A0A077YZ61_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 533 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
1M45.4Very low52.2Low62 Ų6294.1 Ų94.131%0.30547%0.473SS..  0-67.40-89.5-178.9-80.600113.8C3 H4 F5 L16 T17 S20 C22 I24M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.23Å; M1-H4 PolarHBondContact O-N 3.21Å; M1-F5 PolarHBondContact O-N 3.11Å; M1-L16 HydrophobicContact CG-CB 3.35Å; M1-L16 HydrophobicContact CG-CD1 4.11Å; M1-L16 HydrophobicContact CG-CG 4.31Å; M1-L16 HydrophobicContact SD-CB 4.14Å; M1-T17 HydrophobicContact SD-CG2 3.76Å; M1-S20 WeakPolarHBondContact CE-OG 3.42Å; M1-S20 PolarHBondContact SD-OG 3.23Å; M1-C22 HydrophobicContact CE-CB 4.07Å; M1-I24 HydrophobicContact CB-CD1 3.67Å; M1-I24 HydrophobicContact CB-CG1 3.98Å; M1-I24 HydrophobicContact CG-CD1 4.13Å; M1-I24 HydrophobicContact CG-CG1 4.42Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG1 4.16Å
2R45.9Very low53.7Low147 Ų14790.7 Ų90.756%0.55546%0.461SS*.Hα-helixtrans-53.2-45.5-176.2-70.4-174.9174.8168.1-1112.9H4 F5 F6 I24 L166R2-H4 PolarHBondContact O-N 2.64Å; R2-F5 PolarHBondContact O-N 3.32Å; R2-F6 WeakPolarHBondContact O-CD2 3.43Å; R2-F6 WeakPolarHBondContact O-CE2 3.41Å; R2-I24 HydrophobicContact CG-CG2 3.96Å; R2-L166 HydrophobicContact CG-CD1 4.16Å
3C47.4Very low54.6Low83 Ų8384.8 Ų84.856%0.56143%0.432SS*.Hα-helixtrans-62.5-32177.7-56.20000114.8M1 F6 F7M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.23Å; C3-F6 WeakPolarHBondContact O-CB 3.21Å; C3-F6 PolarHBondContact O-N 3.44Å; C3-F7 VanDerWaalsContact O-CD2 3.29Å; C3-F7 WeakPolarHBondContact O-CD2 2.82Å
4H47.5Very low55.7Low73 Ų7388.9 Ų88.934%0.33845%0.446SS..Hα-helixtrans-77.2-31.6-178.6-71-76.3000112.9M1 R2 F6 F7 F9 T12 V13 L16M1-H4 PolarHBondContact O-N 3.21Å; R2-H4 PolarHBondContact O-N 2.64Å; H4-F6 PolarHBondContact O-N 2.95Å; H4-F7 PolarHBondContact O-N 3.11Å; H4-F9 PolarHBondContact O-N 2.97Å; H4-T12 HydrophobicContact CB-CG2 4.31Å; H4-V13 HydrophobicContact CB-CG2 4.01Å; H4-L16 HydrophobicContact CB-CD1 4.45Å; H4-L16 WeakPolarHBondContact CD2-CD1 3.48Å
5F46.9Very low57.1Low67 Ų6788.3 Ų88.329%0.29445%0.448SS..Hα-helixtrans-60.5-31172.7-169.7-98.8000111.5M1 R2 S8 V13M1-F5 PolarHBondContact O-N 3.11Å; R2-F5 PolarHBondContact O-N 3.32Å; F5-S8 PolarHBondContact O-N 3.48Å; F5-V13 HydrophobicContact CB-CG2 3.64Å; F5-V13 HydrophobicContact CD2-CG1 4.16Å; F5-V13 HydrophobicContact CD2-CG2 4.08Å; F5-V13 HydrophobicContact CG-CG2 4.37Å
6F47.2Very low57.7Low43 Ų4385.4 Ų85.419%0.18943%0.434CS..Hα-helixtrans-71.8-27.3179.6-76.7-65.7000115.3R2 C3 H4 S8 L166 P167 R170 L171R2-F6 WeakPolarHBondContact O-CD2 3.43Å; R2-F6 WeakPolarHBondContact O-CE2 3.41Å; C3-F6 WeakPolarHBondContact O-CB 3.21Å; C3-F6 PolarHBondContact O-N 3.44Å; H4-F6 PolarHBondContact O-N 2.95Å; F6-S8 PolarHBondContact O-N 3.1Å; F6-L166 HydrophobicContact CZ-CB 4.38Å; F6-P167 WeakPolarHBondContact CE1-O 3.44Å; F6-R170 HydrophobicContact CD1-CB 4.25Å; F6-R170 HydrophobicContact CE1-CB 3.38Å; F6-R170 VanDerWaalsContact CE1-N 3.28Å; F6-R170 HydrophobicContact CE2-CB 4.3Å; F6-R170 HydrophobicContact CZ-CB 3.43Å; F6-R170 VanDerWaalsContact CZ-CB 3.43Å; F6-R170 HydrophobicContact CZ-CG 4.35Å; F6-L171 HydrophobicContact CB-CB 4.09Å; F6-L171 HydrophobicContact CD1-CB 4.48Å; F6-L171 HydrophobicContact CG-CB 4.13Å
7F50.7Low58.5Low120 Ų12082.9 Ų82.953%0.52642%0.423SS..THydrogen-bonded Turntrans-85.510.8176.5-72.1-71.6000112.8C3 H4 F9 L171C3-F7 VanDerWaalsContact O-CD2 3.29Å; C3-F7 WeakPolarHBondContact O-CD2 2.82Å; H4-F7 PolarHBondContact O-N 3.11Å; F7-F9 HydrophobicContact CB-CD2 3.19Å; F7-F9 HydrophobicContact CB-CE2 3.24Å; F7-F9 HydrophobicContact CB-CG 4.01Å; F7-F9 HydrophobicContact CB-CZ 4.11Å; F7-F9 HydrophobicContact CD1-CE2 4.41Å; F7-F9 HydrophobicContact CD2-CD2 4.27Å; F7-F9 HydrophobicContact CD2-CE2 4.13Å; F7-F9 HydrophobicContact CG-CD2 4Å; F7-F9 AromaticContact CG-CE2 3.72Å; F7-F9 HydrophobicContact CG-CE2 3.72Å; F7-F9 PolarHBondContact O-N 2.88Å; F7-F9 VanDerWaalsContact O-N 3.13Å; F7-L171 HydrophobicContact CE1-CD2 4.33Å; F7-L171 HydrophobicContact CE2-CD2 4.05Å; F7-L171 HydrophobicContact CZ-CD2 3.79Å
8S52.9Low59.5Low107 Ų10786.6 Ų86.675%0.74844%0.444SS*.THydrogen-bonded Turntrans59.218.3-171.2-54.30000113.8F5 F6 S10F5-S8 PolarHBondContact O-N 3.48Å; F6-S8 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact O-N 3.12Å
9F58Low60.5Low109 Ų10989.9 Ų89.948%0.47846%0.457SS..  trans-77.167.8173.1-63.5-51.6000110.4H4 F7 E11 T12 V13H4-F9 PolarHBondContact O-N 2.97Å; F7-F9 HydrophobicContact CB-CD2 3.19Å; F7-F9 HydrophobicContact CB-CE2 3.24Å; F7-F9 HydrophobicContact CB-CG 4.01Å; F7-F9 HydrophobicContact CB-CZ 4.11Å; F7-F9 HydrophobicContact CD1-CE2 4.41Å; F7-F9 HydrophobicContact CD2-CD2 4.27Å; F7-F9 HydrophobicContact CD2-CE2 4.13Å; F7-F9 HydrophobicContact CG-CD2 4Å; F7-F9 AromaticContact CG-CE2 3.72Å; F7-F9 HydrophobicContact CG-CE2 3.72Å; F7-F9 PolarHBondContact O-N 2.88Å; F7-F9 VanDerWaalsContact O-N 3.13Å; F9-E11 PolarHBondContact O-N 3.16Å; F9-T12 PolarHBondContact O-N 3.41Å; F9-T12 VanDerWaalsContact O-N 3.17Å; F9-V13 WeakPolarHBondContact O-CG2 3.29Å; F9-V13 PolarHBondContact O-N 3.43Å; F9-V13 VanDerWaalsContact O-N 3.1Å
10S62.8Low61.1Low71 Ų7188.2 Ų88.250%0.49745%0.453SS..Hα-helixtrans-56.8-33.8-178.462.50000112.4S8 K14S8-S10 PolarHBondContact O-N 3.12Å; S10-K14 VanDerWaalsContact O-CG 3.3Å; S10-K14 WeakPolarHBondContact O-CG 3.4Å; S10-K14 PolarHBondContact O-N 3.02Å; S10-K14 VanDerWaalsContact O-N 3.14Å
11E69.7Low61.5Low153 Ų15387.1 Ų87.172%0.71546%0.464SS*.Hα-helixtrans-67.4-47.6176-68.1-177.5170.800112.5F9 V13 K14 V15F9-E11 PolarHBondContact O-N 3.16Å; E11-V13 VanDerWaalsContact C-N 3.27Å; E11-V13 PolarHBondContact O-N 2.86Å; E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 3.44Å; E11-K14 VanDerWaalsContact O-N 3.14Å; E11-V15 WeakPolarHBondContact O-CG2 3.33Å; E11-V15 PolarHBondContact O-N 2.99Å
12T69.8Low62.4Low53 Ų5387.9 Ų87.933%0.32548%0.475SS..Hα-helixtrans-64.2-35.3179.6-42.20000111.7H4 F9 L16H4-T12 HydrophobicContact CB-CG2 4.31Å; F9-T12 PolarHBondContact O-N 3.41Å; F9-T12 VanDerWaalsContact O-N 3.17Å; T12-L16 HydrophobicContact CG2-CD1 4.07Å; T12-L16 WeakPolarHBondContact O-CB 3.41Å; T12-L16 WeakPolarHBondContact O-CD1 3.39Å; T12-L16 WeakPolarHBondContact O-CG 3.33Å; T12-L16 PolarHBondContact O-N 2.99Å
13V66.2Low63.3Low14 Ų1486 Ų869%0.08548%0.48CS..Hα-helixtrans-62.5-48.1173.51740000110.9H4 F5 F9 E11 V15 L16 T17 I24H4-V13 HydrophobicContact CB-CG2 4.01Å; F5-V13 HydrophobicContact CB-CG2 3.64Å; F5-V13 HydrophobicContact CD2-CG1 4.16Å; F5-V13 HydrophobicContact CD2-CG2 4.08Å; F5-V13 HydrophobicContact CG-CG2 4.37Å; F9-V13 WeakPolarHBondContact O-CG2 3.29Å; F9-V13 PolarHBondContact O-N 3.43Å; F9-V13 VanDerWaalsContact O-N 3.1Å; E11-V13 VanDerWaalsContact C-N 3.27Å; E11-V13 PolarHBondContact O-N 2.86Å; V13-V15 VanDerWaalsContact C-N 3.34Å; V13-V15 PolarHBondContact O-N 3.3Å; V13-L16 PolarHBondContact O-N 2.75Å; V13-T17 HydrophobicContact CG1-CG2 4.25Å; V13-T17 WeakPolarHBondContact O-CG2 3.48Å; V13-T17 PolarHBondContact O-N 3.17Å; V13-T17 PolarHBondContact O-OG1 3.16Å; V13-I24 HydrophobicContact CG1-CD1 3.62Å
14K69.1Low64.3Low143 Ų14383.3 Ų83.362%0.62246%0.46SS*.Hα-helixtrans-58.3-45.8178.7-74.6172.6-178.7-179.90111.6S10 E11 T17 L18S10-K14 VanDerWaalsContact O-CG 3.3Å; S10-K14 WeakPolarHBondContact O-CG 3.4Å; S10-K14 PolarHBondContact O-N 3.02Å; S10-K14 VanDerWaalsContact O-N 3.14Å; E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 3.44Å; E11-K14 VanDerWaalsContact O-N 3.14Å; K14-T17 WeakPolarHBondContact CA-OG1 3.33Å; K14-T17 PolarHBondContact O-N 3.31Å; K14-T17 PolarHBondContact O-OG1 3.47Å; K14-L18 WeakPolarHBondContact O-CB 3.4Å; K14-L18 PolarHBondContact O-N 3.15Å; K14-L18 VanDerWaalsContact O-N 3.11Å
15V76.5Confident65.5Low79 Ų7980.6 Ų80.648%0.47945%0.447SS..Hα-helixtrans-61.1-49.7177.61750000110.7E11 V13 T17 L18 E19E11-V15 WeakPolarHBondContact O-CG2 3.33Å; E11-V15 PolarHBondContact O-N 2.99Å; V13-V15 VanDerWaalsContact C-N 3.34Å; V13-V15 PolarHBondContact O-N 3.3Å; V15-T17 PolarHBondContact O-N 3.11Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 3.39Å; V15-L18 VanDerWaalsContact O-N 3.1Å; V15-E19 HydrophobicContact CG1-CG 4.49Å; V15-E19 PolarHBondContact O-N 3.22Å
16L66.5Low67.2Low43 Ų4379.1 Ų79.123%0.22544%0.442CS..Hα-helixtrans-66-35.6-179.6-74.2164.3000113.3M1 H4 T12 V13 L18 E19 S20M1-L16 HydrophobicContact CG-CB 3.35Å; M1-L16 HydrophobicContact CG-CD1 4.11Å; M1-L16 HydrophobicContact CG-CG 4.31Å; M1-L16 HydrophobicContact SD-CB 4.14Å; H4-L16 HydrophobicContact CB-CD1 4.45Å; H4-L16 WeakPolarHBondContact CD2-CD1 3.48Å; T12-L16 HydrophobicContact CG2-CD1 4.07Å; T12-L16 WeakPolarHBondContact O-CB 3.41Å; T12-L16 WeakPolarHBondContact O-CD1 3.39Å; T12-L16 WeakPolarHBondContact O-CG 3.33Å; T12-L16 PolarHBondContact O-N 2.99Å; V13-L16 PolarHBondContact O-N 2.75Å; L16-L18 PolarHBondContact O-N 2.64Å; L16-E19 PolarHBondContact O-N 3.2Å; L16-S20 WeakPolarHBondContact O-CB 3.17Å; L16-S20 PolarHBondContact O-N 3.27Å; L16-S20 PolarHBondContact O-OG 2.92Å
17T72.4Confident68.9Low42 Ų4281 Ų8126%0.25846%0.459SS..Hα-helixtrans-63.9-33.6174.246.30000111.6M1 V13 K14 V15 G21 I24M1-T17 HydrophobicContact SD-CG2 3.76Å; V13-T17 HydrophobicContact CG1-CG2 4.25Å; V13-T17 WeakPolarHBondContact O-CG2 3.48Å; V13-T17 PolarHBondContact O-N 3.17Å; V13-T17 PolarHBondContact O-OG1 3.16Å; K14-T17 WeakPolarHBondContact CA-OG1 3.33Å; K14-T17 PolarHBondContact O-N 3.31Å; K14-T17 PolarHBondContact O-OG1 3.47Å; V15-T17 PolarHBondContact O-N 3.11Å; T17-G21 PolarHBondContact O-N 3.13Å; T17-G21 VanDerWaalsContact O-N 3.11Å; T17-I24 HydrophobicContact CG2-CD1 4.31Å; T17-I24 HydrophobicContact CG2-CG1 4.21Å
18L76.5Confident70.6Confident150 Ų15078.9 Ų78.979%0.78545%0.452SS*.Hα-helixtrans-74.3-42.4178.8-157.2154.6000111.1K14 V15 L16K14-L18 WeakPolarHBondContact O-CB 3.4Å; K14-L18 PolarHBondContact O-N 3.15Å; K14-L18 VanDerWaalsContact O-N 3.11Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 3.39Å; V15-L18 VanDerWaalsContact O-N 3.1Å; L16-L18 PolarHBondContact O-N 2.64Å
19E77.3Confident72.2Confident150 Ų15073.8 Ų73.870%0.70142%0.417SS*.Hα-helixtrans-71.2-35.4178.5-72.1-177.8165.900113.6V15 L16V15-E19 HydrophobicContact CG1-CG 4.49Å; V15-E19 PolarHBondContact O-N 3.22Å; L16-E19 PolarHBondContact O-N 3.2Å
20S74.2Confident73.4Confident54 Ų5470.4 Ų70.438%0.37841%0.405SS..Hα-helixtrans-92.2-20.9-175650000114.8M1 L16 C22M1-S20 WeakPolarHBondContact CE-OG 3.42Å; M1-S20 PolarHBondContact SD-OG 3.23Å; L16-S20 WeakPolarHBondContact O-CB 3.17Å; L16-S20 PolarHBondContact O-N 3.27Å; L16-S20 PolarHBondContact O-OG 2.92Å; S20-C22 PolarHBondContact O-N 3.17Å; S20-C22 PolarHBondContact OG-N 3.2Å
21G68.7Low74.7Confident66 Ų6671.5 Ų71.568%0.6840%0.401SS*.  trans684.2-170.900000115.3T17T17-G21 PolarHBondContact O-N 3.13Å; T17-G21 VanDerWaalsContact O-N 3.11Å
22C64.6Low75.7Confident78 Ų7864.2 Ų64.253%0.52737%0.367SS..  trans-97.4117-178.3-74.10000111.3M1 S20M1-C22 HydrophobicContact CE-CB 4.07Å; S20-C22 PolarHBondContact O-N 3.17Å; S20-C22 PolarHBondContact OG-N 3.2Å
23T65.5Low76.5Confident109 Ų10963.8 Ų63.867%0.66936%0.359SS*.  trans-75.9127.8169.8530000110.4
24I66.5Low77.6Confident26 Ų2668.8 Ų68.813%0.13338%0.382CS..SBendtrans-71-35.1-176.2-60.4175.6000112.1M1 R2 V13 T17 L166M1-I24 HydrophobicContact CB-CD1 3.67Å; M1-I24 HydrophobicContact CB-CG1 3.98Å; M1-I24 HydrophobicContact CG-CD1 4.13Å; M1-I24 HydrophobicContact CG-CG1 4.42Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG1 4.16Å; R2-I24 HydrophobicContact CG-CG2 3.96Å; V13-I24 HydrophobicContact CG1-CD1 3.62Å; T17-I24 HydrophobicContact CG2-CD1 4.31Å; T17-I24 HydrophobicContact CG2-CG1 4.21Å; I24-L166 HydrophobicContact CG2-CD1 3.31Å; I24-L166 HydrophobicContact CG2-CG 4.32Å
25E72.6Confident78.7Confident15 Ų1562.7 Ų62.77%0.0736%0.355CS..SBendtrans-126159.3-172.9-65.8179.4149.500109.6T30 R33 L166E25-T30 HydrophobicContact CB-CG2 3.65Å; E25-T30 VanDerWaalsContact OE2-CG2 3.31Å; E25-T30 WeakPolarHBondContact OE2-CG2 3.25Å; E25-R33 VanDerWaalsContact CD-NH1 3.28Å; E25-R33 IonicContact OE1-CZ 2.66Å; E25-R33 IonicContact OE1-NH1 2.75Å; E25-R33 PolarHBondContact OE1-NH1 3Å; E25-R33 IonicContact OE2-CZ 3.75Å; E25-R33 IonicContact OE2-NH1 3.14Å; E25-R33 PolarHBondContact OE2-NH1 3.27Å; E25-R33 IonicContact OE2-NH2 3.14Å; E25-R33 PolarHBondContact OE2-NH2 3.26Å; E25-L166 PolarHBondContact OE1-N 3.44Å
26N82.5Confident79.4Confident37 Ų3758.9 Ų58.920%0.19833%0.333CS..  trans-63.6130.2172.1-175.6-35.6000108.9L28 A29 T30 F54 V164N26-L28 PolarHBondContact O-N 2.65Å; N26-L28 VanDerWaalsContact O-N 3.12Å; N26-L28 WeakPolarHBondContact OD1-CB 3.38Å; N26-L28 PolarHBondContact OD1-N 3.18Å; N26-A29 HydrophobicContact CB-CB 4.04Å; N26-A29 WeakPolarHBondContact O-CA 3.48Å; N26-A29 WeakPolarHBondContact O-CB 3.24Å; N26-A29 PolarHBondContact O-N 2.9Å; N26-T30 PolarHBondContact O-N 3.05Å; N26-F54 WeakPolarHBondContact ND2-CE2 3.48Å; N26-F54 VanDerWaalsContact ND2-CZ 3.29Å; N26-F54 WeakPolarHBondContact ND2-CZ 3.29Å; N26-V164 HydrophobicContact CB-CG1 4.11Å; N26-V164 PolarHBondContact N-O 2.61Å; N26-V164 VanDerWaalsContact N-O 3.16Å
27P83.6Confident80.4Confident82 Ų8259.8 Ų59.853%0.53234%0.337SS..Hα-helixtrans-52.7-32.6176.5-27.834.7000114.3T30 K31P27-T30 WeakPolarHBondContact CA-OG1 3.12Å; P27-T30 PolarHBondContact O-OG1 2.91Å; P27-K31 WeakPolarHBondContact O-CB 3.05Å; P27-K31 PolarHBondContact O-N 2.85Å
28L86.3Confident81.3Confident75 Ų7562.4 Ų62.439%0.39335%0.353SS..Hα-helixtrans-69.1-36.1174.6-64.5178.1000111.9N26 F32 L51N26-L28 PolarHBondContact O-N 2.65Å; N26-L28 VanDerWaalsContact O-N 3.12Å; N26-L28 WeakPolarHBondContact OD1-CB 3.38Å; N26-L28 PolarHBondContact OD1-N 3.18Å; L28-F32 VanDerWaalsContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CB 3.38Å; L28-F32 PolarHBondContact O-N 2.81Å; L28-L51 HydrophobicContact CB-CD2 4.02Å
29A86Confident81.9Confident0 Ų056.1 Ų56.10%032%0.324CS..Hα-helixtrans-74.1-36.1178.300000112.1N26 R33 L51 V164 I165N26-A29 HydrophobicContact CB-CB 4.04Å; N26-A29 WeakPolarHBondContact O-CA 3.48Å; N26-A29 WeakPolarHBondContact O-CB 3.24Å; N26-A29 PolarHBondContact O-N 2.9Å; A29-R33 WeakPolarHBondContact O-CB 3.39Å; A29-R33 PolarHBondContact O-N 3.25Å; A29-L51 HydrophobicContact CB-CD2 4.29Å; A29-V164 HydrophobicContact CB-CG1 3.65Å; A29-V164 WeakPolarHBondContact CB-O 3.37Å; A29-I165 HydrophobicContact CB-CB 4.3Å
30T84Confident82.6Confident39 Ų3952 Ų5224%0.23931%0.307CS..Hα-helixtrans-64.4-45.5172.452.60000110.8E25 N26 P27 R33 E34E25-T30 HydrophobicContact CB-CG2 3.65Å; E25-T30 VanDerWaalsContact OE2-CG2 3.31Å; E25-T30 WeakPolarHBondContact OE2-CG2 3.25Å; N26-T30 PolarHBondContact O-N 3.05Å; P27-T30 WeakPolarHBondContact CA-OG1 3.12Å; P27-T30 PolarHBondContact O-OG1 2.91Å; T30-R33 PolarHBondContact O-N 2.98Å; T30-E34 WeakPolarHBondContact O-CG 3.42Å; T30-E34 PolarHBondContact O-N 3.14Å
31K89.3Confident83.4Confident94 Ų9450.4 Ų50.441%0.40929%0.293SS..Hα-helixtrans-60.5-48.2176.5-166.8-167.4-179.3-119.60111.2P27 R33 E34 E35P27-K31 WeakPolarHBondContact O-CB 3.05Å; P27-K31 PolarHBondContact O-N 2.85Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 2.91Å; K31-E34 PolarHBondContact O-N 3.14Å; K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 WeakPolarHBondContact CG-OE1 3.48Å; K31-E35 IonicContact NZ-OE1 3.88Å; K31-E35 PolarHBondContact NZ-OE1 3.42Å; K31-E35 VanDerWaalsContact O-CG 3.26Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.66Å
32F90.6Very high84.5Confident0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-57.2-43.7176175.7-110.6000112.4L28 E35 V36 A44 L48 L51 M64 I68 M153 L156 L160L28-F32 VanDerWaalsContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CB 3.38Å; L28-F32 PolarHBondContact O-N 2.81Å; F32-E35 PolarHBondContact O-N 2.89Å; F32-V36 HydrophobicContact CD2-CG2 4.33Å; F32-V36 HydrophobicContact CE1-CG2 4.27Å; F32-V36 HydrophobicContact CE2-CG2 3.94Å; F32-V36 HydrophobicContact CZ-CG2 3.93Å; F32-V36 VanDerWaalsContact O-CG2 3.32Å; F32-V36 WeakPolarHBondContact O-CG2 3.33Å; F32-V36 PolarHBondContact O-N 3.03Å; F32-A44 HydrophobicContact CD2-CB 4.28Å; F32-A44 VanDerWaalsContact CD2-O 3.31Å; F32-A44 WeakPolarHBondContact CD2-O 3.26Å; F32-A44 HydrophobicContact CE2-CB 4.17Å; F32-A44 VanDerWaalsContact CE2-O 3.27Å; F32-A44 WeakPolarHBondContact CE2-O 3.32Å; F32-L48 HydrophobicContact CD2-CB 4.43Å; F32-L48 HydrophobicContact CE2-CB 3.92Å; F32-L48 HydrophobicContact CE2-CD1 4.42Å; F32-L48 HydrophobicContact CZ-CD1 4.26Å; F32-L51 HydrophobicContact CB-CD1 3.79Å; F32-L51 HydrophobicContact CD1-CD1 3.84Å; F32-L51 HydrophobicContact CD2-CD1 4.43Å; F32-L51 HydrophobicContact CG-CD1 3.77Å; F32-M64 HydrophobicContact CE1-CE 4.26Å; F32-M64 HydrophobicContact CZ-CE 4.28Å; F32-I68 HydrophobicContact CE2-CD1 3.88Å; F32-I68 HydrophobicContact CZ-CD1 3.91Å; F32-M153 HydrophobicContact CE1-CE 4.17Å; F32-L156 HydrophobicContact CE1-CD1 4.35Å; F32-L156 HydrophobicContact CZ-CD1 4.03Å; F32-L160 HydrophobicContact CE1-CD1 4.45Å
33R87.9Confident85.8Confident44 Ų4448.4 Ų48.417%0.16627%0.27CS..Hα-helixtrans-62.7-44.5176.4-178.5176.865.2-150.4-8.5111.6E25 A29 T30 K31 V36 L37 M153 I165E25-R33 VanDerWaalsContact CD-NH1 3.28Å; E25-R33 IonicContact OE1-CZ 2.66Å; E25-R33 IonicContact OE1-NH1 2.75Å; E25-R33 PolarHBondContact OE1-NH1 3Å; E25-R33 IonicContact OE2-CZ 3.75Å; E25-R33 IonicContact OE2-NH1 3.14Å; E25-R33 PolarHBondContact OE2-NH1 3.27Å; E25-R33 IonicContact OE2-NH2 3.14Å; E25-R33 PolarHBondContact OE2-NH2 3.26Å; A29-R33 WeakPolarHBondContact O-CB 3.39Å; A29-R33 PolarHBondContact O-N 3.25Å; T30-R33 PolarHBondContact O-N 2.98Å; K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 PolarHBondContact O-N 2.91Å; R33-V36 PolarHBondContact O-N 3.35Å; R33-L37 HydrophobicContact CG-CD1 3.91Å; R33-L37 HydrophobicContact CG-CG 4.38Å; R33-L37 WeakPolarHBondContact O-CB 3.31Å; R33-L37 VanDerWaalsContact O-CG 3.26Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.04Å; R33-M153 HydrophobicContact CB-SD 4.28Å; R33-M153 HydrophobicContact CG-CG 4.15Å; R33-M153 HydrophobicContact CG-SD 4.1Å; R33-I165 HydrophobicContact CB-CD1 4.39Å
34E88.8Confident87Confident119 Ų11943.2 Ų43.256%0.55624%0.238SC*.Hα-helixtrans-62.3-42.7177.1-73.2173.5-178.100111.7T30 K31 V36 L37 T38T30-E34 WeakPolarHBondContact O-CG 3.42Å; T30-E34 PolarHBondContact O-N 3.14Å; K31-E34 PolarHBondContact O-N 3.14Å; E34-V36 PolarHBondContact O-N 3.21Å; E34-L37 PolarHBondContact O-N 3.34Å; E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 VanDerWaalsContact O-CG2 3.26Å; E34-T38 WeakPolarHBondContact O-CG2 3.3Å; E34-T38 PolarHBondContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 3.17Å
35E92.3Very high88.2Confident14 Ų1444 Ų447%0.06524%0.241CC..Hα-helixtrans-61.8-43176.2-69.9164.4168.400111.7K31 F32 T38 G39 D40 S43 A44 S47K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 WeakPolarHBondContact CG-OE1 3.48Å; K31-E35 IonicContact NZ-OE1 3.88Å; K31-E35 PolarHBondContact NZ-OE1 3.42Å; K31-E35 VanDerWaalsContact O-CG 3.26Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.66Å; F32-E35 PolarHBondContact O-N 2.89Å; E35-T38 WeakPolarHBondContact CA-OG1 3.43Å; E35-T38 PolarHBondContact O-OG1 3.38Å; E35-G39 PolarHBondContact O-N 3.2Å; E35-D40 PolarHBondContact O-N 3.3Å; E35-S43 WeakPolarHBondContact OE1-CB 3.46Å; E35-S43 VanDerWaalsContact OE2-C 3.26Å; E35-S43 VanDerWaalsContact OE2-O 3.11Å; E35-A44 HydrophobicContact CB-CB 3.94Å; E35-A44 WeakPolarHBondContact OE2-CA 3.32Å; E35-A44 PolarHBondContact OE2-N 2.95Å; E35-S47 VanDerWaalsContact CD-OG 3.29Å; E35-S47 PolarHBondContact OE1-OG 3.49Å; E35-S47 WeakPolarHBondContact OE2-CB 3.26Å; E35-S47 PolarHBondContact OE2-OG 2.86Å
36V91.2Very high89.2Confident0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-65.8-40.9176.2170.60000112.1F32 R33 E34 G39 W41 A44 L152 M153 L156F32-V36 HydrophobicContact CD2-CG2 4.33Å; F32-V36 HydrophobicContact CE1-CG2 4.27Å; F32-V36 HydrophobicContact CE2-CG2 3.94Å; F32-V36 HydrophobicContact CZ-CG2 3.93Å; F32-V36 VanDerWaalsContact O-CG2 3.32Å; F32-V36 WeakPolarHBondContact O-CG2 3.33Å; F32-V36 PolarHBondContact O-N 3.03Å; R33-V36 PolarHBondContact O-N 3.35Å; E34-V36 PolarHBondContact O-N 3.21Å; V36-G39 PolarHBondContact O-N 3.27Å; V36-W41 HydrophobicContact CG1-CZ3 4.3Å; V36-A44 HydrophobicContact CG2-CB 4.08Å; V36-L152 HydrophobicContact CG1-CD2 3.97Å; V36-L152 HydrophobicContact CG1-CG 4.36Å; V36-M153 HydrophobicContact CB-SD 4.28Å; V36-M153 HydrophobicContact CG1-CB 4.43Å; V36-M153 HydrophobicContact CG1-SD 4.15Å; V36-L156 HydrophobicContact CG1-CD1 4.34Å; V36-L156 HydrophobicContact CG2-CD1 4.21Å
37L88.6Confident89.6Confident61 Ų6148.2 Ų48.232%0.31926%0.26SS..Hα-helixtrans-73.2-36.2-179.5-69.5175.7000112.5R33 E34 G39 R149 N150R33-L37 HydrophobicContact CG-CD1 3.91Å; R33-L37 HydrophobicContact CG-CG 4.38Å; R33-L37 WeakPolarHBondContact O-CB 3.31Å; R33-L37 VanDerWaalsContact O-CG 3.26Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.04Å; E34-L37 PolarHBondContact O-N 3.34Å; L37-G39 VanDerWaalsContact C-N 3.33Å; L37-R149 HydrophobicContact CD2-CB 4.38Å; L37-R149 WeakPolarHBondContact O-CD 3.27Å; L37-R149 PolarHBondContact O-NH1 3.18Å; L37-N150 WeakPolarHBondContact CD2-OD1 3.27Å
38T90.4Very high90Very high98 Ų9844.3 Ų44.360%0.60124%0.235SC*.Hα-helixtrans-75.5-23.4174.754.70000112.5E34 E35 R149E34-T38 WeakPolarHBondContact O-CB 3.47Å; E34-T38 VanDerWaalsContact O-CG2 3.26Å; E34-T38 WeakPolarHBondContact O-CG2 3.3Å; E34-T38 PolarHBondContact O-N 3.1Å; E34-T38 PolarHBondContact O-OG1 3.17Å; E35-T38 WeakPolarHBondContact CA-OG1 3.43Å; E35-T38 PolarHBondContact O-OG1 3.38Å; T38-R149 PolarHBondContact O-NH1 3.26Å
39G88.4Confident90.2Very high17 Ų1745.9 Ų45.918%0.17524%0.241CC..THydrogen-bonded Turntrans88.519.5179.500000113.8E35 V36 L37 W41E35-G39 PolarHBondContact O-N 3.2Å; V36-G39 PolarHBondContact O-N 3.27Å; L37-G39 VanDerWaalsContact C-N 3.33Å; G39-W41 VanDerWaalsContact C-N 3.3Å; G39-W41 VanDerWaalsContact O-CD1 3.25Å; G39-W41 PolarHBondContact O-N 3.13Å; G39-W41 PolarHBondContact O-NE1 3.11Å
40D92Very high90.2Very high63 Ų6347.5 Ų47.534%0.33726%0.257SS..  trans-80.780172.1-173.2-5.3000110.2E35 S42 S43 A44E35-D40 PolarHBondContact O-N 3.3Å; D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 PolarHBondContact O-N 2.61Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; D40-S43 VanDerWaalsContact CG-CB 3.48Å; D40-S43 PolarHBondContact O-N 3.23Å; D40-S43 PolarHBondContact OD1-N 3.41Å; D40-S43 PolarHBondContact OD1-OG 2.81Å; D40-S43 VanDerWaalsContact OD2-CB 3.24Å; D40-S43 WeakPolarHBondContact OD2-CB 3.34Å; D40-S43 PolarHBondContact OD2-OG 2.92Å; D40-A44 WeakPolarHBondContact O-CB 3.24Å; D40-A44 PolarHBondContact O-N 3.36Å
41W92.4Very high90.4Very high21 Ų2145.6 Ų45.68%0.0825%0.245CC..Hα-helixtrans-64.2-31.7-174.1-52.2118.3000113.7V36 G39 M45 I68 R71 K72 E75 R149 L152V36-W41 HydrophobicContact CG1-CZ3 4.3Å; G39-W41 VanDerWaalsContact C-N 3.3Å; G39-W41 VanDerWaalsContact O-CD1 3.25Å; G39-W41 PolarHBondContact O-N 3.13Å; G39-W41 PolarHBondContact O-NE1 3.11Å; W41-M45 HydrophobicContact CB-CE 4.11Å; W41-M45 WeakPolarHBondContact O-CE 3.26Å; W41-M45 WeakPolarHBondContact O-CG 3.35Å; W41-M45 PolarHBondContact O-N 3.07Å; W41-M45 VanDerWaalsContact O-N 3.11Å; W41-I68 HydrophobicContact CB-CG2 4.49Å; W41-I68 HydrophobicContact CD2-CG2 4.43Å; W41-I68 HydrophobicContact CE3-CG2 3.68Å; W41-I68 HydrophobicContact CZ3-CG2 4.34Å; W41-R71 HydrophobicContact CH2-CB 4.29Å; W41-R71 HydrophobicContact CH2-CG 3.87Å; W41-R71 HydrophobicContact CZ2-CG 4.03Å; W41-K72 HydrophobicContact CB-CB 4.41Å; W41-K72 HydrophobicContact CB-CD 3.95Å; W41-K72 HydrophobicContact CB-CG 4.34Å; W41-K72 HydrophobicContact CD2-CB 4.25Å; W41-K72 HydrophobicContact CG-CB 3.86Å; W41-K72 HydrophobicContact CG-CD 4.15Å; W41-K72 HydrophobicContact CG-CG 3.99Å; W41-E75 WeakPolarHBondContact CZ2-OE2 3.31Å; W41-R149 HydrophobicContact CH2-CG 4.42Å; W41-L152 HydrophobicContact CH2-CD2 3.89Å; W41-L152 HydrophobicContact CZ3-CD2 3.75Å
42S90.5Very high90.2Very high74 Ų7443.1 Ų43.152%0.51724%0.24SC..Hα-helixtrans-63.5-54.8176.420.30000111D40 A44 M45 E46D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 PolarHBondContact O-N 2.61Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; S42-A44 VanDerWaalsContact C-N 3.29Å; S42-A44 PolarHBondContact O-N 3.24Å; S42-M45 WeakPolarHBondContact O-CB 3.41Å; S42-M45 PolarHBondContact O-N 2.94Å; S42-M45 VanDerWaalsContact O-N 3.13Å; S42-E46 PolarHBondContact O-N 2.98Å
43S92Very high90Very high29 Ų2950.2 Ų50.220%0.20328%0.278CS..Hα-helixtrans-64.3-38179.3-56.50000111.1E35 D40 M45 E46 S47E35-S43 WeakPolarHBondContact OE1-CB 3.46Å; E35-S43 VanDerWaalsContact OE2-C 3.26Å; E35-S43 VanDerWaalsContact OE2-O 3.11Å; D40-S43 VanDerWaalsContact CG-CB 3.48Å; D40-S43 PolarHBondContact O-N 3.23Å; D40-S43 PolarHBondContact OD1-N 3.41Å; D40-S43 PolarHBondContact OD1-OG 2.81Å; D40-S43 VanDerWaalsContact OD2-CB 3.24Å; D40-S43 WeakPolarHBondContact OD2-CB 3.34Å; D40-S43 PolarHBondContact OD2-OG 2.92Å; S43-M45 VanDerWaalsContact C-N 3.27Å; S43-M45 PolarHBondContact O-N 3.28Å; S43-E46 PolarHBondContact O-N 3.39Å; S43-S47 PolarHBondContact O-N 3.33Å; S43-S47 PolarHBondContact O-OG 2.73Å
44A92.1Very high89.9Confident0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-59.3-36.4174.900000112.6F32 E35 V36 D40 S42 L48F32-A44 HydrophobicContact CD2-CB 4.28Å; F32-A44 VanDerWaalsContact CD2-O 3.31Å; F32-A44 WeakPolarHBondContact CD2-O 3.26Å; F32-A44 HydrophobicContact CE2-CB 4.17Å; F32-A44 VanDerWaalsContact CE2-O 3.27Å; F32-A44 WeakPolarHBondContact CE2-O 3.32Å; E35-A44 HydrophobicContact CB-CB 3.94Å; E35-A44 WeakPolarHBondContact OE2-CA 3.32Å; E35-A44 PolarHBondContact OE2-N 2.95Å; V36-A44 HydrophobicContact CG2-CB 4.08Å; D40-A44 WeakPolarHBondContact O-CB 3.24Å; D40-A44 PolarHBondContact O-N 3.36Å; S42-A44 VanDerWaalsContact C-N 3.29Å; S42-A44 PolarHBondContact O-N 3.24Å; A44-L48 VanDerWaalsContact O-CB 3.27Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.17Å
45M91.9Very high89.8Confident41 Ų4147 Ų4720%0.20226%0.264CS..Hα-helixtrans-69.8-39.1177.1-72.5166.3-155.700112.4W41 S42 S43 L48 E49 I68 L69 K72W41-M45 HydrophobicContact CB-CE 4.11Å; W41-M45 WeakPolarHBondContact O-CE 3.26Å; W41-M45 WeakPolarHBondContact O-CG 3.35Å; W41-M45 PolarHBondContact O-N 3.07Å; W41-M45 VanDerWaalsContact O-N 3.11Å; S42-M45 WeakPolarHBondContact O-CB 3.41Å; S42-M45 PolarHBondContact O-N 2.94Å; S42-M45 VanDerWaalsContact O-N 3.13Å; S43-M45 VanDerWaalsContact C-N 3.27Å; S43-M45 PolarHBondContact O-N 3.28Å; M45-L48 WeakPolarHBondContact O-CB 3.43Å; M45-L48 PolarHBondContact O-N 3.37Å; M45-E49 PolarHBondContact O-N 2.96Å; M45-E49 VanDerWaalsContact O-N 3.16Å; M45-I68 HydrophobicContact CE-CG2 3.85Å; M45-L69 HydrophobicContact CE-CD2 3.21Å; M45-L69 HydrophobicContact CE-CG 3.88Å; M45-L69 HydrophobicContact SD-CD2 4.24Å; M45-K72 HydrophobicContact CE-CD 4.36Å
46E92.4Very high89.4Confident134 Ų13450.7 Ų50.763%0.62630%0.297SS*.Hα-helixtrans-65.6-45.2174.7-66.2178.9-175.200111.1S42 S43 L48 E49 G50S42-E46 PolarHBondContact O-N 2.98Å; S43-E46 PolarHBondContact O-N 3.39Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.89Å; E46-E49 WeakPolarHBondContact O-CB 3.33Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-E49 VanDerWaalsContact O-N 3.15Å; E46-G50 PolarHBondContact O-N 3.3Å
47S91.4Very high89.2Confident7 Ų755.3 Ų55.35%0.04932%0.317CS..Hα-helixtrans-63.5-35175.5-63.80000112E35 S43 E49 G50 L51E35-S47 VanDerWaalsContact CD-OG 3.29Å; E35-S47 PolarHBondContact OE1-OG 3.49Å; E35-S47 WeakPolarHBondContact OE2-CB 3.26Å; E35-S47 PolarHBondContact OE2-OG 2.86Å; S43-S47 PolarHBondContact O-N 3.33Å; S43-S47 PolarHBondContact O-OG 2.73Å; S47-E49 VanDerWaalsContact C-N 3.32Å; S47-E49 PolarHBondContact O-N 3.38Å; S47-G50 PolarHBondContact O-N 2.85Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.35Å
48L90.9Very high89Confident0 Ų057 Ų570%033%0.332CS..Hα-helixtrans-63.7-35.8174.2-178.862.3000112.3F32 A44 M45 E46 L51 S52 M64 R65 I68F32-L48 HydrophobicContact CD2-CB 4.43Å; F32-L48 HydrophobicContact CE2-CB 3.92Å; F32-L48 HydrophobicContact CE2-CD1 4.42Å; F32-L48 HydrophobicContact CZ-CD1 4.26Å; A44-L48 VanDerWaalsContact O-CB 3.27Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.17Å; M45-L48 WeakPolarHBondContact O-CB 3.43Å; M45-L48 PolarHBondContact O-N 3.37Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.89Å; L48-L51 CarbonylContact O-C 3.6Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-S52 PolarHBondContact O-N 3.28Å; L48-S52 VanDerWaalsContact O-N 3.17Å; L48-M64 HydrophobicContact CD1-CB 4.15Å; L48-M64 HydrophobicContact CD1-CE 3.49Å; L48-M64 VanDerWaalsContact CD1-CE 3.49Å; L48-M64 HydrophobicContact CD1-SD 3.82Å; L48-M64 HydrophobicContact CD2-CB 3.94Å; L48-R65 HydrophobicContact CD2-CG 3.62Å; L48-I68 HydrophobicContact CD2-CD1 3.93Å
49E90.4Very high88.8Confident109 Ų10959 Ų5951%0.50933%0.329SS..Hα-helixtrans-64.5-41.4172.3-73.6-176172.100111.7M45 E46 S47 L51 S52 R65M45-E49 PolarHBondContact O-N 2.96Å; M45-E49 VanDerWaalsContact O-N 3.16Å; E46-E49 WeakPolarHBondContact O-CB 3.33Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-E49 VanDerWaalsContact O-N 3.15Å; S47-E49 VanDerWaalsContact C-N 3.32Å; S47-E49 PolarHBondContact O-N 3.38Å; E49-L51 PolarHBondContact O-N 3.15Å; E49-S52 WeakPolarHBondContact O-CB 2.96Å; E49-S52 PolarHBondContact O-N 2.69Å; E49-S52 VanDerWaalsContact O-N 3.11Å; E49-S52 PolarHBondContact O-OG 3.41Å; E49-R65 VanDerWaalsContact CD-NH2 3.31Å; E49-R65 IonicContact OE1-CZ 2.65Å; E49-R65 IonicContact OE1-NH2 2.91Å; E49-R65 PolarHBondContact OE1-NH2 3.17Å
50G87.9Confident88.9Confident33 Ų3359.8 Ų59.834%0.3433%0.328SS..Hα-helixtrans-61.1-30.6172.200000113.1E46 S47 S52E46-G50 PolarHBondContact O-N 3.3Å; S47-G50 PolarHBondContact O-N 2.85Å; G50-S52 VanDerWaalsContact C-N 3.34Å
51L87.4Confident88.8Confident0 Ų058 Ų580%032%0.318CS..THydrogen-bonded Turntrans-83.1-6.6177.2-68.6172.9000114.2L28 A29 F32 S47 L48 E49 N53 F54 L160 V164L28-L51 HydrophobicContact CB-CD2 4.02Å; A29-L51 HydrophobicContact CB-CD2 4.29Å; F32-L51 HydrophobicContact CB-CD1 3.79Å; F32-L51 HydrophobicContact CD1-CD1 3.84Å; F32-L51 HydrophobicContact CD2-CD1 4.43Å; F32-L51 HydrophobicContact CG-CD1 3.77Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.35Å; L48-L51 CarbonylContact O-C 3.6Å; L48-L51 PolarHBondContact O-N 3.42Å; E49-L51 PolarHBondContact O-N 3.15Å; L51-N53 PolarHBondContact O-N 3.34Å; L51-N53 VanDerWaalsContact O-N 3.13Å; L51-F54 HydrophobicContact CD2-CD2 3.93Å; L51-F54 HydrophobicContact CD2-CE2 4.37Å; L51-F54 PolarHBondContact O-N 2.85Å; L51-L160 HydrophobicContact CB-CD2 4.4Å; L51-L160 HydrophobicContact CD1-CD1 4.33Å; L51-V164 HydrophobicContact CD2-CG1 3.97Å
52S86.1Confident88.7Confident41 Ų4159.6 Ų59.629%0.28733%0.33SS..G310 helixtrans-53-37.6-176.659.40000113.6L48 E49 G50 F54 V55 I61L48-S52 PolarHBondContact O-N 3.28Å; L48-S52 VanDerWaalsContact O-N 3.17Å; E49-S52 WeakPolarHBondContact O-CB 2.96Å; E49-S52 PolarHBondContact O-N 2.69Å; E49-S52 VanDerWaalsContact O-N 3.11Å; E49-S52 PolarHBondContact O-OG 3.41Å; G50-S52 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.28Å; S52-V55 PolarHBondContact O-N 3.42Å; S52-I61 VanDerWaalsContact CB-CD1 3.48Å
53N85.5Confident88.8Confident149 Ų14957.5 Ų57.580%0.79731%0.312SS*.G310 helixtrans-65.3-20.6179.1-67-26.8000113.8L51L51-N53 PolarHBondContact O-N 3.34Å; L51-N53 VanDerWaalsContact O-N 3.13Å
54F86.1Confident88.8Confident81 Ų8156.1 Ų56.136%0.35530%0.302SS..G310 helixtrans-95.3-11.3-179.1-60.9-73000113.4N26 L51 S52 P161 V164N26-F54 WeakPolarHBondContact ND2-CE2 3.48Å; N26-F54 VanDerWaalsContact ND2-CZ 3.29Å; N26-F54 WeakPolarHBondContact ND2-CZ 3.29Å; L51-F54 HydrophobicContact CD2-CD2 3.93Å; L51-F54 HydrophobicContact CD2-CE2 4.37Å; L51-F54 PolarHBondContact O-N 2.85Å; S52-F54 PolarHBondContact O-N 3.28Å; F54-P161 HydrophobicContact CB-CG 4.45Å; F54-P161 VanDerWaalsContact O-CD 3.24Å; F54-P161 WeakPolarHBondContact O-CD 3.48Å; F54-V164 HydrophobicContact CB-CG2 3.88Å; F54-V164 HydrophobicContact CD1-CG2 3.48Å; F54-V164 VanDerWaalsContact CD1-CG2 3.48Å; F54-V164 HydrophobicContact CD2-CG2 4.38Å; F54-V164 HydrophobicContact CE1-CG2 4.1Å; F54-V164 HydrophobicContact CG-CG2 3.65Å
55V85.9Confident88.8Confident15 Ų1559.8 Ų59.89%0.09132%0.316CS..  trans-82.8127-177.8-177.50000109.4S52 K57 H60 I61 M64 L160S52-V55 PolarHBondContact O-N 3.42Å; V55-K57 VanDerWaalsContact C-N 3.28Å; V55-K57 WeakPolarHBondContact CG1-O 2.92Å; V55-K57 PolarHBondContact O-N 3.13Å; V55-H60 HydrophobicContact CG1-CB 3.57Å; V55-I61 HydrophobicContact CB-CG1 4.08Å; V55-I61 HydrophobicContact CG1-CG1 4.13Å; V55-I61 HydrophobicContact CG2-CG1 4.08Å; V55-M64 HydrophobicContact CG2-SD 4.31Å; V55-L160 HydrophobicContact CG2-CD2 3.98Å
56A83.4Confident88.9Confident91 Ų9158 Ų5875%0.75231%0.307SS*.SBendtrans-62.1-30.1-172.500000114.7
57K87.9Confident89Confident97 Ų9751.9 Ų51.942%0.42228%0.279SS..SBendtrans-132.2129.4-176.3-74.8162.4159.6-173.70109.7V55 W59 H60V55-K57 VanDerWaalsContact C-N 3.28Å; V55-K57 WeakPolarHBondContact CG1-O 2.92Å; V55-K57 PolarHBondContact O-N 3.13Å; K57-W59 VanDerWaalsContact C-N 3.28Å; K57-W59 HydrophobicContact CB-CD2 3.91Å; K57-W59 HydrophobicContact CB-CE3 4.16Å; K57-W59 HydrophobicContact CB-CH2 4.04Å; K57-W59 HydrophobicContact CB-CZ2 3.79Å; K57-W59 HydrophobicContact CB-CZ3 4.2Å; K57-W59 HydrophobicContact CD-CH2 3.87Å; K57-W59 HydrophobicContact CD-CZ2 3.23Å; K57-W59 VanDerWaalsContact CE-CZ2 3.43Å; K57-W59 HydrophobicContact CG-CH2 3.7Å; K57-W59 HydrophobicContact CG-CZ2 3.54Å; K57-W59 HydrophobicContact CG-CZ3 4.28Å; K57-W59 PolarHBondContact O-N 3.07Å; K57-H60 VanDerWaalsContact CD-CE1 3.47Å; K57-H60 WeakPolarHBondContact CD-CE1 3.28Å; K57-H60 WeakPolarHBondContact CD-NE2 3.44Å; K57-H60 WeakPolarHBondContact O-CB 3.42Å; K57-H60 PolarHBondContact O-N 3.13Å
58P84Confident89.1Confident98 Ų9851.6 Ų51.664%0.63628%0.277SS*.Hα-helixtrans-58.2-34.5-176.4-27.134.4000114.5H60 I61P58-H60 VanDerWaalsContact C-N 3.31Å; P58-H60 PolarHBondContact O-N 2.75Å; P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 PolarHBondContact O-N 3Å
59W86.5Confident89.2Confident138 Ų13852 Ų5252%0.52328%0.279SS..Hα-helixtrans-70-25179.459.588.7000113.2K57 I61 V62 E63K57-W59 VanDerWaalsContact C-N 3.28Å; K57-W59 HydrophobicContact CB-CD2 3.91Å; K57-W59 HydrophobicContact CB-CE3 4.16Å; K57-W59 HydrophobicContact CB-CH2 4.04Å; K57-W59 HydrophobicContact CB-CZ2 3.79Å; K57-W59 HydrophobicContact CB-CZ3 4.2Å; K57-W59 HydrophobicContact CD-CH2 3.87Å; K57-W59 HydrophobicContact CD-CZ2 3.23Å; K57-W59 VanDerWaalsContact CE-CZ2 3.43Å; K57-W59 HydrophobicContact CG-CH2 3.7Å; K57-W59 HydrophobicContact CG-CZ2 3.54Å; K57-W59 HydrophobicContact CG-CZ3 4.28Å; K57-W59 PolarHBondContact O-N 3.07Å; W59-I61 PolarHBondContact O-N 3.24Å; W59-V62 WeakPolarHBondContact O-CA 3.5Å; W59-V62 VanDerWaalsContact O-CB 3.28Å; W59-V62 WeakPolarHBondContact O-CB 3.47Å; W59-V62 PolarHBondContact O-N 2.92Å; W59-E63 WeakPolarHBondContact O-CG 3.42Å; W59-E63 PolarHBondContact O-N 3.18Å; W59-E63 VanDerWaalsContact O-N 3.13Å
60H90.4Very high89.3Confident34 Ų3447.3 Ų47.316%0.15726%0.257CS..Hα-helixtrans-60.4-27.5174.5-67.9173.5000111.9V55 K57 P58 V62 E63 M64 Y159V55-H60 HydrophobicContact CG1-CB 3.57Å; K57-H60 VanDerWaalsContact CD-CE1 3.47Å; K57-H60 WeakPolarHBondContact CD-CE1 3.28Å; K57-H60 WeakPolarHBondContact CD-NE2 3.44Å; K57-H60 WeakPolarHBondContact O-CB 3.42Å; K57-H60 PolarHBondContact O-N 3.13Å; P58-H60 VanDerWaalsContact C-N 3.31Å; P58-H60 PolarHBondContact O-N 2.75Å; H60-V62 VanDerWaalsContact C-N 3.3Å; H60-V62 PolarHBondContact O-N 3.47Å; H60-E63 IonicContact CD2-OE2 3.85Å; H60-E63 PolarHBondContact O-N 3.45Å; H60-M64 WeakPolarHBondContact O-CB 3.48Å; H60-M64 VanDerWaalsContact O-CG 3.26Å; H60-M64 WeakPolarHBondContact O-CG 3.26Å; H60-M64 PolarHBondContact O-N 2.83Å; H60-Y159 HydrophobicContact CB-CD1 3.71Å; H60-Y159 HydrophobicContact CB-CE1 4.36Å; H60-Y159 HydrophobicContact CB-CG 4.32Å; H60-Y159 AromaticContact CD2-CD1 3.99Å; H60-Y159 AromaticContact CG-CD1 3.57Å; H60-Y159 AromaticContact ND1-CD1 3.71Å
61I89.9Confident89.5Confident27 Ų2747 Ų4714%0.13825%0.245CC..Hα-helixtrans-63.6-39.8173.6-60.4168.6000110.2S52 V55 P58 W59 E63 M64 R65S52-I61 VanDerWaalsContact CB-CD1 3.48Å; V55-I61 HydrophobicContact CB-CG1 4.08Å; V55-I61 HydrophobicContact CG1-CG1 4.13Å; V55-I61 HydrophobicContact CG2-CG1 4.08Å; P58-I61 WeakPolarHBondContact O-CB 3.29Å; P58-I61 PolarHBondContact O-N 3Å; W59-I61 PolarHBondContact O-N 3.24Å; I61-E63 VanDerWaalsContact C-N 3.33Å; I61-M64 PolarHBondContact O-N 2.89Å; I61-R65 WeakPolarHBondContact O-CB 3.46Å; I61-R65 VanDerWaalsContact O-CG 3.29Å; I61-R65 WeakPolarHBondContact O-CG 3.22Å; I61-R65 PolarHBondContact O-N 3.43Å
62V90.8Very high89.7Confident53 Ų5348.9 Ų48.932%0.32125%0.254SS..Hα-helixtrans-64.7-40.4175.7-177.10000110.3W59 H60 R65 F66 L96W59-V62 WeakPolarHBondContact O-CA 3.5Å; W59-V62 VanDerWaalsContact O-CB 3.28Å; W59-V62 WeakPolarHBondContact O-CB 3.47Å; W59-V62 PolarHBondContact O-N 2.92Å; H60-V62 VanDerWaalsContact C-N 3.3Å; H60-V62 PolarHBondContact O-N 3.47Å; V62-R65 PolarHBondContact O-N 3.41Å; V62-F66 WeakPolarHBondContact O-CB 3.47Å; V62-F66 PolarHBondContact O-N 2.89Å; V62-L96 HydrophobicContact CG1-CB 4.18Å; V62-L96 HydrophobicContact CG1-CD2 4.22Å
63E91.2Very high89.9Confident30 Ų3046.9 Ų46.914%0.1424%0.24CC..Hα-helixtrans-64.5-46.1175.6-51.3-171.9-177.600111.5W59 H60 I61 R65 F66 L67 Y98 Y159W59-E63 WeakPolarHBondContact O-CG 3.42Å; W59-E63 PolarHBondContact O-N 3.18Å; W59-E63 VanDerWaalsContact O-N 3.13Å; H60-E63 IonicContact CD2-OE2 3.85Å; H60-E63 PolarHBondContact O-N 3.45Å; I61-E63 VanDerWaalsContact C-N 3.33Å; E63-R65 VanDerWaalsContact C-N 3.34Å; E63-R65 PolarHBondContact O-N 3.05Å; E63-F66 WeakPolarHBondContact O-CB 3.45Å; E63-F66 PolarHBondContact O-N 3.18Å; E63-F66 VanDerWaalsContact O-N 3.17Å; E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.42Å; E63-L67 PolarHBondContact O-N 2.9Å; E63-Y98 HydrophobicContact CB-CE1 4.25Å; E63-Y98 HydrophobicContact CB-CE2 4.39Å; E63-Y98 VanDerWaalsContact CD-OH 3.3Å; E63-Y98 HydrophobicContact CG-CD2 4.13Å; E63-Y98 HydrophobicContact CG-CE1 4.18Å; E63-Y98 HydrophobicContact CG-CE2 3.47Å; E63-Y98 VanDerWaalsContact CG-CE2 3.47Å; E63-Y98 VanDerWaalsContact CG-CZ 3.47Å; E63-Y159 WeakPolarHBondContact OE2-CE1 3.47Å; E63-Y159 PolarHBondContact OE2-OH 3.35Å; E63-Y159 VanDerWaalsContact OE2-OH 3.14Å
64M92.5Very high90.1Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-60.4-44176.1-71.5178.179.400111.5F32 L48 V55 H60 I61 F66 L67 I68 L156 Y159 L160F32-M64 HydrophobicContact CE1-CE 4.26Å; F32-M64 HydrophobicContact CZ-CE 4.28Å; L48-M64 HydrophobicContact CD1-CB 4.15Å; L48-M64 HydrophobicContact CD1-CE 3.49Å; L48-M64 VanDerWaalsContact CD1-CE 3.49Å; L48-M64 HydrophobicContact CD1-SD 3.82Å; L48-M64 HydrophobicContact CD2-CB 3.94Å; V55-M64 HydrophobicContact CG2-SD 4.31Å; H60-M64 WeakPolarHBondContact O-CB 3.48Å; H60-M64 VanDerWaalsContact O-CG 3.26Å; H60-M64 WeakPolarHBondContact O-CG 3.26Å; H60-M64 PolarHBondContact O-N 2.83Å; I61-M64 PolarHBondContact O-N 2.89Å; M64-F66 VanDerWaalsContact C-N 3.33Å; M64-F66 PolarHBondContact O-N 3.18Å; M64-L67 PolarHBondContact O-N 3.21Å; M64-I68 WeakPolarHBondContact O-CG1 3.19Å; M64-I68 PolarHBondContact O-N 3.04Å; M64-L156 HydrophobicContact CB-CD2 3.71Å; M64-L156 HydrophobicContact CE-CB 4.26Å; M64-L156 HydrophobicContact CE-CD2 4.07Å; M64-L156 HydrophobicContact CG-CD2 3.82Å; M64-Y159 HydrophobicContact CG-CD2 3.55Å; M64-Y159 HydrophobicContact CG-CE2 4.23Å; M64-Y159 HydrophobicContact CG-CG 3.89Å; M64-Y159 HydrophobicContact SD-CD2 4.26Å; M64-Y159 HydrophobicContact SD-CG 4.18Å; M64-L160 HydrophobicContact CE-CD1 4.09Å; M64-L160 HydrophobicContact CE-CD2 4.44Å; M64-L160 HydrophobicContact CE-CG 4.03Å
65R93.3Very high90.2Very high77 Ų7738.7 Ų38.729%0.29120%0.199SC..Hα-helixtrans-59-45.1173.3-77.1177.8177.8-165.8-6.9111.6L48 E49 I61 V62 E63 L67 I68 L69 L96L48-R65 HydrophobicContact CD2-CG 3.62Å; E49-R65 VanDerWaalsContact CD-NH2 3.31Å; E49-R65 IonicContact OE1-CZ 2.65Å; E49-R65 IonicContact OE1-NH2 2.91Å; E49-R65 PolarHBondContact OE1-NH2 3.17Å; I61-R65 WeakPolarHBondContact O-CB 3.46Å; I61-R65 VanDerWaalsContact O-CG 3.29Å; I61-R65 WeakPolarHBondContact O-CG 3.22Å; I61-R65 PolarHBondContact O-N 3.43Å; V62-R65 PolarHBondContact O-N 3.41Å; E63-R65 VanDerWaalsContact C-N 3.34Å; E63-R65 PolarHBondContact O-N 3.05Å; R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 PolarHBondContact O-N 3.46Å; R65-I68 PolarHBondContact O-N 2.94Å; R65-L69 WeakPolarHBondContact O-CB 3.47Å; R65-L69 VanDerWaalsContact O-CG 3.27Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.32Å; R65-L96 HydrophobicContact CB-CD1 4.16Å
66F93.5Very high90.3Very high3 Ų339.2 Ų39.21%0.01320%0.201CC..Hα-helixtrans-58.7-45.5177.1-178.4-87.9000111.5V62 E63 M64 L69 E70 L93 L96 Y98 N99 R102 L103V62-F66 WeakPolarHBondContact O-CB 3.47Å; V62-F66 PolarHBondContact O-N 2.89Å; E63-F66 WeakPolarHBondContact O-CB 3.45Å; E63-F66 PolarHBondContact O-N 3.18Å; E63-F66 VanDerWaalsContact O-N 3.17Å; M64-F66 VanDerWaalsContact C-N 3.33Å; M64-F66 PolarHBondContact O-N 3.18Å; F66-L69 PolarHBondContact O-N 3.35Å; F66-E70 HydrophobicContact CE1-CB 4.44Å; F66-E70 WeakPolarHBondContact O-CB 3.46Å; F66-E70 PolarHBondContact O-N 2.94Å; F66-L93 HydrophobicContact CD2-CD2 3.7Å; F66-L93 HydrophobicContact CE2-CD2 3.81Å; F66-L93 HydrophobicContact CG-CD2 4.29Å; F66-L93 HydrophobicContact CZ-CD2 4.44Å; F66-L96 HydrophobicContact CB-CD1 3.93Å; F66-L96 HydrophobicContact CD2-CD1 4.35Å; F66-Y98 HydrophobicContact CB-CD1 3.68Å; F66-Y98 HydrophobicContact CB-CE1 4.29Å; F66-Y98 HydrophobicContact CB-CG 4.48Å; F66-Y98 AromaticContact CD1-CD1 3.77Å; F66-Y98 HydrophobicContact CD1-CD1 3.77Å; F66-Y98 HydrophobicContact CD1-CE1 4.02Å; F66-Y98 AromaticContact CD2-CD1 3.77Å; F66-Y98 HydrophobicContact CD2-CD1 3.77Å; F66-Y98 HydrophobicContact CD2-CG 4.48Å; F66-Y98 HydrophobicContact CE1-CD1 4.33Å; F66-Y98 HydrophobicContact CE2-CD1 4.3Å; F66-Y98 WeakPolarHBondContact CE2-O 3.49Å; F66-Y98 AromaticContact CG-CD1 3.46Å; F66-Y98 HydrophobicContact CG-CD1 3.46Å; F66-Y98 VanDerWaalsContact CG-CD1 3.46Å; F66-Y98 HydrophobicContact CG-CE1 4.13Å; F66-Y98 HydrophobicContact CG-CG 4.45Å; F66-N99 HydrophobicContact CZ-CB 4.28Å; F66-R102 HydrophobicContact CE1-CG 4.1Å; F66-R102 HydrophobicContact CZ-CB 4.12Å; F66-R102 HydrophobicContact CZ-CG 3.96Å; F66-L103 HydrophobicContact CE2-CD2 3.8Å; F66-L103 HydrophobicContact CE2-CG 3.91Å; F66-L103 HydrophobicContact CZ-CD2 4.45Å; F66-L103 HydrophobicContact CZ-CG 4.43Å
67L93.2Very high90.3Very high7 Ų738.3 Ų38.34%0.03718%0.179CC..Hα-helixtrans-63.6-42.1179.6-67.2176.6000113E63 M64 R65 R71 L152 R155 L156 Y159E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.42Å; E63-L67 PolarHBondContact O-N 2.9Å; M64-L67 PolarHBondContact O-N 3.21Å; R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 PolarHBondContact O-N 3.46Å; L67-R71 PolarHBondContact O-N 3.05Å; L67-R71 VanDerWaalsContact O-N 3.1Å; L67-L152 HydrophobicContact CB-CD1 3.8Å; L67-R155 HydrophobicContact CD1-CB 4.2Å; L67-L156 HydrophobicContact CB-CD2 4.1Å; L67-L156 HydrophobicContact CD1-CD2 4.15Å; L67-Y159 HydrophobicContact CD1-CE2 3.89Å
68I93.6Very high90.1Very high0 Ų038.4 Ų38.40%018%0.181CC..Hα-helixtrans-63.4-47.7176.4-68.1169.2000110.2F32 W41 M45 L48 M64 R65 R71 K72 L156F32-I68 HydrophobicContact CE2-CD1 3.88Å; F32-I68 HydrophobicContact CZ-CD1 3.91Å; W41-I68 HydrophobicContact CB-CG2 4.49Å; W41-I68 HydrophobicContact CD2-CG2 4.43Å; W41-I68 HydrophobicContact CE3-CG2 3.68Å; W41-I68 HydrophobicContact CZ3-CG2 4.34Å; M45-I68 HydrophobicContact CE-CG2 3.85Å; L48-I68 HydrophobicContact CD2-CD1 3.93Å; M64-I68 WeakPolarHBondContact O-CG1 3.19Å; M64-I68 PolarHBondContact O-N 3.04Å; R65-I68 PolarHBondContact O-N 2.94Å; I68-R71 PolarHBondContact O-N 2.91Å; I68-K72 PolarHBondContact O-N 2.89Å; I68-L156 HydrophobicContact CD1-CD1 4.32Å; I68-L156 HydrophobicContact CG1-CD1 3.85Å; I68-L156 HydrophobicContact CG1-CD2 4.19Å
69L93.7Very high90.2Very high9 Ų936.7 Ų36.75%0.04717%0.171CC..Hα-helixtrans-68.3-36.3-179.6-71.1172.9000112.9M45 R65 F66 R71 K72 Y73 V88 E92 L93 L96M45-L69 HydrophobicContact CE-CD2 3.21Å; M45-L69 HydrophobicContact CE-CG 3.88Å; M45-L69 HydrophobicContact SD-CD2 4.24Å; R65-L69 WeakPolarHBondContact O-CB 3.47Å; R65-L69 VanDerWaalsContact O-CG 3.27Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 3.32Å; F66-L69 PolarHBondContact O-N 3.35Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 2.98Å; L69-K72 HydrophobicContact CD2-CD 4.24Å; L69-K72 PolarHBondContact O-N 2.93Å; L69-Y73 VanDerWaalsContact O-CB 3.31Å; L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 PolarHBondContact O-N 3.26Å; L69-V88 HydrophobicContact CD2-CG1 4.23Å; L69-E92 HydrophobicContact CD1-CB 3.88Å; L69-E92 HydrophobicContact CD2-CB 3.74Å; L69-E92 HydrophobicContact CD2-CG 4.43Å; L69-E92 WeakPolarHBondContact CD2-OE2 3.31Å; L69-E92 HydrophobicContact CG-CB 4.46Å; L69-L93 HydrophobicContact CB-CD1 4.38Å; L69-L93 HydrophobicContact CB-CD2 3.71Å; L69-L93 HydrophobicContact CB-CG 3.74Å; L69-L96 HydrophobicContact CD1-CD1 3.8Å
70E91.8Very high89.9Confident10 Ų1033.2 Ų33.25%0.04718%0.178CC..Hα-helixtrans-57-45.3171.5176.9-177.9-16700109.7F66 Y73 L74 R102 L106 R155F66-E70 HydrophobicContact CE1-CB 4.44Å; F66-E70 WeakPolarHBondContact O-CB 3.46Å; F66-E70 PolarHBondContact O-N 2.94Å; E70-Y73 WeakPolarHBondContact O-CB 3.18Å; E70-Y73 PolarHBondContact O-N 2.96Å; E70-L74 HydrophobicContact CG-CD1 4.18Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.44Å; E70-L74 PolarHBondContact O-N 3.26Å; E70-R102 IonicContact OE1-CZ 3.55Å; E70-R102 VanDerWaalsContact OE1-CZ 3.24Å; E70-R102 IonicContact OE1-NE 2.73Å; E70-R102 PolarHBondContact OE1-NE 3.34Å; E70-R102 IonicContact OE1-NH2 3.7Å; E70-R102 PolarHBondContact OE1-NH2 2.85Å; E70-L106 HydrophobicContact CG-CD1 4.22Å; E70-L106 HydrophobicContact CG-CD2 4.49Å; E70-R155 IonicContact OE2-NH1 2.82Å
71R92.2Very high89.7Confident26 Ų2638.2 Ų38.210%0.09820%0.196CC..Hα-helixtrans-69.9-42.9177.7-169.467.3-163.8147.87.2112.6W41 L67 I68 L69 Y73 L74 E75 E78 L152W41-R71 HydrophobicContact CH2-CB 4.29Å; W41-R71 HydrophobicContact CH2-CG 3.87Å; W41-R71 HydrophobicContact CZ2-CG 4.03Å; L67-R71 PolarHBondContact O-N 3.05Å; L67-R71 VanDerWaalsContact O-N 3.1Å; I68-R71 PolarHBondContact O-N 2.91Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 2.98Å; R71-Y73 PolarHBondContact O-N 2.85Å; R71-L74 PolarHBondContact O-N 3.21Å; R71-L74 VanDerWaalsContact O-N 3.16Å; R71-E75 HydrophobicContact CG-CG 4.31Å; R71-E75 IonicContact CZ-OE1 3.65Å; R71-E75 IonicContact NE-OE1 3.81Å; R71-E75 PolarHBondContact NE-OE1 3.16Å; R71-E75 IonicContact NH2-OE1 2.73Å; R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.39Å; R71-E78 IonicContact NH1-OE1 3.98Å; R71-E78 PolarHBondContact NH1-OE1 3Å; R71-E78 IonicContact NH1-OE2 3.73Å; R71-E78 IonicContact NH2-OE1 3.37Å; R71-E78 IonicContact NH2-OE2 3.9Å; R71-E78 PolarHBondContact NH2-OE2 3.01Å; R71-L152 HydrophobicContact CB-CD2 3.75Å; R71-L152 HydrophobicContact CG-CD2 3.98Å
72K92.4Very high89.3Confident40 Ų4038.6 Ų38.617%0.17420%0.203CC..Hα-helixtrans-53.6-43.8172.9178.9-178.2177.2-170.70111.2W41 M45 I68 L69 L76 V88 E92W41-K72 HydrophobicContact CB-CB 4.41Å; W41-K72 HydrophobicContact CB-CD 3.95Å; W41-K72 HydrophobicContact CB-CG 4.34Å; W41-K72 HydrophobicContact CD2-CB 4.25Å; W41-K72 HydrophobicContact CG-CB 3.86Å; W41-K72 HydrophobicContact CG-CD 4.15Å; W41-K72 HydrophobicContact CG-CG 3.99Å; M45-K72 HydrophobicContact CE-CD 4.36Å; I68-K72 PolarHBondContact O-N 2.89Å; L69-K72 HydrophobicContact CD2-CD 4.24Å; L69-K72 PolarHBondContact O-N 2.93Å; K72-L76 HydrophobicContact CG-CD1 4.19Å; K72-L76 WeakPolarHBondContact O-CB 3.4Å; K72-L76 VanDerWaalsContact O-CG 3.28Å; K72-L76 WeakPolarHBondContact O-CG 3.47Å; K72-L76 PolarHBondContact O-N 3.39Å; K72-L76 VanDerWaalsContact O-N 3.09Å; K72-V88 HydrophobicContact CD-CG1 4.22Å; K72-V88 HydrophobicContact CD-CG2 4.11Å; K72-V88 HydrophobicContact CG-CG1 4.43Å; K72-V88 HydrophobicContact CG-CG2 4.34Å; K72-E92 VanDerWaalsContact NZ-CD 3.29Å; K72-E92 IonicContact NZ-OE1 2.66Å; K72-E92 PolarHBondContact NZ-OE1 3.33Å; K72-E92 IonicContact NZ-OE2 3.44Å; K72-E92 PolarHBondContact NZ-OE2 3.37Å
73Y90.2Very high89.1Confident0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-61.9-51175.4171.5-96.5000112.3L69 E70 R71 E75 L76 Y77 A85 L89 L93 L106 V110L69-Y73 VanDerWaalsContact O-CB 3.31Å; L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 PolarHBondContact O-N 3.26Å; E70-Y73 WeakPolarHBondContact O-CB 3.18Å; E70-Y73 PolarHBondContact O-N 2.96Å; R71-Y73 PolarHBondContact O-N 2.85Å; Y73-E75 PolarHBondContact O-N 3.36Å; Y73-L76 PolarHBondContact O-N 2.79Å; Y73-Y77 WeakPolarHBondContact O-CB 3.19Å; Y73-Y77 PolarHBondContact O-N 3.23Å; Y73-A85 HydrophobicContact CD2-CB 3.81Å; Y73-A85 WeakPolarHBondContact CD2-O 3.26Å; Y73-A85 HydrophobicContact CE2-CB 3.82Å; Y73-A85 WeakPolarHBondContact CE2-O 3.39Å; Y73-L89 HydrophobicContact CD2-CB 4.06Å; Y73-L89 HydrophobicContact CE2-CB 3.91Å; Y73-L89 HydrophobicContact CE2-CD2 4.3Å; Y73-L93 HydrophobicContact CG-CD1 4.33Å; Y73-L106 HydrophobicContact CD1-CD2 3.84Å; Y73-L106 HydrophobicContact CE1-CB 3.97Å; Y73-L106 HydrophobicContact CE1-CD2 3.75Å; Y73-L106 HydrophobicContact CE1-CG 4.35Å; Y73-L106 PolarHBondContact OH-O 3.41Å; Y73-V110 HydrophobicContact CE2-CG2 4.34Å; Y73-V110 WeakPolarHBondContact OH-CG2 3.27Å
74L89.2Confident89Confident33 Ų3342.7 Ų42.717%0.17323%0.228CC..Hα-helixtrans-63-39.8-179.5-70.3172.2000112E70 R71 Y77 E78 L106E70-L74 HydrophobicContact CG-CD1 4.18Å; E70-L74 VanDerWaalsContact O-CG 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.44Å; E70-L74 PolarHBondContact O-N 3.26Å; R71-L74 PolarHBondContact O-N 3.21Å; R71-L74 VanDerWaalsContact O-N 3.16Å; L74-Y77 PolarHBondContact O-N 3.26Å; L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 VanDerWaalsContact O-CG 3.24Å; L74-E78 WeakPolarHBondContact O-CG 3.33Å; L74-E78 PolarHBondContact O-N 3.44Å; L74-L106 HydrophobicContact CD2-CD2 4.17Å
75E88.5Confident88.7Confident24 Ų2442.7 Ų42.711%0.11223%0.228CC..Hα-helixtrans-67.5-40.9177.4-73.1-170.4-17200112.3W41 R71 Y73 Y77 E78 S79 R149W41-E75 WeakPolarHBondContact CZ2-OE2 3.31Å; R71-E75 HydrophobicContact CG-CG 4.31Å; R71-E75 IonicContact CZ-OE1 3.65Å; R71-E75 IonicContact NE-OE1 3.81Å; R71-E75 PolarHBondContact NE-OE1 3.16Å; R71-E75 IonicContact NH2-OE1 2.73Å; R71-E75 WeakPolarHBondContact O-CG 3.41Å; R71-E75 PolarHBondContact O-N 3.39Å; Y73-E75 PolarHBondContact O-N 3.36Å; E75-Y77 VanDerWaalsContact C-N 3.29Å; E75-Y77 PolarHBondContact O-N 2.94Å; E75-E78 PolarHBondContact O-N 2.93Å; E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-OG 3.18Å; E75-R149 IonicContact OE1-CZ 3.15Å; E75-R149 IonicContact OE1-NE 3.87Å; E75-R149 PolarHBondContact OE1-NE 3.3Å; E75-R149 IonicContact OE1-NH2 2.8Å; E75-R149 IonicContact OE2-CZ 3.62Å; E75-R149 IonicContact OE2-NE 2.77Å; E75-R149 IonicContact OE2-NH2 3.95Å; E75-R149 PolarHBondContact OE2-NH2 3.26Å
76L87.8Confident88.5Confident27 Ų2742.7 Ų42.714%0.14123%0.233CC..Hα-helixtrans-65-35.4174.1-73170.1000111.9K72 Y73 S79 G80 R81 D84 A85 V88K72-L76 HydrophobicContact CG-CD1 4.19Å; K72-L76 WeakPolarHBondContact O-CB 3.4Å; K72-L76 VanDerWaalsContact O-CG 3.28Å; K72-L76 WeakPolarHBondContact O-CG 3.47Å; K72-L76 PolarHBondContact O-N 3.39Å; K72-L76 VanDerWaalsContact O-N 3.09Å; Y73-L76 PolarHBondContact O-N 2.79Å; L76-S79 PolarHBondContact O-OG 2.96Å; L76-S79 VanDerWaalsContact O-OG 3.07Å; L76-G80 PolarHBondContact O-N 3.28Å; L76-R81 HydrophobicContact CD2-CB 4.3Å; L76-R81 CarbonylContact O-C 3.46Å; L76-R81 WeakPolarHBondContact O-CA 3.23Å; L76-R81 WeakPolarHBondContact O-CB 3.39Å; L76-R81 PolarHBondContact O-N 3.11Å; L76-D84 HydrophobicContact CD1-CB 4.19Å; L76-D84 HydrophobicContact CD2-CB 4.29Å; L76-A85 HydrophobicContact CB-CB 3.93Å; L76-V88 HydrophobicContact CD1-CG2 3.78Å
77Y84.3Confident88.4Confident71 Ų7147 Ų4728%0.27825%0.254SS..Hα-helixtrans-68.5-48.2175-177.5-97.1000111.6Y73 L74 E75 S79 G80 L109 V110Y73-Y77 WeakPolarHBondContact O-CB 3.19Å; Y73-Y77 PolarHBondContact O-N 3.23Å; L74-Y77 PolarHBondContact O-N 3.26Å; E75-Y77 VanDerWaalsContact C-N 3.29Å; E75-Y77 PolarHBondContact O-N 2.94Å; Y77-S79 VanDerWaalsContact C-N 3.26Å; Y77-S79 PolarHBondContact O-N 2.92Å; Y77-G80 PolarHBondContact O-N 2.86Å; Y77-L109 PolarHBondContact OH-O 2.91Å; Y77-V110 HydrophobicContact CD2-CG2 3.85Å; Y77-V110 HydrophobicContact CE2-CG2 3.91Å
78E83.7Confident88.2Confident100 Ų10047 Ų4747%0.46726%0.255SS..Hα-helixtrans-59.2-34.9175.1-74.6167.1-165.200111.7R71 L74 E75 G80R71-E78 IonicContact NH1-OE1 3.98Å; R71-E78 PolarHBondContact NH1-OE1 3Å; R71-E78 IonicContact NH1-OE2 3.73Å; R71-E78 IonicContact NH2-OE1 3.37Å; R71-E78 IonicContact NH2-OE2 3.9Å; R71-E78 PolarHBondContact NH2-OE2 3.01Å; L74-E78 WeakPolarHBondContact O-CB 3.42Å; L74-E78 VanDerWaalsContact O-CG 3.24Å; L74-E78 WeakPolarHBondContact O-CG 3.33Å; L74-E78 PolarHBondContact O-N 3.44Å; E75-E78 PolarHBondContact O-N 2.93Å; E78-G80 PolarHBondContact O-N 2.7Å
79S84.5Confident88Confident61 Ų6147.6 Ų47.643%0.42726%0.258SS..THydrogen-bonded Turntrans-78.63.117680.60000114.3E75 L76 Y77 R81E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-OG 3.18Å; L76-S79 PolarHBondContact O-OG 2.96Å; L76-S79 VanDerWaalsContact O-OG 3.07Å; Y77-S79 VanDerWaalsContact C-N 3.26Å; Y77-S79 PolarHBondContact O-N 2.92Å; S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 3.45Å
80G81Confident87.8Confident66 Ų6656.4 Ų56.468%0.6829%0.29SS*.THydrogen-bonded Turntrans76.19.5-178.800000115.3L76 Y77 E78 A82L76-G80 PolarHBondContact O-N 3.28Å; Y77-G80 PolarHBondContact O-N 2.86Å; E78-G80 PolarHBondContact O-N 2.7Å; G80-A82 VanDerWaalsContact C-N 3.31Å; G80-A82 PolarHBondContact O-N 2.77Å; G80-A82 VanDerWaalsContact O-N 3.16Å
81R85.3Confident87.7Confident138 Ų13862.5 Ų62.552%0.52132%0.317SS..  trans-90.861.3180-65.9177.264177.40.9110.9L76 S79 V83 D84 A85L76-R81 HydrophobicContact CD2-CB 4.3Å; L76-R81 CarbonylContact O-C 3.46Å; L76-R81 WeakPolarHBondContact O-CA 3.23Å; L76-R81 WeakPolarHBondContact O-CB 3.39Å; L76-R81 PolarHBondContact O-N 3.11Å; S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 3.45Å; R81-V83 VanDerWaalsContact C-N 3.32Å; R81-V83 PolarHBondContact O-N 2.93Å; R81-D84 HydrophobicContact CB-CB 4.29Å; R81-D84 IonicContact CZ-OD2 2.69Å; R81-D84 IonicContact NE-OD2 2.7Å; R81-D84 PolarHBondContact NE-OD2 3.47Å; R81-D84 IonicContact NH2-OD2 2.85Å; R81-D84 PolarHBondContact NH2-OD2 3.27Å; R81-D84 PolarHBondContact O-N 3.17Å; R81-A85 PolarHBondContact O-N 3.38Å
82A82.6Confident87.7Confident35 Ų3564.4 Ų64.429%0.28933%0.327SS..Hα-helixtrans-59.9-35.8-172.800000114.2G80 A85 L86G80-A82 VanDerWaalsContact C-N 3.31Å; G80-A82 PolarHBondContact O-N 2.77Å; G80-A82 VanDerWaalsContact O-N 3.16Å; A82-A85 PolarHBondContact O-N 2.96Å; A82-L86 WeakPolarHBondContact O-CB 3.42Å; A82-L86 WeakPolarHBondContact O-CG 3.37Å; A82-L86 PolarHBondContact O-N 3.46Å
83V86.9Confident87.5Confident114 Ų11462.5 Ų62.569%0.69132%0.319SS*.Hα-helixtrans-65.8-42.6178.7-179.20000111.2R81 L86 M87R81-V83 VanDerWaalsContact C-N 3.32Å; R81-V83 PolarHBondContact O-N 2.93Å; V83-L86 PolarHBondContact O-N 3.37Å; V83-M87 PolarHBondContact O-N 3.36Å
84D88.4Confident87.5Confident56 Ų5667.8 Ų67.830%0.29934%0.344SS..Hα-helixtrans-69.4-39.7178.3-61.8-39.5000111L76 R81 M87 V88L76-D84 HydrophobicContact CD1-CB 4.19Å; L76-D84 HydrophobicContact CD2-CB 4.29Å; R81-D84 HydrophobicContact CB-CB 4.29Å; R81-D84 IonicContact CZ-OD2 2.69Å; R81-D84 IonicContact NE-OD2 2.7Å; R81-D84 PolarHBondContact NE-OD2 3.47Å; R81-D84 IonicContact NH2-OD2 2.85Å; R81-D84 PolarHBondContact NH2-OD2 3.27Å; R81-D84 PolarHBondContact O-N 3.17Å; D84-M87 WeakPolarHBondContact O-CB 3.43Å; D84-M87 PolarHBondContact O-N 3.22Å; D84-M87 VanDerWaalsContact O-N 3.14Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.1Å
85A86.9Confident87.5Confident0 Ų070.1 Ų70.10%036%0.362CS..Hα-helixtrans-59-47.9173.300000111.2Y73 L76 R81 A82 M87 V88 L89Y73-A85 HydrophobicContact CD2-CB 3.81Å; Y73-A85 WeakPolarHBondContact CD2-O 3.26Å; Y73-A85 HydrophobicContact CE2-CB 3.82Å; Y73-A85 WeakPolarHBondContact CE2-O 3.39Å; L76-A85 HydrophobicContact CB-CB 3.93Å; R81-A85 PolarHBondContact O-N 3.38Å; A82-A85 PolarHBondContact O-N 2.96Å; A85-M87 PolarHBondContact O-N 2.9Å; A85-V88 PolarHBondContact O-N 3.2Å; A85-L89 PolarHBondContact O-N 3.01Å
86L88.7Confident87.4Confident77 Ų7770.9 Ų70.940%0.40337%0.366SS..Hα-helixtrans-59.2-36.1174.5-80.6171.4000112.7A82 V83 L89 R90 V110A82-L86 WeakPolarHBondContact O-CB 3.42Å; A82-L86 WeakPolarHBondContact O-CG 3.37Å; A82-L86 PolarHBondContact O-N 3.46Å; V83-L86 PolarHBondContact O-N 3.37Å; L86-L89 PolarHBondContact O-N 2.86Å; L86-R90 WeakPolarHBondContact O-CB 3.2Å; L86-R90 PolarHBondContact O-N 2.84Å; L86-V110 HydrophobicContact CD1-CG1 3.87Å; L86-V110 HydrophobicContact CD2-CB 4.15Å; L86-V110 HydrophobicContact CD2-CG1 3.69Å; L86-V110 HydrophobicContact CD2-CG2 4.33Å; L86-V110 HydrophobicContact CG-CG1 3.82Å; L86-V110 HydrophobicContact CG-CG2 4.44Å
87M90.4Very high87.2Confident93 Ų9380 Ų8046%0.45840%0.399SS..Hα-helixtrans-66.3-43.1177-168.1169.6173.500111.5V83 D84 A85 R90 K91V83-M87 PolarHBondContact O-N 3.36Å; D84-M87 WeakPolarHBondContact O-CB 3.43Å; D84-M87 PolarHBondContact O-N 3.22Å; D84-M87 VanDerWaalsContact O-N 3.14Å; A85-M87 PolarHBondContact O-N 2.9Å; M87-R90 PolarHBondContact O-N 3.14Å; M87-K91 HydrophobicContact CE-CD 3.91Å; M87-K91 VanDerWaalsContact CE-NZ 3.33Å; M87-K91 HydrophobicContact CG-CD 3.99Å; M87-K91 HydrophobicContact CG-CG 4.33Å; M87-K91 VanDerWaalsContact O-CB 3.26Å; M87-K91 WeakPolarHBondContact O-CB 3.38Å; M87-K91 PolarHBondContact O-N 3.17Å
88V90.1Very high87.3Confident7 Ų780 Ų804%0.04240%0.399CS..Hα-helixtrans-62.2-44.6173174.30000110.8L69 K72 L76 D84 A85 R90 E92 L93L69-V88 HydrophobicContact CD2-CG1 4.23Å; K72-V88 HydrophobicContact CD-CG1 4.22Å; K72-V88 HydrophobicContact CD-CG2 4.11Å; K72-V88 HydrophobicContact CG-CG1 4.43Å; K72-V88 HydrophobicContact CG-CG2 4.34Å; L76-V88 HydrophobicContact CD1-CG2 3.78Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.1Å; A85-V88 PolarHBondContact O-N 3.2Å; V88-R90 PolarHBondContact O-N 3.04Å; V88-E92 HydrophobicContact CG1-CB 4.33Å; V88-E92 WeakPolarHBondContact O-CA 3.27Å; V88-E92 WeakPolarHBondContact O-CB 3.37Å; V88-E92 PolarHBondContact O-N 3.28Å; V88-L93 HydrophobicContact CG1-CD1 4.3Å; V88-L93 PolarHBondContact O-N 2.93Å
89L89Confident87.3Confident12 Ų1278.6 Ų78.66%0.06340%0.395CS..Iπ-helixtrans-57.4-50177.8-175.366000111.2Y73 A85 L86 L93 M94 L103 L106 A107Y73-L89 HydrophobicContact CD2-CB 4.06Å; Y73-L89 HydrophobicContact CE2-CB 3.91Å; Y73-L89 HydrophobicContact CE2-CD2 4.3Å; A85-L89 PolarHBondContact O-N 3.01Å; L86-L89 PolarHBondContact O-N 2.86Å; L89-L93 HydrophobicContact CD1-CB 4.17Å; L89-L93 HydrophobicContact CD1-CD1 3.97Å; L89-M94 WeakPolarHBondContact O-CB 3.31Å; L89-M94 VanDerWaalsContact O-CG 3.26Å; L89-M94 WeakPolarHBondContact O-CG 3.46Å; L89-M94 PolarHBondContact O-N 3.21Å; L89-L103 HydrophobicContact CD1-CD2 4.21Å; L89-L106 HydrophobicContact CD1-CB 4.2Å; L89-A107 HydrophobicContact CD2-CB 4.11Å
90R89Confident87.4Confident194 Ų19483.1 Ų83.173%0.73241%0.407SS*.Iπ-helixtrans-75.2-41.4-174.8-173.1177.2178.2-178.80.6113.5L86 M87 V88 M94L86-R90 WeakPolarHBondContact O-CB 3.2Å; L86-R90 PolarHBondContact O-N 2.84Å; M87-R90 PolarHBondContact O-N 3.14Å; V88-R90 PolarHBondContact O-N 3.04Å; R90-M94 HydrophobicContact CB-SD 4.49Å; R90-M94 HydrophobicContact CG-SD 4.49Å
91K91.4Very high87.7Confident138 Ų13887 Ų8760%0.641%0.407SS*.Iπ-helixtrans-92.4-29.7-172.7-67.1-165.8176.2-167.30113.9M87 P95M87-K91 HydrophobicContact CE-CD 3.91Å; M87-K91 VanDerWaalsContact CE-NZ 3.33Å; M87-K91 HydrophobicContact CG-CD 3.99Å; M87-K91 HydrophobicContact CG-CG 4.33Å; M87-K91 VanDerWaalsContact O-CB 3.26Å; M87-K91 WeakPolarHBondContact O-CB 3.38Å; M87-K91 PolarHBondContact O-N 3.17Å; K91-P95 WeakPolarHBondContact O-CG 3.43Å
92E90.7Very high87.9Confident67 Ų6784.1 Ų84.131%0.31340%0.396SS..Iπ-helixtrans-114.9-46.8-170.3-58.2175.4-155.300111.8L69 K72 V88L69-E92 HydrophobicContact CD1-CB 3.88Å; L69-E92 HydrophobicContact CD2-CB 3.74Å; L69-E92 HydrophobicContact CD2-CG 4.43Å; L69-E92 WeakPolarHBondContact CD2-OE2 3.31Å; L69-E92 HydrophobicContact CG-CB 4.46Å; K72-E92 VanDerWaalsContact NZ-CD 3.29Å; K72-E92 IonicContact NZ-OE1 2.66Å; K72-E92 PolarHBondContact NZ-OE1 3.33Å; K72-E92 IonicContact NZ-OE2 3.44Å; K72-E92 PolarHBondContact NZ-OE2 3.37Å; V88-E92 HydrophobicContact CG1-CB 4.33Å; V88-E92 WeakPolarHBondContact O-CA 3.27Å; V88-E92 WeakPolarHBondContact O-CB 3.37Å; V88-E92 PolarHBondContact O-N 3.28Å
93L89Confident88.1Confident0 Ų083.5 Ų83.50%039%0.388CS..Iπ-helixtrans-77.1-52-177.8-85157.2000113.8F66 L69 Y73 V88 L89 P95 L96 L103 L106F66-L93 HydrophobicContact CD2-CD2 3.7Å; F66-L93 HydrophobicContact CE2-CD2 3.81Å; F66-L93 HydrophobicContact CG-CD2 4.29Å; F66-L93 HydrophobicContact CZ-CD2 4.44Å; L69-L93 HydrophobicContact CB-CD1 4.38Å; L69-L93 HydrophobicContact CB-CD2 3.71Å; L69-L93 HydrophobicContact CB-CG 3.74Å; Y73-L93 HydrophobicContact CG-CD1 4.33Å; V88-L93 HydrophobicContact CG1-CD1 4.3Å; V88-L93 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CB 4.17Å; L89-L93 HydrophobicContact CD1-CD1 3.97Å; L93-P95 VanDerWaalsContact C-CD 3.46Å; L93-L96 WeakPolarHBondContact O-CB 3.48Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-L96 VanDerWaalsContact O-N 3.11Å; L93-L103 HydrophobicContact CB-CD2 4Å; L93-L103 HydrophobicContact CD2-CD2 4.47Å; L93-L106 HydrophobicContact CD1-CD1 4.48Å
94M89.2Confident88.1Confident110 Ų11084.7 Ų84.754%0.54239%0.386SS..G310 helixtrans-56.1-39.3-177.2-78176.668.100114.2L89 R90 L96 R97L89-M94 WeakPolarHBondContact O-CB 3.31Å; L89-M94 VanDerWaalsContact O-CG 3.26Å; L89-M94 WeakPolarHBondContact O-CG 3.46Å; L89-M94 PolarHBondContact O-N 3.21Å; R90-M94 HydrophobicContact CB-SD 4.49Å; R90-M94 HydrophobicContact CG-SD 4.49Å; M94-L96 PolarHBondContact O-N 3.38Å; M94-R97 PolarHBondContact O-N 3.33Å
95P89.8Confident88Confident82 Ų8286.7 Ų86.753%0.53239%0.393SS..G310 helixtrans-63.4-24177.7-26.237.2000114.8K91 L93 R97K91-P95 WeakPolarHBondContact O-CG 3.43Å; L93-P95 VanDerWaalsContact C-CD 3.46Å; P95-R97 PolarHBondContact O-N 2.89Å
96L86.2Confident87.9Confident41 Ų4186.7 Ų86.722%0.21539%0.393CS..G310 helixtrans-66.4-22.4179.2-62.4-179.6000112.6V62 R65 F66 L69 L93 M94 Y98V62-L96 HydrophobicContact CG1-CB 4.18Å; V62-L96 HydrophobicContact CG1-CD2 4.22Å; R65-L96 HydrophobicContact CB-CD1 4.16Å; F66-L96 HydrophobicContact CB-CD1 3.93Å; F66-L96 HydrophobicContact CD2-CD1 4.35Å; L69-L96 HydrophobicContact CD1-CD1 3.8Å; L93-L96 WeakPolarHBondContact O-CB 3.48Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-L96 VanDerWaalsContact O-N 3.11Å; M94-L96 PolarHBondContact O-N 3.38Å; L96-Y98 PolarHBondContact O-N 2.89Å
97R84.2Confident87.7Confident217 Ų21785 Ų8582%0.81939%0.39SS*.  trans48.326.3-177.8-60.5-173.5-178.5-144.60.6113.9M94 P95M94-R97 PolarHBondContact O-N 3.33Å; P95-R97 PolarHBondContact O-N 2.89Å
98Y85.6Confident87.2Confident72 Ų7287.5 Ų87.528%0.28240%0.395SS..  trans-97139.3177.6-179.2-103.4000109.7E63 F66 L96 L103E63-Y98 HydrophobicContact CB-CE1 4.25Å; E63-Y98 HydrophobicContact CB-CE2 4.39Å; E63-Y98 VanDerWaalsContact CD-OH 3.3Å; E63-Y98 HydrophobicContact CG-CD2 4.13Å; E63-Y98 HydrophobicContact CG-CE1 4.18Å; E63-Y98 HydrophobicContact CG-CE2 3.47Å; E63-Y98 VanDerWaalsContact CG-CE2 3.47Å; E63-Y98 VanDerWaalsContact CG-CZ 3.47Å; F66-Y98 HydrophobicContact CB-CD1 3.68Å; F66-Y98 HydrophobicContact CB-CE1 4.29Å; F66-Y98 HydrophobicContact CB-CG 4.48Å; F66-Y98 AromaticContact CD1-CD1 3.77Å; F66-Y98 HydrophobicContact CD1-CD1 3.77Å; F66-Y98 HydrophobicContact CD1-CE1 4.02Å; F66-Y98 AromaticContact CD2-CD1 3.77Å; F66-Y98 HydrophobicContact CD2-CD1 3.77Å; F66-Y98 HydrophobicContact CD2-CG 4.48Å; F66-Y98 HydrophobicContact CE1-CD1 4.33Å; F66-Y98 HydrophobicContact CE2-CD1 4.3Å; F66-Y98 WeakPolarHBondContact CE2-O 3.49Å; F66-Y98 AromaticContact CG-CD1 3.46Å; F66-Y98 HydrophobicContact CG-CD1 3.46Å; F66-Y98 VanDerWaalsContact CG-CD1 3.46Å; F66-Y98 HydrophobicContact CG-CE1 4.13Å; F66-Y98 HydrophobicContact CG-CG 4.45Å; L96-Y98 PolarHBondContact O-N 2.89Å; Y98-L103 WeakPolarHBondContact O-CD1 3.34Å
99N85Confident86.6Confident71 Ų7189.9 Ų89.938%0.3841%0.407SS..  trans4677.1177.7-164.4-18.6000114.6F66 E101 R102 L103F66-N99 HydrophobicContact CZ-CB 4.28Å; N99-E101 VanDerWaalsContact C-N 3.3Å; N99-E101 PolarHBondContact O-N 3.36Å; N99-R102 HydrophobicContact CB-CB 4.17Å; N99-R102 VanDerWaalsContact CG-CB 3.43Å; N99-R102 PolarHBondContact O-N 3.48Å; N99-R102 WeakPolarHBondContact OD1-CB 2.97Å; N99-R102 PolarHBondContact OD1-N 2.9Å; N99-L103 PolarHBondContact O-N 3.21Å; N99-L103 VanDerWaalsContact O-N 3.1Å
100K86.3Confident85.9Confident156 Ų15689.5 Ų89.568%0.67841%0.405SS*.Hα-helixtrans-60.6-36.7-177.5-67.4-179.2-177.6173.90113.2L103 Q104K100-L103 PolarHBondContact O-N 3.44Å; K100-Q104 WeakPolarHBondContact O-CG 3.35Å; K100-Q104 PolarHBondContact O-N 2.83Å; K100-Q104 VanDerWaalsContact O-N 3.07Å
101E87.6Confident85Confident146 Ų14684 Ų8468%0.68239%0.393SS*.Hα-helixtrans-61.9-50.4178.4-69.6162.5-160.700110.1N99 L103 Q104 E105N99-E101 VanDerWaalsContact C-N 3.3Å; N99-E101 PolarHBondContact O-N 3.36Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.34Å; E101-Q104 WeakPolarHBondContact O-CB 3.46Å; E101-Q104 PolarHBondContact O-N 2.76Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; E101-E105 PolarHBondContact O-N 3.49Å
102R88.2Confident83.6Confident78 Ų7883.8 Ų83.829%0.29439%0.392SS..Hα-helixtrans-62.7-37.8177.8-170.756.7170.7177.51.6112.7F66 E70 N99 Q104 E105 L106F66-R102 HydrophobicContact CE1-CG 4.1Å; F66-R102 HydrophobicContact CZ-CB 4.12Å; F66-R102 HydrophobicContact CZ-CG 3.96Å; E70-R102 IonicContact OE1-CZ 3.55Å; E70-R102 VanDerWaalsContact OE1-CZ 3.24Å; E70-R102 IonicContact OE1-NE 2.73Å; E70-R102 PolarHBondContact OE1-NE 3.34Å; E70-R102 IonicContact OE1-NH2 3.7Å; E70-R102 PolarHBondContact OE1-NH2 2.85Å; N99-R102 HydrophobicContact CB-CB 4.17Å; N99-R102 VanDerWaalsContact CG-CB 3.43Å; N99-R102 PolarHBondContact O-N 3.48Å; N99-R102 WeakPolarHBondContact OD1-CB 2.97Å; N99-R102 PolarHBondContact OD1-N 2.9Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 2.79Å; R102-E105 WeakPolarHBondContact CD-OE2 3.5Å; R102-E105 IonicContact CZ-OE2 3.82Å; R102-E105 IonicContact NE-OE2 3.9Å; R102-E105 IonicContact NH1-OE2 3.18Å; R102-E105 PolarHBondContact NH1-OE2 3.41Å; R102-E105 WeakPolarHBondContact O-CB 3.48Å; R102-E105 PolarHBondContact O-N 2.84Å; R102-L106 HydrophobicContact CG-CD1 4.47Å; R102-L106 VanDerWaalsContact O-CG 3.3Å; R102-L106 WeakPolarHBondContact O-CG 3.48Å; R102-L106 PolarHBondContact O-N 2.94Å
103L88.4Confident82.1Confident23 Ų2383.3 Ų83.312%0.1240%0.397CS..Hα-helixtrans-61.8-37.9174.4-74.8171.3000112.6F66 L89 L93 Y98 N99 K100 E101 L106 A107F66-L103 HydrophobicContact CE2-CD2 3.8Å; F66-L103 HydrophobicContact CE2-CG 3.91Å; F66-L103 HydrophobicContact CZ-CD2 4.45Å; F66-L103 HydrophobicContact CZ-CG 4.43Å; L89-L103 HydrophobicContact CD1-CD2 4.21Å; L93-L103 HydrophobicContact CB-CD2 4Å; L93-L103 HydrophobicContact CD2-CD2 4.47Å; Y98-L103 WeakPolarHBondContact O-CD1 3.34Å; N99-L103 PolarHBondContact O-N 3.21Å; N99-L103 VanDerWaalsContact O-N 3.1Å; K100-L103 PolarHBondContact O-N 3.44Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.34Å; L103-L106 PolarHBondContact O-N 2.94Å; L103-A107 WeakPolarHBondContact O-CB 3.42Å; L103-A107 PolarHBondContact O-N 3.16Å
104Q86.2Confident80.2Confident139 Ų13988.1 Ų88.165%0.6543%0.426SS*.Hα-helixtrans-66-42.1175.4-71.6173.1-3.600111.3K100 E101 R102 A107 W108K100-Q104 WeakPolarHBondContact O-CG 3.35Å; K100-Q104 PolarHBondContact O-N 2.83Å; K100-Q104 VanDerWaalsContact O-N 3.07Å; E101-Q104 WeakPolarHBondContact O-CB 3.46Å; E101-Q104 PolarHBondContact O-N 2.76Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 2.79Å; Q104-A107 PolarHBondContact O-N 3.44Å; Q104-W108 VanDerWaalsContact O-CB 3.3Å; Q104-W108 WeakPolarHBondContact O-CB 3.21Å; Q104-W108 PolarHBondContact O-N 3.32Å
105E86Confident77.7Confident97 Ų9787.9 Ų87.945%0.45343%0.427SS..Hα-helixtrans-60.4-45.3174.4-66.6176.2174.900112E101 R102 W108 L109E101-E105 PolarHBondContact O-N 3.49Å; R102-E105 WeakPolarHBondContact CD-OE2 3.5Å; R102-E105 IonicContact CZ-OE2 3.82Å; R102-E105 IonicContact NE-OE2 3.9Å; R102-E105 IonicContact NH1-OE2 3.18Å; R102-E105 PolarHBondContact NH1-OE2 3.41Å; R102-E105 WeakPolarHBondContact O-CB 3.48Å; R102-E105 PolarHBondContact O-N 2.84Å; E105-W108 PolarHBondContact O-N 2.87Å; E105-L109 PolarHBondContact O-N 2.92Å
106L84.7Confident75.3Confident0 Ų089.7 Ų89.70%044%0.438CS..Hα-helixtrans-63.4-43.9177.6-67175.1000111.6E70 Y73 L74 L89 L93 R102 L103 W108 L109E70-L106 HydrophobicContact CG-CD1 4.22Å; E70-L106 HydrophobicContact CG-CD2 4.49Å; Y73-L106 HydrophobicContact CD1-CD2 3.84Å; Y73-L106 HydrophobicContact CE1-CB 3.97Å; Y73-L106 HydrophobicContact CE1-CD2 3.75Å; Y73-L106 HydrophobicContact CE1-CG 4.35Å; Y73-L106 PolarHBondContact OH-O 3.41Å; L74-L106 HydrophobicContact CD2-CD2 4.17Å; L89-L106 HydrophobicContact CD1-CB 4.2Å; L93-L106 HydrophobicContact CD1-CD1 4.48Å; R102-L106 HydrophobicContact CG-CD1 4.47Å; R102-L106 VanDerWaalsContact O-CG 3.3Å; R102-L106 WeakPolarHBondContact O-CG 3.48Å; R102-L106 PolarHBondContact O-N 2.94Å; L103-L106 PolarHBondContact O-N 2.94Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 3.21Å; L106-L109 HydrophobicContact CD2-CD1 4.22Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.97Å
107A85Confident72.9Confident41 Ų4195.5 Ų95.534%0.33946%0.462SS..Hα-helixtrans-62.4-41175.400000111.7L89 L103 Q104 L109 V110 T111L89-A107 HydrophobicContact CD2-CB 4.11Å; L103-A107 WeakPolarHBondContact O-CB 3.42Å; L103-A107 PolarHBondContact O-N 3.16Å; Q104-A107 PolarHBondContact O-N 3.44Å; A107-L109 VanDerWaalsContact C-N 3.35Å; A107-L109 PolarHBondContact O-N 3.26Å; A107-V110 PolarHBondContact O-N 2.91Å; A107-T111 PolarHBondContact O-N 3.38Å
108W79.7Confident70.6Confident147 Ų14789.8 Ų89.856%0.55745%0.453SS*.Hα-helixtrans-62.2-40178.4-179.883000112.3Q104 E105 L106 V110 T111 K112Q104-W108 VanDerWaalsContact O-CB 3.3Å; Q104-W108 WeakPolarHBondContact O-CB 3.21Å; Q104-W108 PolarHBondContact O-N 3.32Å; E105-W108 PolarHBondContact O-N 2.87Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 3.21Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 2.92Å; W108-T111 WeakPolarHBondContact CA-OG1 3.28Å; W108-T111 PolarHBondContact O-N 2.93Å; W108-T111 VanDerWaalsContact O-N 3.09Å; W108-T111 PolarHBondContact O-OG1 3.35Å; W108-K112 HydrophobicContact CH2-CD 3.68Å; W108-K112 HydrophobicContact CZ2-CD 3.99Å; W108-K112 HydrophobicContact CZ3-CD 4.13Å; W108-K112 PolarHBondContact O-N 3.47Å
109L77.4Confident68.7Low56 Ų5689.4 Ų89.429%0.29346%0.46SS..Hα-helixtrans-52.4-44.1177.5-83.1158000112.9Y77 E105 L106 A107Y77-L109 PolarHBondContact OH-O 2.91Å; E105-L109 PolarHBondContact O-N 2.92Å; L106-L109 HydrophobicContact CD2-CD1 4.22Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.97Å; A107-L109 VanDerWaalsContact C-N 3.35Å; A107-L109 PolarHBondContact O-N 3.26Å
110V73.8Confident66.1Low5 Ų590.8 Ų90.83%0.0347%0.474CS..Hα-helixtrans-72.9-38.4177.9169.50000112.2Y73 Y77 L86 A107 W108 K112 S113 T114Y73-V110 HydrophobicContact CE2-CG2 4.34Å; Y73-V110 WeakPolarHBondContact OH-CG2 3.27Å; Y77-V110 HydrophobicContact CD2-CG2 3.85Å; Y77-V110 HydrophobicContact CE2-CG2 3.91Å; L86-V110 HydrophobicContact CD1-CG1 3.87Å; L86-V110 HydrophobicContact CD2-CB 4.15Å; L86-V110 HydrophobicContact CD2-CG1 3.69Å; L86-V110 HydrophobicContact CD2-CG2 4.33Å; L86-V110 HydrophobicContact CG-CG1 3.82Å; L86-V110 HydrophobicContact CG-CG2 4.44Å; A107-V110 PolarHBondContact O-N 2.91Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 2.92Å; V110-K112 PolarHBondContact O-N 3.28Å; V110-S113 PolarHBondContact O-N 3.42Å; V110-S113 PolarHBondContact O-OG 3.41Å; V110-T114 PolarHBondContact O-N 3.34Å; V110-T114 PolarHBondContact O-OG1 2.91Å
111T70Confident63.5Low78 Ų7889.9 Ų89.948%0.47948%0.482SS..Hα-helixtrans-61.4-34.5178.161.90000112.5A107 W108 S113 T114 L115A107-T111 PolarHBondContact O-N 3.38Å; W108-T111 WeakPolarHBondContact CA-OG1 3.28Å; W108-T111 PolarHBondContact O-N 2.93Å; W108-T111 VanDerWaalsContact O-N 3.09Å; W108-T111 PolarHBondContact O-OG1 3.35Å; T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 2.95Å; T111-T114 PolarHBondContact O-N 2.91Å; T111-L115 PolarHBondContact O-N 3.35Å
112K63.1Low61Low133 Ų13389.2 Ų89.258%0.57849%0.488SS*.Hα-helixtrans-63.6-31.3174.7-163.3178-176.7179.10112.7W108 V110W108-K112 HydrophobicContact CH2-CD 3.68Å; W108-K112 HydrophobicContact CZ2-CD 3.99Å; W108-K112 HydrophobicContact CZ3-CD 4.13Å; W108-K112 PolarHBondContact O-N 3.47Å; V110-K112 PolarHBondContact O-N 3.28Å
113S57.9Low58.1Low58 Ų5895 Ų9541%0.40652%0.515SS..Hα-helixtrans-80.3-25.5178.574.20000114.2V110 T111V110-S113 PolarHBondContact O-N 3.42Å; V110-S113 PolarHBondContact O-OG 3.41Å; T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 2.95Å
114T49.4Very low55.5Low101 Ų10198.9 Ų98.962%0.6254%0.541SS*.Hα-helixtrans-92.2-13.6-172.9-51.40000113.1V110 T111V110-T114 PolarHBondContact O-N 3.34Å; V110-T114 PolarHBondContact O-OG1 2.91Å; T111-T114 PolarHBondContact O-N 2.91Å
115L37.7Very low52.8Low105 Ų105102 Ų10255%0.5555%0.553SS.*SBendtrans-69125.3175.3-75.3170.3000110.5T111 F117T111-L115 PolarHBondContact O-N 3.35Å; L115-F117 HydrophobicContact CB-CD2 4.3Å; L115-F117 PolarHBondContact O-N 3Å
116P40Very low50.2Low119 Ų119102.6 Ų102.677%0.77357%0.568SS**  trans-80.635.9-175.334.7-35.5000112.6
117F34.5Very low47.7Very low163 Ų163110.3 Ų110.372%0.71561%0.608SS**  trans-87.8117.9170.1-71-73.7000108.8L115 C119L115-F117 HydrophobicContact CB-CD2 4.3Å; L115-F117 PolarHBondContact O-N 3Å; F117-C119 PolarHBondContact O-N 3.09Å
118P37.1Very low45.4Very low98 Ų98116.6 Ų116.664%0.63664%0.635SS**  trans-61.6128.5179.924.3-29.5000109.9C120P118-C120 PolarHBondContact O-N 3.23Å
119C43.9Very low43.2Very low63 Ų63117.7 Ų117.743%0.42665%0.649SS.*SBendtrans-36.629.2-177.463.80000121.8F117 C131F117-C119 PolarHBondContact O-N 3.09Å; C119-C131 WeakPolarHBondContact CB-SG 3.38Å
120C31Very low41.1Very low100 Ų100121.6 Ų121.668%0.67667%0.67SS**  trans-141.675.3179.5-480000109.6P118P118-C120 PolarHBondContact O-N 3.23Å
121T32.7Very low39.3Very low137 Ų137124.2 Ų124.284%0.8469%0.688SS**SBendtrans171.8140.8144.531.90000110.7
122V33.6Very low38.2Very low133 Ų133125.7 Ų125.781%0.80670%0.697SS**  trans85.887.1171-157.50000116.8
123K28.8Very low37Very low200 Ų200127.3 Ų127.387%0.8770%0.699SS**  trans-53.9139.7149-62.9176.7176.7178.30108.9
124P34.3Very low35.9Very low104 Ų104129.1 Ų129.168%0.67571%0.711SS**  -141.1159.399.834.3-18.8000113.6
125F29.3Very low35.1Very low205 Ų205128.9 Ų128.990%0.89971%0.709SS**SBendtrans74.6110.6179-95.7-98.4000117.5
126S30Very low34.8Very low109 Ų109126.6 Ų126.676%0.76271%0.71SS**SBendtrans-44.2147.1171-173.60000112.6
127L33.2Very low34.4Very low162 Ų162128 Ų12885%0.84872%0.717SS**  trans95.966.6-173.8-56.2167.8000115.4
128L36.7Very low34.7Very low172 Ų172125.3 Ų125.390%0.90171%0.714SS**  -172.9136116-138.367.1000110.2
129M33.7Very low35Very low170 Ų170128.6 Ų128.684%0.83772%0.723SS**  trans-49140.4169.4-78.8176.913600112.3
130D31.8Very low35.2Very low139 Ų139128.8 Ų128.874%0.74372%0.723SS**SBendtrans33.5116.7148.9-57.8-24.1000118.5T132D130-T132 PolarHBondContact O-N 2.78Å
131C38Very low36.9Very low59 Ų59128 Ų12840%0.39971%0.713SS.*  trans-43.7101.3170.9-178.30000112.4C119 R133 C134C119-C131 WeakPolarHBondContact CB-SG 3.38Å; C131-R133 PolarHBondContact O-N 3.42Å; C131-C134 PolarHBondContact O-SG 3.42Å; C131-C134 VanDerWaalsContact SG-SG 3.65Å
132T46.4Very low38.2Very low109 Ų109129.9 Ų129.967%0.66970%0.704SS**THydrogen-bonded Turntrans-75.54.2179.431.70000114.4D130D130-T132 PolarHBondContact O-N 2.78Å
133R37.9Very low40Very low168 Ų168129.1 Ų129.163%0.63469%0.692SS**THydrogen-bonded Turntrans-82.3-22.4173.3-162.3170.663.4178.3-0.2112.8C131C131-R133 PolarHBondContact O-N 3.42Å
134C33.4Very low42.4Very low96 Ų96123.7 Ų123.765%0.64968%0.676SS**SBendtrans-93.6-3.9176.527.10000114.3C131C131-C134 PolarHBondContact O-SG 3.42Å; C131-C134 VanDerWaalsContact SG-SG 3.65Å
135V32.5Very low44.7Very low96 Ų96120.3 Ų120.358%0.58265%0.651SS**SBendtrans-130.1111.6172.1-176.50000107.9
136G31.5Very low47.2Very low56 Ų56113 Ų11358%0.57762%0.624SS**  trans-54.3144.3-171.900000113.7T138G136-T138 VanDerWaalsContact C-N 3.3Å; G136-T138 PolarHBondContact O-N 2.95Å
137T33.2Very low49.7Very low150 Ų150111.4 Ų111.492%0.9261%0.613SS**  trans22.664151.330.70000114.7M139T137-M139 PolarHBondContact O-N 3.3Å
138T40.7Very low52.2Low105 Ų105104.9 Ų104.964%0.64458%0.582SS**  trans-73.3114.5155.538.80000105.5G136G136-T138 VanDerWaalsContact C-N 3.3Å; G136-T138 PolarHBondContact O-N 2.95Å
139M42.1Very low54.8Low168 Ų16898.8 Ų98.883%0.82855%0.547SS*.  trans-42.2140.5170.9-71.9-74-177.300109.2T137 N141T137-M139 PolarHBondContact O-N 3.3Å; M139-N141 PolarHBondContact O-N 2.99Å; M139-N141 VanDerWaalsContact O-N 3.07Å
140P49.6Very low57.3Low66 Ų6694.3 Ų94.343%0.42953%0.527SS..  trans-49.9123.6174.4-21.529.9000108.8W142 I145P140-W142 PolarHBondContact O-N 3.14Å; P140-I145 HydrophobicContact CB-CD1 3.49Å; P140-I145 VanDerWaalsContact CB-CD1 3.49Å; P140-I145 HydrophobicContact CB-CG1 4.35Å; P140-I145 HydrophobicContact CG-CD1 4.41Å
141N66.2Low60Low85 Ų8590 Ų9046%0.45551%0.51SS..  trans-60.1109177-178.612.3000107.6M139 E143 T144 I145M139-N141 PolarHBondContact O-N 2.99Å; M139-N141 VanDerWaalsContact O-N 3.07Å; N141-E143 PolarHBondContact O-N 3.42Å; N141-E143 VanDerWaalsContact O-N 3.13Å; N141-E143 PolarHBondContact OD1-N 3.41Å; N141-T144 WeakPolarHBondContact CB-OG1 3.47Å; N141-T144 PolarHBondContact ND2-OG1 3.3Å; N141-T144 WeakPolarHBondContact O-CB 3.4Å; N141-T144 PolarHBondContact O-N 3.35Å; N141-I145 PolarHBondContact O-N 3.1Å
142W59.2Low62.5Low175 Ų17587.6 Ų87.666%0.66349%0.493SS*.Hα-helixtrans-60.4-27.2-172.382.2-83.7000111.5P140 I145 T146P140-W142 PolarHBondContact O-N 3.14Å; W142-I145 PolarHBondContact O-N 2.9Å; W142-T146 VanDerWaalsContact CE3-OG1 3.29Å; W142-T146 HydrophobicContact CZ3-CG2 4.46Å; W142-T146 WeakPolarHBondContact CZ3-OG1 3.48Å; W142-T146 WeakPolarHBondContact O-CB 3.45Å; W142-T146 PolarHBondContact O-N 3.46Å; W142-T146 PolarHBondContact O-OG1 3.28Å
143E72Confident64.5Low118 Ų11882.7 Ų82.755%0.55146%0.463SS*.Hα-helixtrans-63.8-41.6173.6-64.2-178.416700111.6N141 T146 S147N141-E143 PolarHBondContact O-N 3.42Å; N141-E143 VanDerWaalsContact O-N 3.13Å; N141-E143 PolarHBondContact OD1-N 3.41Å; E143-T146 PolarHBondContact O-N 3.2Å; E143-S147 VanDerWaalsContact O-CB 3.28Å; E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 2.74Å
144T78.8Confident66.8Low85 Ų8577.7 Ų77.752%0.52145%0.449SS..Hα-helixtrans-65.9-41.6177.9-450000111N141 A148N141-T144 WeakPolarHBondContact CB-OG1 3.47Å; N141-T144 PolarHBondContact ND2-OG1 3.3Å; N141-T144 WeakPolarHBondContact O-CB 3.4Å; N141-T144 PolarHBondContact O-N 3.35Å; T144-A148 VanDerWaalsContact O-CB 3.31Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.97Å
145I82.5Confident69.4Low33 Ų3379 Ų7917%0.16944%0.44CS..Hα-helixtrans-63.3-48.4175.9-66.1176.4000110.2P140 N141 W142 S147 A148 R149P140-I145 HydrophobicContact CB-CD1 3.49Å; P140-I145 VanDerWaalsContact CB-CD1 3.49Å; P140-I145 HydrophobicContact CB-CG1 4.35Å; P140-I145 HydrophobicContact CG-CD1 4.41Å; N141-I145 PolarHBondContact O-N 3.1Å; W142-I145 PolarHBondContact O-N 2.9Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 2.93Å; I145-A148 PolarHBondContact O-N 3.03Å; I145-R149 HydrophobicContact CG2-CG 4.35Å; I145-R149 VanDerWaalsContact CG2-NE 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.45Å; I145-R149 PolarHBondContact O-N 3.16Å
146T81.7Confident72.1Confident51 Ų5174.4 Ų74.431%0.31341%0.412SS..Hα-helixtrans-62.5-43.3-178.5-53.80000111.1W142 E143 R149 N150W142-T146 VanDerWaalsContact CE3-OG1 3.29Å; W142-T146 HydrophobicContact CZ3-CG2 4.46Å; W142-T146 WeakPolarHBondContact CZ3-OG1 3.48Å; W142-T146 WeakPolarHBondContact O-CB 3.45Å; W142-T146 PolarHBondContact O-N 3.46Å; W142-T146 PolarHBondContact O-OG1 3.28Å; E143-T146 PolarHBondContact O-N 3.2Å; T146-R149 PolarHBondContact O-N 3.46Å; T146-N150 WeakPolarHBondContact O-CB 3.41Å; T146-N150 VanDerWaalsContact O-CG 3.3Å; T146-N150 PolarHBondContact O-N 3.35Å; T146-N150 PolarHBondContact O-ND2 3.09Å; T146-N150 VanDerWaalsContact O-ND2 3.16Å
147S83.5Confident74.8Confident77 Ų7773.1 Ų73.154%0.53839%0.391SS..Hα-helixtrans-60.7-44.4174.3-1750000112.1E143 I145 R149 N150 A151E143-S147 VanDerWaalsContact O-CB 3.28Å; E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 2.74Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 2.93Å; S147-R149 PolarHBondContact O-N 2.94Å; S147-N150 PolarHBondContact O-N 3.31Å; S147-A151 WeakPolarHBondContact O-CB 3.29Å; S147-A151 PolarHBondContact O-N 3.07Å
148A85.9Confident77.3Confident25 Ų2574 Ų7421%0.20738%0.382CS..Hα-helixtrans-66.1-37.1178.100000112.9T144 I145 A151 L152T144-A148 VanDerWaalsContact O-CB 3.31Å; T144-A148 WeakPolarHBondContact O-CB 3.4Å; T144-A148 PolarHBondContact O-N 2.97Å; I145-A148 PolarHBondContact O-N 3.03Å; A148-A151 PolarHBondContact O-N 3.41Å; A148-L152 PolarHBondContact O-N 3.46Å
149R90.9Very high79.5Confident43 Ų4371.6 Ų71.616%0.16236%0.362CS..Hα-helixtrans-68.4-39.7174.6-70.4178.5-175.8-179.6-3.6112L37 T38 W41 E75 I145 T146 S147 L152 M153L37-R149 HydrophobicContact CD2-CB 4.38Å; L37-R149 WeakPolarHBondContact O-CD 3.27Å; L37-R149 PolarHBondContact O-NH1 3.18Å; T38-R149 PolarHBondContact O-NH1 3.26Å; W41-R149 HydrophobicContact CH2-CG 4.42Å; E75-R149 IonicContact OE1-CZ 3.15Å; E75-R149 IonicContact OE1-NE 3.87Å; E75-R149 PolarHBondContact OE1-NE 3.3Å; E75-R149 IonicContact OE1-NH2 2.8Å; E75-R149 IonicContact OE2-CZ 3.62Å; E75-R149 IonicContact OE2-NE 2.77Å; E75-R149 IonicContact OE2-NH2 3.95Å; E75-R149 PolarHBondContact OE2-NH2 3.26Å; I145-R149 HydrophobicContact CG2-CG 4.35Å; I145-R149 VanDerWaalsContact CG2-NE 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.45Å; I145-R149 PolarHBondContact O-N 3.16Å; T146-R149 PolarHBondContact O-N 3.46Å; S147-R149 PolarHBondContact O-N 2.94Å; R149-L152 PolarHBondContact O-N 3.31Å; R149-M153 PolarHBondContact O-N 2.8Å
150N86.5Confident81.7Confident76 Ų7664.1 Ų64.141%0.40633%0.325SS..Hα-helixtrans-60.8-44.8171.2-73.6-34.3000111.2L37 T146 S147 L152 M153 D154L37-N150 WeakPolarHBondContact CD2-OD1 3.27Å; T146-N150 WeakPolarHBondContact O-CB 3.41Å; T146-N150 VanDerWaalsContact O-CG 3.3Å; T146-N150 PolarHBondContact O-N 3.35Å; T146-N150 PolarHBondContact O-ND2 3.09Å; T146-N150 VanDerWaalsContact O-ND2 3.16Å; S147-N150 PolarHBondContact O-N 3.31Å; N150-L152 PolarHBondContact O-N 2.86Å; N150-M153 PolarHBondContact O-N 2.77Å; N150-D154 PolarHBondContact O-N 3.24Å
151A86.8Confident83.3Confident48 Ų4863.3 Ų63.340%0.39732%0.32SS..Hα-helixtrans-64.9-36176.800000113.1S147 A148 D154 R155S147-A151 WeakPolarHBondContact O-CB 3.29Å; S147-A151 PolarHBondContact O-N 3.07Å; A148-A151 PolarHBondContact O-N 3.41Å; A151-D154 WeakPolarHBondContact O-CB 3.48Å; A151-D154 PolarHBondContact O-N 3.42Å; A151-R155 WeakPolarHBondContact O-CG 3.46Å; A151-R155 PolarHBondContact O-N 2.85Å; A151-R155 VanDerWaalsContact O-N 3.17Å
152L91.1Very high83.9Confident9 Ų962.1 Ų62.15%0.04732%0.322CS..Hα-helixtrans-62.1-49171.4171.664.7000110.5V36 W41 L67 R71 A148 R149 N150 D154 R155 L156V36-L152 HydrophobicContact CG1-CD2 3.97Å; V36-L152 HydrophobicContact CG1-CG 4.36Å; W41-L152 HydrophobicContact CH2-CD2 3.89Å; W41-L152 HydrophobicContact CZ3-CD2 3.75Å; L67-L152 HydrophobicContact CB-CD1 3.8Å; R71-L152 HydrophobicContact CB-CD2 3.75Å; R71-L152 HydrophobicContact CG-CD2 3.98Å; A148-L152 PolarHBondContact O-N 3.46Å; R149-L152 PolarHBondContact O-N 3.31Å; N150-L152 PolarHBondContact O-N 2.86Å; L152-D154 PolarHBondContact O-N 3.49Å; L152-R155 WeakPolarHBondContact O-CB 3.48Å; L152-R155 PolarHBondContact O-N 3.31Å; L152-L156 HydrophobicContact CD1-CD1 3.97Å; L152-L156 HydrophobicContact CD1-CG 4.03Å; L152-L156 HydrophobicContact CD2-CD1 4.32Å; L152-L156 HydrophobicContact CG-CD1 3.79Å; L152-L156 HydrophobicContact CG-CG 4.28Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.43Å
153M89.3Confident84.8Confident7 Ų758 Ų583%0.03432%0.32CS..Hα-helixtrans-60-37.5177.6-165.161-113.200110.9F32 R33 V36 R149 N150 R155 L156 Q157 I165F32-M153 HydrophobicContact CE1-CE 4.17Å; R33-M153 HydrophobicContact CB-SD 4.28Å; R33-M153 HydrophobicContact CG-CG 4.15Å; R33-M153 HydrophobicContact CG-SD 4.1Å; V36-M153 HydrophobicContact CB-SD 4.28Å; V36-M153 HydrophobicContact CG1-CB 4.43Å; V36-M153 HydrophobicContact CG1-SD 4.15Å; R149-M153 PolarHBondContact O-N 2.8Å; N150-M153 PolarHBondContact O-N 2.77Å; M153-R155 PolarHBondContact O-N 2.9Å; M153-L156 HydrophobicContact CE-CB 3.88Å; M153-L156 PolarHBondContact O-N 3.26Å; M153-Q157 HydrophobicContact CE-CB 4.04Å; M153-Q157 WeakPolarHBondContact O-CB 3.49Å; M153-Q157 WeakPolarHBondContact O-CG 3.35Å; M153-Q157 PolarHBondContact O-N 2.89Å; M153-I165 HydrophobicContact CE-CD1 3.75Å
154D85.3Confident85.4Confident62 Ų6252.6 Ų52.633%0.33230%0.295SS..Hα-helixtrans-61.6-31.2175.5-82.2-30.2000114N150 A151 L152 Q157 P168N150-D154 PolarHBondContact O-N 3.24Å; A151-D154 WeakPolarHBondContact O-CB 3.48Å; A151-D154 PolarHBondContact O-N 3.42Å; L152-D154 PolarHBondContact O-N 3.49Å; D154-Q157 VanDerWaalsContact CA-NE2 3.26Å; D154-Q157 WeakPolarHBondContact O-CG 3.46Å; D154-Q157 PolarHBondContact O-NE2 2.84Å; D154-Q157 PolarHBondContact OD1-NE2 3.47Å; D154-P168 WeakPolarHBondContact OD1-CG 3.4Å
155R88.5Confident85.5Confident123 Ų12348.7 Ų48.746%0.46427%0.271SS..Hα-helixtrans-80.3-43.3174-67171.373-170.24.7111.4L67 E70 A151 L152 M153 K158 Y159L67-R155 HydrophobicContact CD1-CB 4.2Å; E70-R155 IonicContact OE2-NH1 2.82Å; A151-R155 WeakPolarHBondContact O-CG 3.46Å; A151-R155 PolarHBondContact O-N 2.85Å; A151-R155 VanDerWaalsContact O-N 3.17Å; L152-R155 WeakPolarHBondContact O-CB 3.48Å; L152-R155 PolarHBondContact O-N 3.31Å; M153-R155 PolarHBondContact O-N 2.9Å; R155-K158 WeakPolarHBondContact O-CB 3.39Å; R155-K158 PolarHBondContact O-N 3.3Å; R155-Y159 WeakPolarHBondContact O-CE2 3.2Å
156L89.7Confident85.3Confident0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-64.9-41.3-177.5-72.6172.7000112.6F32 V36 M64 L67 I68 L152 M153 K158 Y159F32-L156 HydrophobicContact CE1-CD1 4.35Å; F32-L156 HydrophobicContact CZ-CD1 4.03Å; V36-L156 HydrophobicContact CG1-CD1 4.34Å; V36-L156 HydrophobicContact CG2-CD1 4.21Å; M64-L156 HydrophobicContact CB-CD2 3.71Å; M64-L156 HydrophobicContact CE-CB 4.26Å; M64-L156 HydrophobicContact CE-CD2 4.07Å; M64-L156 HydrophobicContact CG-CD2 3.82Å; L67-L156 HydrophobicContact CB-CD2 4.1Å; L67-L156 HydrophobicContact CD1-CD2 4.15Å; I68-L156 HydrophobicContact CD1-CD1 4.32Å; I68-L156 HydrophobicContact CG1-CD1 3.85Å; I68-L156 HydrophobicContact CG1-CD2 4.19Å; L152-L156 HydrophobicContact CD1-CD1 3.97Å; L152-L156 HydrophobicContact CD1-CG 4.03Å; L152-L156 HydrophobicContact CD2-CD1 4.32Å; L152-L156 HydrophobicContact CG-CD1 3.79Å; L152-L156 HydrophobicContact CG-CG 4.28Å; L152-L156 WeakPolarHBondContact O-CG 3.26Å; L152-L156 PolarHBondContact O-N 3.43Å; M153-L156 HydrophobicContact CE-CB 3.88Å; M153-L156 PolarHBondContact O-N 3.26Å; L156-K158 PolarHBondContact O-N 3.07Å; L156-Y159 WeakPolarHBondContact O-CD2 3.42Å; L156-Y159 PolarHBondContact O-N 2.94Å; L156-Y159 VanDerWaalsContact O-N 3.17Å
157Q86.7Confident85Confident29 Ų2947.9 Ų47.914%0.13627%0.267CS..G310 helixtrans-63.4-22.3-179.873.6-160.82.500113.6M153 D154 Y159 L160 I165 P168M153-Q157 HydrophobicContact CE-CB 4.04Å; M153-Q157 WeakPolarHBondContact O-CB 3.49Å; M153-Q157 WeakPolarHBondContact O-CG 3.35Å; M153-Q157 PolarHBondContact O-N 2.89Å; D154-Q157 VanDerWaalsContact CA-NE2 3.26Å; D154-Q157 WeakPolarHBondContact O-CG 3.46Å; D154-Q157 PolarHBondContact O-NE2 2.84Å; D154-Q157 PolarHBondContact OD1-NE2 3.47Å; Q157-Y159 PolarHBondContact O-N 2.89Å; Q157-L160 PolarHBondContact O-N 3.41Å; Q157-L160 VanDerWaalsContact O-N 3.07Å; Q157-I165 HydrophobicContact CB-CG2 4.16Å; Q157-P168 VanDerWaalsContact NE2-CG 3.26Å
158K85.5Confident84.4Confident169 Ų16946.8 Ų46.874%0.73526%0.259SS*.G310 helixtrans-62.4-22.9177.6-65.2-179.6-178-177.40112.3R155 L156R155-K158 WeakPolarHBondContact O-CB 3.39Å; R155-K158 PolarHBondContact O-N 3.3Å; L156-K158 PolarHBondContact O-N 3.07Å
159Y88.1Confident83.8Confident55 Ų5554 Ų5422%0.21628%0.281CS..G310 helixtrans-89.5-15.6178-57.6-74.5000113.4H60 E63 M64 L67 R155 L156 Q157H60-Y159 HydrophobicContact CB-CD1 3.71Å; H60-Y159 HydrophobicContact CB-CE1 4.36Å; H60-Y159 HydrophobicContact CB-CG 4.32Å; H60-Y159 AromaticContact CD2-CD1 3.99Å; H60-Y159 AromaticContact CG-CD1 3.57Å; H60-Y159 AromaticContact ND1-CD1 3.71Å; E63-Y159 WeakPolarHBondContact OE2-CE1 3.47Å; E63-Y159 PolarHBondContact OE2-OH 3.35Å; E63-Y159 VanDerWaalsContact OE2-OH 3.14Å; M64-Y159 HydrophobicContact CG-CD2 3.55Å; M64-Y159 HydrophobicContact CG-CE2 4.23Å; M64-Y159 HydrophobicContact CG-CG 3.89Å; M64-Y159 HydrophobicContact SD-CD2 4.26Å; M64-Y159 HydrophobicContact SD-CG 4.18Å; L67-Y159 HydrophobicContact CD1-CE2 3.89Å; R155-Y159 WeakPolarHBondContact O-CE2 3.2Å; L156-Y159 WeakPolarHBondContact O-CD2 3.42Å; L156-Y159 PolarHBondContact O-N 2.94Å; L156-Y159 VanDerWaalsContact O-N 3.17Å; Q157-Y159 PolarHBondContact O-N 2.89Å
160L87.2Confident83.3Confident11 Ų1156.4 Ų56.46%0.05829%0.29CS..SBendtrans-99.5137.7-178.8-68.6170.1000110.1F32 L51 V55 M64 Q157 I165F32-L160 HydrophobicContact CE1-CD1 4.45Å; L51-L160 HydrophobicContact CB-CD2 4.4Å; L51-L160 HydrophobicContact CD1-CD1 4.33Å; V55-L160 HydrophobicContact CG2-CD2 3.98Å; M64-L160 HydrophobicContact CE-CD1 4.09Å; M64-L160 HydrophobicContact CE-CD2 4.44Å; M64-L160 HydrophobicContact CE-CG 4.03Å; Q157-L160 PolarHBondContact O-N 3.41Å; Q157-L160 VanDerWaalsContact O-N 3.07Å; L160-I165 HydrophobicContact CB-CG2 3.55Å; L160-I165 HydrophobicContact CD1-CG2 3.93Å; L160-I165 HydrophobicContact CG-CG2 4.41Å
161P83.8Confident83Confident48 Ų4855.3 Ų55.331%0.31228%0.283SS..  trans-67.6148.8178.427.9-33.7000111.1F54 S163 V164 I165F54-P161 HydrophobicContact CB-CG 4.45Å; F54-P161 VanDerWaalsContact O-CD 3.24Å; F54-P161 WeakPolarHBondContact O-CD 3.48Å; P161-S163 PolarHBondContact O-N 2.93Å; P161-V164 HydrophobicContact CG-CB 4.16Å; P161-V164 HydrophobicContact CG-CG2 3.78Å; P161-V164 PolarHBondContact O-N 3.13Å; P161-I165 PolarHBondContact O-N 2.94Å
162A78.8Confident82.7Confident60 Ų6057.3 Ų57.350%0.49629%0.285SS..THydrogen-bonded Turntrans-62.7-14.4-179.800000114.2V164 I165 P167A162-V164 VanDerWaalsContact C-N 3.3Å; A162-I165 WeakPolarHBondContact CA-O 3.41Å; A162-P167 HydrophobicContact CB-CG 4.47Å
163S79.2Confident82.2Confident89 Ų8958.8 Ų58.862%0.62230%0.298SS*.THydrogen-bonded Turntrans-72-23.8171.452.50000113.1P161P161-S163 PolarHBondContact O-N 2.93Å
164V83.2Confident82.1Confident5 Ų562 Ų623%0.0332%0.315CS..THydrogen-bonded Turntrans-99.7-46.9-175.7171.90000110.8N26 A29 L51 F54 P161 A162N26-V164 HydrophobicContact CB-CG1 4.11Å; N26-V164 PolarHBondContact N-O 2.61Å; N26-V164 VanDerWaalsContact N-O 3.16Å; A29-V164 HydrophobicContact CB-CG1 3.65Å; A29-V164 WeakPolarHBondContact CB-O 3.37Å; L51-V164 HydrophobicContact CD2-CG1 3.97Å; F54-V164 HydrophobicContact CB-CG2 3.88Å; F54-V164 HydrophobicContact CD1-CG2 3.48Å; F54-V164 VanDerWaalsContact CD1-CG2 3.48Å; F54-V164 HydrophobicContact CD2-CG2 4.38Å; F54-V164 HydrophobicContact CE1-CG2 4.1Å; F54-V164 HydrophobicContact CG-CG2 3.65Å; P161-V164 HydrophobicContact CG-CB 4.16Å; P161-V164 HydrophobicContact CG-CG2 3.78Å; P161-V164 PolarHBondContact O-N 3.13Å; A162-V164 VanDerWaalsContact C-N 3.3Å
165I82.1Confident82.1Confident3 Ų361.3 Ų61.32%0.01531%0.31CS..SBendtrans-135.1132.1176.4-164.2165.6000109.8A29 R33 M153 Q157 L160 P161 A162A29-I165 HydrophobicContact CB-CB 4.3Å; R33-I165 HydrophobicContact CB-CD1 4.39Å; M153-I165 HydrophobicContact CE-CD1 3.75Å; Q157-I165 HydrophobicContact CB-CG2 4.16Å; L160-I165 HydrophobicContact CB-CG2 3.55Å; L160-I165 HydrophobicContact CD1-CG2 3.93Å; L160-I165 HydrophobicContact CG-CG2 4.41Å; P161-I165 PolarHBondContact O-N 2.94Å; A162-I165 WeakPolarHBondContact CA-O 3.41Å
166L77.3Confident81.8Confident18 Ų1860.6 Ų60.69%0.09431%0.312CS..PPolyproline II helixtrans-76.1131.3177.6-76.8169.7000110R2 F6 I24 E25R2-L166 HydrophobicContact CG-CD1 4.16Å; F6-L166 HydrophobicContact CZ-CB 4.38Å; I24-L166 HydrophobicContact CG2-CD1 3.31Å; I24-L166 HydrophobicContact CG2-CG 4.32Å; E25-L166 PolarHBondContact OE1-N 3.44Å
167P74.8Confident81.7Confident48 Ų4864.9 Ų64.931%0.31233%0.332SS..PPolyproline II helixtrans-60.2133.1169.1-20.131.2000109.7F6 A162F6-P167 WeakPolarHBondContact CE1-O 3.44Å; A162-P167 HydrophobicContact CB-CG 4.47Å
168P72.7Confident81.7Confident55 Ų5565.3 Ų65.336%0.35734%0.341SS..THydrogen-bonded Turntrans-65.6154.9175.327.2-31.8000109.7D154 Q157 R170D154-P168 WeakPolarHBondContact OD1-CG 3.4Å; Q157-P168 VanDerWaalsContact NE2-CG 3.26Å; P168-R170 PolarHBondContact O-N 2.83Å
169R72.8Confident81.6Confident177 Ų17757.6 Ų57.667%0.66831%0.307SS*.THydrogen-bonded Turntrans52.824.8179.2-52.6-179.5-171.7-169.73.9113.4L171 E172 A173R169-L171 PolarHBondContact O-N 2.81Å; R169-E172 HydrophobicContact CB-CB 4.15Å; R169-E172 WeakPolarHBondContact CD-OE2 3.49Å; R169-E172 WeakPolarHBondContact O-CB 3.31Å; R169-E172 PolarHBondContact O-N 2.92Å; R169-A173 PolarHBondContact O-N 3.38Å
170R80.4Confident81.4Confident93 Ų9358.8 Ų58.835%0.35132%0.315SS..Hα-helixtrans-58.8-37178.9-17857.6-178.6145.42.3112F6 P168 A173 L174F6-R170 HydrophobicContact CD1-CB 4.25Å; F6-R170 HydrophobicContact CE1-CB 3.38Å; F6-R170 VanDerWaalsContact CE1-N 3.28Å; F6-R170 HydrophobicContact CE2-CB 4.3Å; F6-R170 HydrophobicContact CZ-CB 3.43Å; F6-R170 VanDerWaalsContact CZ-CB 3.43Å; F6-R170 HydrophobicContact CZ-CG 4.35Å; P168-R170 PolarHBondContact O-N 2.83Å; R170-A173 PolarHBondContact O-N 3.34Å; R170-L174 HydrophobicContact CG-CD1 4.09Å; R170-L174 HydrophobicContact CG-CG 4.35Å; R170-L174 WeakPolarHBondContact O-CB 3.38Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.28Å; R170-L174 PolarHBondContact O-N 3Å
171L78.8Confident81.4Confident53 Ų5363 Ų6328%0.27734%0.337SS..Hα-helixtrans-62.9-42.5175.2-179.161.2000111.6F6 F7 R169 A173 L174 I175F6-L171 HydrophobicContact CB-CB 4.09Å; F6-L171 HydrophobicContact CD1-CB 4.48Å; F6-L171 HydrophobicContact CG-CB 4.13Å; F7-L171 HydrophobicContact CE1-CD2 4.33Å; F7-L171 HydrophobicContact CE2-CD2 4.05Å; F7-L171 HydrophobicContact CZ-CD2 3.79Å; R169-L171 PolarHBondContact O-N 2.81Å; L171-A173 PolarHBondContact O-N 3.21Å; L171-L174 PolarHBondContact O-N 3.14Å; L171-I175 HydrophobicContact CD1-CD1 4.11Å; L171-I175 HydrophobicContact CD1-CG1 4.19Å; L171-I175 HydrophobicContact CD2-CD1 4.46Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 HydrophobicContact CG-CG1 4.34Å; L171-I175 WeakPolarHBondContact O-CB 3.47Å; L171-I175 VanDerWaalsContact O-CG1 3.23Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.77Å
172E81.3Confident81.4Confident90 Ų9061.7 Ų61.742%0.42133%0.327SS..Hα-helixtrans-59.7-46.5174.1-174.1-173.4161.200110.9R169 L174 I175 H176R169-E172 HydrophobicContact CB-CB 4.15Å; R169-E172 WeakPolarHBondContact CD-OE2 3.49Å; R169-E172 WeakPolarHBondContact O-CB 3.31Å; R169-E172 PolarHBondContact O-N 2.92Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 2.75Å; E172-I175 PolarHBondContact O-N 3.02Å; E172-H176 PolarHBondContact O-N 3.12Å; E172-H176 IonicContact OE1-CE1 3.53Å
173A81.2Confident81.6Confident39 Ų3959 Ų5932%0.32230%0.304SS..Hα-helixtrans-61-39.6175.100000112.6R169 R170 L171 Q177R169-A173 PolarHBondContact O-N 3.38Å; R170-A173 PolarHBondContact O-N 3.34Å; L171-A173 PolarHBondContact O-N 3.21Å; A173-Q177 WeakPolarHBondContact O-CB 3.31Å; A173-Q177 WeakPolarHBondContact O-CG 3.47Å; A173-Q177 PolarHBondContact O-N 2.94Å
174L86.7Confident81.8Confident74 Ų7459 Ų5939%0.38729%0.292SS..Hα-helixtrans-69.2-37.8176.1-75.1172.1000112.3R170 L171 E172 Q177 A178R170-L174 HydrophobicContact CG-CD1 4.09Å; R170-L174 HydrophobicContact CG-CG 4.35Å; R170-L174 WeakPolarHBondContact O-CB 3.38Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.28Å; R170-L174 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 3.14Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 2.75Å; L174-Q177 PolarHBondContact O-N 2.67Å; L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.86Å
175I85Confident81.9Confident48 Ų4866.3 Ų66.325%0.24632%0.324CS..Hα-helixtrans-64.4-45.5174.7-73.1168000109.7L171 E172 Q177 A178 I179 L205L171-I175 HydrophobicContact CD1-CD1 4.11Å; L171-I175 HydrophobicContact CD1-CG1 4.19Å; L171-I175 HydrophobicContact CD2-CD1 4.46Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 HydrophobicContact CG-CG1 4.34Å; L171-I175 WeakPolarHBondContact O-CB 3.47Å; L171-I175 VanDerWaalsContact O-CG1 3.23Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 2.77Å; E172-I175 PolarHBondContact O-N 3.02Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.9Å; I175-A178 PolarHBondContact O-N 2.66Å; I175-I179 HydrophobicContact CG2-CD1 3.7Å; I175-I179 HydrophobicContact CG2-CG1 4.48Å; I175-I179 WeakPolarHBondContact O-CB 3.36Å; I175-I179 WeakPolarHBondContact O-CD1 3.35Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.49Å; I175-I179 PolarHBondContact O-N 3.41Å; I175-L205 HydrophobicContact CB-CD1 4.49Å; I175-L205 HydrophobicContact CD1-CD1 4.36Å; I175-L205 HydrophobicContact CG1-CD1 3.97Å; I175-L205 HydrophobicContact CG2-CD1 3.88Å; I175-L205 HydrophobicContact CG2-CD2 4.35Å
176H83Confident82.2Confident109 Ų10966.5 Ų66.551%0.50533%0.326SS..Hα-helixtrans-60.4-42.3174.6-71.4-179.7000111.7E172 I179 E180E172-H176 PolarHBondContact O-N 3.12Å; E172-H176 IonicContact OE1-CE1 3.53Å; H176-I179 PolarHBondContact O-N 3.28Å; H176-E180 WeakPolarHBondContact O-CB 3.48Å; H176-E180 PolarHBondContact O-N 2.75Å
177Q87.4Confident82.6Confident90 Ų9069.3 Ų69.342%0.42134%0.34SS..Hα-helixtrans-62.1-42.7174.2-74.5173-0.400112.2A173 L174 I175 E180 L181A173-Q177 WeakPolarHBondContact O-CB 3.31Å; A173-Q177 WeakPolarHBondContact O-CG 3.47Å; A173-Q177 PolarHBondContact O-N 2.94Å; L174-Q177 PolarHBondContact O-N 2.67Å; I175-Q177 VanDerWaalsContact C-N 3.33Å; I175-Q177 PolarHBondContact O-N 2.9Å; Q177-E180 PolarHBondContact O-N 2.81Å; Q177-L181 WeakPolarHBondContact O-CB 3.27Å; Q177-L181 VanDerWaalsContact O-CG 3.28Å; Q177-L181 WeakPolarHBondContact O-CG 3.39Å; Q177-L181 PolarHBondContact O-N 2.64Å
178A86.5Confident83.1Confident38 Ų3869.9 Ų69.931%0.31434%0.337SS..Hα-helixtrans-63.1-43.7177.400000111.6L174 I175 L181 Q182L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.86Å; I175-A178 PolarHBondContact O-N 2.66Å; A178-L181 PolarHBondContact O-N 3.29Å; A178-Q182 WeakPolarHBondContact O-CG 3.28Å; A178-Q182 PolarHBondContact O-N 3.4Å
179I83.3Confident83.7Confident6 Ų667.6 Ų67.63%0.03132%0.321CS..Hα-helixtrans-61.2-48.1175.8-72.9163.8000111I175 H176 L181 Q182 W183 P195 L197 L200 L205I175-I179 HydrophobicContact CG2-CD1 3.7Å; I175-I179 HydrophobicContact CG2-CG1 4.48Å; I175-I179 WeakPolarHBondContact O-CB 3.36Å; I175-I179 WeakPolarHBondContact O-CD1 3.35Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.49Å; I175-I179 PolarHBondContact O-N 3.41Å; H176-I179 PolarHBondContact O-N 3.28Å; I179-L181 VanDerWaalsContact C-N 3.3Å; I179-L181 PolarHBondContact O-N 2.95Å; I179-Q182 PolarHBondContact O-N 2.82Å; I179-W183 PolarHBondContact O-N 3.05Å; I179-P195 HydrophobicContact CG2-CB 4.39Å; I179-L197 HydrophobicContact CD1-CB 4Å; I179-L197 HydrophobicContact CD1-CD1 3.84Å; I179-L197 HydrophobicContact CD1-CG 4.1Å; I179-L200 HydrophobicContact CG2-CD1 3.81Å; I179-L205 HydrophobicContact CD1-CD2 4.36Å; I179-L205 HydrophobicContact CG1-CD2 3.83Å
180E84Confident84.3Confident81 Ų8159.7 Ų59.738%0.37929%0.292SS..Hα-helixtrans-61.5-40.4178.8-166.6-169.3156.700111.5H176 Q177 W183 K184H176-E180 WeakPolarHBondContact O-CB 3.48Å; H176-E180 PolarHBondContact O-N 2.75Å; Q177-E180 PolarHBondContact O-N 2.81Å; E180-W183 PolarHBondContact O-N 2.82Å; E180-K184 HydrophobicContact CG-CD 4.35Å; E180-K184 WeakPolarHBondContact O-CB 3.43Å; E180-K184 WeakPolarHBondContact O-CG 3.43Å; E180-K184 PolarHBondContact O-N 2.94Å; E180-K184 VanDerWaalsContact OE1-CE 3.31Å; E180-K184 WeakPolarHBondContact OE1-CE 3.31Å; E180-K184 IonicContact OE1-NZ 3.2Å; E180-K184 PolarHBondContact OE1-NZ 3.24Å
181L86.3Confident84.2Confident100 Ų10059.6 Ų59.652%0.52430%0.298SS..Hα-helixtrans-65.3-43.6175.4-76172.3000112.4Q177 A178 I179 W183 K184 K185Q177-L181 WeakPolarHBondContact O-CB 3.27Å; Q177-L181 VanDerWaalsContact O-CG 3.28Å; Q177-L181 WeakPolarHBondContact O-CG 3.39Å; Q177-L181 PolarHBondContact O-N 2.64Å; A178-L181 PolarHBondContact O-N 3.29Å; I179-L181 VanDerWaalsContact C-N 3.3Å; I179-L181 PolarHBondContact O-N 2.95Å; L181-W183 VanDerWaalsContact C-N 3.27Å; L181-W183 PolarHBondContact O-N 3.18Å; L181-K184 PolarHBondContact O-N 2.96Å; L181-K185 WeakPolarHBondContact O-CB 3.35Å; L181-K185 WeakPolarHBondContact O-CG 3.34Å; L181-K185 PolarHBondContact O-N 3.38Å
182Q85.5Confident83.8Confident19 Ų1960 Ų609%0.08931%0.309CS..Hα-helixtrans-61-39.1175.1-75.8-175.4-18.100111.3A178 I179 K185 C186 L207 D208 H209A178-Q182 WeakPolarHBondContact O-CG 3.28Å; A178-Q182 PolarHBondContact O-N 3.4Å; I179-Q182 PolarHBondContact O-N 2.82Å; Q182-K185 PolarHBondContact O-N 3.43Å; Q182-C186 WeakPolarHBondContact O-CB 3.36Å; Q182-C186 PolarHBondContact O-N 3.06Å; Q182-C186 VanDerWaalsContact O-N 3.09Å; Q182-L207 PolarHBondContact NE2-O 3.07Å; Q182-L207 VanDerWaalsContact NE2-O 3.16Å; Q182-D208 PolarHBondContact NE2-OD1 2.95Å; Q182-H209 HydrophobicContact CB-CB 3.98Å
183W81.5Confident83.1Confident4 Ų456.8 Ų56.82%0.01530%0.3CS..Hα-helixtrans-65.7-43.1175.3-81.839.2000112.7I179 E180 L181 K185 H189 E194 P195 R199 L200 R457I179-W183 PolarHBondContact O-N 3.05Å; E180-W183 PolarHBondContact O-N 2.82Å; L181-W183 VanDerWaalsContact C-N 3.27Å; L181-W183 PolarHBondContact O-N 3.18Å; W183-K185 VanDerWaalsContact C-N 3.34Å; W183-H189 AromaticContact CD2-CE1 3.92Å; W183-H189 AromaticContact CE2-CE1 3.99Å; W183-H189 AromaticContact CE3-CE1 3.95Å; W183-H189 AromaticContact CE3-NE2 3.64Å; W183-H189 AromaticContact CZ3-NE2 3.62Å; W183-E194 WeakPolarHBondContact CH2-O 3.13Å; W183-E194 VanDerWaalsContact CZ3-O 3.31Å; W183-E194 WeakPolarHBondContact CZ3-O 3.44Å; W183-P195 HydrophobicContact CD2-CB 3.91Å; W183-P195 HydrophobicContact CD2-CG 4.28Å; W183-P195 VanDerWaalsContact CE3-CA 3.41Å; W183-P195 HydrophobicContact CE3-CB 3.78Å; W183-P195 HydrophobicContact CE3-CG 3.74Å; W183-P195 HydrophobicContact CG-CB 4.45Å; W183-P195 HydrophobicContact CZ3-CB 4.14Å; W183-P195 HydrophobicContact CZ3-CG 4.18Å; W183-R199 HydrophobicContact CH2-CB 3.97Å; W183-R199 HydrophobicContact CZ2-CB 3.87Å; W183-L200 HydrophobicContact CZ2-CD1 4.23Å; W183-L200 VanDerWaalsContact NE1-CG 3.31Å; W183-R457 PolarHBondContact O-NH1 3.01Å
184K83.5Confident82.4Confident88 Ų8862.5 Ų62.538%0.38332%0.32SS..Hα-helixtrans-66.1-35.6177.9-78.5172.6167.9170.50112.3E180 L181 Q472E180-K184 HydrophobicContact CG-CD 4.35Å; E180-K184 WeakPolarHBondContact O-CB 3.43Å; E180-K184 WeakPolarHBondContact O-CG 3.43Å; E180-K184 PolarHBondContact O-N 2.94Å; E180-K184 VanDerWaalsContact OE1-CE 3.31Å; E180-K184 WeakPolarHBondContact OE1-CE 3.31Å; E180-K184 IonicContact OE1-NZ 3.2Å; E180-K184 PolarHBondContact OE1-NZ 3.24Å; L181-K184 PolarHBondContact O-N 2.96Å; K184-Q472 PolarHBondContact O-NE2 3.07Å
185K86.3Confident81.2Confident159 Ų15962 Ų6269%0.69132%0.321SS*.Hα-helixtrans-82.5-16.9-179.9-73.5-173.6174.5-172.50114.4L181 Q182 W183 L187L181-K185 WeakPolarHBondContact O-CB 3.35Å; L181-K185 WeakPolarHBondContact O-CG 3.34Å; L181-K185 PolarHBondContact O-N 3.38Å; Q182-K185 PolarHBondContact O-N 3.43Å; W183-K185 VanDerWaalsContact C-N 3.34Å; K185-L187 PolarHBondContact O-N 3.09Å
186C87Confident80.1Confident8 Ų861.6 Ų61.65%0.05432%0.323CS..  trans-69.5116.9179.6-177.50000111.1Q182 Y188 H189 C211 Q472Q182-C186 WeakPolarHBondContact O-CB 3.36Å; Q182-C186 PolarHBondContact O-N 3.06Å; Q182-C186 VanDerWaalsContact O-N 3.09Å; C186-Y188 VanDerWaalsContact C-N 3.33Å; C186-Y188 PolarHBondContact O-N 3.39Å; C186-H189 HydrophobicContact CB-CB 3.95Å; C186-C211 PolarHBondContact SG-N 3.25Å; C186-Q472 PolarHBondContact O-NE2 3.33Å
187L85.9Confident79Confident77 Ų7760.7 Ų60.740%0.40332%0.321SS..THydrogen-bonded Turntrans-64.9-31.6-172.9-65.8177.8000114.2K185 Y458 I479K185-L187 PolarHBondContact O-N 3.09Å; L187-Y458 VanDerWaalsContact O-CE1 3.23Å; L187-Y458 WeakPolarHBondContact O-CE1 3.09Å; L187-Y458 PolarHBondContact O-OH 3.04Å; L187-Y458 VanDerWaalsContact O-OH 3.07Å; L187-I479 HydrophobicContact CD2-CG2 4.3Å
188Y85.9Confident77.6Confident60 Ų6067.6 Ų67.624%0.23534%0.343CS..THydrogen-bonded Turntrans-119.120.9-172.5-54.8-63.3000112.9C186 N190 C211 D213 F216 Y218 Y458C186-Y188 VanDerWaalsContact C-N 3.33Å; C186-Y188 PolarHBondContact O-N 3.39Å; Y188-N190 VanDerWaalsContact C-N 3.35Å; Y188-N190 PolarHBondContact O-N 2.73Å; Y188-C211 WeakPolarHBondContact O-CB 3.49Å; Y188-D213 HydrophobicContact CD1-CB 4.1Å; Y188-D213 HydrophobicContact CD2-CB 3.88Å; Y188-D213 HydrophobicContact CE1-CB 4.37Å; Y188-D213 HydrophobicContact CE2-CB 4.16Å; Y188-D213 HydrophobicContact CG-CB 3.84Å; Y188-F216 HydrophobicContact CD1-CD2 4.37Å; Y188-F216 HydrophobicContact CD1-CG 4.45Å; Y188-Y218 WeakPolarHBondContact CE1-OH 3.15Å; Y188-Y458 VanDerWaalsContact C-OH 3.3Å; Y188-Y458 WeakPolarHBondContact CA-OH 3.44Å
189H84.9Confident76.4Confident7 Ų772.6 Ų72.63%0.03235%0.354CS..  trans-72.989.7175.8-164.8100.2000110.2W183 C186 H209 C211 R457 Y458W183-H189 AromaticContact CD2-CE1 3.92Å; W183-H189 AromaticContact CE2-CE1 3.99Å; W183-H189 AromaticContact CE3-CE1 3.95Å; W183-H189 AromaticContact CE3-NE2 3.64Å; W183-H189 AromaticContact CZ3-NE2 3.62Å; C186-H189 HydrophobicContact CB-CB 3.95Å; H189-H209 AromaticContact ND1-CD2 3.84Å; H189-H209 AromaticContact ND1-NE2 3.43Å; H189-H209 PolarHBondContact ND1-NE2 3.43Å; H189-C211 PolarHBondContact ND1-SG 2.96Å; H189-C211 VanDerWaalsContact ND1-SG 3.41Å; H189-R457 PolarHBondContact CD2-NH1 3.08Å; H189-Y458 VanDerWaalsContact C-OH 3.27Å; H189-Y458 PolarHBondContact N-OH 3.25Å; H189-Y458 PolarHBondContact O-OH 3.43Å
190N85.3Confident75.2Confident10 Ų1072.7 Ų72.75%0.05335%0.354CS..  trans-115.434.7-174.8-16228.8000113.1Y188 F216 G453 A454 Y458 P499Y188-N190 VanDerWaalsContact C-N 3.35Å; Y188-N190 PolarHBondContact O-N 2.73Å; N190-F216 HydrophobicContact CB-CD2 4.09Å; N190-F216 HydrophobicContact CB-CE2 4.33Å; N190-G453 WeakPolarHBondContact OD1-CA 3.09Å; N190-A454 VanDerWaalsContact C-CB 3.49Å; N190-A454 PolarHBondContact OD1-N 2.96Å; N190-Y458 HydrophobicContact CB-CE2 4.15Å; N190-P499 PolarHBondContact ND2-O 2.55Å; N190-P499 WeakPolarHBondContact OD1-CB 3.4Å
191I78.3Confident74Confident92 Ų9271.9 Ų71.947%0.47237%0.368SS..  trans-110.3136.9-179.3-58.7170.5000109.6A454I191-A454 VanDerWaalsContact O-CB 3.3Å; I191-A454 WeakPolarHBondContact O-CB 3.38Å
192A70.2Confident72.5Confident62 Ų6271.3 Ų71.351%0.51237%0.365SS..  trans-72.3135.4176.900000112.3R199A192-R199 PolarHBondContact O-NH1 3.07Å
193G68Low71.1Confident22 Ų2277 Ų7723%0.22740%0.396CS..SBendtrans144.7172.5174.700000115.3N455G193-N455 PolarHBondContact O-ND2 3.39Å; G193-N455 VanDerWaalsContact O-ND2 3.15Å
194E65.3Low70.4Confident158 Ų15878.5 Ų78.574%0.73841%0.407SS*.  trans-82.6147.2176.5-73.3179.6176.400112.6W183 S196W183-E194 WeakPolarHBondContact CH2-O 3.13Å; W183-E194 VanDerWaalsContact CZ3-O 3.31Å; W183-E194 WeakPolarHBondContact CZ3-O 3.44Å; E194-S196 PolarHBondContact O-N 3.09Å; E194-S196 PolarHBondContact O-OG 3.44Å
195P62.5Low70Confident64 Ų6478.2 Ų78.242%0.41641%0.41SS..  trans-51.7110.2168.8-20.330.9000111.2I179 W183I179-P195 HydrophobicContact CG2-CB 4.39Å; W183-P195 HydrophobicContact CD2-CB 3.91Å; W183-P195 HydrophobicContact CD2-CG 4.28Å; W183-P195 VanDerWaalsContact CE3-CA 3.41Å; W183-P195 HydrophobicContact CE3-CB 3.78Å; W183-P195 HydrophobicContact CE3-CG 3.74Å; W183-P195 HydrophobicContact CG-CB 4.45Å; W183-P195 HydrophobicContact CZ3-CB 4.14Å; W183-P195 HydrophobicContact CZ3-CG 4.18Å
196S62.6Low69.7Low40 Ų4078.2 Ų78.228%0.2842%0.416SS..  trans-140.1139.3174.352.50000109.8E194 R198 R199E194-S196 PolarHBondContact O-N 3.09Å; E194-S196 PolarHBondContact O-OG 3.44Å; S196-R198 PolarHBondContact O-N 3.47Å; S196-R199 PolarHBondContact O-N 2.96Å; S196-R199 WeakPolarHBondContact OG-CG 3.23Å
197L58Low69.4Low90 Ų9083.6 Ų83.647%0.47144%0.444SS..G310 helixtrans-54.2-38.6-179.5-164.6151.4000111.4I179 R199 L200I179-L197 HydrophobicContact CD1-CB 4Å; I179-L197 HydrophobicContact CD1-CD1 3.84Å; I179-L197 HydrophobicContact CD1-CG 4.1Å; L197-R199 PolarHBondContact O-N 3.35Å; L197-L200 PolarHBondContact O-N 2.67Å
198R59.3Low69.3Low234 Ų23486 Ų8688%0.88346%0.457SS*.G310 helixtrans-63.8-22.6177.8-69.4-172.1170.7-175.9-2.5114.8S196S196-R198 PolarHBondContact O-N 3.47Å
199R61Low69.2Low144 Ų14483.8 Ų83.854%0.54345%0.449SS..G310 helixtrans-97.3-5.9-177-73.8-168.6-161-1528.4113.9W183 A192 S196 L197 G201W183-R199 HydrophobicContact CH2-CB 3.97Å; W183-R199 HydrophobicContact CZ2-CB 3.87Å; A192-R199 PolarHBondContact O-NH1 3.07Å; S196-R199 PolarHBondContact O-N 2.96Å; S196-R199 WeakPolarHBondContact OG-CG 3.23Å; L197-R199 PolarHBondContact O-N 3.35Å; R199-G201 PolarHBondContact O-N 3.38Å; R199-G201 VanDerWaalsContact O-N 3.16Å
200L58.9Low69.1Low8 Ų888.4 Ų88.44%0.04248%0.477CS..SBendtrans-63.8-16.8177.6-98.893000113.2I179 W183 L197 N202 H209I179-L200 HydrophobicContact CG2-CD1 3.81Å; W183-L200 HydrophobicContact CZ2-CD1 4.23Å; W183-L200 VanDerWaalsContact NE1-CG 3.31Å; L197-L200 PolarHBondContact O-N 2.67Å; L200-N202 PolarHBondContact O-N 3.37Å; L200-H209 HydrophobicContact CD2-CB 3.75Å; L200-H209 HydrophobicContact CG-CB 4.4Å; L200-H209 PolarHBondContact O-CE1 3.4Å; L200-H209 PolarHBondContact O-ND1 2.73Å
201G56.9Low68.9Low64 Ų6488.6 Ų88.666%0.6648%0.48SS*.SBendtrans70.3-33.9-178.800000113.7R199R199-G201 PolarHBondContact O-N 3.38Å; R199-G201 VanDerWaalsContact O-N 3.16Å
202N55.2Low69.1Low87 Ų8788.5 Ų88.547%0.46549%0.485SS..SBendtrans-100.1105.9163.3-72.9-13000108.3L200 S204L200-N202 PolarHBondContact O-N 3.37Å; N202-S204 PolarHBondContact O-N 3.48Å
203D57.1Low69.6Low139 Ų13989.1 Ų89.174%0.74348%0.479SS*.  trans-65.423.1-178.7-67.9-43.3000114.6
204S66.5Low70.3Confident36 Ų3690.5 Ų90.525%0.25248%0.483SS..  trans-128.3126.8-171.689.20000113.1N202 L206N202-S204 PolarHBondContact O-N 3.48Å; S204-L206 PolarHBondContact O-N 3.16Å
205L75.1Confident71Confident82 Ų8286.8 Ų86.843%0.42947%0.469SS..THydrogen-bonded Turntrans-70.8-2159.9-66.6169000112.5I175 I179I175-L205 HydrophobicContact CB-CD1 4.49Å; I175-L205 HydrophobicContact CD1-CD1 4.36Å; I175-L205 HydrophobicContact CG1-CD1 3.97Å; I175-L205 HydrophobicContact CG2-CD1 3.88Å; I175-L205 HydrophobicContact CG2-CD2 4.35Å; I179-L205 HydrophobicContact CD1-CD2 4.36Å; I179-L205 HydrophobicContact CG1-CD2 3.83Å
206L80.3Confident72.4Confident158 Ų15883.8 Ų83.883%0.82745%0.449SS*.THydrogen-bonded Turntrans-79.2-25.7-173.7-62.7174.8000112.7S204S204-L206 PolarHBondContact O-N 3.16Å
207L81.1Confident73.7Confident121 Ų12181.9 Ų81.963%0.63444%0.436SS*.SBendtrans-128.9151.2-179.7-64.5174000109.3Q182Q182-L207 PolarHBondContact NE2-O 3.07Å; Q182-L207 VanDerWaalsContact NE2-O 3.16Å
208D83.1Confident75.3Confident127 Ų12780.1 Ų80.168%0.67942%0.423SS*.  trans-68.7140.2175.4-76-26.8000111.1Q182 V210Q182-D208 PolarHBondContact NE2-OD1 2.95Å; D208-V210 PolarHBondContact O-N 3.35Å
209H82.9Confident76.8Confident14 Ų1473.8 Ų73.87%0.06540%0.404CS..  trans-66.6126178.6-17758.8000111.2Q182 H189 L200 C211Q182-H209 HydrophobicContact CB-CB 3.98Å; H189-H209 AromaticContact ND1-CD2 3.84Å; H189-H209 AromaticContact ND1-NE2 3.43Å; H189-H209 PolarHBondContact ND1-NE2 3.43Å; L200-H209 HydrophobicContact CD2-CB 3.75Å; L200-H209 HydrophobicContact CG-CB 4.4Å; L200-H209 PolarHBondContact O-CE1 3.4Å; L200-H209 PolarHBondContact O-ND1 2.73Å; H209-C211 PolarHBondContact NE2-SG 2.81Å
210V82.6Confident78.5Confident104 Ų10468.8 Ų68.863%0.6339%0.389SS*.  trans-130.9118.3174.6-176.10000108.5D208D208-V210 PolarHBondContact O-N 3.35Å
211C83.1Confident80.2Confident15 Ų1570.9 Ų70.910%0.10140%0.402CS..  trans-80.7146.3169.9-80.60000109.8C186 Y188 H189 H209C186-C211 PolarHBondContact SG-N 3.25Å; Y188-C211 WeakPolarHBondContact O-CB 3.49Å; H189-C211 PolarHBondContact ND1-SG 2.96Å; H189-C211 VanDerWaalsContact ND1-SG 3.41Å; H209-C211 PolarHBondContact NE2-SG 2.81Å
212P80.7Confident82.1Confident89 Ų8969.5 Ų69.558%0.57838%0.379SS*.  trans-62.6150.216230.8-34.1000109.5T214P212-T214 HydrophobicContact CB-CG2 4.11Å; P212-T214 PolarHBondContact O-N 3.02Å
213D81.6Confident84.1Confident75 Ų7569.2 Ų69.240%0.40138%0.377SS..SBendtrans-85.29.4177.263.3-14.8000112.7Y188 D215 F216 Y218Y188-D213 HydrophobicContact CD1-CB 4.1Å; Y188-D213 HydrophobicContact CD2-CB 3.88Å; Y188-D213 HydrophobicContact CE1-CB 4.37Å; Y188-D213 HydrophobicContact CE2-CB 4.16Å; Y188-D213 HydrophobicContact CG-CB 3.84Å; D213-D215 VanDerWaalsContact C-N 3.29Å; D213-D215 PolarHBondContact O-N 3.32Å; D213-F216 WeakPolarHBondContact O-CB 3.13Å; D213-F216 PolarHBondContact O-N 3.07Å; D213-Y218 HydrophobicContact CB-CE2 3.8Å; D213-Y218 WeakPolarHBondContact CB-OH 3.47Å; D213-Y218 VanDerWaalsContact O-CE2 3.32Å; D213-Y218 WeakPolarHBondContact O-CE2 3.41Å; D213-Y218 PolarHBondContact OD2-OH 2.94Å
214T81.6Confident86Confident51 Ų5163 Ų6331%0.31334%0.343SS..THydrogen-bonded Turntrans-62.7-28.7-169.748.80000114.9P212 P516P212-T214 HydrophobicContact CB-CG2 4.11Å; P212-T214 PolarHBondContact O-N 3.02Å; T214-P516 WeakPolarHBondContact O-CB 3.43Å
215D82Confident87.5Confident80 Ų8066 Ų6643%0.42836%0.36SS..THydrogen-bonded Turntrans-99.86.5-176.7-62.2-32.7000112.7D213 S500D213-D215 VanDerWaalsContact C-N 3.29Å; D213-D215 PolarHBondContact O-N 3.32Å; D215-S500 WeakPolarHBondContact O-CA 3.2Å; D215-S500 WeakPolarHBondContact O-CB 3.23Å; D215-S500 PolarHBondContact O-OG 2.79Å; D215-S500 VanDerWaalsContact O-OG 3.09Å
216F90.1Very high88.6Confident2 Ų265.2 Ų65.21%0.00936%0.356CS..SBendtrans-87.5144.7-176.2-145.5-94.3000111.8Y188 N190 D213 Y218 Y458 V470 I479 L480 W494 P516Y188-F216 HydrophobicContact CD1-CD2 4.37Å; Y188-F216 HydrophobicContact CD1-CG 4.45Å; N190-F216 HydrophobicContact CB-CD2 4.09Å; N190-F216 HydrophobicContact CB-CE2 4.33Å; D213-F216 WeakPolarHBondContact O-CB 3.13Å; D213-F216 PolarHBondContact O-N 3.07Å; F216-Y218 HydrophobicContact CB-CD2 3.9Å; F216-Y218 HydrophobicContact CB-CE2 3.52Å; F216-Y218 HydrophobicContact CD1-CE2 4.4Å; F216-Y218 HydrophobicContact CG-CE2 4.35Å; F216-Y218 VanDerWaalsContact O-CD2 3.29Å; F216-Y218 WeakPolarHBondContact O-CD2 3.38Å; F216-Y218 PolarHBondContact O-N 3.32Å; F216-Y458 AromaticContact CE2-CD1 3.87Å; F216-Y458 HydrophobicContact CE2-CD1 3.87Å; F216-Y458 HydrophobicContact CE2-CD2 4.14Å; F216-Y458 AromaticContact CE2-CE1 3.58Å; F216-Y458 HydrophobicContact CE2-CE1 3.58Å; F216-Y458 AromaticContact CE2-CE2 3.87Å; F216-Y458 HydrophobicContact CE2-CE2 3.87Å; F216-Y458 HydrophobicContact CE2-CG 4.14Å; F216-Y458 AromaticContact CE2-CZ 3.58Å; F216-Y458 AromaticContact CZ-CD1 3.65Å; F216-Y458 HydrophobicContact CZ-CD1 3.65Å; F216-Y458 HydrophobicContact CZ-CD2 4.45Å; F216-Y458 AromaticContact CZ-CE1 3.76Å; F216-Y458 HydrophobicContact CZ-CE1 3.76Å; F216-Y458 HydrophobicContact CZ-CG 4.01Å; F216-V470 HydrophobicContact CE1-CG1 3.87Å; F216-V470 HydrophobicContact CZ-CG1 3.87Å; F216-I479 HydrophobicContact CE1-CD1 4.21Å; F216-I479 HydrophobicContact CZ-CD1 3.82Å; F216-L480 HydrophobicContact CD1-CD1 3.27Å; F216-L480 HydrophobicContact CD1-CG 4.5Å; F216-L480 HydrophobicContact CE1-CD1 3.41Å; F216-L480 VanDerWaalsContact CE1-CD1 3.41Å; F216-L480 HydrophobicContact CE1-CG 4.35Å; F216-L480 HydrophobicContact CG-CD1 4.47Å; F216-W494 HydrophobicContact CE1-CH2 4.07Å; F216-W494 HydrophobicContact CE2-CH2 4.32Å; F216-W494 AromaticContact CZ-CH2 3.73Å; F216-W494 HydrophobicContact CZ-CH2 3.73Å; F216-W494 HydrophobicContact CZ-CZ2 4.4Å; F216-P516 VanDerWaalsContact O-CA 3.23Å; F216-P516 WeakPolarHBondContact O-CA 3.44Å
217P91.5Very high89.4Confident0 Ų058.3 Ų58.30%032%0.32CS..  trans-73.285.1-178.728.3-36.1000113.3L482 W494 L502 W514 G515P217-L482 WeakPolarHBondContact O-CD2 3.14Å; P217-W494 HydrophobicContact CG-CH2 3.83Å; P217-W494 HydrophobicContact CG-CZ2 3.56Å; P217-L502 HydrophobicContact CB-CB 4.06Å; P217-L502 HydrophobicContact CG-CB 4.07Å; P217-W514 HydrophobicContact CB-CB 3.83Å; P217-W514 WeakPolarHBondContact CB-O 3.41Å; P217-G515 CarbonylContact C-O 3.52Å; P217-G515 WeakPolarHBondContact CA-O 3.48Å
218Y90Very high90.2Very high52 Ų5257.5 Ų57.520%0.20432%0.324CS..  trans-92.4-40.3-178.8-82.1-83.3000114.5Y188 D213 F216 L480 G515 V517Y188-Y218 WeakPolarHBondContact CE1-OH 3.15Å; D213-Y218 HydrophobicContact CB-CE2 3.8Å; D213-Y218 WeakPolarHBondContact CB-OH 3.47Å; D213-Y218 VanDerWaalsContact O-CE2 3.32Å; D213-Y218 WeakPolarHBondContact O-CE2 3.41Å; D213-Y218 PolarHBondContact OD2-OH 2.94Å; F216-Y218 HydrophobicContact CB-CD2 3.9Å; F216-Y218 HydrophobicContact CB-CE2 3.52Å; F216-Y218 HydrophobicContact CD1-CE2 4.4Å; F216-Y218 HydrophobicContact CG-CE2 4.35Å; F216-Y218 VanDerWaalsContact O-CD2 3.29Å; F216-Y218 WeakPolarHBondContact O-CD2 3.38Å; F216-Y218 PolarHBondContact O-N 3.32Å; Y218-L480 HydrophobicContact CD1-CD1 3.89Å; Y218-L480 HydrophobicContact CD1-CD2 3.87Å; Y218-L480 HydrophobicContact CE1-CD1 3.63Å; Y218-L480 HydrophobicContact CE1-CD2 3.16Å; Y218-L480 HydrophobicContact CE1-CG 4.07Å; Y218-L480 HydrophobicContact CE2-CD1 4.41Å; Y218-L480 HydrophobicContact CG-CD1 4.41Å; Y218-G515 PolarHBondContact N-O 2.8Å; Y218-V517 HydrophobicContact CD2-CG2 4.44Å; Y218-V517 HydrophobicContact CG-CG2 4.33Å
219E92.5Very high90.9Very high101 Ų10154.5 Ų54.547%0.47231%0.308SS..EExtended strand (participates in β ladder)trans-115.6146.9-168.5-71.8-174168.700110.8T221 W514 G515 V517E219-T221 PolarHBondContact O-N 2.92Å; E219-T221 VanDerWaalsContact O-N 3.12Å; E219-W514 CarbonylContact O-C 3.58Å; E219-W514 VanDerWaalsContact O-CA 3.27Å; E219-W514 WeakPolarHBondContact O-CA 3.46Å; E219-G515 PolarHBondContact N-O 3.15Å; E219-G515 PolarHBondContact O-N 3.26Å; E219-V517 HydrophobicContact CG-CG2 4.18Å
220T95.4Very high91.6Very high40 Ų4056.2 Ų56.225%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-68.3108.5169.8-53.30000109.2Q222 I223 R512 I513 W514T220-Q222 WeakPolarHBondContact CG2-O 3.02Å; T220-I223 HydrophobicContact CG2-CD1 4.28Å; T220-I223 HydrophobicContact CG2-CG1 3.58Å; T220-R512 HydrophobicContact CG2-CB 3.98Å; T220-R512 HydrophobicContact CG2-CG 3.86Å; T220-R512 PolarHBondContact OG1-NH1 3.5Å; T220-I513 CarbonylContact C-O 3.58Å; T220-I513 VanDerWaalsContact CA-O 3.3Å; T220-I513 WeakPolarHBondContact CA-O 3.48Å; T220-W514 WeakPolarHBondContact OG1-CH2 3.03Å; T220-W514 WeakPolarHBondContact OG1-CZ3 3.37Å
221T94.3Very high92.3Very high51 Ų5151.3 Ų51.331%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-85.1-28.7179.155.40000112.4E219 I513E219-T221 PolarHBondContact O-N 2.92Å; E219-T221 VanDerWaalsContact O-N 3.12Å; T221-I513 PolarHBondContact N-O 2.81Å; T221-I513 PolarHBondContact OG1-O 3.12Å
222Q96.4Very high93Very high35 Ų3552.9 Ų52.916%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-149.1143.4178.8-173.9172.43.900110.6T220 L224 R263 L264 I513T220-Q222 WeakPolarHBondContact CG2-O 3.02Å; Q222-L224 HydrophobicContact CG-CD2 3.85Å; Q222-L224 VanDerWaalsContact NE2-CD2 3.29Å; Q222-R263 VanDerWaalsContact OE1-CA 3.32Å; Q222-L264 PolarHBondContact NE2-O 3.29Å; Q222-I513 HydrophobicContact CB-CB 4.15Å; Q222-I513 HydrophobicContact CB-CG1 4.26Å; Q222-I513 PolarHBondContact O-N 2.69Å
223I97.9Very high93.8Very high82 Ų8249 Ų4942%0.42126%0.264SS..EExtended strand (participates in β ladder)trans-119.3122.5172.2-52.9177000106.9T220 T225 T510 R512T220-I223 HydrophobicContact CG2-CD1 4.28Å; T220-I223 HydrophobicContact CG2-CG1 3.58Å; I223-T225 HydrophobicContact CG2-CG2 3.89Å; I223-T510 HydrophobicContact CG2-CG2 4.16Å; I223-R512 HydrophobicContact CG1-CG 4.36Å
224L98Very high94.6Very high7 Ų745.4 Ų45.44%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-98123.3174.8-48.6175.3000107.9Q222 W255 L264 T510 V511Q222-L224 HydrophobicContact CG-CD2 3.85Å; Q222-L224 VanDerWaalsContact NE2-CD2 3.29Å; L224-W255 HydrophobicContact CB-CH2 3.86Å; L224-W255 HydrophobicContact CB-CZ2 4.1Å; L224-W255 HydrophobicContact CB-CZ3 4.38Å; L224-W255 HydrophobicContact CD1-CD2 3.75Å; L224-W255 HydrophobicContact CD1-CE3 3.92Å; L224-W255 HydrophobicContact CD1-CG 4.35Å; L224-W255 HydrophobicContact CD1-CH2 4Å; L224-W255 HydrophobicContact CD1-CZ2 3.86Å; L224-W255 HydrophobicContact CD1-CZ3 4.04Å; L224-W255 HydrophobicContact CD2-CE3 4.16Å; L224-W255 HydrophobicContact CD2-CH2 4.17Å; L224-W255 HydrophobicContact CD2-CZ3 3.81Å; L224-W255 HydrophobicContact CG-CH2 4.23Å; L224-W255 HydrophobicContact CG-CZ2 4.47Å; L224-W255 HydrophobicContact CG-CZ3 4.3Å; L224-L264 HydrophobicContact CD1-CB 4.37Å; L224-L264 HydrophobicContact CD1-CD2 4.07Å; L224-L264 HydrophobicContact CD2-CB 4.4Å; L224-T510 WeakPolarHBondContact O-CA 3.43Å; L224-V511 HydrophobicContact CB-CB 4.14Å; L224-V511 HydrophobicContact CD1-CB 4.18Å; L224-V511 HydrophobicContact CD1-CG1 4.22Å; L224-V511 HydrophobicContact CG-CB 4.48Å; L224-V511 PolarHBondContact N-O 2.89Å; L224-V511 PolarHBondContact O-N 2.92Å
225T97.7Very high95.4Very high99 Ų9946.8 Ų46.861%0.60725%0.245SC*.  trans-122.423.5-173.260.20000111.7I223 T510I223-T225 HydrophobicContact CG2-CG2 3.89Å; T225-T510 HydrophobicContact CG2-CG2 4.1Å
226D97.6Very high96.2Very high66 Ų6643.2 Ų43.235%0.35323%0.225SC..  trans-79.7-23.2-174.5-67.4-117000112.5F253 W255 K266D226-F253 HydrophobicContact CB-CD2 4.12Å; D226-F253 HydrophobicContact CB-CE2 3.68Å; D226-F253 HydrophobicContact CB-CZ 4Å; D226-W255 HydrophobicContact CB-CH2 3.82Å; D226-W255 HydrophobicContact CB-CZ2 4.36Å; D226-W255 WeakPolarHBondContact OD2-CH2 3.32Å; D226-K266 IonicContact OD1-NZ 3.61Å; D226-K266 PolarHBondContact OD1-NZ 3.35Å
227H98Very high96.6Very high14 Ų1443.1 Ų43.17%0.06523%0.225CC..  trans-73.8146.1173.2-77-62.5000111.2V231 T245 S247 D249 I251 F253H227-V231 HydrophobicContact CB-CG2 3.71Å; H227-T245 PolarHBondContact NE2-O 3.27Å; H227-T245 PolarHBondContact NE2-OG1 3.1Å; H227-S247 VanDerWaalsContact CE1-CB 3.43Å; H227-S247 WeakPolarHBondContact CE1-CB 3.48Å; H227-S247 WeakPolarHBondContact ND1-CB 3.48Å; H227-D249 WeakPolarHBondContact CA-OD2 3.33Å; H227-D249 IonicContact CG-OD2 2.72Å; H227-D249 IonicContact ND1-OD1 3.9Å; H227-D249 IonicContact ND1-OD2 3.92Å; H227-D249 PolarHBondContact ND1-OD2 3.5Å; H227-I251 PolarHBondContact CE1-O 2.93Å; H227-I251 VanDerWaalsContact CE1-O 3.32Å; H227-F253 AromaticContact CD2-CD2 3.86Å; H227-F253 AromaticContact CE1-CD2 3.28Å; H227-F253 WeakPolarHBondContact CE1-CD2 3.38Å; H227-F253 AromaticContact CE1-CE2 3.73Å; H227-F253 AromaticContact CG-CD2 3.94Å; H227-F253 AromaticContact CG-CE2 3.97Å; H227-F253 AromaticContact ND1-CD2 3.58Å; H227-F253 AromaticContact ND1-CE2 3.56Å; H227-F253 AromaticContact NE2-CD2 3.45Å; H227-F253 WeakPolarHBondContact NE2-CD2 3.15Å
228S97Very high96.9Very high104 Ų10447.2 Ų47.273%0.72725%0.247SC*.SBendtrans-102.6-5.2-176.960.90000114.1D249S228-D249 PolarHBondContact N-OD2 3.03Å; S228-D249 VanDerWaalsContact OG-CB 3.32Å; S228-D249 WeakPolarHBondContact OG-CB 3.2Å
229D97.6Very high97.2Very high64 Ų6447.2 Ų47.234%0.34225%0.254SS..SBendtrans-149.6-177.8-177.8-153.8-15000110.1V231 S247 K248 D249 G509D229-V231 PolarHBondContact O-N 3.4Å; D229-S247 PolarHBondContact O-OG 3.11Å; D229-K248 HydrophobicContact CB-CB 4.13Å; D229-K248 WeakPolarHBondContact OD2-CD 3.37Å; D229-D249 HydrophobicContact CB-CB 4.09Å; D229-G509 WeakPolarHBondContact O-CA 3.45Å
230E97.6Very high97.4Very high50 Ų5042.6 Ų42.623%0.23423%0.234CC..  trans-46.6125.4-179.8-64.3161.7-159.200113.1W232 S247 K248 D507E230-W232 PolarHBondContact OE2-NE1 3.1Å; E230-S247 CarbonylContact O-C 3.49Å; E230-S247 VanDerWaalsContact O-CA 3.28Å; E230-S247 WeakPolarHBondContact O-CA 3.49Å; E230-S247 WeakPolarHBondContact O-CB 3.3Å; E230-S247 PolarHBondContact O-OG 3.37Å; E230-S247 VanDerWaalsContact O-OG 3.07Å; E230-K248 HydrophobicContact CB-CB 4.2Å; E230-K248 HydrophobicContact CB-CD 4.22Å; E230-K248 HydrophobicContact CG-CD 4.33Å; E230-K248 PolarHBondContact O-N 3.12Å; E230-K248 IonicContact OE1-NZ 2.77Å; E230-K248 PolarHBondContact OE1-NZ 2.82Å; E230-K248 VanDerWaalsContact OE2-CD 3.3Å; E230-K248 WeakPolarHBondContact OE2-CD 3.36Å; E230-K248 IonicContact OE2-NZ 2.8Å; E230-K248 PolarHBondContact OE2-NZ 2.9Å; E230-D507 HydrophobicContact CG-CB 3.99Å
231V98.4Very high97.5Very high0 Ų047.5 Ų47.50%025%0.252CS..EExtended strand (participates in β ladder)trans-96.4107.8176.4-1660000109.3H227 D229 G246 N490 C505 S506 V511H227-V231 HydrophobicContact CB-CG2 3.71Å; D229-V231 PolarHBondContact O-N 3.4Å; V231-G246 VanDerWaalsContact CG1-O 3.29Å; V231-G246 WeakPolarHBondContact CG1-O 3.29Å; V231-N490 PolarHBondContact O-ND2 3.15Å; V231-C505 HydrophobicContact CB-CB 3.8Å; V231-C505 HydrophobicContact CG1-CB 3.51Å; V231-C505 PolarHBondContact O-SG 3.26Å; V231-S506 PolarHBondContact N-O 3.13Å; V231-S506 PolarHBondContact O-N 2.85Å; V231-V511 HydrophobicContact CB-CG2 4.39Å; V231-V511 HydrophobicContact CG1-CG2 3.85Å; V231-V511 HydrophobicContact CG2-CG2 4.29Å
232W97.5Very high97.6Very high49 Ų4948.1 Ų48.119%0.18625%0.249CC..EExtended strand (participates in β ladder)trans-86.6-34.1-170.6-63.6-30.1000113.7E230 G246 K248 N490E230-W232 PolarHBondContact OE2-NE1 3.1Å; W232-G246 PolarHBondContact N-O 3.32Å; W232-K248 HydrophobicContact CD2-CB 4.32Å; W232-K248 HydrophobicContact CH2-CB 3.83Å; W232-K248 HydrophobicContact CH2-CD 4.27Å; W232-K248 HydrophobicContact CH2-CG 3.7Å; W232-K248 HydrophobicContact CZ2-CB 3.52Å; W232-K248 HydrophobicContact CZ2-CD 3.55Å; W232-K248 HydrophobicContact CZ2-CG 3.46Å; W232-K248 VanDerWaalsContact CZ2-CG 3.46Å; W232-K248 HydrophobicContact CZ3-CB 4.32Å; W232-N490 WeakPolarHBondContact O-CB 3.47Å
233F97.9Very high97.7Very high6 Ų646.5 Ų46.53%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-143.6143-176.1-165.7-121.4000112.7R235 T245 G246 S278 Y279 F280 F448 A491F233-R235 HydrophobicContact CE1-CB 3.95Å; F233-R235 HydrophobicContact CZ-CB 4.25Å; F233-T245 WeakPolarHBondContact O-CA 3.29Å; F233-G246 PolarHBondContact N-O 3.42Å; F233-G246 PolarHBondContact O-N 2.94Å; F233-S278 WeakPolarHBondContact CB-O 3.29Å; F233-Y279 AromaticContact CD1-CD2 3.9Å; F233-Y279 HydrophobicContact CD1-CD2 3.9Å; F233-Y279 HydrophobicContact CD1-CE2 4.32Å; F233-Y279 HydrophobicContact CD1-CG 4.48Å; F233-Y279 HydrophobicContact CD2-CD2 4.09Å; F233-Y279 HydrophobicContact CD2-CE2 4.28Å; F233-Y279 AromaticContact CE1-CD2 3.72Å; F233-Y279 HydrophobicContact CE1-CD2 3.72Å; F233-Y279 AromaticContact CE1-CE2 3.69Å; F233-Y279 HydrophobicContact CE1-CE2 3.69Å; F233-Y279 HydrophobicContact CE1-CG 4.4Å; F233-Y279 AromaticContact CE2-CD2 3.91Å; F233-Y279 HydrophobicContact CE2-CD2 3.91Å; F233-Y279 AromaticContact CE2-CE2 3.63Å; F233-Y279 HydrophobicContact CE2-CE2 3.63Å; F233-Y279 HydrophobicContact CG-CD2 4.09Å; F233-Y279 AromaticContact CZ-CD2 3.72Å; F233-Y279 HydrophobicContact CZ-CD2 3.72Å; F233-Y279 AromaticContact CZ-CE2 3.29Å; F233-Y279 HydrophobicContact CZ-CE2 3.29Å; F233-F280 HydrophobicContact CB-CE1 3.96Å; F233-F280 HydrophobicContact CB-CZ 4.23Å; F233-F280 AromaticContact CD1-CD1 3.87Å; F233-F280 HydrophobicContact CD1-CD1 3.87Å; F233-F280 AromaticContact CD1-CD2 3.9Å; F233-F280 HydrophobicContact CD1-CD2 3.9Å; F233-F280 AromaticContact CD1-CE1 3.63Å; F233-F280 HydrophobicContact CD1-CE1 3.63Å; F233-F280 AromaticContact CD1-CE2 3.67Å; F233-F280 HydrophobicContact CD1-CE2 3.67Å; F233-F280 HydrophobicContact CD1-CG 4.01Å; F233-F280 AromaticContact CD1-CZ 3.54Å; F233-F280 HydrophobicContact CD1-CZ 3.54Å; F233-F280 HydrophobicContact CE1-CD2 4.06Å; F233-F280 HydrophobicContact CE1-CE2 4.02Å; F233-F280 HydrophobicContact CE1-CG 4.41Å; F233-F280 HydrophobicContact CE1-CZ 4.34Å; F233-F280 WeakPolarHBondContact CE1-O 3.41Å; F233-F280 HydrophobicContact CG-CE1 4.26Å; F233-F280 HydrophobicContact CG-CZ 4.24Å; F233-F280 WeakPolarHBondContact O-CZ 3.38Å; F233-F448 HydrophobicContact CD2-CB 3.84Å; F233-F448 AromaticContact CD2-CD1 3.71Å; F233-F448 HydrophobicContact CD2-CD1 3.71Å; F233-F448 AromaticContact CD2-CD2 3.54Å; F233-F448 HydrophobicContact CD2-CD2 3.54Å; F233-F448 HydrophobicContact CD2-CE1 4.09Å; F233-F448 AromaticContact CD2-CE2 3.92Å; F233-F448 HydrophobicContact CD2-CE2 3.92Å; F233-F448 AromaticContact CD2-CG 3.41Å; F233-F448 HydrophobicContact CD2-CG 3.41Å; F233-F448 VanDerWaalsContact CD2-CG 3.41Å; F233-F448 HydrophobicContact CD2-CZ 4.18Å; F233-F448 HydrophobicContact CE2-CB 3.66Å; F233-F448 AromaticContact CE2-CD1 3.52Å; F233-F448 HydrophobicContact CE2-CD1 3.52Å; F233-F448 HydrophobicContact CE2-CD2 4.14Å; F233-F448 HydrophobicContact CE2-CE1 4.16Å; F233-F448 AromaticContact CE2-CG 3.52Å; F233-F448 HydrophobicContact CE2-CG 3.52Å; F233-A491 HydrophobicContact CD2-CB 4.03Å
234C98.2Very high97.8Very high1 Ų142.6 Ų42.61%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-139.3138.9172.4680000110.9L243 A244 T245 C493 C505C234-L243 HydrophobicContact CB-CD1 4.41Å; C234-A244 CarbonylContact C-O 3.48Å; C234-A244 VanDerWaalsContact CA-O 3.22Å; C234-A244 WeakPolarHBondContact CA-O 3.46Å; C234-T245 HydrophobicContact CB-CG2 4.03Å; C234-C493 WeakPolarHBondContact O-CB 3.23Å; C234-C505 HydrophobicContact CB-CB 4.11Å
235R98.4Very high97.8Very high79 Ų7942.2 Ų42.230%0.29822%0.219SC..EExtended strand (participates in β ladder)trans-150125.7-179.8-162.3169.6-174.9143.52.4112.5F233 A244 Y279 F280 W282F233-R235 HydrophobicContact CE1-CB 3.95Å; F233-R235 HydrophobicContact CZ-CB 4.25Å; R235-A244 PolarHBondContact N-O 2.84Å; R235-A244 PolarHBondContact O-N 2.79Å; R235-Y279 PolarHBondContact NH1-OH 3.46Å; R235-F280 HydrophobicContact CB-CD2 4.39Å; R235-F280 HydrophobicContact CB-CE2 3.87Å; R235-W282 PolarHBondContact O-NE1 2.7Å; R235-W282 VanDerWaalsContact O-NE1 3.08Å
236F98.5Very high97.8Very high6 Ų637.5 Ų37.53%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-66148.7169.2-74.7-79.4000110.6R242 L243 V257 W282 C493 N495 M501 A503F236-R242 CarbonylContact C-O 3.58Å; F236-R242 VanDerWaalsContact CA-O 3.29Å; F236-R242 WeakPolarHBondContact CA-O 3.32Å; F236-R242 WeakPolarHBondContact CD1-O 3.15Å; F236-L243 HydrophobicContact CD1-CB 3.98Å; F236-L243 HydrophobicContact CD1-CD1 3.98Å; F236-L243 HydrophobicContact CD2-CD1 3.95Å; F236-L243 HydrophobicContact CE1-CB 3.95Å; F236-L243 HydrophobicContact CE1-CD1 4.06Å; F236-L243 HydrophobicContact CE1-CG 4.43Å; F236-L243 HydrophobicContact CE2-CD1 4.04Å; F236-L243 HydrophobicContact CG-CD1 3.91Å; F236-L243 HydrophobicContact CZ-CD1 4.1Å; F236-V257 HydrophobicContact CD1-CG2 4.18Å; F236-V257 HydrophobicContact CE1-CG2 3.8Å; F236-W282 PolarHBondContact O-NE1 2.97Å; F236-C493 HydrophobicContact CD2-CB 4.38Å; F236-C493 WeakPolarHBondContact CE2-O 3.33Å; F236-C493 PolarHBondContact N-SG 3.21Å; F236-C493 VanDerWaalsContact N-SG 3.4Å; F236-N495 HydrophobicContact CD1-CB 4.2Å; F236-N495 HydrophobicContact CD2-CB 3.98Å; F236-N495 HydrophobicContact CE1-CB 4.15Å; F236-N495 HydrophobicContact CE2-CB 3.92Å; F236-N495 HydrophobicContact CG-CB 4.12Å; F236-N495 HydrophobicContact CZ-CB 4.01Å; F236-M501 HydrophobicContact CE1-CE 4.03Å; F236-M501 HydrophobicContact CE1-SD 4.14Å; F236-M501 HydrophobicContact CZ-CE 3.98Å; F236-M501 HydrophobicContact CZ-CG 4.18Å; F236-M501 HydrophobicContact CZ-SD 4.1Å; F236-A503 HydrophobicContact CE2-CB 3.59Å; F236-A503 HydrophobicContact CZ-CB 3.89Å
237S98.1Very high97.9Very high0 Ų034.4 Ų34.40%017%0.173CC..  trans-64.4161169.7760000110.6S239 G240 K241 R242 D286 P496S237-S239 PolarHBondContact O-N 2.77Å; S237-S239 PolarHBondContact OG-OG 3.48Å; S237-G240 WeakPolarHBondContact O-CA 3.39Å; S237-G240 PolarHBondContact O-N 3.19Å; S237-G240 PolarHBondContact OG-N 2.82Å; S237-K241 PolarHBondContact OG-N 3.25Å; S237-R242 PolarHBondContact N-O 2.84Å; S237-R242 PolarHBondContact OG-N 2.94Å; S237-D286 WeakPolarHBondContact CB-OD2 3.24Å; S237-D286 PolarHBondContact OG-OD2 3.46Å; S237-P496 WeakPolarHBondContact O-CG 3.32Å
238N97.2Very high97.8Very high85 Ų8537.6 Ų37.646%0.45519%0.187SC..THydrogen-bonded Turntrans-62.1-33.4-176.8-61.1-52.5000111.9G240 S283 D286 P496N238-G240 VanDerWaalsContact C-N 3.3Å; N238-S283 PolarHBondContact ND2-O 3.31Å; N238-D286 VanDerWaalsContact CB-OD1 3.26Å; N238-D286 WeakPolarHBondContact CB-OD1 3.18Å; N238-D286 PolarHBondContact N-OD1 2.85Å; N238-D286 PolarHBondContact N-OD2 2.98Å; N238-D286 PolarHBondContact ND2-OD1 3.15Å; N238-P496 WeakPolarHBondContact O-CG 3.32Å
239S96.5Very high97.9Very high52 Ų5234.4 Ų34.436%0.36416%0.162SC..THydrogen-bonded Turntrans-76.1-10.5172.260.60000114.6S237 K241 D286 A497S237-S239 PolarHBondContact O-N 2.77Å; S237-S239 PolarHBondContact OG-OG 3.48Å; S239-K241 PolarHBondContact O-N 2.74Å; S239-D286 WeakPolarHBondContact CB-OD2 3.48Å; S239-D286 PolarHBondContact N-OD2 3.28Å; S239-D286 PolarHBondContact OG-OD2 2.9Å; S239-A497 WeakPolarHBondContact O-CB 3.43Å
240G96.5Very high97.8Very high4 Ų431.7 Ų31.74%0.04115%0.149CC..SBendtrans716.8-177.600000115.1S237 N238 N495S237-G240 WeakPolarHBondContact O-CA 3.39Å; S237-G240 PolarHBondContact O-N 3.19Å; S237-G240 PolarHBondContact OG-N 2.82Å; N238-G240 VanDerWaalsContact C-N 3.3Å; G240-N495 VanDerWaalsContact CA-OD1 3.25Å; G240-N495 WeakPolarHBondContact CA-OD1 3.46Å; G240-N495 PolarHBondContact O-ND2 3.25Å
241K97.4Very high97.8Very high143 Ų14330.9 Ų30.962%0.62215%0.146SC*.SBendtrans-85.5-16.8-177.8-66.6-178.3180177.80113.6S237 S239 V257S237-K241 PolarHBondContact OG-N 3.25Å; S239-K241 PolarHBondContact O-N 2.74Å; K241-V257 WeakPolarHBondContact O-CB 3.22Å; K241-V257 PolarHBondContact O-N 3.46Å
242R98.1Very high97.8Very high65 Ų6530.9 Ų30.925%0.24515%0.146CC..EExtended strand (participates in β ladder)trans-132.6152.3-179.3-62.6177.4178.5-177.8-7.5110.8F236 S237 I254 W255 L267 W282 M305F236-R242 CarbonylContact C-O 3.58Å; F236-R242 VanDerWaalsContact CA-O 3.29Å; F236-R242 WeakPolarHBondContact CA-O 3.32Å; F236-R242 WeakPolarHBondContact CD1-O 3.15Å; S237-R242 PolarHBondContact N-O 2.84Å; S237-R242 PolarHBondContact OG-N 2.94Å; R242-I254 HydrophobicContact CB-CG2 4.44Å; R242-W255 CarbonylContact C-O 3.54Å; R242-W255 WeakPolarHBondContact CA-O 3.39Å; R242-W255 WeakPolarHBondContact CB-O 3.46Å; R242-L267 HydrophobicContact CG-CD1 4.34Å; R242-W282 HydrophobicContact CB-CH2 3.78Å; R242-W282 HydrophobicContact CB-CZ2 4.15Å; R242-M305 PolarHBondContact NH1-O 2.96Å
243L98.5Very high97.9Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-119.7135.6169.2178.470000108.1C234 F236 T245 I254 W255 L264 A503 V511 I513C234-L243 HydrophobicContact CB-CD1 4.41Å; F236-L243 HydrophobicContact CD1-CB 3.98Å; F236-L243 HydrophobicContact CD1-CD1 3.98Å; F236-L243 HydrophobicContact CD2-CD1 3.95Å; F236-L243 HydrophobicContact CE1-CB 3.95Å; F236-L243 HydrophobicContact CE1-CD1 4.06Å; F236-L243 HydrophobicContact CE1-CG 4.43Å; F236-L243 HydrophobicContact CE2-CD1 4.04Å; F236-L243 HydrophobicContact CG-CD1 3.91Å; F236-L243 HydrophobicContact CZ-CD1 4.1Å; L243-T245 HydrophobicContact CD2-CG2 3.83Å; L243-T245 HydrophobicContact CG-CG2 3.96Å; L243-I254 CarbonylContact O-C 3.51Å; L243-I254 WeakPolarHBondContact O-CA 3.39Å; L243-W255 HydrophobicContact CB-CB 4.19Å; L243-W255 PolarHBondContact N-O 3.25Å; L243-W255 VanDerWaalsContact O-CD1 3.27Å; L243-W255 PolarHBondContact O-N 2.89Å; L243-L264 HydrophobicContact CB-CD2 3.72Å; L243-L264 HydrophobicContact CD2-CD2 3.34Å; L243-L264 HydrophobicContact CG-CD2 4.15Å; L243-A503 HydrophobicContact CD1-CB 4.15Å; L243-A503 HydrophobicContact CD2-CB 4.04Å; L243-V511 HydrophobicContact CD2-CG1 4.27Å; L243-I513 HydrophobicContact CD2-CD1 4.01Å
244A98.7Very high97.9Very high0 Ų028.9 Ų28.90%014%0.138CC..EExtended strand (participates in β ladder)trans-105.9137.3166.800000109.3C234 R235 V252 F253 I254 F280 W282 L289C234-A244 CarbonylContact C-O 3.48Å; C234-A244 VanDerWaalsContact CA-O 3.22Å; C234-A244 WeakPolarHBondContact CA-O 3.46Å; R235-A244 PolarHBondContact N-O 2.84Å; R235-A244 PolarHBondContact O-N 2.79Å; A244-V252 HydrophobicContact CB-CG1 4.26Å; A244-F253 CarbonylContact C-O 3.51Å; A244-F253 WeakPolarHBondContact CA-O 3.32Å; A244-I254 HydrophobicContact CB-CD1 3.65Å; A244-F280 HydrophobicContact CB-CD2 3.93Å; A244-F280 HydrophobicContact CB-CE2 3.39Å; A244-F280 HydrophobicContact CB-CZ 3.99Å; A244-F280 WeakPolarHBondContact O-CZ 3.32Å; A244-W282 HydrophobicContact CB-CZ2 3.6Å; A244-L289 HydrophobicContact CB-CD1 4.5Å; A244-L289 HydrophobicContact CB-CD2 4.17Å
245T98.6Very high97.9Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-131.9122.9177.162.60000108.9H227 F233 C234 L243 V252 F253 W255 V511H227-T245 PolarHBondContact NE2-O 3.27Å; H227-T245 PolarHBondContact NE2-OG1 3.1Å; F233-T245 WeakPolarHBondContact O-CA 3.29Å; C234-T245 HydrophobicContact CB-CG2 4.03Å; L243-T245 HydrophobicContact CD2-CG2 3.83Å; L243-T245 HydrophobicContact CG-CG2 3.96Å; T245-V252 CarbonylContact O-C 3.51Å; T245-V252 VanDerWaalsContact O-CA 3.23Å; T245-V252 WeakPolarHBondContact O-CA 3.04Å; T245-F253 PolarHBondContact N-O 3Å; T245-F253 PolarHBondContact O-N 3.49Å; T245-W255 PolarHBondContact OG1-NE1 3.15Å; T245-V511 HydrophobicContact CG2-CB 4.37Å; T245-V511 HydrophobicContact CG2-CG1 3.99Å; T245-V511 HydrophobicContact CG2-CG2 3.8Å
246G98.2Very high97.9Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-115.8138.4-178.600000111.5V231 W232 F233 A277V231-G246 VanDerWaalsContact CG1-O 3.29Å; V231-G246 WeakPolarHBondContact CG1-O 3.29Å; W232-G246 PolarHBondContact N-O 3.32Å; F233-G246 PolarHBondContact N-O 3.42Å; F233-G246 PolarHBondContact O-N 2.94Å; G246-A277 CarbonylContact C-O 3.59Å
247S98.1Very high97.9Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-128.6161.6-172.7166.70000111.7H227 D229 E230 D249 G250 I251 G276 A277H227-S247 VanDerWaalsContact CE1-CB 3.43Å; H227-S247 WeakPolarHBondContact CE1-CB 3.48Å; H227-S247 WeakPolarHBondContact ND1-CB 3.48Å; D229-S247 PolarHBondContact O-OG 3.11Å; E230-S247 CarbonylContact O-C 3.49Å; E230-S247 VanDerWaalsContact O-CA 3.28Å; E230-S247 WeakPolarHBondContact O-CA 3.49Å; E230-S247 WeakPolarHBondContact O-CB 3.3Å; E230-S247 PolarHBondContact O-OG 3.37Å; E230-S247 VanDerWaalsContact O-OG 3.07Å; S247-D249 WeakPolarHBondContact CB-OD1 3.42Å; S247-D249 PolarHBondContact O-N 3.42Å; S247-D249 PolarHBondContact OG-N 3.21Å; S247-D249 VanDerWaalsContact OG-N 3.1Å; S247-D249 PolarHBondContact OG-OD1 3Å; S247-D249 PolarHBondContact OG-OD2 2.99Å; S247-G250 PolarHBondContact O-N 3.26Å; S247-I251 PolarHBondContact N-O 3.03Å; S247-G276 WeakPolarHBondContact O-CA 3.28Å; S247-A277 PolarHBondContact O-N 2.94Å
248K97.7Very high97.8Very high82 Ų8233.5 Ų33.536%0.35717%0.166SC..THydrogen-bonded Turntrans-59-24.4168.4-172.7172.8-175.8176.40113.3D229 E230 W232 G250D229-K248 HydrophobicContact CB-CB 4.13Å; D229-K248 WeakPolarHBondContact OD2-CD 3.37Å; E230-K248 HydrophobicContact CB-CB 4.2Å; E230-K248 HydrophobicContact CB-CD 4.22Å; E230-K248 HydrophobicContact CG-CD 4.33Å; E230-K248 PolarHBondContact O-N 3.12Å; E230-K248 IonicContact OE1-NZ 2.77Å; E230-K248 PolarHBondContact OE1-NZ 2.82Å; E230-K248 VanDerWaalsContact OE2-CD 3.3Å; E230-K248 WeakPolarHBondContact OE2-CD 3.36Å; E230-K248 IonicContact OE2-NZ 2.8Å; E230-K248 PolarHBondContact OE2-NZ 2.9Å; W232-K248 HydrophobicContact CD2-CB 4.32Å; W232-K248 HydrophobicContact CH2-CB 3.83Å; W232-K248 HydrophobicContact CH2-CD 4.27Å; W232-K248 HydrophobicContact CH2-CG 3.7Å; W232-K248 HydrophobicContact CZ2-CB 3.52Å; W232-K248 HydrophobicContact CZ2-CD 3.55Å; W232-K248 HydrophobicContact CZ2-CG 3.46Å; W232-K248 VanDerWaalsContact CZ2-CG 3.46Å; W232-K248 HydrophobicContact CZ3-CB 4.32Å; K248-G250 PolarHBondContact O-N 3Å
249D97.2Very high97.4Very high37 Ų3734.3 Ų34.320%0.19818%0.179CC..THydrogen-bonded Turntrans-64.7-6.217564.620.1000114.1H227 S228 D229 S247 I251H227-D249 WeakPolarHBondContact CA-OD2 3.33Å; H227-D249 IonicContact CG-OD2 2.72Å; H227-D249 IonicContact ND1-OD1 3.9Å; H227-D249 IonicContact ND1-OD2 3.92Å; H227-D249 PolarHBondContact ND1-OD2 3.5Å; S228-D249 PolarHBondContact N-OD2 3.03Å; S228-D249 VanDerWaalsContact OG-CB 3.32Å; S228-D249 WeakPolarHBondContact OG-CB 3.2Å; D229-D249 HydrophobicContact CB-CB 4.09Å; S247-D249 WeakPolarHBondContact CB-OD1 3.42Å; S247-D249 PolarHBondContact O-N 3.42Å; S247-D249 PolarHBondContact OG-N 3.21Å; S247-D249 VanDerWaalsContact OG-N 3.1Å; S247-D249 PolarHBondContact OG-OD1 3Å; S247-D249 PolarHBondContact OG-OD2 2.99Å; D249-I251 VanDerWaalsContact C-N 3.33Å; D249-I251 WeakPolarHBondContact OD1-CB 3.31Å; D249-I251 PolarHBondContact OD1-N 3.03Å
250G96.6Very high97.1Very high7 Ų737.7 Ų37.77%0.07220%0.197CC..SBendtrans82.513.217700000113.8S247 K248 H273S247-G250 PolarHBondContact O-N 3.26Å; K248-G250 PolarHBondContact O-N 3Å; G250-H273 WeakPolarHBondContact CA-O 3.43Å; G250-H273 WeakPolarHBondContact O-CB 3.42Å; G250-H273 PolarHBondContact O-CD2 3.44Å; G250-H273 PolarHBondContact O-N 2.68Å
251I98.2Very high96.8Very high33 Ų3341 Ų4117%0.16922%0.217CC..EExtended strand (participates in β ladder)trans-111.8135.9177.9-51-176.2000109.3H227 S247 D249 F253 A269 L270 E271H227-I251 PolarHBondContact CE1-O 2.93Å; H227-I251 VanDerWaalsContact CE1-O 3.32Å; S247-I251 PolarHBondContact N-O 3.03Å; D249-I251 VanDerWaalsContact C-N 3.33Å; D249-I251 WeakPolarHBondContact OD1-CB 3.31Å; D249-I251 PolarHBondContact OD1-N 3.03Å; I251-F253 HydrophobicContact CG2-CD1 4.16Å; I251-F253 HydrophobicContact CG2-CD2 4.41Å; I251-F253 HydrophobicContact CG2-CE1 3.92Å; I251-F253 HydrophobicContact CG2-CE2 4.16Å; I251-F253 HydrophobicContact CG2-CG 4.38Å; I251-F253 HydrophobicContact CG2-CZ 3.91Å; I251-A269 HydrophobicContact CG2-CB 4.17Å; I251-L270 WeakPolarHBondContact CA-O 3.32Å; I251-E271 HydrophobicContact CD1-CG 4.3Å; I251-E271 HydrophobicContact CG1-CG 4.19Å; I251-E271 HydrophobicContact CG2-CG 4.43Å
252V98.6Very high96.6Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-105.3115.4161.5179.80000108.6A244 T245 I254 L270 A277 L289 V291A244-V252 HydrophobicContact CB-CG1 4.26Å; T245-V252 CarbonylContact O-C 3.51Å; T245-V252 VanDerWaalsContact O-CA 3.23Å; T245-V252 WeakPolarHBondContact O-CA 3.04Å; V252-I254 HydrophobicContact CG1-CD1 4.07Å; V252-L270 HydrophobicContact CB-CB 4.17Å; V252-L270 HydrophobicContact CB-CD1 4.29Å; V252-L270 HydrophobicContact CG1-CD1 4.3Å; V252-L270 PolarHBondContact N-O 3.3Å; V252-L270 WeakPolarHBondContact O-CB 3.4Å; V252-L270 WeakPolarHBondContact O-CG 3.29Å; V252-L270 PolarHBondContact O-N 2.91Å; V252-A277 HydrophobicContact CG2-CB 3.3Å; V252-L289 HydrophobicContact CG1-CD2 4.13Å; V252-V291 HydrophobicContact CG2-CG1 3.94Å; V252-V291 HydrophobicContact CG2-CG2 4.34Å
253F98.6Very high96.4Very high12 Ų1241.5 Ų41.55%0.05322%0.215CC..EExtended strand (participates in β ladder)trans-85.1135.1170.7-71.8-62000110.5D226 H227 A244 T245 I251 W255 K266 F268 A269D226-F253 HydrophobicContact CB-CD2 4.12Å; D226-F253 HydrophobicContact CB-CE2 3.68Å; D226-F253 HydrophobicContact CB-CZ 4Å; H227-F253 AromaticContact CD2-CD2 3.86Å; H227-F253 AromaticContact CE1-CD2 3.28Å; H227-F253 WeakPolarHBondContact CE1-CD2 3.38Å; H227-F253 AromaticContact CE1-CE2 3.73Å; H227-F253 AromaticContact CG-CD2 3.94Å; H227-F253 AromaticContact CG-CE2 3.97Å; H227-F253 AromaticContact ND1-CD2 3.58Å; H227-F253 AromaticContact ND1-CE2 3.56Å; H227-F253 AromaticContact NE2-CD2 3.45Å; H227-F253 WeakPolarHBondContact NE2-CD2 3.15Å; A244-F253 CarbonylContact C-O 3.51Å; A244-F253 WeakPolarHBondContact CA-O 3.32Å; T245-F253 PolarHBondContact N-O 3Å; T245-F253 PolarHBondContact O-N 3.49Å; I251-F253 HydrophobicContact CG2-CD1 4.16Å; I251-F253 HydrophobicContact CG2-CD2 4.41Å; I251-F253 HydrophobicContact CG2-CE1 3.92Å; I251-F253 HydrophobicContact CG2-CE2 4.16Å; I251-F253 HydrophobicContact CG2-CG 4.38Å; I251-F253 HydrophobicContact CG2-CZ 3.91Å; F253-W255 HydrophobicContact CB-CZ2 3.66Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 AromaticContact CG-CZ2 3.99Å; F253-W255 HydrophobicContact CG-CZ2 3.99Å; F253-K266 HydrophobicContact CD1-CD 3.59Å; F253-K266 HydrophobicContact CD1-CG 4.15Å; F253-K266 HydrophobicContact CE1-CD 3.66Å; F253-K266 HydrophobicContact CG-CD 4.43Å; F253-F268 WeakPolarHBondContact CA-O 3.45Å; F253-A269 HydrophobicContact CD1-CB 3.82Å; F253-A269 HydrophobicContact CE1-CB 3.54Å
254I98.6Very high96.4Very high0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-104.6129.9168.1-51.6-57.9000108R242 L243 A244 V252 L267 F268 L270 W282 L289 M305R242-I254 HydrophobicContact CB-CG2 4.44Å; L243-I254 CarbonylContact O-C 3.51Å; L243-I254 WeakPolarHBondContact O-CA 3.39Å; A244-I254 HydrophobicContact CB-CD1 3.65Å; V252-I254 HydrophobicContact CG1-CD1 4.07Å; I254-L267 HydrophobicContact CG2-CB 4.48Å; I254-L267 HydrophobicContact CG2-CD1 4.31Å; I254-L267 WeakPolarHBondContact O-CA 3.34Å; I254-L267 WeakPolarHBondContact O-CB 3.37Å; I254-L267 PolarHBondContact O-N 3.41Å; I254-F268 HydrophobicContact CB-CB 4.11Å; I254-F268 HydrophobicContact CB-CD2 4.16Å; I254-F268 HydrophobicContact CG1-CB 4.2Å; I254-F268 HydrophobicContact CG1-CD2 4.38Å; I254-F268 HydrophobicContact CG2-CD2 4.35Å; I254-F268 PolarHBondContact N-O 3.02Å; I254-F268 PolarHBondContact O-N 3.16Å; I254-L270 HydrophobicContact CD1-CD1 3.92Å; I254-L270 HydrophobicContact CG1-CD1 3.81Å; I254-L270 HydrophobicContact CG1-CG 4.13Å; I254-W282 HydrophobicContact CD1-CH2 4.19Å; I254-W282 HydrophobicContact CD1-CZ2 4.38Å; I254-W282 HydrophobicContact CG2-CH2 4.11Å; I254-L289 HydrophobicContact CD1-CD2 3.82Å; I254-M305 HydrophobicContact CD1-CE 4.34Å; I254-M305 HydrophobicContact CD1-SD 4.09Å; I254-M305 HydrophobicContact CG1-CE 4.42Å; I254-M305 HydrophobicContact CG1-SD 4.11Å
255W98.5Very high96.3Very high5 Ų545.6 Ų45.62%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-117.8141.8-177.9-48.186.6000110.1L224 D226 R242 L243 T245 F253 L264 T265 K266L224-W255 HydrophobicContact CB-CH2 3.86Å; L224-W255 HydrophobicContact CB-CZ2 4.1Å; L224-W255 HydrophobicContact CB-CZ3 4.38Å; L224-W255 HydrophobicContact CD1-CD2 3.75Å; L224-W255 HydrophobicContact CD1-CE3 3.92Å; L224-W255 HydrophobicContact CD1-CG 4.35Å; L224-W255 HydrophobicContact CD1-CH2 4Å; L224-W255 HydrophobicContact CD1-CZ2 3.86Å; L224-W255 HydrophobicContact CD1-CZ3 4.04Å; L224-W255 HydrophobicContact CD2-CE3 4.16Å; L224-W255 HydrophobicContact CD2-CH2 4.17Å; L224-W255 HydrophobicContact CD2-CZ3 3.81Å; L224-W255 HydrophobicContact CG-CH2 4.23Å; L224-W255 HydrophobicContact CG-CZ2 4.47Å; L224-W255 HydrophobicContact CG-CZ3 4.3Å; D226-W255 HydrophobicContact CB-CH2 3.82Å; D226-W255 HydrophobicContact CB-CZ2 4.36Å; D226-W255 WeakPolarHBondContact OD2-CH2 3.32Å; R242-W255 CarbonylContact C-O 3.54Å; R242-W255 WeakPolarHBondContact CA-O 3.39Å; R242-W255 WeakPolarHBondContact CB-O 3.46Å; L243-W255 HydrophobicContact CB-CB 4.19Å; L243-W255 PolarHBondContact N-O 3.25Å; L243-W255 VanDerWaalsContact O-CD1 3.27Å; L243-W255 PolarHBondContact O-N 2.89Å; T245-W255 PolarHBondContact OG1-NE1 3.15Å; F253-W255 HydrophobicContact CB-CZ2 3.66Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 AromaticContact CG-CZ2 3.99Å; F253-W255 HydrophobicContact CG-CZ2 3.99Å; W255-L264 HydrophobicContact CB-CB 4.09Å; W255-L264 HydrophobicContact CB-CD2 3.68Å; W255-L264 HydrophobicContact CB-CG 4.21Å; W255-L264 HydrophobicContact CE3-CB 4.42Å; W255-L264 HydrophobicContact CG-CD2 4.05Å; W255-T265 CarbonylContact C-O 3.46Å; W255-T265 WeakPolarHBondContact CA-O 3.47Å; W255-K266 HydrophobicContact CE3-CB 3.91Å; W255-K266 HydrophobicContact CZ3-CB 3.77Å; W255-K266 HydrophobicContact CZ3-CG 4.43Å
256E97.8Very high96.3Very high94 Ų9450.7 Ų50.744%0.43926%0.262SS..EExtended strand (participates in β ladder)trans-88.2137.8168.7-157.4165.1-157.900110L264 T265 L267E256-L264 WeakPolarHBondContact O-CA 3.46Å; E256-T265 PolarHBondContact N-O 2.78Å; E256-T265 PolarHBondContact O-N 3.41Å; E256-L267 HydrophobicContact CB-CD1 3.58Å; E256-L267 HydrophobicContact CB-CD2 3.95Å; E256-L267 HydrophobicContact CB-CG 3.67Å; E256-L267 HydrophobicContact CG-CD1 4.1Å
257V97.8Very high96.2Very high19 Ų1953.5 Ų53.512%0.11528%0.277CS..EExtended strand (participates in β ladder)trans-97.4117.1174.1-179.80000108.9F236 K241 S259 L264 M501F236-V257 HydrophobicContact CD1-CG2 4.18Å; F236-V257 HydrophobicContact CE1-CG2 3.8Å; K241-V257 WeakPolarHBondContact O-CB 3.22Å; K241-V257 PolarHBondContact O-N 3.46Å; V257-S259 PolarHBondContact O-N 3.19Å; V257-L264 HydrophobicContact CG2-CG 4.36Å; V257-M501 HydrophobicContact CG1-CE 3.87Å; V257-M501 HydrophobicContact CG1-SD 3.74Å; V257-M501 HydrophobicContact CG2-CE 4.28Å
258D95.6Very high96.1Very high65 Ų6555.7 Ų55.735%0.34829%0.287SS..  trans-76.5110.4165.5178.1-5.3000109.2T260 T261 R262 R263D258-T260 PolarHBondContact O-N 2.88Å; D258-T260 WeakPolarHBondContact OD1-CB 3.34Å; D258-T260 PolarHBondContact OD1-N 2.73Å; D258-T261 WeakPolarHBondContact CB-OG1 3.26Å; D258-T261 PolarHBondContact O-N 3.2Å; D258-T261 PolarHBondContact OD1-N 3.06Å; D258-T261 WeakPolarHBondContact OD2-CB 3.48Å; D258-T261 VanDerWaalsContact OD2-CG2 3.25Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.29Å; D258-T261 PolarHBondContact OD2-OG1 3.03Å; D258-R262 VanDerWaalsContact O-CA 3.23Å; D258-R262 WeakPolarHBondContact O-CA 3.48Å; D258-R262 PolarHBondContact O-N 3.29Å; D258-R263 PolarHBondContact N-O 3.26Å
259S90.4Very high96.1Very high102 Ų10254 Ų5471%0.71329%0.287SS*.THydrogen-bonded Turntrans-63-21.6-178.958.30000114V257V257-S259 PolarHBondContact O-N 3.19Å
260T90Very high96.2Very high123 Ų12352.2 Ų52.276%0.75528%0.278SS*.THydrogen-bonded Turntrans-87.4-46.1-178.8-53.60000111D258D258-T260 PolarHBondContact O-N 2.88Å; D258-T260 WeakPolarHBondContact OD1-CB 3.34Å; D258-T260 PolarHBondContact OD1-N 2.73Å
261T90.8Very high96.2Very high75 Ų7558 Ų5846%0.4630%0.303SS..THydrogen-bonded Turntrans-95.3-11.1-175.766.90000113.8D258 R263D258-T261 WeakPolarHBondContact CB-OG1 3.26Å; D258-T261 PolarHBondContact O-N 3.2Å; D258-T261 PolarHBondContact OD1-N 3.06Å; D258-T261 WeakPolarHBondContact OD2-CB 3.48Å; D258-T261 VanDerWaalsContact OD2-CG2 3.25Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.29Å; D258-T261 PolarHBondContact OD2-OG1 3.03Å; T261-R263 PolarHBondContact O-N 3.45Å
262R91.7Very high95.9Very high68 Ų6858.6 Ų58.626%0.25732%0.317SS..  trans56.127.6-174-60172170.1170.2-6.2113.1D258 D498 S500D258-R262 VanDerWaalsContact O-CA 3.23Å; D258-R262 WeakPolarHBondContact O-CA 3.48Å; D258-R262 PolarHBondContact O-N 3.29Å; R262-D498 IonicContact CZ-OD1 3.58Å; R262-D498 IonicContact CZ-OD2 2.74Å; R262-D498 IonicContact NE-OD1 3.54Å; R262-D498 IonicContact NE-OD2 3.24Å; R262-D498 PolarHBondContact NE-OD2 3.06Å; R262-D498 IonicContact NH2-OD1 3.03Å; R262-D498 PolarHBondContact NH2-OD1 3.24Å; R262-D498 IonicContact NH2-OD2 4Å; R262-D498 PolarHBondContact NH2-OD2 3.09Å; R262-S500 VanDerWaalsContact NH2-CB 3.26Å; R262-S500 PolarHBondContact NH2-OG 3.16Å
263R94.5Very high95.8Very high149 Ų14958.7 Ų58.756%0.56232%0.317SS*.  trans-101.4152.3176.5-70.5-174.5168.2-126.8-5.4110.7Q222 D258 T261Q222-R263 VanDerWaalsContact OE1-CA 3.32Å; D258-R263 PolarHBondContact N-O 3.26Å; T261-R263 PolarHBondContact O-N 3.45Å
264L97.7Very high95.3Very high7 Ų763.2 Ų63.24%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-104.8137.1177.2-73.975.6000110.9Q222 L224 L243 W255 E256 V257 M501 I513Q222-L264 PolarHBondContact NE2-O 3.29Å; L224-L264 HydrophobicContact CD1-CB 4.37Å; L224-L264 HydrophobicContact CD1-CD2 4.07Å; L224-L264 HydrophobicContact CD2-CB 4.4Å; L243-L264 HydrophobicContact CB-CD2 3.72Å; L243-L264 HydrophobicContact CD2-CD2 3.34Å; L243-L264 HydrophobicContact CG-CD2 4.15Å; W255-L264 HydrophobicContact CB-CB 4.09Å; W255-L264 HydrophobicContact CB-CD2 3.68Å; W255-L264 HydrophobicContact CB-CG 4.21Å; W255-L264 HydrophobicContact CE3-CB 4.42Å; W255-L264 HydrophobicContact CG-CD2 4.05Å; E256-L264 WeakPolarHBondContact O-CA 3.46Å; V257-L264 HydrophobicContact CG2-CG 4.36Å; L264-M501 HydrophobicContact CD1-CE 3.15Å; L264-M501 HydrophobicContact CG-CE 4.25Å; L264-I513 HydrophobicContact CD1-CB 4.48Å; L264-I513 HydrophobicContact CD1-CD1 3.82Å; L264-I513 HydrophobicContact CD1-CG1 3.67Å; L264-I513 HydrophobicContact CD1-CG2 4.15Å; L264-I513 HydrophobicContact CD2-CD1 3.87Å; L264-I513 HydrophobicContact CD2-CG1 4.41Å
265T97.5Very high95.1Very high79 Ų7967.2 Ų67.249%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-119.4139.8170.750.50000109.2W255 E256 L267W255-T265 CarbonylContact C-O 3.46Å; W255-T265 WeakPolarHBondContact CA-O 3.47Å; E256-T265 PolarHBondContact N-O 2.78Å; E256-T265 PolarHBondContact O-N 3.41Å; T265-L267 PolarHBondContact O-N 3.39Å
266K97.6Very high94.9Very high108 Ų10867 Ų6747%0.4736%0.362SS..EExtended strand (participates in β ladder)trans-70.1126.7179-176.7168.460.4-1680110.2D226 F253 W255D226-K266 IonicContact OD1-NZ 3.61Å; D226-K266 PolarHBondContact OD1-NZ 3.35Å; F253-K266 HydrophobicContact CD1-CD 3.59Å; F253-K266 HydrophobicContact CD1-CG 4.15Å; F253-K266 HydrophobicContact CE1-CD 3.66Å; F253-K266 HydrophobicContact CG-CD 4.43Å; W255-K266 HydrophobicContact CE3-CB 3.91Å; W255-K266 HydrophobicContact CZ3-CB 3.77Å; W255-K266 HydrophobicContact CZ3-CG 4.43Å
267L96.8Very high94.8Very high58 Ų5862.5 Ų62.530%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-99.8-58.6175.7-72.1173.4000111.7R242 I254 E256 T265R242-L267 HydrophobicContact CG-CD1 4.34Å; I254-L267 HydrophobicContact CG2-CB 4.48Å; I254-L267 HydrophobicContact CG2-CD1 4.31Å; I254-L267 WeakPolarHBondContact O-CA 3.34Å; I254-L267 WeakPolarHBondContact O-CB 3.37Å; I254-L267 PolarHBondContact O-N 3.41Å; E256-L267 HydrophobicContact CB-CD1 3.58Å; E256-L267 HydrophobicContact CB-CD2 3.95Å; E256-L267 HydrophobicContact CB-CG 3.67Å; E256-L267 HydrophobicContact CG-CD1 4.1Å; T265-L267 PolarHBondContact O-N 3.39Å
268F96.9Very high94.7Very high47 Ų4762.5 Ų62.521%0.20634%0.343CS..EExtended strand (participates in β ladder)trans-132.5151.1-174.7-55.5-55.9000111.3F253 I254 L270 D307F253-F268 WeakPolarHBondContact CA-O 3.45Å; I254-F268 HydrophobicContact CB-CB 4.11Å; I254-F268 HydrophobicContact CB-CD2 4.16Å; I254-F268 HydrophobicContact CG1-CB 4.2Å; I254-F268 HydrophobicContact CG1-CD2 4.38Å; I254-F268 HydrophobicContact CG2-CD2 4.35Å; I254-F268 PolarHBondContact N-O 3.02Å; I254-F268 PolarHBondContact O-N 3.16Å; F268-L270 HydrophobicContact CB-CD2 3.89Å; F268-D307 WeakPolarHBondContact CE1-O 3.3Å
269A97.7Very high94.8Very high45 Ų4560 Ų6037%0.37233%0.328SS..EExtended strand (participates in β ladder)trans-117.1106166.600000107.1I251 F253 E271I251-A269 HydrophobicContact CG2-CB 4.17Å; F253-A269 HydrophobicContact CD1-CB 3.82Å; F253-A269 HydrophobicContact CE1-CB 3.54Å; A269-E271 PolarHBondContact O-N 3.23Å
270L98Very high95.1Very high0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-90.799.9-178.3-47.5178.9000107.9I251 V252 I254 F268 H273 L289 W303 M305 G308I251-L270 WeakPolarHBondContact CA-O 3.32Å; V252-L270 HydrophobicContact CB-CB 4.17Å; V252-L270 HydrophobicContact CB-CD1 4.29Å; V252-L270 HydrophobicContact CG1-CD1 4.3Å; V252-L270 PolarHBondContact N-O 3.3Å; V252-L270 WeakPolarHBondContact O-CB 3.4Å; V252-L270 WeakPolarHBondContact O-CG 3.29Å; V252-L270 PolarHBondContact O-N 2.91Å; I254-L270 HydrophobicContact CD1-CD1 3.92Å; I254-L270 HydrophobicContact CG1-CD1 3.81Å; I254-L270 HydrophobicContact CG1-CG 4.13Å; F268-L270 HydrophobicContact CB-CD2 3.89Å; L270-H273 PolarHBondContact O-CD2 2.77Å; L270-L289 HydrophobicContact CD1-CD2 4.14Å; L270-W303 HydrophobicContact CB-CD2 3.96Å; L270-W303 HydrophobicContact CB-CE3 4.13Å; L270-W303 HydrophobicContact CB-CH2 4.06Å; L270-W303 HydrophobicContact CB-CZ2 3.87Å; L270-W303 HydrophobicContact CB-CZ3 4.17Å; L270-W303 HydrophobicContact CD1-CB 4.03Å; L270-W303 HydrophobicContact CD1-CD2 4.02Å; L270-W303 HydrophobicContact CD1-CE3 4.47Å; L270-W303 HydrophobicContact CD1-CG 3.81Å; L270-W303 HydrophobicContact CD2-CD2 4.03Å; L270-W303 HydrophobicContact CD2-CE3 3.63Å; L270-W303 HydrophobicContact CD2-CG 4.49Å; L270-W303 HydrophobicContact CD2-CZ3 4.02Å; L270-W303 HydrophobicContact CG-CD2 4.21Å; L270-W303 HydrophobicContact CG-CE3 4.27Å; L270-M305 HydrophobicContact CD1-CE 3.76Å; L270-G308 WeakPolarHBondContact CD2-O 3.45Å
271E96.6Very high95.5Very high130 Ų13049.7 Ų49.761%0.60726%0.262SS*.EExtended strand (participates in β ladder)trans-99.2150.9-174-60.9-178.4-178.900111.9I251 A269 W303I251-E271 HydrophobicContact CD1-CG 4.3Å; I251-E271 HydrophobicContact CG1-CG 4.19Å; I251-E271 HydrophobicContact CG2-CG 4.43Å; A269-E271 PolarHBondContact O-N 3.23Å; E271-W303 WeakPolarHBondContact O-CH2 3.3Å
272G93.1Very high95.9Very high44 Ų4446.7 Ų46.745%0.45424%0.242SC..  trans122.77.3172.500000115.4V274G272-V274 PolarHBondContact O-N 2.75Å; G272-V274 VanDerWaalsContact O-N 3.16Å
273H95.1Very high96.2Very high2 Ų243.5 Ų43.51%0.00923%0.23CC..  trans-83.684.8178.1-54.2-71.9000110.7G250 L270 F275 G276 A277 V291 W301 W303G250-H273 WeakPolarHBondContact CA-O 3.43Å; G250-H273 WeakPolarHBondContact O-CB 3.42Å; G250-H273 PolarHBondContact O-CD2 3.44Å; G250-H273 PolarHBondContact O-N 2.68Å; L270-H273 PolarHBondContact O-CD2 2.77Å; H273-F275 PolarHBondContact O-N 3.36Å; H273-G276 PolarHBondContact O-N 2.8Å; H273-A277 HydrophobicContact CB-CB 4.42Å; H273-V291 VanDerWaalsContact CE1-CG1 3.48Å; H273-V291 WeakPolarHBondContact CE1-CG1 3.31Å; H273-W301 HydrophobicContact CB-CH2 4.27Å; H273-W301 HydrophobicContact CB-CZ2 4.47Å; H273-W301 AromaticContact CE1-CD2 3.59Å; H273-W301 AromaticContact CE1-CE3 3.78Å; H273-W301 AromaticContact CE1-CG 3.58Å; H273-W301 AromaticContact ND1-CD2 3.2Å; H273-W301 AromaticContact ND1-CE2 3.57Å; H273-W301 AromaticContact ND1-CE3 3.18Å; H273-W301 AromaticContact ND1-CG 3.71Å; H273-W301 AromaticContact ND1-CH2 3.89Å; H273-W301 AromaticContact ND1-CZ2 3.92Å; H273-W301 AromaticContact ND1-CZ3 3.54Å; H273-W303 AromaticContact CE1-NE1 3.35Å; H273-W303 PolarHBondContact CE1-NE1 2.84Å; H273-W303 AromaticContact NE2-CE2 3.94Å; H273-W303 AromaticContact NE2-CZ2 3.92Å; H273-W303 AromaticContact NE2-NE1 3.43Å; H273-W303 PolarHBondContact NE2-NE1 3.3Å
274V89.2Confident96.3Very high107 Ų10739.4 Ų39.465%0.64822%0.223SC*.THydrogen-bonded Turntrans-52.6-33.4-167.7-178.30000114.6G272G272-V274 PolarHBondContact O-N 2.75Å; G272-V274 VanDerWaalsContact O-N 3.16Å
275F93.1Very high96.2Very high84 Ų8443.3 Ų43.337%0.36824%0.244SC..THydrogen-bonded Turntrans-109.324.8-179.3-59.4-76.2000113.5H273 S294 E296H273-F275 PolarHBondContact O-N 3.36Å; F275-S294 WeakPolarHBondContact CB-OG 3.12Å; F275-S294 WeakPolarHBondContact O-CB 3.46Å; F275-S294 PolarHBondContact O-OG 3.04Å; F275-E296 HydrophobicContact CB-CB 4.47Å; F275-E296 HydrophobicContact CD1-CB 3.8Å; F275-E296 WeakPolarHBondContact CD1-OE2 3.5Å; F275-E296 HydrophobicContact CD2-CB 4.41Å; F275-E296 HydrophobicContact CE1-CB 4.04Å; F275-E296 HydrophobicContact CG-CB 4Å; F275-E296 HydrophobicContact CZ-CB 4.44Å
276G95.2Very high96.2Very high0 Ų040.4 Ų40.40%023%0.225CC..  trans79.6161.7-173.300000112.8S247 H273 G293S247-G276 WeakPolarHBondContact O-CA 3.28Å; H273-G276 PolarHBondContact O-N 2.8Å; G276-G293 WeakPolarHBondContact O-CA 3.24Å
277A96.3Very high96.2Very high0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-99.7100.5175.700000110G246 S247 V252 H273 V291G246-A277 CarbonylContact C-O 3.59Å; S247-A277 PolarHBondContact O-N 2.94Å; V252-A277 HydrophobicContact CG2-CB 3.3Å; H273-A277 HydrophobicContact CB-CB 4.42Å; A277-V291 HydrophobicContact CB-CG1 3.95Å
278S95.4Very high96.3Very high20 Ų2039.9 Ų39.914%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-85.6-34.7-172.177.40000113.2F233 V292 G293F233-S278 WeakPolarHBondContact CB-O 3.29Å; S278-V292 PolarHBondContact N-O 3.47Å; S278-V292 VanDerWaalsContact N-O 3.12Å; S278-G293 WeakPolarHBondContact CB-O 3.28Å; S278-G293 PolarHBondContact OG-O 3.25Å
279Y96.7Very high96.4Very high12 Ų1237.7 Ų37.75%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-156.9152-175.2-165.1-102.6000110.8F233 R235 V292 C324 V325 Y404 F448F233-Y279 AromaticContact CD1-CD2 3.9Å; F233-Y279 HydrophobicContact CD1-CD2 3.9Å; F233-Y279 HydrophobicContact CD1-CE2 4.32Å; F233-Y279 HydrophobicContact CD1-CG 4.48Å; F233-Y279 HydrophobicContact CD2-CD2 4.09Å; F233-Y279 HydrophobicContact CD2-CE2 4.28Å; F233-Y279 AromaticContact CE1-CD2 3.72Å; F233-Y279 HydrophobicContact CE1-CD2 3.72Å; F233-Y279 AromaticContact CE1-CE2 3.69Å; F233-Y279 HydrophobicContact CE1-CE2 3.69Å; F233-Y279 HydrophobicContact CE1-CG 4.4Å; F233-Y279 AromaticContact CE2-CD2 3.91Å; F233-Y279 HydrophobicContact CE2-CD2 3.91Å; F233-Y279 AromaticContact CE2-CE2 3.63Å; F233-Y279 HydrophobicContact CE2-CE2 3.63Å; F233-Y279 HydrophobicContact CG-CD2 4.09Å; F233-Y279 AromaticContact CZ-CD2 3.72Å; F233-Y279 HydrophobicContact CZ-CD2 3.72Å; F233-Y279 AromaticContact CZ-CE2 3.29Å; F233-Y279 HydrophobicContact CZ-CE2 3.29Å; R235-Y279 PolarHBondContact NH1-OH 3.46Å; Y279-V292 PolarHBondContact N-O 2.92Å; Y279-V292 WeakPolarHBondContact O-CG2 3.5Å; Y279-V292 PolarHBondContact O-N 3.42Å; Y279-C324 HydrophobicContact CD1-CB 4.39Å; Y279-V325 HydrophobicContact CD1-CG1 4.37Å; Y279-V325 WeakPolarHBondContact CE1-O 3.3Å; Y279-Y404 AromaticContact CE2-CE2 3.92Å; Y279-Y404 HydrophobicContact CE2-CE2 3.92Å; Y279-F448 HydrophobicContact CD2-CD1 4.09Å; Y279-F448 AromaticContact CD2-CE1 3.42Å; Y279-F448 HydrophobicContact CD2-CE1 3.42Å; Y279-F448 VanDerWaalsContact CD2-CE1 3.42Å; Y279-F448 AromaticContact CD2-CZ 3.95Å; Y279-F448 HydrophobicContact CD2-CZ 3.95Å; Y279-F448 AromaticContact CE2-CD1 3.88Å; Y279-F448 HydrophobicContact CE2-CD1 3.88Å; Y279-F448 AromaticContact CE2-CE1 3.61Å; Y279-F448 HydrophobicContact CE2-CE1 3.61Å
280F97.8Very high96.4Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-158.8158.4178.943.3-95.1000112.1F233 R235 A244 L289 A290 V291F233-F280 HydrophobicContact CB-CE1 3.96Å; F233-F280 HydrophobicContact CB-CZ 4.23Å; F233-F280 AromaticContact CD1-CD1 3.87Å; F233-F280 HydrophobicContact CD1-CD1 3.87Å; F233-F280 AromaticContact CD1-CD2 3.9Å; F233-F280 HydrophobicContact CD1-CD2 3.9Å; F233-F280 AromaticContact CD1-CE1 3.63Å; F233-F280 HydrophobicContact CD1-CE1 3.63Å; F233-F280 AromaticContact CD1-CE2 3.67Å; F233-F280 HydrophobicContact CD1-CE2 3.67Å; F233-F280 HydrophobicContact CD1-CG 4.01Å; F233-F280 AromaticContact CD1-CZ 3.54Å; F233-F280 HydrophobicContact CD1-CZ 3.54Å; F233-F280 HydrophobicContact CE1-CD2 4.06Å; F233-F280 HydrophobicContact CE1-CE2 4.02Å; F233-F280 HydrophobicContact CE1-CG 4.41Å; F233-F280 HydrophobicContact CE1-CZ 4.34Å; F233-F280 WeakPolarHBondContact CE1-O 3.41Å; F233-F280 HydrophobicContact CG-CE1 4.26Å; F233-F280 HydrophobicContact CG-CZ 4.24Å; F233-F280 WeakPolarHBondContact O-CZ 3.38Å; R235-F280 HydrophobicContact CB-CD2 4.39Å; R235-F280 HydrophobicContact CB-CE2 3.87Å; A244-F280 HydrophobicContact CB-CD2 3.93Å; A244-F280 HydrophobicContact CB-CE2 3.39Å; A244-F280 HydrophobicContact CB-CZ 3.99Å; A244-F280 WeakPolarHBondContact O-CZ 3.32Å; F280-L289 HydrophobicContact CB-CD1 4.33Å; F280-L289 HydrophobicContact CB-CG 4.35Å; F280-L289 HydrophobicContact CD2-CD1 4.14Å; F280-A290 CarbonylContact C-O 3.52Å; F280-A290 WeakPolarHBondContact CA-O 3.28Å; F280-A290 WeakPolarHBondContact CB-O 3.49Å; F280-V291 HydrophobicContact CB-CB 4.25Å; F280-V291 HydrophobicContact CB-CG1 4.39Å; F280-V291 HydrophobicContact CB-CG2 3.9Å
281A98Very high96.4Very high9 Ų935.5 Ų35.57%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-136.8136.8177.800000110.9A290 V325 W327A281-A290 PolarHBondContact N-O 2.57Å; A281-A290 PolarHBondContact O-N 3.07Å; A281-V325 HydrophobicContact CB-CG1 4.23Å; A281-W327 PolarHBondContact O-NE1 3.03Å
282W98.4Very high96.4Very high12 Ų1229.3 Ų29.35%0.04517%0.167CC..EExtended strand (participates in β ladder)trans-76139.9171.4-66.193.1000109.9R235 F236 R242 A244 I254 D286 L289 M305R235-W282 PolarHBondContact O-NE1 2.7Å; R235-W282 VanDerWaalsContact O-NE1 3.08Å; F236-W282 PolarHBondContact O-NE1 2.97Å; R242-W282 HydrophobicContact CB-CH2 3.78Å; R242-W282 HydrophobicContact CB-CZ2 4.15Å; A244-W282 HydrophobicContact CB-CZ2 3.6Å; I254-W282 HydrophobicContact CD1-CH2 4.19Å; I254-W282 HydrophobicContact CD1-CZ2 4.38Å; I254-W282 HydrophobicContact CG2-CH2 4.11Å; W282-D286 HydrophobicContact CE3-CB 4.35Å; W282-L289 HydrophobicContact CD2-CD1 3.65Å; W282-L289 HydrophobicContact CE3-CD1 4.11Å; W282-L289 HydrophobicContact CG-CD1 3.83Å; W282-L289 HydrophobicContact CZ2-CD1 4.37Å; W282-M305 HydrophobicContact CE3-CG 4.3Å; W282-M305 HydrophobicContact CE3-SD 4.44Å; W282-M305 HydrophobicContact CH2-SD 3.81Å; W282-M305 HydrophobicContact CZ3-CB 4.45Å; W282-M305 HydrophobicContact CZ3-CG 3.67Å; W282-M305 HydrophobicContact CZ3-SD 3.51Å; W282-M305 VanDerWaalsContact CZ3-SD 3.51Å
283S97.7Very high96.4Very high0 Ų027.2 Ų27.20%015%0.146CC..  trans-62.2156.9167.459.70000110.5N238 D285 D286 E287 L288N238-S283 PolarHBondContact ND2-O 3.31Å; S283-D285 WeakPolarHBondContact CB-OD1 3.33Å; S283-D285 PolarHBondContact O-N 3.29Å; S283-D285 PolarHBondContact OG-OD1 2.93Å; S283-D286 PolarHBondContact O-N 2.88Å; S283-E287 PolarHBondContact OG-N 2.85Å; S283-L288 PolarHBondContact N-O 3.02Å; S283-L288 PolarHBondContact OG-N 2.82Å; S283-L288 PolarHBondContact OG-O 3.14Å
284P97.1Very high96.2Very high64 Ų6428.3 Ų28.342%0.41615%0.154SC..THydrogen-bonded Turntrans-56.1-27.5-176.8-2735.9000114.9H328P284-H328 WeakPolarHBondContact CG-O 3.28Å
285D96.9Very high96.1Very high89 Ų8928.5 Ų28.548%0.47615%0.147SC..THydrogen-bonded Turntrans-95.2-0.4179.1578.4000114.5S283 E287S283-D285 WeakPolarHBondContact CB-OD1 3.33Å; S283-D285 PolarHBondContact O-N 3.29Å; S283-D285 PolarHBondContact OG-OD1 2.93Å; D285-E287 HydrophobicContact CB-CG 4.24Å; D285-E287 PolarHBondContact O-N 2.93Å; D285-E287 PolarHBondContact OD1-N 2.94Å
286D97.6Very high95.9Very high18 Ų1831 Ų3110%0.09616%0.16CC..SBendtrans62.512.6-173.6-60.7-26.3000115.5S237 N238 S239 W282 S283S237-D286 WeakPolarHBondContact CB-OD2 3.24Å; S237-D286 PolarHBondContact OG-OD2 3.46Å; N238-D286 VanDerWaalsContact CB-OD1 3.26Å; N238-D286 WeakPolarHBondContact CB-OD1 3.18Å; N238-D286 PolarHBondContact N-OD1 2.85Å; N238-D286 PolarHBondContact N-OD2 2.98Å; N238-D286 PolarHBondContact ND2-OD1 3.15Å; S239-D286 WeakPolarHBondContact CB-OD2 3.48Å; S239-D286 PolarHBondContact N-OD2 3.28Å; S239-D286 PolarHBondContact OG-OD2 2.9Å; W282-D286 HydrophobicContact CE3-CB 4.35Å; S283-D286 PolarHBondContact O-N 2.88Å
287E97.6Very high95.8Very high130 Ų13031 Ų3161%0.60716%0.16SC*.SBendtrans-81.2-26-179.7-64.6-164.9168.400113.5S283 D285 M305S283-E287 PolarHBondContact OG-N 2.85Å; D285-E287 HydrophobicContact CB-CG 4.24Å; D285-E287 PolarHBondContact O-N 2.93Å; D285-E287 PolarHBondContact OD1-N 2.94Å; E287-M305 VanDerWaalsContact O-CB 3.27Å; E287-M305 WeakPolarHBondContact O-CB 3.26Å; E287-M305 WeakPolarHBondContact O-CG 3.29Å; E287-M305 PolarHBondContact O-N 2.91Å
288L98.1Very high95.7Very high25 Ų2531.5 Ų31.513%0.13116%0.164CC..EExtended strand (participates in β ladder)trans-126.3150.3-178.1-59.6174.1000111.3S283 I302 W303 K304 W327 V348S283-L288 PolarHBondContact N-O 3.02Å; S283-L288 PolarHBondContact OG-N 2.82Å; S283-L288 PolarHBondContact OG-O 3.14Å; L288-I302 HydrophobicContact CB-CG2 4.45Å; L288-I302 HydrophobicContact CD1-CG2 4.42Å; L288-I302 HydrophobicContact CD2-CG2 4.34Å; L288-W303 VanDerWaalsContact CA-O 3.28Å; L288-W303 WeakPolarHBondContact CA-O 3.5Å; L288-K304 HydrophobicContact CD2-CG 3.83Å; L288-W327 HydrophobicContact CB-CH2 3.73Å; L288-W327 HydrophobicContact CB-CZ2 3.74Å; L288-W327 HydrophobicContact CD1-CH2 3.66Å; L288-W327 HydrophobicContact CD1-CZ3 4.29Å; L288-W327 HydrophobicContact CG-CH2 4.36Å; L288-V348 HydrophobicContact CD1-CG1 3.74Å
289L98.3Very high95.7Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-125.9121.8170.2-171.275.8000109.2A244 V252 I254 L270 F280 W282 V291 I302 W303 M305A244-L289 HydrophobicContact CB-CD1 4.5Å; A244-L289 HydrophobicContact CB-CD2 4.17Å; V252-L289 HydrophobicContact CG1-CD2 4.13Å; I254-L289 HydrophobicContact CD1-CD2 3.82Å; L270-L289 HydrophobicContact CD1-CD2 4.14Å; F280-L289 HydrophobicContact CB-CD1 4.33Å; F280-L289 HydrophobicContact CB-CG 4.35Å; F280-L289 HydrophobicContact CD2-CD1 4.14Å; W282-L289 HydrophobicContact CD2-CD1 3.65Å; W282-L289 HydrophobicContact CE3-CD1 4.11Å; W282-L289 HydrophobicContact CG-CD1 3.83Å; W282-L289 HydrophobicContact CZ2-CD1 4.37Å; L289-V291 HydrophobicContact CD2-CG2 3.76Å; L289-V291 HydrophobicContact CG-CG2 3.93Å; L289-I302 WeakPolarHBondContact O-CA 3.46Å; L289-W303 PolarHBondContact N-O 2.83Å; L289-W303 PolarHBondContact O-N 2.91Å; L289-M305 HydrophobicContact CB-CE 3.2Å; L289-M305 HydrophobicContact CB-CG 4.39Å; L289-M305 HydrophobicContact CB-SD 4.06Å; L289-M305 HydrophobicContact CD2-CE 3.94Å; L289-M305 HydrophobicContact CG-CE 4.2Å
290A98.1Very high95.6Very high0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-92.3123.917100000108.6F280 A281 L300 W301 V325 W327 M334F280-A290 CarbonylContact C-O 3.52Å; F280-A290 WeakPolarHBondContact CA-O 3.28Å; F280-A290 WeakPolarHBondContact CB-O 3.49Å; A281-A290 PolarHBondContact N-O 2.57Å; A281-A290 PolarHBondContact O-N 3.07Å; A290-L300 HydrophobicContact CB-CD1 4.24Å; A290-W301 CarbonylContact C-O 3.16Å; A290-W301 WeakPolarHBondContact CA-O 3.48Å; A290-V325 HydrophobicContact CB-CG1 4.13Å; A290-V325 HydrophobicContact CB-CG2 3.82Å; A290-W327 HydrophobicContact CB-CZ2 3.83Å; A290-M334 HydrophobicContact CB-CE 4.48Å; A290-M334 HydrophobicContact CB-SD 3.8Å
291V98Very high95.6Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-121.4136.5-177.2-176.20000109.1V252 H273 A277 F280 L289 W301V252-V291 HydrophobicContact CG2-CG1 3.94Å; V252-V291 HydrophobicContact CG2-CG2 4.34Å; H273-V291 VanDerWaalsContact CE1-CG1 3.48Å; H273-V291 WeakPolarHBondContact CE1-CG1 3.31Å; A277-V291 HydrophobicContact CB-CG1 3.95Å; F280-V291 HydrophobicContact CB-CB 4.25Å; F280-V291 HydrophobicContact CB-CG1 4.39Å; F280-V291 HydrophobicContact CB-CG2 3.9Å; L289-V291 HydrophobicContact CD2-CG2 3.76Å; L289-V291 HydrophobicContact CG-CG2 3.93Å; V291-W301 HydrophobicContact CB-CB 4.41Å; V291-W301 PolarHBondContact N-O 3.31Å; V291-W301 PolarHBondContact O-N 3.09Å
292V96.4Very high95.6Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-123151.4174-62.20000110S278 Y279 L300 I322 V325S278-V292 PolarHBondContact N-O 3.47Å; S278-V292 VanDerWaalsContact N-O 3.12Å; Y279-V292 PolarHBondContact N-O 2.92Å; Y279-V292 WeakPolarHBondContact O-CG2 3.5Å; Y279-V292 PolarHBondContact O-N 3.42Å; V292-L300 HydrophobicContact CG1-CD1 3.68Å; V292-I322 HydrophobicContact CB-CG2 4.29Å; V292-I322 HydrophobicContact CG1-CB 4.4Å; V292-I322 HydrophobicContact CG1-CG2 3.68Å; V292-V325 HydrophobicContact CG1-CB 3.95Å; V292-V325 HydrophobicContact CG1-CG1 3.99Å; V292-V325 HydrophobicContact CG2-CG1 4.4Å
293G92.8Very high95.6Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-86.7-174.5-178.700000112.6G276 S278G276-G293 WeakPolarHBondContact O-CA 3.24Å; S278-G293 WeakPolarHBondContact CB-O 3.28Å; S278-G293 PolarHBondContact OG-O 3.25Å
294S91.1Very high95.6Very high25 Ų2534.5 Ų34.518%0.17517%0.174CC..  trans-65.9-179.6171.864.80000112.1F275 E296 S297F275-S294 WeakPolarHBondContact CB-OG 3.12Å; F275-S294 WeakPolarHBondContact O-CB 3.46Å; F275-S294 PolarHBondContact O-OG 3.04Å; S294-E296 PolarHBondContact O-N 2.75Å; S294-S297 WeakPolarHBondContact O-CB 3.44Å; S294-S297 PolarHBondContact O-N 2.8Å
295E86.9Confident95.6Very high110 Ų11031.6 Ų31.651%0.51415%0.154SC..THydrogen-bonded Turntrans-59.4-14-177.6-60-169.2164.700114.4S321E295-S321 VanDerWaalsContact C-OG 3.32Å; E295-S321 WeakPolarHBondContact CA-OG 2.93Å; E295-S321 VanDerWaalsContact O-CB 3.25Å; E295-S321 WeakPolarHBondContact O-CB 2.93Å; E295-S321 PolarHBondContact O-OG 3.02Å
296E90.4Very high95.6Very high138 Ų13831.9 Ų31.965%0.64516%0.164SC*.THydrogen-bonded Turntrans-86.9-11.5175.3-62.3-178.2-179.500113.1F275 S294F275-E296 HydrophobicContact CB-CB 4.47Å; F275-E296 HydrophobicContact CD1-CB 3.8Å; F275-E296 WeakPolarHBondContact CD1-OE2 3.5Å; F275-E296 HydrophobicContact CD2-CB 4.41Å; F275-E296 HydrophobicContact CE1-CB 4.04Å; F275-E296 HydrophobicContact CG-CB 4Å; F275-E296 HydrophobicContact CZ-CB 4.44Å; S294-E296 PolarHBondContact O-N 2.75Å
297S93.1Very high95.5Very high0 Ų035 Ų350%018%0.181CC..  trans-92.3124.6-177.8-1720000112.4S294 D299 W301 I322S294-S297 WeakPolarHBondContact O-CB 3.44Å; S294-S297 PolarHBondContact O-N 2.8Å; S297-D299 VanDerWaalsContact C-N 3.32Å; S297-D299 PolarHBondContact OG-N 3.16Å; S297-W301 WeakPolarHBondContact OG-CH2 3.41Å; S297-I322 PolarHBondContact O-N 2.92Å; S297-I322 VanDerWaalsContact O-N 3.15Å
298A92.9Very high95.4Very high9 Ų929.5 Ų29.57%0.07416%0.158CC..  trans-87.2-5.2167.200000113.2T315 S317 E320 I322A298-T315 HydrophobicContact CB-CG2 4.13Å; A298-S317 VanDerWaalsContact CB-O 3.25Å; A298-S317 WeakPolarHBondContact CB-O 3.38Å; A298-E320 WeakPolarHBondContact CA-O 3.48Å; A298-E320 HydrophobicContact CB-CB 4Å; A298-E320 WeakPolarHBondContact CB-O 3.47Å; A298-I322 WeakPolarHBondContact O-CD1 3.23Å
299D95.1Very high95.4Very high18 Ų1831.3 Ų31.310%0.09617%0.17CC..  trans-92.2136.8-168.5-64.5-32000112.2S297 W301 K313 T315S297-D299 VanDerWaalsContact C-N 3.32Å; S297-D299 PolarHBondContact OG-N 3.16Å; D299-W301 HydrophobicContact CB-CD2 4.2Å; D299-W301 HydrophobicContact CB-CE3 4.11Å; D299-W301 HydrophobicContact CB-CH2 3.37Å; D299-W301 HydrophobicContact CB-CZ2 3.44Å; D299-W301 VanDerWaalsContact CB-CZ2 3.44Å; D299-W301 HydrophobicContact CB-CZ3 3.71Å; D299-W301 VanDerWaalsContact O-CZ3 3.23Å; D299-W301 WeakPolarHBondContact O-CZ3 3.44Å; D299-K313 VanDerWaalsContact OD1-CE 3.31Å; D299-K313 WeakPolarHBondContact OD1-CE 3.4Å; D299-K313 IonicContact OD1-NZ 3.91Å; D299-K313 WeakPolarHBondContact OD2-CE 3.31Å; D299-K313 IonicContact OD2-NZ 2.81Å; D299-K313 PolarHBondContact OD2-NZ 3.23Å; D299-T315 WeakPolarHBondContact OD1-CB 3.43Å; D299-T315 VanDerWaalsContact OD1-CG2 3.31Å; D299-T315 WeakPolarHBondContact OD1-CG2 3.43Å; D299-T315 PolarHBondContact OD1-OG1 2.71Å
300L95.8Very high95.4Very high0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-110.5128.3164.9168.572.9000108.3A290 V292 I302 V314 I322 V325 M334 T346A290-L300 HydrophobicContact CB-CD1 4.24Å; V292-L300 HydrophobicContact CG1-CD1 3.68Å; L300-I302 HydrophobicContact CG-CG1 4.47Å; L300-V314 HydrophobicContact CB-CB 4.26Å; L300-V314 HydrophobicContact CD2-CB 4.36Å; L300-V314 PolarHBondContact N-O 3.1Å; L300-V314 PolarHBondContact O-N 3.28Å; L300-I322 HydrophobicContact CB-CD1 4.29Å; L300-V325 HydrophobicContact CD1-CG2 4.14Å; L300-M334 HydrophobicContact CD1-SD 4.27Å; L300-M334 HydrophobicContact CD2-SD 3.83Å; L300-T346 HydrophobicContact CD2-CG2 4.14Å
301W97.6Very high95.3Very high5 Ų537.2 Ų37.22%0.01920%0.2CC..EExtended strand (participates in β ladder)trans-112.8132.6176-61.1-100.5000110.4H273 A290 V291 S297 D299 L310H273-W301 HydrophobicContact CB-CH2 4.27Å; H273-W301 HydrophobicContact CB-CZ2 4.47Å; H273-W301 AromaticContact CE1-CD2 3.59Å; H273-W301 AromaticContact CE1-CE3 3.78Å; H273-W301 AromaticContact CE1-CG 3.58Å; H273-W301 AromaticContact ND1-CD2 3.2Å; H273-W301 AromaticContact ND1-CE2 3.57Å; H273-W301 AromaticContact ND1-CE3 3.18Å; H273-W301 AromaticContact ND1-CG 3.71Å; H273-W301 AromaticContact ND1-CH2 3.89Å; H273-W301 AromaticContact ND1-CZ2 3.92Å; H273-W301 AromaticContact ND1-CZ3 3.54Å; A290-W301 CarbonylContact C-O 3.16Å; A290-W301 WeakPolarHBondContact CA-O 3.48Å; V291-W301 HydrophobicContact CB-CB 4.41Å; V291-W301 PolarHBondContact N-O 3.31Å; V291-W301 PolarHBondContact O-N 3.09Å; S297-W301 WeakPolarHBondContact OG-CH2 3.41Å; D299-W301 HydrophobicContact CB-CD2 4.2Å; D299-W301 HydrophobicContact CB-CE3 4.11Å; D299-W301 HydrophobicContact CB-CH2 3.37Å; D299-W301 HydrophobicContact CB-CZ2 3.44Å; D299-W301 VanDerWaalsContact CB-CZ2 3.44Å; D299-W301 HydrophobicContact CB-CZ3 3.71Å; D299-W301 VanDerWaalsContact O-CZ3 3.23Å; D299-W301 WeakPolarHBondContact O-CZ3 3.44Å; W301-L310 HydrophobicContact CB-CD1 4.01Å; W301-L310 HydrophobicContact CG-CD1 4.35Å
302I97.6Very high95.2Very high0 Ų041.1 Ų41.10%022%0.217CC..EExtended strand (participates in β ladder)trans-114.6120.9175.4-58.4168000107L288 L289 L300 H311 K312 W327 M334 V348L288-I302 HydrophobicContact CB-CG2 4.45Å; L288-I302 HydrophobicContact CD1-CG2 4.42Å; L288-I302 HydrophobicContact CD2-CG2 4.34Å; L289-I302 WeakPolarHBondContact O-CA 3.46Å; L300-I302 HydrophobicContact CG-CG1 4.47Å; I302-H311 HydrophobicContact CB-CB 4.4Å; I302-H311 HydrophobicContact CG2-CB 4.11Å; I302-H311 WeakPolarHBondContact O-CA 3.25Å; I302-H311 VanDerWaalsContact O-CB 3.24Å; I302-H311 WeakPolarHBondContact O-CB 3.18Å; I302-H311 PolarHBondContact O-N 2.83Å; I302-K312 HydrophobicContact CB-CB 4.43Å; I302-K312 HydrophobicContact CD1-CB 4.5Å; I302-K312 PolarHBondContact N-O 3.24Å; I302-K312 PolarHBondContact O-N 3.35Å; I302-K312 VanDerWaalsContact O-N 3.12Å; I302-W327 HydrophobicContact CG2-CH2 4.44Å; I302-M334 HydrophobicContact CD1-CE 3.48Å; I302-M334 VanDerWaalsContact CD1-CE 3.48Å; I302-M334 HydrophobicContact CD1-SD 4.17Å; I302-M334 HydrophobicContact CG1-CE 3.97Å; I302-M334 HydrophobicContact CG1-SD 4.37Å; I302-V348 HydrophobicContact CD1-CG1 4.25Å; I302-V348 WeakPolarHBondContact CD1-O 3.28Å; I302-V348 HydrophobicContact CG2-CG1 4.05Å
303W98.3Very high95.2Very high18 Ų1845.4 Ų45.47%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-113.6141.3-176-67.192.2000111.4L270 E271 H273 L288 L289 M305 G308 L310L270-W303 HydrophobicContact CB-CD2 3.96Å; L270-W303 HydrophobicContact CB-CE3 4.13Å; L270-W303 HydrophobicContact CB-CH2 4.06Å; L270-W303 HydrophobicContact CB-CZ2 3.87Å; L270-W303 HydrophobicContact CB-CZ3 4.17Å; L270-W303 HydrophobicContact CD1-CB 4.03Å; L270-W303 HydrophobicContact CD1-CD2 4.02Å; L270-W303 HydrophobicContact CD1-CE3 4.47Å; L270-W303 HydrophobicContact CD1-CG 3.81Å; L270-W303 HydrophobicContact CD2-CD2 4.03Å; L270-W303 HydrophobicContact CD2-CE3 3.63Å; L270-W303 HydrophobicContact CD2-CG 4.49Å; L270-W303 HydrophobicContact CD2-CZ3 4.02Å; L270-W303 HydrophobicContact CG-CD2 4.21Å; L270-W303 HydrophobicContact CG-CE3 4.27Å; E271-W303 WeakPolarHBondContact O-CH2 3.3Å; H273-W303 AromaticContact CE1-NE1 3.35Å; H273-W303 PolarHBondContact CE1-NE1 2.84Å; H273-W303 AromaticContact NE2-CE2 3.94Å; H273-W303 AromaticContact NE2-CZ2 3.92Å; H273-W303 AromaticContact NE2-NE1 3.43Å; H273-W303 PolarHBondContact NE2-NE1 3.3Å; L288-W303 VanDerWaalsContact CA-O 3.28Å; L288-W303 WeakPolarHBondContact CA-O 3.5Å; L289-W303 PolarHBondContact N-O 2.83Å; L289-W303 PolarHBondContact O-N 2.91Å; W303-M305 HydrophobicContact CB-CE 3.54Å; W303-G308 WeakPolarHBondContact CZ3-O 3.37Å; W303-L310 HydrophobicContact CD2-CB 4.33Å; W303-L310 HydrophobicContact CD2-CD1 3.99Å; W303-L310 VanDerWaalsContact CE3-CA 3.48Å; W303-L310 HydrophobicContact CE3-CB 3.9Å; W303-L310 HydrophobicContact CE3-CD1 4.41Å; W303-L310 VanDerWaalsContact CE3-N 3.28Å; W303-L310 HydrophobicContact CG-CD1 4.46Å; W303-L310 HydrophobicContact CH2-CB 4.01Å; W303-L310 HydrophobicContact CH2-CD1 4.42Å; W303-L310 HydrophobicContact CZ2-CB 4.43Å; W303-L310 HydrophobicContact CZ2-CD1 3.99Å; W303-L310 HydrophobicContact CZ3-CB 3.73Å
304K97.9Very high95.3Very high76 Ų7645.8 Ų45.833%0.3324%0.238SC..EExtended strand (participates in β ladder)trans-84.2126.2170.7-74177.1-176.1163.20110.4L288 S306 G308 T309 H311L288-K304 HydrophobicContact CD2-CG 3.83Å; K304-S306 VanDerWaalsContact C-N 3.3Å; K304-G308 WeakPolarHBondContact O-CA 3.43Å; K304-G308 PolarHBondContact O-N 2.9Å; K304-T309 PolarHBondContact N-O 3.26Å; K304-H311 WeakPolarHBondContact CE-ND1 3.41Å; K304-H311 HydrophobicContact CG-CB 4.13Å; K304-H311 PolarHBondContact NZ-ND1 3.07Å; K304-H311 VanDerWaalsContact NZ-ND1 3.16Å
305M97.4Very high95.4Very high2 Ų247.8 Ų47.81%0.0125%0.249CC..THydrogen-bonded Turntrans-87.4-2.2-178.6-61.9-70.2124.700112.4R242 I254 L270 W282 E287 L289 W303R242-M305 PolarHBondContact NH1-O 2.96Å; I254-M305 HydrophobicContact CD1-CE 4.34Å; I254-M305 HydrophobicContact CD1-SD 4.09Å; I254-M305 HydrophobicContact CG1-CE 4.42Å; I254-M305 HydrophobicContact CG1-SD 4.11Å; L270-M305 HydrophobicContact CD1-CE 3.76Å; W282-M305 HydrophobicContact CE3-CG 4.3Å; W282-M305 HydrophobicContact CE3-SD 4.44Å; W282-M305 HydrophobicContact CH2-SD 3.81Å; W282-M305 HydrophobicContact CZ3-CB 4.45Å; W282-M305 HydrophobicContact CZ3-CG 3.67Å; W282-M305 HydrophobicContact CZ3-SD 3.51Å; W282-M305 VanDerWaalsContact CZ3-SD 3.51Å; E287-M305 VanDerWaalsContact O-CB 3.27Å; E287-M305 WeakPolarHBondContact O-CB 3.26Å; E287-M305 WeakPolarHBondContact O-CG 3.29Å; E287-M305 PolarHBondContact O-N 2.91Å; L289-M305 HydrophobicContact CB-CE 3.2Å; L289-M305 HydrophobicContact CB-CG 4.39Å; L289-M305 HydrophobicContact CB-SD 4.06Å; L289-M305 HydrophobicContact CD2-CE 3.94Å; L289-M305 HydrophobicContact CG-CE 4.2Å; W303-M305 HydrophobicContact CB-CE 3.54Å
306S96.2Very high95.6Very high96 Ų9645.4 Ų45.467%0.67124%0.238SC*.THydrogen-bonded Turntrans-72.4-40.5172.850.90000112.4K304K304-S306 VanDerWaalsContact C-N 3.3Å
307D96Very high95.6Very high84 Ų8440.7 Ų40.745%0.44922%0.22SC..THydrogen-bonded Turntrans-135.1-1.4-172.4603.9000113.9F268 T309F268-D307 WeakPolarHBondContact CE1-O 3.3Å; D307-T309 VanDerWaalsContact C-N 3.27Å; D307-T309 HydrophobicContact CB-CG2 4.23Å; D307-T309 VanDerWaalsContact CG-CG2 3.41Å; D307-T309 VanDerWaalsContact CG-OG1 3.24Å; D307-T309 PolarHBondContact O-N 3.38Å; D307-T309 WeakPolarHBondContact OD1-CB 3.38Å; D307-T309 WeakPolarHBondContact OD1-CG2 3.43Å; D307-T309 PolarHBondContact OD1-N 3.28Å; D307-T309 PolarHBondContact OD1-OG1 3.22Å; D307-T309 WeakPolarHBondContact OD2-CG2 3.38Å; D307-T309 PolarHBondContact OD2-OG1 2.92Å
308G96.2Very high95.3Very high14 Ų1446 Ų4614%0.14425%0.254CS..  trans73.717.6-17900000113.4L270 W303 K304L270-G308 WeakPolarHBondContact CD2-O 3.45Å; W303-G308 WeakPolarHBondContact CZ3-O 3.37Å; K304-G308 WeakPolarHBondContact O-CA 3.43Å; K304-G308 PolarHBondContact O-N 2.9Å
309T97.3Very high95.1Very high62 Ų6251.5 Ų51.538%0.3828%0.283SS..  trans-87.6149.2-179.263.40000112.3K304 D307 H311K304-T309 PolarHBondContact N-O 3.26Å; D307-T309 VanDerWaalsContact C-N 3.27Å; D307-T309 HydrophobicContact CB-CG2 4.23Å; D307-T309 VanDerWaalsContact CG-CG2 3.41Å; D307-T309 VanDerWaalsContact CG-OG1 3.24Å; D307-T309 PolarHBondContact O-N 3.38Å; D307-T309 WeakPolarHBondContact OD1-CB 3.38Å; D307-T309 WeakPolarHBondContact OD1-CG2 3.43Å; D307-T309 PolarHBondContact OD1-N 3.28Å; D307-T309 PolarHBondContact OD1-OG1 3.22Å; D307-T309 WeakPolarHBondContact OD2-CG2 3.38Å; D307-T309 PolarHBondContact OD2-OG1 2.92Å; T309-H311 PolarHBondContact O-N 3.32Å
310L97.7Very high94.8Very high75 Ų7552 Ų5239%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-70.7114.9173.3-179.467.2000108.7W301 W303 K312 K313W301-L310 HydrophobicContact CB-CD1 4.01Å; W301-L310 HydrophobicContact CG-CD1 4.35Å; W303-L310 HydrophobicContact CD2-CB 4.33Å; W303-L310 HydrophobicContact CD2-CD1 3.99Å; W303-L310 VanDerWaalsContact CE3-CA 3.48Å; W303-L310 HydrophobicContact CE3-CB 3.9Å; W303-L310 HydrophobicContact CE3-CD1 4.41Å; W303-L310 VanDerWaalsContact CE3-N 3.28Å; W303-L310 HydrophobicContact CG-CD1 4.46Å; W303-L310 HydrophobicContact CH2-CB 4.01Å; W303-L310 HydrophobicContact CH2-CD1 4.42Å; W303-L310 HydrophobicContact CZ2-CB 4.43Å; W303-L310 HydrophobicContact CZ2-CD1 3.99Å; W303-L310 HydrophobicContact CZ3-CB 3.73Å; L310-K312 WeakPolarHBondContact CD1-O 3.08Å; L310-K313 HydrophobicContact CD2-CB 4.22Å
311H96.5Very high94.6Very high50 Ų5052 Ų5223%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-70-53.1171.6-178.564.3000110.1I302 K304 T309 E349I302-H311 HydrophobicContact CB-CB 4.4Å; I302-H311 HydrophobicContact CG2-CB 4.11Å; I302-H311 WeakPolarHBondContact O-CA 3.25Å; I302-H311 VanDerWaalsContact O-CB 3.24Å; I302-H311 WeakPolarHBondContact O-CB 3.18Å; I302-H311 PolarHBondContact O-N 2.83Å; K304-H311 WeakPolarHBondContact CE-ND1 3.41Å; K304-H311 HydrophobicContact CG-CB 4.13Å; K304-H311 PolarHBondContact NZ-ND1 3.07Å; K304-H311 VanDerWaalsContact NZ-ND1 3.16Å; T309-H311 PolarHBondContact O-N 3.32Å; H311-E349 IonicContact CE1-OE1 3.34Å; H311-E349 PolarHBondContact CE1-OE1 2.7Å; H311-E349 IonicContact NE2-OE1 3.57Å; H311-E349 PolarHBondContact NE2-OE1 2.96Å; H311-E349 IonicContact NE2-OE2 3.07Å
312K96.1Very high94.5Very high81 Ų8151.8 Ų51.835%0.35228%0.284SS..EExtended strand (participates in β ladder)trans-153.9138.1-174.2-16673.2178.1-150.10111.3I302 L310 V314 E349I302-K312 HydrophobicContact CB-CB 4.43Å; I302-K312 HydrophobicContact CD1-CB 4.5Å; I302-K312 PolarHBondContact N-O 3.24Å; I302-K312 PolarHBondContact O-N 3.35Å; I302-K312 VanDerWaalsContact O-N 3.12Å; L310-K312 WeakPolarHBondContact CD1-O 3.08Å; K312-V314 HydrophobicContact CB-CG2 4.42Å; K312-V314 HydrophobicContact CG-CG2 3.6Å; K312-E349 VanDerWaalsContact CE-O 3.24Å; K312-E349 WeakPolarHBondContact CE-O 3.32Å; K312-E349 PolarHBondContact NZ-O 2.75Å
313K95.7Very high94.2Very high90 Ų9052.7 Ų52.739%0.39129%0.29SS..EExtended strand (participates in β ladder)trans-105.3124.3160.1-177.3179.7-179179.60107.9D299 L310D299-K313 VanDerWaalsContact OD1-CE 3.31Å; D299-K313 WeakPolarHBondContact OD1-CE 3.4Å; D299-K313 IonicContact OD1-NZ 3.91Å; D299-K313 WeakPolarHBondContact OD2-CE 3.31Å; D299-K313 IonicContact OD2-NZ 2.81Å; D299-K313 PolarHBondContact OD2-NZ 3.23Å; L310-K313 HydrophobicContact CD2-CB 4.22Å
314V95Very high94.1Very high8 Ų851.9 Ų51.95%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-114.6126.7-177.8-175.10000108.2L300 K312 H316 G350L300-V314 HydrophobicContact CB-CB 4.26Å; L300-V314 HydrophobicContact CD2-CB 4.36Å; L300-V314 PolarHBondContact N-O 3.1Å; L300-V314 PolarHBondContact O-N 3.28Å; K312-V314 HydrophobicContact CB-CG2 4.42Å; K312-V314 HydrophobicContact CG-CG2 3.6Å; V314-H316 WeakPolarHBondContact CG1-NE2 3.47Å; V314-G350 VanDerWaalsContact CG2-CA 3.48Å
315T94.4Very high94Very high67 Ų6748.3 Ų48.341%0.41127%0.272SS..  trans-141.1109.4175.7-42.60000106.6A298 D299A298-T315 HydrophobicContact CB-CG2 4.13Å; D299-T315 WeakPolarHBondContact OD1-CB 3.43Å; D299-T315 VanDerWaalsContact OD1-CG2 3.31Å; D299-T315 WeakPolarHBondContact OD1-CG2 3.43Å; D299-T315 PolarHBondContact OD1-OG1 2.71Å
316H91.4Very high94Very high61 Ų6148.9 Ų48.928%0.28228%0.276SS..SBendtrans-85.6-41.1-178.9-61.8-73.1000111.9V314 Y344 G350 I352V314-H316 WeakPolarHBondContact CG1-NE2 3.47Å; H316-Y344 AromaticContact CD2-CE2 3.87Å; H316-Y344 AromaticContact CD2-CZ 3.67Å; H316-Y344 PolarHBondContact CD2-OH 2.77Å; H316-Y344 AromaticContact NE2-CE2 3.65Å; H316-Y344 AromaticContact NE2-CZ 3.96Å; H316-G350 PolarHBondContact CE1-O 3.34Å; H316-I352 HydrophobicContact CB-CD1 4.44Å; H316-I352 WeakPolarHBondContact CE1-CG1 3.48Å
317S89.8Confident94.1Very high38 Ų3845.1 Ų45.127%0.26625%0.247SC..  trans-147.3149.6169.471.70000111.5A298 D319 E320A298-S317 VanDerWaalsContact CB-O 3.25Å; A298-S317 WeakPolarHBondContact CB-O 3.38Å; S317-D319 PolarHBondContact O-N 3.45Å; S317-E320 WeakPolarHBondContact CB-OE1 3.4Å; S317-E320 PolarHBondContact N-OE1 3.17Å; S317-E320 PolarHBondContact O-N 2.97Å; S317-E320 WeakPolarHBondContact OG-CG 3.12Å; S317-E320 PolarHBondContact OG-OE1 3.09Å
318P87Confident94.1Very high111 Ų11142 Ų4272%0.72123%0.23SC*.THydrogen-bonded Turntrans-70.7-15.3-177.429.4-36.2000113.9
319D87.9Confident94Very high126 Ų12644 Ų4467%0.67424%0.242SC*.THydrogen-bonded Turntrans-91.7-6-178.3-61.9-50.2000113S317 R340S317-D319 PolarHBondContact O-N 3.45Å; D319-R340 PolarHBondContact O-NH1 2.81Å
320E89.9Confident93.8Very high27 Ų2744 Ų4413%0.12624%0.24CC..  trans-68.4158.2176.7-81.3163.8-144.700112.7A298 S317 Q342A298-E320 WeakPolarHBondContact CA-O 3.48Å; A298-E320 HydrophobicContact CB-CB 4Å; A298-E320 WeakPolarHBondContact CB-O 3.47Å; S317-E320 WeakPolarHBondContact CB-OE1 3.4Å; S317-E320 PolarHBondContact N-OE1 3.17Å; S317-E320 PolarHBondContact O-N 2.97Å; S317-E320 WeakPolarHBondContact OG-CG 3.12Å; S317-E320 PolarHBondContact OG-OE1 3.09Å; E320-Q342 HydrophobicContact CB-CG 4.14Å; E320-Q342 HydrophobicContact CG-CG 3.63Å
321S91.8Very high93.6Very high0 Ų041 Ų410%023%0.226CC..  trans-141.3104.1177175.30000107.1E295 G338 Q342E295-S321 VanDerWaalsContact C-OG 3.32Å; E295-S321 WeakPolarHBondContact CA-OG 2.93Å; E295-S321 VanDerWaalsContact O-CB 3.25Å; E295-S321 WeakPolarHBondContact O-CB 2.93Å; E295-S321 PolarHBondContact O-OG 3.02Å; S321-G338 WeakPolarHBondContact O-CA 3.34Å; S321-Q342 PolarHBondContact O-OE1 3.39Å
322I93.6Very high93.6Very high1 Ų144.1 Ų44.11%0.00524%0.244CC..  trans-101.7111.5-178.5-52.6171.1000107.6V292 S297 A298 L300 C336 Y344V292-I322 HydrophobicContact CB-CG2 4.29Å; V292-I322 HydrophobicContact CG1-CB 4.4Å; V292-I322 HydrophobicContact CG1-CG2 3.68Å; S297-I322 PolarHBondContact O-N 2.92Å; S297-I322 VanDerWaalsContact O-N 3.15Å; A298-I322 WeakPolarHBondContact O-CD1 3.23Å; L300-I322 HydrophobicContact CB-CD1 4.29Å; I322-C336 HydrophobicContact CG2-CB 3.99Å; I322-Y344 WeakPolarHBondContact CD1-OH 3.46Å
323S92.5Very high93.6Very high20 Ų2043.8 Ų43.814%0.1424%0.24CC..  trans-103.4-14.8-17661.10000113.6G337 V361S323-G337 PolarHBondContact N-O 2.92Å; S323-G337 PolarHBondContact OG-O 3.17Å; S323-V361 PolarHBondContact OG-O 3.14Å
324C95.3Very high93.6Very high1 Ų139.5 Ų39.51%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-148.5154178.864.80000112.8Y279 C336 G337 R362Y279-C324 HydrophobicContact CD1-CB 4.39Å; C324-C336 WeakPolarHBondContact O-CA 3.46Å; C324-G337 PolarHBondContact N-O 3.25Å; C324-G337 PolarHBondContact O-N 3.19Å; C324-G337 VanDerWaalsContact SG-CA 3.59Å; C324-G337 PolarHBondContact SG-O 2.87Å; C324-R362 WeakPolarHBondContact CB-O 3.48Å
325V97Very high93.7Very high1 Ų139.1 Ų39.11%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-142.7143.1177.562.90000110.4Y279 A281 A290 V292 L300 M334 V335Y279-V325 HydrophobicContact CD1-CG1 4.37Å; Y279-V325 WeakPolarHBondContact CE1-O 3.3Å; A281-V325 HydrophobicContact CB-CG1 4.23Å; A290-V325 HydrophobicContact CB-CG1 4.13Å; A290-V325 HydrophobicContact CB-CG2 3.82Å; V292-V325 HydrophobicContact CG1-CB 3.95Å; V292-V325 HydrophobicContact CG1-CG1 3.99Å; V292-V325 HydrophobicContact CG2-CG1 4.4Å; L300-V325 HydrophobicContact CD1-CG2 4.14Å; V325-M334 HydrophobicContact CG2-CB 4.22Å; V325-M334 HydrophobicContact CG2-CG 4.24Å; V325-M334 HydrophobicContact CG2-SD 3.95Å; V325-V335 CarbonylContact C-O 3.54Å; V325-V335 WeakPolarHBondContact CA-O 3.48Å
326S97.4Very high93.8Very high14 Ų1435.9 Ų35.910%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-143.3128.9176.2-173.60000110.7M334 V335 A364 H365 C366S326-M334 CarbonylContact O-C 3.53Å; S326-M334 VanDerWaalsContact O-CA 3.29Å; S326-M334 WeakPolarHBondContact O-CA 3.13Å; S326-M334 WeakPolarHBondContact O-CB 3.5Å; S326-V335 PolarHBondContact N-O 2.92Å; S326-V335 PolarHBondContact O-N 2.73Å; S326-A364 WeakPolarHBondContact CB-O 3.2Å; S326-H365 WeakPolarHBondContact OG-CA 3.15Å; S326-C366 PolarHBondContact OG-N 3.3Å
327W97.6Very high93.9Very high17 Ų1733 Ų336%0.06419%0.186CC..EExtended strand (participates in β ladder)trans-71.9139.2178.3-74.791000111.7A281 L288 A290 I302 G331 M334 V348 C366A281-W327 PolarHBondContact O-NE1 3.03Å; L288-W327 HydrophobicContact CB-CH2 3.73Å; L288-W327 HydrophobicContact CB-CZ2 3.74Å; L288-W327 HydrophobicContact CD1-CH2 3.66Å; L288-W327 HydrophobicContact CD1-CZ3 4.29Å; L288-W327 HydrophobicContact CG-CH2 4.36Å; A290-W327 HydrophobicContact CB-CZ2 3.83Å; I302-W327 HydrophobicContact CG2-CH2 4.44Å; W327-G331 WeakPolarHBondContact CZ3-O 3.3Å; W327-M334 HydrophobicContact CD2-CB 4.42Å; W327-M334 HydrophobicContact CD2-CE 4.43Å; W327-M334 HydrophobicContact CE3-CB 4.41Å; W327-M334 HydrophobicContact CE3-CE 4.1Å; W327-M334 HydrophobicContact CH2-CE 3.33Å; W327-M334 HydrophobicContact CZ2-CE 3.7Å; W327-M334 HydrophobicContact CZ3-CE 3.56Å; W327-V348 HydrophobicContact CH2-CG1 4.49Å; W327-V348 HydrophobicContact CH2-CG2 4.35Å; W327-V348 HydrophobicContact CZ3-CG2 3.95Å; W327-C366 WeakPolarHBondContact O-CB 3.39Å
328H95.9Very high94.1Very high18 Ų1831.2 Ų31.28%0.08317%0.174CC..  trans-71153.9166.9-170.1-95.2000110.1P284 D330 G331 R333 G370P284-H328 WeakPolarHBondContact CG-O 3.28Å; H328-D330 IonicContact CE1-OD2 3.52Å; H328-D330 PolarHBondContact CE1-OD2 3.35Å; H328-D330 IonicContact CG-OD1 3.74Å; H328-D330 PolarHBondContact ND1-N 2.67Å; H328-D330 IonicContact ND1-OD1 2.69Å; H328-D330 PolarHBondContact ND1-OD1 3.19Å; H328-D330 IonicContact ND1-OD2 2.86Å; H328-D330 PolarHBondContact ND1-OD2 3.43Å; H328-D330 PolarHBondContact O-N 2.85Å; H328-D330 VanDerWaalsContact O-N 3.15Å; H328-G331 PolarHBondContact O-N 3.05Å; H328-R333 HydrophobicContact CB-CB 3.9Å; H328-R333 WeakPolarHBondContact CB-O 3.49Å; H328-R333 PolarHBondContact CE1-NH2 3.5Å; H328-R333 VanDerWaalsContact CE1-NH2 3.32Å; H328-R333 PolarHBondContact N-O 3.1Å; H328-G370 PolarHBondContact CE1-O 2.85Å; H328-G370 WeakPolarHBondContact NE2-CA 3.38Å; H328-G370 PolarHBondContact NE2-O 3.46Å
329S93.6Very high94.3Very high57 Ų5727 Ų2740%0.39915%0.146SC..THydrogen-bonded Turntrans-66.4-16-174.756.50000114.4G331 H368 G370S329-G331 VanDerWaalsContact C-N 3.34Å; S329-H368 PolarHBondContact OG-O 2.85Å; S329-G370 VanDerWaalsContact OG-CA 3.32Å; S329-G370 WeakPolarHBondContact OG-CA 3.33Å
330D93.5Very high94.5Very high62 Ų6228.3 Ų28.333%0.33214%0.142SC..THydrogen-bonded Turntrans-79-13.6173.662.710.1000113.8H328 L332 R333H328-D330 IonicContact CE1-OD2 3.52Å; H328-D330 PolarHBondContact CE1-OD2 3.35Å; H328-D330 IonicContact CG-OD1 3.74Å; H328-D330 PolarHBondContact ND1-N 2.67Å; H328-D330 IonicContact ND1-OD1 2.69Å; H328-D330 PolarHBondContact ND1-OD1 3.19Å; H328-D330 IonicContact ND1-OD2 2.86Å; H328-D330 PolarHBondContact ND1-OD2 3.43Å; H328-D330 PolarHBondContact O-N 2.85Å; H328-D330 VanDerWaalsContact O-N 3.15Å; D330-L332 PolarHBondContact O-N 3.31Å; D330-L332 PolarHBondContact OD1-N 3.01Å; D330-R333 PolarHBondContact OD1-N 3.03Å; D330-R333 IonicContact OD2-CZ 3.97Å; D330-R333 IonicContact OD2-NE 3.31Å; D330-R333 PolarHBondContact OD2-NE 3.18Å; D330-R333 IonicContact OD2-NH2 3.24Å; D330-R333 PolarHBondContact OD2-NH2 3.01Å
331G94.7Very high94.6Very high10 Ų1027.7 Ų27.710%0.10314%0.143CC..SBendtrans68.65.3-174.700000115W327 H328 S329W327-G331 WeakPolarHBondContact CZ3-O 3.3Å; H328-G331 PolarHBondContact O-N 3.05Å; S329-G331 VanDerWaalsContact C-N 3.34Å
332L95.2Very high94.7Very high117 Ų11729.2 Ų29.261%0.61315%0.149SC*.SBendtrans-107.2-14.5-178.3-62.5178.6000112.9D330 D347 V348D330-L332 PolarHBondContact O-N 3.31Å; D330-L332 PolarHBondContact OD1-N 3.01Å; L332-D347 WeakPolarHBondContact O-CA 3.43Å; L332-V348 VanDerWaalsContact C-CG2 3.49Å; L332-V348 WeakPolarHBondContact O-CG2 3.2Å; L332-V348 PolarHBondContact O-N 2.62Å; L332-V348 VanDerWaalsContact O-N 3.12Å
333R95.6Very high94.8Very high73 Ų7329.2 Ų29.228%0.27515%0.149SC..EExtended strand (participates in β ladder)trans-132.2161179.5-65.9175.8-72169.61.4110.5H328 D330 L345 T346 D347H328-R333 HydrophobicContact CB-CB 3.9Å; H328-R333 WeakPolarHBondContact CB-O 3.49Å; H328-R333 PolarHBondContact CE1-NH2 3.5Å; H328-R333 VanDerWaalsContact CE1-NH2 3.32Å; H328-R333 PolarHBondContact N-O 3.1Å; D330-R333 PolarHBondContact OD1-N 3.03Å; D330-R333 IonicContact OD2-CZ 3.97Å; D330-R333 IonicContact OD2-NE 3.31Å; D330-R333 PolarHBondContact OD2-NE 3.18Å; D330-R333 IonicContact OD2-NH2 3.24Å; D330-R333 PolarHBondContact OD2-NH2 3.01Å; R333-L345 HydrophobicContact CB-CD1 3.95Å; R333-L345 HydrophobicContact CB-CG 4.47Å; R333-T346 CarbonylContact C-O 3.35Å; R333-T346 VanDerWaalsContact CA-O 3.25Å; R333-T346 WeakPolarHBondContact CA-O 3.34Å; R333-D347 HydrophobicContact CG-CB 4.47Å
334M96.3Very high94.9Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-147.8148.5175.164.1-168.482.100110.3A290 L300 I302 V325 S326 W327 T346A290-M334 HydrophobicContact CB-CE 4.48Å; A290-M334 HydrophobicContact CB-SD 3.8Å; L300-M334 HydrophobicContact CD1-SD 4.27Å; L300-M334 HydrophobicContact CD2-SD 3.83Å; I302-M334 HydrophobicContact CD1-CE 3.48Å; I302-M334 VanDerWaalsContact CD1-CE 3.48Å; I302-M334 HydrophobicContact CD1-SD 4.17Å; I302-M334 HydrophobicContact CG1-CE 3.97Å; I302-M334 HydrophobicContact CG1-SD 4.37Å; V325-M334 HydrophobicContact CG2-CB 4.22Å; V325-M334 HydrophobicContact CG2-CG 4.24Å; V325-M334 HydrophobicContact CG2-SD 3.95Å; S326-M334 CarbonylContact O-C 3.53Å; S326-M334 VanDerWaalsContact O-CA 3.29Å; S326-M334 WeakPolarHBondContact O-CA 3.13Å; S326-M334 WeakPolarHBondContact O-CB 3.5Å; W327-M334 HydrophobicContact CD2-CB 4.42Å; W327-M334 HydrophobicContact CD2-CE 4.43Å; W327-M334 HydrophobicContact CE3-CB 4.41Å; W327-M334 HydrophobicContact CE3-CE 4.1Å; W327-M334 HydrophobicContact CH2-CE 3.33Å; W327-M334 HydrophobicContact CZ2-CE 3.7Å; W327-M334 HydrophobicContact CZ3-CE 3.56Å; M334-T346 HydrophobicContact CG-CG2 3.44Å; M334-T346 VanDerWaalsContact CG-CG2 3.44Å; M334-T346 PolarHBondContact N-O 2.9Å; M334-T346 PolarHBondContact O-N 2.86Å; M334-T346 HydrophobicContact SD-CG2 4.3Å
335V96.7Very high95Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-98.1130174.91770000108.6V325 S326 F343 Y344 L345 A364 C366 V373 F387V325-V335 CarbonylContact C-O 3.54Å; V325-V335 WeakPolarHBondContact CA-O 3.48Å; S326-V335 PolarHBondContact N-O 2.92Å; S326-V335 PolarHBondContact O-N 2.73Å; V335-F343 HydrophobicContact CG1-CD2 3.91Å; V335-F343 HydrophobicContact CG1-CE2 3.38Å; V335-F343 HydrophobicContact CG1-CZ 4.31Å; V335-Y344 WeakPolarHBondContact CA-O 3.49Å; V335-L345 HydrophobicContact CG2-CD1 3.59Å; V335-A364 HydrophobicContact CG1-CB 4.36Å; V335-C366 WeakPolarHBondContact CG2-SG 3.35Å; V335-V373 HydrophobicContact CG1-CG1 4.17Å; V335-V373 HydrophobicContact CG2-CG1 4.44Å; V335-V373 HydrophobicContact CG2-CG2 3.9Å; V335-F387 HydrophobicContact CG1-CE2 4.4Å; V335-F387 HydrophobicContact CG1-CZ 4.13Å; V335-F387 HydrophobicContact CG2-CE2 4.2Å; V335-F387 HydrophobicContact CG2-CZ 4.33Å
336C96.1Very high94.9Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-112140.2175.9-61.60000109.1I322 C324 F343 Y344I322-C336 HydrophobicContact CG2-CB 3.99Å; C324-C336 WeakPolarHBondContact O-CA 3.46Å; C336-F343 WeakPolarHBondContact O-CA 3.31Å; C336-Y344 HydrophobicContact CB-CD2 4.34Å; C336-Y344 HydrophobicContact CB-CE1 4.4Å; C336-Y344 HydrophobicContact CB-CE2 3.81Å; C336-Y344 PolarHBondContact N-O 2.82Å; C336-Y344 PolarHBondContact O-N 2.84Å
337G95Very high94.8Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-137.4149.418000000111.8S323 C324 Q342S323-G337 PolarHBondContact N-O 2.92Å; S323-G337 PolarHBondContact OG-O 3.17Å; C324-G337 PolarHBondContact N-O 3.25Å; C324-G337 PolarHBondContact O-N 3.19Å; C324-G337 VanDerWaalsContact SG-CA 3.59Å; C324-G337 PolarHBondContact SG-O 2.87Å; G337-Q342 CarbonylContact C-O 3.59Å; G337-Q342 WeakPolarHBondContact CA-O 3.35Å
338G94.1Very high94.8Very high0 Ų030 Ų300%015%0.152CC..  trans-144.6151-174.700000113.7S321 R340 G341 Q342 R360 V361S321-G338 WeakPolarHBondContact O-CA 3.34Å; G338-R340 PolarHBondContact O-N 2.78Å; G338-G341 PolarHBondContact O-N 2.79Å; G338-Q342 PolarHBondContact N-O 3.49Å; G338-R360 CarbonylContact O-C 3.47Å; G338-R360 WeakPolarHBondContact O-CA 3.49Å; G338-V361 CarbonylContact C-O 3.58Å; G338-V361 PolarHBondContact N-O 3.22Å; G338-V361 PolarHBondContact O-N 3.01Å
339T90.6Very high94.7Very high24 Ų2433.3 Ų33.315%0.14717%0.168CC..THydrogen-bonded Turntrans-72.9-15.1179.758.50000113.1R360T339-R360 WeakPolarHBondContact O-CB 3.49Å; T339-R360 WeakPolarHBondContact O-CD 3.37Å; T339-R360 VanDerWaalsContact O-CG 3.31Å; T339-R360 WeakPolarHBondContact O-CG 3.39Å
340R92Very high94.7Very high153 Ų15331.1 Ų31.158%0.57716%0.155SC*.THydrogen-bonded Turntrans-93.79177.3-62.7-174.4-178.2177.21.1114.1D319 G338 Q342D319-R340 PolarHBondContact O-NH1 2.81Å; G338-R340 PolarHBondContact O-N 2.78Å; R340-Q342 VanDerWaalsContact C-OE1 3.25Å; R340-Q342 VanDerWaalsContact CB-OE1 3.32Å
341G92.4Very high94.8Very high14 Ų1432.7 Ų32.714%0.14416%0.163CC..SBendtrans103.78.5173.300000114.9G338 G358 I359G338-G341 PolarHBondContact O-N 2.79Å; G341-G358 PolarHBondContact O-N 2.84Å; G341-I359 CarbonylContact C-O 3.45Å; G341-I359 WeakPolarHBondContact CA-O 3.38Å
342Q93.4Very high94.8Very high31 Ų3136 Ų3615%0.14518%0.178CC..  trans-75.3123.9171.6-6470.826.300109.1E320 S321 G337 G338 R340 Y344E320-Q342 HydrophobicContact CB-CG 4.14Å; E320-Q342 HydrophobicContact CG-CG 3.63Å; S321-Q342 PolarHBondContact O-OE1 3.39Å; G337-Q342 CarbonylContact C-O 3.59Å; G337-Q342 WeakPolarHBondContact CA-O 3.35Å; G338-Q342 PolarHBondContact N-O 3.49Å; R340-Q342 VanDerWaalsContact C-OE1 3.25Å; R340-Q342 VanDerWaalsContact CB-OE1 3.32Å; Q342-Y344 HydrophobicContact CB-CD1 4.37Å; Q342-Y344 HydrophobicContact CB-CE1 4.09Å
343F95.9Very high94.8Very high1 Ų133.6 Ų33.60%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-153.6102.8168.4-175.7-143.2000109.5V335 C336 W356 I359 V361 A364 V373 A375 Y385 F387V335-F343 HydrophobicContact CG1-CD2 3.91Å; V335-F343 HydrophobicContact CG1-CE2 3.38Å; V335-F343 HydrophobicContact CG1-CZ 4.31Å; C336-F343 WeakPolarHBondContact O-CA 3.31Å; F343-W356 HydrophobicContact CB-CB 4.15Å; F343-W356 HydrophobicContact CD1-CB 3.5Å; F343-W356 AromaticContact CD1-CD1 3.86Å; F343-W356 AromaticContact CD1-CG 3.78Å; F343-W356 HydrophobicContact CD1-CG 3.78Å; F343-W356 HydrophobicContact CE1-CB 4.29Å; F343-W356 AromaticContact CE1-CD1 3.87Å; F343-W356 HydrophobicContact CE1-CG 4.08Å; F343-W356 HydrophobicContact CG-CB 4.18Å; F343-W356 PolarHBondContact O-N 3.08Å; F343-I359 HydrophobicContact CB-CB 4.27Å; F343-I359 HydrophobicContact CD1-CB 4.16Å; F343-I359 HydrophobicContact CD1-CD1 4.23Å; F343-I359 HydrophobicContact CD1-CG2 4.18Å; F343-V361 HydrophobicContact CB-CG2 3.94Å; F343-V361 HydrophobicContact CD1-CG2 4.06Å; F343-V361 HydrophobicContact CD2-CG2 3.78Å; F343-V361 HydrophobicContact CE2-CG2 4.25Å; F343-V361 HydrophobicContact CG-CG2 3.67Å; F343-A364 HydrophobicContact CE2-CB 4.39Å; F343-V373 HydrophobicContact CE2-CG1 4.32Å; F343-V373 HydrophobicContact CZ-CG1 4.09Å; F343-A375 HydrophobicContact CE1-CB 4.45Å; F343-A375 HydrophobicContact CE2-CB 4.13Å; F343-A375 HydrophobicContact CZ-CB 3.83Å; F343-Y385 HydrophobicContact CE1-CD1 4.02Å; F343-Y385 AromaticContact CE1-CD2 3.64Å; F343-Y385 HydrophobicContact CE1-CD2 3.64Å; F343-Y385 HydrophobicContact CE1-CE1 4.32Å; F343-Y385 AromaticContact CE1-CE2 3.95Å; F343-Y385 HydrophobicContact CE1-CE2 3.95Å; F343-Y385 AromaticContact CE1-CG 3.66Å; F343-Y385 HydrophobicContact CE1-CG 3.66Å; F343-Y385 AromaticContact CZ-CD2 3.89Å; F343-Y385 HydrophobicContact CZ-CD2 3.89Å; F343-Y385 HydrophobicContact CZ-CE2 4.39Å; F343-Y385 HydrophobicContact CZ-CG 4.17Å; F343-F387 HydrophobicContact CD2-CZ 4.5Å; F343-F387 HydrophobicContact CE1-CE2 4.35Å; F343-F387 HydrophobicContact CE1-CZ 4.16Å; F343-F387 HydrophobicContact CE2-CE2 4.41Å; F343-F387 HydrophobicContact CE2-CZ 4.1Å; F343-F387 AromaticContact CZ-CE2 3.92Å; F343-F387 HydrophobicContact CZ-CE2 3.92Å; F343-F387 AromaticContact CZ-CZ 3.89Å; F343-F387 HydrophobicContact CZ-CZ 3.89Å
344Y95.5Very high94.7Very high7 Ų734.2 Ų34.23%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-148.7157.1-172.559-96.8000112.3H316 I322 V335 C336 Q342 T346 I352 E354H316-Y344 AromaticContact CD2-CE2 3.87Å; H316-Y344 AromaticContact CD2-CZ 3.67Å; H316-Y344 PolarHBondContact CD2-OH 2.77Å; H316-Y344 AromaticContact NE2-CE2 3.65Å; H316-Y344 AromaticContact NE2-CZ 3.96Å; I322-Y344 WeakPolarHBondContact CD1-OH 3.46Å; V335-Y344 WeakPolarHBondContact CA-O 3.49Å; C336-Y344 HydrophobicContact CB-CD2 4.34Å; C336-Y344 HydrophobicContact CB-CE1 4.4Å; C336-Y344 HydrophobicContact CB-CE2 3.81Å; C336-Y344 PolarHBondContact N-O 2.82Å; C336-Y344 PolarHBondContact O-N 2.84Å; Q342-Y344 HydrophobicContact CB-CD1 4.37Å; Q342-Y344 HydrophobicContact CB-CE1 4.09Å; Y344-T346 HydrophobicContact CE2-CG2 4.4Å; Y344-I352 HydrophobicContact CD2-CG1 4.2Å; Y344-I352 HydrophobicContact CD2-CG2 4.46Å; Y344-I352 HydrophobicContact CE2-CG1 4.47Å; Y344-E354 CarbonylContact C-O 3.58Å; Y344-E354 WeakPolarHBondContact CA-O 3.06Å; Y344-E354 VanDerWaalsContact CB-O 3.32Å; Y344-E354 WeakPolarHBondContact CB-O 3.45Å
345L95.7Very high94.5Very high7 Ų737.5 Ų37.54%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-95.9125.1173.1-178.570000108.2R333 V335 V353 E354 F387R333-L345 HydrophobicContact CB-CD1 3.95Å; R333-L345 HydrophobicContact CB-CG 4.47Å; V335-L345 HydrophobicContact CG2-CD1 3.59Å; L345-V353 HydrophobicContact CB-CB 4.48Å; L345-V353 HydrophobicContact CD2-CB 4.14Å; L345-V353 HydrophobicContact CD2-CG1 4.17Å; L345-V353 HydrophobicContact CG-CB 4.22Å; L345-V353 PolarHBondContact O-N 2.94Å; L345-E354 HydrophobicContact CB-CB 4.39Å; L345-E354 PolarHBondContact N-O 2.92Å; L345-E354 PolarHBondContact O-N 3.41Å; L345-F387 HydrophobicContact CB-CD1 3.84Å; L345-F387 HydrophobicContact CB-CE1 3.82Å
346T95.6Very high94.4Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-119.3151.2175-176.70000110.7L300 R333 M334 Y344 G350 N351L300-T346 HydrophobicContact CD2-CG2 4.14Å; R333-T346 CarbonylContact C-O 3.35Å; R333-T346 VanDerWaalsContact CA-O 3.25Å; R333-T346 WeakPolarHBondContact CA-O 3.34Å; M334-T346 HydrophobicContact CG-CG2 3.44Å; M334-T346 VanDerWaalsContact CG-CG2 3.44Å; M334-T346 PolarHBondContact N-O 2.9Å; M334-T346 PolarHBondContact O-N 2.86Å; M334-T346 HydrophobicContact SD-CG2 4.3Å; Y344-T346 HydrophobicContact CE2-CG2 4.4Å; T346-G350 WeakPolarHBondContact OG1-CA 3.33Å; T346-N351 VanDerWaalsContact CA-O 3.26Å; T346-N351 WeakPolarHBondContact CA-O 3.31Å; T346-N351 PolarHBondContact OG1-N 3.15Å; T346-N351 PolarHBondContact OG1-O 3.03Å
347D95.9Very high94.1Very high39 Ų3947.3 Ų47.321%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-77.8171.8164.270.416.3000111.6L332 R333 E349 G350 N351 V353L332-D347 WeakPolarHBondContact O-CA 3.43Å; R333-D347 HydrophobicContact CG-CB 4.47Å; D347-E349 PolarHBondContact O-N 2.85Å; D347-E349 WeakPolarHBondContact OD1-CA 3.45Å; D347-E349 PolarHBondContact OD1-N 3.34Å; D347-G350 PolarHBondContact O-N 3.48Å; D347-G350 VanDerWaalsContact O-N 3.15Å; D347-G350 PolarHBondContact OD1-N 2.93Å; D347-N351 PolarHBondContact N-O 3.4Å; D347-N351 PolarHBondContact OD1-N 2.78Å; D347-N351 PolarHBondContact OD1-ND2 2.73Å; D347-N351 WeakPolarHBondContact OD2-CB 3.3Å; D347-N351 PolarHBondContact OD2-ND2 2.97Å; D347-V353 HydrophobicContact CB-CG2 4.48Å
348V96Very high93.8Very high17 Ų1750.3 Ų50.310%0.10327%0.269CS..THydrogen-bonded Turntrans-61.1-20.4176.6-168.30000113L288 I302 W327 L332L288-V348 HydrophobicContact CD1-CG1 3.74Å; I302-V348 HydrophobicContact CD1-CG1 4.25Å; I302-V348 WeakPolarHBondContact CD1-O 3.28Å; I302-V348 HydrophobicContact CG2-CG1 4.05Å; W327-V348 HydrophobicContact CH2-CG1 4.49Å; W327-V348 HydrophobicContact CH2-CG2 4.35Å; W327-V348 HydrophobicContact CZ3-CG2 3.95Å; L332-V348 VanDerWaalsContact C-CG2 3.49Å; L332-V348 WeakPolarHBondContact O-CG2 3.2Å; L332-V348 PolarHBondContact O-N 2.62Å; L332-V348 VanDerWaalsContact O-N 3.12Å
349E95.7Very high93.7Very high87 Ų8751.6 Ų51.641%0.40728%0.276SS..THydrogen-bonded Turntrans-88.8-5.7179.8-63.8-52.1151.500113.9H311 K312 D347H311-E349 IonicContact CE1-OE1 3.34Å; H311-E349 PolarHBondContact CE1-OE1 2.7Å; H311-E349 IonicContact NE2-OE1 3.57Å; H311-E349 PolarHBondContact NE2-OE1 2.96Å; H311-E349 IonicContact NE2-OE2 3.07Å; K312-E349 VanDerWaalsContact CE-O 3.24Å; K312-E349 WeakPolarHBondContact CE-O 3.32Å; K312-E349 PolarHBondContact NZ-O 2.75Å; D347-E349 PolarHBondContact O-N 2.85Å; D347-E349 WeakPolarHBondContact OD1-CA 3.45Å; D347-E349 PolarHBondContact OD1-N 3.34Å
350G92.6Very high93.9Very high12 Ų1257.3 Ų57.312%0.12430%0.295CS..SBendtrans87.225179.700000113.8V314 H316 T346 D347V314-G350 VanDerWaalsContact CG2-CA 3.48Å; H316-G350 PolarHBondContact CE1-O 3.34Å; T346-G350 WeakPolarHBondContact OG1-CA 3.33Å; D347-G350 PolarHBondContact O-N 3.48Å; D347-G350 VanDerWaalsContact O-N 3.15Å; D347-G350 PolarHBondContact OD1-N 2.93Å
351N96.3Very high94Very high95 Ų9550.1 Ų50.151%0.50827%0.267SS..  trans-91.3128.2170.4-51.9-59.2000109.7T346 D347 V353T346-N351 VanDerWaalsContact CA-O 3.26Å; T346-N351 WeakPolarHBondContact CA-O 3.31Å; T346-N351 PolarHBondContact OG1-N 3.15Å; T346-N351 PolarHBondContact OG1-O 3.03Å; D347-N351 PolarHBondContact N-O 3.4Å; D347-N351 PolarHBondContact OD1-N 2.78Å; D347-N351 PolarHBondContact OD1-ND2 2.73Å; D347-N351 WeakPolarHBondContact OD2-CB 3.3Å; D347-N351 PolarHBondContact OD2-ND2 2.97Å; N351-V353 PolarHBondContact O-N 3.16Å
352I95Very high94.1Very high80 Ų8052.6 Ų52.641%0.4127%0.272SS..EExtended strand (participates in β ladder)trans-69.2120172.9-55.8180000108.4H316 Y344H316-I352 HydrophobicContact CB-CD1 4.44Å; H316-I352 WeakPolarHBondContact CE1-CG1 3.48Å; Y344-I352 HydrophobicContact CD2-CG1 4.2Å; Y344-I352 HydrophobicContact CD2-CG2 4.46Å; Y344-I352 HydrophobicContact CE2-CG1 4.47Å
353V93.6Very high94.2Very high65 Ų6551.5 Ų51.539%0.39427%0.268SS..EExtended strand (participates in β ladder)trans-87.1-51.9176.9-1760000109.8L345 D347 N351L345-V353 HydrophobicContact CB-CB 4.48Å; L345-V353 HydrophobicContact CD2-CB 4.14Å; L345-V353 HydrophobicContact CD2-CG1 4.17Å; L345-V353 HydrophobicContact CG-CB 4.22Å; L345-V353 PolarHBondContact O-N 2.94Å; D347-V353 HydrophobicContact CB-CG2 4.48Å; N351-V353 PolarHBondContact O-N 3.16Å
354E93.6Very high94.2Very high86 Ų8651.6 Ų51.640%0.40227%0.269SS..EExtended strand (participates in β ladder)trans-146.9152.4-177.5-75.4-61.7165.200110.3Y344 L345 F387Y344-E354 CarbonylContact C-O 3.58Å; Y344-E354 WeakPolarHBondContact CA-O 3.06Å; Y344-E354 VanDerWaalsContact CB-O 3.32Å; Y344-E354 WeakPolarHBondContact CB-O 3.45Å; L345-E354 HydrophobicContact CB-CB 4.39Å; L345-E354 PolarHBondContact N-O 2.92Å; L345-E354 PolarHBondContact O-N 3.41Å; E354-F387 HydrophobicContact CB-CD1 3.72Å; E354-F387 HydrophobicContact CB-CE1 4.44Å
355T93.6Very high94.2Very high70 Ų7053.1 Ų53.143%0.42928%0.276SS..EExtended strand (participates in β ladder)trans-138.5145.9-175.4-173.80000112.6
356W94.1Very high94.3Very high31 Ų3153.2 Ų53.212%0.11728%0.277CS..  trans-114.7111.3169.2-75.592.2000109.2F343 I359 Y385 F387 L390 E392F343-W356 HydrophobicContact CB-CB 4.15Å; F343-W356 HydrophobicContact CD1-CB 3.5Å; F343-W356 AromaticContact CD1-CD1 3.86Å; F343-W356 AromaticContact CD1-CG 3.78Å; F343-W356 HydrophobicContact CD1-CG 3.78Å; F343-W356 HydrophobicContact CE1-CB 4.29Å; F343-W356 AromaticContact CE1-CD1 3.87Å; F343-W356 HydrophobicContact CE1-CG 4.08Å; F343-W356 HydrophobicContact CG-CB 4.18Å; F343-W356 PolarHBondContact O-N 3.08Å; W356-I359 HydrophobicContact CB-CD1 3.85Å; W356-I359 HydrophobicContact CB-CG1 4.23Å; W356-I359 HydrophobicContact CD2-CD1 4.15Å; W356-I359 HydrophobicContact CE3-CD1 3.75Å; W356-I359 HydrophobicContact CG-CD1 4.23Å; W356-Y385 HydrophobicContact CD2-CD1 4.1Å; W356-Y385 AromaticContact CE2-CD1 3.92Å; W356-Y385 HydrophobicContact CE3-CD1 4.27Å; W356-Y385 HydrophobicContact CH2-CD1 4.04Å; W356-Y385 AromaticContact CZ2-CD1 3.9Å; W356-Y385 HydrophobicContact CZ2-CD1 3.9Å; W356-Y385 HydrophobicContact CZ3-CD1 4.24Å; W356-F387 AromaticContact CD1-CD1 3.89Å; W356-F387 AromaticContact CD1-CE1 3.36Å; W356-F387 AromaticContact CD1-CZ 3.44Å; W356-F387 VanDerWaalsContact CD1-CZ 3.44Å; W356-F387 AromaticContact NE1-CD1 3.77Å; W356-F387 AromaticContact NE1-CE1 3.7Å; W356-F387 AromaticContact NE1-CE2 3.9Å; W356-F387 AromaticContact NE1-CG 3.97Å; W356-F387 AromaticContact NE1-CZ 3.76Å; W356-L390 HydrophobicContact CH2-CB 4.14Å; W356-L390 WeakPolarHBondContact CH2-O 3.2Å; W356-L390 HydrophobicContact CZ2-CB 4.17Å; W356-L390 HydrophobicContact CZ2-CD2 4Å; W356-E392 HydrophobicContact CH2-CB 4.17Å; W356-E392 HydrophobicContact CH2-CG 4.29Å; W356-E392 HydrophobicContact CZ3-CG 4.39Å
357E89.7Confident94.3Very high175 Ų17555 Ų5582%0.81829%0.285SS*.THydrogen-bonded Turntrans-78.1137.3-175.9-64.3-171.816700113I359E357-I359 PolarHBondContact O-N 2.84Å
358G89.1Confident94.2Very high63 Ų6359.1 Ų59.165%0.64930%0.303SS*.THydrogen-bonded Turntrans76.93.7168.600000115.3G341 R360G341-G358 PolarHBondContact O-N 2.84Å; G358-R360 PolarHBondContact O-N 2.93Å
359I92.5Very high94Very high26 Ų2661.7 Ų61.713%0.13332%0.316CS..  trans-86.2113.7178.1-51.6-166.1000109.3G341 F343 W356 E357 V361 Y385G341-I359 CarbonylContact C-O 3.45Å; G341-I359 WeakPolarHBondContact CA-O 3.38Å; F343-I359 HydrophobicContact CB-CB 4.27Å; F343-I359 HydrophobicContact CD1-CB 4.16Å; F343-I359 HydrophobicContact CD1-CD1 4.23Å; F343-I359 HydrophobicContact CD1-CG2 4.18Å; W356-I359 HydrophobicContact CB-CD1 3.85Å; W356-I359 HydrophobicContact CB-CG1 4.23Å; W356-I359 HydrophobicContact CD2-CD1 4.15Å; W356-I359 HydrophobicContact CE3-CD1 3.75Å; W356-I359 HydrophobicContact CG-CD1 4.23Å; E357-I359 PolarHBondContact O-N 2.84Å; I359-V361 HydrophobicContact CB-CG2 4.5Å; I359-V361 HydrophobicContact CG2-CG2 3.75Å; I359-V361 PolarHBondContact O-N 3.1Å; I359-Y385 HydrophobicContact CD1-CD1 4.23Å; I359-Y385 HydrophobicContact CD1-CE1 3.4Å; I359-Y385 VanDerWaalsContact CD1-CE1 3.4Å; I359-Y385 WeakPolarHBondContact CG2-OH 3.48Å
360R94.4Very high93.5Very high145 Ų14558.3 Ų58.355%0.54731%0.305SS..  trans-86.1104.9178.5-58.8-179.4-175.7-175.7-0.5109.5G338 T339 G358 D377 T378G338-R360 CarbonylContact O-C 3.47Å; G338-R360 WeakPolarHBondContact O-CA 3.49Å; T339-R360 WeakPolarHBondContact O-CB 3.49Å; T339-R360 WeakPolarHBondContact O-CD 3.37Å; T339-R360 VanDerWaalsContact O-CG 3.31Å; T339-R360 WeakPolarHBondContact O-CG 3.39Å; G358-R360 PolarHBondContact O-N 2.93Å; R360-D377 VanDerWaalsContact O-CA 3.24Å; R360-D377 WeakPolarHBondContact O-CA 3.21Å; R360-T378 HydrophobicContact CB-CG2 3.67Å; R360-T378 PolarHBondContact O-N 2.74Å
361V94.4Very high93.5Very high1 Ų163.1 Ų63.11%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-105.5128-174.2179.80000109.8S323 G338 F343 I359 V363 A364 A375 A376S323-V361 PolarHBondContact OG-O 3.14Å; G338-V361 CarbonylContact C-O 3.58Å; G338-V361 PolarHBondContact N-O 3.22Å; G338-V361 PolarHBondContact O-N 3.01Å; F343-V361 HydrophobicContact CB-CG2 3.94Å; F343-V361 HydrophobicContact CD1-CG2 4.06Å; F343-V361 HydrophobicContact CD2-CG2 3.78Å; F343-V361 HydrophobicContact CE2-CG2 4.25Å; F343-V361 HydrophobicContact CG-CG2 3.67Å; I359-V361 HydrophobicContact CB-CG2 4.5Å; I359-V361 HydrophobicContact CG2-CG2 3.75Å; I359-V361 PolarHBondContact O-N 3.1Å; V361-V363 VanDerWaalsContact CG1-O 3.31Å; V361-V363 WeakPolarHBondContact CG1-O 3.43Å; V361-A364 HydrophobicContact CG1-CB 4.25Å; V361-A375 HydrophobicContact CG1-CB 3.81Å; V361-A375 HydrophobicContact CG2-CB 4.16Å; V361-A376 WeakPolarHBondContact CA-O 3.3Å
362R93.3Very high93.4Very high66 Ų6660.1 Ų60.125%0.24930%0.303CS..EExtended strand (participates in β ladder)trans-85.7-44.8171-68.1-174.9-177.3-82.43.7111.4C324 A376 T378 L402C324-R362 WeakPolarHBondContact CB-O 3.48Å; R362-A376 PolarHBondContact N-O 3.18Å; R362-T378 HydrophobicContact CG-CG2 4.48Å; R362-L402 VanDerWaalsContact CD-O 3.24Å; R362-L402 WeakPolarHBondContact CD-O 3.18Å
363V95.1Very high93.5Very high8 Ų856.5 Ų56.55%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-143.6141.5-176.6-177.40000109.1V361 A375 A376 Y404 F405V361-V363 VanDerWaalsContact CG1-O 3.31Å; V361-V363 WeakPolarHBondContact CG1-O 3.43Å; V363-A375 CarbonylContact O-C 3.51Å; V363-A375 VanDerWaalsContact O-CA 3.32Å; V363-A375 WeakPolarHBondContact O-CA 3.42Å; V363-A376 PolarHBondContact O-N 2.91Å; V363-Y404 HydrophobicContact CG1-CD2 4.1Å; V363-Y404 HydrophobicContact CG1-CE2 3.97Å; V363-Y404 HydrophobicContact CG2-CD2 3.6Å; V363-Y404 HydrophobicContact CG2-CE2 4.26Å; V363-Y404 HydrophobicContact CG2-CG 4.46Å; V363-F405 HydrophobicContact CB-CD1 3.93Å; V363-F405 HydrophobicContact CB-CE1 3.76Å; V363-F405 HydrophobicContact CG1-CD1 3.96Å; V363-F405 HydrophobicContact CG1-CE1 3.74Å; V363-F405 HydrophobicContact CG1-CZ 4.33Å; V363-F405 WeakPolarHBondContact O-CE1 3.45Å
364A96.3Very high93.7Very high3 Ų353.6 Ų53.63%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-127.6151.6172.700000111.3S326 V335 F343 V361 V373 L374 A375S326-A364 WeakPolarHBondContact CB-O 3.2Å; V335-A364 HydrophobicContact CG1-CB 4.36Å; F343-A364 HydrophobicContact CE2-CB 4.39Å; V361-A364 HydrophobicContact CG1-CB 4.25Å; A364-V373 HydrophobicContact CB-CG1 4.29Å; A364-L374 CarbonylContact C-O 3.59Å; A364-L374 VanDerWaalsContact CA-O 3.3Å; A364-L374 WeakPolarHBondContact CA-O 3.46Å; A364-A375 HydrophobicContact CB-CB 4.28Å
365H96.8Very high93.8Very high40 Ų4049.5 Ų49.519%0.18525%0.248CC..EExtended strand (participates in β ladder)trans-141.4112.3175.7179-84.3000109.8S326 L374 F405 I407 E411S326-H365 WeakPolarHBondContact OG-CA 3.15Å; H365-L374 HydrophobicContact CB-CB 4.48Å; H365-L374 PolarHBondContact N-O 2.97Å; H365-L374 PolarHBondContact O-N 3.32Å; H365-F405 HydrophobicContact CB-CE2 3.96Å; H365-F405 HydrophobicContact CB-CZ 4.06Å; H365-I407 HydrophobicContact CB-CG1 4.23Å; H365-E411 IonicContact CE1-OE1 3.87Å
366C96.8Very high93.9Very high9 Ų946.2 Ų46.26%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-69.2129.9171.1-66.50000110.2S326 W327 V335S326-C366 PolarHBondContact OG-N 3.3Å; W327-C366 WeakPolarHBondContact O-CB 3.39Å; V335-C366 WeakPolarHBondContact CG2-SG 3.35Å
367K95.7Very high93.9Very high37 Ų3745 Ų4516%0.16122%0.223CC..  trans-75.3154.9176-66.1-16964.2-116.40111.3D369 G370 N372 L374 E411K367-D369 IonicContact NZ-OD2 2.84Å; K367-D369 PolarHBondContact NZ-OD2 3.27Å; K367-D369 PolarHBondContact O-N 3.35Å; K367-D369 VanDerWaalsContact O-N 3.15Å; K367-G370 PolarHBondContact O-N 3.28Å; K367-N372 HydrophobicContact CB-CB 4.15Å; K367-N372 WeakPolarHBondContact CB-O 3.35Å; K367-N372 HydrophobicContact CD-CB 3.72Å; K367-N372 HydrophobicContact CG-CB 4.09Å; K367-N372 PolarHBondContact N-O 3.14Å; K367-L374 HydrophobicContact CD-CD1 4.46Å; K367-L374 HydrophobicContact CD-CG 4.22Å; K367-L374 HydrophobicContact CG-CG 4.24Å; K367-E411 WeakPolarHBondContact CA-OE1 3.41Å; K367-E411 WeakPolarHBondContact CB-OE1 3.45Å; K367-E411 WeakPolarHBondContact CE-OE2 3.2Å; K367-E411 IonicContact NZ-OE2 3.54Å
368H93.9Very high93.9Very high125 Ų12538.6 Ų38.658%0.57920%0.196SC*.THydrogen-bonded Turntrans-62.2-23178.4-67.473.3000112.3S329 G370 E411S329-H368 PolarHBondContact OG-O 2.85Å; H368-G370 PolarHBondContact O-N 3.36Å; H368-E411 IonicContact CE1-OE1 2.94Å; H368-E411 IonicContact CG-OE1 2.99Å; H368-E411 PolarHBondContact N-OE1 3.45Å; H368-E411 WeakPolarHBondContact ND1-CG 3.28Å; H368-E411 IonicContact ND1-OE1 3.47Å; H368-E411 PolarHBondContact ND1-OE1 3.25Å; H368-E411 IonicContact ND1-OE2 2.97Å
369D91.2Very high94.1Very high72 Ų7241.4 Ų41.439%0.38519%0.192SC..THydrogen-bonded Turntrans-63.9-13174.262.732.5000114.1K367 R371 N372K367-D369 IonicContact NZ-OD2 2.84Å; K367-D369 PolarHBondContact NZ-OD2 3.27Å; K367-D369 PolarHBondContact O-N 3.35Å; K367-D369 VanDerWaalsContact O-N 3.15Å; D369-R371 PolarHBondContact O-N 2.8Å; D369-R371 PolarHBondContact OD1-N 3.3Å; D369-N372 PolarHBondContact OD1-N 2.84Å; D369-N372 PolarHBondContact OD2-ND2 2.77Å
370G86.6Confident94.1Very high16 Ų1641.6 Ų41.617%0.16519%0.193CC..SBendtrans64.922.8178.400000113.6H328 S329 K367 H368H328-G370 PolarHBondContact CE1-O 2.85Å; H328-G370 WeakPolarHBondContact NE2-CA 3.38Å; H328-G370 PolarHBondContact NE2-O 3.46Å; S329-G370 VanDerWaalsContact OG-CA 3.32Å; S329-G370 WeakPolarHBondContact OG-CA 3.33Å; K367-G370 PolarHBondContact O-N 3.28Å; H368-G370 PolarHBondContact O-N 3.36Å
371R90.8Very high94.2Very high112 Ų11238 Ų3842%0.42318%0.18SC..SBendtrans-133.1-39.2-177.1-179.1161-161.9-130.3-13.7111.9D369 C386 D388 D389D369-R371 PolarHBondContact O-N 2.8Å; D369-R371 PolarHBondContact OD1-N 3.3Å; R371-C386 WeakPolarHBondContact CG-SG 3.31Å; R371-C386 PolarHBondContact NE-SG 2.9Å; R371-C386 VanDerWaalsContact NE-SG 3.42Å; R371-C386 WeakPolarHBondContact O-CA 3.27Å; R371-D388 VanDerWaalsContact CD-OD2 3.31Å; R371-D388 WeakPolarHBondContact CD-OD2 3.32Å; R371-D388 VanDerWaalsContact CG-OD2 3.27Å; R371-D388 WeakPolarHBondContact CG-OD2 3.38Å; R371-D388 IonicContact NE-OD2 3.69Å; R371-D388 PolarHBondContact NE-OD2 3.48Å; R371-D389 IonicContact CZ-OD2 3.36Å; R371-D389 IonicContact NH2-OD2 2.85Å; R371-D389 PolarHBondContact NH2-OD2 2.79Å
372N94.9Very high94.4Very high32 Ų3238 Ų3817%0.17118%0.18CC..EExtended strand (participates in β ladder)trans-103.3144.5-174.2-70.9-71.7000111.4K367 D369 N384 Y385K367-N372 HydrophobicContact CB-CB 4.15Å; K367-N372 WeakPolarHBondContact CB-O 3.35Å; K367-N372 HydrophobicContact CD-CB 3.72Å; K367-N372 HydrophobicContact CG-CB 4.09Å; K367-N372 PolarHBondContact N-O 3.14Å; D369-N372 PolarHBondContact OD1-N 2.84Å; D369-N372 PolarHBondContact OD2-ND2 2.77Å; N372-N384 WeakPolarHBondContact CB-OD1 3.41Å; N372-N384 PolarHBondContact OD1-ND2 3.42Å; N372-Y385 CarbonylContact C-O 3.54Å; N372-Y385 WeakPolarHBondContact CA-O 3.3Å
373V96.8Very high94.5Very high4 Ų436.2 Ų36.22%0.02417%0.173CC..EExtended strand (participates in β ladder)trans-130123177.1-178.30000108.2V335 F343 A364 N384 Y385 F387V335-V373 HydrophobicContact CG1-CG1 4.17Å; V335-V373 HydrophobicContact CG2-CG1 4.44Å; V335-V373 HydrophobicContact CG2-CG2 3.9Å; F343-V373 HydrophobicContact CE2-CG1 4.32Å; F343-V373 HydrophobicContact CZ-CG1 4.09Å; A364-V373 HydrophobicContact CB-CG1 4.29Å; V373-N384 CarbonylContact O-C 3.53Å; V373-N384 WeakPolarHBondContact O-CA 3.22Å; V373-Y385 PolarHBondContact N-O 2.8Å; V373-Y385 PolarHBondContact O-N 2.78Å; V373-F387 HydrophobicContact CB-CD2 4.36Å; V373-F387 HydrophobicContact CB-CE2 3.97Å; V373-F387 HydrophobicContact CG1-CE2 4.45Å; V373-F387 HydrophobicContact CG2-CD2 3.71Å; V373-F387 HydrophobicContact CG2-CE2 3.61Å
374L97.5Very high94.6Very high5 Ų536 Ų363%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-85.3126.5170-62177.6000108.3A364 H365 K367 I382 R383 N384 V395 F405 I407 L428A364-L374 CarbonylContact C-O 3.59Å; A364-L374 VanDerWaalsContact CA-O 3.3Å; A364-L374 WeakPolarHBondContact CA-O 3.46Å; H365-L374 HydrophobicContact CB-CB 4.48Å; H365-L374 PolarHBondContact N-O 2.97Å; H365-L374 PolarHBondContact O-N 3.32Å; K367-L374 HydrophobicContact CD-CD1 4.46Å; K367-L374 HydrophobicContact CD-CG 4.22Å; K367-L374 HydrophobicContact CG-CG 4.24Å; L374-I382 HydrophobicContact CB-CG2 4.15Å; L374-I382 HydrophobicContact CD2-CG2 4.48Å; L374-R383 CarbonylContact C-O 3.6Å; L374-R383 WeakPolarHBondContact CA-O 3.36Å; L374-N384 HydrophobicContact CD2-CB 3.74Å; L374-V395 HydrophobicContact CD2-CG2 4.35Å; L374-F405 HydrophobicContact CB-CE2 4.22Å; L374-F405 HydrophobicContact CB-CZ 4.12Å; L374-I407 HydrophobicContact CD1-CD1 3.92Å; L374-I407 HydrophobicContact CD1-CG1 4.15Å; L374-L428 HydrophobicContact CD1-CD1 3.81Å; L374-L428 HydrophobicContact CD1-CD2 4.33Å
375A97.2Very high94.6Very high0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-134.3135.1175.700000111.3F343 V361 V363 A364 I382 R383 Y385F343-A375 HydrophobicContact CE1-CB 4.45Å; F343-A375 HydrophobicContact CE2-CB 4.13Å; F343-A375 HydrophobicContact CZ-CB 3.83Å; V361-A375 HydrophobicContact CG1-CB 3.81Å; V361-A375 HydrophobicContact CG2-CB 4.16Å; V363-A375 CarbonylContact O-C 3.51Å; V363-A375 VanDerWaalsContact O-CA 3.32Å; V363-A375 WeakPolarHBondContact O-CA 3.42Å; A364-A375 HydrophobicContact CB-CB 4.28Å; A375-I382 WeakPolarHBondContact O-CA 3.5Å; A375-R383 PolarHBondContact N-O 3.02Å; A375-R383 PolarHBondContact O-N 2.97Å; A375-Y385 HydrophobicContact CB-CD2 4.01Å; A375-Y385 HydrophobicContact CB-CE2 3.8Å
376A95.9Very high94.5Very high1 Ų134.3 Ų34.31%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-89.5121.9175.400000109.6V361 R362 V363 R381 I382 L402 F405V361-A376 WeakPolarHBondContact CA-O 3.3Å; R362-A376 PolarHBondContact N-O 3.18Å; V363-A376 PolarHBondContact O-N 2.91Å; A376-R381 VanDerWaalsContact CA-O 3.31Å; A376-R381 WeakPolarHBondContact CA-O 3.48Å; A376-I382 HydrophobicContact CB-CG1 4.33Å; A376-L402 HydrophobicContact CB-CD2 3.68Å; A376-L402 HydrophobicContact CB-CG 4.41Å; A376-F405 HydrophobicContact CB-CD1 3.56Å; A376-F405 HydrophobicContact CB-CE1 3.55Å
377D93Very high94.2Very high5 Ų534.3 Ų34.33%0.02716%0.163CC..EExtended strand (participates in β ladder)trans-96.1171.1179.372.118.8000113R360 H379 N380 R381R360-D377 VanDerWaalsContact O-CA 3.24Å; R360-D377 WeakPolarHBondContact O-CA 3.21Å; D377-H379 PolarHBondContact O-N 2.9Å; D377-H379 VanDerWaalsContact O-N 3.14Å; D377-H379 VanDerWaalsContact OD1-CA 3.3Å; D377-H379 WeakPolarHBondContact OD1-CA 3.48Å; D377-H379 WeakPolarHBondContact OD1-CB 3.37Å; D377-H379 PolarHBondContact OD1-N 2.72Å; D377-N380 PolarHBondContact O-N 2.8Å; D377-N380 PolarHBondContact OD1-N 2.85Å; D377-R381 PolarHBondContact N-O 3.28Å; D377-R381 WeakPolarHBondContact OD1-CB 3.27Å; D377-R381 PolarHBondContact OD1-N 3.48Å; D377-R381 IonicContact OD1-NE 3.76Å; D377-R381 IonicContact OD2-CZ 3.01Å; D377-R381 IonicContact OD2-NE 3.84Å; D377-R381 PolarHBondContact OD2-NE 2.83Å; D377-R381 IonicContact OD2-NH2 3.62Å; D377-R381 PolarHBondContact OD2-NH2 2.86Å
378T89.7Confident93.8Very high41 Ų4137.6 Ų37.625%0.25218%0.182SC..THydrogen-bonded Turntrans-71.1-0.9177.160.60000114.2R360 R362R360-T378 HydrophobicContact CB-CG2 3.67Å; R360-T378 PolarHBondContact O-N 2.74Å; R362-T378 HydrophobicContact CG-CG2 4.48Å
379H92.7Very high93.7Very high121 Ų12135.1 Ų35.156%0.5617%0.173SC*.THydrogen-bonded Turntrans-10016.2175.2-60.191.5000111.8D377 R381D377-H379 PolarHBondContact O-N 2.9Å; D377-H379 VanDerWaalsContact O-N 3.14Å; D377-H379 VanDerWaalsContact OD1-CA 3.3Å; D377-H379 WeakPolarHBondContact OD1-CA 3.48Å; D377-H379 WeakPolarHBondContact OD1-CB 3.37Å; D377-H379 PolarHBondContact OD1-N 2.72Å; H379-R381 VanDerWaalsContact C-N 3.28Å; H379-R381 HydrophobicContact CB-CG 4.46Å; H379-R381 PolarHBondContact ND1-NH2 2.9Å; H379-R381 PolarHBondContact O-N 3.09Å
380N94Very high93.6Very high30 Ų3036 Ų3616%0.1618%0.177CC..SBendtrans63.831.9178.4-46.9-35.2000112.7D377 E398 A400 S401 L402D377-N380 PolarHBondContact O-N 2.8Å; D377-N380 PolarHBondContact OD1-N 2.85Å; N380-E398 HydrophobicContact CB-CB 4.04Å; N380-E398 WeakPolarHBondContact CB-O 3.35Å; N380-E398 PolarHBondContact O-N 2.6Å; N380-A400 VanDerWaalsContact CB-O 3.32Å; N380-A400 WeakPolarHBondContact CB-O 3.4Å; N380-A400 PolarHBondContact ND2-O 3.2Å; N380-A400 VanDerWaalsContact ND2-O 3.12Å; N380-S401 WeakPolarHBondContact OD1-CA 3.28Å; N380-L402 HydrophobicContact CB-CB 4.25Å; N380-L402 PolarHBondContact OD1-N 3.12Å; N380-L402 VanDerWaalsContact OD1-N 3.13Å
381R95.9Very high94Very high70 Ų7038.7 Ų38.726%0.26419%0.191SC..EExtended strand (participates in β ladder)trans-111.5140177.3-57.5173.7-63.6-167.10.6110A376 D377 H379 R383 T394 I396 K397A376-R381 VanDerWaalsContact CA-O 3.31Å; A376-R381 WeakPolarHBondContact CA-O 3.48Å; D377-R381 PolarHBondContact N-O 3.28Å; D377-R381 WeakPolarHBondContact OD1-CB 3.27Å; D377-R381 PolarHBondContact OD1-N 3.48Å; D377-R381 IonicContact OD1-NE 3.76Å; D377-R381 IonicContact OD2-CZ 3.01Å; D377-R381 IonicContact OD2-NE 3.84Å; D377-R381 PolarHBondContact OD2-NE 2.83Å; D377-R381 IonicContact OD2-NH2 3.62Å; D377-R381 PolarHBondContact OD2-NH2 2.86Å; H379-R381 VanDerWaalsContact C-N 3.28Å; H379-R381 HydrophobicContact CB-CG 4.46Å; H379-R381 PolarHBondContact ND1-NH2 2.9Å; H379-R381 PolarHBondContact O-N 3.09Å; R381-R383 HydrophobicContact CB-CG 4.15Å; R381-T394 HydrophobicContact CB-CG2 4.36Å; R381-I396 CarbonylContact C-O 3.59Å; R381-I396 VanDerWaalsContact CA-O 3.29Å; R381-I396 WeakPolarHBondContact CA-O 3.47Å; R381-K397 HydrophobicContact CG-CB 4.31Å; R381-K397 HydrophobicContact CG-CG 4.05Å
382I97.3Very high94.1Very high0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-98.6118.7162.1-56.4177.4000107.2L374 A375 A376 V395 I396 L402 F405 A414L374-I382 HydrophobicContact CB-CG2 4.15Å; L374-I382 HydrophobicContact CD2-CG2 4.48Å; A375-I382 WeakPolarHBondContact O-CA 3.5Å; A376-I382 HydrophobicContact CB-CG1 4.33Å; I382-V395 PolarHBondContact O-N 2.92Å; I382-I396 HydrophobicContact CB-CB 4.15Å; I382-I396 HydrophobicContact CD1-CD1 4.01Å; I382-I396 HydrophobicContact CG1-CB 4.48Å; I382-I396 PolarHBondContact N-O 2.89Å; I382-I396 PolarHBondContact O-N 3.26Å; I382-I396 VanDerWaalsContact O-N 3.15Å; I382-L402 HydrophobicContact CD1-CD2 4.06Å; I382-L402 HydrophobicContact CG1-CD2 3.64Å; I382-F405 HydrophobicContact CD1-CB 3.96Å; I382-F405 HydrophobicContact CD1-CD1 4.07Å; I382-F405 HydrophobicContact CD1-CD2 4.08Å; I382-F405 HydrophobicContact CD1-CG 3.76Å; I382-F405 HydrophobicContact CG1-CD1 4.39Å; I382-F405 HydrophobicContact CG2-CZ 4.47Å; I382-A414 HydrophobicContact CD1-CB 4.49Å
383R96.7Very high94.2Very high29 Ų2943.5 Ų43.511%0.10921%0.21CC..EExtended strand (participates in β ladder)trans-115.7145.7-178.8-63.4176.464.195.3-2.9109.5L374 A375 R381 Y385 E392 R393 T394L374-R383 CarbonylContact C-O 3.6Å; L374-R383 WeakPolarHBondContact CA-O 3.36Å; A375-R383 PolarHBondContact N-O 3.02Å; A375-R383 PolarHBondContact O-N 2.97Å; R381-R383 HydrophobicContact CB-CG 4.15Å; R383-Y385 HydrophobicContact CB-CD2 4.26Å; R383-Y385 HydrophobicContact CB-CE2 3.47Å; R383-Y385 VanDerWaalsContact CB-CE2 3.47Å; R383-Y385 VanDerWaalsContact CD-OH 3.28Å; R383-Y385 WeakPolarHBondContact CD-OH 3.45Å; R383-Y385 PolarHBondContact NE-OH 3.42Å; R383-E392 IonicContact CZ-OE1 3.28Å; R383-E392 IonicContact CZ-OE2 3.02Å; R383-E392 IonicContact NE-OE2 2.84Å; R383-E392 IonicContact NH2-OE1 2.72Å; R383-E392 PolarHBondContact NH2-OE1 3.02Å; R383-E392 IonicContact NH2-OE2 3.03Å; R383-E392 PolarHBondContact NH2-OE2 3.47Å; R383-R393 CarbonylContact C-O 3.55Å; R383-R393 VanDerWaalsContact CA-O 3.28Å; R383-R393 WeakPolarHBondContact CA-O 3.41Å; R383-T394 PolarHBondContact NH1-OG1 2.99Å
384N96.6Very high94.1Very high5 Ų546.7 Ų46.73%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-100.5119.4174.7178.581000108.9N372 V373 L374 E392 R393 V395N372-N384 WeakPolarHBondContact CB-OD1 3.41Å; N372-N384 PolarHBondContact OD1-ND2 3.42Å; V373-N384 CarbonylContact O-C 3.53Å; V373-N384 WeakPolarHBondContact O-CA 3.22Å; L374-N384 HydrophobicContact CD2-CB 3.74Å; N384-E392 CarbonylContact O-C 3.48Å; N384-E392 VanDerWaalsContact O-CA 3.29Å; N384-E392 WeakPolarHBondContact O-CA 3.5Å; N384-R393 HydrophobicContact CB-CG 3.68Å; N384-R393 PolarHBondContact N-O 3.45Å; N384-R393 PolarHBondContact ND2-NE 2.97Å; N384-R393 PolarHBondContact O-N 2.9Å; N384-V395 HydrophobicContact CB-CG2 3.79Å
385Y96.5Very high94Very high4 Ų447.8 Ų47.82%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-110.5135.8179.6-60.8-88.2000109.6F343 W356 I359 N372 V373 A375 R383 T391 E392F343-Y385 HydrophobicContact CE1-CD1 4.02Å; F343-Y385 AromaticContact CE1-CD2 3.64Å; F343-Y385 HydrophobicContact CE1-CD2 3.64Å; F343-Y385 HydrophobicContact CE1-CE1 4.32Å; F343-Y385 AromaticContact CE1-CE2 3.95Å; F343-Y385 HydrophobicContact CE1-CE2 3.95Å; F343-Y385 AromaticContact CE1-CG 3.66Å; F343-Y385 HydrophobicContact CE1-CG 3.66Å; F343-Y385 AromaticContact CZ-CD2 3.89Å; F343-Y385 HydrophobicContact CZ-CD2 3.89Å; F343-Y385 HydrophobicContact CZ-CE2 4.39Å; F343-Y385 HydrophobicContact CZ-CG 4.17Å; W356-Y385 HydrophobicContact CD2-CD1 4.1Å; W356-Y385 AromaticContact CE2-CD1 3.92Å; W356-Y385 HydrophobicContact CE3-CD1 4.27Å; W356-Y385 HydrophobicContact CH2-CD1 4.04Å; W356-Y385 AromaticContact CZ2-CD1 3.9Å; W356-Y385 HydrophobicContact CZ2-CD1 3.9Å; W356-Y385 HydrophobicContact CZ3-CD1 4.24Å; I359-Y385 HydrophobicContact CD1-CD1 4.23Å; I359-Y385 HydrophobicContact CD1-CE1 3.4Å; I359-Y385 VanDerWaalsContact CD1-CE1 3.4Å; I359-Y385 WeakPolarHBondContact CG2-OH 3.48Å; N372-Y385 CarbonylContact C-O 3.54Å; N372-Y385 WeakPolarHBondContact CA-O 3.3Å; V373-Y385 PolarHBondContact N-O 2.8Å; V373-Y385 PolarHBondContact O-N 2.78Å; A375-Y385 HydrophobicContact CB-CD2 4.01Å; A375-Y385 HydrophobicContact CB-CE2 3.8Å; R383-Y385 HydrophobicContact CB-CD2 4.26Å; R383-Y385 HydrophobicContact CB-CE2 3.47Å; R383-Y385 VanDerWaalsContact CB-CE2 3.47Å; R383-Y385 VanDerWaalsContact CD-OH 3.28Å; R383-Y385 WeakPolarHBondContact CD-OH 3.45Å; R383-Y385 PolarHBondContact NE-OH 3.42Å; Y385-T391 WeakPolarHBondContact CA-O 3.45Å; Y385-E392 HydrophobicContact CD1-CB 3.78Å; Y385-E392 HydrophobicContact CE1-CB 3.91Å; Y385-E392 VanDerWaalsContact CE1-OE2 3.28Å; Y385-E392 WeakPolarHBondContact CE1-OE2 3.38Å
386C94.9Very high93.9Very high2 Ų247.9 Ų47.91%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-109.8116.5171.8177.60000108.3R371 D388 D389 L390 T391R371-C386 WeakPolarHBondContact CG-SG 3.31Å; R371-C386 PolarHBondContact NE-SG 2.9Å; R371-C386 VanDerWaalsContact NE-SG 3.42Å; R371-C386 WeakPolarHBondContact O-CA 3.27Å; C386-D388 VanDerWaalsContact C-N 3.32Å; C386-D389 WeakPolarHBondContact CB-OD1 3.46Å; C386-D389 VanDerWaalsContact SG-CG 3.53Å; C386-D389 PolarHBondContact SG-OD1 3.37Å; C386-L390 WeakPolarHBondContact O-CA 3.32Å; C386-L390 PolarHBondContact O-N 3.27Å; C386-T391 WeakPolarHBondContact CB-OG1 3.38Å; C386-T391 PolarHBondContact N-O 3.32Å; C386-T391 PolarHBondContact O-N 3.04Å
387F89.6Confident93.8Very high10 Ų1054.3 Ų54.34%0.04427%0.265CS..THydrogen-bonded Turntrans-75.4-21.7-177.5-81.6-100.3000112.7V335 F343 L345 E354 W356 V373V335-F387 HydrophobicContact CG1-CE2 4.4Å; V335-F387 HydrophobicContact CG1-CZ 4.13Å; V335-F387 HydrophobicContact CG2-CE2 4.2Å; V335-F387 HydrophobicContact CG2-CZ 4.33Å; F343-F387 HydrophobicContact CD2-CZ 4.5Å; F343-F387 HydrophobicContact CE1-CE2 4.35Å; F343-F387 HydrophobicContact CE1-CZ 4.16Å; F343-F387 HydrophobicContact CE2-CE2 4.41Å; F343-F387 HydrophobicContact CE2-CZ 4.1Å; F343-F387 AromaticContact CZ-CE2 3.92Å; F343-F387 HydrophobicContact CZ-CE2 3.92Å; F343-F387 AromaticContact CZ-CZ 3.89Å; F343-F387 HydrophobicContact CZ-CZ 3.89Å; L345-F387 HydrophobicContact CB-CD1 3.84Å; L345-F387 HydrophobicContact CB-CE1 3.82Å; E354-F387 HydrophobicContact CB-CD1 3.72Å; E354-F387 HydrophobicContact CB-CE1 4.44Å; W356-F387 AromaticContact CD1-CD1 3.89Å; W356-F387 AromaticContact CD1-CE1 3.36Å; W356-F387 AromaticContact CD1-CZ 3.44Å; W356-F387 VanDerWaalsContact CD1-CZ 3.44Å; W356-F387 AromaticContact NE1-CD1 3.77Å; W356-F387 AromaticContact NE1-CE1 3.7Å; W356-F387 AromaticContact NE1-CE2 3.9Å; W356-F387 AromaticContact NE1-CG 3.97Å; W356-F387 AromaticContact NE1-CZ 3.76Å; V373-F387 HydrophobicContact CB-CD2 4.36Å; V373-F387 HydrophobicContact CB-CE2 3.97Å; V373-F387 HydrophobicContact CG1-CE2 4.45Å; V373-F387 HydrophobicContact CG2-CD2 3.71Å; V373-F387 HydrophobicContact CG2-CE2 3.61Å
388D89.1Confident93.9Very high106 Ų10654.4 Ų54.457%0.56727%0.265SS*.THydrogen-bonded Turntrans-74.4-38.6-179.5-61.2-27.9000113.5R371 C386R371-D388 VanDerWaalsContact CD-OD2 3.31Å; R371-D388 WeakPolarHBondContact CD-OD2 3.32Å; R371-D388 VanDerWaalsContact CG-OD2 3.27Å; R371-D388 WeakPolarHBondContact CG-OD2 3.38Å; R371-D388 IonicContact NE-OD2 3.69Å; R371-D388 PolarHBondContact NE-OD2 3.48Å; C386-D388 VanDerWaalsContact C-N 3.32Å
389D90.6Very high94Very high73 Ų7359.4 Ų59.439%0.3929%0.29SS..THydrogen-bonded Turntrans-118.24.1-175.964.214.4000113.4R371 C386 T391R371-D389 IonicContact CZ-OD2 3.36Å; R371-D389 IonicContact NH2-OD2 2.85Å; R371-D389 PolarHBondContact NH2-OD2 2.79Å; C386-D389 WeakPolarHBondContact CB-OD1 3.46Å; C386-D389 VanDerWaalsContact SG-CG 3.53Å; C386-D389 PolarHBondContact SG-OD1 3.37Å; D389-T391 HydrophobicContact CB-CG2 4.3Å; D389-T391 PolarHBondContact O-N 3.17Å; D389-T391 VanDerWaalsContact OD1-CB 3.3Å; D389-T391 WeakPolarHBondContact OD1-CB 3.06Å; D389-T391 VanDerWaalsContact OD1-CG2 3.28Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.18Å; D389-T391 PolarHBondContact OD1-N 3.47Å; D389-T391 VanDerWaalsContact OD1-N 3.1Å; D389-T391 PolarHBondContact OD1-OG1 3.32Å
390L89.1Confident93.9Very high90 Ų9054.5 Ų54.547%0.47127%0.271SS..THydrogen-bonded Turntrans51.237.2-178.5-57.4175.4000112.6W356 C386W356-L390 HydrophobicContact CH2-CB 4.14Å; W356-L390 WeakPolarHBondContact CH2-O 3.2Å; W356-L390 HydrophobicContact CZ2-CB 4.17Å; W356-L390 HydrophobicContact CZ2-CD2 4Å; C386-L390 WeakPolarHBondContact O-CA 3.32Å; C386-L390 PolarHBondContact O-N 3.27Å
391T94.4Very high93.9Very high73 Ų7355 Ų5545%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-93147172.863.30000111.5Y385 C386 D389Y385-T391 WeakPolarHBondContact CA-O 3.45Å; C386-T391 WeakPolarHBondContact CB-OG1 3.38Å; C386-T391 PolarHBondContact N-O 3.32Å; C386-T391 PolarHBondContact O-N 3.04Å; D389-T391 HydrophobicContact CB-CG2 4.3Å; D389-T391 PolarHBondContact O-N 3.17Å; D389-T391 VanDerWaalsContact OD1-CB 3.3Å; D389-T391 WeakPolarHBondContact OD1-CB 3.06Å; D389-T391 VanDerWaalsContact OD1-CG2 3.28Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.18Å; D389-T391 PolarHBondContact OD1-N 3.47Å; D389-T391 VanDerWaalsContact OD1-N 3.1Å; D389-T391 PolarHBondContact OD1-OG1 3.32Å
392E94.4Very high93.8Very high95 Ų9551.8 Ų51.844%0.44427%0.265SS..EExtended strand (participates in β ladder)trans-135.9145.4179.250.3163.6-147.200111.9W356 R383 N384 Y385W356-E392 HydrophobicContact CH2-CB 4.17Å; W356-E392 HydrophobicContact CH2-CG 4.29Å; W356-E392 HydrophobicContact CZ3-CG 4.39Å; R383-E392 IonicContact CZ-OE1 3.28Å; R383-E392 IonicContact CZ-OE2 3.02Å; R383-E392 IonicContact NE-OE2 2.84Å; R383-E392 IonicContact NH2-OE1 2.72Å; R383-E392 PolarHBondContact NH2-OE1 3.02Å; R383-E392 IonicContact NH2-OE2 3.03Å; R383-E392 PolarHBondContact NH2-OE2 3.47Å; N384-E392 CarbonylContact O-C 3.48Å; N384-E392 VanDerWaalsContact O-CA 3.29Å; N384-E392 WeakPolarHBondContact O-CA 3.5Å; Y385-E392 HydrophobicContact CD1-CB 3.78Å; Y385-E392 HydrophobicContact CE1-CB 3.91Å; Y385-E392 VanDerWaalsContact CE1-OE2 3.28Å; Y385-E392 WeakPolarHBondContact CE1-OE2 3.38Å
393R95.2Very high93.6Very high150 Ų15053.2 Ų53.257%0.56627%0.272SS*.EExtended strand (participates in β ladder)trans-143140173.963.4-179-177.3177.63.3111.2R383 N384 V395R383-R393 CarbonylContact C-O 3.55Å; R383-R393 VanDerWaalsContact CA-O 3.28Å; R383-R393 WeakPolarHBondContact CA-O 3.41Å; N384-R393 HydrophobicContact CB-CG 3.68Å; N384-R393 PolarHBondContact N-O 3.45Å; N384-R393 PolarHBondContact ND2-NE 2.97Å; N384-R393 PolarHBondContact O-N 2.9Å; R393-V395 HydrophobicContact CG-CG2 4.47Å
394T95.6Very high93.5Very high71 Ų7152.3 Ų52.344%0.43627%0.269SS..EExtended strand (participates in β ladder)trans-77.5130.3170.4-55.70000109.3R381 R383R381-T394 HydrophobicContact CB-CG2 4.36Å; R383-T394 PolarHBondContact NH1-OG1 2.99Å
395V95.2Very high93.5Very high27 Ų2752.2 Ų52.216%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-105.5-47.6179.1-172.20000110.2L374 I382 N384 R393 L428L374-V395 HydrophobicContact CD2-CG2 4.35Å; I382-V395 PolarHBondContact O-N 2.92Å; N384-V395 HydrophobicContact CB-CG2 3.79Å; R393-V395 HydrophobicContact CG-CG2 4.47Å; V395-L428 HydrophobicContact CG1-CB 4.25Å; V395-L428 HydrophobicContact CG1-CD2 3.69Å; V395-L428 VanDerWaalsContact CG1-O 3.29Å; V395-L428 WeakPolarHBondContact CG1-O 3.36Å
396I95Very high93.4Very high3 Ų352.7 Ų52.72%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-130.6147.5-179.1-63.3159.5000109.1R381 I382 A414 W426 L428R381-I396 CarbonylContact C-O 3.59Å; R381-I396 VanDerWaalsContact CA-O 3.29Å; R381-I396 WeakPolarHBondContact CA-O 3.47Å; I382-I396 HydrophobicContact CB-CB 4.15Å; I382-I396 HydrophobicContact CD1-CD1 4.01Å; I382-I396 HydrophobicContact CG1-CB 4.48Å; I382-I396 PolarHBondContact N-O 2.89Å; I382-I396 PolarHBondContact O-N 3.26Å; I382-I396 VanDerWaalsContact O-N 3.15Å; I396-A414 HydrophobicContact CD1-CB 4.06Å; I396-W426 HydrophobicContact CB-CD2 4.39Å; I396-W426 HydrophobicContact CB-CE3 4.39Å; I396-W426 HydrophobicContact CD1-CB 3.38Å; I396-W426 HydrophobicContact CD1-CD2 4.17Å; I396-W426 HydrophobicContact CD1-CE3 4.5Å; I396-W426 HydrophobicContact CD1-CG 3.69Å; I396-W426 HydrophobicContact CG1-CB 4.03Å; I396-W426 HydrophobicContact CG1-CD2 3.99Å; I396-W426 HydrophobicContact CG1-CE3 3.9Å; I396-W426 HydrophobicContact CG1-CG 4.07Å; I396-W426 HydrophobicContact CG2-CD2 3.5Å; I396-W426 HydrophobicContact CG2-CE3 3.77Å; I396-W426 HydrophobicContact CG2-CG 3.97Å; I396-W426 HydrophobicContact CG2-CH2 4.07Å; I396-W426 HydrophobicContact CG2-CZ2 3.82Å; I396-W426 HydrophobicContact CG2-CZ3 4.04Å; I396-L428 HydrophobicContact CD1-CD2 3.47Å; I396-L428 VanDerWaalsContact CD1-CD2 3.47Å; I396-L428 HydrophobicContact CD1-CG 4.5Å; I396-L428 HydrophobicContact CG1-CD2 4.3Å
397K95.2Very high93.6Very high136 Ų13653.5 Ų53.559%0.59128%0.275SS*.EExtended strand (participates in β ladder)trans-135.4121.5167.4-178.5179.4179.1-169.10109.1R381R381-K397 HydrophobicContact CG-CB 4.31Å; R381-K397 HydrophobicContact CG-CG 4.05Å
398E94.5Very high93.9Very high7 Ų753.3 Ų53.33%0.03328%0.275CS..  trans-91.2151172-76.1-72.1-173.200111.1N380 V418 H424 W426N380-E398 HydrophobicContact CB-CB 4.04Å; N380-E398 WeakPolarHBondContact CB-O 3.35Å; N380-E398 PolarHBondContact O-N 2.6Å; E398-V418 HydrophobicContact CG-CG2 4.25Å; E398-H424 VanDerWaalsContact CD-ND1 3.29Å; E398-H424 WeakPolarHBondContact OE1-CB 3.48Å; E398-H424 IonicContact OE1-CE1 2.7Å; E398-H424 IonicContact OE1-CG 3.48Å; E398-H424 IonicContact OE1-ND1 3.61Å; E398-H424 PolarHBondContact OE1-ND1 3.45Å; E398-H424 IonicContact OE2-CE1 3.12Å; E398-H424 IonicContact OE2-ND1 3.82Å; E398-H424 PolarHBondContact OE2-ND1 2.85Å; E398-H424 VanDerWaalsContact OE2-ND1 3.14Å; E398-W426 HydrophobicContact CG-CZ2 4.42Å; E398-W426 PolarHBondContact OE1-NE1 2.58Å
399D91.5Very high94.1Very high145 Ų14554.5 Ų54.578%0.77528%0.275SS*.SBendtrans-85.1-23.8177.3-67.4-38.5000112.2
400A91.7Very high94.3Very high19 Ų1954.7 Ų54.716%0.15728%0.282CS..SBendtrans-114.6171.3179.900000111.7N380 L402 V418 Q421N380-A400 VanDerWaalsContact CB-O 3.32Å; N380-A400 WeakPolarHBondContact CB-O 3.4Å; N380-A400 PolarHBondContact ND2-O 3.2Å; N380-A400 VanDerWaalsContact ND2-O 3.12Å; A400-L402 PolarHBondContact O-N 2.87Å; A400-L402 VanDerWaalsContact O-N 3.1Å; A400-V418 HydrophobicContact CB-CG1 3.64Å; A400-Q421 HydrophobicContact CB-CG 4.33Å
401S92.7Very high94.6Very high41 Ų4151.9 Ų51.929%0.28727%0.266SS..  trans-60.5114.2-175-169.80000111.4N380 M403 A419N380-S401 WeakPolarHBondContact OD1-CA 3.28Å; S401-M403 PolarHBondContact O-N 3.47Å; S401-M403 PolarHBondContact OG-SD 3.04Å; S401-A419 PolarHBondContact O-N 3.32Å
402L93.9Very high94.7Very high1 Ų152.5 Ų52.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-81.3110174.1178.361.5000108.8R362 A376 N380 I382 A400 Y404 C416 V418R362-L402 VanDerWaalsContact CD-O 3.24Å; R362-L402 WeakPolarHBondContact CD-O 3.18Å; A376-L402 HydrophobicContact CB-CD2 3.68Å; A376-L402 HydrophobicContact CB-CG 4.41Å; N380-L402 HydrophobicContact CB-CB 4.25Å; N380-L402 PolarHBondContact OD1-N 3.12Å; N380-L402 VanDerWaalsContact OD1-N 3.13Å; I382-L402 HydrophobicContact CD1-CD2 4.06Å; I382-L402 HydrophobicContact CG1-CD2 3.64Å; A400-L402 PolarHBondContact O-N 2.87Å; A400-L402 VanDerWaalsContact O-N 3.1Å; L402-Y404 WeakPolarHBondContact CD1-O 3.22Å; L402-C416 HydrophobicContact CD1-CB 3.56Å; L402-V418 HydrophobicContact CD1-CG2 4.41Å
403M92.7Very high94.8Very high30 Ų3050.1 Ų50.115%0.14825%0.248CC..EExtended strand (participates in β ladder)trans-89-41.6-175.5-58.3-53.1-66.200111.7S401 S417 A419S401-M403 PolarHBondContact O-N 3.47Å; S401-M403 PolarHBondContact OG-SD 3.04Å; M403-S417 PolarHBondContact N-O 3.36Å; M403-A419 HydrophobicContact CG-CB 4.16Å; M403-A419 HydrophobicContact SD-CB 4.39Å
404Y94.6Very high95Very high11 Ų1143 Ų434%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-152.6157.4-178.9176.6-103.1000110.6Y279 V363 L402 C406 C416 S417 F448 S449Y279-Y404 AromaticContact CE2-CE2 3.92Å; Y279-Y404 HydrophobicContact CE2-CE2 3.92Å; V363-Y404 HydrophobicContact CG1-CD2 4.1Å; V363-Y404 HydrophobicContact CG1-CE2 3.97Å; V363-Y404 HydrophobicContact CG2-CD2 3.6Å; V363-Y404 HydrophobicContact CG2-CE2 4.26Å; V363-Y404 HydrophobicContact CG2-CG 4.46Å; L402-Y404 WeakPolarHBondContact CD1-O 3.22Å; Y404-C406 HydrophobicContact CE1-CB 3.83Å; Y404-C416 CarbonylContact O-C 3.58Å; Y404-C416 WeakPolarHBondContact O-CA 3.33Å; Y404-S417 PolarHBondContact N-O 3.43Å; Y404-S417 PolarHBondContact O-N 2.9Å; Y404-F448 HydrophobicContact CD1-CD1 4.38Å; Y404-F448 AromaticContact CD2-CD1 3.46Å; Y404-F448 HydrophobicContact CD2-CD1 3.46Å; Y404-F448 VanDerWaalsContact CD2-CD1 3.46Å; Y404-F448 AromaticContact CD2-CE1 3.8Å; Y404-F448 HydrophobicContact CD2-CE1 3.8Å; Y404-F448 HydrophobicContact CE1-CD1 4.45Å; Y404-F448 AromaticContact CE2-CD1 3.59Å; Y404-F448 HydrophobicContact CE2-CD1 3.59Å; Y404-F448 HydrophobicContact CE2-CE1 4.09Å; Y404-F448 AromaticContact CG-CD1 3.9Å; Y404-F448 HydrophobicContact CG-CD1 3.9Å; Y404-F448 HydrophobicContact CG-CE1 4.5Å; Y404-S449 VanDerWaalsContact CE1-O 3.31Å; Y404-S449 WeakPolarHBondContact CE1-O 3.13Å
405F96.5Very high95Very high3 Ų339.6 Ų39.61%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-142.7151.8163.277.4-82.3000111.3V363 H365 L374 A376 I382 I407 L415V363-F405 HydrophobicContact CB-CD1 3.93Å; V363-F405 HydrophobicContact CB-CE1 3.76Å; V363-F405 HydrophobicContact CG1-CD1 3.96Å; V363-F405 HydrophobicContact CG1-CE1 3.74Å; V363-F405 HydrophobicContact CG1-CZ 4.33Å; V363-F405 WeakPolarHBondContact O-CE1 3.45Å; H365-F405 HydrophobicContact CB-CE2 3.96Å; H365-F405 HydrophobicContact CB-CZ 4.06Å; L374-F405 HydrophobicContact CB-CE2 4.22Å; L374-F405 HydrophobicContact CB-CZ 4.12Å; A376-F405 HydrophobicContact CB-CD1 3.56Å; A376-F405 HydrophobicContact CB-CE1 3.55Å; I382-F405 HydrophobicContact CD1-CB 3.96Å; I382-F405 HydrophobicContact CD1-CD1 4.07Å; I382-F405 HydrophobicContact CD1-CD2 4.08Å; I382-F405 HydrophobicContact CD1-CG 3.76Å; I382-F405 HydrophobicContact CG1-CD1 4.39Å; I382-F405 HydrophobicContact CG2-CZ 4.47Å; F405-I407 HydrophobicContact CD2-CD1 3.62Å; F405-I407 HydrophobicContact CD2-CG1 4.06Å; F405-I407 HydrophobicContact CE2-CD1 3.67Å; F405-I407 HydrophobicContact CE2-CG1 3.79Å; F405-L415 CarbonylContact C-O 3.6Å; F405-L415 WeakPolarHBondContact CA-O 3.29Å; F405-L415 WeakPolarHBondContact CB-O 3.33Å
406C96.2Very high95Very high14 Ų1438.3 Ų38.310%0.09519%0.193CC..EExtended strand (participates in β ladder)trans-128.2159.2165.462.50000110.7Y404 A414 L415 S449Y404-C406 HydrophobicContact CE1-CB 3.83Å; C406-A414 CarbonylContact O-C 3.58Å; C406-A414 WeakPolarHBondContact O-CA 3.29Å; C406-L415 PolarHBondContact N-O 3.49Å; C406-L415 PolarHBondContact O-N 2.93Å; C406-S449 PolarHBondContact SG-O 2.59Å
407I97.2Very high95Very high18 Ų1838.2 Ų38.29%0.09219%0.192CC..EExtended strand (participates in β ladder)trans-112.2143.6-176.6-57.5-54.4000108.8H365 L374 F405 E411 Y413 A414 L428H365-I407 HydrophobicContact CB-CG1 4.23Å; L374-I407 HydrophobicContact CD1-CD1 3.92Å; L374-I407 HydrophobicContact CD1-CG1 4.15Å; F405-I407 HydrophobicContact CD2-CD1 3.62Å; F405-I407 HydrophobicContact CD2-CG1 4.06Å; F405-I407 HydrophobicContact CE2-CD1 3.67Å; F405-I407 HydrophobicContact CE2-CG1 3.79Å; I407-E411 HydrophobicContact CG2-CB 4.19Å; I407-E411 HydrophobicContact CG2-CG 4.31Å; I407-Y413 WeakPolarHBondContact CA-O 3.39Å; I407-A414 HydrophobicContact CD1-CB 3.5Å; I407-L428 HydrophobicContact CD1-CD1 3.85Å; I407-L428 HydrophobicContact CG2-CD1 4.47Å
408D96.3Very high94.9Very high7 Ų731.7 Ų31.74%0.03716%0.164CC..  trans-74.2160.6173.983.4-54000111.3S410 E411 R412 Y413 F451 E456D408-S410 PolarHBondContact O-N 3.26Å; D408-S410 PolarHBondContact OD1-OG 3.35Å; D408-S410 WeakPolarHBondContact OD2-CB 3.3Å; D408-S410 PolarHBondContact OD2-N 2.86Å; D408-S410 PolarHBondContact OD2-OG 3.03Å; D408-E411 PolarHBondContact O-N 2.84Å; D408-E411 PolarHBondContact OD1-N 3.03Å; D408-R412 PolarHBondContact OD1-N 3.39Å; D408-Y413 PolarHBondContact N-O 3.19Å; D408-Y413 PolarHBondContact OD1-N 3.07Å; D408-F451 HydrophobicContact CB-CD1 4.37Å; D408-F451 HydrophobicContact CB-CD2 4.18Å; D408-F451 HydrophobicContact CB-CE1 4.2Å; D408-F451 HydrophobicContact CB-CE2 3.99Å; D408-F451 HydrophobicContact CB-CG 4.36Å; D408-F451 HydrophobicContact CB-CZ 3.99Å; D408-E456 WeakPolarHBondContact CA-OE2 3.25Å; D408-E456 WeakPolarHBondContact CB-OE2 3.32Å
409K94.1Very high94.7Very high131 Ų13132 Ų3257%0.5717%0.168SC*.THydrogen-bonded Turntrans-56.7-25.4-179.8-80.1166.7-172.2-174.40114E411 E456K409-E411 VanDerWaalsContact C-N 3.33Å; K409-E456 WeakPolarHBondContact CB-OE2 3.48Å; K409-E456 HydrophobicContact CD-CG 4.3Å; K409-E456 WeakPolarHBondContact CD-OE1 3.35Å; K409-E456 WeakPolarHBondContact CE-OE1 3.46Å; K409-E456 VanDerWaalsContact CG-OE1 3.25Å; K409-E456 WeakPolarHBondContact CG-OE1 3.26Å; K409-E456 PolarHBondContact N-OE2 2.86Å
410S94.1Very high94.5Very high76 Ų7632.3 Ų32.353%0.53116%0.164SC..THydrogen-bonded Turntrans-83.5-7.9177.679.50000114.1D408 R412D408-S410 PolarHBondContact O-N 3.26Å; D408-S410 PolarHBondContact OD1-OG 3.35Å; D408-S410 WeakPolarHBondContact OD2-CB 3.3Å; D408-S410 PolarHBondContact OD2-N 2.86Å; D408-S410 PolarHBondContact OD2-OG 3.03Å; S410-R412 PolarHBondContact O-N 3.01Å; S410-R412 VanDerWaalsContact O-N 3.15Å; S410-R412 WeakPolarHBondContact OG-CB 3.29Å; S410-R412 PolarHBondContact OG-N 2.9Å
411E95.7Very high94.5Very high31 Ų3135.6 Ų35.615%0.14518%0.176CC..SBendtrans5619.7-172.1-50-165.8131.300115.3H365 K367 H368 I407 D408 K409 L428H365-E411 IonicContact CE1-OE1 3.87Å; K367-E411 WeakPolarHBondContact CA-OE1 3.41Å; K367-E411 WeakPolarHBondContact CB-OE1 3.45Å; K367-E411 WeakPolarHBondContact CE-OE2 3.2Å; K367-E411 IonicContact NZ-OE2 3.54Å; H368-E411 IonicContact CE1-OE1 2.94Å; H368-E411 IonicContact CG-OE1 2.99Å; H368-E411 PolarHBondContact N-OE1 3.45Å; H368-E411 WeakPolarHBondContact ND1-CG 3.28Å; H368-E411 IonicContact ND1-OE1 3.47Å; H368-E411 PolarHBondContact ND1-OE1 3.25Å; H368-E411 IonicContact ND1-OE2 2.97Å; I407-E411 HydrophobicContact CG2-CB 4.19Å; I407-E411 HydrophobicContact CG2-CG 4.31Å; D408-E411 PolarHBondContact O-N 2.84Å; D408-E411 PolarHBondContact OD1-N 3.03Å; K409-E411 VanDerWaalsContact C-N 3.33Å; E411-L428 WeakPolarHBondContact O-CD1 3.43Å
412R96.1Very high94.4Very high86 Ų8633.9 Ų33.933%0.32517%0.165SC..SBendtrans-92.5-22.4179.2-174.3159.6-176.7-85.2-19.7111.7D408 S410 D427 L428 E429D408-R412 PolarHBondContact OD1-N 3.39Å; S410-R412 PolarHBondContact O-N 3.01Å; S410-R412 VanDerWaalsContact O-N 3.15Å; S410-R412 WeakPolarHBondContact OG-CB 3.29Å; S410-R412 PolarHBondContact OG-N 2.9Å; R412-D427 IonicContact CZ-OD2 3.97Å; R412-D427 IonicContact NH2-OD1 2.85Å; R412-D427 IonicContact NH2-OD2 3.36Å; R412-D427 PolarHBondContact NH2-OD2 2.97Å; R412-L428 PolarHBondContact O-N 3.47Å; R412-E429 IonicContact CZ-OE2 2.7Å; R412-E429 IonicContact NE-OE2 3.7Å; R412-E429 PolarHBondContact NE-OE2 3.19Å; R412-E429 IonicContact NH2-OE2 3.61Å
413Y97.7Very high94.4Very high46 Ų4633.9 Ų33.918%0.1817%0.165CC..EExtended strand (participates in β ladder)trans-132.2142.3-173.3-57.9-94.3000113.1I407 D408 L425 W426 D427 V434I407-Y413 WeakPolarHBondContact CA-O 3.39Å; D408-Y413 PolarHBondContact N-O 3.19Å; D408-Y413 PolarHBondContact OD1-N 3.07Å; Y413-L425 HydrophobicContact CD1-CD1 4.32Å; Y413-L425 HydrophobicContact CD1-CD2 4.5Å; Y413-L425 HydrophobicContact CD1-CG 4.34Å; Y413-L425 HydrophobicContact CG-CD1 4.44Å; Y413-W426 CarbonylContact C-O 3.55Å; Y413-W426 WeakPolarHBondContact CA-O 3.25Å; Y413-W426 WeakPolarHBondContact CB-O 3.37Å; Y413-D427 HydrophobicContact CD1-CB 4.21Å; Y413-D427 HydrophobicContact CE1-CB 4.19Å; Y413-V434 HydrophobicContact CD1-CG2 4.29Å; Y413-V434 HydrophobicContact CE1-CG2 4.14Å
414A97.8Very high94.6Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-114.7132.4173.500000110I382 I396 C406 I407 L425 W426 L428I382-A414 HydrophobicContact CD1-CB 4.49Å; I396-A414 HydrophobicContact CD1-CB 4.06Å; C406-A414 CarbonylContact O-C 3.58Å; C406-A414 WeakPolarHBondContact O-CA 3.29Å; I407-A414 HydrophobicContact CD1-CB 3.5Å; A414-L425 WeakPolarHBondContact O-CA 3.42Å; A414-W426 PolarHBondContact N-O 3.01Å; A414-W426 PolarHBondContact O-N 2.87Å; A414-L428 HydrophobicContact CB-CD1 4.32Å; A414-L428 HydrophobicContact CB-CD2 4Å; A414-L428 HydrophobicContact CB-CG 4.15Å
415L97.2Very high94.7Very high0 Ų032.1 Ų32.10%016%0.157CC..EExtended strand (participates in β ladder)trans-100119.1169.2-178.369.7000108.5F405 C406 L423 H424 Y437 S449 F451 L459F405-L415 CarbonylContact C-O 3.6Å; F405-L415 WeakPolarHBondContact CA-O 3.29Å; F405-L415 WeakPolarHBondContact CB-O 3.33Å; C406-L415 PolarHBondContact N-O 3.49Å; C406-L415 PolarHBondContact O-N 2.93Å; L415-L423 HydrophobicContact CD1-CB 3.87Å; L415-L423 HydrophobicContact CD1-CD1 4.25Å; L415-L423 HydrophobicContact CD2-CD1 4.37Å; L415-H424 WeakPolarHBondContact CA-O 3.12Å; L415-Y437 HydrophobicContact CD1-CE2 4.44Å; L415-S449 WeakPolarHBondContact CD2-OG 3.45Å; L415-F451 HydrophobicContact CB-CD2 4.32Å; L415-F451 HydrophobicContact CB-CE1 4.35Å; L415-F451 HydrophobicContact CB-CE2 3.51Å; L415-F451 HydrophobicContact CB-CZ 3.53Å; L415-L459 HydrophobicContact CD1-CD1 3.76Å; L415-L459 HydrophobicContact CD1-CD2 4.32Å; L415-L459 HydrophobicContact CD2-CB 4.39Å; L415-L459 HydrophobicContact CD2-CD2 4.04Å
416C95.5Very high94.8Very high0 Ų033.2 Ų33.20%016%0.161CC..EExtended strand (participates in β ladder)trans-109.6126.1-175.7-62.70000110.2L402 Y404 V418 L423 H424L402-C416 HydrophobicContact CD1-CB 3.56Å; Y404-C416 CarbonylContact O-C 3.58Å; Y404-C416 WeakPolarHBondContact O-CA 3.33Å; C416-V418 HydrophobicContact CB-CG2 4.02Å; C416-L423 CarbonylContact O-C 3.54Å; C416-L423 VanDerWaalsContact O-CA 3.32Å; C416-L423 WeakPolarHBondContact O-CA 3.33Å; C416-H424 HydrophobicContact CB-CB 4.29Å; C416-H424 PolarHBondContact N-O 2.82Å; C416-H424 PolarHBondContact O-N 2.72Å
417S94Very high94.8Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-83.9110.1167.1-55.90000108.8M403 Y404 I447 S449M403-S417 PolarHBondContact N-O 3.36Å; Y404-S417 PolarHBondContact N-O 3.43Å; Y404-S417 PolarHBondContact O-N 2.9Å; S417-I447 WeakPolarHBondContact CB-O 3.23Å; S417-I447 PolarHBondContact OG-O 3.17Å; S417-S449 PolarHBondContact OG-OG 2.9Å
418V93.1Very high94.8Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-113.2126.1-173.6-173.90000109.7E398 A400 L402 C416 Q420 Q421 G422 H424E398-V418 HydrophobicContact CG-CG2 4.25Å; A400-V418 HydrophobicContact CB-CG1 3.64Å; L402-V418 HydrophobicContact CD1-CG2 4.41Å; C416-V418 HydrophobicContact CB-CG2 4.02Å; V418-Q420 PolarHBondContact O-N 3.21Å; V418-Q421 HydrophobicContact CB-CB 4.16Å; V418-Q421 HydrophobicContact CG1-CB 3.97Å; V418-Q421 HydrophobicContact CG1-CG 4.32Å; V418-Q421 PolarHBondContact O-N 2.99Å; V418-Q421 VanDerWaalsContact O-N 3.12Å; V418-G422 PolarHBondContact N-O 2.81Å; V418-G422 PolarHBondContact O-N 3.39Å; V418-H424 HydrophobicContact CG2-CB 4.28Å
419A90.6Very high94.7Very high14 Ų1440 Ų4012%0.11619%0.192CC..THydrogen-bonded Turntrans-55.9129.3-177.400000111.2S401 M403 Q421S401-A419 PolarHBondContact O-N 3.32Å; M403-A419 HydrophobicContact CG-CB 4.16Å; M403-A419 HydrophobicContact SD-CB 4.39Å; A419-Q421 PolarHBondContact O-N 2.9Å
420Q87.9Confident94.8Very high151 Ų15137.6 Ų37.671%0.70619%0.188SC*.THydrogen-bonded Turntrans62.13.1179.1-52.3178.96.800115.6V418 Q442V418-Q420 PolarHBondContact O-N 3.21Å; Q420-Q442 WeakPolarHBondContact CA-O 3.32Å; Q420-Q442 PolarHBondContact N-O 2.58Å
421Q89.8Confident94.8Very high88 Ų8835.5 Ų35.541%0.41118%0.178SC..THydrogen-bonded Turntrans-118.7-9.8-178-62.4-171.8-10.100113.3A400 V418 A419 H424A400-Q421 HydrophobicContact CB-CG 4.33Å; V418-Q421 HydrophobicContact CB-CB 4.16Å; V418-Q421 HydrophobicContact CG1-CB 3.97Å; V418-Q421 HydrophobicContact CG1-CG 4.32Å; V418-Q421 PolarHBondContact O-N 2.99Å; V418-Q421 VanDerWaalsContact O-N 3.12Å; A419-Q421 PolarHBondContact O-N 2.9Å; Q421-H424 PolarHBondContact OE1-CE1 3.32Å
422G91Very high94.8Very high5 Ų537.4 Ų37.45%0.05219%0.192CC..EExtended strand (participates in β ladder)trans83.5-141.8-179.700000111.2V418V418-G422 PolarHBondContact N-O 2.81Å; V418-G422 PolarHBondContact O-N 3.39Å
423L95.1Very high94.9Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-101.5136.6-177.9-51.6175.6000111.7L415 C416 Y437 W471L415-L423 HydrophobicContact CD1-CB 3.87Å; L415-L423 HydrophobicContact CD1-CD1 4.25Å; L415-L423 HydrophobicContact CD2-CD1 4.37Å; C416-L423 CarbonylContact O-C 3.54Å; C416-L423 VanDerWaalsContact O-CA 3.32Å; C416-L423 WeakPolarHBondContact O-CA 3.33Å; L423-Y437 HydrophobicContact CB-CD2 4.01Å; L423-Y437 PolarHBondContact N-O 2.82Å; L423-Y437 WeakPolarHBondContact O-CD2 3.34Å; L423-Y437 PolarHBondContact O-N 3.24Å; L423-W471 HydrophobicContact CD1-CE3 3.98Å; L423-W471 HydrophobicContact CD1-CH2 3.94Å; L423-W471 HydrophobicContact CD1-CZ3 3.6Å; L423-W471 HydrophobicContact CG-CH2 4.48Å
424H95.9Very high94.8Very high1 Ų136.3 Ų36.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-116129.6174.2-71.2-179.9000110.4E398 L415 C416 V418 Q421 L433 R436E398-H424 VanDerWaalsContact CD-ND1 3.29Å; E398-H424 WeakPolarHBondContact OE1-CB 3.48Å; E398-H424 IonicContact OE1-CE1 2.7Å; E398-H424 IonicContact OE1-CG 3.48Å; E398-H424 IonicContact OE1-ND1 3.61Å; E398-H424 PolarHBondContact OE1-ND1 3.45Å; E398-H424 IonicContact OE2-CE1 3.12Å; E398-H424 IonicContact OE2-ND1 3.82Å; E398-H424 PolarHBondContact OE2-ND1 2.85Å; E398-H424 VanDerWaalsContact OE2-ND1 3.14Å; L415-H424 WeakPolarHBondContact CA-O 3.12Å; C416-H424 HydrophobicContact CB-CB 4.29Å; C416-H424 PolarHBondContact N-O 2.82Å; C416-H424 PolarHBondContact O-N 2.72Å; V418-H424 HydrophobicContact CG2-CB 4.28Å; Q421-H424 PolarHBondContact OE1-CE1 3.32Å; H424-L433 HydrophobicContact CB-CD1 3.71Å; H424-R436 WeakPolarHBondContact NE2-CD 3.35Å
425L97.4Very high94.7Very high3 Ų339.5 Ų39.52%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-100.6121.9172.6177.374.9000109.8Y413 A414 V434 R435 Y437 F451 R473Y413-L425 HydrophobicContact CD1-CD1 4.32Å; Y413-L425 HydrophobicContact CD1-CD2 4.5Å; Y413-L425 HydrophobicContact CD1-CG 4.34Å; Y413-L425 HydrophobicContact CG-CD1 4.44Å; A414-L425 WeakPolarHBondContact O-CA 3.42Å; L425-V434 HydrophobicContact CD2-CB 4.18Å; L425-V434 HydrophobicContact CD2-CG1 4.17Å; L425-V434 HydrophobicContact CG-CB 4.24Å; L425-V434 WeakPolarHBondContact O-CA 3.48Å; L425-V434 WeakPolarHBondContact O-CB 3.12Å; L425-V434 PolarHBondContact O-N 2.84Å; L425-R435 PolarHBondContact N-O 2.86Å; L425-R435 PolarHBondContact O-N 3.15Å; L425-Y437 HydrophobicContact CB-CE2 3.69Å; L425-Y437 WeakPolarHBondContact CD2-OH 3.48Å; L425-F451 HydrophobicContact CD1-CE1 3.92Å; L425-F451 HydrophobicContact CD1-CZ 3.81Å; L425-R473 HydrophobicContact CD2-CG 4.11Å
426W97.9Very high94.6Very high27 Ų2745.7 Ų45.710%0.10223%0.233CC..EExtended strand (participates in β ladder)trans-111.8146.8178.3-70.684000111.4I396 E398 Y413 A414 T432 L433I396-W426 HydrophobicContact CB-CD2 4.39Å; I396-W426 HydrophobicContact CB-CE3 4.39Å; I396-W426 HydrophobicContact CD1-CB 3.38Å; I396-W426 HydrophobicContact CD1-CD2 4.17Å; I396-W426 HydrophobicContact CD1-CE3 4.5Å; I396-W426 HydrophobicContact CD1-CG 3.69Å; I396-W426 HydrophobicContact CG1-CB 4.03Å; I396-W426 HydrophobicContact CG1-CD2 3.99Å; I396-W426 HydrophobicContact CG1-CE3 3.9Å; I396-W426 HydrophobicContact CG1-CG 4.07Å; I396-W426 HydrophobicContact CG2-CD2 3.5Å; I396-W426 HydrophobicContact CG2-CE3 3.77Å; I396-W426 HydrophobicContact CG2-CG 3.97Å; I396-W426 HydrophobicContact CG2-CH2 4.07Å; I396-W426 HydrophobicContact CG2-CZ2 3.82Å; I396-W426 HydrophobicContact CG2-CZ3 4.04Å; E398-W426 HydrophobicContact CG-CZ2 4.42Å; E398-W426 PolarHBondContact OE1-NE1 2.58Å; Y413-W426 CarbonylContact C-O 3.55Å; Y413-W426 WeakPolarHBondContact CA-O 3.25Å; Y413-W426 WeakPolarHBondContact CB-O 3.37Å; A414-W426 PolarHBondContact N-O 3.01Å; A414-W426 PolarHBondContact O-N 2.87Å; W426-T432 WeakPolarHBondContact CA-O 3.33Å; W426-L433 HydrophobicContact CD2-CB 4.15Å; W426-L433 HydrophobicContact CD2-CD1 4.04Å; W426-L433 HydrophobicContact CE3-CB 4.07Å; W426-L433 HydrophobicContact CG-CD1 4.26Å; W426-L433 HydrophobicContact CH2-CB 3.93Å; W426-L433 HydrophobicContact CZ2-CB 4Å; W426-L433 HydrophobicContact CZ2-CD1 4.01Å; W426-L433 HydrophobicContact CZ2-CG 4.46Å; W426-L433 HydrophobicContact CZ3-CB 3.97Å
427D97.3Very high94.5Very high10 Ų1045.7 Ų45.75%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-93.4115.9165.3178.5-14.3000108.4R412 Y413 E429 T430 G431 T432 V434R412-D427 IonicContact CZ-OD2 3.97Å; R412-D427 IonicContact NH2-OD1 2.85Å; R412-D427 IonicContact NH2-OD2 3.36Å; R412-D427 PolarHBondContact NH2-OD2 2.97Å; Y413-D427 HydrophobicContact CD1-CB 4.21Å; Y413-D427 HydrophobicContact CE1-CB 4.19Å; D427-E429 VanDerWaalsContact C-N 3.32Å; D427-E429 PolarHBondContact O-N 2.99Å; D427-E429 WeakPolarHBondContact OD1-CB 3.12Å; D427-E429 PolarHBondContact OD1-N 2.94Å; D427-T430 WeakPolarHBondContact CB-OG1 3.43Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 PolarHBondContact OD2-OG1 3.38Å; D427-G431 VanDerWaalsContact O-CA 3.27Å; D427-G431 WeakPolarHBondContact O-CA 3.49Å; D427-G431 PolarHBondContact O-N 3.4Å; D427-T432 PolarHBondContact N-O 2.85Å; D427-T432 PolarHBondContact O-N 2.8Å; D427-V434 HydrophobicContact CB-CG2 3.75Å
428L96.5Very high94.2Very high23 Ų2354.6 Ų54.612%0.1227%0.267CS..THydrogen-bonded Turntrans-73.5-22.5-176.3-70.3170.1000113.2L374 V395 I396 I407 E411 R412 A414L374-L428 HydrophobicContact CD1-CD1 3.81Å; L374-L428 HydrophobicContact CD1-CD2 4.33Å; V395-L428 HydrophobicContact CG1-CB 4.25Å; V395-L428 HydrophobicContact CG1-CD2 3.69Å; V395-L428 VanDerWaalsContact CG1-O 3.29Å; V395-L428 WeakPolarHBondContact CG1-O 3.36Å; I396-L428 HydrophobicContact CD1-CD2 3.47Å; I396-L428 VanDerWaalsContact CD1-CD2 3.47Å; I396-L428 HydrophobicContact CD1-CG 4.5Å; I396-L428 HydrophobicContact CG1-CD2 4.3Å; I407-L428 HydrophobicContact CD1-CD1 3.85Å; I407-L428 HydrophobicContact CG2-CD1 4.47Å; E411-L428 WeakPolarHBondContact O-CD1 3.43Å; R412-L428 PolarHBondContact O-N 3.47Å; A414-L428 HydrophobicContact CB-CD1 4.32Å; A414-L428 HydrophobicContact CB-CD2 4Å; A414-L428 HydrophobicContact CB-CG 4.15Å
429E94.5Very high93.2Very high149 Ų14956.2 Ų56.270%0.69628%0.283SS*.THydrogen-bonded Turntrans-79.6-43.4180-175.4-179.9-170.200110.6R412 D427R412-E429 IonicContact CZ-OE2 2.7Å; R412-E429 IonicContact NE-OE2 3.7Å; R412-E429 PolarHBondContact NE-OE2 3.19Å; R412-E429 IonicContact NH2-OE2 3.61Å; D427-E429 VanDerWaalsContact C-N 3.32Å; D427-E429 PolarHBondContact O-N 2.99Å; D427-E429 WeakPolarHBondContact OD1-CB 3.12Å; D427-E429 PolarHBondContact OD1-N 2.94Å
430T95Very high91.9Very high79 Ų7956 Ų5649%0.48528%0.283SS..THydrogen-bonded Turntrans-91.9-16.4-179.261.70000113.3D427 T432D427-T430 WeakPolarHBondContact CB-OG1 3.43Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 PolarHBondContact OD2-OG1 3.38Å; T430-T432 VanDerWaalsContact C-N 3.25Å; T430-T432 PolarHBondContact O-N 3.36Å; T430-T432 PolarHBondContact OG1-OG1 3.15Å
431G95Very high90.7Very high32 Ų3250.2 Ų50.233%0.3326%0.264SS..THydrogen-bonded Turntrans6727.1-175.100000112.7D427D427-G431 VanDerWaalsContact O-CA 3.27Å; D427-G431 WeakPolarHBondContact O-CA 3.49Å; D427-G431 PolarHBondContact O-N 3.4Å
432T96.3Very high89.6Confident72 Ų7246.6 Ų46.644%0.44225%0.247SC..EExtended strand (participates in β ladder)trans-109.8142.7-175.1630000111.9W426 D427 T430 V434W426-T432 WeakPolarHBondContact CA-O 3.33Å; D427-T432 PolarHBondContact N-O 2.85Å; D427-T432 PolarHBondContact O-N 2.8Å; T430-T432 VanDerWaalsContact C-N 3.25Å; T430-T432 PolarHBondContact O-N 3.36Å; T430-T432 PolarHBondContact OG1-OG1 3.15Å; T432-V434 PolarHBondContact O-N 3.04Å
433L96.5Very high88.4Confident45 Ų4547.2 Ų47.224%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-74.8118171179.670.9000109H424 W426 R436H424-L433 HydrophobicContact CB-CD1 3.71Å; W426-L433 HydrophobicContact CD2-CB 4.15Å; W426-L433 HydrophobicContact CD2-CD1 4.04Å; W426-L433 HydrophobicContact CE3-CB 4.07Å; W426-L433 HydrophobicContact CG-CD1 4.26Å; W426-L433 HydrophobicContact CH2-CB 3.93Å; W426-L433 HydrophobicContact CZ2-CB 4Å; W426-L433 HydrophobicContact CZ2-CD1 4.01Å; W426-L433 HydrophobicContact CZ2-CG 4.46Å; W426-L433 HydrophobicContact CZ3-CB 3.97Å; L433-R436 HydrophobicContact CD2-CG 3.87Å; L433-R436 VanDerWaalsContact CD2-NH1 3.32Å
434V95.9Very high87.8Confident63 Ų6356 Ų5638%0.38229%0.288SS..EExtended strand (participates in β ladder)trans-84-50.1-177.4-174.40000110.2Y413 L425 D427 T432Y413-V434 HydrophobicContact CD1-CG2 4.29Å; Y413-V434 HydrophobicContact CE1-CG2 4.14Å; L425-V434 HydrophobicContact CD2-CB 4.18Å; L425-V434 HydrophobicContact CD2-CG1 4.17Å; L425-V434 HydrophobicContact CG-CB 4.24Å; L425-V434 WeakPolarHBondContact O-CA 3.48Å; L425-V434 WeakPolarHBondContact O-CB 3.12Å; L425-V434 PolarHBondContact O-N 2.84Å; D427-V434 HydrophobicContact CB-CG2 3.75Å; T432-V434 PolarHBondContact O-N 3.04Å
435R95.7Very high87.3Confident68 Ų6861.8 Ų61.826%0.25731%0.31SS..EExtended strand (participates in β ladder)trans-152155.9-176.9-72.8-174.7-171-76.27112.9L425 Y437 R473 E474 E476L425-R435 PolarHBondContact N-O 2.86Å; L425-R435 PolarHBondContact O-N 3.15Å; R435-Y437 HydrophobicContact CB-CE2 4.11Å; R435-R473 WeakPolarHBondContact CD-O 3.29Å; R435-E474 VanDerWaalsContact CZ-O 3.28Å; R435-E474 IonicContact CZ-OE2 2.75Å; R435-E474 IonicContact NE-OE2 3Å; R435-E474 PolarHBondContact NH2-O 2.95Å; R435-E474 IonicContact NH2-OE2 3.51Å; R435-E474 PolarHBondContact NH2-OE2 3.2Å; R435-E476 IonicContact NH1-OE1 2.75Å
436R95.2Very high86.8Confident129 Ų12964.1 Ų64.149%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-116.6121.9167.6-60.7-170.7172.285.6-3.2109.2H424 L433 E476H424-R436 WeakPolarHBondContact NE2-CD 3.35Å; L433-R436 HydrophobicContact CD2-CG 3.87Å; L433-R436 VanDerWaalsContact CD2-NH1 3.32Å; R436-E476 WeakPolarHBondContact O-CB 3.26Å; R436-E476 WeakPolarHBondContact O-CG 3.48Å
437Y94.8Very high86.5Confident0 Ų062.9 Ų62.90%032%0.32CS..EExtended strand (participates in β ladder)trans-94.4123.6177.7-55.7-86.5000109.4L415 L423 L425 R435 L459 W471 R473 S475 E476L415-Y437 HydrophobicContact CD1-CE2 4.44Å; L423-Y437 HydrophobicContact CB-CD2 4.01Å; L423-Y437 PolarHBondContact N-O 2.82Å; L423-Y437 WeakPolarHBondContact O-CD2 3.34Å; L423-Y437 PolarHBondContact O-N 3.24Å; L425-Y437 HydrophobicContact CB-CE2 3.69Å; L425-Y437 WeakPolarHBondContact CD2-OH 3.48Å; R435-Y437 HydrophobicContact CB-CE2 4.11Å; Y437-L459 HydrophobicContact CD1-CD1 4.07Å; Y437-L459 HydrophobicContact CD2-CD1 3.73Å; Y437-L459 HydrophobicContact CE1-CD1 3.68Å; Y437-L459 HydrophobicContact CE2-CD1 3.31Å; Y437-L459 HydrophobicContact CG-CD1 4.09Å; Y437-W471 HydrophobicContact CD1-CB 3.88Å; Y437-W471 AromaticContact CD1-CD1 3.8Å; Y437-W471 AromaticContact CD1-CG 3.91Å; Y437-W471 HydrophobicContact CD1-CG 3.91Å; Y437-W471 HydrophobicContact CE1-CB 4.37Å; Y437-W471 HydrophobicContact CG-CG 4.32Å; Y437-R473 PolarHBondContact OH-O 2.86Å; Y437-S475 WeakPolarHBondContact CD1-O 3.3Å; Y437-S475 WeakPolarHBondContact CE1-O 3.45Å; Y437-E476 WeakPolarHBondContact CA-O 3.37Å
438R86.3Confident86.4Confident187 Ų18763.6 Ų63.671%0.70632%0.323SS*.BIsolated β-bridgetrans-94.3145.1179.9-58.7-178.5-174.5-174.11.7109.5W471 E476R438-W471 PolarHBondContact O-NE1 2.84Å; R438-E476 PolarHBondContact N-O 2.8Å
439G72.7Confident86.4Confident34 Ų3462.6 Ų62.635%0.35132%0.318SS..  trans115.4156.2-177.700000112.2
440G63.6Low86.5Confident11 Ų1156.3 Ų56.311%0.11329%0.29CS..SBendtrans76.2108.4-171.300000111.3Q442 Y469G440-Q442 WeakPolarHBondContact O-CG 3.4Å; G440-Q442 PolarHBondContact O-N 3.07Å; G440-Y469 VanDerWaalsContact CA-CE2 3.45Å
441G63.1Low86.6Confident29 Ų2953.3 Ų53.330%0.29927%0.27SS..  trans-62.3104.3167.800000108.3S463 E464G441-S463 PolarHBondContact N-OG 3.27Å; G441-E464 WeakPolarHBondContact O-CB 3.12Å; G441-E464 VanDerWaalsContact O-CG 3.32Å; G441-E464 WeakPolarHBondContact O-CG 3.35Å; G441-E464 PolarHBondContact O-N 2.9Å
442Q65.9Low86.6Confident12 Ų1252 Ų526%0.05626%0.257CS..  trans-114.3124.1171-39.5-166.9-2.100105.9Q420 G440 I447 S461Q420-Q442 WeakPolarHBondContact CA-O 3.32Å; Q420-Q442 PolarHBondContact N-O 2.58Å; G440-Q442 WeakPolarHBondContact O-CG 3.4Å; G440-Q442 PolarHBondContact O-N 3.07Å; Q442-I447 HydrophobicContact CB-CD1 3.98Å; Q442-I447 HydrophobicContact CG-CD1 3.82Å; Q442-S461 PolarHBondContact NE2-OG 2.96Å
443G66.8Low86.4Confident17 Ų1749.2 Ų49.218%0.17524%0.243CC..SBendtrans-148.2-52.8-17600000113.8E464G443-E464 PolarHBondContact N-OE1 2.87Å
444Y80.5Confident86Confident186 Ų18647.3 Ų47.373%0.72923%0.233SC*.SBendtrans-116-31.6-168.1-61.2-80000112.6E464Y444-E464 PolarHBondContact N-OE1 2.85Å
445Y86.2Confident85.6Confident122 Ų12248.9 Ų48.948%0.47824%0.239SC..SBendtrans-102.1153.8-175.8-57.2-75000112.3I447 E464 V488Y445-I447 PolarHBondContact O-N 3.12Å; Y445-E464 HydrophobicContact CD2-CG 3.96Å; Y445-E464 PolarHBondContact N-OE1 2.93Å; Y445-E464 VanDerWaalsContact N-OE1 3.09Å; Y445-V488 HydrophobicContact CD2-CG1 4.25Å; Y445-V488 HydrophobicContact CD2-CG2 4.1Å; Y445-V488 HydrophobicContact CE2-CG2 4.06Å
446T86.4Confident85.5Confident52 Ų5246.9 Ų46.932%0.31923%0.233SC..  trans-75.4112.9171.9-60.10000108.8F448T446-F448 HydrophobicContact CG2-CD1 4.43Å; T446-F448 HydrophobicContact CG2-CE1 3.97Å; T446-F448 HydrophobicContact CG2-CE2 4.07Å; T446-F448 HydrophobicContact CG2-CZ 3.78Å
447I92.1Very high85.4Confident1 Ų142.9 Ų42.91%0.00522%0.218CC..  trans-103118175.6-58.5177000109.5S417 Q442 Y445 S449 S461 E464 N490S417-I447 WeakPolarHBondContact CB-O 3.23Å; S417-I447 PolarHBondContact OG-O 3.17Å; Q442-I447 HydrophobicContact CB-CD1 3.98Å; Q442-I447 HydrophobicContact CG-CD1 3.82Å; Y445-I447 PolarHBondContact O-N 3.12Å; I447-S449 PolarHBondContact O-N 2.91Å; I447-S461 VanDerWaalsContact CG2-OG 3.28Å; I447-S461 WeakPolarHBondContact CG2-OG 3.45Å; I447-E464 HydrophobicContact CD1-CG 4.26Å; I447-N490 CarbonylContact C-O 3.56Å; I447-N490 WeakPolarHBondContact CA-O 3.21Å
448F95.7Very high85.4Confident25 Ų2542.9 Ų42.911%0.1122%0.218CC..BIsolated β-bridgetrans-84.5100179.4-58.7-85.2000110.6F233 Y279 Y404 T446 N490 A491 A492F233-F448 HydrophobicContact CD2-CB 3.84Å; F233-F448 AromaticContact CD2-CD1 3.71Å; F233-F448 HydrophobicContact CD2-CD1 3.71Å; F233-F448 AromaticContact CD2-CD2 3.54Å; F233-F448 HydrophobicContact CD2-CD2 3.54Å; F233-F448 HydrophobicContact CD2-CE1 4.09Å; F233-F448 AromaticContact CD2-CE2 3.92Å; F233-F448 HydrophobicContact CD2-CE2 3.92Å; F233-F448 AromaticContact CD2-CG 3.41Å; F233-F448 HydrophobicContact CD2-CG 3.41Å; F233-F448 VanDerWaalsContact CD2-CG 3.41Å; F233-F448 HydrophobicContact CD2-CZ 4.18Å; F233-F448 HydrophobicContact CE2-CB 3.66Å; F233-F448 AromaticContact CE2-CD1 3.52Å; F233-F448 HydrophobicContact CE2-CD1 3.52Å; F233-F448 HydrophobicContact CE2-CD2 4.14Å; F233-F448 HydrophobicContact CE2-CE1 4.16Å; F233-F448 AromaticContact CE2-CG 3.52Å; F233-F448 HydrophobicContact CE2-CG 3.52Å; Y279-F448 HydrophobicContact CD2-CD1 4.09Å; Y279-F448 AromaticContact CD2-CE1 3.42Å; Y279-F448 HydrophobicContact CD2-CE1 3.42Å; Y279-F448 VanDerWaalsContact CD2-CE1 3.42Å; Y279-F448 AromaticContact CD2-CZ 3.95Å; Y279-F448 HydrophobicContact CD2-CZ 3.95Å; Y279-F448 AromaticContact CE2-CD1 3.88Å; Y279-F448 HydrophobicContact CE2-CD1 3.88Å; Y279-F448 AromaticContact CE2-CE1 3.61Å; Y279-F448 HydrophobicContact CE2-CE1 3.61Å; Y404-F448 HydrophobicContact CD1-CD1 4.38Å; Y404-F448 AromaticContact CD2-CD1 3.46Å; Y404-F448 HydrophobicContact CD2-CD1 3.46Å; Y404-F448 VanDerWaalsContact CD2-CD1 3.46Å; Y404-F448 AromaticContact CD2-CE1 3.8Å; Y404-F448 HydrophobicContact CD2-CE1 3.8Å; Y404-F448 HydrophobicContact CE1-CD1 4.45Å; Y404-F448 AromaticContact CE2-CD1 3.59Å; Y404-F448 HydrophobicContact CE2-CD1 3.59Å; Y404-F448 HydrophobicContact CE2-CE1 4.09Å; Y404-F448 AromaticContact CG-CD1 3.9Å; Y404-F448 HydrophobicContact CG-CD1 3.9Å; Y404-F448 HydrophobicContact CG-CE1 4.5Å; T446-F448 HydrophobicContact CG2-CD1 4.43Å; T446-F448 HydrophobicContact CG2-CE1 3.97Å; T446-F448 HydrophobicContact CG2-CE2 4.07Å; T446-F448 HydrophobicContact CG2-CZ 3.78Å; F448-N490 WeakPolarHBondContact CD2-O 3.48Å; F448-N490 PolarHBondContact N-O 2.88Å; F448-A491 HydrophobicContact CB-CB 3.73Å; F448-A491 HydrophobicContact CD2-CB 4.15Å; F448-A491 HydrophobicContact CG-CB 4.36Å; F448-A491 WeakPolarHBondContact O-CA 3.28Å; F448-A492 PolarHBondContact O-N 3.27Å
449S95.9Very high85.9Confident2 Ų234 Ų341%0.01418%0.184CC..  trans-86.7157.2175.162.50000112.4Y404 C406 L415 S417 I447 A460Y404-S449 VanDerWaalsContact CE1-O 3.31Å; Y404-S449 WeakPolarHBondContact CE1-O 3.13Å; C406-S449 PolarHBondContact SG-O 2.59Å; L415-S449 WeakPolarHBondContact CD2-OG 3.45Å; S417-S449 PolarHBondContact OG-OG 2.9Å; I447-S449 PolarHBondContact O-N 2.91Å; S449-A460 CarbonylContact C-O 3.57Å; S449-A460 VanDerWaalsContact CA-O 3.26Å; S449-A460 WeakPolarHBondContact CA-O 3.2Å; S449-A460 WeakPolarHBondContact CB-O 3.43Å
450C96.7Very high87Confident17 Ų1732.3 Ų32.312%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-136.9154.9175.877.80000113L459 A460 A492 W494C450-L459 WeakPolarHBondContact O-CA 3.4Å; C450-A460 PolarHBondContact N-O 3.1Å; C450-A460 PolarHBondContact O-N 3.21Å; C450-A492 WeakPolarHBondContact CB-O 3.46Å; C450-A492 PolarHBondContact SG-O 2.82Å; C450-A492 VanDerWaalsContact SG-O 3.38Å; C450-W494 PolarHBondContact SG-N 3.26Å
451F97.4Very high88.6Confident15 Ų1531.8 Ų31.87%0.06616%0.162CC..EExtended strand (participates in β ladder)trans-71.8153.7156.1-67.5-84.6000109.9D408 L415 L425 E456 Y458 L459D408-F451 HydrophobicContact CB-CD1 4.37Å; D408-F451 HydrophobicContact CB-CD2 4.18Å; D408-F451 HydrophobicContact CB-CE1 4.2Å; D408-F451 HydrophobicContact CB-CE2 3.99Å; D408-F451 HydrophobicContact CB-CG 4.36Å; D408-F451 HydrophobicContact CB-CZ 3.99Å; L415-F451 HydrophobicContact CB-CD2 4.32Å; L415-F451 HydrophobicContact CB-CE1 4.35Å; L415-F451 HydrophobicContact CB-CE2 3.51Å; L415-F451 HydrophobicContact CB-CZ 3.53Å; L425-F451 HydrophobicContact CD1-CE1 3.92Å; L425-F451 HydrophobicContact CD1-CZ 3.81Å; F451-E456 HydrophobicContact CB-CB 4.02Å; F451-E456 HydrophobicContact CB-CG 3.95Å; F451-E456 HydrophobicContact CD1-CB 4.46Å; F451-Y458 CarbonylContact C-O 3.58Å; F451-L459 HydrophobicContact CD1-CD2 3.27Å; F451-L459 HydrophobicContact CE1-CD2 3.49Å; F451-L459 VanDerWaalsContact CE1-CD2 3.49Å; F451-L459 HydrophobicContact CG-CD2 4.11Å; F451-L459 HydrophobicContact CZ-CD2 4.46Å
452G94.7Very high90.1Very high5 Ų530.4 Ų30.45%0.05215%0.148CC..EExtended strand (participates in β ladder)trans-167.3176.8-174.600000115.8E456 R457 Y458 W494G452-E456 CarbonylContact O-C 3.51Å; G452-E456 VanDerWaalsContact O-CA 3.29Å; G452-E456 WeakPolarHBondContact O-CA 3.17Å; G452-R457 PolarHBondContact O-N 3.32Å; G452-Y458 PolarHBondContact N-O 3.39Å; G452-Y458 PolarHBondContact O-N 2.81Å; G452-W494 VanDerWaalsContact CA-CB 3.5Å; G452-W494 VanDerWaalsContact CA-CG 3.5Å
453G92.3Very high91.4Very high14 Ų1429.9 Ų29.914%0.14415%0.145CC..SBendtrans64.7-172.1-172.700000113.6N190 N455 E456 W494N190-G453 WeakPolarHBondContact OD1-CA 3.09Å; G453-N455 PolarHBondContact O-N 3.07Å; G453-E456 PolarHBondContact O-N 2.79Å; G453-W494 VanDerWaalsContact N-CE2 3.26Å
454A88.4Confident92.7Very high4 Ų431.3 Ų31.33%0.03315%0.147CC..G310 helixtrans-64.8128-177.500000111.1N190 I191 E456 R457 P499N190-A454 VanDerWaalsContact C-CB 3.49Å; N190-A454 PolarHBondContact OD1-N 2.96Å; I191-A454 VanDerWaalsContact O-CB 3.3Å; I191-A454 WeakPolarHBondContact O-CB 3.38Å; A454-E456 PolarHBondContact O-N 3.22Å; A454-R457 WeakPolarHBondContact O-CG 3.35Å; A454-R457 PolarHBondContact O-N 2.93Å; A454-P499 HydrophobicContact CB-CB 4.31Å; A454-P499 HydrophobicContact CB-CG 4.14Å
455N88Confident93.2Very high96 Ų9628.4 Ų28.451%0.51314%0.14SC..G310 helixtrans55.628-177.5-55.6-34.2000114.2G193 G453 R457G193-N455 PolarHBondContact O-ND2 3.39Å; G193-N455 VanDerWaalsContact O-ND2 3.15Å; G453-N455 PolarHBondContact O-N 3.07Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 HydrophobicContact CB-CG 4.46Å; N455-R457 PolarHBondContact O-N 2.9Å
456E93.7Very high93.6Very high26 Ų2622.7 Ų22.712%0.12112%0.118CC..G310 helixtrans56.339.2177.3-64.6-176.3153.500113.9D408 K409 F451 G452 G453 A454 Y458D408-E456 WeakPolarHBondContact CA-OE2 3.25Å; D408-E456 WeakPolarHBondContact CB-OE2 3.32Å; K409-E456 WeakPolarHBondContact CB-OE2 3.48Å; K409-E456 HydrophobicContact CD-CG 4.3Å; K409-E456 WeakPolarHBondContact CD-OE1 3.35Å; K409-E456 WeakPolarHBondContact CE-OE1 3.46Å; K409-E456 VanDerWaalsContact CG-OE1 3.25Å; K409-E456 WeakPolarHBondContact CG-OE1 3.26Å; K409-E456 PolarHBondContact N-OE2 2.86Å; F451-E456 HydrophobicContact CB-CB 4.02Å; F451-E456 HydrophobicContact CB-CG 3.95Å; F451-E456 HydrophobicContact CD1-CB 4.46Å; G452-E456 CarbonylContact O-C 3.51Å; G452-E456 VanDerWaalsContact O-CA 3.29Å; G452-E456 WeakPolarHBondContact O-CA 3.17Å; G453-E456 PolarHBondContact O-N 2.79Å; A454-E456 PolarHBondContact O-N 3.22Å; E456-Y458 VanDerWaalsContact C-N 3.3Å
457R92Very high94.1Very high45 Ų4521.3 Ų21.317%0.1711%0.109CC..  trans-79.9-12.9178.9-72.8-178173.1-162.20.7113.8W183 H189 G452 A454 N455 R473W183-R457 PolarHBondContact O-NH1 3.01Å; H189-R457 PolarHBondContact CD2-NH1 3.08Å; G452-R457 PolarHBondContact O-N 3.32Å; A454-R457 WeakPolarHBondContact O-CG 3.35Å; A454-R457 PolarHBondContact O-N 2.93Å; N455-R457 VanDerWaalsContact C-N 3.27Å; N455-R457 HydrophobicContact CB-CG 4.46Å; N455-R457 PolarHBondContact O-N 2.9Å; R457-R473 VanDerWaalsContact O-CB 3.23Å; R457-R473 WeakPolarHBondContact O-CB 3.4Å; R457-R473 PolarHBondContact O-N 3.07Å
458Y95.2Very high94.3Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-121.4157.5-177.8-56.3-83.3000110.5L187 Y188 H189 N190 F216 F451 G452 E456 W471 Q472 I479 W494L187-Y458 VanDerWaalsContact O-CE1 3.23Å; L187-Y458 WeakPolarHBondContact O-CE1 3.09Å; L187-Y458 PolarHBondContact O-OH 3.04Å; L187-Y458 VanDerWaalsContact O-OH 3.07Å; Y188-Y458 VanDerWaalsContact C-OH 3.3Å; Y188-Y458 WeakPolarHBondContact CA-OH 3.44Å; H189-Y458 VanDerWaalsContact C-OH 3.27Å; H189-Y458 PolarHBondContact N-OH 3.25Å; H189-Y458 PolarHBondContact O-OH 3.43Å; N190-Y458 HydrophobicContact CB-CE2 4.15Å; F216-Y458 AromaticContact CE2-CD1 3.87Å; F216-Y458 HydrophobicContact CE2-CD1 3.87Å; F216-Y458 HydrophobicContact CE2-CD2 4.14Å; F216-Y458 AromaticContact CE2-CE1 3.58Å; F216-Y458 HydrophobicContact CE2-CE1 3.58Å; F216-Y458 AromaticContact CE2-CE2 3.87Å; F216-Y458 HydrophobicContact CE2-CE2 3.87Å; F216-Y458 HydrophobicContact CE2-CG 4.14Å; F216-Y458 AromaticContact CE2-CZ 3.58Å; F216-Y458 AromaticContact CZ-CD1 3.65Å; F216-Y458 HydrophobicContact CZ-CD1 3.65Å; F216-Y458 HydrophobicContact CZ-CD2 4.45Å; F216-Y458 AromaticContact CZ-CE1 3.76Å; F216-Y458 HydrophobicContact CZ-CE1 3.76Å; F216-Y458 HydrophobicContact CZ-CG 4.01Å; F451-Y458 CarbonylContact C-O 3.58Å; G452-Y458 PolarHBondContact N-O 3.39Å; G452-Y458 PolarHBondContact O-N 2.81Å; E456-Y458 VanDerWaalsContact C-N 3.3Å; Y458-W471 CarbonylContact C-O 3.55Å; Y458-W471 WeakPolarHBondContact CA-O 3.47Å; Y458-W471 WeakPolarHBondContact CB-O 3.25Å; Y458-Q472 HydrophobicContact CD1-CB 4.39Å; Y458-Q472 HydrophobicContact CE1-CB 4.34Å; Y458-Q472 HydrophobicContact CE1-CG 4.25Å; Y458-I479 HydrophobicContact CD1-CD1 3.76Å; Y458-I479 HydrophobicContact CE1-CD1 3.76Å; Y458-W494 HydrophobicContact CG-CH2 4.35Å
459L96.5Very high94.3Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-122.9140.2174.9-49176.8000107.1L415 Y437 C450 F451 V470 W471L415-L459 HydrophobicContact CD1-CD1 3.76Å; L415-L459 HydrophobicContact CD1-CD2 4.32Å; L415-L459 HydrophobicContact CD2-CB 4.39Å; L415-L459 HydrophobicContact CD2-CD2 4.04Å; Y437-L459 HydrophobicContact CD1-CD1 4.07Å; Y437-L459 HydrophobicContact CD2-CD1 3.73Å; Y437-L459 HydrophobicContact CE1-CD1 3.68Å; Y437-L459 HydrophobicContact CE2-CD1 3.31Å; Y437-L459 HydrophobicContact CG-CD1 4.09Å; C450-L459 WeakPolarHBondContact O-CA 3.4Å; F451-L459 HydrophobicContact CD1-CD2 3.27Å; F451-L459 HydrophobicContact CE1-CD2 3.49Å; F451-L459 VanDerWaalsContact CE1-CD2 3.49Å; F451-L459 HydrophobicContact CG-CD2 4.11Å; F451-L459 HydrophobicContact CZ-CD2 4.46Å; L459-V470 CarbonylContact O-C 3.57Å; L459-V470 VanDerWaalsContact O-CA 3.29Å; L459-V470 WeakPolarHBondContact O-CA 3.44Å; L459-W471 HydrophobicContact CB-CB 4.36Å; L459-W471 HydrophobicContact CB-CE3 4.36Å; L459-W471 PolarHBondContact N-O 3.16Å; L459-W471 PolarHBondContact O-N 2.96Å
460A96.6Very high94.3Very high0 Ų021.2 Ų21.20%011%0.108CC..EExtended strand (participates in β ladder)trans-127.1142.9173.600000110.4S449 C450 Y469 V470 A492 W494 L502S449-A460 CarbonylContact C-O 3.57Å; S449-A460 VanDerWaalsContact CA-O 3.26Å; S449-A460 WeakPolarHBondContact CA-O 3.2Å; S449-A460 WeakPolarHBondContact CB-O 3.43Å; C450-A460 PolarHBondContact N-O 3.1Å; C450-A460 PolarHBondContact O-N 3.21Å; A460-Y469 WeakPolarHBondContact CA-O 3.41Å; A460-V470 HydrophobicContact CB-CG2 4.44Å; A460-A492 HydrophobicContact CB-CB 3.97Å; A460-W494 HydrophobicContact CB-CE3 4Å; A460-W494 HydrophobicContact CB-CZ3 4.21Å; A460-L502 HydrophobicContact CB-CD1 3.74Å; A460-L502 HydrophobicContact CB-CD2 4.31Å
461S95.8Very high94.2Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-148.9146.7175.5-178.40000110.3Q442 I447 V468 Y469Q442-S461 PolarHBondContact NE2-OG 2.96Å; I447-S461 VanDerWaalsContact CG2-OG 3.28Å; I447-S461 WeakPolarHBondContact CG2-OG 3.45Å; S461-V468 CarbonylContact O-C 3.56Å; S461-V468 WeakPolarHBondContact O-CA 3.13Å; S461-Y469 PolarHBondContact N-O 3.32Å; S461-Y469 PolarHBondContact O-N 2.87Å
462G94.7Very high94Very high0 Ų020.4 Ų20.40%010%0.103CC..  trans-71.4-178.8163.400000112.7N467 V489G462-N467 CarbonylContact C-O 3.55Å; G462-V489 WeakPolarHBondContact CA-O 3.48Å
463S94.4Very high93.9Very high0 Ų021.9 Ų21.90%011%0.107CC..  trans-149.7150.2179.8177.60000109.5G441 E465 G466 N467 V489G441-S463 PolarHBondContact N-OG 3.27Å; S463-E465 PolarHBondContact O-N 3.18Å; S463-E465 WeakPolarHBondContact OG-CB 3.42Å; S463-E465 PolarHBondContact OG-N 3.28Å; S463-E465 VanDerWaalsContact OG-N 3.11Å; S463-G466 PolarHBondContact O-N 3.19Å; S463-N467 WeakPolarHBondContact CB-O 3.28Å; S463-N467 PolarHBondContact N-O 3.04Å; S463-N467 VanDerWaalsContact N-O 3.1Å; S463-V489 PolarHBondContact O-N 2.93Å
464E93.2Very high93.8Very high48 Ų4825.2 Ų25.222%0.22412%0.119CC..THydrogen-bonded Turntrans-65.2-16.6169.9-61.8-179.1-175.500112.6G441 G443 Y444 Y445 I447 G466 V488G441-E464 WeakPolarHBondContact O-CB 3.12Å; G441-E464 VanDerWaalsContact O-CG 3.32Å; G441-E464 WeakPolarHBondContact O-CG 3.35Å; G441-E464 PolarHBondContact O-N 2.9Å; G443-E464 PolarHBondContact N-OE1 2.87Å; Y444-E464 PolarHBondContact N-OE1 2.85Å; Y445-E464 HydrophobicContact CD2-CG 3.96Å; Y445-E464 PolarHBondContact N-OE1 2.93Å; Y445-E464 VanDerWaalsContact N-OE1 3.09Å; I447-E464 HydrophobicContact CD1-CG 4.26Å; E464-G466 VanDerWaalsContact C-N 3.28Å; E464-G466 PolarHBondContact O-N 2.89Å; E464-V488 HydrophobicContact CB-CG2 4.33Å; E464-V488 HydrophobicContact CG-CG1 4.18Å
465E92.2Very high94Very high124 Ų12426.5 Ų26.558%0.57913%0.127SC*.THydrogen-bonded Turntrans-83.12.1177.1-57.2179.6163.200114.1S463 Y469S463-E465 PolarHBondContact O-N 3.18Å; S463-E465 WeakPolarHBondContact OG-CB 3.42Å; S463-E465 PolarHBondContact OG-N 3.28Å; S463-E465 VanDerWaalsContact OG-N 3.11Å; E465-Y469 PolarHBondContact OE2-OH 3.03Å; E465-Y469 VanDerWaalsContact OE2-OH 3.04Å
466G94.2Very high94.2Very high2 Ų225.8 Ų25.82%0.02112%0.121CC..SBendtrans79.620.1-178.900000115.5S463 E464 H485 G487S463-G466 PolarHBondContact O-N 3.19Å; E464-G466 VanDerWaalsContact C-N 3.28Å; E464-G466 PolarHBondContact O-N 2.89Å; G466-H485 WeakPolarHBondContact O-CB 3.47Å; G466-G487 WeakPolarHBondContact CA-O 3.4Å
467N95.6Very high94.1Very high24 Ų2431.6 Ų31.613%0.12815%0.148CC..EExtended strand (participates in β ladder)trans-116150178.6-58.1-49.9000111.4G462 S463 Y469 V481 L482 K483G462-N467 CarbonylContact C-O 3.55Å; S463-N467 WeakPolarHBondContact CB-O 3.28Å; S463-N467 PolarHBondContact N-O 3.04Å; S463-N467 VanDerWaalsContact N-O 3.1Å; N467-Y469 HydrophobicContact CB-CD2 4.34Å; N467-Y469 HydrophobicContact CB-CE2 3.75Å; N467-V481 HydrophobicContact CB-CG1 3.78Å; N467-L482 WeakPolarHBondContact CA-O 3.38Å; N467-K483 WeakPolarHBondContact OD1-CG 3.25Å
468V96.4Very high94.2Very high0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-99127165.8-178.10000108.2S461 V481 L482 V489 A492 L502 S504 W514S461-V468 CarbonylContact O-C 3.56Å; S461-V468 WeakPolarHBondContact O-CA 3.13Å; V468-V481 CarbonylContact O-C 3.46Å; V468-L482 HydrophobicContact CB-CB 4.1Å; V468-L482 HydrophobicContact CB-CD1 4.22Å; V468-L482 HydrophobicContact CB-CG 4.41Å; V468-L482 HydrophobicContact CG1-CD1 4.23Å; V468-L482 PolarHBondContact N-O 3.27Å; V468-L482 PolarHBondContact O-N 2.79Å; V468-V489 HydrophobicContact CG2-CG1 3.96Å; V468-A492 HydrophobicContact CG1-CB 4.16Å; V468-L502 HydrophobicContact CG1-CD2 4Å; V468-S504 VanDerWaalsContact CG2-CB 3.47Å; V468-S504 WeakPolarHBondContact CG2-OG 3.22Å; V468-W514 HydrophobicContact CG2-CZ2 4.03Å
469Y95.9Very high94Very high25 Ų2532.5 Ų32.510%0.09816%0.16CC..EExtended strand (participates in β ladder)trans-101.7138.9176.2-71-100.8000109.5G440 A460 S461 E465 N467 W471 A478 V481G440-Y469 VanDerWaalsContact CA-CE2 3.45Å; A460-Y469 WeakPolarHBondContact CA-O 3.41Å; S461-Y469 PolarHBondContact N-O 3.32Å; S461-Y469 PolarHBondContact O-N 2.87Å; E465-Y469 PolarHBondContact OE2-OH 3.03Å; E465-Y469 VanDerWaalsContact OE2-OH 3.04Å; N467-Y469 HydrophobicContact CB-CD2 4.34Å; N467-Y469 HydrophobicContact CB-CE2 3.75Å; Y469-W471 VanDerWaalsContact CB-CZ3 3.4Å; Y469-W471 HydrophobicContact CD1-CZ2 4.3Å; Y469-W471 AromaticContact CG-CH2 3.97Å; Y469-W471 HydrophobicContact CG-CH2 3.97Å; Y469-W471 HydrophobicContact CG-CZ2 4.11Å; Y469-W471 VanDerWaalsContact O-CZ3 3.26Å; Y469-W471 WeakPolarHBondContact O-CZ3 3.42Å; Y469-A478 HydrophobicContact CD1-CB 3.81Å; Y469-V481 HydrophobicContact CD1-CG2 3.81Å; Y469-V481 HydrophobicContact CE1-CB 4.48Å; Y469-V481 HydrophobicContact CE1-CG1 4.09Å; Y469-V481 HydrophobicContact CE1-CG2 3.63Å; Y469-V481 HydrophobicContact CE2-CG1 4.48Å
470V95.6Very high93.8Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-122.9132.7173.2-177.60000108.9F216 L459 A460 A478 I479 L480 L482 W494 L502F216-V470 HydrophobicContact CE1-CG1 3.87Å; F216-V470 HydrophobicContact CZ-CG1 3.87Å; L459-V470 CarbonylContact O-C 3.57Å; L459-V470 VanDerWaalsContact O-CA 3.29Å; L459-V470 WeakPolarHBondContact O-CA 3.44Å; A460-V470 HydrophobicContact CB-CG2 4.44Å; V470-A478 CarbonylContact O-C 3.5Å; V470-A478 WeakPolarHBondContact O-CA 3.47Å; V470-I479 HydrophobicContact CB-CG1 4.44Å; V470-I479 HydrophobicContact CG1-CD1 4.22Å; V470-I479 HydrophobicContact CG1-CG1 4.2Å; V470-I479 WeakPolarHBondContact O-CG1 3.25Å; V470-I479 PolarHBondContact O-N 2.63Å; V470-L480 HydrophobicContact CB-CB 4.23Å; V470-L480 PolarHBondContact N-O 2.91Å; V470-L480 PolarHBondContact O-N 2.81Å; V470-L482 HydrophobicContact CG2-CD1 4.37Å; V470-W494 HydrophobicContact CG1-CH2 3.99Å; V470-W494 HydrophobicContact CG1-CZ3 3.78Å; V470-W494 HydrophobicContact CG2-CZ3 4.36Å; V470-L502 HydrophobicContact CG2-CD2 4.17Å
471W95.3Very high93.8Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-118148.4175.1-60.3-102.5000109.8L423 Y437 R438 Y458 L459 Y469 A478L423-W471 HydrophobicContact CD1-CE3 3.98Å; L423-W471 HydrophobicContact CD1-CH2 3.94Å; L423-W471 HydrophobicContact CD1-CZ3 3.6Å; L423-W471 HydrophobicContact CG-CH2 4.48Å; Y437-W471 HydrophobicContact CD1-CB 3.88Å; Y437-W471 AromaticContact CD1-CD1 3.8Å; Y437-W471 AromaticContact CD1-CG 3.91Å; Y437-W471 HydrophobicContact CD1-CG 3.91Å; Y437-W471 HydrophobicContact CE1-CB 4.37Å; Y437-W471 HydrophobicContact CG-CG 4.32Å; R438-W471 PolarHBondContact O-NE1 2.84Å; Y458-W471 CarbonylContact C-O 3.55Å; Y458-W471 WeakPolarHBondContact CA-O 3.47Å; Y458-W471 WeakPolarHBondContact CB-O 3.25Å; L459-W471 HydrophobicContact CB-CB 4.36Å; L459-W471 HydrophobicContact CB-CE3 4.36Å; L459-W471 PolarHBondContact N-O 3.16Å; L459-W471 PolarHBondContact O-N 2.96Å; Y469-W471 VanDerWaalsContact CB-CZ3 3.4Å; Y469-W471 HydrophobicContact CD1-CZ2 4.3Å; Y469-W471 AromaticContact CG-CH2 3.97Å; Y469-W471 HydrophobicContact CG-CH2 3.97Å; Y469-W471 HydrophobicContact CG-CZ2 4.11Å; Y469-W471 VanDerWaalsContact O-CZ3 3.26Å; Y469-W471 WeakPolarHBondContact O-CZ3 3.42Å; W471-A478 VanDerWaalsContact CD1-N 3.29Å; W471-A478 HydrophobicContact CD2-CB 4.48Å
472Q93.5Very high93.8Very high15 Ų1536.8 Ų36.87%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-77.5139.4156.8-168.8-168.529.300108.1K184 C186 Y458 E474 S475 I479K184-Q472 PolarHBondContact O-NE2 3.07Å; C186-Q472 PolarHBondContact O-NE2 3.33Å; Y458-Q472 HydrophobicContact CD1-CB 4.39Å; Y458-Q472 HydrophobicContact CE1-CB 4.34Å; Y458-Q472 HydrophobicContact CE1-CG 4.25Å; Q472-E474 PolarHBondContact O-N 2.96Å; Q472-S475 PolarHBondContact O-N 3.38Å; Q472-I479 HydrophobicContact CB-CD1 4.48Å; Q472-I479 HydrophobicContact CB-CG2 4.2Å
473R92.9Very high93.8Very high37 Ų3744.2 Ų44.214%0.1422%0.218CC..THydrogen-bonded Turntrans-56.1-28.2-179.7-173.2175.1170.9165.51.1113.7L425 R435 Y437 R457L425-R473 HydrophobicContact CD2-CG 4.11Å; R435-R473 WeakPolarHBondContact CD-O 3.29Å; Y437-R473 PolarHBondContact OH-O 2.86Å; R457-R473 VanDerWaalsContact O-CB 3.23Å; R457-R473 WeakPolarHBondContact O-CB 3.4Å; R457-R473 PolarHBondContact O-N 3.07Å
474E90.7Very high93.8Very high84 Ų8445.3 Ų45.339%0.39323%0.229SC..THydrogen-bonded Turntrans-88.7-12.8177.6-64.5-60.2162.200114.6R435 Q472R435-E474 VanDerWaalsContact CZ-O 3.28Å; R435-E474 IonicContact CZ-OE2 2.75Å; R435-E474 IonicContact NE-OE2 3Å; R435-E474 PolarHBondContact NH2-O 2.95Å; R435-E474 IonicContact NH2-OE2 3.51Å; R435-E474 PolarHBondContact NH2-OE2 3.2Å; Q472-E474 PolarHBondContact O-N 2.96Å
475S91.1Very high93.9Very high30 Ų3043.6 Ų43.621%0.2122%0.221CC..  trans-104.2129.4-1791790000110.7Y437 Q472 E477Y437-S475 WeakPolarHBondContact CD1-O 3.3Å; Y437-S475 WeakPolarHBondContact CE1-O 3.45Å; Q472-S475 PolarHBondContact O-N 3.38Å; S475-E477 VanDerWaalsContact C-N 3.3Å; S475-E477 PolarHBondContact OG-N 2.89Å; S475-E477 PolarHBondContact OG-O 3.48Å
476E92.1Very high94.1Very high81 Ų8144.9 Ų44.938%0.37923%0.232SC..SBendtrans-78.2-18.2176.1-65.8178.6-170.800112.7R435 R436 Y437 R438R435-E476 IonicContact NH1-OE1 2.75Å; R436-E476 WeakPolarHBondContact O-CB 3.26Å; R436-E476 WeakPolarHBondContact O-CG 3.48Å; Y437-E476 WeakPolarHBondContact CA-O 3.37Å; R438-E476 PolarHBondContact N-O 2.8Å
477E92.3Very high94.2Very high148 Ų14845.7 Ų45.769%0.69224%0.24SC*.BIsolated β-bridgetrans-95.4145.4176.4-63.7-175.5172.300110.9S475 I479S475-E477 VanDerWaalsContact C-N 3.3Å; S475-E477 PolarHBondContact OG-N 2.89Å; S475-E477 PolarHBondContact OG-O 3.48Å; E477-I479 PolarHBondContact O-N 3.29Å
478A93.5Very high94.2Very high34 Ų3445.3 Ų45.328%0.28124%0.239SC..EExtended strand (participates in β ladder)trans-64.3128.3176.200000109.9Y469 V470 W471Y469-A478 HydrophobicContact CD1-CB 3.81Å; V470-A478 CarbonylContact O-C 3.5Å; V470-A478 WeakPolarHBondContact O-CA 3.47Å; W471-A478 VanDerWaalsContact CD1-N 3.29Å; W471-A478 HydrophobicContact CD2-CB 4.48Å
479I92.4Very high94.2Very high30 Ų3045.3 Ų45.315%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-80.5-29.7175.658.6167.6000111.1L187 F216 Y458 V470 Q472 E477L187-I479 HydrophobicContact CD2-CG2 4.3Å; F216-I479 HydrophobicContact CE1-CD1 4.21Å; F216-I479 HydrophobicContact CZ-CD1 3.82Å; Y458-I479 HydrophobicContact CD1-CD1 3.76Å; Y458-I479 HydrophobicContact CE1-CD1 3.76Å; V470-I479 HydrophobicContact CB-CG1 4.44Å; V470-I479 HydrophobicContact CG1-CD1 4.22Å; V470-I479 HydrophobicContact CG1-CG1 4.2Å; V470-I479 WeakPolarHBondContact O-CG1 3.25Å; V470-I479 PolarHBondContact O-N 2.63Å; Q472-I479 HydrophobicContact CB-CD1 4.48Å; Q472-I479 HydrophobicContact CB-CG2 4.2Å; E477-I479 PolarHBondContact O-N 3.29Å
480L92.5Very high94.3Very high21 Ų2144.6 Ų44.611%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-140149.2177-62-179.6000112.5F216 Y218 V470 L482F216-L480 HydrophobicContact CD1-CD1 3.27Å; F216-L480 HydrophobicContact CD1-CG 4.5Å; F216-L480 HydrophobicContact CE1-CD1 3.41Å; F216-L480 VanDerWaalsContact CE1-CD1 3.41Å; F216-L480 HydrophobicContact CE1-CG 4.35Å; F216-L480 HydrophobicContact CG-CD1 4.47Å; Y218-L480 HydrophobicContact CD1-CD1 3.89Å; Y218-L480 HydrophobicContact CD1-CD2 3.87Å; Y218-L480 HydrophobicContact CE1-CD1 3.63Å; Y218-L480 HydrophobicContact CE1-CD2 3.16Å; Y218-L480 HydrophobicContact CE1-CG 4.07Å; Y218-L480 HydrophobicContact CE2-CD1 4.41Å; Y218-L480 HydrophobicContact CG-CD1 4.41Å; V470-L480 HydrophobicContact CB-CB 4.23Å; V470-L480 PolarHBondContact N-O 2.91Å; V470-L480 PolarHBondContact O-N 2.81Å; L480-L482 HydrophobicContact CB-CD2 4.25Å; L480-L482 HydrophobicContact CD1-CD2 4.34Å
481V94.7Very high94.3Very high62 Ų6244.6 Ų44.638%0.37624%0.237SC..EExtended strand (participates in β ladder)trans-127.2101.3170.6-174.40000107.3N467 V468 Y469 K483N467-V481 HydrophobicContact CB-CG1 3.78Å; V468-V481 CarbonylContact O-C 3.46Å; Y469-V481 HydrophobicContact CD1-CG2 3.81Å; Y469-V481 HydrophobicContact CE1-CB 4.48Å; Y469-V481 HydrophobicContact CE1-CG1 4.09Å; Y469-V481 HydrophobicContact CE1-CG2 3.63Å; Y469-V481 HydrophobicContact CE2-CG1 4.48Å; V481-K483 HydrophobicContact CG1-CG 4.43Å
482L95.8Very high94.4Very high7 Ų744.8 Ų44.84%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-84.3117.1179.8-44.3176.4000108.6P217 N467 V468 V470 L480 L502 W514P217-L482 WeakPolarHBondContact O-CD2 3.14Å; N467-L482 WeakPolarHBondContact CA-O 3.38Å; V468-L482 HydrophobicContact CB-CB 4.1Å; V468-L482 HydrophobicContact CB-CD1 4.22Å; V468-L482 HydrophobicContact CB-CG 4.41Å; V468-L482 HydrophobicContact CG1-CD1 4.23Å; V468-L482 PolarHBondContact N-O 3.27Å; V468-L482 PolarHBondContact O-N 2.79Å; V470-L482 HydrophobicContact CG2-CD1 4.37Å; L480-L482 HydrophobicContact CB-CD2 4.25Å; L480-L482 HydrophobicContact CD1-CD2 4.34Å; L482-L502 HydrophobicContact CD1-CD2 3.83Å; L482-W514 HydrophobicContact CB-CD2 4.16Å; L482-W514 HydrophobicContact CB-CE3 3.75Å; L482-W514 HydrophobicContact CB-CH2 3.78Å; L482-W514 HydrophobicContact CB-CZ2 4.18Å; L482-W514 HydrophobicContact CB-CZ3 3.54Å; L482-W514 HydrophobicContact CD1-CB 4.14Å; L482-W514 HydrophobicContact CD1-CD2 3.67Å; L482-W514 HydrophobicContact CD1-CE3 3.86Å; L482-W514 HydrophobicContact CD1-CG 3.79Å; L482-W514 HydrophobicContact CG-CE3 4.28Å
483K95.8Very high94.6Very high156 Ų15644.8 Ų44.868%0.67824%0.24SC*.EExtended strand (participates in β ladder)trans-102.8143.9-176.3-55.7-167.9176.2-178.20110.6N467 V481N467-K483 WeakPolarHBondContact OD1-CG 3.25Å; V481-K483 HydrophobicContact CG1-CG 4.43Å
484G93.7Very high94.8Very high23 Ų2343.5 Ų43.524%0.23724%0.235CC..  trans154.7-21.216700000115.5R512G484-R512 PolarHBondContact O-NH2 2.86Å
485H97Very high95.1Very high12 Ų1239.8 Ų39.86%0.05622%0.218CC..  trans-67.6147.9170.3-79.2-66.4000110.5G466 V489 S504 S506 D508 T510 R512G466-H485 WeakPolarHBondContact O-CB 3.47Å; H485-V489 HydrophobicContact CB-CG2 3.77Å; H485-S504 PolarHBondContact CD2-OG 2.65Å; H485-S504 PolarHBondContact NE2-OG 3.01Å; H485-S506 WeakPolarHBondContact ND1-CB 3.4Å; H485-D508 VanDerWaalsContact CA-OD2 3.22Å; H485-D508 WeakPolarHBondContact CA-OD2 3.36Å; H485-D508 WeakPolarHBondContact CB-OD2 3.1Å; H485-D508 IonicContact CE1-OD1 3.51Å; H485-D508 IonicContact CG-OD2 2.84Å; H485-D508 IonicContact ND1-OD1 3.62Å; H485-D508 PolarHBondContact ND1-OD1 3.28Å; H485-D508 IonicContact ND1-OD2 3.54Å; H485-D508 PolarHBondContact ND1-OD2 3.04Å; H485-T510 PolarHBondContact CE1-OG1 3.15Å; H485-T510 PolarHBondContact ND1-OG1 3.34Å; H485-R512 VanDerWaalsContact CE1-CG 3.48Å; H485-R512 WeakPolarHBondContact CE1-CG 3.33Å
486N96.2Very high95.3Very high151 Ų15140.9 Ų40.981%0.80722%0.224SC*.SBendtrans-107.311.2-178.3-64.8-44.5000112.7D508N486-D508 HydrophobicContact CB-CB 4.16Å; N486-D508 PolarHBondContact N-OD2 2.79Å
487G95.3Very high95.4Very high20 Ų2040.2 Ų40.221%0.20623%0.233CC..SBendtrans-152-179.1-179.400000110.4G466 V489 S506G466-G487 WeakPolarHBondContact CA-O 3.4Å; G487-V489 PolarHBondContact O-N 3.19Å; G487-S506 PolarHBondContact O-OG 3.49Å
488V95.9Very high95.4Very high16 Ų1634.5 Ų34.510%0.09721%0.207CC..  trans-58.3130.1178.8176.50000109.6Y445 E464 N490 S506 D507Y445-V488 HydrophobicContact CD2-CG1 4.25Å; Y445-V488 HydrophobicContact CD2-CG2 4.1Å; Y445-V488 HydrophobicContact CE2-CG2 4.06Å; E464-V488 HydrophobicContact CB-CG2 4.33Å; E464-V488 HydrophobicContact CG-CG1 4.18Å; V488-N490 PolarHBondContact O-N 2.83Å; V488-S506 CarbonylContact O-C 3.52Å; V488-S506 WeakPolarHBondContact O-CA 3.39Å; V488-S506 WeakPolarHBondContact O-CB 3.32Å; V488-S506 PolarHBondContact O-OG 3.12Å; V488-D507 HydrophobicContact CB-CB 4.48Å; V488-D507 WeakPolarHBondContact CB-OD2 3.23Å; V488-D507 PolarHBondContact O-N 3.29Å
489V97Very high95.4Very high0 Ų034.2 Ų34.20%020%0.202CC..EExtended strand (participates in β ladder)trans-87.3105.1173.3-175.90000108.5G462 S463 V468 H485 G487 C505G462-V489 WeakPolarHBondContact CA-O 3.48Å; S463-V489 PolarHBondContact O-N 2.93Å; V468-V489 HydrophobicContact CG2-CG1 3.96Å; H485-V489 HydrophobicContact CB-CG2 3.77Å; G487-V489 PolarHBondContact O-N 3.19Å; V489-C505 CarbonylContact C-O 3.56Å; V489-C505 WeakPolarHBondContact CA-O 3.49Å; V489-C505 WeakPolarHBondContact CG1-O 3.24Å
490N96.6Very high95.4Very high9 Ų933.1 Ų33.15%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-76.2-36.6-173.7-64.1-53.8000112.9V231 W232 I447 F448 V488 C505 D507V231-N490 PolarHBondContact O-ND2 3.15Å; W232-N490 WeakPolarHBondContact O-CB 3.47Å; I447-N490 CarbonylContact C-O 3.56Å; I447-N490 WeakPolarHBondContact CA-O 3.21Å; F448-N490 WeakPolarHBondContact CD2-O 3.48Å; F448-N490 PolarHBondContact N-O 2.88Å; V488-N490 PolarHBondContact O-N 2.83Å; N490-C505 PolarHBondContact N-O 3.23Å; N490-D507 PolarHBondContact ND2-OD1 2.85Å
491A97.1Very high95.6Very high1 Ų132.2 Ų32.21%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-140.6148.718000000112.4F233 F448 S504 C505F233-A491 HydrophobicContact CD2-CB 4.03Å; F448-A491 HydrophobicContact CB-CB 3.73Å; F448-A491 HydrophobicContact CD2-CB 4.15Å; F448-A491 HydrophobicContact CG-CB 4.36Å; F448-A491 WeakPolarHBondContact O-CA 3.28Å; A491-S504 WeakPolarHBondContact O-CA 3.11Å; A491-S504 WeakPolarHBondContact O-CB 3.38Å; A491-C505 VanDerWaalsContact CB-SG 3.56Å; A491-C505 PolarHBondContact O-N 3.48Å; A491-C505 VanDerWaalsContact O-N 3.08Å
492A97.1Very high95.7Very high4 Ų429.2 Ų29.23%0.03317%0.174CC..EExtended strand (participates in β ladder)trans-125.4134.7163.100000108.7F448 C450 A460 V468 A503F448-A492 PolarHBondContact O-N 3.27Å; C450-A492 WeakPolarHBondContact CB-O 3.46Å; C450-A492 PolarHBondContact SG-O 2.82Å; C450-A492 VanDerWaalsContact SG-O 3.38Å; A460-A492 HydrophobicContact CB-CB 3.97Å; V468-A492 HydrophobicContact CG1-CB 4.16Å; A492-A503 CarbonylContact C-O 3.58Å; A492-A503 WeakPolarHBondContact CA-O 3.24Å
493C97.6Very high95.8Very high14 Ų1428.9 Ų28.910%0.09517%0.172CC..EExtended strand (participates in β ladder)trans-138.5123.8-179.7-174.30000110.9C234 F236 A503C234-C493 WeakPolarHBondContact O-CB 3.23Å; F236-C493 HydrophobicContact CD2-CB 4.38Å; F236-C493 WeakPolarHBondContact CE2-O 3.33Å; F236-C493 PolarHBondContact N-SG 3.21Å; F236-C493 VanDerWaalsContact N-SG 3.4Å; C493-A503 PolarHBondContact N-O 3.29Å; C493-A503 PolarHBondContact O-N 3Å
494W97.4Very high96Very high11 Ų1121.5 Ų21.54%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-86.7139.7177.4-143.9-62.3000110.8F216 P217 C450 G452 G453 Y458 A460 V470 P496 P499 M501 L502F216-W494 HydrophobicContact CE1-CH2 4.07Å; F216-W494 HydrophobicContact CE2-CH2 4.32Å; F216-W494 AromaticContact CZ-CH2 3.73Å; F216-W494 HydrophobicContact CZ-CH2 3.73Å; F216-W494 HydrophobicContact CZ-CZ2 4.4Å; P217-W494 HydrophobicContact CG-CH2 3.83Å; P217-W494 HydrophobicContact CG-CZ2 3.56Å; C450-W494 PolarHBondContact SG-N 3.26Å; G452-W494 VanDerWaalsContact CA-CB 3.5Å; G452-W494 VanDerWaalsContact CA-CG 3.5Å; G453-W494 VanDerWaalsContact N-CE2 3.26Å; Y458-W494 HydrophobicContact CG-CH2 4.35Å; A460-W494 HydrophobicContact CB-CE3 4Å; A460-W494 HydrophobicContact CB-CZ3 4.21Å; V470-W494 HydrophobicContact CG1-CH2 3.99Å; V470-W494 HydrophobicContact CG1-CZ3 3.78Å; V470-W494 HydrophobicContact CG2-CZ3 4.36Å; W494-P496 WeakPolarHBondContact O-CD 3.44Å; W494-P499 VanDerWaalsContact CE2-O 3.32Å; W494-P499 WeakPolarHBondContact CZ2-O 3.47Å; W494-P499 VanDerWaalsContact NE1-C 3.34Å; W494-P499 PolarHBondContact NE1-O 3.07Å; W494-M501 VanDerWaalsContact CD1-O 3.26Å; W494-L502 HydrophobicContact CB-CD1 4.2Å; W494-L502 HydrophobicContact CD2-CB 4.47Å; W494-L502 HydrophobicContact CD2-CD1 4.02Å; W494-L502 HydrophobicContact CE3-CD1 3.77Å; W494-L502 HydrophobicContact CG-CD1 4.26Å; W494-L502 HydrophobicContact CZ3-CD1 4.47Å
495N96.9Very high96.2Very high6 Ų620.4 Ų20.43%0.03213%0.129CC..  trans-68.5123.2174.2-172.5-35.9000110F236 G240 A497 D498 M501F236-N495 HydrophobicContact CD1-CB 4.2Å; F236-N495 HydrophobicContact CD2-CB 3.98Å; F236-N495 HydrophobicContact CE1-CB 4.15Å; F236-N495 HydrophobicContact CE2-CB 3.92Å; F236-N495 HydrophobicContact CG-CB 4.12Å; F236-N495 HydrophobicContact CZ-CB 4.01Å; G240-N495 VanDerWaalsContact CA-OD1 3.25Å; G240-N495 WeakPolarHBondContact CA-OD1 3.46Å; G240-N495 PolarHBondContact O-ND2 3.25Å; N495-A497 VanDerWaalsContact C-N 3.26Å; N495-A497 PolarHBondContact O-N 2.81Å; N495-A497 PolarHBondContact OD1-N 2.95Å; N495-D498 PolarHBondContact OD1-N 2.88Å; N495-M501 HydrophobicContact CB-CB 3.93Å; N495-M501 HydrophobicContact CB-CG 4.27Å; N495-M501 WeakPolarHBondContact CB-O 3.35Å; N495-M501 HydrophobicContact CB-SD 4.28Å; N495-M501 PolarHBondContact N-O 2.9Å; N495-M501 PolarHBondContact ND2-SD 2.78Å; N495-M501 VanDerWaalsContact ND2-SD 3.43Å
496P94.9Very high96.2Very high53 Ų5319.8 Ų19.834%0.34413%0.126SC..SBendtrans-70.5-20-178.428-35.1000114S237 N238 W494S237-P496 WeakPolarHBondContact O-CG 3.32Å; N238-P496 WeakPolarHBondContact O-CG 3.32Å; W494-P496 WeakPolarHBondContact O-CD 3.44Å
497A93.2Very high96.3Very high67 Ų6714.7 Ų14.755%0.55410%0.099SC*.SBendtrans-99.1-32.4-179.400000113.3S239 N495S239-A497 WeakPolarHBondContact O-CB 3.43Å; N495-A497 VanDerWaalsContact C-N 3.26Å; N495-A497 PolarHBondContact O-N 2.81Å; N495-A497 PolarHBondContact OD1-N 2.95Å
498D93.5Very high96.4Very high27 Ų2715.8 Ų15.814%0.14410%0.1CC..  trans-115.8101.4174.9-170-12.1000111.5R262 N495 S500 M501R262-D498 IonicContact CZ-OD1 3.58Å; R262-D498 IonicContact CZ-OD2 2.74Å; R262-D498 IonicContact NE-OD1 3.54Å; R262-D498 IonicContact NE-OD2 3.24Å; R262-D498 PolarHBondContact NE-OD2 3.06Å; R262-D498 IonicContact NH2-OD1 3.03Å; R262-D498 PolarHBondContact NH2-OD1 3.24Å; R262-D498 IonicContact NH2-OD2 4Å; R262-D498 PolarHBondContact NH2-OD2 3.09Å; N495-D498 PolarHBondContact OD1-N 2.88Å; D498-S500 PolarHBondContact O-N 3.16Å; D498-S500 WeakPolarHBondContact OD1-CB 3.21Å; D498-S500 PolarHBondContact OD1-N 3.04Å; D498-S500 PolarHBondContact OD1-OG 3.35Å; D498-M501 HydrophobicContact CB-CB 4.14Å; D498-M501 PolarHBondContact O-N 2.91Å; D498-M501 VanDerWaalsContact O-N 3.1Å
499P93.1Very high96.5Very high28 Ų2815.5 Ų15.518%0.18210%0.1CC..THydrogen-bonded Turntrans-59-15.6177.5-25.435.1000114.8N190 A454 W494 M501N190-P499 PolarHBondContact ND2-O 2.55Å; N190-P499 WeakPolarHBondContact OD1-CB 3.4Å; A454-P499 HydrophobicContact CB-CB 4.31Å; A454-P499 HydrophobicContact CB-CG 4.14Å; W494-P499 VanDerWaalsContact CE2-O 3.32Å; W494-P499 WeakPolarHBondContact CZ2-O 3.47Å; W494-P499 VanDerWaalsContact NE1-C 3.34Å; W494-P499 PolarHBondContact NE1-O 3.07Å; P499-M501 VanDerWaalsContact C-N 3.32Å
500S92.9Very high96.6Very high7 Ų716.6 Ų16.65%0.04911%0.107CC..THydrogen-bonded Turntrans-90.71.8-178.9-43.10000112.9D215 R262 D498 G515D215-S500 WeakPolarHBondContact O-CA 3.2Å; D215-S500 WeakPolarHBondContact O-CB 3.23Å; D215-S500 PolarHBondContact O-OG 2.79Å; D215-S500 VanDerWaalsContact O-OG 3.09Å; R262-S500 VanDerWaalsContact NH2-CB 3.26Å; R262-S500 PolarHBondContact NH2-OG 3.16Å; D498-S500 PolarHBondContact O-N 3.16Å; D498-S500 WeakPolarHBondContact OD1-CB 3.21Å; D498-S500 PolarHBondContact OD1-N 3.04Å; D498-S500 PolarHBondContact OD1-OG 3.35Å; S500-G515 WeakPolarHBondContact O-CA 3.4Å
501M95.5Very high96.7Very high2 Ų216.1 Ų16.11%0.0111%0.105CC..  trans-121.1119.4-170.9-171.2-176.5-170.600111F236 V257 L264 W494 N495 D498 P499 I513F236-M501 HydrophobicContact CE1-CE 4.03Å; F236-M501 HydrophobicContact CE1-SD 4.14Å; F236-M501 HydrophobicContact CZ-CE 3.98Å; F236-M501 HydrophobicContact CZ-CG 4.18Å; F236-M501 HydrophobicContact CZ-SD 4.1Å; V257-M501 HydrophobicContact CG1-CE 3.87Å; V257-M501 HydrophobicContact CG1-SD 3.74Å; V257-M501 HydrophobicContact CG2-CE 4.28Å; L264-M501 HydrophobicContact CD1-CE 3.15Å; L264-M501 HydrophobicContact CG-CE 4.25Å; W494-M501 VanDerWaalsContact CD1-O 3.26Å; N495-M501 HydrophobicContact CB-CB 3.93Å; N495-M501 HydrophobicContact CB-CG 4.27Å; N495-M501 WeakPolarHBondContact CB-O 3.35Å; N495-M501 HydrophobicContact CB-SD 4.28Å; N495-M501 PolarHBondContact N-O 2.9Å; N495-M501 PolarHBondContact ND2-SD 2.78Å; N495-M501 VanDerWaalsContact ND2-SD 3.43Å; D498-M501 HydrophobicContact CB-CB 4.14Å; D498-M501 PolarHBondContact O-N 2.91Å; D498-M501 VanDerWaalsContact O-N 3.1Å; P499-M501 VanDerWaalsContact C-N 3.32Å; M501-I513 HydrophobicContact CE-CG2 3.7Å; M501-I513 HydrophobicContact CG-CG2 4.14Å
502L97.3Very high96.7Very high0 Ų017.9 Ų17.90%011%0.111CC..EExtended strand (participates in β ladder)trans-124.4140.5177.4173.974.1000108.7P217 A460 V468 V470 L482 W494 I513 W514P217-L502 HydrophobicContact CB-CB 4.06Å; P217-L502 HydrophobicContact CG-CB 4.07Å; A460-L502 HydrophobicContact CB-CD1 3.74Å; A460-L502 HydrophobicContact CB-CD2 4.31Å; V468-L502 HydrophobicContact CG1-CD2 4Å; V470-L502 HydrophobicContact CG2-CD2 4.17Å; L482-L502 HydrophobicContact CD1-CD2 3.83Å; W494-L502 HydrophobicContact CB-CD1 4.2Å; W494-L502 HydrophobicContact CD2-CB 4.47Å; W494-L502 HydrophobicContact CD2-CD1 4.02Å; W494-L502 HydrophobicContact CE3-CD1 3.77Å; W494-L502 HydrophobicContact CG-CD1 4.26Å; W494-L502 HydrophobicContact CZ3-CD1 4.47Å; L502-I513 WeakPolarHBondContact O-CA 3.31Å; L502-W514 HydrophobicContact CB-CB 4.18Å; L502-W514 HydrophobicContact CD2-CG 4.47Å; L502-W514 PolarHBondContact N-O 3.43Å; L502-W514 VanDerWaalsContact N-O 3.14Å; L502-W514 PolarHBondContact O-N 2.79Å
503A98.3Very high96.8Very high0 Ų017.7 Ų17.70%011%0.109CC..EExtended strand (participates in β ladder)trans-113.9147.4172.300000110.1F236 L243 A492 C493 R512 I513F236-A503 HydrophobicContact CE2-CB 3.59Å; F236-A503 HydrophobicContact CZ-CB 3.89Å; L243-A503 HydrophobicContact CD1-CB 4.15Å; L243-A503 HydrophobicContact CD2-CB 4.04Å; A492-A503 CarbonylContact C-O 3.58Å; A492-A503 WeakPolarHBondContact CA-O 3.24Å; C493-A503 PolarHBondContact N-O 3.29Å; C493-A503 PolarHBondContact O-N 3Å; A503-R512 CarbonylContact C-O 3.54Å; A503-R512 WeakPolarHBondContact CA-O 3.46Å; A503-I513 HydrophobicContact CB-CD1 3.77Å
504S98.4Very high96.7Very high0 Ų017.2 Ų17.20%011%0.106CC..EExtended strand (participates in β ladder)trans-139.5149.2168.662.70000111.5V468 H485 A491 V511 R512 W514V468-S504 VanDerWaalsContact CG2-CB 3.47Å; V468-S504 WeakPolarHBondContact CG2-OG 3.22Å; H485-S504 PolarHBondContact CD2-OG 2.65Å; H485-S504 PolarHBondContact NE2-OG 3.01Å; A491-S504 WeakPolarHBondContact O-CA 3.11Å; A491-S504 WeakPolarHBondContact O-CB 3.38Å; S504-V511 CarbonylContact O-C 3.54Å; S504-V511 VanDerWaalsContact O-CA 3.28Å; S504-V511 WeakPolarHBondContact O-CA 2.89Å; S504-V511 WeakPolarHBondContact O-CG1 3.31Å; S504-R512 PolarHBondContact N-O 2.57Å; S504-R512 PolarHBondContact O-N 3.33Å; S504-W514 PolarHBondContact OG-NE1 2.83Å
505C98.3Very high96.6Very high0 Ų016.8 Ų16.80%011%0.105CC..EExtended strand (participates in β ladder)trans-127.9152.217973.30000111.5V231 C234 V489 N490 A491 V511V231-C505 HydrophobicContact CB-CB 3.8Å; V231-C505 HydrophobicContact CG1-CB 3.51Å; V231-C505 PolarHBondContact O-SG 3.26Å; C234-C505 HydrophobicContact CB-CB 4.11Å; V489-C505 CarbonylContact C-O 3.56Å; V489-C505 WeakPolarHBondContact CA-O 3.49Å; V489-C505 WeakPolarHBondContact CG1-O 3.24Å; N490-C505 PolarHBondContact N-O 3.23Å; A491-C505 VanDerWaalsContact CB-SG 3.56Å; A491-C505 PolarHBondContact O-N 3.48Å; A491-C505 VanDerWaalsContact O-N 3.08Å; C505-V511 HydrophobicContact CB-CG2 3.89Å
506S98.2Very high96.3Very high0 Ų017.4 Ų17.40%011%0.109CC..EExtended strand (participates in β ladder)trans-146.8159.9-164.7171.30000113.5V231 H485 G487 V488 D508 G509 T510V231-S506 PolarHBondContact N-O 3.13Å; V231-S506 PolarHBondContact O-N 2.85Å; H485-S506 WeakPolarHBondContact ND1-CB 3.4Å; G487-S506 PolarHBondContact O-OG 3.49Å; V488-S506 CarbonylContact O-C 3.52Å; V488-S506 WeakPolarHBondContact O-CA 3.39Å; V488-S506 WeakPolarHBondContact O-CB 3.32Å; V488-S506 PolarHBondContact O-OG 3.12Å; S506-D508 VanDerWaalsContact CB-OD1 3.3Å; S506-D508 WeakPolarHBondContact CB-OD1 3.42Å; S506-D508 PolarHBondContact O-N 2.93Å; S506-D508 PolarHBondContact OG-N 3.21Å; S506-D508 VanDerWaalsContact OG-N 3.14Å; S506-D508 PolarHBondContact OG-OD1 2.76Å; S506-D508 PolarHBondContact OG-OD2 2.91Å; S506-G509 PolarHBondContact O-N 2.8Å; S506-T510 PolarHBondContact N-O 2.99Å
507D97.7Very high95.8Very high43 Ų4318.3 Ų18.323%0.2311%0.114CC..THydrogen-bonded Turntrans-62.9-14169.4-73.4-4.2000113.2E230 V488 N490 G509E230-D507 HydrophobicContact CG-CB 3.99Å; V488-D507 HydrophobicContact CB-CB 4.48Å; V488-D507 WeakPolarHBondContact CB-OD2 3.23Å; V488-D507 PolarHBondContact O-N 3.29Å; N490-D507 PolarHBondContact ND2-OD1 2.85Å; D507-G509 PolarHBondContact O-N 3.01Å
508D97.8Very high94.9Very high44 Ų4420.4 Ų20.424%0.23512%0.119CC..THydrogen-bonded Turntrans-734.1172.367.719.7000114.2H485 N486 S506 T510H485-D508 VanDerWaalsContact CA-OD2 3.22Å; H485-D508 WeakPolarHBondContact CA-OD2 3.36Å; H485-D508 WeakPolarHBondContact CB-OD2 3.1Å; H485-D508 IonicContact CE1-OD1 3.51Å; H485-D508 IonicContact CG-OD2 2.84Å; H485-D508 IonicContact ND1-OD1 3.62Å; H485-D508 PolarHBondContact ND1-OD1 3.28Å; H485-D508 IonicContact ND1-OD2 3.54Å; H485-D508 PolarHBondContact ND1-OD2 3.04Å; N486-D508 HydrophobicContact CB-CB 4.16Å; N486-D508 PolarHBondContact N-OD2 2.79Å; S506-D508 VanDerWaalsContact CB-OD1 3.3Å; S506-D508 WeakPolarHBondContact CB-OD1 3.42Å; S506-D508 PolarHBondContact O-N 2.93Å; S506-D508 PolarHBondContact OG-N 3.21Å; S506-D508 VanDerWaalsContact OG-N 3.14Å; S506-D508 PolarHBondContact OG-OD1 2.76Å; S506-D508 PolarHBondContact OG-OD2 2.91Å; D508-T510 PolarHBondContact O-N 2.8Å; D508-T510 WeakPolarHBondContact OD1-CA 3.27Å; D508-T510 VanDerWaalsContact OD1-CB 3.29Å; D508-T510 WeakPolarHBondContact OD1-CB 3.21Å; D508-T510 PolarHBondContact OD1-N 3.45Å; D508-T510 PolarHBondContact OD1-OG1 2.79Å; D508-T510 PolarHBondContact OD2-OG1 3.42Å
509G97.8Very high93.4Very high10 Ų1028.5 Ų28.510%0.10315%0.148CC..SBendtrans76.38.2179.800000114D229 S506 D507D229-G509 WeakPolarHBondContact O-CA 3.45Å; S506-G509 PolarHBondContact O-N 2.8Å; D507-G509 PolarHBondContact O-N 3.01Å
510T98.3Very high91.5Very high22 Ų2236.4 Ų36.414%0.13518%0.179CC..  trans-113.6152.3-176.776.40000113.2I223 L224 T225 H485 S506 D508I223-T510 HydrophobicContact CG2-CG2 4.16Å; L224-T510 WeakPolarHBondContact O-CA 3.43Å; T225-T510 HydrophobicContact CG2-CG2 4.1Å; H485-T510 PolarHBondContact CE1-OG1 3.15Å; H485-T510 PolarHBondContact ND1-OG1 3.34Å; S506-T510 PolarHBondContact N-O 2.99Å; D508-T510 PolarHBondContact O-N 2.8Å; D508-T510 WeakPolarHBondContact OD1-CA 3.27Å; D508-T510 VanDerWaalsContact OD1-CB 3.29Å; D508-T510 WeakPolarHBondContact OD1-CB 3.21Å; D508-T510 PolarHBondContact OD1-N 3.45Å; D508-T510 PolarHBondContact OD1-OG1 2.79Å; D508-T510 PolarHBondContact OD2-OG1 3.42Å
511V98.5Very high89.3Confident0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-114.3123.1166.3-178.30000108.2L224 V231 L243 T245 S504 C505 I513L224-V511 HydrophobicContact CB-CB 4.14Å; L224-V511 HydrophobicContact CD1-CB 4.18Å; L224-V511 HydrophobicContact CD1-CG1 4.22Å; L224-V511 HydrophobicContact CG-CB 4.48Å; L224-V511 PolarHBondContact N-O 2.89Å; L224-V511 PolarHBondContact O-N 2.92Å; V231-V511 HydrophobicContact CB-CG2 4.39Å; V231-V511 HydrophobicContact CG1-CG2 3.85Å; V231-V511 HydrophobicContact CG2-CG2 4.29Å; L243-V511 HydrophobicContact CD2-CG1 4.27Å; T245-V511 HydrophobicContact CG2-CB 4.37Å; T245-V511 HydrophobicContact CG2-CG1 3.99Å; T245-V511 HydrophobicContact CG2-CG2 3.8Å; S504-V511 CarbonylContact O-C 3.54Å; S504-V511 VanDerWaalsContact O-CA 3.28Å; S504-V511 WeakPolarHBondContact O-CA 2.89Å; S504-V511 WeakPolarHBondContact O-CG1 3.31Å; C505-V511 HydrophobicContact CB-CG2 3.89Å; V511-I513 HydrophobicContact CG1-CD1 4.48Å
512R98.4Very high86.7Confident37 Ų3750.2 Ų50.214%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-102.4136.1178.6-73.6-176.9173.3-119.1-2.6110.5T220 I223 G484 H485 A503 S504 W514T220-R512 HydrophobicContact CG2-CB 3.98Å; T220-R512 HydrophobicContact CG2-CG 3.86Å; T220-R512 PolarHBondContact OG1-NH1 3.5Å; I223-R512 HydrophobicContact CG1-CG 4.36Å; G484-R512 PolarHBondContact O-NH2 2.86Å; H485-R512 VanDerWaalsContact CE1-CG 3.48Å; H485-R512 WeakPolarHBondContact CE1-CG 3.33Å; A503-R512 CarbonylContact C-O 3.54Å; A503-R512 WeakPolarHBondContact CA-O 3.46Å; S504-R512 PolarHBondContact N-O 2.57Å; S504-R512 PolarHBondContact O-N 3.33Å; R512-W514 HydrophobicContact CB-CZ2 3.87Å; R512-W514 HydrophobicContact CG-CZ2 4.43Å
513I98Very high83.9Confident1 Ų155.4 Ų55.41%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-104.8127171-51.1-60000107.4T220 T221 Q222 L243 L264 M501 L502 A503 V511T220-I513 CarbonylContact C-O 3.58Å; T220-I513 VanDerWaalsContact CA-O 3.3Å; T220-I513 WeakPolarHBondContact CA-O 3.48Å; T221-I513 PolarHBondContact N-O 2.81Å; T221-I513 PolarHBondContact OG1-O 3.12Å; Q222-I513 HydrophobicContact CB-CB 4.15Å; Q222-I513 HydrophobicContact CB-CG1 4.26Å; Q222-I513 PolarHBondContact O-N 2.69Å; L243-I513 HydrophobicContact CD2-CD1 4.01Å; L264-I513 HydrophobicContact CD1-CB 4.48Å; L264-I513 HydrophobicContact CD1-CD1 3.82Å; L264-I513 HydrophobicContact CD1-CG1 3.67Å; L264-I513 HydrophobicContact CD1-CG2 4.15Å; L264-I513 HydrophobicContact CD2-CD1 3.87Å; L264-I513 HydrophobicContact CD2-CG1 4.41Å; M501-I513 HydrophobicContact CE-CG2 3.7Å; M501-I513 HydrophobicContact CG-CG2 4.14Å; L502-I513 WeakPolarHBondContact O-CA 3.31Å; A503-I513 HydrophobicContact CB-CD1 3.77Å; V511-I513 HydrophobicContact CG1-CD1 4.48Å
514W96.9Very high81.2Confident3 Ų361.4 Ų61.41%0.01132%0.323CS..EExtended strand (participates in β ladder)trans-107.9134.3-178.4-48.289000109.1P217 E219 T220 V468 L482 L502 S504 R512P217-W514 HydrophobicContact CB-CB 3.83Å; P217-W514 WeakPolarHBondContact CB-O 3.41Å; E219-W514 CarbonylContact O-C 3.58Å; E219-W514 VanDerWaalsContact O-CA 3.27Å; E219-W514 WeakPolarHBondContact O-CA 3.46Å; T220-W514 WeakPolarHBondContact OG1-CH2 3.03Å; T220-W514 WeakPolarHBondContact OG1-CZ3 3.37Å; V468-W514 HydrophobicContact CG2-CZ2 4.03Å; L482-W514 HydrophobicContact CB-CD2 4.16Å; L482-W514 HydrophobicContact CB-CE3 3.75Å; L482-W514 HydrophobicContact CB-CH2 3.78Å; L482-W514 HydrophobicContact CB-CZ2 4.18Å; L482-W514 HydrophobicContact CB-CZ3 3.54Å; L482-W514 HydrophobicContact CD1-CB 4.14Å; L482-W514 HydrophobicContact CD1-CD2 3.67Å; L482-W514 HydrophobicContact CD1-CE3 3.86Å; L482-W514 HydrophobicContact CD1-CG 3.79Å; L482-W514 HydrophobicContact CG-CE3 4.28Å; L502-W514 HydrophobicContact CB-CB 4.18Å; L502-W514 HydrophobicContact CD2-CG 4.47Å; L502-W514 PolarHBondContact N-O 3.43Å; L502-W514 VanDerWaalsContact N-O 3.14Å; L502-W514 PolarHBondContact O-N 2.79Å; S504-W514 PolarHBondContact OG-NE1 2.83Å; R512-W514 HydrophobicContact CB-CZ2 3.87Å; R512-W514 HydrophobicContact CG-CZ2 4.43Å
515G93.9Very high78.4Confident2 Ų268.5 Ų68.52%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-147.8179.5-178.500000112P217 Y218 E219 S500P217-G515 CarbonylContact C-O 3.52Å; P217-G515 WeakPolarHBondContact CA-O 3.48Å; Y218-G515 PolarHBondContact N-O 2.8Å; E219-G515 PolarHBondContact N-O 3.15Å; E219-G515 PolarHBondContact O-N 3.26Å; S500-G515 WeakPolarHBondContact O-CA 3.4Å
516P91.1Very high75.4Confident20 Ų2071.4 Ų71.413%0.1339%0.392CS..  trans-65.2155.8-179.128.4-36000112.7T214 F216 V518T214-P516 WeakPolarHBondContact O-CB 3.43Å; F216-P516 VanDerWaalsContact O-CA 3.23Å; F216-P516 WeakPolarHBondContact O-CA 3.44Å; P516-V518 PolarHBondContact O-N 2.85Å; P516-V518 VanDerWaalsContact O-N 3.09Å
517V84.3Confident72.3Confident72 Ų7278.9 Ų78.944%0.43643%0.432SS..  trans-61.5114172.9-1770000108.3Y218 E219 R519Y218-V517 HydrophobicContact CD2-CG2 4.44Å; Y218-V517 HydrophobicContact CG-CG2 4.33Å; E219-V517 HydrophobicContact CG-CG2 4.18Å; V517-R519 PolarHBondContact O-N 3.42Å
518V74.8Confident69.4Low111 Ų11182.2 Ų82.267%0.67346%0.458SS*.  trans-70.9105.1169.1-177.50000106.2P516 K520P516-V518 PolarHBondContact O-N 2.85Å; P516-V518 VanDerWaalsContact O-N 3.09Å; V518-K520 PolarHBondContact O-N 2.92Å
519R62.4Low66.4Low197 Ų19786.6 Ų86.674%0.74348%0.482SS*.  trans-56.4107.9166.5-73.7-175.8178.3175.51.3106.2V517 D521V517-R519 PolarHBondContact O-N 3.42Å; R519-D521 PolarHBondContact O-N 2.72Å
520K52.1Low63.5Low194 Ų19492.7 Ų92.784%0.84352%0.521SS*.  trans-59.299.9160.5-74.5-179179.8174.80104V518 N522V518-K520 PolarHBondContact O-N 2.92Å; K520-N522 PolarHBondContact O-N 3.16Å
521D47.7Very low60.6Low147 Ų14796 Ų9679%0.78655%0.545SS*.  trans-45.8123.7168.8-87.1-31.3000106.3R519 T523R519-D521 PolarHBondContact O-N 2.72Å; D521-T523 PolarHBondContact O-N 3.34Å
522N40.7Very low57.6Low152 Ų152102 Ų10281%0.81358%0.582SS**  trans-41.3112.3175.7-78.2-33.4000107.2K520 P524K520-N522 PolarHBondContact O-N 3.16Å; N522-P524 WeakPolarHBondContact O-CD 3.49Å
523T37.8Very low54.7Low108 Ų108115.4 Ų115.466%0.66363%0.633SS**  trans-44.7122.7157.744.40000105.2D521 N525D521-T523 PolarHBondContact O-N 3.34Å; T523-N525 PolarHBondContact O-N 3.23Å
524P42.5Very low52.5Low127 Ų127121.2 Ų121.283%0.82566%0.664SS**  trans-65.692.7-17825-30.5000106.3N522 G526N522-P524 WeakPolarHBondContact O-CD 3.49Å; P524-G526 PolarHBondContact O-N 2.67Å
525N39.2Very low50.2Low148 Ų148127.4 Ų127.479%0.79170%0.698SS**  trans-62.4113.9172.4-102.3-8.9000105.1T523 N527T523-N525 PolarHBondContact O-N 3.23Å; N525-N527 PolarHBondContact O-N 3.05Å
526G34.8Very low47.8Very low62 Ų62134.3 Ų134.364%0.63974%0.736SS**  trans-49.2122.7-178.800000110.5P524P524-G526 PolarHBondContact O-N 2.67Å
527N34.1Very low45.2Very low157 Ų157141.1 Ų141.184%0.8477%0.772SS**  trans-138.962.5146-105.4-10.5000107.7N525 N529N525-N527 PolarHBondContact O-N 3.05Å; N527-N529 PolarHBondContact O-N 3.47Å
528S36.6Very low42.8Very low112 Ų112145.4 Ų145.478%0.78379%0.793SS**  trans-71.176.315156.10000107.7
529N34.4Very low40.7Very low137 Ų137147.7 Ų147.773%0.73380%0.801SS**  trans-158.876.4163.3-96.2-16.9000108.9N527N527-N529 PolarHBondContact O-N 3.47Å
530C37.5Very low39.1Very low137 Ų137144.1 Ų144.193%0.92681%0.805SS**  trans-154.766.2142.5-122.40000108.9
531S37.1Very low38.1Very low93 Ų93140.3 Ų140.365%0.6580%0.802SS**  trans-72.3125.3158.750.70000109.2
532T34.8Very low37.3Very low126 Ų126139.8 Ų139.877%0.77380%0.803SS**  trans48.8121138.958.60000117.4
533R38.3Very low37Very low318 Ų318138.6 Ų138.6100%1.280%0.802SS**  -173.6051.1-126.3175.9-171.6-179.22.9108.5

Retrieved 533 of 533 residues in 1079.9 ms (Link to these results)

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