q87.2Confident89.2Confident87 Ų8755.3 Ų55.341%0.40729%0.289SS..EExtended strand (participates in β ladder)trans-119.3149-179.1-56.9-17721.800110.7L489 T491 S493L489-Q496 PolarHBondContact N-O 2.92Å; L489-Q496 PolarHBondContact O-N 3.07Å; T491-Q496 PolarHBondContact OG1-NE2 2.81Å; T491-Q496 VanDerWaalsContact OG1-NE2 3.16Å; S493-Q496 PolarHBondContact OG-NE2 2.78Å; S493-Q496 VanDerWaalsContact OG-NE2 3.11Å
497S84.7Confident89.9Confident90 Ų9053.4 Ų53.463%0.62929%0.286SS*.EExtended strand (participates in β ladder)trans-68.6141.4166.6178.20000109.8N499S497-N499 VanDerWaalsContact C-N 3.35Å; S497-N499 PolarHBondContact OG-N 2.97Å
498T79.6Confident90.2Very high15 Ų1554.8 Ų54.89%0.09229%0.293CS..  trans-91.71.3175.853.50000113.1L468 W487 L489 D500 I543L468-T498 HydrophobicContact CD2-CG2 3.95Å; W487-T498 WeakPolarHBondContact O-CG2 3.03Å; W487-T498 PolarHBondContact O-OG1 2.86Å; L489-T498 HydrophobicContact CB-CG2 3.68Å; T498-D500 PolarHBondContact O-N 2.89Å; T498-D500 WeakPolarHBondContact OG1-CB 2.99Å; T498-D500 PolarHBondContact OG1-N 2.68Å; T498-I543 HydrophobicContact CG2-CD1 3.76Å
499N79.1Confident90.4Very high129 Ų12958.1 Ų58.169%0.6931%0.305SS*.  trans53.330.5-165.5-60.6-34.6000112.7S497 M501S497-N499 VanDerWaalsContact C-N 3.35Å; S497-N499 PolarHBondContact OG-N 2.97Å; N499-M501 PolarHBondContact O-N 2.79Å
500D81.2Confident90.6Very high12 Ų1260.3 Ų60.36%0.06432%0.321CS..  trans-58.9120176.8168.230.6000112H481 R486 W487 T498 G502H481-D500 VanDerWaalsContact CE1-CG 3.49Å; H481-D500 IonicContact CE1-OD1 2.62Å; H481-D500 PolarHBondContact CE1-OD1 2.76Å; H481-D500 IonicContact CE1-OD2 3Å; H481-D500 IonicContact CG-OD1 2.76Å; H481-D500 IonicContact CG-OD2 3.96Å; H481-D500 IonicContact ND1-OD1 3.95Å; H481-D500 PolarHBondContact ND1-OD1 2.99Å; H481-D500 IonicContact ND1-OD2 2.8Å; H481-D500 PolarHBondContact ND1-OD2 2.71Å; R486-D500 PolarHBondContact NH1-O 3.05Å; W487-D500 PolarHBondContact N-OD2 2.99Å; W487-D500 VanDerWaalsContact N-OD2 3.11Å; T498-D500 PolarHBondContact O-N 2.89Å; T498-D500 WeakPolarHBondContact OG1-CB 2.99Å; T498-D500 PolarHBondContact OG1-N 2.68Å; D500-G502 VanDerWaalsContact C-N 3.28Å; D500-G502 PolarHBondContact O-N 2.92Å; D500-G502 WeakPolarHBondContact OD1-CA 3.41Å; D500-G502 PolarHBondContact OD1-N 2.86Å
501M87.8Confident90.4Very high38 Ų3859.5 Ų59.519%0.18733%0.331CS..  trans-80.3-5.1176.9-64-177.9-77.800113.1T387 A389 Y398 I442 R486 N499T387-M501 CarbonylContact C-O 3.56Å; T387-M501 CarbonylContact O-C 3.52Å; A389-M501 WeakPolarHBondContact CA-O 3.35Å; A389-M501 HydrophobicContact CB-CB 3.62Å; A389-M501 VanDerWaalsContact CB-O 3.3Å; A389-M501 WeakPolarHBondContact CB-O 3.27Å; A389-M501 PolarHBondContact N-O 3.34Å; Y398-M501 HydrophobicContact CD2-CE 4.43Å; Y398-M501 HydrophobicContact CE2-CE 3.6Å; I442-M501 HydrophobicContact CD1-CE 3.98Å; I442-M501 HydrophobicContact CD1-SD 3.82Å; R486-M501 PolarHBondContact NH1-O 3.35Å; N499-M501 PolarHBondContact O-N 2.79Å
502G91.3Very high90.1Very high6 Ų665.8 Ų65.86%0.06236%0.363CS..SBendtrans109.4-7.4173.800000114.4A389 H481 D500A389-G502 CarbonylContact O-C 3.49Å; H481-G502 WeakPolarHBondContact CB-O 3.2Å; H481-G502 PolarHBondContact N-O 2.04Å; D500-G502 VanDerWaalsContact C-N 3.28Å; D500-G502 PolarHBondContact O-N 2.92Å; D500-G502 WeakPolarHBondContact OD1-CA 3.41Å; D500-G502 PolarHBondContact OD1-N 2.86Å
503A94.7Very high90.4Very high2 Ų254 Ų542%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-155.3153.2172.700000111.2Y398 V479Y398-A503 HydrophobicContact CG-CB 4.49Å; V479-A503 CarbonylContact O-C 3.58Å; V479-A503 WeakPolarHBondContact O-CA 3.47Å; V479-A503 WeakPolarHBondContact O-CB 3.42Å
504T94.9Very high90.7Very high2 Ų249.2 Ų49.21%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-143.9168-175.349.50000111.8L468 Q470 C478 V479 H481 H506L468-T504 HydrophobicContact CB-CG2 4.09Å; L468-T504 HydrophobicContact CD1-CG2 3.72Å; L468-T504 HydrophobicContact CG-CG2 4.42Å; Q470-T504 HydrophobicContact CG-CG2 4.04Å; C478-T504 CarbonylContact C-O 3.54Å; C478-T504 WeakPolarHBondContact CA-O 3.25Å; V479-T504 PolarHBondContact N-O 2.72Å; V479-T504 PolarHBondContact O-N 2.92Å; H481-T504 WeakPolarHBondContact CE1-CG2 3.36Å; H481-T504 WeakPolarHBondContact NE2-CG2 3.13Å; H481-T504 PolarHBondContact NE2-OG1 3.49Å; T504-H506 PolarHBondContact OG1-CD2 3.2Å; T504-H506 PolarHBondContact OG1-NE2 2.86Å
505C97.3Very high91Very high0 Ų049.1 Ų49.10%028%0.284CS..EExtended strand (participates in β ladder)trans-101.5127.2177.3-63.20000112.5Y398 C454 Q470 R471 F472 M477Y398-C505 VanDerWaalsContact CE1-SG 3.53Å; C454-C505 WeakPolarHBondContact CA-SG 3.44Å; C454-C505 HydrophobicContact CB-CB 3.59Å; C454-C505 WeakPolarHBondContact CB-SG 3.37Å; C454-C505 VanDerWaalsContact SG-CA 3.59Å; C454-C505 WeakPolarHBondContact SG-CB 3.5Å; C454-C505 CovalentContact SG-SG 2.04Å; C454-C505 PolarHBondContact SG-SG 2.98Å; Q470-C505 CarbonylContact C-O 3.57Å; Q470-C505 VanDerWaalsContact CA-O 3.23Å; Q470-C505 WeakPolarHBondContact CA-O 3.02Å; Q470-C505 VanDerWaalsContact OE1-N 3.15Å; R471-C505 PolarHBondContact N-O 2.94Å; R471-C505 CarbonylContact O-C 3.58Å; F472-C505 HydrophobicContact CD1-CB 4.01Å; F472-C505 HydrophobicContact CE1-CB 3.69Å; F472-C505 WeakPolarHBondContact CE1-SG 3.46Å; F472-C505 HydrophobicContact CE2-CB 4.42Å; F472-C505 HydrophobicContact CZ-CB 3.89Å; M477-C505 WeakPolarHBondContact O-CA 3.39Å
506H97.6Very high91.4Very high0 Ų043.5 Ų43.50%026%0.255CS..EExtended strand (participates in β ladder)trans-138.5152.5-179.4-68.8-70.6000112.5L468 M469 S476 M477 V479 W487 T504 I516 I518L468-H506 PolarHBondContact O-CE1 2.86Å; L468-H506 VanDerWaalsContact O-CE1 3.23Å; M469-H506 PolarHBondContact O-CE1 3.03Å; M469-H506 PolarHBondContact O-ND1 3.08Å; S476-H506 CarbonylContact C-O 3.49Å; S476-H506 VanDerWaalsContact CA-O 3.23Å; S476-H506 WeakPolarHBondContact CA-O 3.42Å; M477-H506 PolarHBondContact N-O 3.1Å; M477-H506 PolarHBondContact O-N 3.4Å; V479-H506 HydrophobicContact CG2-CB 3.96Å; W487-H506 AromaticContact CH2-NE2 3.52Å; W487-H506 AromaticContact CZ3-NE2 3.83Å; T504-H506 PolarHBondContact OG1-CD2 3.2Å; T504-H506 PolarHBondContact OG1-NE2 2.86Å; H506-I516 HydrophobicContact CB-CG2 3.86Å; H506-I518 HydrophobicContact CB-CG1 4.49Å
507L97.8Very high91.9Very high57 Ų5742 Ų4230%0.29825%0.248SC..EExtended strand (participates in β ladder)trans-66.5142.8173.4-70.2170.1000109.9R471 N475 S476 M517R471-L507 HydrophobicContact CB-CD1 4.34Å; R471-L507 HydrophobicContact CB-CG 3.94Å; R471-L507 HydrophobicContact CG-CD1 4.43Å; N475-L507 HydrophobicContact CB-CD2 4.35Å; N475-L507 WeakPolarHBondContact O-CA 3.3Å; S476-L507 WeakPolarHBondContact OG-CD2 3.18Å; L507-M517 HydrophobicContact CB-CB 4.24Å; L507-M517 HydrophobicContact CB-CE 3.71Å; L507-M517 PolarHBondContact O-N 3.22Å
508H96.6Very high92.4Very high30 Ų3037.7 Ų37.714%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-129.5158.7172.374.3-67.7000111.3N475 M477 L514 T515 V555N475-H508 PolarHBondContact O-CE1 3.2Å; N475-H508 PolarHBondContact O-N 3.25Å; N475-H508 PolarHBondContact O-ND1 3.39Å; M477-H508 HydrophobicContact CG-CB 3.95Å; M477-H508 HydrophobicContact SD-CB 3.51Å; M477-H508 VanDerWaalsContact SD-CB 3.51Å; H508-L514 HydrophobicContact CB-CD1 3.97Å; H508-T515 CarbonylContact C-O 3.54Å; H508-T515 WeakPolarHBondContact CA-O 3.31Å; H508-T515 WeakPolarHBondContact CB-O 3.28Å; H508-V555 VanDerWaalsContact CD2-CG1 3.46Å; H508-V555 WeakPolarHBondContact CD2-CG1 3.29Å
509Q96.2Very high93Very high119 Ų11939.1 Ų39.156%0.55624%0.236SC*.EExtended strand (participates in β ladder)trans-136.3140.6173.3-176178.24.600110.1T515 M517Q509-T515 PolarHBondContact N-O 3.17Å; Q509-T515 PolarHBondContact O-N 3.45Å; Q509-T515 PolarHBondContact O-OG1 3.11Å; Q509-M517 HydrophobicContact CB-CE 4.3Å
510C94.7Very high93.6Very high60 Ų6038 Ų3841%0.40524%0.236SC..EExtended strand (participates in β ladder)trans-104.3126.4174.3-64.40000109.4C556C510-C556 VanDerWaalsContact CA-SG 3.57Å; C510-C556 HydrophobicContact CB-CB 3.64Å; C510-C556 WeakPolarHBondContact CB-SG 3.47Å; C510-C556 WeakPolarHBondContact SG-CA 3.07Å; C510-C556 WeakPolarHBondContact SG-CB 3.5Å; C510-C556 CovalentContact SG-SG 2.03Å; C510-C556 PolarHBondContact SG-SG 2.9Å
511G88.7Confident94.3Very high52 Ų5240.7 Ų40.754%0.53625%0.247SC..SBendtrans-147.5-122.1174.600000109.6G513G511-G513 PolarHBondContact N-O 3Å; G511-G513 PolarHBondContact O-N 2.75Å; G511-G513 VanDerWaalsContact O-N 3.08Å
512N86.4Confident94.6Very high165 Ų16542.8 Ų42.888%0.88226%0.262SS*.SBendtrans-70.83.4169.9-68-19.6000113.7
513G92.4Very high94.8Very high17 Ų1742.8 Ų42.818%0.17526%0.26CS..SBendtrans-179.9-178.1-177.800000110G511 C552G511-G513 PolarHBondContact N-O 3Å; G511-G513 PolarHBondContact O-N 2.75Å; G511-G513 VanDerWaalsContact O-N 3.08Å; G513-C552 VanDerWaalsContact C-SG 3.54Å; G513-C552 VanDerWaalsContact CA-SG 3.58Å
514L96.3Very high94.8Very high1 Ų147.1 Ų47.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-91.7125.9173.8172.963.5000109.1M477 H508 C525 P550 C552 V555M477-L514 HydrophobicContact SD-CD1 4.31Å; H508-L514 HydrophobicContact CB-CD1 3.97Å; L514-C525 HydrophobicContact CB-CB 4.1Å; L514-C525 HydrophobicContact CD2-CB 4.16Å; L514-C525 HydrophobicContact CG-CB 4.14Å; L514-C525 WeakPolarHBondContact O-CB 3.02Å; L514-C525 PolarHBondContact O-N 2.8Å; L514-P550 HydrophobicContact CD2-CG 3.89Å; L514-C552 HydrophobicContact CB-CB 4.41Å; L514-C552 PolarHBondContact N-SG 3.38Å; L514-V555 HydrophobicContact CD1-CB 4.27Å; L514-V555 HydrophobicContact CD1-CG1 3.9Å; L514-V555 HydrophobicContact CD2-CB 4.19Å; L514-V555 HydrophobicContact CD2-CG2 3.96Å
515T97.1Very high94.9Very high31 Ų3147.6 Ų47.619%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-116.3140.9169.158.60000111.2H508 Q509 T522 I523H508-T515 CarbonylContact C-O 3.54Å; H508-T515 WeakPolarHBondContact CA-O 3.31Å; H508-T515 WeakPolarHBondContact CB-O 3.28Å; Q509-T515 PolarHBondContact N-O 3.17Å; Q509-T515 PolarHBondContact O-N 3.45Å; Q509-T515 PolarHBondContact O-OG1 3.11Å; T515-T522 HydrophobicContact CG2-CG2 4.2Å; T515-I523 CarbonylContact C-O 3.37Å; T515-I523 WeakPolarHBondContact CA-O 3.45Å
516I97.6Very high94.8Very high0 Ų050.4 Ų50.40%031%0.312CS..EExtended strand (participates in β ladder)trans-117.2130.7177.7-60176.5000108.4M477 V479 H506 I518 I523 C525 V547M477-I516 HydrophobicContact SD-CD1 4.48Å; M477-I516 HydrophobicContact SD-CG1 4.4Å; V479-I516 HydrophobicContact CG1-CD1 4.46Å; V479-I516 HydrophobicContact CG2-CD1 4.09Å; V479-I516 HydrophobicContact CG2-CG2 3.94Å; H506-I516 HydrophobicContact CB-CG2 3.86Å; I516-I518 HydrophobicContact CG2-CD1 4.41Å; I516-I518 HydrophobicContact CG2-CG1 4.09Å; I516-I523 PolarHBondContact N-O 3.26Å; I516-I523 PolarHBondContact O-N 2.84Å; I516-C525 WeakPolarHBondContact CD1-SG 3.34Å; I516-V547 HydrophobicContact CD1-CG1 4.1Å
517M97.4Very high94.6Very high55 Ų5556.2 Ų56.227%0.27134%0.337SS..EExtended strand (participates in β ladder)trans-103.4115.4179.7-69.7167.5-87.400110.7L507 Q509 K521 T522L507-M517 HydrophobicContact CB-CB 4.24Å; L507-M517 HydrophobicContact CB-CE 3.71Å; L507-M517 PolarHBondContact O-N 3.22Å; Q509-M517 HydrophobicContact CB-CE 4.3Å; M517-K521 WeakPolarHBondContact CA-O 3.49Å; M517-T522 HydrophobicContact CG-CG2 4.44Å
518I95.3Very high94.4Very high1 Ų161.5 Ų61.51%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-117.398.4177.1-57.6177.1000107.3M469 W487 H506 I516 K521 I523 L534 V536 V547M469-I518 HydrophobicContact CB-CG2 4.49Å; W487-I518 HydrophobicContact CH2-CD1 3.69Å; W487-I518 HydrophobicContact CH2-CG2 4.3Å; W487-I518 HydrophobicContact CZ2-CD1 4.12Å; W487-I518 HydrophobicContact CZ3-CG2 4.27Å; H506-I518 HydrophobicContact CB-CG1 4.49Å; I516-I518 HydrophobicContact CG2-CD1 4.41Å; I516-I518 HydrophobicContact CG2-CG1 4.09Å; I518-K521 PolarHBondContact N-O 3.34Å; I518-K521 PolarHBondContact O-N 3.23Å; I518-I523 HydrophobicContact CD1-CD1 3.74Å; I518-L534 HydrophobicContact CB-CD1 4.44Å; I518-L534 HydrophobicContact CD1-CD1 3.95Å; I518-L534 HydrophobicContact CD1-CD2 4.18Å; I518-L534 HydrophobicContact CG2-CD1 4.32Å; I518-L534 HydrophobicContact CG2-CD2 4.46Å; I518-V536 HydrophobicContact CG2-CG1 4.14Å; I518-V547 HydrophobicContact CD1-CG2 3.5Å
519G92Very high94.2Very high44 Ų4461 Ų6145%0.45436%0.364SS..THydrogen-bonded Turntrans55.4-125.5-171.200000111.9M469 K521M469-G519 VanDerWaalsContact SD-CA 3.59Å; G519-K521 VanDerWaalsContact C-N 3.27Å; G519-K521 PolarHBondContact O-N 2.91Å
520P92.9Very high94.1Very high107 Ų10756.4 Ų56.470%0.69535%0.348SS*.THydrogen-bonded Turntrans-78.6-6.9178.633.4-35.9000113.8V536 Q537P520-V536 HydrophobicContact CG-CG2 3.87Å; P520-Q537 WeakPolarHBondContact CG-O 3.35Å
521K94.7Very high94Very high67 Ų6757.6 Ų57.629%0.29135%0.354SS..EExtended strand (participates in β ladder)trans-97131.3-176.1-172.7169.5-170.1171.50111.2M517 I518 G519 I523 L534 N535 V536M517-K521 WeakPolarHBondContact CA-O 3.49Å; I518-K521 PolarHBondContact N-O 3.34Å; I518-K521 PolarHBondContact O-N 3.23Å; G519-K521 VanDerWaalsContact C-N 3.27Å; G519-K521 PolarHBondContact O-N 2.91Å; K521-I523 HydrophobicContact CG-CG1 4.41Å; K521-L534 HydrophobicContact CD-CD1 4.26Å; K521-N535 VanDerWaalsContact CD-O 3.26Å; K521-N535 WeakPolarHBondContact CD-O 3.48Å; K521-N535 PolarHBondContact NZ-O 2.83Å; K521-V536 HydrophobicContact CB-CB 4.01Å; K521-V536 HydrophobicContact CB-CG2 3.63Å; K521-V536 HydrophobicContact CD-CB 4.09Å
522T95.8Very high94.3Very high82 Ų8256.9 Ų56.950%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-102.8125.8168.3-56.30000109.4T515 M517T515-T522 HydrophobicContact CG2-CG2 4.2Å; M517-T522 HydrophobicContact CG-CG2 4.44Å
523I95.1Very high94.6Very high6 Ų652 Ų523%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-103.4123.3176.7-64.8175.7000108.4T515 I516 I518 K521 V532 L534 V547T515-I523 CarbonylContact C-O 3.37Å; T515-I523 WeakPolarHBondContact CA-O 3.45Å; I516-I523 PolarHBondContact N-O 3.26Å; I516-I523 PolarHBondContact O-N 2.84Å; I518-I523 HydrophobicContact CD1-CD1 3.74Å; K521-I523 HydrophobicContact CG-CG1 4.41Å; I523-V532 HydrophobicContact CG2-CB 4.13Å; I523-V532 HydrophobicContact CG2-CG1 3.86Å; I523-V532 HydrophobicContact CG2-CG2 4.34Å; I523-L534 HydrophobicContact CD1-CD1 3.91Å; I523-V547 HydrophobicContact CD1-CB 4.17Å; I523-V547 HydrophobicContact CD1-CG2 3.69Å
524S95.1Very high94.6Very high94 Ų9451.5 Ų51.566%0.65732%0.315SS*.EExtended strand (participates in β ladder)trans-85.8112.7169.1-60.10000109.5
525C96.2Very high94.4Very high12 Ų1255.3 Ų55.38%0.08134%0.335CS..  trans-76.6140.7179.5-76.10000111.7L514 I516 C549L514-C525 HydrophobicContact CB-CB 4.1Å; L514-C525 HydrophobicContact CD2-CB 4.16Å; L514-C525 HydrophobicContact CG-CB 4.14Å; L514-C525 WeakPolarHBondContact O-CB 3.02Å; L514-C525 PolarHBondContact O-N 2.8Å; I516-C525 WeakPolarHBondContact CD1-SG 3.34Å; C525-C549 WeakPolarHBondContact CA-SG 3.34Å; C525-C549 HydrophobicContact CB-CB 3.5Å; C525-C549 VanDerWaalsContact CB-CB 3.5Å; C525-C549 WeakPolarHBondContact CB-SG 3.48Å; C525-C549 WeakPolarHBondContact SG-CB 3.46Å; C525-C549 CovalentContact SG-SG 2.04Å; C525-C549 PolarHBondContact SG-SG 2.83Å
526P95.5Very high94.3Very high58 Ų5854.1 Ų54.138%0.37733%0.328SS..  trans-58.4143.5170.2-2132.1000111.3Q528 G529 V532P526-Q528 VanDerWaalsContact C-N 3.27Å; P526-Q528 PolarHBondContact O-N 2.81Å; P526-G529 PolarHBondContact O-N 2.77Å; P526-V532 HydrophobicContact CG-CG2 4.34Å
527K92.8Very high94.1Very high122 Ų12259.7 Ų59.753%0.5335%0.354SS..THydrogen-bonded Turntrans-56.4-38.7-176.8-73-163.1176.4-1600113.5G529 C552 C559K527-G529 VanDerWaalsContact C-N 3.28Å; K527-G529 PolarHBondContact O-N 3.38Å; K527-C552 WeakPolarHBondContact O-CB 3Å; K527-C552 PolarHBondContact O-N 2.84Å; K527-C559 PolarHBondContact NZ-O 3.22Å
528Q93.6Very high93.7Very high169 Ų16957.7 Ų57.779%0.7935%0.348SS*.THydrogen-bonded Turntrans-85.63.8179.1-60.8-60.8-14.200113.6P526P526-Q528 VanDerWaalsContact C-N 3.27Å; P526-Q528 PolarHBondContact O-N 2.81Å
529G93.6Very high93.2Very high20 Ų2066.3 Ų66.321%0.20639%0.393CS..  trans77.8176.9-16800000112.3P526 K527 C549 P550P526-G529 PolarHBondContact O-N 2.77Å; K527-G529 VanDerWaalsContact C-N 3.28Å; K527-G529 PolarHBondContact O-N 3.38Å; G529-C549 VanDerWaalsContact CA-O 3.28Å; G529-C549 WeakPolarHBondContact CA-O 3.25Å; G529-P550 VanDerWaalsContact CA-O 3.3Å; G529-P550 WeakPolarHBondContact CA-O 3.41Å
530G93Very high93Very high22 Ų2267.1 Ų67.123%0.22739%0.393CS..EExtended strand (participates in β ladder)trans144.7178.6-178.400000113.1C549G530-C549 PolarHBondContact N-O 2.8Å; G530-C549 WeakPolarHBondContact O-CB 3.39Å; G530-C549 PolarHBondContact O-N 3.04Å
531T93.4Very high92.9Very high85 Ų8562.5 Ų62.552%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-92.5130.6-178.4-44.20000110.5F546 V547 Q548T531-F546 HydrophobicContact CG2-CB 3.73Å; T531-F546 HydrophobicContact CG2-CD1 3.68Å; T531-F546 HydrophobicContact CG2-CG 3.96Å; T531-V547 CarbonylContact C-O 3.59Å; T531-V547 WeakPolarHBondContact CA-O 3.41Å; T531-Q548 PolarHBondContact OG1-OE1 2.78Å
532V93.8Very high92.8Very high37 Ų3761 Ų6122%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-121.5133.2176.5-175.80000109.6I523 P526 L534 F546 V547I523-V532 HydrophobicContact CG2-CB 4.13Å; I523-V532 HydrophobicContact CG2-CG1 3.86Å; I523-V532 HydrophobicContact CG2-CG2 4.34Å; P526-V532 HydrophobicContact CG-CG2 4.34Å; V532-L534 PolarHBondContact O-N 3.39Å; V532-F546 CarbonylContact O-C 3.51Å; V532-F546 WeakPolarHBondContact O-CA 3.43Å; V532-V547 PolarHBondContact N-O 2.92Å; V532-V547 PolarHBondContact O-N 3.46Å
533A92.6Very high92.7Very high63 Ų6357.2 Ų57.252%0.52134%0.336SS..EExtended strand (participates in β ladder)trans-66.9130.8177.100000111.6F546A533-F546 HydrophobicContact CB-CD1 4.2Å; A533-F546 HydrophobicContact CB-CE1 3.92Å
534L92.4Very high92.6Very high5 Ų560.7 Ų60.73%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-101129.8174.5179.866.1000109.9W487 I518 K521 I523 V532 V536 I543 K544 G545 V547W487-L534 HydrophobicContact CD2-CD2 3.6Å; W487-L534 HydrophobicContact CE3-CD2 3.76Å; W487-L534 HydrophobicContact CG-CD2 4.41Å; W487-L534 HydrophobicContact CH2-CD2 3.59Å; W487-L534 HydrophobicContact CZ2-CD2 3.36Å; W487-L534 HydrophobicContact CZ3-CD2 3.76Å; I518-L534 HydrophobicContact CB-CD1 4.44Å; I518-L534 HydrophobicContact CD1-CD1 3.95Å; I518-L534 HydrophobicContact CD1-CD2 4.18Å; I518-L534 HydrophobicContact CG2-CD1 4.32Å; I518-L534 HydrophobicContact CG2-CD2 4.46Å; K521-L534 HydrophobicContact CD-CD1 4.26Å; I523-L534 HydrophobicContact CD1-CD1 3.91Å; V532-L534 PolarHBondContact O-N 3.39Å; L534-V536 HydrophobicContact CD1-CB 4.19Å; L534-V536 HydrophobicContact CD1-CG1 3.75Å; L534-V536 HydrophobicContact CD2-CG1 4.43Å; L534-V536 HydrophobicContact CG-CG1 4.14Å; L534-I543 HydrophobicContact CD2-CG2 3.74Å; L534-I543 HydrophobicContact CG-CG2 4.41Å; L534-K544 WeakPolarHBondContact O-CA 3.16Å; L534-G545 WeakPolarHBondContact CA-O 3.4Å; L534-G545 PolarHBondContact N-O 3.05Å; L534-G545 PolarHBondContact O-N 2.76Å; L534-V547 HydrophobicContact CB-CG2 4.38Å; L534-V547 HydrophobicContact CD2-CG2 4.49Å
535N93.2Very high92.4Very high81 Ų8156.7 Ų56.743%0.43332%0.324SS..EExtended strand (participates in β ladder)trans-150.3107.7169.7-173.3-7.6000106.4K521 L542 I543K521-N535 VanDerWaalsContact CD-O 3.26Å; K521-N535 WeakPolarHBondContact CD-O 3.48Å; K521-N535 PolarHBondContact NZ-O 2.83Å; N535-L542 WeakPolarHBondContact OD1-CD1 2.99Å; N535-L542 WeakPolarHBondContact OD1-CG 3.13Å; N535-I543 CarbonylContact C-O 3.54Å; N535-I543 VanDerWaalsContact CA-O 3.29Å; N535-I543 WeakPolarHBondContact CA-O 3.23Å
536V94.5Very high92.3Very high6 Ų659.2 Ų59.24%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-143.7129.2-173.560.50000111.8M469 I518 P520 K521 L534 I543M469-V536 HydrophobicContact CE-CG1 3.9Å; M469-V536 HydrophobicContact CE-CG2 4.28Å; M469-V536 HydrophobicContact SD-CG1 4.49Å; M469-V536 HydrophobicContact SD-CG2 4.32Å; I518-V536 HydrophobicContact CG2-CG1 4.14Å; P520-V536 HydrophobicContact CG-CG2 3.87Å; K521-V536 HydrophobicContact CB-CB 4.01Å; K521-V536 HydrophobicContact CB-CG2 3.63Å; K521-V536 HydrophobicContact CD-CB 4.09Å; L534-V536 HydrophobicContact CD1-CB 4.19Å; L534-V536 HydrophobicContact CD1-CG1 3.75Å; L534-V536 HydrophobicContact CD2-CG1 4.43Å; L534-V536 HydrophobicContact CG-CG1 4.14Å; V536-I543 HydrophobicContact CG1-CB 3.86Å; V536-I543 HydrophobicContact CG1-CG2 4.32Å; V536-I543 PolarHBondContact N-O 3.37Å; V536-I543 PolarHBondContact O-N 2.96Å
537Q93.8Very high92.2Very high117 Ų11756.5 Ų56.555%0.54732%0.316SS..EExtended strand (participates in β ladder)trans-80.6121.5174.9-175.863.249.600109.9P520 G541 L542P520-Q537 WeakPolarHBondContact CG-O 3.35Å; Q537-G541 PolarHBondContact NE2-O 2.79Å; Q537-L542 HydrophobicContact CB-CD1 4.28Å
538G87.8Confident92.3Very high14 Ų1454 Ų5414%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-113.7-178171.800000112.8S540 G541G538-S540 VanDerWaalsContact C-N 3.28Å; G538-S540 PolarHBondContact O-N 3.46Å; G538-G541 WeakPolarHBondContact CA-O 3.38Å; G538-G541 PolarHBondContact N-O 2.87Å; G538-G541 PolarHBondContact O-N 2.85Å
539N86.4Confident92.3Very high181 Ų18146 Ų4697%0.96827%0.27SS*.THydrogen-bonded Turntrans-64.5-33.8177.4-66.2-11000112.4
540S86.1Confident92.3Very high62 Ų6246.4 Ų46.443%0.43427%0.268SS..THydrogen-bonded Turntrans-86.4-12.4-178-550000113.7T491 G538T491-S540 WeakPolarHBondContact CG2-O 3.37Å; G538-S540 VanDerWaalsContact C-N 3.28Å; G538-S540 PolarHBondContact O-N 3.46Å
541G90.9Very high92.3Very high10 Ų1046.9 Ų46.910%0.10327%0.268CS..EExtended strand (participates in β ladder)trans141.4-169.9-17200000112.9E490 Q537 G538E490-G541 WeakPolarHBondContact O-CA 3.35Å; Q537-G541 PolarHBondContact NE2-O 2.79Å; G538-G541 WeakPolarHBondContact CA-O 3.38Å; G538-G541 PolarHBondContact N-O 2.87Å; G538-G541 PolarHBondContact O-N 2.85Å
542L94.2Very high92.3Very high36 Ų3642.9 Ų42.919%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-91.3117.9-179-175.368000110.1E490 N535 Q537 K544E490-L542 HydrophobicContact CB-CB 4.21Å; E490-L542 PolarHBondContact N-O 3.33Å; E490-L542 PolarHBondContact O-N 2.69Å; N535-L542 WeakPolarHBondContact OD1-CD1 2.99Å; N535-L542 WeakPolarHBondContact OD1-CG 3.13Å; Q537-L542 HydrophobicContact CB-CD1 4.28Å; L542-K544 HydrophobicContact CD2-CG 4.48Å; L542-K544 HydrophobicContact CG-CG 4.43Å
543I93.1Very high92.2Very high1 Ų145.3 Ų45.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-88.2125.5174.2-65.2-68.4000109.4M469 W487 V488 L489 T498 L534 N535 V536M469-I543 HydrophobicContact CE-CB 4.5Å; M469-I543 HydrophobicContact CE-CG1 3.91Å; W487-I543 HydrophobicContact CB-CG2 4.22Å; W487-I543 HydrophobicContact CD2-CG2 4.02Å; W487-I543 HydrophobicContact CE3-CG2 3.69Å; W487-I543 HydrophobicContact CG-CG2 4.25Å; W487-I543 HydrophobicContact CZ3-CG2 4.49Å; V488-I543 WeakPolarHBondContact O-CA 3.33Å; L489-I543 HydrophobicContact CB-CD1 4.01Å; L489-I543 HydrophobicContact CD1-CD1 3.63Å; L489-I543 HydrophobicContact CD1-CG1 4.22Å; L489-I543 HydrophobicContact CG-CD1 4.43Å; T498-I543 HydrophobicContact CG2-CD1 3.76Å; L534-I543 HydrophobicContact CD2-CG2 3.74Å; L534-I543 HydrophobicContact CG-CG2 4.41Å; N535-I543 CarbonylContact C-O 3.54Å; N535-I543 VanDerWaalsContact CA-O 3.29Å; N535-I543 WeakPolarHBondContact CA-O 3.23Å; V536-I543 HydrophobicContact CG1-CB 3.86Å; V536-I543 HydrophobicContact CG1-CG2 4.32Å; V536-I543 PolarHBondContact N-O 3.37Å; V536-I543 PolarHBondContact O-N 2.96Å
544K92Very high92Very high79 Ų7948.4 Ų48.434%0.34326%0.259SS..EExtended strand (participates in β ladder)trans-120.1141172.9-69.5176.6173.5169.30110.3W487 V488 E490 L534 L542W487-K544 WeakPolarHBondContact CA-O 3.3Å; V488-K544 HydrophobicContact CG2-CB 3.98Å; V488-K544 PolarHBondContact N-O 3.09Å; V488-K544 PolarHBondContact O-N 3.4Å; E490-K544 IonicContact OE1-NZ 3.96Å; E490-K544 WeakPolarHBondContact OE2-CE 3Å; E490-K544 IonicContact OE2-NZ 2.73Å; E490-K544 PolarHBondContact OE2-NZ 3.31Å; L534-K544 WeakPolarHBondContact O-CA 3.16Å; L542-K544 HydrophobicContact CD2-CG 4.48Å; L542-K544 HydrophobicContact CG-CG 4.43Å
545G91.9Very high92Very high10 Ų1050.2 Ų50.210%0.10327%0.27CS..EExtended strand (participates in β ladder)trans166.1-148.617700000111.7L534L534-G545 WeakPolarHBondContact CA-O 3.4Å; L534-G545 PolarHBondContact N-O 3.05Å; L534-G545 PolarHBondContact O-N 2.76Å
546F92.9Very high91.9Very high66 Ų6647.8 Ų47.829%0.28926%0.259SS..EExtended strand (participates in β ladder)trans-135.3151.9179.8-67.4-85.1000112H481 E485 W487 T531 V532 A533H481-F546 CarbonylContact C-O 3.49Å; H481-F546 VanDerWaalsContact CA-O 3.3Å; H481-F546 WeakPolarHBondContact CA-O 3.47Å; H481-F546 VanDerWaalsContact O-O 3.11Å; E485-F546 HydrophobicContact CB-CD2 4.23Å; E485-F546 VanDerWaalsContact OE2-CE2 3.25Å; E485-F546 WeakPolarHBondContact OE2-CE2 3.04Å; W487-F546 PolarHBondContact NE1-O 3.03Å; T531-F546 HydrophobicContact CG2-CB 3.73Å; T531-F546 HydrophobicContact CG2-CD1 3.68Å; T531-F546 HydrophobicContact CG2-CG 3.96Å; V532-F546 CarbonylContact O-C 3.51Å; V532-F546 WeakPolarHBondContact O-CA 3.43Å; A533-F546 HydrophobicContact CB-CD1 4.2Å; A533-F546 HydrophobicContact CB-CE1 3.92Å
547V94Very high91.4Very high0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans-114.3121.7171.4166.20000107.6V479 W487 I516 I518 I523 T531 V532 L534 C549V479-V547 HydrophobicContact CG1-CB 4.34Å; V479-V547 HydrophobicContact CG1-CG1 3.58Å; V479-V547 HydrophobicContact CG1-CG2 4.16Å; W487-V547 HydrophobicContact CZ2-CG2 3.81Å; I516-V547 HydrophobicContact CD1-CG1 4.1Å; I518-V547 HydrophobicContact CD1-CG2 3.5Å; I523-V547 HydrophobicContact CD1-CB 4.17Å; I523-V547 HydrophobicContact CD1-CG2 3.69Å; T531-V547 CarbonylContact C-O 3.59Å; T531-V547 WeakPolarHBondContact CA-O 3.41Å; V532-V547 PolarHBondContact N-O 2.92Å; V532-V547 PolarHBondContact O-N 3.46Å; L534-V547 HydrophobicContact CB-CG2 4.38Å; L534-V547 HydrophobicContact CD2-CG2 4.49Å; V547-C549 PolarHBondContact O-N 2.85Å
548Q94.3Very high90.8Very high69 Ų6955.1 Ų55.132%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-87.295.9170.6-17366.235.900108.6N480 T531N480-Q548 HydrophobicContact CB-CB 3.82Å; N480-Q548 HydrophobicContact CB-CG 4.46Å; N480-Q548 WeakPolarHBondContact O-CB 3.18Å; N480-Q548 PolarHBondContact O-N 2.77Å; T531-Q548 PolarHBondContact OG1-OE1 2.78Å
549C94.2Very high90.3Very high3 Ų357.7 Ų57.72%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-68.7131.2175.8-73.90000110.7C525 G529 G530 V547C525-C549 WeakPolarHBondContact CA-SG 3.34Å; C525-C549 HydrophobicContact CB-CB 3.5Å; C525-C549 VanDerWaalsContact CB-CB 3.5Å; C525-C549 WeakPolarHBondContact CB-SG 3.48Å; C525-C549 WeakPolarHBondContact SG-CB 3.46Å; C525-C549 CovalentContact SG-SG 2.04Å; C525-C549 PolarHBondContact SG-SG 2.83Å; G529-C549 VanDerWaalsContact CA-O 3.28Å; G529-C549 WeakPolarHBondContact CA-O 3.25Å; G530-C549 PolarHBondContact N-O 2.8Å; G530-C549 WeakPolarHBondContact O-CB 3.39Å; G530-C549 PolarHBondContact O-N 3.04Å; V547-C549 PolarHBondContact O-N 2.85Å
550P93.8Very high90.5Very high27 Ų2751.5 Ų51.518%0.17528%0.28CS..PPolyproline II helixtrans-71.9172.216532.6-34000110.5M477 L514 G529 V555M477-P550 HydrophobicContact CE-CG 3.65Å; L514-P550 HydrophobicContact CD2-CG 3.89Å; G529-P550 VanDerWaalsContact CA-O 3.3Å; G529-P550 WeakPolarHBondContact CA-O 3.41Å; P550-V555 HydrophobicContact CB-CG2 4.16Å; P550-V555 HydrophobicContact CG-CG2 3.48Å; P550-V555 VanDerWaalsContact CG-CG2 3.48Å
551S92.9Very high90.7Very high32 Ų3250.9 Ų50.922%0.22427%0.272CS..PPolyproline II helixtrans-66148.2172.576.60000110.7N553 E554S551-N553 VanDerWaalsContact C-N 3.29Å; S551-N553 PolarHBondContact O-N 3.4Å; S551-E554 WeakPolarHBondContact O-CB 3.4Å; S551-E554 PolarHBondContact O-N 2.96Å; S551-E554 WeakPolarHBondContact OG-CB 3.49Å; S551-E554 PolarHBondContact OG-N 2.85Å
552C93.6Very high90.7Very high1 Ų153.2 Ų53.21%0.00728%0.282CS..Hα-helixtrans-64-38.7-178.6-165.80000111.6G513 L514 K527 E554 V555 C556 C559G513-C552 VanDerWaalsContact C-SG 3.54Å; G513-C552 VanDerWaalsContact CA-SG 3.58Å; L514-C552 HydrophobicContact CB-CB 4.41Å; L514-C552 PolarHBondContact N-SG 3.38Å; K527-C552 WeakPolarHBondContact O-CB 3Å; K527-C552 PolarHBondContact O-N 2.84Å; C552-E554 VanDerWaalsContact C-N 3.29Å; C552-E554 PolarHBondContact O-N 3.11Å; C552-V555 PolarHBondContact O-N 3.16Å; C552-C556 WeakPolarHBondContact O-CB 3.26Å; C552-C556 PolarHBondContact O-N 2.9Å; C552-C559 VanDerWaalsContact C-SG 3.51Å; C552-C559 HydrophobicContact CB-CB 3.69Å; C552-C559 WeakPolarHBondContact CB-SG 3.45Å; C552-C559 WeakPolarHBondContact SG-CB 3.44Å; C552-C559 CovalentContact SG-SG 2.01Å; C552-C559 PolarHBondContact SG-SG 2.62Å
553N91.4Very high90.5Very high88 Ų8854.2 Ų54.247%0.47129%0.287SS..Hα-helixtrans-66.4-30.1178.7-70.8-18.7000112.9S551 V555 G557 C559S551-N553 VanDerWaalsContact C-N 3.29Å; S551-N553 PolarHBondContact O-N 3.4Å; N553-V555 VanDerWaalsContact C-N 3.32Å; N553-V555 PolarHBondContact O-N 2.95Å; N553-G557 VanDerWaalsContact O-CA 3.3Å; N553-G557 WeakPolarHBondContact O-CA 3.13Å; N553-G557 PolarHBondContact O-N 3.01Å; N553-G557 VanDerWaalsContact O-N 3.13Å; N553-C559 PolarHBondContact OD1-N 3.42Å
554E89.7Confident90.4Very high128 Ų12857.6 Ų57.660%0.59831%0.305SS*.Hα-helixtrans-66-34.6176.9-179-176.7162.800112.5S551 C552S551-E554 WeakPolarHBondContact O-CB 3.4Å; S551-E554 PolarHBondContact O-N 2.96Å; S551-E554 WeakPolarHBondContact OG-CB 3.49Å; S551-E554 PolarHBondContact OG-N 2.85Å; C552-E554 VanDerWaalsContact C-N 3.29Å; C552-E554 PolarHBondContact O-N 3.11Å
555V91.4Very high90.2Very high44 Ų4456.1 Ų56.127%0.26730%0.302SS..Hα-helixtrans-97.9-47.3-176.8-177.30000112.2M477 H508 L514 P550 C552 N553M477-V555 HydrophobicContact CE-CG2 3.87Å; M477-V555 HydrophobicContact SD-CG1 4.11Å; M477-V555 HydrophobicContact SD-CG2 4.48Å; H508-V555 VanDerWaalsContact CD2-CG1 3.46Å; H508-V555 WeakPolarHBondContact CD2-CG1 3.29Å; L514-V555 HydrophobicContact CD1-CB 4.27Å; L514-V555 HydrophobicContact CD1-CG1 3.9Å; L514-V555 HydrophobicContact CD2-CB 4.19Å; L514-V555 HydrophobicContact CD2-CG2 3.96Å; P550-V555 HydrophobicContact CB-CG2 4.16Å; P550-V555 HydrophobicContact CG-CG2 3.48Å; P550-V555 VanDerWaalsContact CG-CG2 3.48Å; C552-V555 PolarHBondContact O-N 3.16Å; N553-V555 VanDerWaalsContact C-N 3.32Å; N553-V555 PolarHBondContact O-N 2.95Å
556C91.6Very high90.1Very high30 Ų3059.4 Ų59.420%0.20332%0.316CS..Hα-helixtrans-96.8-11.3-171.2-62.20000113.7C510 C552 R558C510-C556 VanDerWaalsContact CA-SG 3.57Å; C510-C556 HydrophobicContact CB-CB 3.64Å; C510-C556 WeakPolarHBondContact CB-SG 3.47Å; C510-C556 WeakPolarHBondContact SG-CA 3.07Å; C510-C556 WeakPolarHBondContact SG-CB 3.5Å; C510-C556 CovalentContact SG-SG 2.03Å; C510-C556 PolarHBondContact SG-SG 2.9Å; C552-C556 WeakPolarHBondContact O-CB 3.26Å; C552-C556 PolarHBondContact O-N 2.9Å; C556-R558 PolarHBondContact O-N 3.3Å
557G83.4Confident89.9Confident54 Ų5458.9 Ų58.956%0.55732%0.318SS*.SBendtrans71.5-33.6-178.100000115.1N553N553-G557 VanDerWaalsContact O-CA 3.3Å; N553-G557 WeakPolarHBondContact O-CA 3.13Å; N553-G557 PolarHBondContact O-N 3.01Å; N553-G557 VanDerWaalsContact O-N 3.13Å
558R80.3Confident89.6Confident223 Ų22363.8 Ų63.884%0.84235%0.345SS*.  trans-141.1126.2173.7-70.1-175.7-179.9169.70.1111.6C556C556-R558 PolarHBondContact O-N 3.3Å
559C78.4Confident89.2Confident67 Ų6763.4 Ų63.445%0.45335%0.347SS..  trans-1470170-45.40000108.1K527 C552 N553K527-C559 PolarHBondContact NZ-O 3.22Å; C552-C559 VanDerWaalsContact C-SG 3.51Å; C552-C559 HydrophobicContact CB-CB 3.69Å; C552-C559 WeakPolarHBondContact CB-SG 3.45Å; C552-C559 WeakPolarHBondContact SG-CB 3.44Å; C552-C559 CovalentContact SG-SG 2.01Å; C552-C559 PolarHBondContact SG-SG 2.62Å; N553-C559 PolarHBondContact OD1-N 3.42Å

Retrieved 559 of 559 residues in 465.8 ms (Link to these results)

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