A0A087X4Z5_POEFO Loading...

Family with sequence similarity 234 member B

AlphaFold DB , UniProt , Accession A0A087X4Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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
1M49.7Very low51.7Low190 Ų190109.9 Ų109.994%0.93660%0.598SS**  0-34.60-87.1-153.883.300114.5I3 V4 L5M1-I3 PolarHBondContact O-N 3.33Å; M1-V4 PolarHBondContact O-N 3.32Å; M1-L5 HydrophobicContact CE-CD1 4.5Å; M1-L5 PolarHBondContact O-N 3.38Å
2L48.3Very low52Low138 Ų138107.1 Ų107.172%0.72359%0.589SS**Hα-helixtrans-61.8-37.3-178.2-133.691.8000114.2L5 L6L2-L5 PolarHBondContact O-N 3.33Å; L2-L6 PolarHBondContact O-N 3.47Å
3I50.2Low52.1Low135 Ų135104.8 Ų104.869%0.69258%0.584SS**Hα-helixtrans-66.9-36.9179.5-65170.3000111.8M1 L6 C7M1-I3 PolarHBondContact O-N 3.33Å; I3-L6 PolarHBondContact O-N 2.98Å; I3-C7 PolarHBondContact O-N 3.4Å; I3-C7 PolarHBondContact O-SG 2.96Å; I3-C7 VanDerWaalsContact O-SG 3.33Å
4V53.5Low52.6Low108 Ų108106.1 Ų106.166%0.65558%0.583SS**Hα-helixtrans-69.2-39.1178.9-179.30000111M1 A8M1-V4 PolarHBondContact O-N 3.32Å; V4-A8 WeakPolarHBondContact O-CB 3.2Å; V4-A8 PolarHBondContact O-N 3.43Å
5L51.3Low53.2Low89 Ų89104.8 Ų104.847%0.46657%0.569SS.*Hα-helixtrans-67.8-41.7173.6-87.3149000111.7M1 L2 C7 A8 F9M1-L5 HydrophobicContact CE-CD1 4.5Å; M1-L5 PolarHBondContact O-N 3.38Å; L2-L5 PolarHBondContact O-N 3.33Å; L5-C7 PolarHBondContact O-N 2.97Å; L5-A8 PolarHBondContact O-N 3.18Å; L5-F9 HydrophobicContact CD2-CD2 4.38Å; L5-F9 HydrophobicContact CD2-CE2 3.71Å; L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 3.25Å
6L47.4Very low53.6Low96 Ų96101.3 Ų101.350%0.50356%0.559SS.*Hα-helixtrans-59.9-45.8174.6-115.695.5000111.7L2 I3 A8 F9 L10L2-L6 PolarHBondContact O-N 3.47Å; I3-L6 PolarHBondContact O-N 2.98Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 3.47Å; L6-F9 PolarHBondContact O-N 2.95Å; L6-L10 HydrophobicContact CB-CD1 4.27Å; L6-L10 HydrophobicContact CD2-CD1 3.71Å; L6-L10 HydrophobicContact CG-CD1 4.03Å; L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.14Å; L6-L10 PolarHBondContact O-N 3.4Å
7C52.8Low54.2Low71 Ų71102.1 Ų102.148%0.4856%0.557SS.*Hα-helixtrans-65.6-35.2176.9-68.90000112.6I3 L5 F9 V11I3-C7 PolarHBondContact O-N 3.4Å; I3-C7 PolarHBondContact O-SG 2.96Å; I3-C7 VanDerWaalsContact O-SG 3.33Å; L5-C7 PolarHBondContact O-N 2.97Å; C7-F9 VanDerWaalsContact C-N 3.33Å; C7-F9 PolarHBondContact O-N 3.45Å; C7-V11 VanDerWaalsContact O-CB 3.32Å; C7-V11 WeakPolarHBondContact O-CB 3.46Å; C7-V11 WeakPolarHBondContact O-CG2 3.23Å; C7-V11 PolarHBondContact O-N 3.44Å
8A54.4Low54.8Low61 Ų6199.8 Ų99.850%0.50454%0.544SS..Hα-helixtrans-68.5-28.2178.800000113.7V4 L5 L6 P12V4-A8 WeakPolarHBondContact O-CB 3.2Å; V4-A8 PolarHBondContact O-N 3.43Å; L5-A8 PolarHBondContact O-N 3.18Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 3.47Å; A8-P12 WeakPolarHBondContact O-CD 3.15Å; A8-P12 WeakPolarHBondContact O-CG 3.25Å
9F53.9Low55.3Low151 Ų15195.6 Ų95.666%0.66252%0.52SS*.Hα-helixtrans-97.3-31.8178.7-73-71.4000114L5 L6 C7L5-F9 HydrophobicContact CD2-CD2 4.38Å; L5-F9 HydrophobicContact CD2-CE2 3.71Å; L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 3.25Å; L6-F9 PolarHBondContact O-N 2.95Å; C7-F9 VanDerWaalsContact C-N 3.33Å; C7-F9 PolarHBondContact O-N 3.45Å
10L51.8Low55.9Low91 Ų9198.7 Ų98.748%0.47653%0.529SS..Hα-helixtrans-77.7-38.7-178.8-70.5169000112.9L6 C13 Q14L6-L10 HydrophobicContact CB-CD1 4.27Å; L6-L10 HydrophobicContact CD2-CD1 3.71Å; L6-L10 HydrophobicContact CG-CD1 4.03Å; L6-L10 VanDerWaalsContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.14Å; L6-L10 PolarHBondContact O-N 3.4Å; L10-C13 PolarHBondContact O-N 3.28Å; L10-Q14 WeakPolarHBondContact O-CG 3.32Å; L10-Q14 PolarHBondContact O-N 3.27Å
11V55.5Low56.5Low79 Ų7999.6 Ų99.648%0.47953%0.528SS..Hα-helixtrans-64.3-43.8-177174.60000112.6C7 C13 K15C7-V11 VanDerWaalsContact O-CB 3.32Å; C7-V11 WeakPolarHBondContact O-CB 3.46Å; C7-V11 WeakPolarHBondContact O-CG2 3.23Å; C7-V11 PolarHBondContact O-N 3.44Å; V11-C13 VanDerWaalsContact C-N 3.32Å; V11-C13 PolarHBondContact O-N 3.03Å; V11-K15 PolarHBondContact O-N 3.48Å; V11-K15 VanDerWaalsContact O-N 3.16Å
12P55.5Low57.8Low76 Ų7690.6 Ų90.649%0.49448%0.483SS..Hα-helixtrans-65.9-33.1175.4-20.933.3000113.4A8 K15 A16A8-P12 WeakPolarHBondContact O-CD 3.15Å; A8-P12 WeakPolarHBondContact O-CG 3.25Å; P12-K15 PolarHBondContact O-N 2.93Å; P12-A16 PolarHBondContact O-N 3.05Å; P12-A16 VanDerWaalsContact O-N 3.09Å
13C53.4Low59.7Low77 Ų7788.3 Ų88.352%0.5247%0.469SS..Hα-helixtrans-71-44.1-178.8-155.70000111.4L10 V11 K15 A16 E17L10-C13 PolarHBondContact O-N 3.28Å; V11-C13 VanDerWaalsContact C-N 3.32Å; V11-C13 PolarHBondContact O-N 3.03Å; C13-K15 VanDerWaalsContact C-N 3.31Å; C13-K15 PolarHBondContact O-N 3.41Å; C13-A16 PolarHBondContact O-N 3.32Å; C13-E17 PolarHBondContact O-N 3.09Å
14Q59.5Low61.6Low124 Ų12483.4 Ų83.458%0.57944%0.442SS*.Hα-helixtrans-61.2-39.5173.4-73.3-177.7-17.800112.2L10 E17 L18L10-Q14 WeakPolarHBondContact O-CG 3.32Å; L10-Q14 PolarHBondContact O-N 3.27Å; Q14-E17 PolarHBondContact O-N 3.16Å; Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 3.41Å
15K60.8Low63.5Low86 Ų8682.6 Ų82.637%0.37443%0.431SS..Hα-helixtrans-64-44.1177.1-174.9172.5-1791760112.5V11 P12 C13 E17 L18 E19 L457V11-K15 PolarHBondContact O-N 3.48Å; V11-K15 VanDerWaalsContact O-N 3.16Å; P12-K15 PolarHBondContact O-N 2.93Å; C13-K15 VanDerWaalsContact C-N 3.31Å; C13-K15 PolarHBondContact O-N 3.41Å; K15-E17 VanDerWaalsContact C-N 3.35Å; K15-L18 PolarHBondContact O-N 3.34Å; K15-E19 WeakPolarHBondContact O-CG 3.3Å; K15-E19 PolarHBondContact O-N 2.98Å; K15-L457 HydrophobicContact CG-CD2 4.14Å
16A60.1Low65.4Low48 Ų4882.3 Ų82.340%0.39742%0.424SS..Hα-helixtrans-67.1-34.5177.900000112.6P12 C13 K20P12-A16 PolarHBondContact O-N 3.05Å; P12-A16 VanDerWaalsContact O-N 3.09Å; C13-A16 PolarHBondContact O-N 3.32Å; A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 3.5Å
17E63.9Low67.4Low115 Ų11580.8 Ų80.854%0.53743%0.425SS..Hα-helixtrans-69.2-38.6171.9-78-169.9155.300112.7C13 Q14 K15 K20 K21C13-E17 PolarHBondContact O-N 3.09Å; Q14-E17 PolarHBondContact O-N 3.16Å; K15-E17 VanDerWaalsContact C-N 3.35Å; E17-K20 PolarHBondContact O-N 3.25Å; E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 2.62Å
18L64.1Low69.1Low61 Ų6177.6 Ų77.632%0.31940%0.403SS..Hα-helixtrans-65.6-43.9176-135.485.2000111.4Q14 K15 K20 K21 L22 L457Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 3.41Å; K15-L18 PolarHBondContact O-N 3.34Å; L18-K20 PolarHBondContact O-N 2.98Å; L18-K21 WeakPolarHBondContact O-CB 3.26Å; L18-K21 PolarHBondContact O-N 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.11Å; L18-L457 HydrophobicContact CB-CD1 4.25Å; L18-L457 HydrophobicContact CD2-CD1 3.73Å; L18-L457 HydrophobicContact CD2-CD2 4.35Å; L18-L457 HydrophobicContact CD2-CG 4.14Å
19E64.9Low70.5Confident20 Ų2075.7 Ų75.79%0.09339%0.389CS..Hα-helixtrans-58.5-35.7175.6-75177.3-172.300111.9K15 K490K15-E19 WeakPolarHBondContact O-CG 3.3Å; K15-E19 PolarHBondContact O-N 2.98Å; E19-K490 IonicContact OE1-NZ 3.59Å; E19-K490 IonicContact OE2-NZ 2.62Å; E19-K490 PolarHBondContact OE2-NZ 3.35Å
20K67.1Low71.9Confident157 Ų15770.2 Ų70.268%0.68337%0.367SS*.Hα-helixtrans-70.6-33.9173.2-76.1-179.4179.7-178.30113.3A16 E17 L18 L22 Q23A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 3.5Å; E17-K20 PolarHBondContact O-N 3.25Å; L18-K20 PolarHBondContact O-N 2.98Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-Q23 PolarHBondContact O-N 3.4Å
21K69.8Low73Confident119 Ų11966.8 Ų66.852%0.51735%0.352SS..Hα-helixtrans-69.8-32.4177.4-74.4177.8-180179.30111.8E17 L18 Q23 V80E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 2.62Å; L18-K21 WeakPolarHBondContact O-CB 3.26Å; L18-K21 PolarHBondContact O-N 3.47Å; K21-Q23 PolarHBondContact O-N 3.04Å; K21-Q23 VanDerWaalsContact O-N 3.08Å; K21-V80 CarbonylContact C-O 3.53Å; K21-V80 VanDerWaalsContact C-O 3.3Å; K21-V80 HydrophobicContact CB-CG1 4.48Å
22L75.7Confident73.4Confident0 Ų066.3 Ų66.30%036%0.363CS..THydrogen-bonded Turntrans-73.18.5175.8-64.2166.1000114.2L18 K20 V80 L454 L457 T461 S484L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.11Å; K20-L22 VanDerWaalsContact C-N 3.32Å; L22-V80 HydrophobicContact CD2-CG2 4.31Å; L22-L454 HydrophobicContact CD1-CD2 3.52Å; L22-L454 HydrophobicContact CD2-CD2 4.23Å; L22-L454 HydrophobicContact CG-CD2 4.5Å; L22-L457 HydrophobicContact CD1-CD1 4Å; L22-T461 HydrophobicContact CB-CG2 4.27Å; L22-T461 HydrophobicContact CD2-CG2 4.14Å; L22-S484 PolarHBondContact O-N 2.89Å
23Q87.5Confident74Confident91 Ų9164.4 Ų64.443%0.42536%0.357SS..  trans-120109.1174.7-67.2-172.4-38.500109.4K20 K21 S482 A487K20-Q23 PolarHBondContact O-N 3.4Å; K21-Q23 PolarHBondContact O-N 3.04Å; K21-Q23 VanDerWaalsContact O-N 3.08Å; Q23-S482 WeakPolarHBondContact CA-O 3.27Å; Q23-A487 VanDerWaalsContact NE2-CB 3.3Å
24W91.5Very high74.7Confident31 Ų3165.9 Ų65.912%0.11736%0.363CS..EExtended strand (participates in β ladder)trans-153.8157.8179.556.2-98.8000111.4R26 V52 V77 A79 G82 V480 E481 S482W24-R26 HydrophobicContact CE3-CB 4.19Å; W24-R26 HydrophobicContact CZ3-CB 4.05Å; W24-V52 HydrophobicContact CH2-CG2 4.35Å; W24-V52 HydrophobicContact CZ2-CG2 4.37Å; W24-V77 HydrophobicContact CH2-CG1 3.76Å; W24-V77 HydrophobicContact CZ2-CG1 4.2Å; W24-V77 HydrophobicContact CZ3-CG1 4.23Å; W24-A79 PolarHBondContact NE1-O 3.31Å; W24-G82 VanDerWaalsContact CE2-CA 3.41Å; W24-V480 HydrophobicContact CH2-CG1 3.85Å; W24-V480 HydrophobicContact CZ3-CB 4.18Å; W24-V480 HydrophobicContact CZ3-CG1 3.92Å; W24-E481 WeakPolarHBondContact O-CA 3.49Å; W24-S482 PolarHBondContact N-O 3.47Å; W24-S482 PolarHBondContact O-N 3.36Å
25E92.3Very high75.5Confident91 Ų9165 Ų6543%0.42537%0.367SS..EExtended strand (participates in β ladder)trans-128.8141.5173.2-167.3-163.3114.800109.1R468 V479 V480 E481E25-R468 VanDerWaalsContact CD-NH2 3.3Å; E25-R468 IonicContact OE1-CZ 3.7Å; E25-R468 VanDerWaalsContact OE1-CZ 3.3Å; E25-R468 IonicContact OE1-NH1 2.78Å; E25-R468 PolarHBondContact OE1-NH1 2.87Å; E25-R468 IonicContact OE1-NH2 3.75Å; E25-R468 PolarHBondContact OE1-NH2 3.28Å; E25-R468 IonicContact OE2-CZ 3.58Å; E25-R468 IonicContact OE2-NH1 2.86Å; E25-R468 PolarHBondContact OE2-NH1 3.38Å; E25-R468 IonicContact OE2-NH2 3.4Å; E25-R468 PolarHBondContact OE2-NH2 3.23Å; E25-V479 HydrophobicContact CG-CG1 3.24Å; E25-V479 WeakPolarHBondContact OE1-CG1 3.31Å; E25-V480 CarbonylContact C-O 3.49Å; E25-V480 WeakPolarHBondContact CA-O 3.37Å; E25-E481 HydrophobicContact CG-CB 4.4Å
26R91.4Very high76.6Confident83 Ų8364.6 Ų64.631%0.31337%0.373SS..EExtended strand (participates in β ladder)trans-142126.3176.3-175.1158.4-68.3-155.27.1112W24 L28 G82 V84 V479 V480W24-R26 HydrophobicContact CE3-CB 4.19Å; W24-R26 HydrophobicContact CZ3-CB 4.05Å; R26-L28 HydrophobicContact CG-CD2 3.8Å; R26-L28 HydrophobicContact CG-CG 4.06Å; R26-G82 WeakPolarHBondContact CD-O 3.44Å; R26-G82 PolarHBondContact NE-O 2.82Å; R26-G82 PolarHBondContact NH1-O 2.93Å; R26-G82 VanDerWaalsContact NH1-O 3.16Å; R26-G82 PolarHBondContact NH2-O 3.35Å; R26-V84 VanDerWaalsContact NH1-N 3.13Å; R26-V479 WeakPolarHBondContact O-CA 3.42Å; R26-V480 PolarHBondContact N-O 3.46Å; R26-V480 PolarHBondContact O-N 3.39Å
27A90.8Very high78Confident64 Ų6463.3 Ų63.353%0.52936%0.361SS..EExtended strand (participates in β ladder)trans-74.8126.6165.600000110.2Q478A27-Q478 CarbonylContact C-O 3.55Å; A27-Q478 WeakPolarHBondContact CA-O 3.48Å
28L87.8Confident79.4Confident5 Ų558.3 Ų58.33%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-128.692.5179-65.3178.7000108.7R26 L54 V56 V75 V77 V84 Q478 V480R26-L28 HydrophobicContact CG-CD2 3.8Å; R26-L28 HydrophobicContact CG-CG 4.06Å; L28-L54 HydrophobicContact CD1-CD2 4.16Å; L28-V56 HydrophobicContact CB-CG1 4.49Å; L28-V56 HydrophobicContact CB-CG2 4.01Å; L28-V75 HydrophobicContact CD2-CG1 4.5Å; L28-V77 HydrophobicContact CD1-CG2 3.9Å; L28-V84 HydrophobicContact CD2-CG2 4.23Å; L28-Q478 PolarHBondContact N-O 2.97Å; L28-Q478 WeakPolarHBondContact O-CB 3.34Å; L28-Q478 PolarHBondContact O-OE1 3.08Å; L28-V480 HydrophobicContact CD1-CB 4.39Å; L28-V480 HydrophobicContact CD1-CG2 3.62Å; L28-V480 HydrophobicContact CG-CG2 4.34Å
29G84.4Confident80.7Confident20 Ų2055.6 Ų55.621%0.20633%0.325CS..EExtended strand (participates in β ladder)trans65.9-164.4176.900000115.9Q478G29-Q478 PolarHBondContact O-N 2.8Å
30D83.2Confident82.1Confident37 Ų3754.6 Ų54.620%0.19832%0.32CS..EExtended strand (participates in β ladder)trans-92136.8-175.8-63-66.3000110.4G32 T57 E58 W59 S476D30-G32 PolarHBondContact O-N 3.06Å; D30-T57 PolarHBondContact N-O 3.41Å; D30-E58 WeakPolarHBondContact OD2-CA 3.46Å; D30-W59 PolarHBondContact OD2-N 3.4Å; D30-S476 CarbonylContact C-O 3.52Å; D30-S476 WeakPolarHBondContact CA-O 3.15Å
31A73.8Confident83.3Confident18 Ų1847.2 Ų47.215%0.14929%0.288CS..  trans-73.1120.7175.100000110.3G33 S467 S476 Q478A31-G33 PolarHBondContact O-N 2.83Å; A31-S467 VanDerWaalsContact CB-OG 3.25Å; A31-S467 WeakPolarHBondContact CB-OG 3.49Å; A31-S476 VanDerWaalsContact CB-OG 3.27Å; A31-S476 WeakPolarHBondContact CB-OG 3.39Å; A31-S476 PolarHBondContact N-O 2.9Å; A31-Q478 HydrophobicContact CB-CB 4.17Å
32G63.3Low84.4Confident70 Ų7043.6 Ų43.672%0.72227%0.271SS*.  trans-74.722.7175.700000114.6D30D30-G32 PolarHBondContact O-N 3.06Å
33G69.5Low85.2Confident36 Ų3645.4 Ų45.437%0.37128%0.281SS..SBendtrans89.8-138-172.700000113A31A31-G33 PolarHBondContact O-N 2.83Å
34V67.4Low85.5Confident107 Ų10741.2 Ų41.265%0.64826%0.261SS*.SBendtrans-95.33.1-174.9-62.20000114P36 T445 V447V34-P36 WeakPolarHBondContact O-CD 3.46Å; V34-T445 HydrophobicContact CG1-CG2 4.09Å; V34-V447 VanDerWaalsContact O-CG1 3.31Å; V34-V447 WeakPolarHBondContact O-CG1 3.24Å
35T76.7Confident85.5Confident106 Ų10643 Ų4365%0.6527%0.273SS*.SBendtrans-78.2123.1177.9-56.20000109.9V447T35-V447 VanDerWaalsContact C-CG1 3.42Å; T35-V447 WeakPolarHBondContact O-CG1 3.28Å
36P83Confident85.3Confident77 Ų7741.3 Ų41.350%0.528%0.281SS..PPolyproline II helixtrans-56.8131.8176.1-25.534.6000112V34 V447V34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-V447 VanDerWaalsContact CA-CG1 3.43Å; P36-V447 HydrophobicContact CB-CG1 4.23Å; P36-V447 HydrophobicContact CG-CG1 4.08Å
37P89.8Confident85.1Confident22 Ų2240.4 Ų40.414%0.14328%0.282CS..PPolyproline II helixtrans-68.2157.2167.432.1-36.9000110.5L39 L54 G55 T448 V465P37-L39 PolarHBondContact O-N 3.21Å; P37-L54 HydrophobicContact CB-CD1 4.16Å; P37-L54 HydrophobicContact CB-CG 4.17Å; P37-L54 HydrophobicContact CG-CD1 3.77Å; P37-L54 HydrophobicContact CG-CD2 4.45Å; P37-L54 HydrophobicContact CG-CG 4.22Å; P37-G55 WeakPolarHBondContact CB-O 3.32Å; P37-T448 HydrophobicContact CG-CG2 4.13Å; P37-V465 HydrophobicContact CG-CG1 3.97Å
38A92.8Very high84.8Confident10 Ų1041.9 Ų41.98%0.08329%0.288CS..PPolyproline II helixtrans-58130163.900000109.4L54 G55 V94 L97A38-L54 CarbonylContact O-C 3.55Å; A38-L54 WeakPolarHBondContact O-CA 3.41Å; A38-G55 PolarHBondContact O-N 3.03Å; A38-V94 HydrophobicContact CB-CB 4.24Å; A38-V94 HydrophobicContact CB-CG1 3.65Å; A38-L97 HydrophobicContact CB-CD1 4.11Å; A38-L97 HydrophobicContact CB-CG 4.02Å
39L93.2Very high84.8Confident3 Ų342 Ų422%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-135.6135.5-178.1175.161.4000108.9P37 V52 L53 L54 N281 N283 T448 A450 V465P37-L39 PolarHBondContact O-N 3.21Å; L39-V52 HydrophobicContact CD1-CG1 3.6Å; L39-L53 WeakPolarHBondContact CA-O 3.46Å; L39-L54 HydrophobicContact CB-CD1 4.17Å; L39-L54 HydrophobicContact CD1-CD1 3.77Å; L39-N281 HydrophobicContact CB-CB 4.4Å; L39-N281 HydrophobicContact CD2-CB 3.92Å; L39-N281 HydrophobicContact CG-CB 4.09Å; L39-N283 PolarHBondContact O-ND2 2.86Å; L39-T448 HydrophobicContact CD2-CG2 3.91Å; L39-A450 HydrophobicContact CD2-CB 3.75Å; L39-A450 HydrophobicContact CG-CB 4.43Å; L39-V465 HydrophobicContact CD2-CG2 4.46Å
40A93.7Very high85.1Confident0 Ų042.3 Ų42.30%029%0.285CS..EExtended strand (participates in β ladder)trans-141.2153.8168.900000109.8L53 L97 N281 N283A40-L53 HydrophobicContact CB-CB 4.35Å; A40-L53 PolarHBondContact N-O 2.78Å; A40-L53 PolarHBondContact O-N 3.16Å; A40-L97 HydrophobicContact CB-CB 3.8Å; A40-L97 WeakPolarHBondContact CB-O 3.44Å; A40-N281 WeakPolarHBondContact CA-O 3.48Å; A40-N283 HydrophobicContact CB-CB 4.09Å
41L92.6Very high85.6Confident1 Ų140.5 Ų40.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-118.8127.6175-60.3-176.2000109.8E50 D51 V52 R282 A450 V451 I463L41-E50 HydrophobicContact CB-CB 4Å; L41-D51 VanDerWaalsContact CA-O 3.32Å; L41-D51 WeakPolarHBondContact CA-O 3.19Å; L41-V52 HydrophobicContact CD2-CB 4.42Å; L41-V52 HydrophobicContact CD2-CG1 4.41Å; L41-V52 HydrophobicContact CD2-CG2 4.12Å; L41-R282 HydrophobicContact CB-CG 4.3Å; L41-R282 PolarHBondContact N-O 3.43Å; L41-A450 HydrophobicContact CD1-CB 3.5Å; L41-A450 VanDerWaalsContact CD1-CB 3.5Å; L41-A450 HydrophobicContact CD2-CB 4.26Å; L41-A450 HydrophobicContact CG-CB 3.91Å; L41-V451 VanDerWaalsContact CD1-O 3.28Å; L41-V451 WeakPolarHBondContact CD1-O 3.15Å; L41-I463 HydrophobicContact CD1-CD1 4.08Å; L41-I463 HydrophobicContact CD2-CD1 3.56Å; L41-I463 HydrophobicContact CG-CD1 4.49Å
42W93.1Very high86.6Confident43 Ų4339.7 Ų39.716%0.16327%0.269CS..EExtended strand (participates in β ladder)trans-160141.1176.1-162.3-91.2000111.5V44 D51 L53 C99 G100 P109 S284 D286W42-V44 HydrophobicContact CB-CG1 4.19Å; W42-V44 HydrophobicContact CG-CG1 4.5Å; W42-V44 PolarHBondContact O-N 3.03Å; W42-D51 PolarHBondContact N-O 2.76Å; W42-D51 VanDerWaalsContact N-O 3.09Å; W42-D51 WeakPolarHBondContact O-CA 3Å; W42-D51 WeakPolarHBondContact O-CB 3.41Å; W42-D51 PolarHBondContact O-N 3.49Å; W42-L53 HydrophobicContact CB-CD1 4.19Å; W42-C99 HydrophobicContact CB-CB 3.44Å; W42-C99 VanDerWaalsContact CB-CB 3.44Å; W42-C99 HydrophobicContact CD2-CB 3.85Å; W42-C99 HydrophobicContact CE3-CB 4.27Å; W42-C99 HydrophobicContact CG-CB 3.46Å; W42-C99 VanDerWaalsContact CG-CB 3.46Å; W42-G100 VanDerWaalsContact CE2-CA 3.49Å; W42-P109 VanDerWaalsContact CD1-CG 3.46Å; W42-S284 WeakPolarHBondContact CZ3-OG 3.27Å; W42-D286 HydrophobicContact CH2-CB 3.68Å; W42-D286 HydrophobicContact CZ3-CB 4.37Å
43D92.3Very high88.1Confident39 Ų3936.4 Ų36.421%0.20924%0.235CC..  trans-71.898.6171.9176.48000109G46 D47 S48 V49D43-G46 WeakPolarHBondContact OD1-CA 3.16Å; D43-G46 PolarHBondContact OD1-N 3.31Å; D43-D47 PolarHBondContact OD1-N 3.34Å; D43-D47 VanDerWaalsContact OD1-N 3.14Å; D43-S48 WeakPolarHBondContact OD2-CA 3.27Å; D43-S48 PolarHBondContact OD2-N 3.38Å; D43-V49 WeakPolarHBondContact CA-O 3.32Å; D43-V49 WeakPolarHBondContact CB-O 3.4Å
44V93.1Very high89.4Confident3 Ų334.7 Ų34.72%0.01822%0.217CC..  trans-99.2-21.9-175.2-64.90000113.2W42 D51 L53 L85 G124 A125W42-V44 HydrophobicContact CB-CG1 4.19Å; W42-V44 HydrophobicContact CG-CG1 4.5Å; W42-V44 PolarHBondContact O-N 3.03Å; V44-D51 HydrophobicContact CG2-CB 3.92Å; V44-D51 WeakPolarHBondContact CG2-OD2 3.29Å; V44-D51 PolarHBondContact N-OD2 3.02Å; V44-L53 HydrophobicContact CG1-CD1 4.21Å; V44-L85 HydrophobicContact CG2-CD1 3.63Å; V44-G124 VanDerWaalsContact CB-O 3.24Å; V44-G124 WeakPolarHBondContact CB-O 3.34Å; V44-A125 VanDerWaalsContact O-CA 3.27Å; V44-A125 WeakPolarHBondContact O-CA 3.4Å; V44-A125 WeakPolarHBondContact O-CB 3.38Å
45D91.1Very high90.7Very high67 Ų6730 Ų3036%0.35819%0.191SC..SBendtrans-100.3-3.7177.773.510.6000114.3D47 D51 L85D45-D47 WeakPolarHBondContact OD1-CB 3.29Å; D45-D47 PolarHBondContact OD1-N 3.25Å; D45-D51 PolarHBondContact N-OD2 3.3Å; D45-L85 HydrophobicContact CB-CD1 4.23Å
46G89Confident91.4Very high57 Ų5725.1 Ų25.159%0.58816%0.16SC*.SBendtrans81.720.2173.200000113.5D43 S48D43-G46 WeakPolarHBondContact OD1-CA 3.16Å; D43-G46 PolarHBondContact OD1-N 3.31Å; G46-S48 VanDerWaalsContact C-N 3.27Å
47D86.5Confident91.8Very high63 Ų6323.3 Ų23.334%0.33715%0.148SC..SBendtrans-85.94.1-179.782.9-4.8000114D43 D45 V49 V80D43-D47 PolarHBondContact OD1-N 3.34Å; D43-D47 VanDerWaalsContact OD1-N 3.14Å; D45-D47 WeakPolarHBondContact OD1-CB 3.29Å; D45-D47 PolarHBondContact OD1-N 3.25Å; D47-V49 VanDerWaalsContact C-N 3.25Å; D47-V49 PolarHBondContact O-N 2.96Å; D47-V49 WeakPolarHBondContact OD1-CA 3.39Å; D47-V49 WeakPolarHBondContact OD1-CB 3.31Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.36Å; D47-V49 PolarHBondContact OD1-N 3.07Å; D47-V80 VanDerWaalsContact OD2-CG2 3.22Å; D47-V80 WeakPolarHBondContact OD2-CG2 2.95Å
48S85.7Confident91.7Very high95 Ų9525 Ų2566%0.66415%0.154SC*.SBendtrans67.319.2-176.6-48.90000114.6D43 G46D43-S48 WeakPolarHBondContact OD2-CA 3.27Å; D43-S48 PolarHBondContact OD2-N 3.38Å; G46-S48 VanDerWaalsContact C-N 3.27Å
49V86.1Confident91.1Very high7 Ų729.4 Ų29.44%0.04217%0.169CC..SBendtrans-119.4134.2171.8-165.50000108.2D43 D47 D51 A79 V80 L454D43-V49 WeakPolarHBondContact CA-O 3.32Å; D43-V49 WeakPolarHBondContact CB-O 3.4Å; D47-V49 VanDerWaalsContact C-N 3.25Å; D47-V49 PolarHBondContact O-N 2.96Å; D47-V49 WeakPolarHBondContact OD1-CA 3.39Å; D47-V49 WeakPolarHBondContact OD1-CB 3.31Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.36Å; D47-V49 PolarHBondContact OD1-N 3.07Å; V49-D51 PolarHBondContact O-N 3.19Å; V49-A79 HydrophobicContact CG1-CB 3.82Å; V49-V80 HydrophobicContact CB-CG2 3.84Å; V49-V80 HydrophobicContact CG1-CG2 4.04Å; V49-V80 HydrophobicContact CG2-CG2 3.45Å; V49-V80 VanDerWaalsContact CG2-CG2 3.45Å; V49-L454 HydrophobicContact CB-CD1 4.2Å; V49-L454 HydrophobicContact CG1-CD1 4.2Å; V49-L454 HydrophobicContact CG2-CD1 3.28Å
50E91.1Very high90.3Very high27 Ų2731.1 Ų31.113%0.12618%0.18CC..PPolyproline II helixtrans-75.7118.5179.3-56.2162.3120.900110.3L41 A79 R282 S452L41-E50 HydrophobicContact CB-CB 4Å; E50-A79 WeakPolarHBondContact O-CB 3.18Å; E50-R282 IonicContact OE1-CZ 3.68Å; E50-R282 IonicContact OE1-NE 3.44Å; E50-R282 PolarHBondContact OE1-NE 3.17Å; E50-R282 IonicContact OE1-NH2 2.8Å; E50-R282 PolarHBondContact OE1-NH2 3.33Å; E50-R282 IonicContact OE2-CZ 2.77Å; E50-R282 IonicContact OE2-NE 2.81Å; E50-R282 PolarHBondContact OE2-NE 2.94Å; E50-R282 IonicContact OE2-NH2 3.3Å; E50-R282 PolarHBondContact OE2-NH2 2.72Å; E50-S452 VanDerWaalsContact CB-OG 3.31Å; E50-S452 WeakPolarHBondContact CB-OG 3.31Å; E50-S452 PolarHBondContact N-OG 3.28Å; E50-S452 WeakPolarHBondContact OE2-CA 3.44Å; E50-S452 PolarHBondContact OE2-OG 3.28Å
51D93.6Very high88.8Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-75.3161176.3-62.2-49.7000112.1L41 W42 V44 D45 V49 V77 C78 A79 L85L41-D51 VanDerWaalsContact CA-O 3.32Å; L41-D51 WeakPolarHBondContact CA-O 3.19Å; W42-D51 PolarHBondContact N-O 2.76Å; W42-D51 VanDerWaalsContact N-O 3.09Å; W42-D51 WeakPolarHBondContact O-CA 3Å; W42-D51 WeakPolarHBondContact O-CB 3.41Å; W42-D51 PolarHBondContact O-N 3.49Å; V44-D51 HydrophobicContact CG2-CB 3.92Å; V44-D51 WeakPolarHBondContact CG2-OD2 3.29Å; V44-D51 PolarHBondContact N-OD2 3.02Å; D45-D51 PolarHBondContact N-OD2 3.3Å; V49-D51 PolarHBondContact O-N 3.19Å; D51-V77 WeakPolarHBondContact CB-O 3.37Å; D51-C78 WeakPolarHBondContact OD1-CA 3.39Å; D51-A79 PolarHBondContact OD1-N 3.25Å; D51-L85 HydrophobicContact CB-CD1 4.5Å
52V94.9Very high87Confident1 Ų140.1 Ų40.11%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-96.6118.6-176.9-169.70000110.1W24 L39 L41 A76 V77 I463 V480W24-V52 HydrophobicContact CH2-CG2 4.35Å; W24-V52 HydrophobicContact CZ2-CG2 4.37Å; L39-V52 HydrophobicContact CD1-CG1 3.6Å; L41-V52 HydrophobicContact CD2-CB 4.42Å; L41-V52 HydrophobicContact CD2-CG1 4.41Å; L41-V52 HydrophobicContact CD2-CG2 4.12Å; V52-A76 CarbonylContact O-C 3.54Å; V52-A76 WeakPolarHBondContact O-CA 3.35Å; V52-V77 HydrophobicContact CB-CB 4.36Å; V52-V77 PolarHBondContact N-O 2.58Å; V52-V77 PolarHBondContact O-N 3.48Å; V52-I463 HydrophobicContact CG1-CG2 4.33Å; V52-I463 HydrophobicContact CG2-CD1 3.65Å; V52-I463 HydrophobicContact CG2-CG1 4.24Å; V52-I463 HydrophobicContact CG2-CG2 4.22Å; V52-V480 HydrophobicContact CG1-CG1 4.34Å
53L96.1Very high85Confident1 Ų144.4 Ų44.41%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-104.7128.2170-63.194.6000110.1L39 A40 W42 V44 V75 A76 W86 L97 C99 C111L39-L53 WeakPolarHBondContact CA-O 3.46Å; A40-L53 HydrophobicContact CB-CB 4.35Å; A40-L53 PolarHBondContact N-O 2.78Å; A40-L53 PolarHBondContact O-N 3.16Å; W42-L53 HydrophobicContact CB-CD1 4.19Å; V44-L53 HydrophobicContact CG1-CD1 4.21Å; L53-V75 CarbonylContact C-O 3.58Å; L53-V75 VanDerWaalsContact CA-O 3.32Å; L53-V75 WeakPolarHBondContact CA-O 3.34Å; L53-A76 HydrophobicContact CD2-CB 4.47Å; L53-A76 HydrophobicContact CG-CB 4.21Å; L53-W86 HydrophobicContact CD2-CH2 3.99Å; L53-W86 HydrophobicContact CD2-CZ2 3.72Å; L53-L97 HydrophobicContact CB-CD1 4.11Å; L53-C99 WeakPolarHBondContact CD2-SG 3.32Å; L53-C111 HydrophobicContact CD2-CB 4.24Å
54L95.4Very high83.2Confident0 Ų048.1 Ų48.10%028%0.281CS..EExtended strand (participates in β ladder)trans-134.7140.4-174.3-155.781.4000112.9L28 P37 A38 L39 V56 A74 V75 L97 V465 Q478 V480L28-L54 HydrophobicContact CD1-CD2 4.16Å; P37-L54 HydrophobicContact CB-CD1 4.16Å; P37-L54 HydrophobicContact CB-CG 4.17Å; P37-L54 HydrophobicContact CG-CD1 3.77Å; P37-L54 HydrophobicContact CG-CD2 4.45Å; P37-L54 HydrophobicContact CG-CG 4.22Å; A38-L54 CarbonylContact O-C 3.55Å; A38-L54 WeakPolarHBondContact O-CA 3.41Å; L39-L54 HydrophobicContact CB-CD1 4.17Å; L39-L54 HydrophobicContact CD1-CD1 3.77Å; L54-V56 HydrophobicContact CB-CG2 4.4Å; L54-V56 HydrophobicContact CD2-CG2 4.12Å; L54-A74 WeakPolarHBondContact O-CA 3.25Å; L54-V75 PolarHBondContact N-O 3.48Å; L54-V75 PolarHBondContact O-N 2.86Å; L54-L97 VanDerWaalsContact C-CD1 3.46Å; L54-V465 HydrophobicContact CD1-CG2 3.92Å; L54-V465 HydrophobicContact CD2-CG1 4.43Å; L54-Q478 HydrophobicContact CD2-CG 4.35Å; L54-Q478 VanDerWaalsContact CD2-OE1 3.29Å; L54-V480 HydrophobicContact CD2-CG2 3.78Å
55G94.7Very high81.3Confident9 Ų952.4 Ų52.49%0.09332%0.316CS..EExtended strand (participates in β ladder)trans-77.3119.5162.400000110.8P37 A38P37-G55 WeakPolarHBondContact CB-O 3.32Å; A38-G55 PolarHBondContact O-N 3.03Å
56V92.9Very high79.6Confident2 Ų255.9 Ų55.91%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-116.7139.9-176.4179.20000110.1L28 L54 E58 S73 V75L28-V56 HydrophobicContact CB-CG1 4.49Å; L28-V56 HydrophobicContact CB-CG2 4.01Å; L54-V56 HydrophobicContact CB-CG2 4.4Å; L54-V56 HydrophobicContact CD2-CG2 4.12Å; V56-E58 HydrophobicContact CG1-CG 4.21Å; V56-S73 PolarHBondContact N-O 3.34Å; V56-S73 PolarHBondContact O-N 3.08Å; V56-V75 HydrophobicContact CB-CG2 4.1Å; V56-V75 HydrophobicContact CG2-CB 4.13Å; V56-V75 HydrophobicContact CG2-CG2 3.65Å
57T90.3Very high77.9Confident39 Ų3959.5 Ų59.524%0.23934%0.342CS..EExtended strand (participates in β ladder)trans-121.3133171.7-57.50000109.4D30 K70 V71 Y72D30-T57 PolarHBondContact N-O 3.41Å; T57-K70 HydrophobicContact CG2-CB 4.22Å; T57-K70 HydrophobicContact CG2-CD 4.14Å; T57-K70 HydrophobicContact CG2-CG 4.32Å; T57-V71 WeakPolarHBondContact CA-O 3.46Å; T57-Y72 HydrophobicContact CG2-CD1 3.9Å; T57-Y72 HydrophobicContact CG2-CE1 3.69Å; T57-Y72 WeakPolarHBondContact OG1-CD1 3.42Å
58E87.6Confident76.8Confident59 Ų5962.8 Ų62.828%0.27635%0.349SS..EExtended strand (participates in β ladder)trans-130.9143.2179.6-80.4166.4-157.300110.2D30 V56 K70 V71 R87D30-E58 WeakPolarHBondContact OD2-CA 3.46Å; V56-E58 HydrophobicContact CG1-CG 4.21Å; E58-K70 CarbonylContact O-C 3.49Å; E58-K70 WeakPolarHBondContact O-CA 3.22Å; E58-V71 PolarHBondContact N-O 3.1Å; E58-V71 PolarHBondContact O-N 3.29Å; E58-R87 VanDerWaalsContact CD-NH1 3.28Å; E58-R87 IonicContact OE1-CZ 2.88Å; E58-R87 VanDerWaalsContact OE1-CZ 3.23Å; E58-R87 IonicContact OE1-NH1 3.44Å; E58-R87 PolarHBondContact OE1-NH1 2.78Å; E58-R87 IonicContact OE1-NH2 3.36Å; E58-R87 PolarHBondContact OE1-NH2 3.16Å; E58-R87 IonicContact OE2-NH1 2.9Å; E58-R87 PolarHBondContact OE2-NH1 2.8Å
59W80.3Confident76.5Confident101 Ų10161.3 Ų61.338%0.38334%0.339SS..EExtended strand (participates in β ladder)trans-84.4136.6169.5-70.2100.7000110.9D30 R68 K70D30-W59 PolarHBondContact OD2-N 3.4Å; W59-R68 HydrophobicContact CE3-CB 3.74Å; W59-R68 HydrophobicContact CZ3-CB 3.98Å; W59-K70 HydrophobicContact CD2-CG 4.14Å; W59-K70 HydrophobicContact CE3-CG 3.86Å; W59-K70 HydrophobicContact CH2-CD 4.38Å; W59-K70 VanDerWaalsContact CH2-CE 3.43Å; W59-K70 HydrophobicContact CH2-CG 4.08Å; W59-K70 HydrophobicContact CZ2-CD 4.41Å; W59-K70 HydrophobicContact CZ2-CG 4.28Å; W59-K70 HydrophobicContact CZ3-CG 3.85Å
60T75.8Confident76.5Confident40 Ų4065.8 Ų65.825%0.24536%0.358CS..  trans-66.9135.9171.355.50000110.7G62 S69 V71T60-G62 PolarHBondContact O-N 2.95Å; T60-S69 WeakPolarHBondContact CG2-OG 3.15Å; T60-S69 PolarHBondContact N-O 3.05Å; T60-S69 PolarHBondContact OG1-N 3.33Å; T60-S69 PolarHBondContact OG1-O 3.32Å; T60-S69 PolarHBondContact OG1-OG 3.33Å; T60-V71 HydrophobicContact CG2-CG2 3.57Å
61N63.2Low76.4Confident164 Ų16466.6 Ų66.688%0.87736%0.364SS*.  trans-71.665.2172.4-70.8-23.2000111.5
62G54.8Low76.4Confident25 Ų2568.8 Ų68.826%0.25837%0.373SS..  trans-77.3135.7169.100000110.2T60 H64T60-G62 PolarHBondContact O-N 2.95Å; G62-H64 PolarHBondContact O-N 2.77Å
63T51.3Low76.5Confident134 Ų13468.8 Ų68.882%0.82237%0.373SS*.SBendtrans-69.7-10.1176.847.80000113.3
64H53.8Low76.5Confident117 Ų11768.8 Ų68.854%0.54237%0.373SS..SBendtrans-121.1132.4175.7-70-80.7000111.5G62 T66 Q67G62-H64 PolarHBondContact O-N 2.77Å; H64-T66 PolarHBondContact O-N 3.01Å; H64-Q67 PolarHBondContact O-N 3.26Å
65A54.1Low76.6Confident93 Ų9368.8 Ų68.877%0.76937%0.373SS*.G310 helixtrans-57.1-22.8179.500000114.1
66T54.5Low76.7Confident139 Ų13968.3 Ų68.385%0.85337%0.368SS*.G310 helixtrans-85.1-3.2177.948.80000114.5H64H64-T66 PolarHBondContact O-N 3.01Å
67Q53.4Low76.8Confident134 Ų13468.3 Ų68.363%0.62637%0.368SS*.G310 helixtrans-117.78.8-178.3-106.2176.3-10.900113.6H64 S69H64-Q67 PolarHBondContact O-N 3.26Å; Q67-S69 PolarHBondContact O-N 2.87Å; Q67-S69 VanDerWaalsContact O-N 3.14Å
68R63.6Low76.9Confident132 Ų13266.7 Ų66.750%0.49836%0.359SS..  trans-70108.9173.6-86.1-174.7175.5164.9-2109.6W59W59-R68 HydrophobicContact CE3-CB 3.74Å; W59-R68 HydrophobicContact CZ3-CB 3.98Å
69S78.2Confident76.9Confident63 Ų6363.9 Ų63.944%0.44135%0.346SS..PPolyproline II helixtrans-100.7154.5169.665.90000110.1T60 Q67T60-S69 WeakPolarHBondContact CG2-OG 3.15Å; T60-S69 PolarHBondContact N-O 3.05Å; T60-S69 PolarHBondContact OG1-N 3.33Å; T60-S69 PolarHBondContact OG1-O 3.32Å; T60-S69 PolarHBondContact OG1-OG 3.33Å; Q67-S69 PolarHBondContact O-N 2.87Å; Q67-S69 VanDerWaalsContact O-N 3.14Å
70K86.6Confident77Confident101 Ų10160.4 Ų60.444%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-90.7133.6174.1-69-178.5177.4-177.80109.2T57 E58 W59 Y72T57-K70 HydrophobicContact CG2-CB 4.22Å; T57-K70 HydrophobicContact CG2-CD 4.14Å; T57-K70 HydrophobicContact CG2-CG 4.32Å; E58-K70 CarbonylContact O-C 3.49Å; E58-K70 WeakPolarHBondContact O-CA 3.22Å; W59-K70 HydrophobicContact CD2-CG 4.14Å; W59-K70 HydrophobicContact CE3-CG 3.86Å; W59-K70 HydrophobicContact CH2-CD 4.38Å; W59-K70 VanDerWaalsContact CH2-CE 3.43Å; W59-K70 HydrophobicContact CH2-CG 4.08Å; W59-K70 HydrophobicContact CZ2-CD 4.41Å; W59-K70 HydrophobicContact CZ2-CG 4.28Å; W59-K70 HydrophobicContact CZ3-CG 3.85Å; K70-Y72 HydrophobicContact CB-CE1 4.12Å; K70-Y72 HydrophobicContact CB-CE2 4.18Å; K70-Y72 HydrophobicContact CD-CE1 4.36Å; K70-Y72 WeakPolarHBondContact CD-OH 3.45Å
71V90.3Very high77.5Confident44 Ų4461.3 Ų61.327%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-103.8124.9170.2-177.30000107.3T57 E58 T60 V89T57-V71 WeakPolarHBondContact CA-O 3.46Å; E58-V71 PolarHBondContact N-O 3.1Å; E58-V71 PolarHBondContact O-N 3.29Å; T60-V71 HydrophobicContact CG2-CG2 3.57Å; V71-V89 HydrophobicContact CG1-CG1 3.9Å
72Y93.6Very high78.7Confident47 Ų4753.6 Ų53.618%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-101.1143175.4-54.4-70.9000109.1T57 K70 L90 E92 P93T57-Y72 HydrophobicContact CG2-CD1 3.9Å; T57-Y72 HydrophobicContact CG2-CE1 3.69Å; T57-Y72 WeakPolarHBondContact OG1-CD1 3.42Å; K70-Y72 HydrophobicContact CB-CE1 4.12Å; K70-Y72 HydrophobicContact CB-CE2 4.18Å; K70-Y72 HydrophobicContact CD-CE1 4.36Å; K70-Y72 WeakPolarHBondContact CD-OH 3.45Å; Y72-L90 PolarHBondContact O-N 3.5Å; Y72-E92 WeakPolarHBondContact CB-O 3.41Å; Y72-E92 VanDerWaalsContact CD2-C 3.49Å; Y72-E92 VanDerWaalsContact CG-C 3.47Å; Y72-P93 HydrophobicContact CD1-CB 4.04Å; Y72-P93 HydrophobicContact CD1-CG 3.94Å; Y72-P93 HydrophobicContact CE1-CB 4.09Å; Y72-P93 HydrophobicContact CE1-CG 3.56Å; Y72-P93 HydrophobicContact CE2-CG 4.3Å; Y72-P93 HydrophobicContact CG-CG 4.45Å
73S95.4Very high80.6Confident1 Ų159.7 Ų59.71%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-148.4151.2177.3-58.30000111.7V56 E88V56-S73 PolarHBondContact N-O 3.34Å; V56-S73 PolarHBondContact O-N 3.08Å; S73-E88 CarbonylContact C-O 3.54Å; S73-E88 WeakPolarHBondContact CA-O 3.28Å; S73-E88 WeakPolarHBondContact CB-O 3.08Å
74A97Very high82.7Confident0 Ų055.6 Ų55.60%029%0.292CS..EExtended strand (participates in β ladder)trans-97.2136.1157.700000108.5L54 W86 R87 E88 L90 V94 L97 I113L54-A74 WeakPolarHBondContact O-CA 3.25Å; A74-W86 HydrophobicContact CB-CH2 4.48Å; A74-W86 HydrophobicContact CB-CZ3 4.1Å; A74-R87 WeakPolarHBondContact O-CA 3.47Å; A74-E88 PolarHBondContact N-O 3.41Å; A74-E88 PolarHBondContact O-N 3.12Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; A74-V94 HydrophobicContact CB-CG2 4.34Å; A74-L97 HydrophobicContact CB-CD2 4.23Å; A74-I113 HydrophobicContact CB-CD1 3.6Å; A74-I113 HydrophobicContact CB-CG1 4.04Å; A74-I113 HydrophobicContact CB-CG2 4.3Å
75V97Very high84.7Confident0 Ų052.2 Ų52.20%028%0.278CS..EExtended strand (participates in β ladder)trans-129.5132.6-177.5-1770000109.1L28 L53 L54 V56 V77 V84 R87L28-V75 HydrophobicContact CD2-CG1 4.5Å; L53-V75 CarbonylContact C-O 3.58Å; L53-V75 VanDerWaalsContact CA-O 3.32Å; L53-V75 WeakPolarHBondContact CA-O 3.34Å; L54-V75 PolarHBondContact N-O 3.48Å; L54-V75 PolarHBondContact O-N 2.86Å; V56-V75 HydrophobicContact CB-CG2 4.1Å; V56-V75 HydrophobicContact CG2-CB 4.13Å; V56-V75 HydrophobicContact CG2-CG2 3.65Å; V75-V77 HydrophobicContact CG1-CG2 3.91Å; V75-V84 HydrophobicContact CG1-CG1 3.82Å; V75-V84 HydrophobicContact CG1-CG2 3.99Å; V75-R87 HydrophobicContact CG2-CB 4.32Å; V75-R87 HydrophobicContact CG2-CG 4.04Å
76A97.1Very high86.8Confident0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-102.9137.1166.500000110.7V52 L53 V84 L85 W86V52-A76 CarbonylContact O-C 3.54Å; V52-A76 WeakPolarHBondContact O-CA 3.35Å; L53-A76 HydrophobicContact CD2-CB 4.47Å; L53-A76 HydrophobicContact CG-CB 4.21Å; A76-V84 CarbonylContact O-C 3.6Å; A76-V84 WeakPolarHBondContact O-CA 3.43Å; A76-L85 HydrophobicContact CB-CB 4.28Å; A76-L85 PolarHBondContact O-N 2.94Å; A76-W86 HydrophobicContact CB-CD2 3.8Å; A76-W86 HydrophobicContact CB-CE3 4.49Å; A76-W86 HydrophobicContact CB-CG 4.17Å; A76-W86 HydrophobicContact CB-CH2 4.27Å; A76-W86 HydrophobicContact CB-CZ2 3.56Å; A76-W86 VanDerWaalsContact CB-NE1 3.29Å; A76-W86 PolarHBondContact N-O 2.99Å; A76-W86 VanDerWaalsContact N-O 3.08Å
77V95.8Very high88.8Confident1 Ų146.1 Ų46.11%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-130.2123.1-176-174.80000109.4W24 L28 D51 V52 V75 A79 G82 R83 V84W24-V77 HydrophobicContact CH2-CG1 3.76Å; W24-V77 HydrophobicContact CZ2-CG1 4.2Å; W24-V77 HydrophobicContact CZ3-CG1 4.23Å; L28-V77 HydrophobicContact CD1-CG2 3.9Å; D51-V77 WeakPolarHBondContact CB-O 3.37Å; V52-V77 HydrophobicContact CB-CB 4.36Å; V52-V77 PolarHBondContact N-O 2.58Å; V52-V77 PolarHBondContact O-N 3.48Å; V75-V77 HydrophobicContact CG1-CG2 3.91Å; V77-A79 PolarHBondContact O-N 2.92Å; V77-G82 VanDerWaalsContact CG1-C 3.44Å; V77-G82 WeakPolarHBondContact CG1-O 3.45Å; V77-R83 WeakPolarHBondContact CA-O 3.28Å; V77-V84 HydrophobicContact CG2-CG2 4.26Å
78C91.9Very high90.8Very high6 Ų642.3 Ų42.34%0.04120%0.201CC..  trans-58.4120.2177.9173.60000110.5D51 V80 S81 G82 R83 L85D51-C78 WeakPolarHBondContact OD1-CA 3.39Å; C78-V80 PolarHBondContact O-N 3.36Å; C78-S81 WeakPolarHBondContact CB-OG 3.12Å; C78-S81 PolarHBondContact O-N 3.18Å; C78-S81 PolarHBondContact SG-OG 3.09Å; C78-G82 WeakPolarHBondContact O-CA 3.3Å; C78-G82 PolarHBondContact O-N 2.86Å; C78-R83 WeakPolarHBondContact CB-O 3.48Å; C78-R83 PolarHBondContact N-O 2.88Å; C78-L85 HydrophobicContact CB-CD1 4.24Å; C78-L85 HydrophobicContact CB-CD2 3.91Å; C78-L85 HydrophobicContact CB-CG 4.01Å
79A86.3Confident92.3Very high0 Ų040.2 Ų40.20%020%0.203CC..THydrogen-bonded Turntrans-68-25.1-177.300000113.2W24 V49 E50 D51 V77W24-A79 PolarHBondContact NE1-O 3.31Å; V49-A79 HydrophobicContact CG1-CB 3.82Å; E50-A79 WeakPolarHBondContact O-CB 3.18Å; D51-A79 PolarHBondContact OD1-N 3.25Å; V77-A79 PolarHBondContact O-N 2.92Å
80V84.1Confident93.1Very high27 Ų2738.2 Ų38.216%0.16419%0.188CC..THydrogen-bonded Turntrans-82.4-29.5-180179.80000113.1K21 L22 D47 V49 C78K21-V80 CarbonylContact C-O 3.53Å; K21-V80 VanDerWaalsContact C-O 3.3Å; K21-V80 HydrophobicContact CB-CG1 4.48Å; L22-V80 HydrophobicContact CD2-CG2 4.31Å; D47-V80 VanDerWaalsContact OD2-CG2 3.22Å; D47-V80 WeakPolarHBondContact OD2-CG2 2.95Å; V49-V80 HydrophobicContact CB-CG2 3.84Å; V49-V80 HydrophobicContact CG1-CG2 4.04Å; V49-V80 HydrophobicContact CG2-CG2 3.45Å; V49-V80 VanDerWaalsContact CG2-CG2 3.45Å; C78-V80 PolarHBondContact O-N 3.36Å
81S85.1Confident93.3Very high60 Ų6041.5 Ų41.542%0.4221%0.21SC..THydrogen-bonded Turntrans-120.8-10.8-172.466.80000114.4C78 R83C78-S81 WeakPolarHBondContact CB-OG 3.12Å; C78-S81 PolarHBondContact O-N 3.18Å; C78-S81 PolarHBondContact SG-OG 3.09Å; S81-R83 PolarHBondContact O-N 2.88Å; S81-R83 VanDerWaalsContact O-N 3.16Å; S81-R83 VanDerWaalsContact OG-CB 3.3Å; S81-R83 WeakPolarHBondContact OG-CB 3.48Å; S81-R83 PolarHBondContact OG-N 3Å
82G89.7Confident93.4Very high1 Ų140.9 Ų40.91%0.0120%0.204CC..  trans66.72.1-168.400000113.7W24 R26 V77 C78W24-G82 VanDerWaalsContact CE2-CA 3.41Å; R26-G82 WeakPolarHBondContact CD-O 3.44Å; R26-G82 PolarHBondContact NE-O 2.82Å; R26-G82 PolarHBondContact NH1-O 2.93Å; R26-G82 VanDerWaalsContact NH1-O 3.16Å; R26-G82 PolarHBondContact NH2-O 3.35Å; V77-G82 VanDerWaalsContact CG1-C 3.44Å; V77-G82 WeakPolarHBondContact CG1-O 3.45Å; C78-G82 WeakPolarHBondContact O-CA 3.3Å; C78-G82 PolarHBondContact O-N 2.86Å
83R93.3Very high93.4Very high153 Ų15341.5 Ų41.558%0.57721%0.214SC*.  trans-71.8135-176.8-174.417963.1-172.4-3.1111.2V77 C78 S81 L85V77-R83 WeakPolarHBondContact CA-O 3.28Å; C78-R83 WeakPolarHBondContact CB-O 3.48Å; C78-R83 PolarHBondContact N-O 2.88Å; S81-R83 PolarHBondContact O-N 2.88Å; S81-R83 VanDerWaalsContact O-N 3.16Å; S81-R83 VanDerWaalsContact OG-CB 3.3Å; S81-R83 WeakPolarHBondContact OG-CB 3.48Å; S81-R83 PolarHBondContact OG-N 3Å; R83-L85 PolarHBondContact O-N 3.47Å
84V95.8Very high93.4Very high48 Ų4842.4 Ų42.429%0.29122%0.219SC..EExtended strand (participates in β ladder)trans-63.5120.6168.9173.90000108.9R26 L28 V75 A76 V77 W86R26-V84 VanDerWaalsContact NH1-N 3.13Å; L28-V84 HydrophobicContact CD2-CG2 4.23Å; V75-V84 HydrophobicContact CG1-CG1 3.82Å; V75-V84 HydrophobicContact CG1-CG2 3.99Å; A76-V84 CarbonylContact O-C 3.6Å; A76-V84 WeakPolarHBondContact O-CA 3.43Å; V77-V84 HydrophobicContact CG2-CG2 4.26Å; V84-W86 WeakPolarHBondContact CG1-O 3.32Å
85L96Very high93.2Very high46 Ų4645.2 Ų45.224%0.24123%0.233CC..EExtended strand (participates in β ladder)trans-80.9-47.2177-65.3176.5000110.4V44 D45 D51 A76 C78 R83V44-L85 HydrophobicContact CG2-CD1 3.63Å; D45-L85 HydrophobicContact CB-CD1 4.23Å; D51-L85 HydrophobicContact CB-CD1 4.5Å; A76-L85 HydrophobicContact CB-CB 4.28Å; A76-L85 PolarHBondContact O-N 2.94Å; C78-L85 HydrophobicContact CB-CD1 4.24Å; C78-L85 HydrophobicContact CB-CD2 3.91Å; C78-L85 HydrophobicContact CB-CG 4.01Å; R83-L85 PolarHBondContact O-N 3.47Å
86W97.3Very high93.1Very high17 Ų1748.3 Ų48.36%0.06425%0.245CC..EExtended strand (participates in β ladder)trans-156.3165175.454.3-98.4000111.3L53 A74 A76 V84 E88 V122 G124L53-W86 HydrophobicContact CD2-CH2 3.99Å; L53-W86 HydrophobicContact CD2-CZ2 3.72Å; A74-W86 HydrophobicContact CB-CH2 4.48Å; A74-W86 HydrophobicContact CB-CZ3 4.1Å; A76-W86 HydrophobicContact CB-CD2 3.8Å; A76-W86 HydrophobicContact CB-CE3 4.49Å; A76-W86 HydrophobicContact CB-CG 4.17Å; A76-W86 HydrophobicContact CB-CH2 4.27Å; A76-W86 HydrophobicContact CB-CZ2 3.56Å; A76-W86 VanDerWaalsContact CB-NE1 3.29Å; A76-W86 PolarHBondContact N-O 2.99Å; A76-W86 VanDerWaalsContact N-O 3.08Å; V84-W86 WeakPolarHBondContact CG1-O 3.32Å; W86-E88 HydrophobicContact CE3-CB 4.39Å; W86-E88 HydrophobicContact CZ3-CB 4.18Å; W86-V122 HydrophobicContact CH2-CG2 4.2Å; W86-V122 HydrophobicContact CZ2-CG2 4.42Å; W86-G124 PolarHBondContact NE1-O 2.95Å
87R96.9Very high93.1Very high87 Ų8748.3 Ų48.333%0.32825%0.245SC..EExtended strand (participates in β ladder)trans-140.2126.4174.6173.2177.9-72.4-117.911.4108.9E58 A74 V75E58-R87 VanDerWaalsContact CD-NH1 3.28Å; E58-R87 IonicContact OE1-CZ 2.88Å; E58-R87 VanDerWaalsContact OE1-CZ 3.23Å; E58-R87 IonicContact OE1-NH1 3.44Å; E58-R87 PolarHBondContact OE1-NH1 2.78Å; E58-R87 IonicContact OE1-NH2 3.36Å; E58-R87 PolarHBondContact OE1-NH2 3.16Å; E58-R87 IonicContact OE2-NH1 2.9Å; E58-R87 PolarHBondContact OE2-NH1 2.8Å; A74-R87 WeakPolarHBondContact O-CA 3.47Å; V75-R87 HydrophobicContact CG2-CB 4.32Å; V75-R87 HydrophobicContact CG2-CG 4.04Å
88E96.6Very high93.1Very high54 Ų5448.6 Ų48.625%0.25225%0.246SC..EExtended strand (participates in β ladder)trans-110.3123.3174.1-177.162.8-167.700109.2S73 A74 W86 L90 I113 M120S73-E88 CarbonylContact C-O 3.54Å; S73-E88 WeakPolarHBondContact CA-O 3.28Å; S73-E88 WeakPolarHBondContact CB-O 3.08Å; A74-E88 PolarHBondContact N-O 3.41Å; A74-E88 PolarHBondContact O-N 3.12Å; W86-E88 HydrophobicContact CE3-CB 4.39Å; W86-E88 HydrophobicContact CZ3-CB 4.18Å; E88-L90 HydrophobicContact CG-CD2 4.31Å; E88-I113 HydrophobicContact CB-CD1 4.4Å; E88-I113 HydrophobicContact CG-CD1 4.4Å; E88-M120 HydrophobicContact CG-SD 4.34Å
89V94.8Very high93.2Very high89 Ų8948.3 Ų48.354%0.53925%0.245SC..EExtended strand (participates in β ladder)trans-86.7137.3-178.9179.90000110V71V71-V89 HydrophobicContact CG1-CG1 3.9Å
90L94.3Very high93.4Very high21 Ų2148.3 Ų48.311%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-127.4155.2-171-58.7165.4000111.1Y72 A74 E88 E92 V94 I113 M120Y72-L90 PolarHBondContact O-N 3.5Å; A74-L90 HydrophobicContact CB-CD1 4.24Å; E88-L90 HydrophobicContact CG-CD2 4.31Å; L90-E92 VanDerWaalsContact C-N 3.33Å; L90-V94 HydrophobicContact CD1-CG2 3.27Å; L90-I113 HydrophobicContact CD1-CG2 3.66Å; L90-I113 HydrophobicContact CD2-CG2 4.27Å; L90-M120 HydrophobicContact CD2-CE 3.9Å
91N91.8Very high93.8Very high169 Ų16947.1 Ų47.190%0.90424%0.237SC*.SBendtrans-85.7-8.2178.8-63.7-30.4000113.2
92E92.4Very high93.9Very high31 Ų3149.7 Ų49.715%0.14524%0.243CC..SBendtrans-146.4160.5-177.365.1179.8175.100110.7Y72 L90 G115 K116 S117 N118Y72-E92 WeakPolarHBondContact CB-O 3.41Å; Y72-E92 VanDerWaalsContact CD2-C 3.49Å; Y72-E92 VanDerWaalsContact CG-C 3.47Å; L90-E92 VanDerWaalsContact C-N 3.33Å; E92-G115 VanDerWaalsContact OE1-CA 3.27Å; E92-G115 WeakPolarHBondContact OE1-CA 2.94Å; E92-K116 VanDerWaalsContact CD-N 3.28Å; E92-K116 PolarHBondContact OE1-N 2.85Å; E92-K116 VanDerWaalsContact OE1-N 3.15Å; E92-K116 PolarHBondContact OE2-N 2.86Å; E92-S117 PolarHBondContact OE1-N 2.65Å; E92-S117 PolarHBondContact OE1-OG 2.85Å; E92-S117 WeakPolarHBondContact OE2-CB 3.45Å; E92-S117 PolarHBondContact OE2-N 3.18Å; E92-S117 PolarHBondContact OE2-OG 2.74Å; E92-N118 PolarHBondContact OE1-N 3.37Å
93P92.9Very high93.8Very high61 Ų6150 Ų5040%0.39624%0.244SC..  trans-58.5143.2175.1-17.827.3000112.2Y72 M95Y72-P93 HydrophobicContact CD1-CB 4.04Å; Y72-P93 HydrophobicContact CD1-CG 3.94Å; Y72-P93 HydrophobicContact CE1-CB 4.09Å; Y72-P93 HydrophobicContact CE1-CG 3.56Å; Y72-P93 HydrophobicContact CE2-CG 4.3Å; Y72-P93 HydrophobicContact CG-CG 4.45Å; P93-M95 PolarHBondContact O-N 3.03Å
94V95.1Very high93.3Very high19 Ų1948.3 Ų48.312%0.11525%0.246CC..  trans-74.9119.6170.3-172.50000108.7A38 A74 L90 Y96 L97 I113A38-V94 HydrophobicContact CB-CB 4.24Å; A38-V94 HydrophobicContact CB-CG1 3.65Å; A74-V94 HydrophobicContact CB-CG2 4.34Å; L90-V94 HydrophobicContact CD1-CG2 3.27Å; V94-Y96 WeakPolarHBondContact CG1-O 3.32Å; V94-L97 HydrophobicContact CG1-CD1 4.3Å; V94-L97 HydrophobicContact CG1-CD2 3.89Å; V94-L97 HydrophobicContact CG1-CG 3.71Å; V94-I113 HydrophobicContact CG1-CG2 4.11Å; V94-I113 HydrophobicContact CG2-CG2 4.12Å
95M93.9Very high92.5Very high59 Ų5950.5 Ų50.529%0.29126%0.26SS..  trans-87.6-45.1175.3-66.7-178.160.100111.3P93 I114 K116P93-M95 PolarHBondContact O-N 3.03Å; M95-I114 WeakPolarHBondContact CA-O 3.42Å; M95-I114 WeakPolarHBondContact CB-O 3.38Å; M95-I114 PolarHBondContact N-O 3.16Å; M95-K116 HydrophobicContact CE-CD 4.36Å; M95-K116 VanDerWaalsContact SD-CA 3.57Å; M95-K116 HydrophobicContact SD-CB 3.88Å; M95-K116 HydrophobicContact SD-CD 3.7Å; M95-K116 HydrophobicContact SD-CG 4.44Å
96Y95Very high91.8Very high65 Ų6550.5 Ų50.526%0.25526%0.259SS..EExtended strand (participates in β ladder)trans-139.3148.8179.9-47.9-75000111.3V94 I114 E139 S140 Q141V94-Y96 WeakPolarHBondContact CG1-O 3.32Å; Y96-I114 HydrophobicContact CD2-CB 4.25Å; Y96-I114 HydrophobicContact CD2-CG2 4.12Å; Y96-I114 PolarHBondContact N-O 3.4Å; Y96-I114 VanDerWaalsContact N-O 3.08Å; Y96-I114 PolarHBondContact O-N 3.22Å; Y96-E139 PolarHBondContact OH-O 3.18Å; Y96-S140 WeakPolarHBondContact CD2-O 3.44Å; Y96-S140 WeakPolarHBondContact CE2-O 3.32Å; Y96-Q141 HydrophobicContact CD1-CG 3.46Å; Y96-Q141 VanDerWaalsContact CD1-CG 3.46Å; Y96-Q141 HydrophobicContact CD2-CG 4.29Å; Y96-Q141 HydrophobicContact CE1-CG 3.93Å; Y96-Q141 HydrophobicContact CG-CG 3.65Å
97L96.2Very high91Very high1 Ų155.6 Ų55.61%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-125.1136.1169.8-72.7167.7000107.7A38 A40 L53 L54 A74 V94 L112 I113 N283A38-L97 HydrophobicContact CB-CD1 4.11Å; A38-L97 HydrophobicContact CB-CG 4.02Å; A40-L97 HydrophobicContact CB-CB 3.8Å; A40-L97 WeakPolarHBondContact CB-O 3.44Å; L53-L97 HydrophobicContact CB-CD1 4.11Å; L54-L97 VanDerWaalsContact C-CD1 3.46Å; A74-L97 HydrophobicContact CB-CD2 4.23Å; V94-L97 HydrophobicContact CG1-CD1 4.3Å; V94-L97 HydrophobicContact CG1-CD2 3.89Å; V94-L97 HydrophobicContact CG1-CG 3.71Å; L97-L112 WeakPolarHBondContact CA-O 3.2Å; L97-I113 HydrophobicContact CD2-CB 4.29Å; L97-I113 HydrophobicContact CD2-CG1 3.85Å; L97-I113 HydrophobicContact CD2-CG2 4.32Å; L97-N283 VanDerWaalsContact O-CB 3.25Å; L97-N283 WeakPolarHBondContact O-CB 3.39Å
98Q95.2Very high90.5Very high6 Ų652.9 Ų52.93%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-145.8145.2175.5-66.8175.7-7800109.9C111 L112 A142 N283 L285Q98-C111 CarbonylContact O-C 3.57Å; Q98-C111 VanDerWaalsContact O-CA 3.28Å; Q98-C111 WeakPolarHBondContact O-CA 3.3Å; Q98-L112 PolarHBondContact N-O 2.8Å; Q98-L112 VanDerWaalsContact N-O 3.11Å; Q98-L112 PolarHBondContact O-N 3.16Å; Q98-A142 PolarHBondContact NE2-O 3.01Å; Q98-A142 PolarHBondContact OE1-O 3.03Å; Q98-N283 WeakPolarHBondContact CA-O 3.42Å; Q98-N283 VanDerWaalsContact CB-O 3.3Å; Q98-N283 WeakPolarHBondContact CB-O 3.39Å; Q98-N283 HydrophobicContact CG-CB 4.05Å; Q98-L285 HydrophobicContact CB-CD1 3.3Å; Q98-L285 HydrophobicContact CB-CG 3.66Å; Q98-L285 HydrophobicContact CG-CD1 4.24Å; Q98-L285 HydrophobicContact CG-CG 4.35Å
99C94.3Very high90.2Very high1 Ų151.1 Ų51.11%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-138.4161.1-177-680000111.9W42 L53 C111 N283 S284 L285W42-C99 HydrophobicContact CB-CB 3.44Å; W42-C99 VanDerWaalsContact CB-CB 3.44Å; W42-C99 HydrophobicContact CD2-CB 3.85Å; W42-C99 HydrophobicContact CE3-CB 4.27Å; W42-C99 HydrophobicContact CG-CB 3.46Å; W42-C99 VanDerWaalsContact CG-CB 3.46Å; L53-C99 WeakPolarHBondContact CD2-SG 3.32Å; C99-C111 HydrophobicContact CB-CB 4.13Å; C99-C111 WeakPolarHBondContact CB-SG 3.15Å; C99-C111 WeakPolarHBondContact SG-CB 3.22Å; C99-C111 CovalentContact SG-SG 2.04Å; C99-C111 PolarHBondContact SG-SG 2.85Å; C99-N283 PolarHBondContact N-O 2.77Å; C99-S284 CarbonylContact O-C 3.57Å; C99-S284 WeakPolarHBondContact O-CA 3.33Å; C99-L285 PolarHBondContact O-N 2.8Å
100G91.8Very high90.2Very high0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans110.63175.800000114.6W42 Q102 V110 L285W42-G100 VanDerWaalsContact CE2-CA 3.49Å; G100-Q102 PolarHBondContact O-N 3.16Å; G100-V110 PolarHBondContact N-O 3.07Å; G100-L285 CarbonylContact C-O 3.58Å
101L91.4Very high90.3Very high1 Ų146 Ų461%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-63.9124.3169.8179.266.8000108.9L103 V110 L112 L144L101-L103 HydrophobicContact CD2-CD2 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.33Å; L101-V110 HydrophobicContact CB-CB 4.12Å; L101-V110 HydrophobicContact CD2-CG1 4.3Å; L101-V110 PolarHBondContact N-O 3.25Å; L101-V110 VanDerWaalsContact O-CB 3.28Å; L101-V110 WeakPolarHBondContact O-CB 3.34Å; L101-V110 PolarHBondContact O-N 2.83Å; L101-L112 HydrophobicContact CD2-CD2 4.33Å; L101-L144 HydrophobicContact CD1-CD1 3.86Å
102Q87.9Confident90.6Very high115 Ų11537.9 Ų37.954%0.53721%0.208SC..  trans-94.8124.6178.7-69.3-75.5-14.800109.2G100G100-Q102 PolarHBondContact O-N 3.16Å
103L87.1Confident90.8Very high7 Ų736.7 Ų36.74%0.03720%0.203CC..  trans-112.6136.8172.4-62.8-173.6000109.5L101 T105 Q106 V110 L130 V153 G176L101-L103 HydrophobicContact CD2-CD2 4.29Å; L101-L103 HydrophobicContact CG-CD2 4.33Å; L103-T105 PolarHBondContact O-N 3.24Å; L103-Q106 HydrophobicContact CB-CB 4.19Å; L103-Q106 HydrophobicContact CB-CG 4.13Å; L103-Q106 HydrophobicContact CD1-CG 4.26Å; L103-Q106 PolarHBondContact O-N 3.23Å; L103-Q106 VanDerWaalsContact O-O 3.13Å; L103-V110 HydrophobicContact CB-CG2 4.34Å; L103-V110 HydrophobicContact CD1-CG2 3.69Å; L103-V110 HydrophobicContact CG-CG2 3.7Å; L103-L130 HydrophobicContact CD1-CD1 4.02Å; L103-V153 HydrophobicContact CD2-CG1 3.67Å; L103-G176 WeakPolarHBondContact CD2-O 3.2Å
104N81.9Confident91Very high117 Ų11733.8 Ų33.863%0.62618%0.184SC*.THydrogen-bonded Turntrans-57.5-24.6178.8-68-35.4000113.5
105T80.5Confident91Very high95 Ų9533 Ų3358%0.58318%0.18SC*.THydrogen-bonded Turntrans-92.8-4.8-178.459.70000114L103L103-T105 PolarHBondContact O-N 3.24Å
106Q80.8Confident91Very high46 Ų4633.4 Ų33.422%0.21518%0.18CC..  trans-120.2125.8-175.7-64.6-60.7-52.400110.7L103 S108 V110 N123 L130L103-Q106 HydrophobicContact CB-CB 4.19Å; L103-Q106 HydrophobicContact CB-CG 4.13Å; L103-Q106 HydrophobicContact CD1-CG 4.26Å; L103-Q106 PolarHBondContact O-N 3.23Å; L103-Q106 VanDerWaalsContact O-O 3.13Å; Q106-S108 VanDerWaalsContact C-N 3.32Å; Q106-V110 HydrophobicContact CB-CG2 4.36Å; Q106-V110 HydrophobicContact CG-CG2 4.22Å; Q106-N123 PolarHBondContact OE1-ND2 3.44Å; Q106-L130 HydrophobicContact CG-CD1 3.92Å; Q106-L130 HydrophobicContact CG-CD2 4.34Å
107P80.9Confident90.9Very high124 Ų12433.1 Ų33.181%0.80519%0.188SC*.SBendtrans-74.9-26.7174.230.4-33.9000112.1
108S85.3Confident90.9Very high29 Ų2935 Ų3520%0.20320%0.198CC..SBendtrans-96.2150.8178.5-56.90000110.6Q106Q106-S108 VanDerWaalsContact C-N 3.32Å
109P89.9Confident90.9Very high18 Ų1834.7 Ų34.712%0.11720%0.197CC..PPolyproline II helixtrans-58.7148.2175.526.6-36.4000111.3W42 G124W42-P109 VanDerWaalsContact CD1-CG 3.46Å; P109-G124 VanDerWaalsContact O-CA 3.27Å; P109-G124 WeakPolarHBondContact O-CA 3.42Å; P109-G124 PolarHBondContact O-N 3.23Å
110V94.9Very high91.1Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-96.3137.9175.91760000110.1G100 L101 L103 Q106 A121 L130G100-V110 PolarHBondContact N-O 3.07Å; L101-V110 HydrophobicContact CB-CB 4.12Å; L101-V110 HydrophobicContact CD2-CG1 4.3Å; L101-V110 PolarHBondContact N-O 3.25Å; L101-V110 VanDerWaalsContact O-CB 3.28Å; L101-V110 WeakPolarHBondContact O-CB 3.34Å; L101-V110 PolarHBondContact O-N 2.83Å; L103-V110 HydrophobicContact CB-CG2 4.34Å; L103-V110 HydrophobicContact CD1-CG2 3.69Å; L103-V110 HydrophobicContact CG-CG2 3.7Å; Q106-V110 HydrophobicContact CB-CG2 4.36Å; Q106-V110 HydrophobicContact CG-CG2 4.22Å; V110-A121 HydrophobicContact CG1-CB 3.78Å; V110-L130 HydrophobicContact CB-CD1 4.37Å; V110-L130 HydrophobicContact CG1-CD1 3.97Å; V110-L130 HydrophobicContact CG2-CD1 3.52Å
111C96.8Very high91.4Very high1 Ų135.4 Ų35.41%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-110.8139.4174.5-66.70000110.5L53 Q98 C99 A121 V122L53-C111 HydrophobicContact CD2-CB 4.24Å; Q98-C111 CarbonylContact O-C 3.57Å; Q98-C111 VanDerWaalsContact O-CA 3.28Å; Q98-C111 WeakPolarHBondContact O-CA 3.3Å; C99-C111 HydrophobicContact CB-CB 4.13Å; C99-C111 WeakPolarHBondContact CB-SG 3.15Å; C99-C111 WeakPolarHBondContact SG-CB 3.22Å; C99-C111 CovalentContact SG-SG 2.04Å; C99-C111 PolarHBondContact SG-SG 2.85Å; C111-A121 CarbonylContact O-C 3.57Å; C111-A121 WeakPolarHBondContact O-CA 3.37Å; C111-V122 HydrophobicContact CB-CG2 3.92Å; C111-V122 PolarHBondContact N-O 2.88Å; C111-V122 PolarHBondContact O-N 3.2Å
112L97.5Very high91.6Very high0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-98.3128172.7-56.5-170.7000109.8L97 Q98 L101 I114 L119 M120 A121 W131 A142 L156 L285L97-L112 WeakPolarHBondContact CA-O 3.2Å; Q98-L112 PolarHBondContact N-O 2.8Å; Q98-L112 VanDerWaalsContact N-O 3.11Å; Q98-L112 PolarHBondContact O-N 3.16Å; L101-L112 HydrophobicContact CD2-CD2 4.33Å; L112-I114 HydrophobicContact CB-CG1 4.37Å; L112-L119 HydrophobicContact CB-CD1 4.23Å; L112-L119 HydrophobicContact CD1-CD1 4.28Å; L112-M120 CarbonylContact C-O 3.56Å; L112-M120 WeakPolarHBondContact CA-O 3.17Å; L112-A121 HydrophobicContact CD2-CB 3.81Å; L112-W131 HydrophobicContact CD2-CH2 3.89Å; L112-W131 HydrophobicContact CD2-CZ2 4.06Å; L112-A142 HydrophobicContact CD1-CB 3.87Å; L112-L156 HydrophobicContact CD1-CD1 3.61Å; L112-L156 HydrophobicContact CD1-CD2 4.23Å; L112-L285 HydrophobicContact CB-CD1 4.26Å; L112-L285 HydrophobicContact CD1-CD1 3.34Å; L112-L285 HydrophobicContact CG-CD1 3.66Å
113I97.8Very high92Very high5 Ų530.5 Ų30.53%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-105.6116.6169.2-55.5170.6000106.7A74 E88 L90 V94 L97 M120 V122A74-I113 HydrophobicContact CB-CD1 3.6Å; A74-I113 HydrophobicContact CB-CG1 4.04Å; A74-I113 HydrophobicContact CB-CG2 4.3Å; E88-I113 HydrophobicContact CB-CD1 4.4Å; E88-I113 HydrophobicContact CG-CD1 4.4Å; L90-I113 HydrophobicContact CD1-CG2 3.66Å; L90-I113 HydrophobicContact CD2-CG2 4.27Å; V94-I113 HydrophobicContact CG1-CG2 4.11Å; V94-I113 HydrophobicContact CG2-CG2 4.12Å; L97-I113 HydrophobicContact CD2-CB 4.29Å; L97-I113 HydrophobicContact CD2-CG1 3.85Å; L97-I113 HydrophobicContact CD2-CG2 4.32Å; I113-M120 HydrophobicContact CB-CB 4.39Å; I113-M120 PolarHBondContact N-O 2.78Å; I113-M120 PolarHBondContact O-N 3.31Å; I113-V122 HydrophobicContact CD1-CG1 3.73Å; I113-V122 HydrophobicContact CD1-CG2 4.07Å; I113-V122 HydrophobicContact CG1-CG2 4.34Å
114I97.1Very high92.4Very high0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-113.3113.1-175-43.7-169.8000108.5M95 Y96 L112 L119 I138 A142 L158M95-I114 WeakPolarHBondContact CA-O 3.42Å; M95-I114 WeakPolarHBondContact CB-O 3.38Å; M95-I114 PolarHBondContact N-O 3.16Å; Y96-I114 HydrophobicContact CD2-CB 4.25Å; Y96-I114 HydrophobicContact CD2-CG2 4.12Å; Y96-I114 PolarHBondContact N-O 3.4Å; Y96-I114 VanDerWaalsContact N-O 3.08Å; Y96-I114 PolarHBondContact O-N 3.22Å; L112-I114 HydrophobicContact CB-CG1 4.37Å; I114-L119 HydrophobicContact CB-CD1 4.47Å; I114-L119 HydrophobicContact CD1-CD1 4.1Å; I114-L119 HydrophobicContact CG1-CD1 3.69Å; I114-I138 HydrophobicContact CG2-CB 4.41Å; I114-I138 HydrophobicContact CG2-CD1 3.83Å; I114-I138 HydrophobicContact CG2-CG2 3.73Å; I114-A142 HydrophobicContact CD1-CB 4.08Å; I114-L158 HydrophobicContact CD1-CD2 4.36Å; I114-L158 HydrophobicContact CG2-CD2 4.38Å
115G95.5Very high93Very high4 Ų426.1 Ų26.14%0.04116%0.158CC..  trans-102-169.9169.600000111.5E92 N118 I138E92-G115 VanDerWaalsContact OE1-CA 3.27Å; E92-G115 WeakPolarHBondContact OE1-CA 2.94Å; G115-N118 PolarHBondContact N-O 2.86Å; G115-I138 WeakPolarHBondContact O-CD1 3.45Å
116K93.4Very high93.7Very high66 Ų6624.8 Ų24.829%0.28715%0.15SC..SBendtrans-71.6-34.1179.5-171.263.6178.1-179.70112.4E92 M95 N137 I138 E139E92-K116 VanDerWaalsContact CD-N 3.28Å; E92-K116 PolarHBondContact OE1-N 2.85Å; E92-K116 VanDerWaalsContact OE1-N 3.15Å; E92-K116 PolarHBondContact OE2-N 2.86Å; M95-K116 HydrophobicContact CE-CD 4.36Å; M95-K116 VanDerWaalsContact SD-CA 3.57Å; M95-K116 HydrophobicContact SD-CB 3.88Å; M95-K116 HydrophobicContact SD-CD 3.7Å; M95-K116 HydrophobicContact SD-CG 4.44Å; K116-N137 CarbonylContact O-C 3.57Å; K116-N137 VanDerWaalsContact O-CA 3.3Å; K116-N137 WeakPolarHBondContact O-CA 3.11Å; K116-N137 PolarHBondContact O-N 3.25Å; K116-I138 PolarHBondContact NZ-O 3.06Å; K116-I138 PolarHBondContact O-N 3.14Å; K116-E139 IonicContact NZ-OE1 3.9Å; K116-E139 PolarHBondContact NZ-OE1 2.84Å; K116-E139 IonicContact NZ-OE2 3.55Å; K116-E139 PolarHBondContact NZ-OE2 3.39Å
117S93.4Very high94.4Very high60 Ų6022.7 Ų22.742%0.4214%0.141SC..SBendtrans-123.2-4.2-171.763.20000114E92 A134 L135E92-S117 PolarHBondContact OE1-N 2.65Å; E92-S117 PolarHBondContact OE1-OG 2.85Å; E92-S117 WeakPolarHBondContact OE2-CB 3.45Å; E92-S117 PolarHBondContact OE2-N 3.18Å; E92-S117 PolarHBondContact OE2-OG 2.74Å; S117-A134 WeakPolarHBondContact O-CA 3.35Å; S117-L135 CarbonylContact C-O 3.56Å; S117-L135 VanDerWaalsContact C-O 3.28Å; S117-L135 VanDerWaalsContact CA-O 3.22Å; S117-L135 WeakPolarHBondContact CA-O 3.46Å; S117-L135 PolarHBondContact O-N 2.93Å
118N94.8Very high95.1Very high40 Ų4025.9 Ų25.921%0.21414%0.137CC..EExtended strand (participates in β ladder)trans-140.5135.3-177.6-171.156.3000112.4E92 G115 S132 V133E92-N118 PolarHBondContact OE1-N 3.37Å; G115-N118 PolarHBondContact N-O 2.86Å; N118-S132 VanDerWaalsContact CG-OG 3.28Å; N118-S132 PolarHBondContact ND2-OG 2.83Å; N118-S132 PolarHBondContact OD1-OG 3.05Å; N118-V133 PolarHBondContact OD1-O 2.85Å
119L96.9Very high95.6Very high0 Ų030.7 Ų30.70%015%0.154CC..EExtended strand (participates in β ladder)trans-107.8124.7165.5172.566.9000108.1L112 I114 W131 S132 V133 L135 I138 L158 I174L112-L119 HydrophobicContact CB-CD1 4.23Å; L112-L119 HydrophobicContact CD1-CD1 4.28Å; I114-L119 HydrophobicContact CB-CD1 4.47Å; I114-L119 HydrophobicContact CD1-CD1 4.1Å; I114-L119 HydrophobicContact CG1-CD1 3.69Å; L119-W131 HydrophobicContact CD2-CH2 4.06Å; L119-W131 HydrophobicContact CD2-CZ3 4.01Å; L119-W131 HydrophobicContact CG-CH2 4.22Å; L119-W131 HydrophobicContact CG-CZ3 3.91Å; L119-S132 CarbonylContact O-C 3.48Å; L119-S132 WeakPolarHBondContact O-CA 3.4Å; L119-S132 PolarHBondContact O-OG 2.99Å; L119-V133 HydrophobicContact CB-CG1 3.83Å; L119-V133 HydrophobicContact CD2-CG1 4.07Å; L119-V133 HydrophobicContact CG-CG1 4.27Å; L119-V133 PolarHBondContact N-O 2.89Å; L119-V133 PolarHBondContact O-N 3.48Å; L119-L135 HydrophobicContact CB-CD1 4.04Å; L119-L135 HydrophobicContact CD2-CD1 4.35Å; L119-I138 HydrophobicContact CB-CD1 4.17Å; L119-L158 HydrophobicContact CD1-CD2 4.38Å; L119-L158 HydrophobicContact CD2-CD1 3.81Å; L119-L158 HydrophobicContact CD2-CD2 4.16Å; L119-I174 HydrophobicContact CD2-CG1 4.4Å; L119-I174 HydrophobicContact CD2-CG2 4.2Å
120M97.4Very high95.9Very high15 Ų1532.6 Ų32.67%0.07416%0.163CC..EExtended strand (participates in β ladder)trans-125.8134-178.9-173.3-174.9-57.700110.7E88 L90 L112 I113 V122 K129E88-M120 HydrophobicContact CG-SD 4.34Å; L90-M120 HydrophobicContact CD2-CE 3.9Å; L112-M120 CarbonylContact C-O 3.56Å; L112-M120 WeakPolarHBondContact CA-O 3.17Å; I113-M120 HydrophobicContact CB-CB 4.39Å; I113-M120 PolarHBondContact N-O 2.78Å; I113-M120 PolarHBondContact O-N 3.31Å; M120-V122 HydrophobicContact CG-CG1 4.08Å; M120-V122 HydrophobicContact SD-CG1 3.87Å; M120-K129 HydrophobicContact CE-CD 4.24Å; M120-K129 HydrophobicContact CG-CD 4.24Å; M120-K129 HydrophobicContact CG-CG 3.98Å; M120-K129 HydrophobicContact SD-CB 4.27Å; M120-K129 HydrophobicContact SD-CD 4.05Å; M120-K129 HydrophobicContact SD-CG 4.04Å
121A97.4Very high96Very high0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-99.9133.416700000110.5V110 C111 L112 L130 W131V110-A121 HydrophobicContact CG1-CB 3.78Å; C111-A121 CarbonylContact O-C 3.57Å; C111-A121 WeakPolarHBondContact O-CA 3.37Å; L112-A121 HydrophobicContact CD2-CB 3.81Å; A121-L130 HydrophobicContact CB-CB 4.46Å; A121-L130 PolarHBondContact O-N 2.86Å; A121-W131 HydrophobicContact CB-CD2 3.45Å; A121-W131 VanDerWaalsContact CB-CD2 3.45Å; A121-W131 HydrophobicContact CB-CE3 3.88Å; A121-W131 HydrophobicContact CB-CG 4Å; A121-W131 HydrophobicContact CB-CH2 3.89Å; A121-W131 HydrophobicContact CB-CZ2 3.47Å; A121-W131 VanDerWaalsContact CB-CZ2 3.47Å; A121-W131 HydrophobicContact CB-CZ3 4.09Å; A121-W131 PolarHBondContact N-O 2.61Å; A121-W131 PolarHBondContact O-N 3.24Å
122V97.3Very high96Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-125.9148.5177.7-58.60000110.4W86 C111 I113 M120 G124 R128W86-V122 HydrophobicContact CH2-CG2 4.2Å; W86-V122 HydrophobicContact CZ2-CG2 4.42Å; C111-V122 HydrophobicContact CB-CG2 3.92Å; C111-V122 PolarHBondContact N-O 2.88Å; C111-V122 PolarHBondContact O-N 3.2Å; I113-V122 HydrophobicContact CD1-CG1 3.73Å; I113-V122 HydrophobicContact CD1-CG2 4.07Å; I113-V122 HydrophobicContact CG1-CG2 4.34Å; M120-V122 HydrophobicContact CG-CG1 4.08Å; M120-V122 HydrophobicContact SD-CG1 3.87Å; V122-G124 PolarHBondContact O-N 2.85Å; V122-R128 CarbonylContact C-O 3.54Å; V122-R128 WeakPolarHBondContact CA-O 3.41Å
123N96.3Very high96Very high14 Ų1437 Ų378%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-64.2122168.2173-74.2000108.7Q106 A125 T126 G127 R128 L130Q106-N123 PolarHBondContact OE1-ND2 3.44Å; N123-A125 VanDerWaalsContact C-N 3.3Å; N123-A125 PolarHBondContact O-N 3.37Å; N123-A125 PolarHBondContact OD1-N 3.46Å; N123-A125 VanDerWaalsContact OD1-N 3.14Å; N123-T126 WeakPolarHBondContact CB-OG1 3.4Å; N123-T126 VanDerWaalsContact CG-OG1 3.31Å; N123-T126 PolarHBondContact O-N 2.97Å; N123-T126 PolarHBondContact OD1-N 2.95Å; N123-T126 VanDerWaalsContact OD1-N 3.08Å; N123-T126 PolarHBondContact OD1-OG1 2.87Å; N123-G127 WeakPolarHBondContact O-CA 3.33Å; N123-G127 PolarHBondContact O-N 3.01Å; N123-R128 PolarHBondContact N-O 2.99Å; N123-L130 HydrophobicContact CB-CD1 4.46Å; N123-L130 HydrophobicContact CB-CD2 4.26Å; N123-L130 HydrophobicContact CB-CG 4.44Å
124G94.6Very high95.8Very high0 Ų040.6 Ų40.60%022%0.22CC..THydrogen-bonded Turntrans-58.8-37.5-172.600000113.6V44 W86 P109 V122V44-G124 VanDerWaalsContact CB-O 3.24Å; V44-G124 WeakPolarHBondContact CB-O 3.34Å; W86-G124 PolarHBondContact NE1-O 2.95Å; P109-G124 VanDerWaalsContact O-CA 3.27Å; P109-G124 WeakPolarHBondContact O-CA 3.42Å; P109-G124 PolarHBondContact O-N 3.23Å; V122-G124 PolarHBondContact O-N 2.85Å
125A94.5Very high95.4Very high31 Ų3141.1 Ų41.126%0.25622%0.222SC..THydrogen-bonded Turntrans-74.9-29.8-177.300000113.5V44 N123V44-A125 VanDerWaalsContact O-CA 3.27Å; V44-A125 WeakPolarHBondContact O-CA 3.4Å; V44-A125 WeakPolarHBondContact O-CB 3.38Å; N123-A125 VanDerWaalsContact C-N 3.3Å; N123-A125 PolarHBondContact O-N 3.37Å; N123-A125 PolarHBondContact OD1-N 3.46Å; N123-A125 VanDerWaalsContact OD1-N 3.14Å
126T95.3Very high94.7Very high68 Ų6849.3 Ų49.342%0.41725%0.252SS..THydrogen-bonded Turntrans-119.1-13.5-167.661.80000114.5N123 R128N123-T126 WeakPolarHBondContact CB-OG1 3.4Å; N123-T126 VanDerWaalsContact CG-OG1 3.31Å; N123-T126 PolarHBondContact O-N 2.97Å; N123-T126 PolarHBondContact OD1-N 2.95Å; N123-T126 VanDerWaalsContact OD1-N 3.08Å; N123-T126 PolarHBondContact OD1-OG1 2.87Å; T126-R128 PolarHBondContact O-N 3.36Å; T126-R128 PolarHBondContact OG1-N 2.83Å
127G95.7Very high94.5Very high2 Ų248.5 Ų48.52%0.02125%0.251CS..  trans70.21.4-172.700000114N123 K129N123-G127 WeakPolarHBondContact O-CA 3.33Å; N123-G127 PolarHBondContact O-N 3.01Å; G127-K129 PolarHBondContact O-N 2.86Å
128R95.7Very high94.5Very high191 Ų19145.7 Ų45.772%0.72123%0.231SC*.  trans-67.9126.5-177.3-70.7-177.3177.4-164.30.9110.7V122 N123 T126 L130V122-R128 CarbonylContact C-O 3.54Å; V122-R128 WeakPolarHBondContact CA-O 3.41Å; N123-R128 PolarHBondContact N-O 2.99Å; T126-R128 PolarHBondContact O-N 3.36Å; T126-R128 PolarHBondContact OG1-N 2.83Å; R128-L130 PolarHBondContact O-N 3.44Å
129K96.3Very high94.3Very high129 Ų12946 Ų4656%0.56123%0.231SC*.EExtended strand (participates in β ladder)trans-56.5127.5173.7-176.7176.167.6-170.50112M120 G127M120-K129 HydrophobicContact CE-CD 4.24Å; M120-K129 HydrophobicContact CG-CD 4.24Å; M120-K129 HydrophobicContact CG-CG 3.98Å; M120-K129 HydrophobicContact SD-CB 4.27Å; M120-K129 HydrophobicContact SD-CD 4.05Å; M120-K129 HydrophobicContact SD-CG 4.04Å; G127-K129 PolarHBondContact O-N 2.86Å
130L96.3Very high94.2Very high58 Ų5846.2 Ų46.230%0.30423%0.233SC..EExtended strand (participates in β ladder)trans-97.5-52.7174.6-60.2176.6000110.4L103 Q106 V110 A121 N123 R128L103-L130 HydrophobicContact CD1-CD1 4.02Å; Q106-L130 HydrophobicContact CG-CD1 3.92Å; Q106-L130 HydrophobicContact CG-CD2 4.34Å; V110-L130 HydrophobicContact CB-CD1 4.37Å; V110-L130 HydrophobicContact CG1-CD1 3.97Å; V110-L130 HydrophobicContact CG2-CD1 3.52Å; A121-L130 HydrophobicContact CB-CB 4.46Å; A121-L130 PolarHBondContact O-N 2.86Å; N123-L130 HydrophobicContact CB-CD1 4.46Å; N123-L130 HydrophobicContact CB-CD2 4.26Å; N123-L130 HydrophobicContact CB-CG 4.44Å; R128-L130 PolarHBondContact O-N 3.44Å
131W96.5Very high94Very high23 Ų2348.8 Ų48.89%0.08725%0.245CC..EExtended strand (participates in β ladder)trans-150.1162.4174.153.8-108.6000110.3L112 L119 A121 V133 L156 G176 G179L112-W131 HydrophobicContact CD2-CH2 3.89Å; L112-W131 HydrophobicContact CD2-CZ2 4.06Å; L119-W131 HydrophobicContact CD2-CH2 4.06Å; L119-W131 HydrophobicContact CD2-CZ3 4.01Å; L119-W131 HydrophobicContact CG-CH2 4.22Å; L119-W131 HydrophobicContact CG-CZ3 3.91Å; A121-W131 HydrophobicContact CB-CD2 3.45Å; A121-W131 VanDerWaalsContact CB-CD2 3.45Å; A121-W131 HydrophobicContact CB-CE3 3.88Å; A121-W131 HydrophobicContact CB-CG 4Å; A121-W131 HydrophobicContact CB-CH2 3.89Å; A121-W131 HydrophobicContact CB-CZ2 3.47Å; A121-W131 VanDerWaalsContact CB-CZ2 3.47Å; A121-W131 HydrophobicContact CB-CZ3 4.09Å; A121-W131 PolarHBondContact N-O 2.61Å; A121-W131 PolarHBondContact O-N 3.24Å; W131-V133 HydrophobicContact CZ3-CG1 4.33Å; W131-L156 HydrophobicContact CH2-CD1 4.09Å; W131-L156 HydrophobicContact CZ2-CD1 4.35Å; W131-G176 PolarHBondContact NE1-O 2.86Å; W131-G179 VanDerWaalsContact CD2-CA 3.49Å
132S96.9Very high93.9Very high52 Ų5249 Ų4936%0.36425%0.247SC..EExtended strand (participates in β ladder)trans-149.4143.7176.7-162.20000109.3N118 L119N118-S132 VanDerWaalsContact CG-OG 3.28Å; N118-S132 PolarHBondContact ND2-OG 2.83Å; N118-S132 PolarHBondContact OD1-OG 3.05Å; L119-S132 CarbonylContact O-C 3.48Å; L119-S132 WeakPolarHBondContact O-CA 3.4Å; L119-S132 PolarHBondContact O-OG 2.99Å
133V96.1Very high93.7Very high20 Ų2049.9 Ų49.912%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-135.1127178.161.90000110.1N118 L119 W131 L135 I174 G179N118-V133 PolarHBondContact OD1-O 2.85Å; L119-V133 HydrophobicContact CB-CG1 3.83Å; L119-V133 HydrophobicContact CD2-CG1 4.07Å; L119-V133 HydrophobicContact CG-CG1 4.27Å; L119-V133 PolarHBondContact N-O 2.89Å; L119-V133 PolarHBondContact O-N 3.48Å; W131-V133 HydrophobicContact CZ3-CG1 4.33Å; V133-L135 HydrophobicContact CG1-CD1 4.39Å; V133-L135 HydrophobicContact CG1-CD2 4.43Å; V133-L135 HydrophobicContact CG1-CG 4.21Å; V133-L135 HydrophobicContact CG2-CD2 4.07Å; V133-L135 PolarHBondContact O-N 2.83Å; V133-I174 HydrophobicContact CG1-CD1 4.47Å; V133-G179 VanDerWaalsContact CB-O 3.24Å; V133-G179 WeakPolarHBondContact CB-O 3.16Å; V133-G179 WeakPolarHBondContact CG1-O 3.33Å
134A93.9Very high93.6Very high79 Ų7949.9 Ų49.965%0.65325%0.252SS*.EExtended strand (participates in β ladder)trans-74122.2171.300000109.3S117S117-A134 WeakPolarHBondContact O-CA 3.35Å
135L89.4Confident93.6Very high11 Ų1150 Ų506%0.05825%0.253CS..  trans-119.8149.8175.2-61178.4000108.3S117 L119 V133 I138 L158 T160 T172 I174 K181S117-L135 CarbonylContact C-O 3.56Å; S117-L135 VanDerWaalsContact C-O 3.28Å; S117-L135 VanDerWaalsContact CA-O 3.22Å; S117-L135 WeakPolarHBondContact CA-O 3.46Å; S117-L135 PolarHBondContact O-N 2.93Å; L119-L135 HydrophobicContact CB-CD1 4.04Å; L119-L135 HydrophobicContact CD2-CD1 4.35Å; V133-L135 HydrophobicContact CG1-CD1 4.39Å; V133-L135 HydrophobicContact CG1-CD2 4.43Å; V133-L135 HydrophobicContact CG1-CG 4.21Å; V133-L135 HydrophobicContact CG2-CD2 4.07Å; V133-L135 PolarHBondContact O-N 2.83Å; L135-I138 HydrophobicContact CB-CD1 3.93Å; L135-I138 HydrophobicContact CB-CG1 3.75Å; L135-I138 HydrophobicContact CD1-CD1 3.79Å; L135-I138 HydrophobicContact CD1-CG1 4.12Å; L135-I138 HydrophobicContact CG-CD1 4.34Å; L135-L158 HydrophobicContact CD1-CD2 4.42Å; L135-T160 HydrophobicContact CB-CG2 4.45Å; L135-T172 HydrophobicContact CD2-CG2 4.31Å; L135-I174 HydrophobicContact CD1-CD1 4.28Å; L135-I174 HydrophobicContact CD2-CD1 3.93Å; L135-K181 HydrophobicContact CD2-CD 4.11Å; L135-K181 HydrophobicContact CD2-CG 4.26Å
136R81Confident93.4Very high177 Ų17749.8 Ų49.867%0.66825%0.249SC*.SBendtrans-89.5120.1177.5-65.9-173.1-179.1-1581.9108.1T160R136-T160 WeakPolarHBondContact O-CB 3.45Å
137N88.3Confident93.3Very high49 Ų4948 Ų4826%0.26224%0.236SC..SBendtrans5069.9170.4-64.4-23.5000113.9K116 T160 L161K116-N137 CarbonylContact O-C 3.57Å; K116-N137 VanDerWaalsContact O-CA 3.3Å; K116-N137 WeakPolarHBondContact O-CA 3.11Å; K116-N137 PolarHBondContact O-N 3.25Å; N137-T160 CarbonylContact O-C 3.48Å; N137-T160 VanDerWaalsContact O-CA 3.25Å; N137-T160 WeakPolarHBondContact O-CA 3.44Å; N137-L161 HydrophobicContact CB-CB 3.78Å; N137-L161 HydrophobicContact CB-CD1 4.48Å; N137-L161 HydrophobicContact CB-CG 4.38Å; N137-L161 PolarHBondContact O-N 2.85Å
138I93.6Very high93.1Very high0 Ų048 Ų480%024%0.236CC..BIsolated β-bridgetrans-65.2135.7172.3-52.4177.5000109.1I114 G115 K116 L119 L135 S140 L158 T160I114-I138 HydrophobicContact CG2-CB 4.41Å; I114-I138 HydrophobicContact CG2-CD1 3.83Å; I114-I138 HydrophobicContact CG2-CG2 3.73Å; G115-I138 WeakPolarHBondContact O-CD1 3.45Å; K116-I138 PolarHBondContact NZ-O 3.06Å; K116-I138 PolarHBondContact O-N 3.14Å; L119-I138 HydrophobicContact CB-CD1 4.17Å; L135-I138 HydrophobicContact CB-CD1 3.93Å; L135-I138 HydrophobicContact CB-CG1 3.75Å; L135-I138 HydrophobicContact CD1-CD1 3.79Å; L135-I138 HydrophobicContact CD1-CG1 4.12Å; L135-I138 HydrophobicContact CG-CD1 4.34Å; I138-S140 WeakPolarHBondContact CG2-O 3.49Å; I138-L158 HydrophobicContact CD1-CD2 4.37Å; I138-L158 HydrophobicContact CG2-CD2 3.92Å; I138-T160 HydrophobicContact CG1-CG2 4.35Å
139E91.9Very high92.8Very high47 Ų4743.6 Ų43.622%0.2222%0.223CC..  trans-118.9-14.4179.9-60.5-57.5157.500113.5Y96 K116 A159 L161 L196Y96-E139 PolarHBondContact OH-O 3.18Å; K116-E139 IonicContact NZ-OE1 3.9Å; K116-E139 PolarHBondContact NZ-OE1 2.84Å; K116-E139 IonicContact NZ-OE2 3.55Å; K116-E139 PolarHBondContact NZ-OE2 3.39Å; E139-A159 PolarHBondContact N-O 2.75Å; E139-L161 HydrophobicContact CG-CD1 4.31Å; E139-L161 HydrophobicContact CG-CD2 4.18Å; E139-L161 HydrophobicContact CG-CG 3.72Å; E139-L161 WeakPolarHBondContact OE1-CD1 3.38Å; E139-L161 WeakPolarHBondContact OE1-CG 3.31Å; E139-L196 HydrophobicContact CB-CD2 3.67Å
140S93.3Very high92.5Very high5 Ų540 Ų404%0.03522%0.224CC..SBendtrans-127.9165.1-17575.20000113.9Y96 I138 A159 P199Y96-S140 WeakPolarHBondContact CD2-O 3.44Å; Y96-S140 WeakPolarHBondContact CE2-O 3.32Å; I138-S140 WeakPolarHBondContact CG2-O 3.49Å; S140-A159 PolarHBondContact OG-N 3.29Å; S140-P199 VanDerWaalsContact CB-CD 3.44Å; S140-P199 WeakPolarHBondContact OG-CD 3.26Å
141Q93.8Very high92.2Very high68 Ų6839.7 Ų39.732%0.31822%0.222SC..PPolyproline II helixtrans-60.1162.4156.9-66.6-174.7-12.300110.9Y96 N283Y96-Q141 HydrophobicContact CD1-CG 3.46Å; Y96-Q141 VanDerWaalsContact CD1-CG 3.46Å; Y96-Q141 HydrophobicContact CD2-CG 4.29Å; Y96-Q141 HydrophobicContact CE1-CG 3.93Å; Y96-Q141 HydrophobicContact CG-CG 3.65Å; Q141-N283 PolarHBondContact NE2-OD1 2.75Å
142A94.9Very high91.9Very high5 Ų543.1 Ų43.14%0.04125%0.249CC..PPolyproline II helixtrans-78.2138170.400000110.8Q98 L112 I114 L156 L158 L285Q98-A142 PolarHBondContact NE2-O 3.01Å; Q98-A142 PolarHBondContact OE1-O 3.03Å; L112-A142 HydrophobicContact CD1-CB 3.87Å; I114-A142 HydrophobicContact CD1-CB 4.08Å; A142-L156 HydrophobicContact CB-CD2 4.39Å; A142-L158 HydrophobicContact CB-CD1 4.34Å; A142-L158 HydrophobicContact CB-CD2 4.37Å; A142-L158 HydrophobicContact CB-CG 4.15Å; A142-L285 HydrophobicContact CB-CD2 4.48Å
143V94.1Very high91.7Very high18 Ų1840.7 Ų40.711%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-102.1124172.2175.50000108.2L145 L156 L157 P199 L201V143-L145 HydrophobicContact CG1-CD2 4.21Å; V143-L145 PolarHBondContact O-N 2.89Å; V143-L156 CarbonylContact O-C 3.53Å; V143-L156 WeakPolarHBondContact O-CA 3.35Å; V143-L157 HydrophobicContact CB-CB 4.22Å; V143-L157 PolarHBondContact N-O 2.79Å; V143-L157 PolarHBondContact O-N 2.81Å; V143-P199 HydrophobicContact CG2-CB 4.07Å; V143-P199 HydrophobicContact CG2-CG 3.8Å; V143-P199 WeakPolarHBondContact CG2-O 3.5Å; V143-L201 HydrophobicContact CG1-CB 3.65Å
144L93.8Very high91.5Very high14 Ų1441.5 Ų41.57%0.07324%0.238CC..EExtended strand (participates in β ladder)trans-71.3119.5174.5-165.274.5000109.6L101 P154 L156 L201 L285L101-L144 HydrophobicContact CD1-CD1 3.86Å; L144-P154 HydrophobicContact CD1-CB 3.63Å; L144-P154 HydrophobicContact CD2-CB 4.39Å; L144-P154 HydrophobicContact CG-CB 3.91Å; L144-L156 HydrophobicContact CD1-CD2 3.96Å; L144-L201 VanDerWaalsContact O-CD2 3.3Å; L144-L201 WeakPolarHBondContact O-CD2 3.37Å; L144-L285 HydrophobicContact CB-CD2 4.14Å
145L93.6Very high91.6Very high4 Ų437.7 Ų37.72%0.02121%0.207CC..PPolyproline II helixtrans-102.5159.3176-62.8-173.5000110.7V143 L148 P154 D155 L157 L173 L201 I211 L223V143-L145 HydrophobicContact CG1-CD2 4.21Å; V143-L145 PolarHBondContact O-N 2.89Å; L145-L148 HydrophobicContact CD1-CD1 3.94Å; L145-P154 WeakPolarHBondContact O-CA 3.36Å; L145-P154 VanDerWaalsContact O-CB 3.24Å; L145-P154 WeakPolarHBondContact O-CB 3.2Å; L145-D155 HydrophobicContact CB-CB 4.37Å; L145-D155 WeakPolarHBondContact CB-O 3.47Å; L145-D155 PolarHBondContact N-O 2.82Å; L145-D155 PolarHBondContact O-N 3.24Å; L145-L157 HydrophobicContact CD1-CB 3.78Å; L145-L157 HydrophobicContact CD2-CB 4.15Å; L145-L157 HydrophobicContact CG-CB 3.94Å; L145-L173 HydrophobicContact CD1-CD2 3.46Å; L145-L173 VanDerWaalsContact CD1-CD2 3.46Å; L145-L201 HydrophobicContact CD2-CD1 4.06Å; L145-L201 HydrophobicContact CD2-CD2 4.41Å; L145-I211 HydrophobicContact CD2-CD1 4Å; L145-L223 HydrophobicContact CD1-CD1 3.89Å; L145-L223 HydrophobicContact CD2-CD1 4.19Å; L145-L223 HydrophobicContact CD2-CD2 4.44Å
146P91.8Very high91.9Very high26 Ų2637.2 Ų37.217%0.16920%0.204CC..PPolyproline II helixtrans-56.3160.3162-21.733.3000111.9L148 Y209 F239P146-L148 WeakPolarHBondContact O-CG 3.17Å; P146-L148 PolarHBondContact O-N 3.42Å; P146-L148 VanDerWaalsContact O-N 3.11Å; P146-Y209 HydrophobicContact CG-CD1 4.23Å; P146-Y209 HydrophobicContact CG-CD2 4.07Å; P146-Y209 HydrophobicContact CG-CE1 3.85Å; P146-Y209 HydrophobicContact CG-CE2 3.69Å; P146-Y209 HydrophobicContact CG-CG 4.32Å; P146-F239 HydrophobicContact CB-CD2 4.15Å; P146-F239 HydrophobicContact CB-CE1 4.48Å; P146-F239 HydrophobicContact CB-CE2 3.26Å; P146-F239 HydrophobicContact CB-CZ 3.46Å; P146-F239 VanDerWaalsContact CB-CZ 3.46Å; P146-F239 HydrophobicContact CG-CD2 4.47Å; P146-F239 HydrophobicContact CG-CE2 3.89Å
147D92.1Very high92.7Very high30 Ų3028.8 Ų28.816%0.1617%0.172CC..  trans-64.7105.7176.7170.914.9000112.1Q149 G150 D151 S152 V153 F239D147-Q149 PolarHBondContact OD1-N 3.23Å; D147-G150 WeakPolarHBondContact OD1-CA 3.43Å; D147-G150 PolarHBondContact OD1-N 2.82Å; D147-G150 WeakPolarHBondContact OD2-CA 3.48Å; D147-G150 PolarHBondContact OD2-N 3.36Å; D147-D151 PolarHBondContact OD1-N 3.03Å; D147-D151 PolarHBondContact OD2-N 2.9Å; D147-S152 VanDerWaalsContact OD2-CA 3.3Å; D147-S152 WeakPolarHBondContact OD2-CA 3.24Å; D147-S152 PolarHBondContact OD2-N 2.89Å; D147-V153 WeakPolarHBondContact CB-O 3.45Å; D147-F239 WeakPolarHBondContact O-CZ 3.15Å
148L91.9Very high93Very high2 Ų226.4 Ų26.41%0.0116%0.16CC..SBendtrans-85.2-20.1-177.5-53.3178.3000112.6L145 P146 D155 L173 L223 Y227 V240L145-L148 HydrophobicContact CD1-CD1 3.94Å; P146-L148 WeakPolarHBondContact O-CG 3.17Å; P146-L148 PolarHBondContact O-N 3.42Å; P146-L148 VanDerWaalsContact O-N 3.11Å; L148-D155 WeakPolarHBondContact CA-OD2 3.11Å; L148-D155 WeakPolarHBondContact CB-OD2 3.39Å; L148-D155 HydrophobicContact CD1-CB 4.32Å; L148-D155 HydrophobicContact CG-CB 4.2Å; L148-D155 PolarHBondContact N-OD2 2.81Å; L148-L173 HydrophobicContact CD1-CD1 4.21Å; L148-L173 HydrophobicContact CD1-CD2 3.78Å; L148-L223 HydrophobicContact CD2-CD2 4.14Å; L148-Y227 HydrophobicContact CB-CD2 4.38Å; L148-Y227 HydrophobicContact CB-CE2 4.18Å; L148-Y227 HydrophobicContact CD1-CD2 4.38Å; L148-V240 HydrophobicContact CD2-CG2 3.7Å
149Q89.8Confident93.1Very high98 Ų9826.4 Ų26.446%0.45816%0.16SC..SBendtrans-103.5-10.7-171.9-52.6-166.2-88.100113.4D147 S175 I182D147-Q149 PolarHBondContact OD1-N 3.23Å; Q149-S175 PolarHBondContact OE1-OG 2.88Å; Q149-S175 VanDerWaalsContact OE1-OG 3.09Å; Q149-I182 HydrophobicContact CG-CD1 3.76Å; Q149-I182 HydrophobicContact CG-CG1 4.31Å; Q149-I182 HydrophobicContact CG-CG2 4.43Å
150G89.2Confident93Very high55 Ų5524.5 Ų24.557%0.56715%0.151SC*.SBendtrans7921.1-179.400000113.9D147 S152D147-G150 WeakPolarHBondContact OD1-CA 3.43Å; D147-G150 PolarHBondContact OD1-N 2.82Å; D147-G150 WeakPolarHBondContact OD2-CA 3.48Å; D147-G150 PolarHBondContact OD2-N 3.36Å; G150-S152 VanDerWaalsContact C-N 3.35Å
151D90.7Very high92.5Very high51 Ų5126.7 Ų26.727%0.27316%0.163SC..SBendtrans-93.47.2-179.973.53.6000113.9D147 V153 Q177D147-D151 PolarHBondContact OD1-N 3.03Å; D147-D151 PolarHBondContact OD2-N 2.9Å; D151-V153 PolarHBondContact O-N 3.11Å; D151-V153 WeakPolarHBondContact OD1-CB 3.4Å; D151-V153 PolarHBondContact OD1-N 2.99Å; D151-Q177 VanDerWaalsContact OD2-CB 3.22Å; D151-Q177 WeakPolarHBondContact OD2-CB 3.13Å
152S90.2Very high91.3Very high94 Ų9424.2 Ų24.266%0.65715%0.152SC*.SBendtrans6514.4-177.7-50.30000114.7D147 G150D147-S152 VanDerWaalsContact OD2-CA 3.3Å; D147-S152 WeakPolarHBondContact OD2-CA 3.24Å; D147-S152 PolarHBondContact OD2-N 2.89Å; G150-S152 VanDerWaalsContact C-N 3.35Å
153V91.6Very high89.6Confident1 Ų127.1 Ų27.11%0.00618%0.176CC..SBendtrans-112.6130.1172.5179.60000109.4L103 D147 D151 D155 Q177L103-V153 HydrophobicContact CD2-CG1 3.67Å; D147-V153 WeakPolarHBondContact CB-O 3.45Å; D151-V153 PolarHBondContact O-N 3.11Å; D151-V153 WeakPolarHBondContact OD1-CB 3.4Å; D151-V153 PolarHBondContact OD1-N 2.99Å; V153-D155 PolarHBondContact O-N 3.16Å; V153-Q177 HydrophobicContact CB-CB 4.02Å; V153-Q177 HydrophobicContact CG1-CB 4.17Å; V153-Q177 HydrophobicContact CG2-CB 4.1Å; V153-Q177 HydrophobicContact CG2-CG 4.43Å
154P92.6Very high88Confident37 Ų3730.5 Ų30.524%0.2419%0.194CC..  trans-55.3136.8172.5-27.937000112.2L144 L145 G176L144-P154 HydrophobicContact CD1-CB 3.63Å; L144-P154 HydrophobicContact CD2-CB 4.39Å; L144-P154 HydrophobicContact CG-CB 3.91Å; L145-P154 WeakPolarHBondContact O-CA 3.36Å; L145-P154 VanDerWaalsContact O-CB 3.24Å; L145-P154 WeakPolarHBondContact O-CB 3.2Å; P154-G176 WeakPolarHBondContact O-CA 3.41Å
155D95.1Very high86.4Confident0 Ų037.1 Ų37.10%022%0.224CC..  trans-89.1176.6176.7-71.9-41.8000111.9L145 L148 V153 S175 G176 I182L145-D155 HydrophobicContact CB-CB 4.37Å; L145-D155 WeakPolarHBondContact CB-O 3.47Å; L145-D155 PolarHBondContact N-O 2.82Å; L145-D155 PolarHBondContact O-N 3.24Å; L148-D155 WeakPolarHBondContact CA-OD2 3.11Å; L148-D155 WeakPolarHBondContact CB-OD2 3.39Å; L148-D155 HydrophobicContact CD1-CB 4.32Å; L148-D155 HydrophobicContact CG-CB 4.2Å; L148-D155 PolarHBondContact N-OD2 2.81Å; V153-D155 PolarHBondContact O-N 3.16Å; D155-S175 VanDerWaalsContact OD1-CA 3.25Å; D155-S175 WeakPolarHBondContact OD1-CA 3.17Å; D155-G176 PolarHBondContact OD1-N 2.83Å; D155-G176 VanDerWaalsContact OD1-N 3.09Å; D155-I182 HydrophobicContact CB-CD1 4.06Å; D155-I182 WeakPolarHBondContact OD2-CD1 3.21Å
156L96.8Very high84.6Confident0 Ų041.9 Ų41.90%025%0.254CS..EExtended strand (participates in β ladder)trans-126.2149.9-175.3-55.7169.9000110.9L112 W131 A142 V143 L144 L158 L173 I174L112-L156 HydrophobicContact CD1-CD1 3.61Å; L112-L156 HydrophobicContact CD1-CD2 4.23Å; W131-L156 HydrophobicContact CH2-CD1 4.09Å; W131-L156 HydrophobicContact CZ2-CD1 4.35Å; A142-L156 HydrophobicContact CB-CD2 4.39Å; V143-L156 CarbonylContact O-C 3.53Å; V143-L156 WeakPolarHBondContact O-CA 3.35Å; L144-L156 HydrophobicContact CD1-CD2 3.96Å; L156-L158 HydrophobicContact CB-CD1 4.39Å; L156-L173 WeakPolarHBondContact O-CA 3.27Å; L156-I174 HydrophobicContact CB-CB 4.16Å; L156-I174 PolarHBondContact N-O 2.85Å; L156-I174 PolarHBondContact O-N 2.87Å
157L96.7Very high82.9Confident0 Ų042.8 Ų42.80%026%0.257CS..EExtended strand (participates in β ladder)trans-126.1134170.7-178.768.2000110.1V143 L145 L171 L173 P199 I211V143-L157 HydrophobicContact CB-CB 4.22Å; V143-L157 PolarHBondContact N-O 2.79Å; V143-L157 PolarHBondContact O-N 2.81Å; L145-L157 HydrophobicContact CD1-CB 3.78Å; L145-L157 HydrophobicContact CD2-CB 4.15Å; L145-L157 HydrophobicContact CG-CB 3.94Å; L157-L171 HydrophobicContact CD1-CB 3.77Å; L157-L171 HydrophobicContact CD2-CD1 4.4Å; L157-L173 HydrophobicContact CD1-CD2 3.82Å; L157-L173 HydrophobicContact CD1-CG 4.39Å; L157-P199 HydrophobicContact CD2-CB 4.41Å; L157-I211 HydrophobicContact CD2-CB 4.37Å; L157-I211 HydrophobicContact CD2-CD1 3.65Å; L157-I211 HydrophobicContact CD2-CG1 3.67Å; L157-I211 HydrophobicContact CD2-CG2 3.83Å
158L95.9Very high81.9Confident0 Ų044.4 Ų44.40%027%0.266CS..EExtended strand (participates in β ladder)trans-129.4148.2173.9-63.993.7000110.6I114 L119 L135 I138 A142 L156 L171 T172 I174I114-L158 HydrophobicContact CD1-CD2 4.36Å; I114-L158 HydrophobicContact CG2-CD2 4.38Å; L119-L158 HydrophobicContact CD1-CD2 4.38Å; L119-L158 HydrophobicContact CD2-CD1 3.81Å; L119-L158 HydrophobicContact CD2-CD2 4.16Å; L135-L158 HydrophobicContact CD1-CD2 4.42Å; I138-L158 HydrophobicContact CD1-CD2 4.37Å; I138-L158 HydrophobicContact CG2-CD2 3.92Å; A142-L158 HydrophobicContact CB-CD1 4.34Å; A142-L158 HydrophobicContact CB-CD2 4.37Å; A142-L158 HydrophobicContact CB-CG 4.15Å; L156-L158 HydrophobicContact CB-CD1 4.39Å; L158-L171 WeakPolarHBondContact O-CA 3.14Å; L158-T172 PolarHBondContact N-O 2.83Å; L158-T172 VanDerWaalsContact N-O 3.07Å; L158-T172 PolarHBondContact O-N 2.67Å; L158-I174 HydrophobicContact CD1-CB 4.39Å; L158-I174 HydrophobicContact CD1-CG1 3.7Å
159A94.2Very high81.6Confident0 Ų044.5 Ų44.50%027%0.266CS..EExtended strand (participates in β ladder)trans-90.4134.4166.300000110.5E139 S140 L169 S170 L171 L196 P199E139-A159 PolarHBondContact N-O 2.75Å; S140-A159 PolarHBondContact OG-N 3.29Å; A159-L169 HydrophobicContact CB-CD1 3.91Å; A159-L169 HydrophobicContact CB-CD2 4.22Å; A159-L169 HydrophobicContact CB-CG 4.22Å; A159-S170 WeakPolarHBondContact CA-O 3.24Å; A159-L171 HydrophobicContact CB-CD2 3.99Å; A159-L196 HydrophobicContact CB-CD2 4.14Å; A159-P199 HydrophobicContact CB-CG 4.26Å
160T90.7Very high81.6Confident6 Ų640 Ų404%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-136.3151-175.549.50000109.9L135 R136 N137 I138 S170 T172L135-T160 HydrophobicContact CB-CG2 4.45Å; R136-T160 WeakPolarHBondContact O-CB 3.45Å; N137-T160 CarbonylContact O-C 3.48Å; N137-T160 VanDerWaalsContact O-CA 3.25Å; N137-T160 WeakPolarHBondContact O-CA 3.44Å; I138-T160 HydrophobicContact CG1-CG2 4.35Å; T160-S170 PolarHBondContact N-O 2.86Å; T160-S170 PolarHBondContact O-N 3.27Å; T160-S170 PolarHBondContact OG1-O 2.82Å; T160-T172 PolarHBondContact OG1-OG1 3.09Å
161L82.8Confident81.8Confident52 Ų5237.4 Ų37.427%0.27222%0.219SC..  trans-83.9136167-62.5177.6000110.6N137 E139 D168N137-L161 HydrophobicContact CB-CB 3.78Å; N137-L161 HydrophobicContact CB-CD1 4.48Å; N137-L161 HydrophobicContact CB-CG 4.38Å; N137-L161 PolarHBondContact O-N 2.85Å; E139-L161 HydrophobicContact CG-CD1 4.31Å; E139-L161 HydrophobicContact CG-CD2 4.18Å; E139-L161 HydrophobicContact CG-CG 3.72Å; E139-L161 WeakPolarHBondContact OE1-CD1 3.38Å; E139-L161 WeakPolarHBondContact OE1-CG 3.31Å; L161-D168 WeakPolarHBondContact CD2-O 3.34Å
162P69.8Low82Confident16 Ų1635.2 Ų35.210%0.10421%0.207CC..  trans-67.3156176.319.5-20.2000112.2D164 E165 L167P162-D164 PolarHBondContact O-N 3.04Å; P162-E165 PolarHBondContact O-N 3.47Å; P162-L167 HydrophobicContact CB-CB 4.36Å; P162-L167 HydrophobicContact CB-CD1 4.27Å; P162-L167 WeakPolarHBondContact CD-O 3.32Å; P162-L167 HydrophobicContact CG-CB 3.45Å; P162-L167 VanDerWaalsContact CG-CB 3.45Å; P162-L167 HydrophobicContact CG-CD1 4.2Å; P162-L167 HydrophobicContact CG-CG 4.41Å; P162-L167 WeakPolarHBondContact CG-O 3.47Å
163A58.9Low82.3Confident66 Ų6630.8 Ų30.855%0.54518%0.176SC..THydrogen-bonded Turntrans-66.2-20.7-168.100000115.6
164D60.7Low82.6Confident89 Ų8930.7 Ų30.748%0.47618%0.176SC..THydrogen-bonded Turntrans-99.9-3.4-177.662.9-19.8000112.5P162 T166P162-D164 PolarHBondContact O-N 3.04Å; D164-T166 HydrophobicContact CB-CG2 4.19Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 VanDerWaalsContact O-CG2 3.3Å; D164-T166 WeakPolarHBondContact O-CG2 3.31Å; D164-T166 PolarHBondContact O-N 3.19Å; D164-T166 PolarHBondContact OD2-OG1 2.91Å
165E59.5Low82.8Confident152 Ų15229 Ų2971%0.7116%0.164SC*.SBendtrans53.712-178.1-58.8-179.2179.800114.2P162P162-E165 PolarHBondContact O-N 3.47Å
166T55Low82.8Confident104 Ų10429 Ų2964%0.63816%0.164SC*.  trans-88.3-21.3-179.174.10000113.4D164D164-T166 HydrophobicContact CB-CG2 4.19Å; D164-T166 VanDerWaalsContact CG-OG1 3.3Å; D164-T166 VanDerWaalsContact O-CG2 3.3Å; D164-T166 WeakPolarHBondContact O-CG2 3.31Å; D164-T166 PolarHBondContact O-N 3.19Å; D164-T166 PolarHBondContact OD2-OG1 2.91Å
167L57.1Low82.6Confident45 Ų4531 Ų3124%0.23617%0.174CC..SBendtrans-106.4145176.6-61160.8000108.8P162 P187 N189P162-L167 HydrophobicContact CB-CB 4.36Å; P162-L167 HydrophobicContact CB-CD1 4.27Å; P162-L167 WeakPolarHBondContact CD-O 3.32Å; P162-L167 HydrophobicContact CG-CB 3.45Å; P162-L167 VanDerWaalsContact CG-CB 3.45Å; P162-L167 HydrophobicContact CG-CD1 4.2Å; P162-L167 HydrophobicContact CG-CG 4.41Å; P162-L167 WeakPolarHBondContact CG-O 3.47Å; L167-P187 HydrophobicContact CD1-CB 3.55Å; L167-P187 HydrophobicContact CD1-CG 4.41Å; L167-N189 WeakPolarHBondContact CD2-OD1 3.29Å
168D70.1Confident82.6Confident65 Ų6533.9 Ų33.935%0.34819%0.191SC..SBendtrans-76.9-31.5-168.1-52.9-60.8000113.7L161 F188 L190 L215L161-D168 WeakPolarHBondContact CD2-O 3.34Å; D168-F188 PolarHBondContact N-O 3.2Å; D168-L190 HydrophobicContact CB-CB 3.92Å; D168-L190 VanDerWaalsContact OD2-C 3.29Å; D168-L190 PolarHBondContact OD2-N 2.79Å; D168-L215 HydrophobicContact CB-CD1 4.01Å
169L85.7Confident82.5Confident3 Ų334 Ų342%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-159.9147.5-176.1-160.869000111.8A159 F188 L190 L196 F213A159-L169 HydrophobicContact CB-CD1 3.91Å; A159-L169 HydrophobicContact CB-CD2 4.22Å; A159-L169 HydrophobicContact CB-CG 4.22Å; L169-F188 PolarHBondContact N-O 3.45Å; L169-F188 PolarHBondContact O-N 3.36Å; L169-L190 HydrophobicContact CB-CD1 3.88Å; L169-L190 HydrophobicContact CD2-CD1 3.8Å; L169-L190 HydrophobicContact CG-CD1 4.48Å; L169-L196 HydrophobicContact CD1-CD1 4.03Å; L169-L196 HydrophobicContact CD1-CD2 4.28Å; L169-L196 HydrophobicContact CD2-CD1 3.73Å; L169-F213 HydrophobicContact CD2-CD2 3.66Å; L169-F213 HydrophobicContact CD2-CE2 4.11Å
170S90.6Very high82.6Confident5 Ų541.1 Ų41.14%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-128.1136.1168-65.90000110.8A159 T160 V186A159-S170 WeakPolarHBondContact CA-O 3.24Å; T160-S170 PolarHBondContact N-O 2.86Å; T160-S170 PolarHBondContact O-N 3.27Å; T160-S170 PolarHBondContact OG1-O 2.82Å; S170-V186 CarbonylContact C-O 3.4Å; S170-V186 VanDerWaalsContact CA-O 3.25Å; S170-V186 WeakPolarHBondContact CA-O 3.27Å
171L93.8Very high82.9Confident0 Ų046.2 Ų46.20%025%0.245CC..EExtended strand (participates in β ladder)trans-94.6127170.8-62.5178.6000109.7L157 L158 A159 V186 F188 P199 I211 F213 I226L157-L171 HydrophobicContact CD1-CB 3.77Å; L157-L171 HydrophobicContact CD2-CD1 4.4Å; L158-L171 WeakPolarHBondContact O-CA 3.14Å; A159-L171 HydrophobicContact CB-CD2 3.99Å; L171-V186 PolarHBondContact N-O 3.11Å; L171-V186 PolarHBondContact O-N 2.91Å; L171-F188 HydrophobicContact CB-CD2 4.5Å; L171-F188 HydrophobicContact CB-CE2 3.82Å; L171-F188 HydrophobicContact CD1-CD2 4.22Å; L171-F188 HydrophobicContact CD1-CE2 3.5Å; L171-F188 VanDerWaalsContact CD1-CE2 3.5Å; L171-F188 HydrophobicContact CD1-CZ 4.11Å; L171-F188 HydrophobicContact CG-CD2 3.93Å; L171-F188 HydrophobicContact CG-CE2 3.49Å; L171-F188 VanDerWaalsContact CG-CE2 3.49Å; L171-P199 HydrophobicContact CD2-CB 4.33Å; L171-P199 HydrophobicContact CD2-CG 4.33Å; L171-I211 HydrophobicContact CD1-CG2 4.23Å; L171-F213 HydrophobicContact CD1-CD1 4.44Å; L171-F213 HydrophobicContact CD1-CE1 4.18Å; L171-F213 HydrophobicContact CD1-CZ 4.3Å; L171-I226 HydrophobicContact CD1-CD1 3.75Å; L171-I226 HydrophobicContact CD1-CG1 4.48Å
172T95.2Very high83.4Confident4 Ų444.1 Ų44.13%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-115.1123.1-179.2-58.60000109.9L135 L158 T160 I174 K181L135-T172 HydrophobicContact CD2-CG2 4.31Å; L158-T172 PolarHBondContact N-O 2.83Å; L158-T172 VanDerWaalsContact N-O 3.07Å; L158-T172 PolarHBondContact O-N 2.67Å; T160-T172 PolarHBondContact OG1-OG1 3.09Å; T172-I174 HydrophobicContact CG2-CD1 3.73Å; T172-I174 HydrophobicContact CG2-CG1 4.36Å; T172-K181 HydrophobicContact CG2-CD 4.05Å; T172-K181 HydrophobicContact CG2-CG 3.94Å
173L96.5Very high84.6Confident1 Ų145.2 Ų45.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-82.9134.2172.6-62.9169000109.9L145 L148 L156 L157 K181 I182 I226 A230L145-L173 HydrophobicContact CD1-CD2 3.46Å; L145-L173 VanDerWaalsContact CD1-CD2 3.46Å; L148-L173 HydrophobicContact CD1-CD1 4.21Å; L148-L173 HydrophobicContact CD1-CD2 3.78Å; L156-L173 WeakPolarHBondContact O-CA 3.27Å; L157-L173 HydrophobicContact CD1-CD2 3.82Å; L157-L173 HydrophobicContact CD1-CG 4.39Å; L173-K181 WeakPolarHBondContact O-CA 3.15Å; L173-I182 HydrophobicContact CB-CB 3.8Å; L173-I182 HydrophobicContact CB-CD1 4.47Å; L173-I182 HydrophobicContact CB-CG1 4.45Å; L173-I182 PolarHBondContact O-N 2.59Å; L173-I226 HydrophobicContact CD1-CG2 4.26Å; L173-I226 HydrophobicContact CD2-CG2 4.34Å; L173-I226 HydrophobicContact CG-CG2 4.3Å; L173-A230 HydrophobicContact CD1-CB 3.86Å
174I97.2Very high86.2Confident0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-130.3132.7-178.2-55.9-64.9000109.2L119 V133 L135 L156 L158 T172 G176 K181L119-I174 HydrophobicContact CD2-CG1 4.4Å; L119-I174 HydrophobicContact CD2-CG2 4.2Å; V133-I174 HydrophobicContact CG1-CD1 4.47Å; L135-I174 HydrophobicContact CD1-CD1 4.28Å; L135-I174 HydrophobicContact CD2-CD1 3.93Å; L156-I174 HydrophobicContact CB-CB 4.16Å; L156-I174 PolarHBondContact N-O 2.85Å; L156-I174 PolarHBondContact O-N 2.87Å; L158-I174 HydrophobicContact CD1-CB 4.39Å; L158-I174 HydrophobicContact CD1-CG1 3.7Å; T172-I174 HydrophobicContact CG2-CD1 3.73Å; T172-I174 HydrophobicContact CG2-CG1 4.36Å; I174-G176 PolarHBondContact O-N 2.91Å; I174-K181 HydrophobicContact CD1-CB 4.43Å; I174-K181 HydrophobicContact CD1-CG 3.63Å
175S96.2Very high87.7Confident0 Ų044.1 Ų44.10%023%0.234CC..  trans-62.6121.5172.4175.20000110.3Q149 D155 Q177 T178 G179 K180Q149-S175 PolarHBondContact OE1-OG 2.88Å; Q149-S175 VanDerWaalsContact OE1-OG 3.09Å; D155-S175 VanDerWaalsContact OD1-CA 3.25Å; D155-S175 WeakPolarHBondContact OD1-CA 3.17Å; S175-Q177 VanDerWaalsContact C-N 3.27Å; S175-Q177 PolarHBondContact O-N 3.09Å; S175-T178 WeakPolarHBondContact CB-OG1 3.28Å; S175-T178 PolarHBondContact OG-N 2.98Å; S175-T178 PolarHBondContact OG-OG1 2.81Å; S175-G179 VanDerWaalsContact O-CA 3.27Å; S175-G179 WeakPolarHBondContact O-CA 3.13Å; S175-G179 PolarHBondContact O-N 2.89Å; S175-K180 WeakPolarHBondContact CB-O 3.42Å; S175-K180 PolarHBondContact N-O 2.81Å
176G94.8Very high89.2Confident0 Ų037 Ų370%020%0.2CC..THydrogen-bonded Turntrans-64.4-35.7176.200000112L103 W131 P154 D155 I174L103-G176 WeakPolarHBondContact CD2-O 3.2Å; W131-G176 PolarHBondContact NE1-O 2.86Å; P154-G176 WeakPolarHBondContact O-CA 3.41Å; D155-G176 PolarHBondContact OD1-N 2.83Å; D155-G176 VanDerWaalsContact OD1-N 3.09Å; I174-G176 PolarHBondContact O-N 2.91Å
177Q94.3Very high90.9Very high43 Ų4335 Ų3520%0.20119%0.189CC..THydrogen-bonded Turntrans-72.2-38.1-178.8-178.856.483.700113.5D151 V153 S175D151-Q177 VanDerWaalsContact OD2-CB 3.22Å; D151-Q177 WeakPolarHBondContact OD2-CB 3.13Å; V153-Q177 HydrophobicContact CB-CB 4.02Å; V153-Q177 HydrophobicContact CG1-CB 4.17Å; V153-Q177 HydrophobicContact CG2-CB 4.1Å; V153-Q177 HydrophobicContact CG2-CG 4.43Å; S175-Q177 VanDerWaalsContact C-N 3.27Å; S175-Q177 PolarHBondContact O-N 3.09Å
178T94.9Very high92.2Very high60 Ų6033 Ų3337%0.36818%0.178SC..THydrogen-bonded Turntrans-120-13.6-168.667.80000115S175 K180S175-T178 WeakPolarHBondContact CB-OG1 3.28Å; S175-T178 PolarHBondContact OG-N 2.98Å; S175-T178 PolarHBondContact OG-OG1 2.81Å; T178-K180 PolarHBondContact O-N 2.79Å; T178-K180 WeakPolarHBondContact OG1-CB 3.32Å; T178-K180 PolarHBondContact OG1-N 3.38Å
179G95.4Very high92.6Very high3 Ų335.1 Ų35.13%0.03119%0.19CC..  trans71.11.7-171.900000114.5W131 V133 S175W131-G179 VanDerWaalsContact CD2-CA 3.49Å; V133-G179 VanDerWaalsContact CB-O 3.24Å; V133-G179 WeakPolarHBondContact CB-O 3.16Å; V133-G179 WeakPolarHBondContact CG1-O 3.33Å; S175-G179 VanDerWaalsContact O-CA 3.27Å; S175-G179 WeakPolarHBondContact O-CA 3.13Å; S175-G179 PolarHBondContact O-N 2.89Å
180K96Very high92Very high150 Ų15035.1 Ų35.165%0.65219%0.19SC*.  trans-74.9144.8-179.8-68.6-179.4179.2176.40111S175 T178 I182S175-K180 WeakPolarHBondContact CB-O 3.42Å; S175-K180 PolarHBondContact N-O 2.81Å; T178-K180 PolarHBondContact O-N 2.79Å; T178-K180 WeakPolarHBondContact OG1-CB 3.32Å; T178-K180 PolarHBondContact OG1-N 3.38Å; K180-I182 PolarHBondContact O-N 2.54Å
181K95.8Very high90.8Very high112 Ų11246.8 Ų46.849%0.48723%0.233SC..BIsolated β-bridgetrans-62132.5170.9-71.4-179.2-75.1-176.80110.6L135 T172 L173 I174L135-K181 HydrophobicContact CD2-CD 4.11Å; L135-K181 HydrophobicContact CD2-CG 4.26Å; T172-K181 HydrophobicContact CG2-CD 4.05Å; T172-K181 HydrophobicContact CG2-CG 3.94Å; L173-K181 WeakPolarHBondContact O-CA 3.15Å; I174-K181 HydrophobicContact CD1-CB 4.43Å; I174-K181 HydrophobicContact CD1-CG 3.63Å
182I94.7Very high89.4Confident8 Ų847.8 Ų47.84%0.04124%0.243CC..  trans-96.299174-49.5173.7000107.3Q149 D155 L173 K180 L231Q149-I182 HydrophobicContact CG-CD1 3.76Å; Q149-I182 HydrophobicContact CG-CG1 4.31Å; Q149-I182 HydrophobicContact CG-CG2 4.43Å; D155-I182 HydrophobicContact CB-CD1 4.06Å; D155-I182 WeakPolarHBondContact OD2-CD1 3.21Å; L173-I182 HydrophobicContact CB-CB 3.8Å; L173-I182 HydrophobicContact CB-CD1 4.47Å; L173-I182 HydrophobicContact CB-CG1 4.45Å; L173-I182 PolarHBondContact O-N 2.59Å; K180-I182 PolarHBondContact O-N 2.54Å; I182-L231 HydrophobicContact CG2-CD1 4.11Å; I182-L231 HydrophobicContact CG2-CD2 4.28Å
183G93.4Very high88.5Confident39 Ų3954.4 Ų54.440%0.40227%0.274SS..SBendtrans74.5-162.3-174.100000113.3A230G183-A230 CarbonylContact C-O 3.59Å; G183-A230 WeakPolarHBondContact CA-O 3.42Å
184H92.8Very high87.6Confident82 Ų8256.2 Ų56.238%0.3829%0.292SS..SBendtrans-94.41561776484.5000111.9V186 R229 A230 D232H184-V186 PolarHBondContact O-N 2.96Å; H184-R229 PolarHBondContact CE1-O 2.88Å; H184-R229 PolarHBondContact NE2-O 2.87Å; H184-A230 PolarHBondContact CD2-O 3.41Å; H184-A230 PolarHBondContact N-O 2.76Å; H184-A230 WeakPolarHBondContact O-CB 3.22Å; H184-D232 IonicContact NE2-OD2 3.23Å
185P92.4Very high87Confident51 Ų5162.3 Ų62.333%0.33132%0.319SS..  trans-55.9139.6171.7-23.934.6000111.1P187P185-P187 WeakPolarHBondContact O-CD 3.3Å
186V91.8Very high86.7Confident2 Ų264 Ų641%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-98.6109.1179.6-175.30000108.9S170 L171 H184 F188 I226 R229 A230S170-V186 CarbonylContact C-O 3.4Å; S170-V186 VanDerWaalsContact CA-O 3.25Å; S170-V186 WeakPolarHBondContact CA-O 3.27Å; L171-V186 PolarHBondContact N-O 3.11Å; L171-V186 PolarHBondContact O-N 2.91Å; H184-V186 PolarHBondContact O-N 2.96Å; V186-F188 HydrophobicContact CB-CE2 4.01Å; V186-F188 HydrophobicContact CB-CZ 4.13Å; V186-F188 HydrophobicContact CG1-CE1 4.09Å; V186-F188 HydrophobicContact CG1-CE2 3.77Å; V186-F188 HydrophobicContact CG1-CZ 3.42Å; V186-F188 VanDerWaalsContact CG1-CZ 3.42Å; V186-F188 WeakPolarHBondContact O-CD2 3.18Å; V186-F188 WeakPolarHBondContact O-CE2 3.42Å; V186-I226 HydrophobicContact CG2-CG2 4.09Å; V186-R229 HydrophobicContact CG1-CB 3.76Å; V186-R229 HydrophobicContact CG1-CG 4.44Å; V186-R229 HydrophobicContact CG2-CB 3.99Å; V186-A230 HydrophobicContact CG2-CB 3.69Å
187P89.3Confident86.5Confident61 Ų6164.3 Ų64.340%0.39633%0.329SS..EExtended strand (participates in β ladder)trans-78.3148.7-177.430.8-34.9000112.8L167 P185L167-P187 HydrophobicContact CD1-CB 3.55Å; L167-P187 HydrophobicContact CD1-CG 4.41Å; P185-P187 WeakPolarHBondContact O-CD 3.3Å
188F84.5Confident86.3Confident4 Ų463.4 Ų63.42%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-136.4131.9179.3-63.7-69.6000111D168 L169 L171 V186 F213 I221 F258D168-F188 PolarHBondContact N-O 3.2Å; L169-F188 PolarHBondContact N-O 3.45Å; L169-F188 PolarHBondContact O-N 3.36Å; L171-F188 HydrophobicContact CB-CD2 4.5Å; L171-F188 HydrophobicContact CB-CE2 3.82Å; L171-F188 HydrophobicContact CD1-CD2 4.22Å; L171-F188 HydrophobicContact CD1-CE2 3.5Å; L171-F188 VanDerWaalsContact CD1-CE2 3.5Å; L171-F188 HydrophobicContact CD1-CZ 4.11Å; L171-F188 HydrophobicContact CG-CD2 3.93Å; L171-F188 HydrophobicContact CG-CE2 3.49Å; L171-F188 VanDerWaalsContact CG-CE2 3.49Å; V186-F188 HydrophobicContact CB-CE2 4.01Å; V186-F188 HydrophobicContact CB-CZ 4.13Å; V186-F188 HydrophobicContact CG1-CE1 4.09Å; V186-F188 HydrophobicContact CG1-CE2 3.77Å; V186-F188 HydrophobicContact CG1-CZ 3.42Å; V186-F188 VanDerWaalsContact CG1-CZ 3.42Å; V186-F188 WeakPolarHBondContact O-CD2 3.18Å; V186-F188 WeakPolarHBondContact O-CE2 3.42Å; F188-F213 HydrophobicContact CB-CE2 4.17Å; F188-F213 HydrophobicContact CB-CZ 4.5Å; F188-F213 HydrophobicContact CD1-CZ 4.02Å; F188-F213 HydrophobicContact CD2-CE2 4.05Å; F188-F213 AromaticContact CD2-CZ 3.99Å; F188-F213 HydrophobicContact CD2-CZ 3.99Å; F188-F213 HydrophobicContact CE1-CZ 4.25Å; F188-F213 HydrophobicContact CE2-CZ 4.23Å; F188-F213 AromaticContact CG-CE2 3.96Å; F188-F213 HydrophobicContact CG-CE2 3.96Å; F188-F213 AromaticContact CG-CZ 3.88Å; F188-F213 HydrophobicContact CG-CZ 3.88Å; F188-F213 HydrophobicContact CZ-CZ 4.34Å; F188-I221 HydrophobicContact CE1-CD1 3.65Å; F188-I221 HydrophobicContact CZ-CD1 3.91Å; F188-F258 AromaticContact CD1-CE1 3.41Å; F188-F258 HydrophobicContact CD1-CE1 3.41Å; F188-F258 VanDerWaalsContact CD1-CE1 3.41Å; F188-F258 HydrophobicContact CD1-CE2 4.48Å; F188-F258 AromaticContact CD1-CZ 3.25Å; F188-F258 HydrophobicContact CD1-CZ 3.25Å; F188-F258 AromaticContact CE1-CE1 3.37Å; F188-F258 HydrophobicContact CE1-CE1 3.37Å; F188-F258 AromaticContact CE1-CZ 3.35Å; F188-F258 HydrophobicContact CE1-CZ 3.35Å; F188-F258 HydrophobicContact CZ-CE1 4.49Å
189N79.1Confident86.2Confident110 Ų11060.9 Ų60.959%0.58832%0.316SS*.  trans-94.696.7171.5-71.8-26.2000108.8L167 R191L167-N189 WeakPolarHBondContact CD2-OD1 3.29Å; N189-R191 PolarHBondContact O-N 2.78Å
190L73Confident86.1Confident2 Ų262.4 Ų62.41%0.0132%0.323CS..  trans-90.6102.8177.3-65.9177.2000108D168 L169 G192 F213 L215D168-L190 HydrophobicContact CB-CB 3.92Å; D168-L190 VanDerWaalsContact OD2-C 3.29Å; D168-L190 PolarHBondContact OD2-N 2.79Å; L169-L190 HydrophobicContact CB-CD1 3.88Å; L169-L190 HydrophobicContact CD2-CD1 3.8Å; L169-L190 HydrophobicContact CG-CD1 4.48Å; L190-G192 PolarHBondContact O-N 2.83Å; L190-F213 HydrophobicContact CD1-CD2 4.14Å; L190-F213 HydrophobicContact CD1-CE2 4.24Å; L190-F213 HydrophobicContact CD2-CD2 4.3Å; L190-F213 HydrophobicContact CD2-CE2 3.89Å; L190-F213 HydrophobicContact CG-CE2 4.43Å; L190-L215 HydrophobicContact CB-CB 4.46Å; L190-L215 HydrophobicContact CB-CD1 4.04Å; L190-L215 HydrophobicContact CD1-CB 4.36Å; L190-L215 HydrophobicContact CD1-CD1 3.8Å; L190-L215 HydrophobicContact CD1-CG 3.84Å
191R66.2Low86Confident251 Ų25156.1 Ų56.195%0.94730%0.296SS*.  trans-62.6-0.4178.8-62.2-175177.9-163.2-1.2115N189N189-R191 PolarHBondContact O-N 2.78Å
192G65Low85.8Confident20 Ų2050.8 Ų50.821%0.20627%0.273CS..  trans-96.2158.8-174.200000112.6L190 L215L190-G192 PolarHBondContact O-N 2.83Å; G192-L215 CarbonylContact C-O 3.59Å; G192-L215 WeakPolarHBondContact CA-O 3.48Å
193Q74.6Confident85.7Confident144 Ų14451 Ų5167%0.67327%0.274SS*.  trans-120.1137.2172.7-67.5-177.9-15.800108.8L215 R267Q193-L215 PolarHBondContact N-O 2.88Å; Q193-R267 WeakPolarHBondContact O-CD 3.38Å
194G79.1Confident85.6Confident38 Ų3849.3 Ų49.339%0.39226%0.256SS..SBendtrans153.3-166.4176.900000112.6L215G194-L215 WeakPolarHBondContact O-CD2 3.27Å
195K84.6Confident85.3Confident129 Ų12951.4 Ų51.456%0.56127%0.266SS*.SBendtrans-67144.6170.2-175.3-177.9172.9-171.50109.6I197K195-I197 PolarHBondContact O-N 3.35Å
196L88.8Confident85.1Confident36 Ų3654.1 Ų54.119%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-65.7124.7170.7179.664.5000109.6E139 A159 L169 L215E139-L196 HydrophobicContact CB-CD2 3.67Å; A159-L196 HydrophobicContact CB-CD2 4.14Å; L169-L196 HydrophobicContact CD1-CD1 4.03Å; L169-L196 HydrophobicContact CD1-CD2 4.28Å; L169-L196 HydrophobicContact CD2-CD1 3.73Å; L196-L215 HydrophobicContact CB-CD2 4.02Å; L196-L215 HydrophobicContact CD1-CD2 4.22Å; L196-L215 HydrophobicContact CD1-CG 4.47Å
197I90.3Very high85Confident6 Ų654.4 Ų54.43%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-102.5131.2171.1-54.9-57.5000108.1K195 F213 G214 V218 V268 L271K195-I197 PolarHBondContact O-N 3.35Å; I197-F213 CarbonylContact O-C 3.41Å; I197-F213 WeakPolarHBondContact O-CA 3.37Å; I197-F213 WeakPolarHBondContact O-CB 3.48Å; I197-G214 PolarHBondContact N-O 2.93Å; I197-G214 PolarHBondContact O-N 3.02Å; I197-V218 HydrophobicContact CG2-CG2 4.1Å; I197-V268 HydrophobicContact CD1-CG1 3.96Å; I197-V268 HydrophobicContact CG1-CB 4.27Å; I197-V268 HydrophobicContact CG1-CG1 3.89Å; I197-L271 HydrophobicContact CG2-CB 3.5Å; I197-L271 HydrophobicContact CG2-CD2 4.1Å; I197-L271 HydrophobicContact CG2-CG 4.46Å
198G90.3Very high85.1Confident23 Ų2351.5 Ų51.524%0.23726%0.258CS..EExtended strand (participates in β ladder)trans71-160.2-176.800000113.7
199P93.8Very high85.5Confident7 Ų753.3 Ų53.35%0.04527%0.265CS..EExtended strand (participates in β ladder)cis-67.7145.25.226-29.1000112.6S140 V143 L157 A159 L171 I211 L212S140-P199 VanDerWaalsContact CB-CD 3.44Å; S140-P199 WeakPolarHBondContact OG-CD 3.26Å; V143-P199 HydrophobicContact CG2-CB 4.07Å; V143-P199 HydrophobicContact CG2-CG 3.8Å; V143-P199 WeakPolarHBondContact CG2-O 3.5Å; L157-P199 HydrophobicContact CD2-CB 4.41Å; A159-P199 HydrophobicContact CB-CG 4.26Å; L171-P199 HydrophobicContact CD2-CB 4.33Å; L171-P199 HydrophobicContact CD2-CG 4.33Å; P199-I211 HydrophobicContact CB-CG2 3.58Å; P199-L212 CarbonylContact C-O 3.28Å; P199-L212 WeakPolarHBondContact CA-O 3.16Å
200L92.7Very high86.2Confident35 Ų3548 Ų4818%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-125.9134172-61.8174.7000109.2I211 L212 L271L200-I211 CarbonylContact O-C 3.56Å; L200-I211 WeakPolarHBondContact O-CA 3.43Å; L200-L212 HydrophobicContact CB-CB 4.38Å; L200-L212 PolarHBondContact N-O 2.79Å; L200-L212 PolarHBondContact O-N 2.82Å; L200-L271 HydrophobicContact CD1-CD2 4.02Å; L200-L271 HydrophobicContact CD1-CG 4.07Å
201L93.4Very high87.3Confident18 Ų1848 Ų489%0.09424%0.237CC..EExtended strand (participates in β ladder)trans-80.5136.1172.1-177.166.5000109.8V143 L144 L145 Y209 I211 T294V143-L201 HydrophobicContact CG1-CB 3.65Å; L144-L201 VanDerWaalsContact O-CD2 3.3Å; L144-L201 WeakPolarHBondContact O-CD2 3.37Å; L145-L201 HydrophobicContact CD2-CD1 4.06Å; L145-L201 HydrophobicContact CD2-CD2 4.41Å; L201-Y209 HydrophobicContact CD1-CD1 3.87Å; L201-Y209 HydrophobicContact CD1-CG 4.38Å; L201-Y209 HydrophobicContact CD2-CD1 4.18Å; L201-Y209 HydrophobicContact CD2-CE1 4.47Å; L201-Y209 HydrophobicContact CG-CD1 4.21Å; L201-I211 HydrophobicContact CB-CD1 4.35Å; L201-I211 HydrophobicContact CD1-CD1 3.55Å; L201-T294 HydrophobicContact CB-CG2 3.88Å; L201-T294 HydrophobicContact CD2-CG2 3.77Å; L201-T294 HydrophobicContact CG-CG2 3.72Å; L201-T294 WeakPolarHBondContact O-CG2 3.41Å
202H93.1Very high88.6Confident0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-125.3134.1169.3174.455.4000109.8Y209 Y210 L212 W247 T294 W298 Q312H202-Y209 CarbonylContact O-C 3.51Å; H202-Y209 WeakPolarHBondContact O-CA 3.49Å; H202-Y210 PolarHBondContact N-O 3.28Å; H202-Y210 PolarHBondContact O-N 2.97Å; H202-L212 HydrophobicContact CB-CD1 3.43Å; H202-L212 VanDerWaalsContact CB-CD1 3.43Å; H202-W247 AromaticContact CD2-CE2 3.92Å; H202-W247 AromaticContact CD2-CH2 3.46Å; H202-W247 VanDerWaalsContact CD2-CH2 3.46Å; H202-W247 WeakPolarHBondContact CD2-CH2 3.35Å; H202-W247 AromaticContact CD2-CZ2 3.31Å; H202-W247 WeakPolarHBondContact CD2-CZ2 3.37Å; H202-W247 AromaticContact NE2-CE2 3.8Å; H202-W247 AromaticContact NE2-CH2 3.93Å; H202-W247 AromaticContact NE2-CZ2 3.29Å; H202-W247 VanDerWaalsContact NE2-CZ2 3.29Å; H202-W247 WeakPolarHBondContact NE2-CZ2 3.18Å; H202-T294 WeakPolarHBondContact CA-O 3.38Å; H202-T294 PolarHBondContact ND1-O 2.82Å; H202-W298 HydrophobicContact CB-CZ2 3.98Å; H202-W298 AromaticContact CD2-CH2 3.88Å; H202-W298 AromaticContact CD2-CZ2 3.93Å; H202-W298 AromaticContact CE1-CH2 3.7Å; H202-W298 AromaticContact CE1-CZ2 3.68Å; H202-W298 AromaticContact CG-CH2 3.91Å; H202-W298 AromaticContact CG-CZ2 3.47Å; H202-W298 VanDerWaalsContact CG-CZ2 3.47Å; H202-W298 AromaticContact ND1-CH2 3.81Å; H202-W298 AromaticContact ND1-CZ2 3.31Å; H202-W298 VanDerWaalsContact ND1-CZ2 3.31Å; H202-W298 WeakPolarHBondContact ND1-CZ2 3.48Å; H202-W298 AromaticContact NE2-CH2 3.76Å; H202-Q312 PolarHBondContact CE1-OE1 3.04Å
203E92.2Very high90Very high14 Ų1435 Ų357%0.06518%0.182CC..EExtended strand (participates in β ladder)trans-109.2122.2169.7-169.3-167.8162.400109.1G207 A208 Y209 T294 R295E203-G207 WeakPolarHBondContact OE1-CA 3.46Å; E203-A208 WeakPolarHBondContact CA-O 3.42Å; E203-Y209 HydrophobicContact CB-CD1 3.96Å; E203-Y209 HydrophobicContact CB-CE1 3.74Å; E203-Y209 HydrophobicContact CG-CD1 4.03Å; E203-Y209 HydrophobicContact CG-CE1 3.58Å; E203-T294 PolarHBondContact N-O 3.38Å; E203-R295 HydrophobicContact CB-CG 4.15Å; E203-R295 VanDerWaalsContact CD-NE 3.33Å; E203-R295 IonicContact OE1-CZ 3.54Å; E203-R295 IonicContact OE1-NE 3.64Å; E203-R295 IonicContact OE1-NH2 3.11Å; E203-R295 PolarHBondContact OE1-NH2 2.84Å; E203-R295 IonicContact OE2-CZ 3.29Å; E203-R295 IonicContact OE2-NE 3.51Å; E203-R295 PolarHBondContact OE2-NE 2.85Å; E203-R295 IonicContact OE2-NH2 2.82Å; E203-R295 PolarHBondContact OE2-NH2 3.48Å
204T91Very high90.7Very high3 Ų328.2 Ų28.22%0.01815%0.15CC..  trans-75.5168.3176.483.30000111.6H206 G207 A208 Y210 D244 W247T204-H206 PolarHBondContact O-N 2.88Å; T204-H206 PolarHBondContact OG1-N 3.39Å; T204-G207 PolarHBondContact O-N 2.79Å; T204-A208 HydrophobicContact CG2-CB 4.33Å; T204-A208 PolarHBondContact N-O 3.46Å; T204-Y210 HydrophobicContact CG2-CD2 3.6Å; T204-Y210 HydrophobicContact CG2-CE2 3.53Å; T204-D244 WeakPolarHBondContact CB-OD2 3.23Å; T204-D244 HydrophobicContact CG2-CB 3.86Å; T204-D244 WeakPolarHBondContact OG1-CB 3.37Å; T204-D244 PolarHBondContact OG1-OD2 2.94Å; T204-W247 HydrophobicContact CG2-CD2 4.35Å; T204-W247 HydrophobicContact CG2-CG 4.18Å
205Q86.6Confident91.1Very high126 Ų12627.8 Ų27.859%0.58914%0.138SC*.THydrogen-bonded Turntrans-58.1-20.4175.3-63.7-174.8-22.300113.9
206H87.9Confident91Very high108 Ų10822 Ų2250%0.512%0.115SC..THydrogen-bonded Turntrans-91.83.7176.6-60.397.6000113.2T204 A208 R242 D244T204-H206 PolarHBondContact O-N 2.88Å; T204-H206 PolarHBondContact OG1-N 3.39Å; H206-A208 VanDerWaalsContact C-N 3.34Å; H206-R242 PolarHBondContact O-NH1 3.03Å; H206-D244 IonicContact CE1-OD2 3Å; H206-D244 IonicContact CG-OD2 2.73Å; H206-D244 VanDerWaalsContact ND1-CG 3.35Å; H206-D244 IonicContact ND1-OD1 3.63Å; H206-D244 IonicContact ND1-OD2 2.63Å; H206-D244 PolarHBondContact ND1-OD2 3.39Å
207G89.1Confident91Very high7 Ų721.4 Ų21.47%0.07211%0.112CC..SBendtrans70.329.9-17700000113.3E203 T204 R242E203-G207 WeakPolarHBondContact OE1-CA 3.46Å; T204-G207 PolarHBondContact O-N 2.79Å; G207-R242 WeakPolarHBondContact O-CD 3.38Å
208A91.8Very high91Very high0 Ų021.1 Ų21.10%011%0.111CC..  trans-93141.9170.500000109.6E203 T204 H206 Y210 R242 D244E203-A208 WeakPolarHBondContact CA-O 3.42Å; T204-A208 HydrophobicContact CG2-CB 4.33Å; T204-A208 PolarHBondContact N-O 3.46Å; H206-A208 VanDerWaalsContact C-N 3.34Å; A208-Y210 HydrophobicContact CB-CE2 3.82Å; A208-R242 HydrophobicContact CB-CB 4.19Å; A208-R242 WeakPolarHBondContact CB-O 3.4Å; A208-D244 HydrophobicContact CB-CB 4.06Å
209Y93.4Very high91.1Very high42 Ų4221.9 Ų21.917%0.16511%0.108CC..EExtended strand (participates in β ladder)trans-106.2132.7-175.4-65.8-78.7000112P146 L201 H202 E203 L223 F239P146-Y209 HydrophobicContact CG-CD1 4.23Å; P146-Y209 HydrophobicContact CG-CD2 4.07Å; P146-Y209 HydrophobicContact CG-CE1 3.85Å; P146-Y209 HydrophobicContact CG-CE2 3.69Å; P146-Y209 HydrophobicContact CG-CG 4.32Å; L201-Y209 HydrophobicContact CD1-CD1 3.87Å; L201-Y209 HydrophobicContact CD1-CG 4.38Å; L201-Y209 HydrophobicContact CD2-CD1 4.18Å; L201-Y209 HydrophobicContact CD2-CE1 4.47Å; L201-Y209 HydrophobicContact CG-CD1 4.21Å; H202-Y209 CarbonylContact O-C 3.51Å; H202-Y209 WeakPolarHBondContact O-CA 3.49Å; E203-Y209 HydrophobicContact CB-CD1 3.96Å; E203-Y209 HydrophobicContact CB-CE1 3.74Å; E203-Y209 HydrophobicContact CG-CD1 4.03Å; E203-Y209 HydrophobicContact CG-CE1 3.58Å; Y209-L223 HydrophobicContact CG-CD2 4.29Å; Y209-L223 PolarHBondContact O-N 2.86Å; Y209-F239 HydrophobicContact CD2-CD2 4.28Å; Y209-F239 AromaticContact CE2-CD2 3.91Å; Y209-F239 HydrophobicContact CE2-CD2 3.91Å
210Y94.4Very high91.1Very high0 Ų021.6 Ų21.60%011%0.106CC..EExtended strand (participates in β ladder)trans-129.4144.4177.8-67.2-93.8000110.4H202 T204 A208 I221 D244 W247 E248 I259H202-Y210 PolarHBondContact N-O 3.28Å; H202-Y210 PolarHBondContact O-N 2.97Å; T204-Y210 HydrophobicContact CG2-CD2 3.6Å; T204-Y210 HydrophobicContact CG2-CE2 3.53Å; A208-Y210 HydrophobicContact CB-CE2 3.82Å; Y210-I221 CarbonylContact C-O 3.53Å; Y210-I221 WeakPolarHBondContact CA-O 3.35Å; Y210-D244 HydrophobicContact CE2-CB 4.2Å; Y210-D244 PolarHBondContact OH-N 3.17Å; Y210-D244 VanDerWaalsContact OH-N 3.11Å; Y210-W247 AromaticContact CD1-CE3 3.86Å; Y210-W247 HydrophobicContact CD1-CE3 3.86Å; Y210-W247 HydrophobicContact CD1-CZ3 4.47Å; Y210-W247 HydrophobicContact CD2-CD2 4.27Å; Y210-W247 HydrophobicContact CD2-CE3 4.1Å; Y210-W247 HydrophobicContact CE1-CB 4.03Å; Y210-W247 HydrophobicContact CE1-CE3 4.2Å; Y210-W247 HydrophobicContact CE2-CB 4Å; Y210-W247 HydrophobicContact CE2-CD2 4.31Å; Y210-W247 HydrophobicContact CE2-CE3 4.42Å; Y210-W247 HydrophobicContact CE2-CG 4.12Å; Y210-W247 HydrophobicContact CG-CD2 4.44Å; Y210-W247 AromaticContact CG-CE3 3.81Å; Y210-W247 HydrophobicContact CG-CE3 3.81Å; Y210-W247 HydrophobicContact CG-CZ3 4.2Å; Y210-E248 WeakPolarHBondContact CE1-OE1 3.44Å; Y210-E248 PolarHBondContact OH-OE1 3.43Å; Y210-I259 HydrophobicContact CD1-CD1 3.96Å; Y210-I259 HydrophobicContact CE1-CD1 3.63Å
211I94.8Very high91.1Very high0 Ų019.9 Ų19.90%010%0.097CC..EExtended strand (participates in β ladder)trans-105120.3173.6-54.7-57.3000108.6L145 L157 L171 P199 L200 L201 F213 A220 I221 I226L145-I211 HydrophobicContact CD2-CD1 4Å; L157-I211 HydrophobicContact CD2-CB 4.37Å; L157-I211 HydrophobicContact CD2-CD1 3.65Å; L157-I211 HydrophobicContact CD2-CG1 3.67Å; L157-I211 HydrophobicContact CD2-CG2 3.83Å; L171-I211 HydrophobicContact CD1-CG2 4.23Å; P199-I211 HydrophobicContact CB-CG2 3.58Å; L200-I211 CarbonylContact O-C 3.56Å; L200-I211 WeakPolarHBondContact O-CA 3.43Å; L201-I211 HydrophobicContact CB-CD1 4.35Å; L201-I211 HydrophobicContact CD1-CD1 3.55Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; I211-A220 CarbonylContact O-C 3.55Å; I211-A220 WeakPolarHBondContact O-CA 3.48Å; I211-I221 HydrophobicContact CB-CG2 4.28Å; I211-I221 PolarHBondContact N-O 3.3Å; I211-I221 PolarHBondContact O-N 3.35Å; I211-I226 HydrophobicContact CB-CD1 3.99Å; I211-I226 HydrophobicContact CG1-CD1 3.48Å; I211-I226 VanDerWaalsContact CG1-CD1 3.48Å
212L94.3Very high91.1Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-95.5127.9176.1-70.971.1000109.4P199 L200 H202 Q219 A220 L271 W298P199-L212 CarbonylContact C-O 3.28Å; P199-L212 WeakPolarHBondContact CA-O 3.16Å; L200-L212 HydrophobicContact CB-CB 4.38Å; L200-L212 PolarHBondContact N-O 2.79Å; L200-L212 PolarHBondContact O-N 2.82Å; H202-L212 HydrophobicContact CB-CD1 3.43Å; H202-L212 VanDerWaalsContact CB-CD1 3.43Å; L212-Q219 CarbonylContact C-O 3.56Å; L212-Q219 VanDerWaalsContact CA-O 3.31Å; L212-Q219 WeakPolarHBondContact CA-O 3.34Å; L212-A220 HydrophobicContact CD1-CB 4.35Å; L212-A220 HydrophobicContact CG-CB 4.13Å; L212-L271 HydrophobicContact CB-CD2 4.35Å; L212-L271 HydrophobicContact CD2-CD2 4.1Å; L212-W298 HydrophobicContact CD2-CD2 4.39Å; L212-W298 HydrophobicContact CD2-CH2 4.39Å; L212-W298 HydrophobicContact CD2-CZ2 3.91Å
213F93.1Very high91.2Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-162.3165179.967.6-73.7000112.3L169 L171 F188 L190 I197 I211 Q219 I221 F258L169-F213 HydrophobicContact CD2-CD2 3.66Å; L169-F213 HydrophobicContact CD2-CE2 4.11Å; L171-F213 HydrophobicContact CD1-CD1 4.44Å; L171-F213 HydrophobicContact CD1-CE1 4.18Å; L171-F213 HydrophobicContact CD1-CZ 4.3Å; F188-F213 HydrophobicContact CB-CE2 4.17Å; F188-F213 HydrophobicContact CB-CZ 4.5Å; F188-F213 HydrophobicContact CD1-CZ 4.02Å; F188-F213 HydrophobicContact CD2-CE2 4.05Å; F188-F213 AromaticContact CD2-CZ 3.99Å; F188-F213 HydrophobicContact CD2-CZ 3.99Å; F188-F213 HydrophobicContact CE1-CZ 4.25Å; F188-F213 HydrophobicContact CE2-CZ 4.23Å; F188-F213 AromaticContact CG-CE2 3.96Å; F188-F213 HydrophobicContact CG-CE2 3.96Å; F188-F213 AromaticContact CG-CZ 3.88Å; F188-F213 HydrophobicContact CG-CZ 3.88Å; F188-F213 HydrophobicContact CZ-CZ 4.34Å; L190-F213 HydrophobicContact CD1-CD2 4.14Å; L190-F213 HydrophobicContact CD1-CE2 4.24Å; L190-F213 HydrophobicContact CD2-CD2 4.3Å; L190-F213 HydrophobicContact CD2-CE2 3.89Å; L190-F213 HydrophobicContact CG-CE2 4.43Å; I197-F213 CarbonylContact O-C 3.41Å; I197-F213 WeakPolarHBondContact O-CA 3.37Å; I197-F213 WeakPolarHBondContact O-CB 3.48Å; I211-F213 HydrophobicContact CG2-CD1 4.13Å; F213-Q219 PolarHBondContact N-O 3.4Å; F213-Q219 PolarHBondContact O-N 2.82Å; F213-Q219 VanDerWaalsContact O-O 3.09Å; F213-I221 HydrophobicContact CE1-CB 4.38Å; F213-I221 HydrophobicContact CE1-CG2 3.7Å; F213-I221 HydrophobicContact CZ-CG2 4.45Å; F213-F258 HydrophobicContact CZ-CE1 4.1Å
214G90Very high91.2Very high0 Ų019.5 Ų19.50%010%0.095CC..EExtended strand (participates in β ladder)trans169.1177.4170.900000114.5I197 N217I197-G214 PolarHBondContact N-O 2.93Å; I197-G214 PolarHBondContact O-N 3.02Å; G214-N217 CarbonylContact C-O 3.59Å; G214-N217 VanDerWaalsContact CA-O 3.27Å; G214-N217 WeakPolarHBondContact CA-O 3.41Å
215L87.3Confident91.2Very high30 Ų3020.7 Ų20.716%0.15710%0.101CC..EExtended strand (participates in β ladder)trans-122.995.5180-75.9167.7000108.9D168 L190 G192 Q193 G194 L196 N217D168-L215 HydrophobicContact CB-CD1 4.01Å; L190-L215 HydrophobicContact CB-CB 4.46Å; L190-L215 HydrophobicContact CB-CD1 4.04Å; L190-L215 HydrophobicContact CD1-CB 4.36Å; L190-L215 HydrophobicContact CD1-CD1 3.8Å; L190-L215 HydrophobicContact CD1-CG 3.84Å; G192-L215 CarbonylContact C-O 3.59Å; G192-L215 WeakPolarHBondContact CA-O 3.48Å; Q193-L215 PolarHBondContact N-O 2.88Å; G194-L215 WeakPolarHBondContact O-CD2 3.27Å; L196-L215 HydrophobicContact CB-CD2 4.02Å; L196-L215 HydrophobicContact CD1-CD2 4.22Å; L196-L215 HydrophobicContact CD1-CG 4.47Å; L215-N217 PolarHBondContact N-OD1 3.08Å; L215-N217 PolarHBondContact O-N 3.4Å; L215-N217 PolarHBondContact O-OD1 3.25Å
216G82.9Confident91.6Very high7 Ų714.7 Ų14.77%0.0727%0.073CC..SBendtrans71.7-19-173.100000115.2V268G216-V268 PolarHBondContact O-N 3.21Å
217N88.8Confident91.8Very high23 Ų2310.7 Ų10.712%0.1235%0.054CC..SBendtrans-113.1173.8163.768.5-18.6000110.2G214 L215 Y262G214-N217 CarbonylContact C-O 3.59Å; G214-N217 VanDerWaalsContact CA-O 3.27Å; G214-N217 WeakPolarHBondContact CA-O 3.41Å; L215-N217 PolarHBondContact N-OD1 3.08Å; L215-N217 PolarHBondContact O-N 3.4Å; L215-N217 PolarHBondContact O-OD1 3.25Å; N217-Y262 WeakPolarHBondContact CB-O 3Å
218V91.1Very high92Very high0 Ų012.5 Ų12.50%06%0.064CC..EExtended strand (participates in β ladder)trans-130.5128.8174.5-177.60000109.8I197 I261 Y262 V268 L271 L300I197-V218 HydrophobicContact CG2-CG2 4.1Å; V218-I261 HydrophobicContact CB-CB 4.02Å; V218-I261 HydrophobicContact CB-CG2 4.44Å; V218-I261 HydrophobicContact CG1-CB 3.69Å; V218-I261 HydrophobicContact CG1-CG1 3.95Å; V218-I261 HydrophobicContact CG1-CG2 4.01Å; V218-I261 WeakPolarHBondContact O-CB 3.46Å; V218-I261 PolarHBondContact O-N 2.82Å; V218-Y262 PolarHBondContact N-O 3.14Å; V218-Y262 PolarHBondContact O-N 3.19Å; V218-V268 HydrophobicContact CG2-CB 4.3Å; V218-V268 HydrophobicContact CG2-CG1 4.02Å; V218-V268 HydrophobicContact CG2-CG2 4.03Å; V218-L271 HydrophobicContact CG1-CD2 3.74Å; V218-L271 HydrophobicContact CG2-CD2 4.37Å; V218-L300 HydrophobicContact CG2-CD1 4.24Å
219Q91.8Very high92Very high40 Ų4017 Ų1719%0.1878%0.08CC..EExtended strand (participates in β ladder)trans-126.5165.1175.9-62.6-177.2-34.400109.9L212 F213 I259L212-Q219 CarbonylContact C-O 3.56Å; L212-Q219 VanDerWaalsContact CA-O 3.31Å; L212-Q219 WeakPolarHBondContact CA-O 3.34Å; F213-Q219 PolarHBondContact N-O 3.4Å; F213-Q219 PolarHBondContact O-N 2.82Å; F213-Q219 VanDerWaalsContact O-O 3.09Å; Q219-I259 CarbonylContact C-O 3.56Å; Q219-I259 VanDerWaalsContact CA-O 3.27Å; Q219-I259 WeakPolarHBondContact CA-O 3.45Å
220A93Very high92Very high0 Ų015 Ų150%07%0.073CC..EExtended strand (participates in β ladder)trans-130.7149.7169.700000111.8I211 L212 W247 F258 I259 I261I211-A220 CarbonylContact O-C 3.55Å; I211-A220 WeakPolarHBondContact O-CA 3.48Å; L212-A220 HydrophobicContact CD1-CB 4.35Å; L212-A220 HydrophobicContact CG-CB 4.13Å; A220-W247 HydrophobicContact CB-CZ3 3.85Å; A220-F258 CarbonylContact O-C 3.56Å; A220-F258 VanDerWaalsContact O-CA 3.3Å; A220-F258 WeakPolarHBondContact O-CA 3.32Å; A220-I259 HydrophobicContact CB-CB 4.3Å; A220-I259 PolarHBondContact N-O 3.34Å; A220-I259 PolarHBondContact O-N 2.69Å; A220-I261 HydrophobicContact CB-CD1 3.91Å; A220-I261 HydrophobicContact CB-CG1 4.09Å
221I93.2Very high92Very high0 Ų017.3 Ų17.30%09%0.085CC..EExtended strand (participates in β ladder)trans-133.1145.1171.9-170.4171.5000109.1F188 Y210 I211 F213 D225 I226 F258F188-I221 HydrophobicContact CE1-CD1 3.65Å; F188-I221 HydrophobicContact CZ-CD1 3.91Å; Y210-I221 CarbonylContact C-O 3.53Å; Y210-I221 WeakPolarHBondContact CA-O 3.35Å; I211-I221 HydrophobicContact CB-CG2 4.28Å; I211-I221 PolarHBondContact N-O 3.3Å; I211-I221 PolarHBondContact O-N 3.35Å; F213-I221 HydrophobicContact CE1-CB 4.38Å; F213-I221 HydrophobicContact CE1-CG2 3.7Å; F213-I221 HydrophobicContact CZ-CG2 4.45Å; I221-D225 HydrophobicContact CD1-CB 4.07Å; I221-D225 HydrophobicContact CG1-CB 3.9Å; I221-I226 HydrophobicContact CD1-CG1 4.22Å; I221-I226 HydrophobicContact CG1-CG1 4.41Å; I221-I226 HydrophobicContact CG2-CD1 3.58Å; I221-I226 HydrophobicContact CG2-CG1 3.66Å; I221-F258 HydrophobicContact CB-CD1 4.04Å; I221-F258 HydrophobicContact CB-CE1 4.06Å; I221-F258 HydrophobicContact CD1-CD1 4.4Å; I221-F258 HydrophobicContact CD1-CE1 3.73Å; I221-F258 HydrophobicContact CD1-CZ 4.12Å; I221-F258 HydrophobicContact CG1-CD1 4.49Å; I221-F258 HydrophobicContact CG1-CE1 4.28Å
222S93.8Very high91.7Very high1 Ų123.5 Ų23.51%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-68.6143.8176.173.20000110.8Q224 D225 I226S222-Q224 PolarHBondContact O-N 2.99Å; S222-D225 PolarHBondContact O-N 2.83Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 WeakPolarHBondContact OG-CB 3.48Å; S222-D225 PolarHBondContact OG-N 2.86Å; S222-D225 VanDerWaalsContact OG-N 3.09Å; S222-D225 PolarHBondContact OG-OD1 2.77Å; S222-D225 PolarHBondContact OG-OD2 2.81Å; S222-I226 PolarHBondContact O-N 3.08Å; S222-I226 VanDerWaalsContact O-N 3.15Å
223L94.3Very high91.4Very high1 Ų130.6 Ų30.61%0.00515%0.149CC..Hα-helixtrans-59.8-32.5174.5-177.558.5000111.2L145 L148 Y209 I226 Y227L145-L223 HydrophobicContact CD1-CD1 3.89Å; L145-L223 HydrophobicContact CD2-CD1 4.19Å; L145-L223 HydrophobicContact CD2-CD2 4.44Å; L148-L223 HydrophobicContact CD2-CD2 4.14Å; Y209-L223 HydrophobicContact CG-CD2 4.29Å; Y209-L223 PolarHBondContact O-N 2.86Å; L223-I226 PolarHBondContact O-N 3.36Å; L223-Y227 WeakPolarHBondContact O-CB 3.28Å; L223-Y227 PolarHBondContact O-N 2.81Å
224Q92.1Very high90.8Very high22 Ų2236.8 Ų36.810%0.10318%0.179CC..Hα-helixtrans-58-49.3172-164.8-179.91000112.2S222 I226 Y227 V228 P235 V240 L241 K243S222-Q224 PolarHBondContact O-N 2.99Å; Q224-I226 VanDerWaalsContact C-N 3.28Å; Q224-I226 PolarHBondContact O-N 2.89Å; Q224-Y227 PolarHBondContact O-N 2.9Å; Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.3Å; Q224-P235 HydrophobicContact CG-CG 4.17Å; Q224-V240 WeakPolarHBondContact CB-O 3.49Å; Q224-V240 WeakPolarHBondContact CG-O 3.3Å; Q224-L241 VanDerWaalsContact NE2-CD2 3.31Å; Q224-L241 PolarHBondContact OE1-O 2.98Å; Q224-K243 VanDerWaalsContact OE1-CG 3.3Å
225D92.3Very high90.1Very high28 Ų2837 Ų3715%0.1518%0.181CC..Hα-helixtrans-65.9-34.2-178.2-64.8-29.8000110.6I221 S222 R229 K243 K251I221-D225 HydrophobicContact CD1-CB 4.07Å; I221-D225 HydrophobicContact CG1-CB 3.9Å; S222-D225 PolarHBondContact O-N 2.83Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 WeakPolarHBondContact OG-CB 3.48Å; S222-D225 PolarHBondContact OG-N 2.86Å; S222-D225 VanDerWaalsContact OG-N 3.09Å; S222-D225 PolarHBondContact OG-OD1 2.77Å; S222-D225 PolarHBondContact OG-OD2 2.81Å; D225-R229 WeakPolarHBondContact O-CB 3.03Å; D225-R229 WeakPolarHBondContact O-CD 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.31Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 VanDerWaalsContact O-N 3.17Å; D225-K243 IonicContact OD1-NZ 3.44Å; D225-K243 PolarHBondContact OD1-NZ 2.87Å; D225-K243 IonicContact OD2-NZ 3.19Å; D225-K243 PolarHBondContact OD2-NZ 3.32Å; D225-K251 IonicContact OD2-NZ 2.75Å; D225-K251 PolarHBondContact OD2-NZ 2.95Å; D225-K251 VanDerWaalsContact OD2-NZ 3.09Å
226I93.8Very high89.5Confident0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-63.7-50.9171.1-62.6172.9000110.3L171 L173 V186 I211 I221 S222 L223 Q224 V228 R229 A230L171-I226 HydrophobicContact CD1-CD1 3.75Å; L171-I226 HydrophobicContact CD1-CG1 4.48Å; L173-I226 HydrophobicContact CD1-CG2 4.26Å; L173-I226 HydrophobicContact CD2-CG2 4.34Å; L173-I226 HydrophobicContact CG-CG2 4.3Å; V186-I226 HydrophobicContact CG2-CG2 4.09Å; I211-I226 HydrophobicContact CB-CD1 3.99Å; I211-I226 HydrophobicContact CG1-CD1 3.48Å; I211-I226 VanDerWaalsContact CG1-CD1 3.48Å; I221-I226 HydrophobicContact CD1-CG1 4.22Å; I221-I226 HydrophobicContact CG1-CG1 4.41Å; I221-I226 HydrophobicContact CG2-CD1 3.58Å; I221-I226 HydrophobicContact CG2-CG1 3.66Å; S222-I226 PolarHBondContact O-N 3.08Å; S222-I226 VanDerWaalsContact O-N 3.15Å; L223-I226 PolarHBondContact O-N 3.36Å; Q224-I226 VanDerWaalsContact C-N 3.28Å; Q224-I226 PolarHBondContact O-N 2.89Å; I226-V228 PolarHBondContact O-N 2.8Å; I226-R229 CarbonylContact O-C 3.12Å; I226-R229 PolarHBondContact O-N 3.27Å; I226-A230 WeakPolarHBondContact O-CB 3.5Å; I226-A230 PolarHBondContact O-N 2.97Å
227Y93.4Very high89Confident24 Ų2445.9 Ų45.99%0.09422%0.222CC..Hα-helixtrans-58-49.2-178.2-176.3-78.7000111.6L148 L223 Q224 R229 A230 L231 P235 V240L148-Y227 HydrophobicContact CB-CD2 4.38Å; L148-Y227 HydrophobicContact CB-CE2 4.18Å; L148-Y227 HydrophobicContact CD1-CD2 4.38Å; L223-Y227 WeakPolarHBondContact O-CB 3.28Å; L223-Y227 PolarHBondContact O-N 2.81Å; Q224-Y227 PolarHBondContact O-N 2.9Å; Y227-R229 VanDerWaalsContact C-N 3.28Å; Y227-R229 PolarHBondContact O-N 3.03Å; Y227-A230 PolarHBondContact O-N 2.9Å; Y227-A230 VanDerWaalsContact O-N 3.1Å; Y227-L231 HydrophobicContact CD1-CD1 3.98Å; Y227-L231 HydrophobicContact CD2-CD1 3.81Å; Y227-L231 HydrophobicContact CE1-CB 4.38Å; Y227-L231 HydrophobicContact CE1-CD1 3.91Å; Y227-L231 HydrophobicContact CE1-CD2 4.29Å; Y227-L231 HydrophobicContact CE1-CG 4.43Å; Y227-L231 HydrophobicContact CE2-CD1 3.74Å; Y227-L231 HydrophobicContact CE2-CD2 4.35Å; Y227-L231 HydrophobicContact CG-CD1 3.93Å; Y227-L231 VanDerWaalsContact O-CD1 3.26Å; Y227-L231 WeakPolarHBondContact O-CD1 3.34Å; Y227-L231 PolarHBondContact O-N 3.22Å; Y227-P235 HydrophobicContact CD1-CB 3.88Å; Y227-P235 HydrophobicContact CD1-CG 3.49Å; Y227-P235 VanDerWaalsContact CD1-CG 3.49Å; Y227-P235 VanDerWaalsContact CE1-CA 3.42Å; Y227-P235 HydrophobicContact CE1-CB 3.84Å; Y227-P235 HydrophobicContact CE1-CG 3.94Å; Y227-P235 HydrophobicContact CG-CB 4.35Å; Y227-P235 HydrophobicContact CG-CG 3.96Å; Y227-V240 HydrophobicContact CD2-CG1 4.46Å; Y227-V240 HydrophobicContact CG-CG1 4.31Å
228V92.2Very high88.2Confident45 Ų4555.1 Ų55.127%0.27326%0.255SS..Hα-helixtrans-59.8-41.7179.21720000110.8Q224 I226 A230 D232 K233 M234Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.3Å; I226-V228 PolarHBondContact O-N 2.8Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-D232 VanDerWaalsContact O-CA 3.25Å; V228-D232 WeakPolarHBondContact O-CA 3.09Å; V228-D232 PolarHBondContact O-N 2.85Å; V228-K233 WeakPolarHBondContact CA-O 3.41Å; V228-M234 HydrophobicContact CG2-SD 3.8Å
229R92.6Very high87.3Confident94 Ų9457.7 Ų57.736%0.35527%0.267SS..Hα-helixtrans-71.3-24.4177.3-74.6177.1-176.9-167.31114.1H184 V186 D225 I226 Y227 S257H184-R229 PolarHBondContact CE1-O 2.88Å; H184-R229 PolarHBondContact NE2-O 2.87Å; V186-R229 HydrophobicContact CG1-CB 3.76Å; V186-R229 HydrophobicContact CG1-CG 4.44Å; V186-R229 HydrophobicContact CG2-CB 3.99Å; D225-R229 WeakPolarHBondContact O-CB 3.03Å; D225-R229 WeakPolarHBondContact O-CD 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.31Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 VanDerWaalsContact O-N 3.17Å; I226-R229 CarbonylContact O-C 3.12Å; I226-R229 PolarHBondContact O-N 3.27Å; Y227-R229 VanDerWaalsContact C-N 3.28Å; Y227-R229 PolarHBondContact O-N 3.03Å; R229-S257 PolarHBondContact NH1-OG 2.04Å; R229-S257 PolarHBondContact NH2-OG 2.89Å
230A93.6Very high86.5Confident1 Ų155.9 Ų55.91%0.00826%0.259CS..Hα-helixtrans-86-31.5-179.900000112.3L173 G183 H184 V186 I226 Y227 V228L173-A230 HydrophobicContact CD1-CB 3.86Å; G183-A230 CarbonylContact C-O 3.59Å; G183-A230 WeakPolarHBondContact CA-O 3.42Å; H184-A230 PolarHBondContact CD2-O 3.41Å; H184-A230 PolarHBondContact N-O 2.76Å; H184-A230 WeakPolarHBondContact O-CB 3.22Å; V186-A230 HydrophobicContact CG2-CB 3.69Å; I226-A230 WeakPolarHBondContact O-CB 3.5Å; I226-A230 PolarHBondContact O-N 2.97Å; Y227-A230 PolarHBondContact O-N 2.9Å; Y227-A230 VanDerWaalsContact O-N 3.1Å; V228-A230 VanDerWaalsContact C-N 3.33Å
231L93.3Very high85.7Confident47 Ų4759.3 Ų59.325%0.24628%0.276CS..Hα-helixtrans-111.5-6.6-174.6-69.896.1000114.6I182 Y227 K233I182-L231 HydrophobicContact CG2-CD1 4.11Å; I182-L231 HydrophobicContact CG2-CD2 4.28Å; Y227-L231 HydrophobicContact CD1-CD1 3.98Å; Y227-L231 HydrophobicContact CD2-CD1 3.81Å; Y227-L231 HydrophobicContact CE1-CB 4.38Å; Y227-L231 HydrophobicContact CE1-CD1 3.91Å; Y227-L231 HydrophobicContact CE1-CD2 4.29Å; Y227-L231 HydrophobicContact CE1-CG 4.43Å; Y227-L231 HydrophobicContact CE2-CD1 3.74Å; Y227-L231 HydrophobicContact CE2-CD2 4.35Å; Y227-L231 HydrophobicContact CG-CD1 3.93Å; Y227-L231 VanDerWaalsContact O-CD1 3.26Å; Y227-L231 WeakPolarHBondContact O-CD1 3.34Å; Y227-L231 PolarHBondContact O-N 3.22Å; L231-K233 HydrophobicContact CB-CB 4.37Å; L231-K233 WeakPolarHBondContact O-CG 3.46Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.14Å
232D90Very high85.4Confident131 Ų13165.7 Ų65.770%0.70130%0.3SS*.SBendtrans52.328.7-169.7-65.1-47.7000113.2H184 V228H184-D232 IonicContact NE2-OD2 3.23Å; V228-D232 VanDerWaalsContact O-CA 3.25Å; V228-D232 WeakPolarHBondContact O-CA 3.09Å; V228-D232 PolarHBondContact O-N 2.85Å
233K87.1Confident85.2Confident148 Ų14869.3 Ų69.364%0.64332%0.316SS*.SBendtrans-143.9150-174.4-69.4179-174.2-178.90111.2V228 L231V228-K233 WeakPolarHBondContact CA-O 3.41Å; L231-K233 HydrophobicContact CB-CB 4.37Å; L231-K233 WeakPolarHBondContact O-CG 3.46Å; L231-K233 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact O-N 3.14Å
234M79.6Confident85Confident131 Ų13169.6 Ų69.665%0.64532%0.318SS*.  trans-69.4141.8171.2-79-66.3-161.100110.7V228 E236 L241V228-M234 HydrophobicContact CG2-SD 3.8Å; M234-E236 PolarHBondContact O-N 2.91Å; M234-L241 HydrophobicContact SD-CD2 4.47Å
235P77.1Confident84.8Confident5 Ų575 Ų753%0.03235%0.346CS..  trans-60.3134.4171.8-10.117.2000111Q224 Y227 T237 V240 L241Q224-P235 HydrophobicContact CG-CG 4.17Å; Y227-P235 HydrophobicContact CD1-CB 3.88Å; Y227-P235 HydrophobicContact CD1-CG 3.49Å; Y227-P235 VanDerWaalsContact CD1-CG 3.49Å; Y227-P235 VanDerWaalsContact CE1-CA 3.42Å; Y227-P235 HydrophobicContact CE1-CB 3.84Å; Y227-P235 HydrophobicContact CE1-CG 3.94Å; Y227-P235 HydrophobicContact CG-CB 4.35Å; Y227-P235 HydrophobicContact CG-CG 3.96Å; P235-T237 VanDerWaalsContact C-N 3.29Å; P235-V240 HydrophobicContact CB-CB 3.7Å; P235-V240 HydrophobicContact CB-CG1 3.69Å; P235-V240 HydrophobicContact CG-CB 3.95Å; P235-V240 HydrophobicContact CG-CG1 3.46Å; P235-V240 VanDerWaalsContact CG-CG1 3.46Å; P235-L241 HydrophobicContact CB-CD2 4.15Å; P235-L241 HydrophobicContact CB-CG 4.39Å; P235-L241 HydrophobicContact CG-CD2 3.84Å; P235-L241 HydrophobicContact CG-CG 4.48Å
236E73.4Confident84.7Confident184 Ų18479.5 Ų79.586%0.8636%0.361SS*.SBendtrans-75.6-26.6170.4-62.5-174.8177.800110.8M234 R238M234-E236 PolarHBondContact O-N 2.91Å; E236-R238 PolarHBondContact O-N 3.06Å
237T73.6Confident84.5Confident38 Ų3879.6 Ų79.623%0.23336%0.361CS..SBendtrans-79.6117.6-175.3-320000111.7P235 F239 V240P235-T237 VanDerWaalsContact C-N 3.29Å; T237-F239 VanDerWaalsContact C-N 3.25Å; T237-F239 HydrophobicContact CG2-CD1 3.49Å; T237-F239 VanDerWaalsContact CG2-CD1 3.49Å; T237-F239 HydrophobicContact CG2-CE1 3.19Å; T237-F239 HydrophobicContact CG2-CZ 3.99Å; T237-F239 PolarHBondContact O-N 2.75Å; T237-F239 VanDerWaalsContact O-N 3.11Å; T237-V240 PolarHBondContact O-N 3.29Å; T237-V240 VanDerWaalsContact O-N 3.1Å
238R71.8Confident84.3Confident217 Ų21780.1 Ų80.182%0.81937%0.365SS*.THydrogen-bonded Turntrans-58-28.6-172.1-71-173178.7-174.10.4115.3E236E236-R238 PolarHBondContact O-N 3.06Å
239F71.3Confident84.1Confident54 Ų5484.3 Ų84.324%0.23739%0.386CS..THydrogen-bonded Turntrans-77-33.1-179.773.7-103.4000111.9P146 D147 Y209 T237 L241 R242P146-F239 HydrophobicContact CB-CD2 4.15Å; P146-F239 HydrophobicContact CB-CE1 4.48Å; P146-F239 HydrophobicContact CB-CE2 3.26Å; P146-F239 HydrophobicContact CB-CZ 3.46Å; P146-F239 VanDerWaalsContact CB-CZ 3.46Å; P146-F239 HydrophobicContact CG-CD2 4.47Å; P146-F239 HydrophobicContact CG-CE2 3.89Å; D147-F239 WeakPolarHBondContact O-CZ 3.15Å; Y209-F239 HydrophobicContact CD2-CD2 4.28Å; Y209-F239 AromaticContact CE2-CD2 3.91Å; Y209-F239 HydrophobicContact CE2-CD2 3.91Å; T237-F239 VanDerWaalsContact C-N 3.25Å; T237-F239 HydrophobicContact CG2-CD1 3.49Å; T237-F239 VanDerWaalsContact CG2-CD1 3.49Å; T237-F239 HydrophobicContact CG2-CE1 3.19Å; T237-F239 HydrophobicContact CG2-CZ 3.99Å; T237-F239 PolarHBondContact O-N 2.75Å; T237-F239 VanDerWaalsContact O-N 3.11Å; F239-L241 PolarHBondContact O-N 3.35Å; F239-R242 WeakPolarHBondContact O-CB 3.3Å; F239-R242 PolarHBondContact O-N 3.21Å; F239-R242 VanDerWaalsContact O-N 3.14Å
240V75.5Confident83.7Confident3 Ų382.6 Ų82.62%0.01838%0.383CS..THydrogen-bonded Turntrans-66.5-24.9176-174.20000110.4L148 Q224 Y227 P235 T237 R242L148-V240 HydrophobicContact CD2-CG2 3.7Å; Q224-V240 WeakPolarHBondContact CB-O 3.49Å; Q224-V240 WeakPolarHBondContact CG-O 3.3Å; Y227-V240 HydrophobicContact CD2-CG1 4.46Å; Y227-V240 HydrophobicContact CG-CG1 4.31Å; P235-V240 HydrophobicContact CB-CB 3.7Å; P235-V240 HydrophobicContact CB-CG1 3.69Å; P235-V240 HydrophobicContact CG-CB 3.95Å; P235-V240 HydrophobicContact CG-CG1 3.46Å; P235-V240 VanDerWaalsContact CG-CG1 3.46Å; T237-V240 PolarHBondContact O-N 3.29Å; T237-V240 VanDerWaalsContact O-N 3.1Å; V240-R242 VanDerWaalsContact C-N 3.28Å; V240-R242 PolarHBondContact O-N 3.3Å
241L76.5Confident83.4Confident71 Ų7184.7 Ų84.737%0.37239%0.391SS..THydrogen-bonded Turntrans-76.3-7.6176.5-64.1174.2000114.3Q224 M234 P235 F239Q224-L241 VanDerWaalsContact NE2-CD2 3.31Å; Q224-L241 PolarHBondContact OE1-O 2.98Å; M234-L241 HydrophobicContact SD-CD2 4.47Å; P235-L241 HydrophobicContact CB-CD2 4.15Å; P235-L241 HydrophobicContact CB-CG 4.39Å; P235-L241 HydrophobicContact CG-CD2 3.84Å; P235-L241 HydrophobicContact CG-CG 4.48Å; F239-L241 PolarHBondContact O-N 3.35Å
242R86.8Confident82.1Confident135 Ų13587 Ų8751%0.50940%0.404SS..  trans-76.7131.9-176.7-68.4-176.7-179.5-173.95.1111H206 G207 A208 F239 V240H206-R242 PolarHBondContact O-NH1 3.03Å; G207-R242 WeakPolarHBondContact O-CD 3.38Å; A208-R242 HydrophobicContact CB-CB 4.19Å; A208-R242 WeakPolarHBondContact CB-O 3.4Å; F239-R242 WeakPolarHBondContact O-CB 3.3Å; F239-R242 PolarHBondContact O-N 3.21Å; F239-R242 VanDerWaalsContact O-N 3.14Å; V240-R242 VanDerWaalsContact C-N 3.28Å; V240-R242 PolarHBondContact O-N 3.3Å
243K88.2Confident80.6Confident77 Ų7786.2 Ų86.234%0.33542%0.416SS..  trans-124.2145.1169.5-70.9-173.5164.6-165.40109.9Q224 D225 E248Q224-K243 VanDerWaalsContact OE1-CG 3.3Å; D225-K243 IonicContact OD1-NZ 3.44Å; D225-K243 PolarHBondContact OD1-NZ 2.87Å; D225-K243 IonicContact OD2-NZ 3.19Å; D225-K243 PolarHBondContact OD2-NZ 3.32Å; K243-E248 HydrophobicContact CB-CG 3.91Å; K243-E248 HydrophobicContact CD-CG 4.19Å; K243-E248 HydrophobicContact CG-CG 4.48Å; K243-E248 IonicContact NZ-OE2 2.76Å
244D90.6Very high79Confident7 Ų783.1 Ų83.14%0.03741%0.413CS..  trans-97114.1175.3-170-39.3000109.5T204 H206 A208 Y210 R246 W247 E248T204-D244 WeakPolarHBondContact CB-OD2 3.23Å; T204-D244 HydrophobicContact CG2-CB 3.86Å; T204-D244 WeakPolarHBondContact OG1-CB 3.37Å; T204-D244 PolarHBondContact OG1-OD2 2.94Å; H206-D244 IonicContact CE1-OD2 3Å; H206-D244 IonicContact CG-OD2 2.73Å; H206-D244 VanDerWaalsContact ND1-CG 3.35Å; H206-D244 IonicContact ND1-OD1 3.63Å; H206-D244 IonicContact ND1-OD2 2.63Å; H206-D244 PolarHBondContact ND1-OD2 3.39Å; A208-D244 HydrophobicContact CB-CB 4.06Å; Y210-D244 HydrophobicContact CE2-CB 4.2Å; Y210-D244 PolarHBondContact OH-N 3.17Å; Y210-D244 VanDerWaalsContact OH-N 3.11Å; D244-R246 PolarHBondContact O-N 3.06Å; D244-R246 VanDerWaalsContact O-N 3.1Å; D244-R246 WeakPolarHBondContact OD1-CB 3.3Å; D244-R246 PolarHBondContact OD1-N 3.06Å; D244-W247 HydrophobicContact CB-CB 4.17Å; D244-W247 HydrophobicContact CB-CG 4.41Å; D244-W247 WeakPolarHBondContact O-CA 3.34Å; D244-W247 WeakPolarHBondContact O-CB 3.41Å; D244-W247 PolarHBondContact O-N 3.11Å; D244-E248 WeakPolarHBondContact O-CG 3.22Å; D244-E248 PolarHBondContact O-N 3.28Å
245L89.2Confident77.7Confident134 Ų13483.1 Ų83.170%0.70243%0.426SS*.Hα-helixtrans-53.5-33.6-178.8-78.8156.5000113W247 N249L245-W247 VanDerWaalsContact C-N 3.33Å; L245-N249 VanDerWaalsContact O-CB 3.28Å; L245-N249 WeakPolarHBondContact O-CB 3.12Å; L245-N249 PolarHBondContact O-N 3.45Å; L245-N249 PolarHBondContact O-ND2 3Å; L245-N249 PolarHBondContact O-OD1 2.83Å
246R88.3Confident77.3Confident124 Ų12484.6 Ų84.647%0.46844%0.436SS..Hα-helixtrans-66.3-40.4178.1-67.2-177.3173.1178.80.2111.3D244 M250D244-R246 PolarHBondContact O-N 3.06Å; D244-R246 VanDerWaalsContact O-N 3.1Å; D244-R246 WeakPolarHBondContact OD1-CB 3.3Å; D244-R246 PolarHBondContact OD1-N 3.06Å; R246-M250 WeakPolarHBondContact O-CG 3.09Å
247W89.7Confident77.5Confident1 Ų176.5 Ų76.50%0.00440%0.4CS..Hα-helixtrans-70.1-46175.7-80.767.8000112H202 T204 Y210 A220 D244 L245 N249 M250 I259 I261 W298 Q312 L315H202-W247 AromaticContact CD2-CE2 3.92Å; H202-W247 AromaticContact CD2-CH2 3.46Å; H202-W247 VanDerWaalsContact CD2-CH2 3.46Å; H202-W247 WeakPolarHBondContact CD2-CH2 3.35Å; H202-W247 AromaticContact CD2-CZ2 3.31Å; H202-W247 WeakPolarHBondContact CD2-CZ2 3.37Å; H202-W247 AromaticContact NE2-CE2 3.8Å; H202-W247 AromaticContact NE2-CH2 3.93Å; H202-W247 AromaticContact NE2-CZ2 3.29Å; H202-W247 VanDerWaalsContact NE2-CZ2 3.29Å; H202-W247 WeakPolarHBondContact NE2-CZ2 3.18Å; T204-W247 HydrophobicContact CG2-CD2 4.35Å; T204-W247 HydrophobicContact CG2-CG 4.18Å; Y210-W247 AromaticContact CD1-CE3 3.86Å; Y210-W247 HydrophobicContact CD1-CE3 3.86Å; Y210-W247 HydrophobicContact CD1-CZ3 4.47Å; Y210-W247 HydrophobicContact CD2-CD2 4.27Å; Y210-W247 HydrophobicContact CD2-CE3 4.1Å; Y210-W247 HydrophobicContact CE1-CB 4.03Å; Y210-W247 HydrophobicContact CE1-CE3 4.2Å; Y210-W247 HydrophobicContact CE2-CB 4Å; Y210-W247 HydrophobicContact CE2-CD2 4.31Å; Y210-W247 HydrophobicContact CE2-CE3 4.42Å; Y210-W247 HydrophobicContact CE2-CG 4.12Å; Y210-W247 HydrophobicContact CG-CD2 4.44Å; Y210-W247 AromaticContact CG-CE3 3.81Å; Y210-W247 HydrophobicContact CG-CE3 3.81Å; Y210-W247 HydrophobicContact CG-CZ3 4.2Å; A220-W247 HydrophobicContact CB-CZ3 3.85Å; D244-W247 HydrophobicContact CB-CB 4.17Å; D244-W247 HydrophobicContact CB-CG 4.41Å; D244-W247 WeakPolarHBondContact O-CA 3.34Å; D244-W247 WeakPolarHBondContact O-CB 3.41Å; D244-W247 PolarHBondContact O-N 3.11Å; L245-W247 VanDerWaalsContact C-N 3.33Å; W247-N249 VanDerWaalsContact C-N 3.28Å; W247-N249 PolarHBondContact O-N 3.05Å; W247-M250 HydrophobicContact CB-CE 4.26Å; W247-M250 HydrophobicContact CD2-CE 4.06Å; W247-M250 HydrophobicContact CG-CE 3.92Å; W247-M250 WeakPolarHBondContact O-CB 3.36Å; W247-M250 PolarHBondContact O-N 3.37Å; W247-I259 HydrophobicContact CB-CD1 3.84Å; W247-I259 HydrophobicContact CD2-CD1 4.41Å; W247-I259 HydrophobicContact CE3-CD1 3.68Å; W247-I259 WeakPolarHBondContact O-CD1 3.38Å; W247-I261 HydrophobicContact CH2-CD1 4.24Å; W247-I261 HydrophobicContact CZ3-CD1 3.98Å; W247-W298 AromaticContact CH2-CH2 3.67Å; W247-W298 HydrophobicContact CH2-CH2 3.67Å; W247-W298 HydrophobicContact CH2-CZ2 4.45Å; W247-W298 HydrophobicContact CH2-CZ3 4.34Å; W247-W298 AromaticContact CZ2-CH2 3.67Å; W247-W298 HydrophobicContact CZ2-CH2 3.67Å; W247-W298 HydrophobicContact CZ2-CZ3 4.3Å; W247-Q312 WeakPolarHBondContact CZ2-O 3.22Å; W247-L315 HydrophobicContact CH2-CD2 3.62Å; W247-L315 HydrophobicContact CH2-CG 4.47Å; W247-L315 HydrophobicContact CZ2-CD2 3.62Å; W247-L315 HydrophobicContact CZ2-CG 4.32Å; W247-L315 HydrophobicContact CZ3-CD2 4.46Å
248E89.7Confident78.2Confident35 Ų3576.7 Ų76.716%0.16440%0.397CS..Hα-helixtrans-62.7-34.7179.1-62-58.911700112.5Y210 K243 D244 M250 K251Y210-E248 WeakPolarHBondContact CE1-OE1 3.44Å; Y210-E248 PolarHBondContact OH-OE1 3.43Å; K243-E248 HydrophobicContact CB-CG 3.91Å; K243-E248 HydrophobicContact CD-CG 4.19Å; K243-E248 HydrophobicContact CG-CG 4.48Å; K243-E248 IonicContact NZ-OE2 2.76Å; D244-E248 WeakPolarHBondContact O-CG 3.22Å; D244-E248 PolarHBondContact O-N 3.28Å; E248-M250 PolarHBondContact O-N 2.84Å; E248-K251 VanDerWaalsContact O-CB 3.31Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 WeakPolarHBondContact O-CG 3.48Å; E248-K251 PolarHBondContact O-N 3.35Å; E248-K251 VanDerWaalsContact O-N 3.14Å; E248-K251 IonicContact OE1-NZ 3.67Å; E248-K251 WeakPolarHBondContact OE2-CE 3.47Å; E248-K251 IonicContact OE2-NZ 3.17Å; E248-K251 PolarHBondContact OE2-NZ 3.35Å
249N88.1Confident79.1Confident133 Ų13366.3 Ų66.371%0.71136%0.358SS*.THydrogen-bonded Turntrans-68-16.3175.6-71.8-14.5000113.7L245 W247 K251L245-N249 VanDerWaalsContact O-CB 3.28Å; L245-N249 WeakPolarHBondContact O-CB 3.12Å; L245-N249 PolarHBondContact O-N 3.45Å; L245-N249 PolarHBondContact O-ND2 3Å; L245-N249 PolarHBondContact O-OD1 2.83Å; W247-N249 VanDerWaalsContact C-N 3.28Å; W247-N249 PolarHBondContact O-N 3.05Å; N249-K251 VanDerWaalsContact C-N 3.31Å
250M85.4Confident79.9Confident59 Ų5965.8 Ų65.829%0.29136%0.361SS..THydrogen-bonded Turntrans-86-1.9174.8-65.6-175.9-71.600112.9R246 W247 E248 I259 L315R246-M250 WeakPolarHBondContact O-CG 3.09Å; W247-M250 HydrophobicContact CB-CE 4.26Å; W247-M250 HydrophobicContact CD2-CE 4.06Å; W247-M250 HydrophobicContact CG-CE 3.92Å; W247-M250 WeakPolarHBondContact O-CB 3.36Å; W247-M250 PolarHBondContact O-N 3.37Å; E248-M250 PolarHBondContact O-N 2.84Å; M250-I259 HydrophobicContact CB-CG2 3.85Å; M250-I259 HydrophobicContact CE-CG2 4.48Å; M250-L315 HydrophobicContact CE-CD1 3.63Å; M250-L315 HydrophobicContact CE-CG 3.88Å; M250-L315 HydrophobicContact SD-CB 4.44Å; M250-L315 HydrophobicContact SD-CD1 3.68Å; M250-L315 HydrophobicContact SD-CG 4.06Å
251K86.4Confident80.7Confident44 Ų4466.7 Ų66.719%0.19137%0.366CS..BIsolated β-bridgetrans-65.7137.1171.9-68.4-179.5169-178.90109.6D225 E248 N249 S257 I259D225-K251 IonicContact OD2-NZ 2.75Å; D225-K251 PolarHBondContact OD2-NZ 2.95Å; D225-K251 VanDerWaalsContact OD2-NZ 3.09Å; E248-K251 VanDerWaalsContact O-CB 3.31Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 WeakPolarHBondContact O-CG 3.48Å; E248-K251 PolarHBondContact O-N 3.35Å; E248-K251 VanDerWaalsContact O-N 3.14Å; E248-K251 IonicContact OE1-NZ 3.67Å; E248-K251 WeakPolarHBondContact OE2-CE 3.47Å; E248-K251 IonicContact OE2-NZ 3.17Å; E248-K251 PolarHBondContact OE2-NZ 3.35Å; N249-K251 VanDerWaalsContact C-N 3.31Å; K251-S257 VanDerWaalsContact CE-O 3.32Å; K251-S257 WeakPolarHBondContact CE-O 3.5Å; K251-I259 HydrophobicContact CG-CD1 4.46Å; K251-I259 HydrophobicContact CG-CG1 3.6Å
252N66.5Low81.3Confident96 Ų9664.7 Ų64.751%0.51335%0.354SS..  trans-62.7143.1176.3-73.2-15.6000110.3S254N252-S254 PolarHBondContact O-N 3.36Å
253A57.6Low81.2Confident115 Ų11562 Ų6295%0.9536%0.355SS*.THydrogen-bonded Turntrans-57.8-14.6-176.400000114.8S255A253-S255 PolarHBondContact O-N 3.36Å
254S53.3Low81Confident83 Ų8360.2 Ų60.258%0.5836%0.359SS*.THydrogen-bonded Turntrans-91.676.8176.859.80000111.6N252 S256N252-S254 PolarHBondContact O-N 3.36Å; S254-S256 PolarHBondContact O-N 3.45Å
255S53.8Low80.7Confident131 Ų13166 Ų6692%0.91640%0.4SS*.THydrogen-bonded Turntrans42.714.4162.766.60000119.3A253A253-S255 PolarHBondContact O-N 3.36Å
256S66.9Low80.7Confident35 Ų3561.8 Ų61.825%0.24538%0.377CS..  trans-87.8127.7-171.967.50000109.2S254 F258S254-S256 PolarHBondContact O-N 3.45Å; S256-F258 PolarHBondContact O-N 2.97Å; S256-F258 PolarHBondContact OG-O 2.79Å
257S79Confident80.8Confident14 Ų1462 Ų6210%0.09838%0.377CS..SBendtrans-63.5-5.6169.653.50000113.8R229 K251R229-S257 PolarHBondContact NH1-OG 2.04Å; R229-S257 PolarHBondContact NH2-OG 2.89Å; K251-S257 VanDerWaalsContact CE-O 3.32Å; K251-S257 WeakPolarHBondContact CE-O 3.5Å
258F87.6Confident80.8Confident42 Ų4262 Ų6218%0.18438%0.378CS..EExtended strand (participates in β ladder)trans-98.6145.8-172.9-54.9-78000112.2F188 F213 A220 I221 S256F188-F258 AromaticContact CD1-CE1 3.41Å; F188-F258 HydrophobicContact CD1-CE1 3.41Å; F188-F258 VanDerWaalsContact CD1-CE1 3.41Å; F188-F258 HydrophobicContact CD1-CE2 4.48Å; F188-F258 AromaticContact CD1-CZ 3.25Å; F188-F258 HydrophobicContact CD1-CZ 3.25Å; F188-F258 AromaticContact CE1-CE1 3.37Å; F188-F258 HydrophobicContact CE1-CE1 3.37Å; F188-F258 AromaticContact CE1-CZ 3.35Å; F188-F258 HydrophobicContact CE1-CZ 3.35Å; F188-F258 HydrophobicContact CZ-CE1 4.49Å; F213-F258 HydrophobicContact CZ-CE1 4.1Å; A220-F258 CarbonylContact O-C 3.56Å; A220-F258 VanDerWaalsContact O-CA 3.3Å; A220-F258 WeakPolarHBondContact O-CA 3.32Å; I221-F258 HydrophobicContact CB-CD1 4.04Å; I221-F258 HydrophobicContact CB-CE1 4.06Å; I221-F258 HydrophobicContact CD1-CD1 4.4Å; I221-F258 HydrophobicContact CD1-CE1 3.73Å; I221-F258 HydrophobicContact CD1-CZ 4.12Å; I221-F258 HydrophobicContact CG1-CD1 4.49Å; I221-F258 HydrophobicContact CG1-CE1 4.28Å; S256-F258 PolarHBondContact O-N 2.97Å; S256-F258 PolarHBondContact OG-O 2.79Å
259I90.1Very high80.8Confident0 Ų063.9 Ų63.90%039%0.386CS..EExtended strand (participates in β ladder)trans-104.8127.5169.7-61.5163.8000106.5Y210 Q219 A220 W247 M250 K251 I261 L315Y210-I259 HydrophobicContact CD1-CD1 3.96Å; Y210-I259 HydrophobicContact CE1-CD1 3.63Å; Q219-I259 CarbonylContact C-O 3.56Å; Q219-I259 VanDerWaalsContact CA-O 3.27Å; Q219-I259 WeakPolarHBondContact CA-O 3.45Å; A220-I259 HydrophobicContact CB-CB 4.3Å; A220-I259 PolarHBondContact N-O 3.34Å; A220-I259 PolarHBondContact O-N 2.69Å; W247-I259 HydrophobicContact CB-CD1 3.84Å; W247-I259 HydrophobicContact CD2-CD1 4.41Å; W247-I259 HydrophobicContact CE3-CD1 3.68Å; W247-I259 WeakPolarHBondContact O-CD1 3.38Å; M250-I259 HydrophobicContact CB-CG2 3.85Å; M250-I259 HydrophobicContact CE-CG2 4.48Å; K251-I259 HydrophobicContact CG-CD1 4.46Å; K251-I259 HydrophobicContact CG-CG1 3.6Å; I259-I261 HydrophobicContact CG2-CD1 4.09Å; I259-I261 PolarHBondContact O-N 2.84Å; I259-L315 HydrophobicContact CG2-CD1 4.2Å
260S89.7Confident80.7Confident43 Ų4358.4 Ų58.430%0.30136%0.356SS..EExtended strand (participates in β ladder)trans-81.3117.2176.8-172.20000109.5S263S260-S263 PolarHBondContact OG-OG 2.76Å
261I90.3Very high81Confident22 Ų2256 Ų5611%0.11335%0.345CS..EExtended strand (participates in β ladder)trans-91.1-46.7176-50.7-58.1000109.6V218 A220 W247 I259 L310 L315V218-I261 HydrophobicContact CB-CB 4.02Å; V218-I261 HydrophobicContact CB-CG2 4.44Å; V218-I261 HydrophobicContact CG1-CB 3.69Å; V218-I261 HydrophobicContact CG1-CG1 3.95Å; V218-I261 HydrophobicContact CG1-CG2 4.01Å; V218-I261 WeakPolarHBondContact O-CB 3.46Å; V218-I261 PolarHBondContact O-N 2.82Å; A220-I261 HydrophobicContact CB-CD1 3.91Å; A220-I261 HydrophobicContact CB-CG1 4.09Å; W247-I261 HydrophobicContact CH2-CD1 4.24Å; W247-I261 HydrophobicContact CZ3-CD1 3.98Å; I259-I261 HydrophobicContact CG2-CD1 4.09Å; I259-I261 PolarHBondContact O-N 2.84Å; I261-L310 HydrophobicContact CG2-CD1 4Å; I261-L315 HydrophobicContact CD1-CD1 3.33Å; I261-L315 HydrophobicContact CD1-CD2 3.92Å; I261-L315 HydrophobicContact CD1-CG 4.27Å
262Y89.6Confident81.2Confident29 Ų2954.4 Ų54.411%0.11434%0.338CS..EExtended strand (participates in β ladder)trans-145.7127.3175.8179.1-89.8000110.4N217 V218 G264 E266 V268 L300 Y302N217-Y262 WeakPolarHBondContact CB-O 3Å; V218-Y262 PolarHBondContact N-O 3.14Å; V218-Y262 PolarHBondContact O-N 3.19Å; Y262-G264 VanDerWaalsContact CE1-N 3.33Å; Y262-E266 VanDerWaalsContact CE1-O 3.24Å; Y262-E266 WeakPolarHBondContact CE1-O 3.36Å; Y262-E266 PolarHBondContact OH-O 2.81Å; Y262-V268 HydrophobicContact CD1-CG2 3.31Å; Y262-V268 HydrophobicContact CE1-CG2 3.59Å; Y262-V268 HydrophobicContact CG-CG2 4.01Å; Y262-L300 HydrophobicContact CD2-CD2 3.49Å; Y262-L300 VanDerWaalsContact CD2-CD2 3.49Å; Y262-L300 HydrophobicContact CE2-CD2 4.1Å; Y262-L300 HydrophobicContact CG-CD2 3.89Å; Y262-Y302 HydrophobicContact CE2-CD1 4.03Å; Y262-Y302 HydrophobicContact CE2-CD2 4.17Å; Y262-Y302 HydrophobicContact CE2-CE1 4.16Å; Y262-Y302 HydrophobicContact CE2-CE2 4.3Å; Y262-Y302 HydrophobicContact CE2-CG 4.01Å; Y262-Y302 AromaticContact CZ-CD2 3.93Å; Y262-Y302 AromaticContact CZ-CG 3.85Å; Y262-Y302 WeakPolarHBondContact OH-CD2 3.36Å
263S86Confident82.3Confident78 Ų7850.1 Ų50.155%0.54532%0.315SS..  trans-136.636.7176.2-67.10000111.4S260S260-S263 PolarHBondContact OG-OG 2.76Å
264G84.1Confident83.9Confident40 Ų4045.7 Ų45.741%0.41228%0.276SS..  trans-68.9169.8175.900000112.7Y262 E266Y262-G264 VanDerWaalsContact CE1-N 3.33Å; G264-E266 VanDerWaalsContact C-N 3.26Å; G264-E266 PolarHBondContact O-N 2.68Å
265S84.4Confident85.5Confident129 Ų12942.8 Ų42.890%0.90226%0.255SS*.SBendtrans-73.1-19.3176.651.40000113.5
266E89.3Confident86.7Confident44 Ų4437.4 Ų37.421%0.20622%0.218CC..SBendtrans-93.7146.1-179.5-62.4-175.3146.800110.3Y262 G264 Y302 R305Y262-E266 VanDerWaalsContact CE1-O 3.24Å; Y262-E266 WeakPolarHBondContact CE1-O 3.36Å; Y262-E266 PolarHBondContact OH-O 2.81Å; G264-E266 VanDerWaalsContact C-N 3.26Å; G264-E266 PolarHBondContact O-N 2.68Å; E266-Y302 HydrophobicContact CB-CD2 4.08Å; E266-Y302 VanDerWaalsContact OE2-CD2 3.32Å; E266-Y302 WeakPolarHBondContact OE2-CD2 3.44Å; E266-R305 IonicContact OE1-CZ 2.68Å; E266-R305 IonicContact OE1-NH1 3.62Å; E266-R305 PolarHBondContact OE1-NH1 2.97Å; E266-R305 IonicContact OE1-NH2 2.81Å; E266-R305 PolarHBondContact OE1-NH2 3.34Å; E266-R305 IonicContact OE2-NH1 2.66Å
267R89.1Confident86.8Confident129 Ų12936.1 Ų36.149%0.48721%0.21SC..PPolyproline II helixtrans-78139.7-178-63.5177.7-176.9-176.8-5.1110.5Q193 Y302 G303Q193-R267 WeakPolarHBondContact O-CD 3.38Å; R267-Y302 CarbonylContact O-C 3.6Å; R267-Y302 WeakPolarHBondContact O-CA 3.48Å; R267-Y302 WeakPolarHBondContact O-CB 3.39Å; R267-G303 PolarHBondContact O-N 3.11Å
268V90.1Very high86.2Confident1 Ų137.3 Ų37.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-75.4130.5169-179.30000109.1I197 G216 V218 Y262 L300I197-V268 HydrophobicContact CD1-CG1 3.96Å; I197-V268 HydrophobicContact CG1-CB 4.27Å; I197-V268 HydrophobicContact CG1-CG1 3.89Å; G216-V268 PolarHBondContact O-N 3.21Å; V218-V268 HydrophobicContact CG2-CB 4.3Å; V218-V268 HydrophobicContact CG2-CG1 4.02Å; V218-V268 HydrophobicContact CG2-CG2 4.03Å; Y262-V268 HydrophobicContact CD1-CG2 3.31Å; Y262-V268 HydrophobicContact CE1-CG2 3.59Å; Y262-V268 HydrophobicContact CG-CG2 4.01Å; V268-L300 HydrophobicContact CB-CD1 4.49Å; V268-L300 HydrophobicContact CG1-CD1 3.66Å; V268-L300 HydrophobicContact CG2-CD1 3.94Å
269E88.7Confident84.9Confident75 Ų7536.7 Ų36.735%0.3522%0.22SC..EExtended strand (participates in β ladder)trans-100.8-39-179.3-65.1-62.1156.700111F301E269-F301 HydrophobicContact CB-CD1 3.49Å; E269-F301 VanDerWaalsContact CB-CD1 3.49Å; E269-F301 HydrophobicContact CB-CE1 3.76Å; E269-F301 HydrophobicContact CG-CD1 4.02Å; E269-F301 HydrophobicContact CG-CE1 3.86Å; E269-F301 PolarHBondContact N-O 3.22Å
270F87.8Confident83.4Confident18 Ų1837.2 Ų37.28%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-153.5153.3170.446.3-99.7000112.3L272 F301 S328 P330F270-L272 HydrophobicContact CB-CG 4.46Å; F270-L272 HydrophobicContact CD2-CD1 3.77Å; F270-L272 HydrophobicContact CD2-CG 4.2Å; F270-L272 HydrophobicContact CE2-CD1 4.31Å; F270-L272 HydrophobicContact CG-CD1 4.48Å; F270-F301 HydrophobicContact CD1-CB 4.35Å; F270-F301 AromaticContact CD1-CD1 3.62Å; F270-F301 HydrophobicContact CD1-CD1 3.62Å; F270-F301 HydrophobicContact CD1-CE1 4.37Å; F270-F301 HydrophobicContact CD1-CG 4.39Å; F270-F301 HydrophobicContact CD2-CB 3.45Å; F270-F301 VanDerWaalsContact CD2-CB 3.45Å; F270-F301 HydrophobicContact CD2-CD1 4.24Å; F270-F301 HydrophobicContact CD2-CG 4.22Å; F270-F301 HydrophobicContact CE1-CB 4.07Å; F270-F301 AromaticContact CE1-CD1 3.04Å; F270-F301 HydrophobicContact CE1-CD1 3.04Å; F270-F301 AromaticContact CE1-CE1 3.59Å; F270-F301 HydrophobicContact CE1-CE1 3.59Å; F270-F301 AromaticContact CE1-CG 3.77Å; F270-F301 HydrophobicContact CE1-CG 3.77Å; F270-F301 HydrophobicContact CE2-CB 3.05Å; F270-F301 AromaticContact CE2-CD1 3.73Å; F270-F301 HydrophobicContact CE2-CD1 3.73Å; F270-F301 AromaticContact CE2-CG 3.55Å; F270-F301 HydrophobicContact CE2-CG 3.55Å; F270-F301 HydrophobicContact CG-CB 4.07Å; F270-F301 HydrophobicContact CG-CD1 4.18Å; F270-F301 HydrophobicContact CZ-CB 3.41Å; F270-F301 VanDerWaalsContact CZ-CB 3.41Å; F270-F301 AromaticContact CZ-CD1 3.08Å; F270-F301 HydrophobicContact CZ-CD1 3.08Å; F270-F301 HydrophobicContact CZ-CD2 4.13Å; F270-F301 AromaticContact CZ-CE1 3.82Å; F270-F301 HydrophobicContact CZ-CE1 3.82Å; F270-F301 AromaticContact CZ-CG 3.28Å; F270-F301 HydrophobicContact CZ-CG 3.28Å; F270-F301 PolarHBondContact O-N 3.49Å; F270-S328 WeakPolarHBondContact CE1-O 3.4Å; F270-S328 WeakPolarHBondContact CZ-O 3.03Å; F270-P330 HydrophobicContact CE2-CG 3.6Å; F270-P330 VanDerWaalsContact CZ-CD 3.45Å; F270-P330 HydrophobicContact CZ-CG 3.94Å
271L91.1Very high82.2Confident9 Ų936.7 Ų36.75%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-133.2123.8172.5173.869.9000107.5I197 L200 L212 V218 W298 V299 L300I197-L271 HydrophobicContact CG2-CB 3.5Å; I197-L271 HydrophobicContact CG2-CD2 4.1Å; I197-L271 HydrophobicContact CG2-CG 4.46Å; L200-L271 HydrophobicContact CD1-CD2 4.02Å; L200-L271 HydrophobicContact CD1-CG 4.07Å; L212-L271 HydrophobicContact CB-CD2 4.35Å; L212-L271 HydrophobicContact CD2-CD2 4.1Å; V218-L271 HydrophobicContact CG1-CD2 3.74Å; V218-L271 HydrophobicContact CG2-CD2 4.37Å; L271-W298 HydrophobicContact CD1-CB 3.76Å; L271-W298 HydrophobicContact CD1-CG 4.22Å; L271-V299 WeakPolarHBondContact CA-O 3.38Å; L271-L300 HydrophobicContact CD1-CB 4.38Å; L271-L300 HydrophobicContact CD1-CD1 4.03Å
272L89.6Confident81.2Confident10 Ų1038.2 Ų38.25%0.05222%0.22CC..EExtended strand (participates in β ladder)trans-136.4141-172.1-49.3163.8000110.1F270 F278 W298 V299 E329F270-L272 HydrophobicContact CB-CG 4.46Å; F270-L272 HydrophobicContact CD2-CD1 3.77Å; F270-L272 HydrophobicContact CD2-CG 4.2Å; F270-L272 HydrophobicContact CE2-CD1 4.31Å; F270-L272 HydrophobicContact CG-CD1 4.48Å; L272-F278 HydrophobicContact CB-CD1 4.27Å; L272-F278 HydrophobicContact CB-CE1 4.2Å; L272-F278 HydrophobicContact CD2-CD1 4.27Å; L272-F278 HydrophobicContact CD2-CE1 3.69Å; L272-W298 CarbonylContact O-C 3.56Å; L272-W298 VanDerWaalsContact O-CA 3.31Å; L272-W298 WeakPolarHBondContact O-CA 3.22Å; L272-V299 PolarHBondContact N-O 3.11Å; L272-V299 PolarHBondContact O-N 3.15Å; L272-E329 HydrophobicContact CD1-CG 3.37Å; L272-E329 HydrophobicContact CD2-CG 4.08Å; L272-E329 VanDerWaalsContact CD2-OE1 3.24Å; L272-E329 WeakPolarHBondContact CD2-OE1 3.3Å; L272-E329 HydrophobicContact CG-CG 4.35Å
273P90.8Very high80.9Confident5 Ų538.3 Ų38.33%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-65.3134.8167.228.8-32.6000110.4V275 F278 W293 S296 L332P273-V275 HydrophobicContact CB-CG2 4.27Å; P273-V275 PolarHBondContact O-N 2.78Å; P273-F278 VanDerWaalsContact CD-CE1 3.45Å; P273-F278 VanDerWaalsContact CD-CZ 3.41Å; P273-F278 HydrophobicContact CG-CB 4.39Å; P273-F278 HydrophobicContact CG-CD1 3.9Å; P273-F278 HydrophobicContact CG-CD2 3.26Å; P273-F278 HydrophobicContact CG-CE1 3.96Å; P273-F278 HydrophobicContact CG-CE2 3.32Å; P273-F278 HydrophobicContact CG-CG 3.57Å; P273-F278 HydrophobicContact CG-CZ 3.68Å; P273-W293 HydrophobicContact CB-CB 4.31Å; P273-W293 HydrophobicContact CG-CB 4.14Å; P273-W293 HydrophobicContact CG-CG 4.38Å; P273-S296 WeakPolarHBondContact CA-OG 3.23Å; P273-S296 WeakPolarHBondContact CB-OG 3.43Å; P273-L332 WeakPolarHBondContact O-CD1 3.45Å
274L90.4Very high80.7Confident22 Ų2235.2 Ų35.212%0.11520%0.201CC..SBendtrans-78.170176.2-173.165.4000109.7D297 V299 V309 L332 V340 L341 L343L274-D297 HydrophobicContact CB-CB 4.42Å; L274-D297 WeakPolarHBondContact CB-O 3.35Å; L274-D297 HydrophobicContact CD2-CB 4.45Å; L274-D297 PolarHBondContact N-O 2.91Å; L274-V299 HydrophobicContact CB-CG2 4.25Å; L274-V299 HydrophobicContact CD1-CG2 3.73Å; L274-V309 HydrophobicContact CD2-CG1 4.3Å; L274-L332 HydrophobicContact CD1-CD1 4.29Å; L274-L332 HydrophobicContact CD1-CD2 3.91Å; L274-V340 HydrophobicContact CD2-CG1 4.45Å; L274-L341 HydrophobicContact CD1-CB 4.17Å; L274-L341 HydrophobicContact CG-CB 4.5Å; L274-L343 HydrophobicContact CD1-CD1 4.38Å
275V87.3Confident80.8Confident23 Ų2333.6 Ų33.614%0.13918%0.183CC..  trans-134.3144.1-178.9-174.60000110.5P273 F278 N292 S296 L332P273-V275 HydrophobicContact CB-CG2 4.27Å; P273-V275 PolarHBondContact O-N 2.78Å; V275-F278 WeakPolarHBondContact O-CB 3.37Å; V275-F278 PolarHBondContact O-N 2.84Å; V275-N292 HydrophobicContact CG1-CB 4.06Å; V275-S296 WeakPolarHBondContact CG2-OG 3.34Å; V275-L332 WeakPolarHBondContact O-CD1 3.41Å
276A78.6Confident80.7Confident17 Ų1729 Ų2914%0.1415%0.148CC..THydrogen-bonded Turntrans-64.4145.1177.900000109.8F278 L341 Q526A276-F278 PolarHBondContact O-N 2.87Å; A276-L341 HydrophobicContact CB-CD1 4Å; A276-L341 HydrophobicContact CB-CD2 3.95Å; A276-Q526 HydrophobicContact CB-CB 3.78Å; A276-Q526 HydrophobicContact CB-CG 4.05Å
277G69Low80.2Confident9 Ų930 Ų309%0.09316%0.164CC..THydrogen-bonded Turntrans74.8-2.1178.900000115.4Q526G277-Q526 VanDerWaalsContact CA-OE1 3.26Å
278F67.9Low79.6Confident38 Ų3829 Ų2917%0.16717%0.172CC..THydrogen-bonded Turntrans-71.1142.4168-163-90.8000110.3L272 P273 V275 A276 N280 W293L272-F278 HydrophobicContact CB-CD1 4.27Å; L272-F278 HydrophobicContact CB-CE1 4.2Å; L272-F278 HydrophobicContact CD2-CD1 4.27Å; L272-F278 HydrophobicContact CD2-CE1 3.69Å; P273-F278 VanDerWaalsContact CD-CE1 3.45Å; P273-F278 VanDerWaalsContact CD-CZ 3.41Å; P273-F278 HydrophobicContact CG-CB 4.39Å; P273-F278 HydrophobicContact CG-CD1 3.9Å; P273-F278 HydrophobicContact CG-CD2 3.26Å; P273-F278 HydrophobicContact CG-CE1 3.96Å; P273-F278 HydrophobicContact CG-CE2 3.32Å; P273-F278 HydrophobicContact CG-CG 3.57Å; P273-F278 HydrophobicContact CG-CZ 3.68Å; V275-F278 WeakPolarHBondContact O-CB 3.37Å; V275-F278 PolarHBondContact O-N 2.84Å; A276-F278 PolarHBondContact O-N 2.87Å; F278-N280 PolarHBondContact O-N 2.94Å; F278-W293 AromaticContact CD2-CD2 3.57Å; F278-W293 HydrophobicContact CD2-CD2 3.57Å; F278-W293 AromaticContact CD2-CE2 3.6Å; F278-W293 AromaticContact CD2-CE3 3.95Å; F278-W293 HydrophobicContact CD2-CE3 3.95Å; F278-W293 AromaticContact CD2-CG 3.88Å; F278-W293 HydrophobicContact CD2-CG 3.88Å; F278-W293 HydrophobicContact CD2-CH2 4.34Å; F278-W293 HydrophobicContact CD2-CZ2 4Å; F278-W293 HydrophobicContact CD2-CZ3 4.32Å; F278-W293 AromaticContact CD2-NE1 3.89Å; F278-W293 AromaticContact CE2-CD2 3.92Å; F278-W293 HydrophobicContact CE2-CD2 3.92Å; F278-W293 AromaticContact CE2-CE3 3.85Å; F278-W293 HydrophobicContact CE2-CE3 3.85Å; F278-W293 HydrophobicContact CE2-CG 4.33Å; F278-W293 HydrophobicContact CE2-CZ3 4.21Å
279G59.2Low78.9Confident30 Ų3029.9 Ų29.931%0.30918%0.178SC..THydrogen-bonded Turntrans82.6-6.6174.200000117.1N281G279-N281 PolarHBondContact O-N 2.93Å
280N59.3Low78.3Confident11 Ų1127.4 Ų27.46%0.05917%0.169CC..SBendtrans-82.630.1-179-73.9-30.1000114.7F278 R282 A450F278-N280 PolarHBondContact O-N 2.94Å; N280-R282 PolarHBondContact O-N 2.78Å; N280-A450 WeakPolarHBondContact O-CB 2.99Å
281N64.9Low77.7Confident31 Ų3130.4 Ų30.417%0.16619%0.186CC..SBendtrans52.821.7-174.8-66.9-55.4000115.2L39 A40 G279 N283 T448 S449 A450L39-N281 HydrophobicContact CB-CB 4.4Å; L39-N281 HydrophobicContact CD2-CB 3.92Å; L39-N281 HydrophobicContact CG-CB 4.09Å; A40-N281 WeakPolarHBondContact CA-O 3.48Å; G279-N281 PolarHBondContact O-N 2.93Å; N281-N283 VanDerWaalsContact C-N 3.34Å; N281-T448 PolarHBondContact ND2-OG1 3.07Å; N281-S449 PolarHBondContact ND2-O 3.29Å; N281-A450 HydrophobicContact CB-CB 4.03Å
282R68.9Low77.1Confident55 Ų5534.7 Ų34.721%0.20821%0.209CC..  trans-66.5-38.1171.9-101.9-179.5158.3177.7-6111.4L41 E50 N280 S284L41-R282 HydrophobicContact CB-CG 4.3Å; L41-R282 PolarHBondContact N-O 3.43Å; E50-R282 IonicContact OE1-CZ 3.68Å; E50-R282 IonicContact OE1-NE 3.44Å; E50-R282 PolarHBondContact OE1-NE 3.17Å; E50-R282 IonicContact OE1-NH2 2.8Å; E50-R282 PolarHBondContact OE1-NH2 3.33Å; E50-R282 IonicContact OE2-CZ 2.77Å; E50-R282 IonicContact OE2-NE 2.81Å; E50-R282 PolarHBondContact OE2-NE 2.94Å; E50-R282 IonicContact OE2-NH2 3.3Å; E50-R282 PolarHBondContact OE2-NH2 2.72Å; N280-R282 PolarHBondContact O-N 2.78Å; R282-S284 PolarHBondContact O-N 2.79Å
283N82Confident76.7Confident30 Ų3037 Ų3716%0.1622%0.217CC..  trans48.446.6174.2-71.8-32.6000112.8L39 A40 L97 Q98 C99 Q141 N281L39-N283 PolarHBondContact O-ND2 2.86Å; A40-N283 HydrophobicContact CB-CB 4.09Å; L97-N283 VanDerWaalsContact O-CB 3.25Å; L97-N283 WeakPolarHBondContact O-CB 3.39Å; Q98-N283 WeakPolarHBondContact CA-O 3.42Å; Q98-N283 VanDerWaalsContact CB-O 3.3Å; Q98-N283 WeakPolarHBondContact CB-O 3.39Å; Q98-N283 HydrophobicContact CG-CB 4.05Å; C99-N283 PolarHBondContact N-O 2.77Å; Q141-N283 PolarHBondContact NE2-OD1 2.75Å; N281-N283 VanDerWaalsContact C-N 3.34Å
284S83.1Confident76.3Confident13 Ų1337 Ų379%0.09122%0.217CC..BIsolated β-bridgetrans-74.5143.9-179-177.30000112.7W42 C99 R282 D286 S289W42-S284 WeakPolarHBondContact CZ3-OG 3.27Å; C99-S284 CarbonylContact O-C 3.57Å; C99-S284 WeakPolarHBondContact O-CA 3.33Å; R282-S284 PolarHBondContact O-N 2.79Å; S284-D286 PolarHBondContact OG-N 2.78Å; S284-D286 VanDerWaalsContact OG-N 3.11Å; S284-D286 PolarHBondContact OG-OD2 3.17Å; S284-S289 PolarHBondContact OG-OG 3.33Å
285L85.6Confident76.2Confident6 Ų641.4 Ų41.43%0.03123%0.232CC..  trans-118.434.2170.2-76.3170.9000111.6Q98 C99 G100 L112 A142 L144Q98-L285 HydrophobicContact CB-CD1 3.3Å; Q98-L285 HydrophobicContact CB-CG 3.66Å; Q98-L285 HydrophobicContact CG-CD1 4.24Å; Q98-L285 HydrophobicContact CG-CG 4.35Å; C99-L285 PolarHBondContact O-N 2.8Å; G100-L285 CarbonylContact C-O 3.58Å; L112-L285 HydrophobicContact CB-CD1 4.26Å; L112-L285 HydrophobicContact CD1-CD1 3.34Å; L112-L285 HydrophobicContact CG-CD1 3.66Å; A142-L285 HydrophobicContact CB-CD2 4.48Å; L144-L285 HydrophobicContact CB-CD2 4.14Å
286D83.2Confident76.2Confident33 Ų3340.9 Ų40.918%0.17623%0.229CC..  trans-94.7151.3173.585.984.5000112.2W42 S284 V288 S289 S290W42-D286 HydrophobicContact CH2-CB 3.68Å; W42-D286 HydrophobicContact CZ3-CB 4.37Å; S284-D286 PolarHBondContact OG-N 2.78Å; S284-D286 VanDerWaalsContact OG-N 3.11Å; S284-D286 PolarHBondContact OG-OD2 3.17Å; D286-V288 VanDerWaalsContact C-N 3.29Å; D286-V288 PolarHBondContact O-N 2.81Å; D286-V288 VanDerWaalsContact OD1-CA 3.3Å; D286-V288 WeakPolarHBondContact OD1-CA 3.39Å; D286-V288 WeakPolarHBondContact OD1-CB 3.43Å; D286-V288 PolarHBondContact OD1-N 3.3Å; D286-S289 PolarHBondContact O-OG 2.88Å; D286-S289 VanDerWaalsContact O-OG 3.06Å; D286-S289 PolarHBondContact OD1-N 3.24Å; D286-S289 WeakPolarHBondContact OD2-CB 3.45Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; D286-S290 WeakPolarHBondContact O-CB 3.28Å; D286-S290 PolarHBondContact O-N 3.44Å; D286-S290 VanDerWaalsContact O-N 3.17Å
287A77.3Confident76.8Confident64 Ų6442 Ų4253%0.52923%0.233SC..Hα-helixtrans-68.2-27.3-176.600000113.2L291A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 3.23Å
288V78Confident78Confident108 Ų10841.8 Ų41.866%0.65523%0.229SC*.Hα-helixtrans-73.9-46.7-177.7-177.10000110.3D286 L291D286-V288 VanDerWaalsContact C-N 3.29Å; D286-V288 PolarHBondContact O-N 2.81Å; D286-V288 VanDerWaalsContact OD1-CA 3.3Å; D286-V288 WeakPolarHBondContact OD1-CA 3.39Å; D286-V288 WeakPolarHBondContact OD1-CB 3.43Å; D286-V288 PolarHBondContact OD1-N 3.3Å; V288-L291 PolarHBondContact O-N 2.64Å
289S75.2Confident79.1Confident20 Ų2040 Ų4014%0.1422%0.222CC..Hα-helixtrans-63.1-42.4174.359.30000111.7S284 D286 L291 N292 W293S284-S289 PolarHBondContact OG-OG 3.33Å; D286-S289 PolarHBondContact O-OG 2.88Å; D286-S289 VanDerWaalsContact O-OG 3.06Å; D286-S289 PolarHBondContact OD1-N 3.24Å; D286-S289 WeakPolarHBondContact OD2-CB 3.45Å; D286-S289 PolarHBondContact OD2-OG 2.77Å; S289-L291 VanDerWaalsContact C-N 3.33Å; S289-L291 PolarHBondContact O-N 3.03Å; S289-N292 PolarHBondContact O-N 3.16Å; S289-W293 VanDerWaalsContact O-CG 3.31Å; S289-W293 PolarHBondContact O-N 3.35Å
290S75.8Confident80.7Confident23 Ų2338.8 Ų38.816%0.16121%0.208CC..Hα-helixtrans-59.8-38.4176.3-175.20000112.9D286 N292 W293 T294D286-S290 WeakPolarHBondContact O-CB 3.28Å; D286-S290 PolarHBondContact O-N 3.44Å; D286-S290 VanDerWaalsContact O-N 3.17Å; S290-N292 VanDerWaalsContact C-N 3.33Å; S290-N292 PolarHBondContact O-N 2.87Å; S290-W293 PolarHBondContact O-N 3.37Å; S290-T294 WeakPolarHBondContact O-CB 3.23Å; S290-T294 WeakPolarHBondContact O-CG2 3.34Å; S290-T294 PolarHBondContact O-N 2.87Å; S290-T294 PolarHBondContact O-OG1 2.9Å
291L74.6Confident82.2Confident82 Ų8238.3 Ų38.343%0.42921%0.205SC..Hα-helixtrans-63-38.5-178.3-157.387.3000112.8A287 V288 S289 T294A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 3.23Å; V288-L291 PolarHBondContact O-N 2.64Å; S289-L291 VanDerWaalsContact C-N 3.33Å; S289-L291 PolarHBondContact O-N 3.03Å; L291-T294 PolarHBondContact O-OG1 3.42Å; L291-T294 VanDerWaalsContact O-OG1 3.11Å
292N77.9Confident83.3Confident99 Ų9937.9 Ų37.953%0.52920%0.201SC..Hα-helixtrans-71.5-43179.9-71.9-21.5000111.1V275 S289 S290 R295V275-N292 HydrophobicContact CG1-CB 4.06Å; S289-N292 PolarHBondContact O-N 3.16Å; S290-N292 VanDerWaalsContact C-N 3.33Å; S290-N292 PolarHBondContact O-N 2.87Å; N292-R295 PolarHBondContact O-N 2.82Å
293W81.1Confident84.1Confident58 Ų5836.3 Ų36.322%0.2220%0.203CC..Hα-helixtrans-68.5-38.7-178.8-57.9-16.3000112.8P273 F278 S289 S290 R295 S296P273-W293 HydrophobicContact CB-CB 4.31Å; P273-W293 HydrophobicContact CG-CB 4.14Å; P273-W293 HydrophobicContact CG-CG 4.38Å; F278-W293 AromaticContact CD2-CD2 3.57Å; F278-W293 HydrophobicContact CD2-CD2 3.57Å; F278-W293 AromaticContact CD2-CE2 3.6Å; F278-W293 AromaticContact CD2-CE3 3.95Å; F278-W293 HydrophobicContact CD2-CE3 3.95Å; F278-W293 AromaticContact CD2-CG 3.88Å; F278-W293 HydrophobicContact CD2-CG 3.88Å; F278-W293 HydrophobicContact CD2-CH2 4.34Å; F278-W293 HydrophobicContact CD2-CZ2 4Å; F278-W293 HydrophobicContact CD2-CZ3 4.32Å; F278-W293 AromaticContact CD2-NE1 3.89Å; F278-W293 AromaticContact CE2-CD2 3.92Å; F278-W293 HydrophobicContact CE2-CD2 3.92Å; F278-W293 AromaticContact CE2-CE3 3.85Å; F278-W293 HydrophobicContact CE2-CE3 3.85Å; F278-W293 HydrophobicContact CE2-CG 4.33Å; F278-W293 HydrophobicContact CE2-CZ3 4.21Å; S289-W293 VanDerWaalsContact O-CG 3.31Å; S289-W293 PolarHBondContact O-N 3.35Å; S290-W293 PolarHBondContact O-N 3.37Å; W293-R295 PolarHBondContact O-N 2.97Å; W293-S296 PolarHBondContact O-OG 2.91Å
294T84.1Confident84.1Confident6 Ų636.3 Ų36.34%0.03721%0.207CC..Hα-helixtrans-67.8-19-177.2520000113L201 H202 E203 S290 L291L201-T294 HydrophobicContact CB-CG2 3.88Å; L201-T294 HydrophobicContact CD2-CG2 3.77Å; L201-T294 HydrophobicContact CG-CG2 3.72Å; L201-T294 WeakPolarHBondContact O-CG2 3.41Å; H202-T294 WeakPolarHBondContact CA-O 3.38Å; H202-T294 PolarHBondContact ND1-O 2.82Å; E203-T294 PolarHBondContact N-O 3.38Å; S290-T294 WeakPolarHBondContact O-CB 3.23Å; S290-T294 WeakPolarHBondContact O-CG2 3.34Å; S290-T294 PolarHBondContact O-N 2.87Å; S290-T294 PolarHBondContact O-OG1 2.9Å; L291-T294 PolarHBondContact O-OG1 3.42Å; L291-T294 VanDerWaalsContact O-OG1 3.11Å
295R87.9Confident84.3Confident114 Ų11441.4 Ų41.443%0.4322%0.224SC..THydrogen-bonded Turntrans-113.513.3-175.1-62.1179.7-179.1-1681.2114E203 N292 W293 Q312E203-R295 HydrophobicContact CB-CG 4.15Å; E203-R295 VanDerWaalsContact CD-NE 3.33Å; E203-R295 IonicContact OE1-CZ 3.54Å; E203-R295 IonicContact OE1-NE 3.64Å; E203-R295 IonicContact OE1-NH2 3.11Å; E203-R295 PolarHBondContact OE1-NH2 2.84Å; E203-R295 IonicContact OE2-CZ 3.29Å; E203-R295 IonicContact OE2-NE 3.51Å; E203-R295 PolarHBondContact OE2-NE 2.85Å; E203-R295 IonicContact OE2-NH2 2.82Å; E203-R295 PolarHBondContact OE2-NH2 3.48Å; N292-R295 PolarHBondContact O-N 2.82Å; W293-R295 PolarHBondContact O-N 2.97Å; R295-Q312 PolarHBondContact O-NE2 3.46Å
296S87.4Confident84.5Confident12 Ų1241.4 Ų41.48%0.08422%0.224CC..SBendtrans-96.1156.9-175.871.30000113.3P273 V275 W293 Q312P273-S296 WeakPolarHBondContact CA-OG 3.23Å; P273-S296 WeakPolarHBondContact CB-OG 3.43Å; V275-S296 WeakPolarHBondContact CG2-OG 3.34Å; W293-S296 PolarHBondContact O-OG 2.91Å; S296-Q312 WeakPolarHBondContact O-CB 3.25Å
297D91.4Very high84.9Confident40 Ų4039.9 Ų39.921%0.21422%0.216CC..  trans-57.4163.3161-71.9-7.2000110.2L274 V309 L310 R311 Q312 Q318L274-D297 HydrophobicContact CB-CB 4.42Å; L274-D297 WeakPolarHBondContact CB-O 3.35Å; L274-D297 HydrophobicContact CD2-CB 4.45Å; L274-D297 PolarHBondContact N-O 2.91Å; D297-V309 HydrophobicContact CB-CG1 4.29Å; D297-L310 WeakPolarHBondContact CA-O 3.33Å; D297-L310 WeakPolarHBondContact CB-O 3.39Å; D297-R311 WeakPolarHBondContact OD1-CA 3.26Å; D297-Q312 PolarHBondContact OD1-N 2.8Å; D297-Q318 PolarHBondContact OD2-NE2 3.04Å
298W93.1Very high85.6Confident5 Ų536.9 Ų36.92%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-120.6144-177.6-56.3-73000112.9H202 L212 W247 L271 L272 V309 L310 Q312 L315H202-W298 HydrophobicContact CB-CZ2 3.98Å; H202-W298 AromaticContact CD2-CH2 3.88Å; H202-W298 AromaticContact CD2-CZ2 3.93Å; H202-W298 AromaticContact CE1-CH2 3.7Å; H202-W298 AromaticContact CE1-CZ2 3.68Å; H202-W298 AromaticContact CG-CH2 3.91Å; H202-W298 AromaticContact CG-CZ2 3.47Å; H202-W298 VanDerWaalsContact CG-CZ2 3.47Å; H202-W298 AromaticContact ND1-CH2 3.81Å; H202-W298 AromaticContact ND1-CZ2 3.31Å; H202-W298 VanDerWaalsContact ND1-CZ2 3.31Å; H202-W298 WeakPolarHBondContact ND1-CZ2 3.48Å; H202-W298 AromaticContact NE2-CH2 3.76Å; L212-W298 HydrophobicContact CD2-CD2 4.39Å; L212-W298 HydrophobicContact CD2-CH2 4.39Å; L212-W298 HydrophobicContact CD2-CZ2 3.91Å; W247-W298 AromaticContact CH2-CH2 3.67Å; W247-W298 HydrophobicContact CH2-CH2 3.67Å; W247-W298 HydrophobicContact CH2-CZ2 4.45Å; W247-W298 HydrophobicContact CH2-CZ3 4.34Å; W247-W298 AromaticContact CZ2-CH2 3.67Å; W247-W298 HydrophobicContact CZ2-CH2 3.67Å; W247-W298 HydrophobicContact CZ2-CZ3 4.3Å; L271-W298 HydrophobicContact CD1-CB 3.76Å; L271-W298 HydrophobicContact CD1-CG 4.22Å; L272-W298 CarbonylContact O-C 3.56Å; L272-W298 VanDerWaalsContact O-CA 3.31Å; L272-W298 WeakPolarHBondContact O-CA 3.22Å; W298-V309 CarbonylContact O-C 3.59Å; W298-V309 VanDerWaalsContact O-CA 3.27Å; W298-V309 WeakPolarHBondContact O-CA 3.34Å; W298-L310 HydrophobicContact CE3-CB 4.16Å; W298-L310 PolarHBondContact N-O 2.9Å; W298-L310 PolarHBondContact O-N 2.9Å; W298-Q312 HydrophobicContact CH2-CB 4.05Å; W298-Q312 HydrophobicContact CZ2-CB 4.44Å; W298-Q312 HydrophobicContact CZ3-CB 4.19Å; W298-L315 HydrophobicContact CE3-CD2 4.33Å; W298-L315 HydrophobicContact CH2-CD2 4.06Å; W298-L315 HydrophobicContact CZ3-CD2 3.43Å; W298-L315 VanDerWaalsContact CZ3-CD2 3.43Å
299V92.1Very high86.4Confident1 Ų131.7 Ų31.71%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-92.3118.4165.1-177.80000108.2L271 L272 L274 L307 V309 L343L271-V299 WeakPolarHBondContact CA-O 3.38Å; L272-V299 PolarHBondContact N-O 3.11Å; L272-V299 PolarHBondContact O-N 3.15Å; L274-V299 HydrophobicContact CB-CG2 4.25Å; L274-V299 HydrophobicContact CD1-CG2 3.73Å; V299-L307 HydrophobicContact CG1-CD1 3.82Å; V299-L307 HydrophobicContact CG1-CD2 3.95Å; V299-L307 HydrophobicContact CG1-CG 3.78Å; V299-V309 HydrophobicContact CG2-CG2 4.31Å; V299-L343 HydrophobicContact CB-CD2 4.35Å; V299-L343 HydrophobicContact CG1-CD2 3.64Å; V299-L343 HydrophobicContact CG2-CD2 3.73Å
300L92.4Very high87.2Confident3 Ų331.1 Ų31.12%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-108.2123.7174-17974.7000109.3V218 Y262 V268 L271 Y302 L307 S308 L310V218-L300 HydrophobicContact CG2-CD1 4.24Å; Y262-L300 HydrophobicContact CD2-CD2 3.49Å; Y262-L300 VanDerWaalsContact CD2-CD2 3.49Å; Y262-L300 HydrophobicContact CE2-CD2 4.1Å; Y262-L300 HydrophobicContact CG-CD2 3.89Å; V268-L300 HydrophobicContact CB-CD1 4.49Å; V268-L300 HydrophobicContact CG1-CD1 3.66Å; V268-L300 HydrophobicContact CG2-CD1 3.94Å; L271-L300 HydrophobicContact CD1-CB 4.38Å; L271-L300 HydrophobicContact CD1-CD1 4.03Å; L300-Y302 HydrophobicContact CD2-CD1 3.82Å; L300-Y302 HydrophobicContact CD2-CE1 4.08Å; L300-Y302 HydrophobicContact CG-CD1 3.95Å; L300-L307 CarbonylContact O-C 3.6Å; L300-L307 WeakPolarHBondContact O-CA 3.31Å; L300-S308 PolarHBondContact N-O 3.29Å; L300-S308 PolarHBondContact O-N 2.81Å; L300-L310 HydrophobicContact CB-CD1 4.19Å; L300-L310 HydrophobicContact CB-CG 4.33Å; L300-L310 HydrophobicContact CD2-CD1 4.18Å
301F90.1Very high87.9Confident2 Ų234.5 Ų34.51%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-118.8129.3174.3177.8-113.1000111.7E269 F270 A304 T306 L307 I326E269-F301 HydrophobicContact CB-CD1 3.49Å; E269-F301 VanDerWaalsContact CB-CD1 3.49Å; E269-F301 HydrophobicContact CB-CE1 3.76Å; E269-F301 HydrophobicContact CG-CD1 4.02Å; E269-F301 HydrophobicContact CG-CE1 3.86Å; E269-F301 PolarHBondContact N-O 3.22Å; F270-F301 HydrophobicContact CD1-CB 4.35Å; F270-F301 AromaticContact CD1-CD1 3.62Å; F270-F301 HydrophobicContact CD1-CD1 3.62Å; F270-F301 HydrophobicContact CD1-CE1 4.37Å; F270-F301 HydrophobicContact CD1-CG 4.39Å; F270-F301 HydrophobicContact CD2-CB 3.45Å; F270-F301 VanDerWaalsContact CD2-CB 3.45Å; F270-F301 HydrophobicContact CD2-CD1 4.24Å; F270-F301 HydrophobicContact CD2-CG 4.22Å; F270-F301 HydrophobicContact CE1-CB 4.07Å; F270-F301 AromaticContact CE1-CD1 3.04Å; F270-F301 HydrophobicContact CE1-CD1 3.04Å; F270-F301 AromaticContact CE1-CE1 3.59Å; F270-F301 HydrophobicContact CE1-CE1 3.59Å; F270-F301 AromaticContact CE1-CG 3.77Å; F270-F301 HydrophobicContact CE1-CG 3.77Å; F270-F301 HydrophobicContact CE2-CB 3.05Å; F270-F301 AromaticContact CE2-CD1 3.73Å; F270-F301 HydrophobicContact CE2-CD1 3.73Å; F270-F301 AromaticContact CE2-CG 3.55Å; F270-F301 HydrophobicContact CE2-CG 3.55Å; F270-F301 HydrophobicContact CG-CB 4.07Å; F270-F301 HydrophobicContact CG-CD1 4.18Å; F270-F301 HydrophobicContact CZ-CB 3.41Å; F270-F301 VanDerWaalsContact CZ-CB 3.41Å; F270-F301 AromaticContact CZ-CD1 3.08Å; F270-F301 HydrophobicContact CZ-CD1 3.08Å; F270-F301 HydrophobicContact CZ-CD2 4.13Å; F270-F301 AromaticContact CZ-CE1 3.82Å; F270-F301 HydrophobicContact CZ-CE1 3.82Å; F270-F301 AromaticContact CZ-CG 3.28Å; F270-F301 HydrophobicContact CZ-CG 3.28Å; F270-F301 PolarHBondContact O-N 3.49Å; F301-A304 VanDerWaalsContact CZ-CA 3.41Å; F301-A304 WeakPolarHBondContact CZ-O 3.39Å; F301-T306 WeakPolarHBondContact CA-O 3.33Å; F301-T306 WeakPolarHBondContact CD2-O 3.28Å; F301-L307 HydrophobicContact CD2-CB 4.26Å; F301-I326 HydrophobicContact CE1-CB 4.45Å; F301-I326 WeakPolarHBondContact CE1-O 3.39Å; F301-I326 HydrophobicContact CE2-CB 3.67Å; F301-I326 HydrophobicContact CE2-CD1 3.98Å; F301-I326 HydrophobicContact CE2-CG1 4.24Å; F301-I326 HydrophobicContact CE2-CG2 4.34Å; F301-I326 HydrophobicContact CZ-CB 3.55Å; F301-I326 HydrophobicContact CZ-CG2 4.2Å; F301-I326 WeakPolarHBondContact CZ-O 3.24Å
302Y89.2Confident88.5Confident21 Ų2131.7 Ų31.78%0.08215%0.149CC..EExtended strand (participates in β ladder)trans-146.5157.8-173.260-89.5000112.7Y262 E266 R267 L300 A304 R305 T306 K317Y262-Y302 HydrophobicContact CE2-CD1 4.03Å; Y262-Y302 HydrophobicContact CE2-CD2 4.17Å; Y262-Y302 HydrophobicContact CE2-CE1 4.16Å; Y262-Y302 HydrophobicContact CE2-CE2 4.3Å; Y262-Y302 HydrophobicContact CE2-CG 4.01Å; Y262-Y302 AromaticContact CZ-CD2 3.93Å; Y262-Y302 AromaticContact CZ-CG 3.85Å; Y262-Y302 WeakPolarHBondContact OH-CD2 3.36Å; E266-Y302 HydrophobicContact CB-CD2 4.08Å; E266-Y302 VanDerWaalsContact OE2-CD2 3.32Å; E266-Y302 WeakPolarHBondContact OE2-CD2 3.44Å; R267-Y302 CarbonylContact O-C 3.6Å; R267-Y302 WeakPolarHBondContact O-CA 3.48Å; R267-Y302 WeakPolarHBondContact O-CB 3.39Å; L300-Y302 HydrophobicContact CD2-CD1 3.82Å; L300-Y302 HydrophobicContact CD2-CE1 4.08Å; L300-Y302 HydrophobicContact CG-CD1 3.95Å; Y302-A304 PolarHBondContact O-N 3.1Å; Y302-A304 VanDerWaalsContact O-N 3.13Å; Y302-R305 PolarHBondContact O-N 2.71Å; Y302-T306 HydrophobicContact CD2-CG2 4.43Å; Y302-T306 HydrophobicContact CE1-CG2 3.84Å; Y302-T306 HydrophobicContact CE2-CG2 3.64Å; Y302-T306 PolarHBondContact N-O 2.97Å; Y302-T306 PolarHBondContact O-N 3.42Å; Y302-T306 VanDerWaalsContact OH-CG2 3.24Å; Y302-T306 WeakPolarHBondContact OH-CG2 3.24Å; Y302-K317 PolarHBondContact OH-NZ 3.18Å
303G84.8Confident88.8Confident23 Ų2331.5 Ų31.524%0.23714%0.141CC..THydrogen-bonded Turntrans63.618.5178.600000114.1R267 R305R267-G303 PolarHBondContact O-N 3.11Å; G303-R305 PolarHBondContact O-N 3.33Å
304A82.4Confident88.8Confident30 Ų3029.8 Ų29.825%0.24814%0.136CC..THydrogen-bonded Turntrans54.712.1-172.300000115.2F301 Y302 S325 I326F301-A304 VanDerWaalsContact CZ-CA 3.41Å; F301-A304 WeakPolarHBondContact CZ-O 3.39Å; Y302-A304 PolarHBondContact O-N 3.1Å; Y302-A304 VanDerWaalsContact O-N 3.13Å; A304-S325 CarbonylContact O-C 3.52Å; A304-S325 WeakPolarHBondContact O-CA 3.25Å; A304-I326 PolarHBondContact O-N 2.87Å
305R86.7Confident88.9Confident119 Ų11930.7 Ų30.745%0.44914%0.14SC..THydrogen-bonded Turntrans-143.5-17.7-174.369.1170.6125.581.32.1115.5E266 Y302 G303 S322 N323E266-R305 IonicContact OE1-CZ 2.68Å; E266-R305 IonicContact OE1-NH1 3.62Å; E266-R305 PolarHBondContact OE1-NH1 2.97Å; E266-R305 IonicContact OE1-NH2 2.81Å; E266-R305 PolarHBondContact OE1-NH2 3.34Å; E266-R305 IonicContact OE2-NH1 2.66Å; Y302-R305 PolarHBondContact O-N 2.71Å; G303-R305 PolarHBondContact O-N 3.33Å; R305-S322 WeakPolarHBondContact O-CA 3.48Å; R305-N323 VanDerWaalsContact CB-O 3.29Å; R305-N323 WeakPolarHBondContact CB-O 3.22Å; R305-N323 PolarHBondContact O-N 3.09Å; R305-N323 VanDerWaalsContact O-N 3.07Å
306T89.9Confident88.9Confident6 Ų631 Ų314%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-117.6125.3-170.7-61.40000110.5F301 Y302 T320 F321 S322F301-T306 WeakPolarHBondContact CA-O 3.33Å; F301-T306 WeakPolarHBondContact CD2-O 3.28Å; Y302-T306 HydrophobicContact CD2-CG2 4.43Å; Y302-T306 HydrophobicContact CE1-CG2 3.84Å; Y302-T306 HydrophobicContact CE2-CG2 3.64Å; Y302-T306 PolarHBondContact N-O 2.97Å; Y302-T306 PolarHBondContact O-N 3.42Å; Y302-T306 VanDerWaalsContact OH-CG2 3.24Å; Y302-T306 WeakPolarHBondContact OH-CG2 3.24Å; T306-T320 HydrophobicContact CG2-CG2 3.36Å; T306-F321 WeakPolarHBondContact CA-O 3.48Å; T306-S322 PolarHBondContact OG1-OG 2.88Å; T306-S322 VanDerWaalsContact OG1-OG 3.04Å
307L91.6Very high89.1Confident2 Ų235.1 Ų35.11%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-111.4137.2175.1-169.7148.4000108.9V299 L300 F301 W319 T320 F321 P330 L343 V345V299-L307 HydrophobicContact CG1-CD1 3.82Å; V299-L307 HydrophobicContact CG1-CD2 3.95Å; V299-L307 HydrophobicContact CG1-CG 3.78Å; L300-L307 CarbonylContact O-C 3.6Å; L300-L307 WeakPolarHBondContact O-CA 3.31Å; F301-L307 HydrophobicContact CD2-CB 4.26Å; L307-W319 HydrophobicContact CD2-CH2 3.3Å; L307-W319 HydrophobicContact CD2-CZ2 4.47Å; L307-W319 HydrophobicContact CD2-CZ3 3.35Å; L307-T320 CarbonylContact O-C 3.48Å; L307-T320 WeakPolarHBondContact O-CA 3.45Å; L307-F321 PolarHBondContact N-O 2.73Å; L307-F321 PolarHBondContact O-N 3.06Å; L307-P330 HydrophobicContact CD1-CG 4.04Å; L307-L343 HydrophobicContact CD1-CD2 3.63Å; L307-L343 HydrophobicContact CD2-CD2 3.64Å; L307-L343 HydrophobicContact CG-CD2 4.22Å; L307-V345 HydrophobicContact CD1-CG1 4.38Å
308S92.9Very high89.1Confident0 Ų036.8 Ų36.80%017%0.169CC..EExtended strand (participates in β ladder)trans-138143.8177.7-65.40000110L300 K317 W319L300-S308 PolarHBondContact N-O 3.29Å; L300-S308 PolarHBondContact O-N 2.81Å; S308-K317 PolarHBondContact OG-NZ 3.08Å; S308-W319 WeakPolarHBondContact CA-O 3.37Å
309V93.7Very high89.1Confident0 Ų037.6 Ų37.60%017%0.173CC..EExtended strand (participates in β ladder)trans-99.7127.3168.61710000109.7L274 D297 W298 V299 K317 Q318 W319L274-V309 HydrophobicContact CD2-CG1 4.3Å; D297-V309 HydrophobicContact CB-CG1 4.29Å; W298-V309 CarbonylContact O-C 3.59Å; W298-V309 VanDerWaalsContact O-CA 3.27Å; W298-V309 WeakPolarHBondContact O-CA 3.34Å; V299-V309 HydrophobicContact CG2-CG2 4.31Å; V309-K317 WeakPolarHBondContact O-CA 3.46Å; V309-Q318 HydrophobicContact CG1-CB 4.47Å; V309-Q318 HydrophobicContact CG1-CG 4.47Å; V309-Q318 PolarHBondContact O-N 2.76Å; V309-W319 HydrophobicContact CB-CD2 4.37Å; V309-W319 HydrophobicContact CB-CZ2 4Å; V309-W319 HydrophobicContact CG2-CD2 4.37Å; V309-W319 HydrophobicContact CG2-CH2 3.73Å; V309-W319 HydrophobicContact CG2-CZ2 3.19Å; V309-W319 HydrophobicContact CG2-CZ3 4.48Å; V309-W319 PolarHBondContact N-O 3.03Å
310L92.9Very high89.2Confident8 Ų840.8 Ų40.84%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-106.2131.3177.3-57.1-177.2000109.5I261 D297 W298 L300 K317I261-L310 HydrophobicContact CG2-CD1 4Å; D297-L310 WeakPolarHBondContact CA-O 3.33Å; D297-L310 WeakPolarHBondContact CB-O 3.39Å; W298-L310 HydrophobicContact CE3-CB 4.16Å; W298-L310 PolarHBondContact N-O 2.9Å; W298-L310 PolarHBondContact O-N 2.9Å; L300-L310 HydrophobicContact CB-CD1 4.19Å; L300-L310 HydrophobicContact CB-CG 4.33Å; L300-L310 HydrophobicContact CD2-CD1 4.18Å; L310-K317 HydrophobicContact CD2-CB 4.05Å; L310-K317 HydrophobicContact CD2-CG 4.18Å
311R90.2Very high89.1Confident94 Ų9442 Ų4236%0.35520%0.197SC..  trans-72.3135.3176.3-168.9-176.4-64.3149.3-2.7111.1D297 R313 D314 L315 H316 Q318D297-R311 WeakPolarHBondContact OD1-CA 3.26Å; R311-R313 VanDerWaalsContact C-N 3.32Å; R311-R313 HydrophobicContact CG-CB 4.4Å; R311-R313 PolarHBondContact O-N 2.74Å; R311-D314 WeakPolarHBondContact CD-OD1 3.39Å; R311-D314 IonicContact NH1-OD1 2.81Å; R311-D314 IonicContact NH1-OD2 3.19Å; R311-D314 PolarHBondContact NH1-OD2 3.39Å; R311-L315 VanDerWaalsContact O-CA 3.25Å; R311-L315 WeakPolarHBondContact O-CA 3.46Å; R311-L315 PolarHBondContact O-N 3.28Å; R311-H316 PolarHBondContact N-O 3.05Å; R311-Q318 HydrophobicContact CB-CG 4.33Å
312Q87.3Confident88.9Confident22 Ų2245.4 Ų45.410%0.10322%0.222CC..THydrogen-bonded Turntrans-61.8-39-178.573.4102.9-44.100113.8H202 W247 R295 S296 D297 W298 D314H202-Q312 PolarHBondContact CE1-OE1 3.04Å; W247-Q312 WeakPolarHBondContact CZ2-O 3.22Å; R295-Q312 PolarHBondContact O-NE2 3.46Å; S296-Q312 WeakPolarHBondContact O-CB 3.25Å; D297-Q312 PolarHBondContact OD1-N 2.8Å; W298-Q312 HydrophobicContact CH2-CB 4.05Å; W298-Q312 HydrophobicContact CZ2-CB 4.44Å; W298-Q312 HydrophobicContact CZ3-CB 4.19Å; Q312-D314 PolarHBondContact O-N 3.02Å
313R84.1Confident88.4Confident95 Ų9547 Ų4736%0.35823%0.232SC..THydrogen-bonded Turntrans-68.4-37-172.3-168.2-171.677.7170.41.1113.9R311R311-R313 VanDerWaalsContact C-N 3.32Å; R311-R313 HydrophobicContact CG-CB 4.4Å; R311-R313 PolarHBondContact O-N 2.74Å
314D81.4Confident87.8Confident23 Ų2348 Ų4812%0.12324%0.237CC..THydrogen-bonded Turntrans-144.110.9-165.654.328000114R311 Q312 H316R311-D314 WeakPolarHBondContact CD-OD1 3.39Å; R311-D314 IonicContact NH1-OD1 2.81Å; R311-D314 IonicContact NH1-OD2 3.19Å; R311-D314 PolarHBondContact NH1-OD2 3.39Å; Q312-D314 PolarHBondContact O-N 3.02Å; D314-H316 PolarHBondContact O-N 3.39Å; D314-H316 PolarHBondContact O-ND1 2.92Å; D314-H316 WeakPolarHBondContact OD1-CB 3.17Å; D314-H316 IonicContact OD1-CG 3.09Å; D314-H316 PolarHBondContact OD1-N 3.11Å; D314-H316 IonicContact OD1-ND1 2.57Å; D314-H316 PolarHBondContact OD1-ND1 3.2Å
315L84.9Confident87.5Confident24 Ų2448.6 Ų48.613%0.12624%0.239CC..  trans57.58.6-180-50.8-177.4000114.9W247 M250 I259 I261 W298 R311 K317W247-L315 HydrophobicContact CH2-CD2 3.62Å; W247-L315 HydrophobicContact CH2-CG 4.47Å; W247-L315 HydrophobicContact CZ2-CD2 3.62Å; W247-L315 HydrophobicContact CZ2-CG 4.32Å; W247-L315 HydrophobicContact CZ3-CD2 4.46Å; M250-L315 HydrophobicContact CE-CD1 3.63Å; M250-L315 HydrophobicContact CE-CG 3.88Å; M250-L315 HydrophobicContact SD-CB 4.44Å; M250-L315 HydrophobicContact SD-CD1 3.68Å; M250-L315 HydrophobicContact SD-CG 4.06Å; I259-L315 HydrophobicContact CG2-CD1 4.2Å; I261-L315 HydrophobicContact CD1-CD1 3.33Å; I261-L315 HydrophobicContact CD1-CD2 3.92Å; I261-L315 HydrophobicContact CD1-CG 4.27Å; W298-L315 HydrophobicContact CE3-CD2 4.33Å; W298-L315 HydrophobicContact CH2-CD2 4.06Å; W298-L315 HydrophobicContact CZ3-CD2 3.43Å; W298-L315 VanDerWaalsContact CZ3-CD2 3.43Å; R311-L315 VanDerWaalsContact O-CA 3.25Å; R311-L315 WeakPolarHBondContact O-CA 3.46Å; R311-L315 PolarHBondContact O-N 3.28Å; L315-K317 PolarHBondContact O-N 2.75Å
316H88.6Confident87Confident120 Ų12043 Ų4356%0.55622%0.219SC*.  trans-68.1134.3-178.4-78.462.2000109.8R311 D314 Q318R311-H316 PolarHBondContact N-O 3.05Å; D314-H316 PolarHBondContact O-N 3.39Å; D314-H316 PolarHBondContact O-ND1 2.92Å; D314-H316 WeakPolarHBondContact OD1-CB 3.17Å; D314-H316 IonicContact OD1-CG 3.09Å; D314-H316 PolarHBondContact OD1-N 3.11Å; D314-H316 IonicContact OD1-ND1 2.57Å; D314-H316 PolarHBondContact OD1-ND1 3.2Å; H316-Q318 PolarHBondContact O-N 2.91Å
317K91Very high86.1Confident99 Ų9947.5 Ų47.543%0.4324%0.239SC..EExtended strand (participates in β ladder)trans-70.1118.2173.9-167-177.2-55.8-163.10109.7Y302 S308 V309 L310 L315 T320Y302-K317 PolarHBondContact OH-NZ 3.18Å; S308-K317 PolarHBondContact OG-NZ 3.08Å; V309-K317 WeakPolarHBondContact O-CA 3.46Å; L310-K317 HydrophobicContact CD2-CB 4.05Å; L310-K317 HydrophobicContact CD2-CG 4.18Å; L315-K317 PolarHBondContact O-N 2.75Å; K317-T320 WeakPolarHBondContact CD-OG1 3.49Å
318Q91.8Very high85.3Confident75 Ų7547.7 Ų47.735%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-77.4-47.2179.4-64.2-170.34.800111.3D297 V309 R311 H316D297-Q318 PolarHBondContact OD2-NE2 3.04Å; V309-Q318 HydrophobicContact CG1-CB 4.47Å; V309-Q318 HydrophobicContact CG1-CG 4.47Å; V309-Q318 PolarHBondContact O-N 2.76Å; R311-Q318 HydrophobicContact CB-CG 4.33Å; H316-Q318 PolarHBondContact O-N 2.91Å
319W93.9Very high84.9Confident23 Ų2349.9 Ų49.99%0.08725%0.251CS..EExtended strand (participates in β ladder)trans-155.3165.6176.852-101.7000110.7L307 S308 V309 F321 L343 V358 S359 G360 G363L307-W319 HydrophobicContact CD2-CH2 3.3Å; L307-W319 HydrophobicContact CD2-CZ2 4.47Å; L307-W319 HydrophobicContact CD2-CZ3 3.35Å; S308-W319 WeakPolarHBondContact CA-O 3.37Å; V309-W319 HydrophobicContact CB-CD2 4.37Å; V309-W319 HydrophobicContact CB-CZ2 4Å; V309-W319 HydrophobicContact CG2-CD2 4.37Å; V309-W319 HydrophobicContact CG2-CH2 3.73Å; V309-W319 HydrophobicContact CG2-CZ2 3.19Å; V309-W319 HydrophobicContact CG2-CZ3 4.48Å; V309-W319 PolarHBondContact N-O 3.03Å; W319-F321 HydrophobicContact CE3-CB 4.24Å; W319-F321 HydrophobicContact CZ3-CB 3.83Å; W319-L343 HydrophobicContact CH2-CD1 4.07Å; W319-L343 HydrophobicContact CZ2-CD1 4.1Å; W319-V358 HydrophobicContact CH2-CG1 4.16Å; W319-V358 HydrophobicContact CZ3-CG1 4.31Å; W319-S359 WeakPolarHBondContact CZ2-O 3.39Å; W319-G360 PolarHBondContact NE1-O 2.83Å; W319-G363 VanDerWaalsContact CD2-CA 3.43Å
320T92.9Very high84.7Confident68 Ų6850.2 Ų50.242%0.41725%0.253SS..EExtended strand (participates in β ladder)trans-130.7132.1174.8-54.10000109T306 L307 K317T306-T320 HydrophobicContact CG2-CG2 3.36Å; L307-T320 CarbonylContact O-C 3.48Å; L307-T320 WeakPolarHBondContact O-CA 3.45Å; K317-T320 WeakPolarHBondContact CD-OG1 3.49Å
321F90.1Very high84.7Confident27 Ų2750 Ų5012%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-116.3132.6169.7179.3-103.5000108.9T306 L307 W319 N323 L356 V358 G363T306-F321 WeakPolarHBondContact CA-O 3.48Å; L307-F321 PolarHBondContact N-O 2.73Å; L307-F321 PolarHBondContact O-N 3.06Å; W319-F321 HydrophobicContact CE3-CB 4.24Å; W319-F321 HydrophobicContact CZ3-CB 3.83Å; F321-N323 HydrophobicContact CD1-CB 4.33Å; F321-N323 HydrophobicContact CE1-CB 3.4Å; F321-N323 HydrophobicContact CZ-CB 3.6Å; F321-L356 HydrophobicContact CE1-CD2 3.58Å; F321-L356 HydrophobicContact CZ-CD2 3.5Å; F321-L356 VanDerWaalsContact CZ-CD2 3.5Å; F321-V358 HydrophobicContact CB-CG1 4.31Å; F321-V358 HydrophobicContact CD1-CG1 4.44Å; F321-V358 HydrophobicContact CD1-CG2 3.94Å; F321-V358 HydrophobicContact CD2-CG1 4.36Å; F321-V358 HydrophobicContact CE1-CG2 3.81Å; F321-V358 HydrophobicContact CG-CG1 4.12Å; F321-V358 HydrophobicContact CG-CG2 4.35Å; F321-V358 HydrophobicContact CZ-CG2 4.14Å; F321-G363 VanDerWaalsContact CD2-O 3.23Å; F321-G363 WeakPolarHBondContact CD2-O 3.43Å
322S87.4Confident84.8Confident75 Ų7545.9 Ų45.952%0.52424%0.238SC..EExtended strand (participates in β ladder)trans-126.8128.5174.7-61.20000109.5R305 T306R305-S322 WeakPolarHBondContact O-CA 3.48Å; T306-S322 PolarHBondContact OG1-OG 2.88Å; T306-S322 VanDerWaalsContact OG1-OG 3.04Å
323N78.4Confident85.1Confident55 Ų5544.9 Ų44.929%0.29423%0.233SC..  trans-145-180177.3-16916.8000110.1R305 F321 H347R305-N323 VanDerWaalsContact CB-O 3.29Å; R305-N323 WeakPolarHBondContact CB-O 3.22Å; R305-N323 PolarHBondContact O-N 3.09Å; R305-N323 VanDerWaalsContact O-N 3.07Å; F321-N323 HydrophobicContact CD1-CB 4.33Å; F321-N323 HydrophobicContact CE1-CB 3.4Å; F321-N323 HydrophobicContact CZ-CB 3.6Å; N323-H347 PolarHBondContact ND2-NE2 3.44Å
324A71.8Confident85.6Confident42 Ų4242.3 Ų42.335%0.34723%0.225SC..SBendtrans-49.9161.2171.700000112.3I326A324-I326 PolarHBondContact O-N 3.34Å
325S76.8Confident86.3Confident43 Ų4342.2 Ų42.230%0.30122%0.223SC..  trans-57.8105.4-162.451.30000113.7A304 H327 H347A304-S325 CarbonylContact O-C 3.52Å; A304-S325 WeakPolarHBondContact O-CA 3.25Å; S325-H327 VanDerWaalsContact CB-CE1 3.41Å; S325-H327 WeakPolarHBondContact CB-CE1 3.39Å; S325-H327 PolarHBondContact O-CD2 2.91Å; S325-H327 PolarHBondContact O-NE2 2.92Å; S325-H327 VanDerWaalsContact O-NE2 3.12Å; S325-H327 PolarHBondContact OG-CE1 2.7Å; S325-H327 VanDerWaalsContact OG-CE1 3.29Å; S325-H327 PolarHBondContact OG-NE2 3.15Å; S325-H347 WeakPolarHBondContact O-CB 3.42Å
326I75.3Confident86.6Confident3 Ų343.2 Ų43.22%0.01523%0.229CC..BIsolated β-bridgetrans-76.6128.7179.1-59.5167.6000107.5F301 A304 A324 V345F301-I326 HydrophobicContact CE1-CB 4.45Å; F301-I326 WeakPolarHBondContact CE1-O 3.39Å; F301-I326 HydrophobicContact CE2-CB 3.67Å; F301-I326 HydrophobicContact CE2-CD1 3.98Å; F301-I326 HydrophobicContact CE2-CG1 4.24Å; F301-I326 HydrophobicContact CE2-CG2 4.34Å; F301-I326 HydrophobicContact CZ-CB 3.55Å; F301-I326 HydrophobicContact CZ-CG2 4.2Å; F301-I326 WeakPolarHBondContact CZ-O 3.24Å; A304-I326 PolarHBondContact O-N 2.87Å; A324-I326 PolarHBondContact O-N 3.34Å; I326-V345 HydrophobicContact CD1-CB 4.37Å; I326-V345 HydrophobicContact CD1-CG1 4.46Å; I326-V345 HydrophobicContact CD1-CG2 4.16Å; I326-V345 HydrophobicContact CG1-CG2 4.49Å; I326-V345 HydrophobicContact CG2-CB 3.98Å; I326-V345 HydrophobicContact CG2-CG1 4.23Å
327H70.6Confident86.8Confident100 Ų10042.9 Ų42.946%0.46324%0.24SC..  trans-119.8-0.1-171.8-61.9-55000113.6S325 Q346S325-H327 VanDerWaalsContact CB-CE1 3.41Å; S325-H327 WeakPolarHBondContact CB-CE1 3.39Å; S325-H327 PolarHBondContact O-CD2 2.91Å; S325-H327 PolarHBondContact O-NE2 2.92Å; S325-H327 VanDerWaalsContact O-NE2 3.12Å; S325-H327 PolarHBondContact OG-CE1 2.7Å; S325-H327 VanDerWaalsContact OG-CE1 3.29Å; S325-H327 PolarHBondContact OG-NE2 3.15Å; H327-Q346 PolarHBondContact N-O 2.78Å
328S75.7Confident86.9Confident6 Ų641.3 Ų41.34%0.04224%0.236CC..SBendtrans-120.3149.1-176.945.70000110.7F270 Q346F270-S328 WeakPolarHBondContact CE1-O 3.4Å; F270-S328 WeakPolarHBondContact CZ-O 3.03Å; S328-Q346 WeakPolarHBondContact OG-CB 3.15Å; S328-Q346 PolarHBondContact OG-N 3.11Å; S328-Q346 PolarHBondContact OG-O 2.86Å
329E85.1Confident86.7Confident46 Ų4640.7 Ų40.722%0.21525%0.25CC..PPolyproline II helixtrans-62.5131.7165-163.4170.1131.600109.3L272 E379L272-E329 HydrophobicContact CD1-CG 3.37Å; L272-E329 HydrophobicContact CD2-CG 4.08Å; L272-E329 VanDerWaalsContact CD2-OE1 3.24Å; L272-E329 WeakPolarHBondContact CD2-OE1 3.3Å; L272-E329 HydrophobicContact CG-CG 4.35Å; E329-E379 HydrophobicContact CB-CG 4.38Å
330P89.4Confident86.6Confident6 Ų642 Ų424%0.03926%0.26CS..PPolyproline II helixtrans-67.9132.8-178.7-1929.7000111.8F270 L307 L343 F344 V345F270-P330 HydrophobicContact CE2-CG 3.6Å; F270-P330 VanDerWaalsContact CZ-CD 3.45Å; F270-P330 HydrophobicContact CZ-CG 3.94Å; L307-P330 HydrophobicContact CD1-CG 4.04Å; P330-L343 HydrophobicContact CB-CB 4.28Å; P330-L343 HydrophobicContact CB-CD2 4.29Å; P330-F344 CarbonylContact C-O 3.55Å; P330-F344 VanDerWaalsContact CA-O 3.22Å; P330-F344 WeakPolarHBondContact CA-O 3.24Å; P330-V345 HydrophobicContact CB-CG1 3.77Å; P330-V345 HydrophobicContact CG-CG1 3.82Å
331A91.7Very high86.7Confident5 Ų539.5 Ų39.54%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-83.5130.7168.600000110.1F344 A380A331-F344 HydrophobicContact CB-CB 4.22Å; A331-F344 PolarHBondContact N-O 2.74Å; A331-F344 PolarHBondContact O-N 2.79Å; A331-A380 HydrophobicContact CB-CB 3.88Å; A331-A380 WeakPolarHBondContact CB-O 3.45Å
332L92.6Very high86.9Confident7 Ų738.2 Ų38.24%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-100.9122.1-173.5-57.6-178.8000111.7P273 L274 V275 D342 L343 A382 Q526P273-L332 WeakPolarHBondContact O-CD1 3.45Å; L274-L332 HydrophobicContact CD1-CD1 4.29Å; L274-L332 HydrophobicContact CD1-CD2 3.91Å; V275-L332 WeakPolarHBondContact O-CD1 3.41Å; L332-D342 WeakPolarHBondContact CA-O 3.43Å; L332-L343 HydrophobicContact CD2-CD2 4.36Å; L332-L343 HydrophobicContact CD2-CG 3.83Å; L332-A382 WeakPolarHBondContact O-CB 3.48Å; L332-Q526 PolarHBondContact O-NE2 3.21Å
333G93.4Very high87.2Confident0 Ų034.7 Ų34.70%021%0.214CC..EExtended strand (participates in β ladder)trans-163.2160.6178.900000113.4F335 D342G333-F335 PolarHBondContact O-N 2.79Å; G333-D342 PolarHBondContact N-O 2.84Å; G333-D342 WeakPolarHBondContact O-CA 3.47Å; G333-D342 WeakPolarHBondContact O-CB 3.47Å; G333-D342 PolarHBondContact O-N 2.78Å
334H94.3Very high87.9Confident42 Ų4232.1 Ų32.119%0.19420%0.2CC..  trans-79.4104.7177.4-63.9-66.5000111V340 L341 Q389 S390H334-V340 PolarHBondContact ND1-O 3.04Å; H334-L341 WeakPolarHBondContact NE2-CD2 3.12Å; H334-Q389 CarbonylContact O-C 3.48Å; H334-S390 PolarHBondContact N-OG 3.12Å; H334-S390 PolarHBondContact O-N 3.05Å
335F95.6Very high88.9Confident21 Ų2130.1 Ų30.19%0.09218%0.184CC..SBendtrans-83.6-42.3172.9-174.6-99000110.7G333 D342 I357 L366 W367 F392 L428 P430 P433G333-F335 PolarHBondContact O-N 2.79Å; F335-D342 WeakPolarHBondContact CA-OD2 3.31Å; F335-D342 HydrophobicContact CB-CB 4.05Å; F335-D342 VanDerWaalsContact CB-OD2 3.24Å; F335-D342 WeakPolarHBondContact CB-OD2 3.08Å; F335-D342 PolarHBondContact N-OD2 2.81Å; F335-I357 HydrophobicContact CB-CG2 3.9Å; F335-I357 HydrophobicContact CD1-CG2 4.42Å; F335-I357 HydrophobicContact CD2-CD1 3.4Å; F335-I357 HydrophobicContact CD2-CG2 4.32Å; F335-I357 HydrophobicContact CE2-CD1 3.53Å; F335-I357 HydrophobicContact CG-CD1 4.16Å; F335-I357 HydrophobicContact CG-CG2 3.97Å; F335-I357 HydrophobicContact CZ-CD1 4.39Å; F335-L366 HydrophobicContact CB-CD1 4.4Å; F335-L366 HydrophobicContact CD1-CB 3.93Å; F335-L366 HydrophobicContact CD1-CD1 3.98Å; F335-L366 HydrophobicContact CE1-CB 4.08Å; F335-W367 HydrophobicContact CE1-CB 4.18Å; F335-W367 HydrophobicContact CE2-CB 4.19Å; F335-W367 HydrophobicContact CE2-CG 4.46Å; F335-W367 HydrophobicContact CZ-CB 3.68Å; F335-W367 HydrophobicContact CZ-CG 4.15Å; F335-F392 HydrophobicContact CB-CE2 4.04Å; F335-F392 HydrophobicContact CB-CZ 4.25Å; F335-F392 HydrophobicContact CD2-CD2 4.36Å; F335-F392 AromaticContact CD2-CE2 3.87Å; F335-F392 HydrophobicContact CD2-CE2 3.87Å; F335-F392 HydrophobicContact CG-CE2 4.47Å; F335-L428 HydrophobicContact CE2-CD2 4.24Å; F335-P430 HydrophobicContact CB-CG 4.44Å; F335-P430 HydrophobicContact CD1-CB 4.47Å; F335-P430 HydrophobicContact CD2-CB 3.85Å; F335-P430 HydrophobicContact CD2-CG 3.55Å; F335-P430 HydrophobicContact CE1-CB 4.49Å; F335-P430 HydrophobicContact CE2-CB 3.88Å; F335-P430 HydrophobicContact CE2-CG 3.97Å; F335-P430 HydrophobicContact CG-CB 4.18Å; F335-P430 HydrophobicContact CG-CG 4.04Å; F335-P430 HydrophobicContact CZ-CB 4.21Å; F335-P430 WeakPolarHBondContact O-CB 3.41Å; F335-P430 WeakPolarHBondContact O-CG 3.32Å; F335-P433 HydrophobicContact CZ-CB 4.42Å
336N93.2Very high89.5Confident44 Ų4428.4 Ų28.424%0.23517%0.171CC..SBendtrans-106.7-168.3177.172.325.4000111.2D338 D342N336-D338 PolarHBondContact ND2-OD2 2.88Å; N336-D338 WeakPolarHBondContact OD1-CB 3.42Å; N336-D338 PolarHBondContact OD1-N 2.98Å; N336-D338 PolarHBondContact OD1-OD1 3.33Å; N336-D338 PolarHBondContact OD1-OD2 2.89Å; N336-D338 VanDerWaalsContact OD1-OD2 3.11Å; N336-D342 PolarHBondContact N-OD2 2.89Å
337S90.9Very high90Very high114 Ų11429 Ų2980%0.79717%0.174SC*.SBendtrans-106.726.7-179.6-53.70000113.3G339S337-G339 VanDerWaalsContact C-N 3.31Å
338D92.9Very high90.7Very high65 Ų6525.7 Ų25.735%0.34816%0.162SC..SBendtrans-82.1-6.9-178.770.817.5000114.1N336 V340N336-D338 PolarHBondContact ND2-OD2 2.88Å; N336-D338 WeakPolarHBondContact OD1-CB 3.42Å; N336-D338 PolarHBondContact OD1-N 2.98Å; N336-D338 PolarHBondContact OD1-OD1 3.33Å; N336-D338 PolarHBondContact OD1-OD2 2.89Å; N336-D338 VanDerWaalsContact OD1-OD2 3.11Å; D338-V340 VanDerWaalsContact C-N 3.25Å; D338-V340 PolarHBondContact O-N 2.78Å; D338-V340 WeakPolarHBondContact OD1-CA 3.4Å; D338-V340 WeakPolarHBondContact OD1-CB 3.18Å; D338-V340 PolarHBondContact OD1-N 3.24Å
339G89.1Confident91.1Very high62 Ų6227.5 Ų27.564%0.63918%0.177SC*.SBendtrans79.21.7178.400000114.5S337S337-G339 VanDerWaalsContact C-N 3.31Å
340V91.8Very high91.1Very high51 Ų5133.3 Ų33.331%0.30921%0.209SC..SBendtrans-102.4150.1172.7-172.70000108.8L274 H334 D338 A361L274-V340 HydrophobicContact CD2-CG1 4.45Å; H334-V340 PolarHBondContact ND1-O 3.04Å; D338-V340 VanDerWaalsContact C-N 3.25Å; D338-V340 PolarHBondContact O-N 2.78Å; D338-V340 WeakPolarHBondContact OD1-CA 3.4Å; D338-V340 WeakPolarHBondContact OD1-CB 3.18Å; D338-V340 PolarHBondContact OD1-N 3.24Å; V340-A361 HydrophobicContact CB-CB 4.23Å; V340-A361 HydrophobicContact CG2-CB 4.09Å
341L93.8Very high90.9Very high16 Ų1635.4 Ų35.48%0.08423%0.233CC..PPolyproline II helixtrans-79.2129.2176.4-70.2164.1000110.2L274 A276 H334 G360L274-L341 HydrophobicContact CD1-CB 4.17Å; L274-L341 HydrophobicContact CG-CB 4.5Å; A276-L341 HydrophobicContact CB-CD1 4Å; A276-L341 HydrophobicContact CB-CD2 3.95Å; H334-L341 WeakPolarHBondContact NE2-CD2 3.12Å; L341-G360 WeakPolarHBondContact O-CA 3.4Å
342D95.1Very high90.7Very high0 Ų038.1 Ų38.10%025%0.246CC..EExtended strand (participates in β ladder)trans-90.3156.8175.1-55.9-54.6000110.9L332 G333 F335 N336 I357 S359 G360 L366L332-D342 WeakPolarHBondContact CA-O 3.43Å; G333-D342 PolarHBondContact N-O 2.84Å; G333-D342 WeakPolarHBondContact O-CA 3.47Å; G333-D342 WeakPolarHBondContact O-CB 3.47Å; G333-D342 PolarHBondContact O-N 2.78Å; F335-D342 WeakPolarHBondContact CA-OD2 3.31Å; F335-D342 HydrophobicContact CB-CB 4.05Å; F335-D342 VanDerWaalsContact CB-OD2 3.24Å; F335-D342 WeakPolarHBondContact CB-OD2 3.08Å; F335-D342 PolarHBondContact N-OD2 2.81Å; N336-D342 PolarHBondContact N-OD2 2.89Å; D342-I357 HydrophobicContact CB-CG2 4Å; D342-S359 VanDerWaalsContact OD1-CA 3.23Å; D342-S359 WeakPolarHBondContact OD1-CA 3.33Å; D342-G360 PolarHBondContact OD1-N 3.35Å; D342-L366 HydrophobicContact CB-CD1 4.41Å
343L94.3Very high90.6Very high0 Ų038.2 Ų38.20%025%0.246CC..EExtended strand (participates in β ladder)trans-109.5115.6-172-6284.9000110.1L274 V299 L307 W319 P330 L332 I357 V358L274-L343 HydrophobicContact CD1-CD1 4.38Å; V299-L343 HydrophobicContact CB-CD2 4.35Å; V299-L343 HydrophobicContact CG1-CD2 3.64Å; V299-L343 HydrophobicContact CG2-CD2 3.73Å; L307-L343 HydrophobicContact CD1-CD2 3.63Å; L307-L343 HydrophobicContact CD2-CD2 3.64Å; L307-L343 HydrophobicContact CG-CD2 4.22Å; W319-L343 HydrophobicContact CH2-CD1 4.07Å; W319-L343 HydrophobicContact CZ2-CD1 4.1Å; P330-L343 HydrophobicContact CB-CB 4.28Å; P330-L343 HydrophobicContact CB-CD2 4.29Å; L332-L343 HydrophobicContact CD2-CD2 4.36Å; L332-L343 HydrophobicContact CD2-CG 3.83Å; L343-I357 CarbonylContact O-C 3.56Å; L343-I357 WeakPolarHBondContact O-CA 3.47Å; L343-V358 PolarHBondContact N-O 3.34Å; L343-V358 PolarHBondContact O-N 3.19Å
344F93.5Very high90.5Very high1 Ų138.5 Ų38.50%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-89121.4169.2-176.3-79000109.6P330 A331 Q346 A355 L356 I357 W367 A380 F392 F394P330-F344 CarbonylContact C-O 3.55Å; P330-F344 VanDerWaalsContact CA-O 3.22Å; P330-F344 WeakPolarHBondContact CA-O 3.24Å; A331-F344 HydrophobicContact CB-CB 4.22Å; A331-F344 PolarHBondContact N-O 2.74Å; A331-F344 PolarHBondContact O-N 2.79Å; F344-Q346 HydrophobicContact CD1-CG 4.27Å; F344-Q346 HydrophobicContact CE1-CG 3.49Å; F344-Q346 VanDerWaalsContact CE1-CG 3.49Å; F344-Q346 HydrophobicContact CZ-CG 4.24Å; F344-A355 HydrophobicContact CE2-CB 4.15Å; F344-A355 HydrophobicContact CZ-CB 3.69Å; F344-L356 WeakPolarHBondContact CA-O 3.45Å; F344-I357 HydrophobicContact CB-CG1 4.26Å; F344-I357 HydrophobicContact CD2-CD1 3.96Å; F344-I357 HydrophobicContact CD2-CG1 3.55Å; F344-I357 HydrophobicContact CE2-CG1 4.36Å; F344-I357 HydrophobicContact CG-CG1 4.31Å; F344-W367 HydrophobicContact CE2-CZ3 4.18Å; F344-A380 HydrophobicContact CD1-CB 3.31Å; F344-A380 HydrophobicContact CE1-CB 3.38Å; F344-A380 HydrophobicContact CG-CB 4.28Å; F344-A380 HydrophobicContact CZ-CB 4.4Å; F344-F392 HydrophobicContact CB-CD1 3.57Å; F344-F392 HydrophobicContact CB-CE1 3.79Å; F344-F392 HydrophobicContact CD2-CB 4.01Å; F344-F392 AromaticContact CD2-CD1 3.9Å; F344-F392 HydrophobicContact CD2-CD1 3.9Å; F344-F392 HydrophobicContact CD2-CG 4.08Å; F344-F392 HydrophobicContact CE2-CB 4.32Å; F344-F392 AromaticContact CG-CD1 3.99Å; F344-F392 HydrophobicContact CG-CD1 3.99Å; F344-F394 HydrophobicContact CE1-CB 3.95Å; F344-F394 HydrophobicContact CE1-CD1 4.32Å; F344-F394 HydrophobicContact CE1-CG 4.13Å; F344-F394 AromaticContact CE2-CD1 3.75Å; F344-F394 HydrophobicContact CE2-CD1 3.75Å; F344-F394 AromaticContact CE2-CE1 3.96Å; F344-F394 HydrophobicContact CE2-CE1 3.96Å; F344-F394 HydrophobicContact CE2-CG 4.3Å; F344-F394 HydrophobicContact CZ-CB 3.83Å; F344-F394 AromaticContact CZ-CD1 3.4Å; F344-F394 HydrophobicContact CZ-CD1 3.4Å; F344-F394 VanDerWaalsContact CZ-CD1 3.4Å; F344-F394 HydrophobicContact CZ-CD2 4.05Å; F344-F394 AromaticContact CZ-CE1 3.91Å; F344-F394 HydrophobicContact CZ-CE1 3.91Å; F344-F394 HydrophobicContact CZ-CE2 4.48Å; F344-F394 AromaticContact CZ-CG 3.48Å; F344-F394 HydrophobicContact CZ-CG 3.48Å; F344-F394 VanDerWaalsContact CZ-CG 3.48Å; F344-F394 HydrophobicContact CZ-CZ 4.42Å
345V91.3Very high90.4Very high1 Ų136.5 Ų36.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-127.7148.6179.6-63.60000111L307 I326 P330 L356 V358L307-V345 HydrophobicContact CD1-CG1 4.38Å; I326-V345 HydrophobicContact CD1-CB 4.37Å; I326-V345 HydrophobicContact CD1-CG1 4.46Å; I326-V345 HydrophobicContact CD1-CG2 4.16Å; I326-V345 HydrophobicContact CG1-CG2 4.49Å; I326-V345 HydrophobicContact CG2-CB 3.98Å; I326-V345 HydrophobicContact CG2-CG1 4.23Å; P330-V345 HydrophobicContact CB-CG1 3.77Å; P330-V345 HydrophobicContact CG-CG1 3.82Å; V345-L356 HydrophobicContact CG2-CB 3.97Å; V345-L356 HydrophobicContact CG2-CD2 4.04Å; V345-L356 HydrophobicContact CG2-CG 4.33Å; V345-L356 PolarHBondContact N-O 3.3Å; V345-L356 PolarHBondContact O-N 3.24Å; V345-V358 HydrophobicContact CG2-CG2 4.49Å
346Q89.4Confident90.3Very high7 Ų735.7 Ų35.73%0.03324%0.235CC..EExtended strand (participates in β ladder)trans-120.9135.6174-58.3170.1-49.100110.3H327 S328 F344 M353 T354 L378H327-Q346 PolarHBondContact N-O 2.78Å; S328-Q346 WeakPolarHBondContact OG-CB 3.15Å; S328-Q346 PolarHBondContact OG-N 3.11Å; S328-Q346 PolarHBondContact OG-O 2.86Å; F344-Q346 HydrophobicContact CD1-CG 4.27Å; F344-Q346 HydrophobicContact CE1-CG 3.49Å; F344-Q346 VanDerWaalsContact CE1-CG 3.49Å; F344-Q346 HydrophobicContact CZ-CG 4.24Å; Q346-M353 HydrophobicContact CG-CE 4.15Å; Q346-T354 WeakPolarHBondContact CA-O 3.31Å; Q346-L378 PolarHBondContact OE1-O 3.09Å
347H86.4Confident90.4Very high16 Ų1633.6 Ų33.67%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-130.3154.3168.567.989.5000110.2N323 S325 M353 T354N323-H347 PolarHBondContact ND2-NE2 3.44Å; S325-H347 WeakPolarHBondContact O-CB 3.42Å; H347-M353 CarbonylContact O-C 3.39Å; H347-M353 WeakPolarHBondContact O-CA 3.49Å; H347-T354 WeakPolarHBondContact CE1-CB 3.29Å; H347-T354 PolarHBondContact CE1-OG1 3.4Å; H347-T354 VanDerWaalsContact CE1-OG1 3.29Å; H347-T354 PolarHBondContact N-O 2.82Å; H347-T354 VanDerWaalsContact NE2-CB 3.28Å; H347-T354 WeakPolarHBondContact NE2-CB 3.31Å; H347-T354 WeakPolarHBondContact NE2-CG2 3.46Å; H347-T354 PolarHBondContact O-N 2.84Å
348S85.1Confident90.6Very high30 Ų3028.2 Ų28.221%0.2119%0.186CC..EExtended strand (participates in β ladder)trans-136.2129.2177.363.40000110.8I352S348-I352 CarbonylContact C-O 3.49Å; S348-I352 WeakPolarHBondContact CA-O 3.4Å
349A84.5Confident90.7Very high44 Ų4425.3 Ų25.336%0.36417%0.171SC..EExtended strand (participates in β ladder)trans-146.4144.3176.800000109.6G351 I352A349-G351 PolarHBondContact O-N 3.34Å; A349-G351 VanDerWaalsContact O-N 3.12Å; A349-I352 PolarHBondContact N-O 3.34Å; A349-I352 PolarHBondContact O-N 2.89Å; A349-I352 VanDerWaalsContact O-O 3.11Å
350N85.1Confident90.9Very high167 Ų16722.4 Ų22.489%0.89314%0.141SC*.THydrogen-bonded Turntrans52.836.4174.3-55.8-35.2000114.5I352N350-I352 PolarHBondContact O-N 2.92Å
351G85.1Confident91Very high51 Ų5122.3 Ų22.353%0.52615%0.146SC..THydrogen-bonded Turntrans75.85.6-178.800000115A349 C373A349-G351 PolarHBondContact O-N 3.34Å; A349-G351 VanDerWaalsContact O-N 3.12Å; G351-C373 WeakPolarHBondContact O-CB 3.17Å; G351-C373 PolarHBondContact O-N 3.08Å
352I88.4Confident90.9Very high61 Ų6124.3 Ų24.331%0.31316%0.161SC..EExtended strand (participates in β ladder)trans-108.3133.5174.5-60177.2000108.7S348 A349 N350 E370 F371 I400S348-I352 CarbonylContact C-O 3.49Å; S348-I352 WeakPolarHBondContact CA-O 3.4Å; A349-I352 PolarHBondContact N-O 3.34Å; A349-I352 PolarHBondContact O-N 2.89Å; A349-I352 VanDerWaalsContact O-O 3.11Å; N350-I352 PolarHBondContact O-N 2.92Å; I352-E370 HydrophobicContact CG2-CB 4.06Å; I352-E370 HydrophobicContact CG2-CG 4.25Å; I352-F371 WeakPolarHBondContact CA-O 3.5Å; I352-I400 HydrophobicContact CB-CD1 4.32Å; I352-I400 HydrophobicContact CD1-CD1 4.24Å; I352-I400 HydrophobicContact CG1-CD1 3.8Å; I352-I400 HydrophobicContact CG2-CD1 3.93Å
353M90Very high90.8Very high9 Ų924.6 Ų24.64%0.04416%0.164CC..EExtended strand (participates in β ladder)trans-103.4130.8167.7175.1-86.9-139.700108.5Q346 H347 A355 E370 F371 C373 F394 W395 A396Q346-M353 HydrophobicContact CG-CE 4.15Å; H347-M353 CarbonylContact O-C 3.39Å; H347-M353 WeakPolarHBondContact O-CA 3.49Å; M353-A355 HydrophobicContact SD-CB 4.44Å; M353-E370 CarbonylContact O-C 3.51Å; M353-E370 WeakPolarHBondContact O-CA 3.19Å; M353-F371 PolarHBondContact N-O 2.92Å; M353-F371 PolarHBondContact O-N 2.81Å; M353-F371 HydrophobicContact SD-CB 4.16Å; M353-F371 HydrophobicContact SD-CD2 3.65Å; M353-F371 HydrophobicContact SD-CE2 4.47Å; M353-F371 HydrophobicContact SD-CG 4.23Å; M353-C373 HydrophobicContact CB-CB 4.39Å; M353-F394 HydrophobicContact CE-CD2 4.29Å; M353-W395 WeakPolarHBondContact CE-O 3.5Å; M353-A396 HydrophobicContact CE-CB 3.79Å; M353-A396 HydrophobicContact SD-CB 4.38Å
354T91.2Very high90.8Very high6 Ų628 Ų284%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-111.6124.4175.6-590000108.6Q346 H347 K368 A369Q346-T354 WeakPolarHBondContact CA-O 3.31Å; H347-T354 WeakPolarHBondContact CE1-CB 3.29Å; H347-T354 PolarHBondContact CE1-OG1 3.4Å; H347-T354 VanDerWaalsContact CE1-OG1 3.29Å; H347-T354 PolarHBondContact N-O 2.82Å; H347-T354 VanDerWaalsContact NE2-CB 3.28Å; H347-T354 WeakPolarHBondContact NE2-CB 3.31Å; H347-T354 WeakPolarHBondContact NE2-CG2 3.46Å; H347-T354 PolarHBondContact O-N 2.84Å; T354-K368 HydrophobicContact CG2-CD 4.17Å; T354-K368 VanDerWaalsContact CG2-CE 3.46Å; T354-K368 HydrophobicContact CG2-CG 3.81Å; T354-A369 WeakPolarHBondContact CA-O 3.12Å
355A92.7Very high90.8Very high0 Ų031.9 Ų31.90%021%0.21CC..EExtended strand (participates in β ladder)trans-96.2129.9166.400000108.4F344 M353 W367 K368 A369 F371 F394F344-A355 HydrophobicContact CE2-CB 4.15Å; F344-A355 HydrophobicContact CZ-CB 3.69Å; M353-A355 HydrophobicContact SD-CB 4.44Å; A355-W367 HydrophobicContact CB-CH2 4.09Å; A355-W367 HydrophobicContact CB-CZ3 3.66Å; A355-W367 WeakPolarHBondContact O-CZ3 3.36Å; A355-K368 WeakPolarHBondContact O-CA 3.15Å; A355-A369 PolarHBondContact N-O 3.3Å; A355-A369 PolarHBondContact O-N 3.21Å; A355-F371 HydrophobicContact CB-CE2 3.99Å; A355-F394 HydrophobicContact CB-CE2 4.23Å; A355-F394 HydrophobicContact CB-CZ 4.48Å
356L93.5Very high91Very high5 Ų534.8 Ų34.83%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-136.3137.1-174.3177.676000109.7F321 F344 V345 V358 P365 W367 K368F321-L356 HydrophobicContact CE1-CD2 3.58Å; F321-L356 HydrophobicContact CZ-CD2 3.5Å; F321-L356 VanDerWaalsContact CZ-CD2 3.5Å; F344-L356 WeakPolarHBondContact CA-O 3.45Å; V345-L356 HydrophobicContact CG2-CB 3.97Å; V345-L356 HydrophobicContact CG2-CD2 4.04Å; V345-L356 HydrophobicContact CG2-CG 4.33Å; V345-L356 PolarHBondContact N-O 3.3Å; V345-L356 PolarHBondContact O-N 3.24Å; L356-V358 HydrophobicContact CD2-CG2 3.65Å; L356-V358 HydrophobicContact CG-CG2 3.96Å; L356-P365 HydrophobicContact CD1-CB 3.93Å; L356-W367 WeakPolarHBondContact CA-O 3.27Å; L356-W367 WeakPolarHBondContact CD1-O 3.46Å; L356-K368 HydrophobicContact CD1-CB 4.03Å; L356-K368 HydrophobicContact CD1-CG 4.31Å
357I95.3Very high91.3Very high0 Ų035.4 Ų35.40%023%0.228CC..EExtended strand (participates in β ladder)trans-109.6127.4168-65.8161.5000108.6F335 D342 L343 F344 L366 W367 F392 L428F335-I357 HydrophobicContact CB-CG2 3.9Å; F335-I357 HydrophobicContact CD1-CG2 4.42Å; F335-I357 HydrophobicContact CD2-CD1 3.4Å; F335-I357 HydrophobicContact CD2-CG2 4.32Å; F335-I357 HydrophobicContact CE2-CD1 3.53Å; F335-I357 HydrophobicContact CG-CD1 4.16Å; F335-I357 HydrophobicContact CG-CG2 3.97Å; F335-I357 HydrophobicContact CZ-CD1 4.39Å; D342-I357 HydrophobicContact CB-CG2 4Å; L343-I357 CarbonylContact O-C 3.56Å; L343-I357 WeakPolarHBondContact O-CA 3.47Å; F344-I357 HydrophobicContact CB-CG1 4.26Å; F344-I357 HydrophobicContact CD2-CD1 3.96Å; F344-I357 HydrophobicContact CD2-CG1 3.55Å; F344-I357 HydrophobicContact CE2-CG1 4.36Å; F344-I357 HydrophobicContact CG-CG1 4.31Å; I357-L366 HydrophobicContact CG2-CB 4.17Å; I357-L366 HydrophobicContact CG2-CD1 4.31Å; I357-L366 PolarHBondContact O-N 2.79Å; I357-W367 HydrophobicContact CB-CB 4.2Å; I357-W367 HydrophobicContact CD1-CB 4.12Å; I357-W367 HydrophobicContact CD1-CD2 4.3Å; I357-W367 HydrophobicContact CD1-CE3 3.94Å; I357-W367 HydrophobicContact CD1-CG 4.42Å; I357-W367 HydrophobicContact CG1-CE3 4.19Å; I357-W367 PolarHBondContact N-O 2.93Å; I357-W367 PolarHBondContact O-N 2.85Å; I357-F392 HydrophobicContact CD1-CD2 4.19Å; I357-F392 HydrophobicContact CD1-CE2 4.29Å; I357-L428 HydrophobicContact CD1-CD2 3.54Å
358V94.9Very high91.6Very high1 Ų140.3 Ų40.31%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-112.4133.5179.1-177.30000108.7W319 F321 L343 V345 L356 G360 G363W319-V358 HydrophobicContact CH2-CG1 4.16Å; W319-V358 HydrophobicContact CZ3-CG1 4.31Å; F321-V358 HydrophobicContact CB-CG1 4.31Å; F321-V358 HydrophobicContact CD1-CG1 4.44Å; F321-V358 HydrophobicContact CD1-CG2 3.94Å; F321-V358 HydrophobicContact CD2-CG1 4.36Å; F321-V358 HydrophobicContact CE1-CG2 3.81Å; F321-V358 HydrophobicContact CG-CG1 4.12Å; F321-V358 HydrophobicContact CG-CG2 4.35Å; F321-V358 HydrophobicContact CZ-CG2 4.14Å; L343-V358 PolarHBondContact N-O 3.34Å; L343-V358 PolarHBondContact O-N 3.19Å; V345-V358 HydrophobicContact CG2-CG2 4.49Å; L356-V358 HydrophobicContact CD2-CG2 3.65Å; L356-V358 HydrophobicContact CG-CG2 3.96Å; V358-G360 PolarHBondContact O-N 2.84Å; V358-G363 WeakPolarHBondContact CG1-O 3.41Å
359S94.9Very high92Very high4 Ų439.4 Ų39.43%0.02824%0.243CC..  trans-63.4128.9178.5176.60000111.2W319 D342 A361 S362 G363 T364W319-S359 WeakPolarHBondContact CZ2-O 3.39Å; D342-S359 VanDerWaalsContact OD1-CA 3.23Å; D342-S359 WeakPolarHBondContact OD1-CA 3.33Å; S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 3.31Å; S359-A361 PolarHBondContact OG-N 2.78Å; S359-S362 WeakPolarHBondContact CB-OG 3.25Å; S359-S362 PolarHBondContact OG-OG 2.89Å; S359-G363 VanDerWaalsContact O-CA 3.32Å; S359-G363 WeakPolarHBondContact O-CA 3.49Å; S359-G363 PolarHBondContact O-N 2.91Å; S359-T364 PolarHBondContact N-O 2.88Å
360G93.2Very high92.4Very high1 Ų140.7 Ų40.71%0.0124%0.242CC..THydrogen-bonded Turntrans-66.4-28.7174.500000113.8W319 L341 D342 V358W319-G360 PolarHBondContact NE1-O 2.83Å; L341-G360 WeakPolarHBondContact O-CA 3.4Å; D342-G360 PolarHBondContact OD1-N 3.35Å; V358-G360 PolarHBondContact O-N 2.84Å
361A92.8Very high92.7Very high49 Ų4932.8 Ų32.841%0.40520%0.199SC..THydrogen-bonded Turntrans-80.2-35.3-176.800000113V340 S359V340-A361 HydrophobicContact CB-CB 4.23Å; V340-A361 HydrophobicContact CG2-CB 4.09Å; S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 3.31Å; S359-A361 PolarHBondContact OG-N 2.78Å
362S93Very high92.9Very high57 Ų5733.6 Ų33.640%0.39919%0.194SC..THydrogen-bonded Turntrans-126.6-16-169.166.10000115S359 T364S359-S362 WeakPolarHBondContact CB-OG 3.25Å; S359-S362 PolarHBondContact OG-OG 2.89Å; S362-T364 PolarHBondContact O-N 3.04Å; S362-T364 PolarHBondContact OG-N 2.91Å; S362-T364 PolarHBondContact OG-OG1 3.33Å
363G92.5Very high92.7Very high7 Ų731.7 Ų31.77%0.07219%0.185CC..  trans74.19.3-171.300000114.6W319 F321 V358 S359W319-G363 VanDerWaalsContact CD2-CA 3.43Å; F321-G363 VanDerWaalsContact CD2-O 3.23Å; F321-G363 WeakPolarHBondContact CD2-O 3.43Å; V358-G363 WeakPolarHBondContact CG1-O 3.41Å; S359-G363 VanDerWaalsContact O-CA 3.32Å; S359-G363 WeakPolarHBondContact O-CA 3.49Å; S359-G363 PolarHBondContact O-N 2.91Å
364T93.8Very high92.1Very high71 Ų7131.4 Ų31.444%0.43619%0.185SC..  trans-83.2143.9178.859.50000111.7S359 S362 L366S359-T364 PolarHBondContact N-O 2.88Å; S362-T364 PolarHBondContact O-N 3.04Å; S362-T364 PolarHBondContact OG-N 2.91Å; S362-T364 PolarHBondContact OG-OG1 3.33Å; T364-L366 PolarHBondContact O-N 3.25Å
365P94.1Very high91.4Very high83 Ų8339.5 Ų39.554%0.53921%0.214SC..EExtended strand (participates in β ladder)trans-66.3129174.929-34.6000110.8L356L356-P365 HydrophobicContact CD1-CB 3.93Å
366L95.1Very high90.4Very high61 Ų6141.2 Ų41.232%0.31922%0.223SC..EExtended strand (participates in β ladder)trans-102.1-33179.1-63.7-180000112.7F335 D342 I357 T364F335-L366 HydrophobicContact CB-CD1 4.4Å; F335-L366 HydrophobicContact CD1-CB 3.93Å; F335-L366 HydrophobicContact CD1-CD1 3.98Å; F335-L366 HydrophobicContact CE1-CB 4.08Å; D342-L366 HydrophobicContact CB-CD1 4.41Å; I357-L366 HydrophobicContact CG2-CB 4.17Å; I357-L366 HydrophobicContact CG2-CD1 4.31Å; I357-L366 PolarHBondContact O-N 2.79Å; T364-L366 PolarHBondContact O-N 3.25Å
367W95.6Very high89.2Confident21 Ų2144.5 Ų44.58%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-154.5144.5-178.8177.192.3000110.8F335 F344 A355 L356 I357 A369 F394 L428 P433 L436 L497F335-W367 HydrophobicContact CE1-CB 4.18Å; F335-W367 HydrophobicContact CE2-CB 4.19Å; F335-W367 HydrophobicContact CE2-CG 4.46Å; F335-W367 HydrophobicContact CZ-CB 3.68Å; F335-W367 HydrophobicContact CZ-CG 4.15Å; F344-W367 HydrophobicContact CE2-CZ3 4.18Å; A355-W367 HydrophobicContact CB-CH2 4.09Å; A355-W367 HydrophobicContact CB-CZ3 3.66Å; A355-W367 WeakPolarHBondContact O-CZ3 3.36Å; L356-W367 WeakPolarHBondContact CA-O 3.27Å; L356-W367 WeakPolarHBondContact CD1-O 3.46Å; I357-W367 HydrophobicContact CB-CB 4.2Å; I357-W367 HydrophobicContact CD1-CB 4.12Å; I357-W367 HydrophobicContact CD1-CD2 4.3Å; I357-W367 HydrophobicContact CD1-CE3 3.94Å; I357-W367 HydrophobicContact CD1-CG 4.42Å; I357-W367 HydrophobicContact CG1-CE3 4.19Å; I357-W367 PolarHBondContact N-O 2.93Å; I357-W367 PolarHBondContact O-N 2.85Å; W367-A369 HydrophobicContact CH2-CB 3.41Å; W367-A369 VanDerWaalsContact CH2-CB 3.41Å; W367-A369 HydrophobicContact CZ2-CB 3.47Å; W367-A369 VanDerWaalsContact CZ2-CB 3.47Å; W367-A369 HydrophobicContact CZ3-CB 4.17Å; W367-F394 HydrophobicContact CH2-CZ 4.17Å; W367-L428 HydrophobicContact CD2-CD2 3.8Å; W367-L428 HydrophobicContact CE3-CD2 3.88Å; W367-L428 HydrophobicContact CG-CD2 4.44Å; W367-L428 HydrophobicContact CH2-CD2 3.94Å; W367-L428 HydrophobicContact CZ2-CD1 4.13Å; W367-L428 HydrophobicContact CZ2-CD2 3.86Å; W367-L428 HydrophobicContact CZ3-CD2 3.95Å; W367-P433 PolarHBondContact NE1-O 3.21Å; W367-L436 HydrophobicContact CZ2-CD2 4.29Å; W367-L497 HydrophobicContact CZ2-CD1 3.66Å
368K93.8Very high88.4Confident119 Ų11944.9 Ų44.952%0.51725%0.245SC..EExtended strand (participates in β ladder)trans-145.1137.6178.8-176.2-173.6170.8-164.40110.4T354 A355 L356 E370T354-K368 HydrophobicContact CG2-CD 4.17Å; T354-K368 VanDerWaalsContact CG2-CE 3.46Å; T354-K368 HydrophobicContact CG2-CG 3.81Å; A355-K368 WeakPolarHBondContact O-CA 3.15Å; L356-K368 HydrophobicContact CD1-CB 4.03Å; L356-K368 HydrophobicContact CD1-CG 4.31Å; K368-E370 VanDerWaalsContact CE-OE1 3.23Å; K368-E370 WeakPolarHBondContact CE-OE1 3.42Å; K368-E370 IonicContact NZ-OE1 2.98Å; K368-E370 PolarHBondContact NZ-OE1 2.83Å
369A93.1Very high87.9Confident11 Ų1148.3 Ų48.39%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-142.7153.8166.200000111.7T354 A355 W367 F371 L497T354-A369 WeakPolarHBondContact CA-O 3.12Å; A355-A369 PolarHBondContact N-O 3.3Å; A355-A369 PolarHBondContact O-N 3.21Å; W367-A369 HydrophobicContact CH2-CB 3.41Å; W367-A369 VanDerWaalsContact CH2-CB 3.41Å; W367-A369 HydrophobicContact CZ2-CB 3.47Å; W367-A369 VanDerWaalsContact CZ2-CB 3.47Å; W367-A369 HydrophobicContact CZ3-CB 4.17Å; A369-F371 HydrophobicContact CB-CE2 3.74Å; A369-F371 HydrophobicContact CB-CZ 4.04Å; A369-L497 HydrophobicContact CB-CD1 4Å; A369-L497 HydrophobicContact CB-CD2 4.17Å
370E92.6Very high87.7Confident71 Ų7148.4 Ų48.433%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-117.3141.5-178.3-66.6-179.517900110.9I352 M353 K368 P399 I400I352-E370 HydrophobicContact CG2-CB 4.06Å; I352-E370 HydrophobicContact CG2-CG 4.25Å; M353-E370 CarbonylContact O-C 3.51Å; M353-E370 WeakPolarHBondContact O-CA 3.19Å; K368-E370 VanDerWaalsContact CE-OE1 3.23Å; K368-E370 WeakPolarHBondContact CE-OE1 3.42Å; K368-E370 IonicContact NZ-OE1 2.98Å; K368-E370 PolarHBondContact NZ-OE1 2.83Å; E370-P399 WeakPolarHBondContact O-CA 3.42Å; E370-I400 HydrophobicContact CB-CB 4.38Å; E370-I400 PolarHBondContact O-N 2.86Å
371F90.9Very high87.7Confident0 Ų048.4 Ų48.40%026%0.262CS..EExtended strand (participates in β ladder)trans-136.3156.1-175.3-57.9-95.9000110.1I352 M353 A355 A369 C373 F394 A396 E398 P399 I400 F426 L436I352-F371 WeakPolarHBondContact CA-O 3.5Å; M353-F371 PolarHBondContact N-O 2.92Å; M353-F371 PolarHBondContact O-N 2.81Å; M353-F371 HydrophobicContact SD-CB 4.16Å; M353-F371 HydrophobicContact SD-CD2 3.65Å; M353-F371 HydrophobicContact SD-CE2 4.47Å; M353-F371 HydrophobicContact SD-CG 4.23Å; A355-F371 HydrophobicContact CB-CE2 3.99Å; A369-F371 HydrophobicContact CB-CE2 3.74Å; A369-F371 HydrophobicContact CB-CZ 4.04Å; F371-C373 PolarHBondContact O-N 2.95Å; F371-F394 HydrophobicContact CE1-CE2 4.35Å; F371-F394 AromaticContact CE2-CE2 3.84Å; F371-F394 HydrophobicContact CE2-CE2 3.84Å; F371-F394 HydrophobicContact CE2-CZ 4.28Å; F371-F394 AromaticContact CZ-CE2 3.65Å; F371-F394 HydrophobicContact CZ-CE2 3.65Å; F371-F394 AromaticContact CZ-CZ 3.89Å; F371-F394 HydrophobicContact CZ-CZ 3.89Å; F371-A396 HydrophobicContact CB-CB 4.07Å; F371-A396 HydrophobicContact CD1-CB 3.61Å; F371-A396 HydrophobicContact CD2-CB 4.16Å; F371-A396 HydrophobicContact CE1-CB 4.04Å; F371-A396 HydrophobicContact CG-CB 3.68Å; F371-A396 HydrophobicContact CZ-CB 4.49Å; F371-E398 WeakPolarHBondContact CA-O 3.17Å; F371-P399 HydrophobicContact CD1-CB 4.01Å; F371-P399 HydrophobicContact CD1-CG 4.35Å; F371-P399 HydrophobicContact CE1-CB 3.98Å; F371-P399 HydrophobicContact CE1-CG 4.17Å; F371-I400 WeakPolarHBondContact O-CD1 3.34Å; F371-F426 HydrophobicContact CD1-CE2 4.38Å; F371-F426 HydrophobicContact CE1-CD2 4.3Å; F371-F426 HydrophobicContact CE1-CE2 4.09Å; F371-L436 HydrophobicContact CE1-CD1 3.83Å; F371-L436 HydrophobicContact CZ-CD1 3.64Å
372V89.7Confident87.7Confident68 Ų6846.1 Ų46.141%0.41224%0.243SC..EExtended strand (participates in β ladder)trans-61.7129.8165.7179.60000108.2P374 S397 E398 I400 L421V372-P374 VanDerWaalsContact O-CD 3.3Å; V372-P374 WeakPolarHBondContact O-CD 3.27Å; V372-P374 VanDerWaalsContact O-N 3.16Å; V372-S397 WeakPolarHBondContact O-CB 3.48Å; V372-S397 PolarHBondContact O-OG 3.29Å; V372-E398 PolarHBondContact N-O 3.42Å; V372-I400 HydrophobicContact CG2-CG1 4.11Å; V372-L421 HydrophobicContact CG1-CD2 4.47Å
373C84.6Confident87.7Confident21 Ų2143.4 Ų43.414%0.14222%0.224CC..  trans-62119-174179.90000111G351 M353 F371 R375 L421G351-C373 WeakPolarHBondContact O-CB 3.17Å; G351-C373 PolarHBondContact O-N 3.08Å; M353-C373 HydrophobicContact CB-CB 4.39Å; F371-C373 PolarHBondContact O-N 2.95Å; C373-R375 PolarHBondContact O-N 3.06Å; C373-L421 WeakPolarHBondContact O-CD2 3.27Å
374P77Confident87.6Confident4 Ų443.2 Ų43.23%0.02622%0.222CC..  trans-70.71.5-17828.3-34.2000114.3V372 L376 S397 R423V372-P374 VanDerWaalsContact O-CD 3.3Å; V372-P374 WeakPolarHBondContact O-CD 3.27Å; V372-P374 VanDerWaalsContact O-N 3.16Å; P374-L376 WeakPolarHBondContact CG-O 3.48Å; P374-L376 PolarHBondContact O-N 2.82Å; P374-L376 VanDerWaalsContact O-N 3.08Å; P374-S397 VanDerWaalsContact CA-OG 3.22Å; P374-S397 WeakPolarHBondContact CA-OG 3.09Å; P374-S397 WeakPolarHBondContact CB-OG 3.37Å; P374-R423 HydrophobicContact CB-CG 4.22Å; P374-R423 PolarHBondContact O-NE 3.05Å
375R77.1Confident87.5Confident176 Ų17639.8 Ų39.866%0.66420%0.201SC*.SBendtrans51.229.8-175.8-62-167.6-94.7-109.613.2113.1C373C373-R375 PolarHBondContact O-N 3.06Å
376L70.2Confident87.2Confident36 Ų3639.1 Ų39.119%0.18820%0.198CC..  trans-155.3132.7178.7178.670.7000106.4P374 L378 T445 A446P374-L376 WeakPolarHBondContact CG-O 3.48Å; P374-L376 PolarHBondContact O-N 2.82Å; P374-L376 VanDerWaalsContact O-N 3.08Å; L376-L378 HydrophobicContact CD2-CD1 3.78Å; L376-L378 HydrophobicContact CD2-CG 4Å; L376-L378 HydrophobicContact CG-CD1 4.47Å; L376-L378 HydrophobicContact CG-CG 4.19Å; L376-T445 HydrophobicContact CD1-CG2 4.05Å; L376-T445 HydrophobicContact CD2-CG2 4.38Å; L376-A446 WeakPolarHBondContact CD2-O 3.46Å
377V69.7Low86.8Confident73 Ų7340.5 Ų40.544%0.44221%0.209SC..  trans-109.5110.4173.8-177.80000106.4
378L77.8Confident86.4Confident8 Ų841 Ų414%0.04222%0.221CC..  trans-105.6138.8168.9-76.7164.8000108Q346 L376 A380 W395 A446 V447Q346-L378 PolarHBondContact OE1-O 3.09Å; L376-L378 HydrophobicContact CD2-CD1 3.78Å; L376-L378 HydrophobicContact CD2-CG 4Å; L376-L378 HydrophobicContact CG-CD1 4.47Å; L376-L378 HydrophobicContact CG-CG 4.19Å; L378-A380 PolarHBondContact O-N 3.09Å; L378-W395 HydrophobicContact CB-CB 4.45Å; L378-W395 HydrophobicContact CD1-CB 4.07Å; L378-W395 VanDerWaalsContact CD1-CD1 3.46Å; L378-W395 HydrophobicContact CD1-CD2 4.28Å; L378-W395 HydrophobicContact CD1-CG 3.67Å; L378-A446 HydrophobicContact CD1-CB 3.34Å; L378-A446 HydrophobicContact CD2-CB 4.38Å; L378-A446 HydrophobicContact CG-CB 4.44Å; L378-V447 VanDerWaalsContact CD2-C 3.46Å
379E85.3Confident86.3Confident73 Ų7337.3 Ų37.334%0.34121%0.206SC..  trans-59.7135.9175.5-69168.7175.500109.9E329E329-E379 HydrophobicContact CB-CG 4.38Å
380A90.7Very high86.4Confident6 Ų636.8 Ų36.85%0.0520%0.201CC..  trans-73.8163172.500000109.9A331 F344 L378 L393 F394A331-A380 HydrophobicContact CB-CB 3.88Å; A331-A380 WeakPolarHBondContact CB-O 3.45Å; F344-A380 HydrophobicContact CD1-CB 3.31Å; F344-A380 HydrophobicContact CE1-CB 3.38Å; F344-A380 HydrophobicContact CG-CB 4.28Å; F344-A380 HydrophobicContact CZ-CB 4.4Å; L378-A380 PolarHBondContact O-N 3.09Å; A380-L393 CarbonylContact C-O 3.58Å; A380-L393 VanDerWaalsContact CA-O 3.29Å; A380-L393 WeakPolarHBondContact CA-O 3.48Å; A380-L393 WeakPolarHBondContact CB-O 3.35Å; A380-F394 HydrophobicContact CB-CB 3.96Å
381S92.3Very high86.6Confident2 Ų233.4 Ų33.41%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-128.2143.4173.4-52.70000109.9F392 L393S381-F392 CarbonylContact O-C 3.52Å; S381-F392 WeakPolarHBondContact O-CA 3.48Å; S381-L393 PolarHBondContact N-O 3.34Å; S381-L393 PolarHBondContact O-N 2.81Å
382A93Very high86.8Confident0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-111.2141.617200000109.7L332 V391 F392 Q526L332-A382 WeakPolarHBondContact O-CB 3.48Å; A382-V391 CarbonylContact C-O 3.6Å; A382-V391 VanDerWaalsContact CA-O 3.32Å; A382-V391 WeakPolarHBondContact CA-O 3.4Å; A382-F392 HydrophobicContact CB-CD1 3.95Å; A382-F392 HydrophobicContact CB-CE1 3.91Å; A382-Q526 PolarHBondContact O-NE2 2.91Å; A382-Q526 PolarHBondContact O-OE1 2.7Å
383I92.1Very high87Confident0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-135.6124.9-177.6-53-176.4000109.5T385 S390 V391 L393 V451 Y453 A460 L485 F523I383-T385 PolarHBondContact O-N 2.8Å; I383-S390 CarbonylContact O-C 3.53Å; I383-S390 WeakPolarHBondContact O-CA 3.44Å; I383-V391 HydrophobicContact CB-CG2 3.73Å; I383-V391 HydrophobicContact CG1-CG2 4.44Å; I383-V391 PolarHBondContact N-O 3.1Å; I383-V391 PolarHBondContact O-N 3.44Å; I383-L393 HydrophobicContact CD1-CD1 3.37Å; I383-L393 HydrophobicContact CG1-CD1 4.17Å; I383-V451 HydrophobicContact CD1-CB 4.25Å; I383-V451 HydrophobicContact CD1-CG1 3.42Å; I383-V451 VanDerWaalsContact CD1-CG1 3.42Å; I383-V451 HydrophobicContact CD1-CG2 3.76Å; I383-V451 HydrophobicContact CG1-CB 4.46Å; I383-V451 HydrophobicContact CG1-CG1 3.8Å; I383-V451 HydrophobicContact CG1-CG2 4.02Å; I383-Y453 WeakPolarHBondContact CA-OH 3.45Å; I383-Y453 HydrophobicContact CG2-CD1 4.39Å; I383-Y453 HydrophobicContact CG2-CE1 3.4Å; I383-A460 HydrophobicContact CD1-CB 4.33Å; I383-A460 HydrophobicContact CG2-CB 4.2Å; I383-L485 HydrophobicContact CD1-CD1 3.31Å; I383-F523 HydrophobicContact CG2-CB 4.17Å; I383-F523 HydrophobicContact CG2-CD1 3.64Å; I383-F523 HydrophobicContact CG2-CE1 4.41Å; I383-F523 HydrophobicContact CG2-CG 4.14Å
384S91.3Very high87.4Confident3 Ų329.2 Ų29.22%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-69.5132.8177.5-91.30000111.9F523 K524 Q526S384-F523 WeakPolarHBondContact O-CA 3.37Å; S384-K524 PolarHBondContact O-N 2.92Å; S384-Q526 WeakPolarHBondContact OG-CG 3.3Å
385T92.3Very high88.1Confident0 Ų029.6 Ų29.60%016%0.16CC..BIsolated β-bridgetrans-94.9163.5171.573.30000110.5I383 T387 G388 Q389 V391 L521 S522 F523 K524I383-T385 PolarHBondContact O-N 2.8Å; T385-T387 PolarHBondContact O-N 2.8Å; T385-T387 VanDerWaalsContact O-N 3.12Å; T385-T387 PolarHBondContact OG1-N 2.91Å; T385-T387 PolarHBondContact OG1-OG1 3.31Å; T385-G388 PolarHBondContact O-N 2.86Å; T385-G388 VanDerWaalsContact O-N 3.16Å; T385-Q389 VanDerWaalsContact CB-O 3.32Å; T385-Q389 WeakPolarHBondContact CB-O 3.25Å; T385-Q389 WeakPolarHBondContact CG2-O 3.48Å; T385-Q389 PolarHBondContact N-O 3.48Å; T385-Q389 PolarHBondContact OG1-O 2.89Å; T385-V391 HydrophobicContact CG2-CG1 3.72Å; T385-L521 HydrophobicContact CG2-CD2 4.29Å; T385-S522 CarbonylContact C-O 3.54Å; T385-S522 VanDerWaalsContact CA-O 3.27Å; T385-S522 WeakPolarHBondContact CA-O 3.31Å; T385-F523 HydrophobicContact CG2-CD1 4.39Å; T385-F523 HydrophobicContact CG2-CE1 4.4Å; T385-K524 VanDerWaalsContact O-CE 3.28Å; T385-K524 WeakPolarHBondContact O-CE 2.9Å
386S88Confident88.7Confident68 Ų6821.2 Ų21.248%0.47613%0.129SC..THydrogen-bonded Turntrans-61.9-16174.657.10000114.2G388 S522S386-G388 VanDerWaalsContact C-N 3.32Å; S386-S522 WeakPolarHBondContact CB-OG 3.35Å; S386-S522 PolarHBondContact N-O 2.85Å; S386-S522 PolarHBondContact OG-OG 3.37Å
387T85.9Confident89.6Confident91 Ų9119.7 Ų19.756%0.55812%0.121SC*.THydrogen-bonded Turntrans-86.5-3.7179.2640000112.9T385 Q389T385-T387 PolarHBondContact O-N 2.8Å; T385-T387 VanDerWaalsContact O-N 3.12Å; T385-T387 PolarHBondContact OG1-N 2.91Å; T385-T387 PolarHBondContact OG1-OG1 3.31Å; T387-Q389 VanDerWaalsContact C-N 3.34Å
388G87.1Confident90.5Very high32 Ų3220.8 Ų20.833%0.3312%0.122SC..SBendtrans94.7-22.7-178.900000113.9T385 S386T385-G388 PolarHBondContact O-N 2.86Å; T385-G388 VanDerWaalsContact O-N 3.16Å; S386-G388 VanDerWaalsContact C-N 3.32Å
389Q93Very high91Very high41 Ų4121.4 Ų21.419%0.19213%0.126CC..PPolyproline II helixtrans-77.5154.5171.4-69.7179-37.300111.1H334 T385 T387 H429 P430H334-Q389 CarbonylContact O-C 3.48Å; T385-Q389 VanDerWaalsContact CB-O 3.32Å; T385-Q389 WeakPolarHBondContact CB-O 3.25Å; T385-Q389 WeakPolarHBondContact CG2-O 3.48Å; T385-Q389 PolarHBondContact N-O 3.48Å; T385-Q389 PolarHBondContact OG1-O 2.89Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; Q389-H429 PolarHBondContact OE1-CE1 2.87Å; Q389-P430 HydrophobicContact CB-CG 4.21Å; Q389-P430 HydrophobicContact CG-CG 4.5Å
390S94.8Very high91.2Very high0 Ų021.3 Ų21.30%013%0.127CC..EExtended strand (participates in β ladder)trans-100.7140.6173.2-61.30000111.2H334 I383 P430H334-S390 PolarHBondContact N-OG 3.12Å; H334-S390 PolarHBondContact O-N 3.05Å; I383-S390 CarbonylContact O-C 3.53Å; I383-S390 WeakPolarHBondContact O-CA 3.44Å; S390-P430 VanDerWaalsContact O-CD 3.28Å; S390-P430 WeakPolarHBondContact O-CD 3.15Å
391V95.1Very high90.6Very high0 Ų029.2 Ų29.20%016%0.155CC..EExtended strand (participates in β ladder)trans-83.8150.1162-64.70000109.5A382 I383 T385 L427 L428 H429 L521 F523A382-V391 CarbonylContact C-O 3.6Å; A382-V391 VanDerWaalsContact CA-O 3.32Å; A382-V391 WeakPolarHBondContact CA-O 3.4Å; I383-V391 HydrophobicContact CB-CG2 3.73Å; I383-V391 HydrophobicContact CG1-CG2 4.44Å; I383-V391 PolarHBondContact N-O 3.1Å; I383-V391 PolarHBondContact O-N 3.44Å; T385-V391 HydrophobicContact CG2-CG1 3.72Å; V391-L427 HydrophobicContact CB-CD1 4.5Å; V391-L427 HydrophobicContact CB-CD2 4.11Å; V391-L427 HydrophobicContact CB-CG 4.12Å; V391-L427 HydrophobicContact CG1-CD2 3.88Å; V391-L427 HydrophobicContact CG1-CG 4.37Å; V391-L427 HydrophobicContact CG2-CD1 4.41Å; V391-L427 HydrophobicContact CG2-CG 4.48Å; V391-L428 CarbonylContact C-O 3.56Å; V391-L428 VanDerWaalsContact CA-O 3.26Å; V391-L428 WeakPolarHBondContact CA-O 3.42Å; V391-L428 WeakPolarHBondContact CB-O 3.18Å; V391-H429 HydrophobicContact CG1-CB 4.09Å; V391-H429 VanDerWaalsContact CG1-CD2 3.47Å; V391-H429 WeakPolarHBondContact CG1-CD2 3.08Å; V391-L521 HydrophobicContact CG1-CD1 4.12Å; V391-F523 HydrophobicContact CG1-CE1 4.46Å; V391-F523 HydrophobicContact CG2-CD1 4.41Å; V391-F523 HydrophobicContact CG2-CE1 3.77Å
392F95.1Very high88.7Confident0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-115.5125.5176-62.2-94.6000109.1F335 F344 I357 S381 A382 L427 L428F335-F392 HydrophobicContact CB-CE2 4.04Å; F335-F392 HydrophobicContact CB-CZ 4.25Å; F335-F392 HydrophobicContact CD2-CD2 4.36Å; F335-F392 AromaticContact CD2-CE2 3.87Å; F335-F392 HydrophobicContact CD2-CE2 3.87Å; F335-F392 HydrophobicContact CG-CE2 4.47Å; F344-F392 HydrophobicContact CB-CD1 3.57Å; F344-F392 HydrophobicContact CB-CE1 3.79Å; F344-F392 HydrophobicContact CD2-CB 4.01Å; F344-F392 AromaticContact CD2-CD1 3.9Å; F344-F392 HydrophobicContact CD2-CD1 3.9Å; F344-F392 HydrophobicContact CD2-CG 4.08Å; F344-F392 HydrophobicContact CE2-CB 4.32Å; F344-F392 AromaticContact CG-CD1 3.99Å; F344-F392 HydrophobicContact CG-CD1 3.99Å; I357-F392 HydrophobicContact CD1-CD2 4.19Å; I357-F392 HydrophobicContact CD1-CE2 4.29Å; S381-F392 CarbonylContact O-C 3.52Å; S381-F392 WeakPolarHBondContact O-CA 3.48Å; A382-F392 HydrophobicContact CB-CD1 3.95Å; A382-F392 HydrophobicContact CB-CE1 3.91Å; F392-L427 WeakPolarHBondContact O-CA 3.4Å; F392-L428 HydrophobicContact CB-CB 4.37Å; F392-L428 PolarHBondContact N-O 3.11Å; F392-L428 PolarHBondContact O-N 2.95Å
393L94.7Very high86.1Confident0 Ų041.4 Ų41.40%023%0.226CC..EExtended strand (participates in β ladder)trans-105.9129.4177.1-73.8162.6000109A380 S381 I383 L425 F426 L427 L439 Y462 L485A380-L393 CarbonylContact C-O 3.58Å; A380-L393 VanDerWaalsContact CA-O 3.29Å; A380-L393 WeakPolarHBondContact CA-O 3.48Å; A380-L393 WeakPolarHBondContact CB-O 3.35Å; S381-L393 PolarHBondContact N-O 3.34Å; S381-L393 PolarHBondContact O-N 2.81Å; I383-L393 HydrophobicContact CD1-CD1 3.37Å; I383-L393 HydrophobicContact CG1-CD1 4.17Å; L393-L425 HydrophobicContact CB-CD1 4.35Å; L393-L425 HydrophobicContact CD2-CD1 4.27Å; L393-L425 HydrophobicContact CD2-CG 4.34Å; L393-F426 VanDerWaalsContact CA-O 3.31Å; L393-F426 WeakPolarHBondContact CA-O 3.46Å; L393-L427 HydrophobicContact CD2-CB 3.83Å; L393-L427 HydrophobicContact CD2-CD1 4.14Å; L393-L427 HydrophobicContact CD2-CG 4.13Å; L393-L439 HydrophobicContact CD2-CD1 3.56Å; L393-Y462 HydrophobicContact CB-CE2 4.27Å; L393-Y462 HydrophobicContact CD1-CD2 3.73Å; L393-Y462 HydrophobicContact CD1-CE2 4.19Å; L393-Y462 HydrophobicContact CD1-CG 4.42Å; L393-L485 HydrophobicContact CD1-CD1 3.91Å; L393-L485 HydrophobicContact CD1-CD2 4.09Å; L393-L485 HydrophobicContact CD2-CD2 4.3Å
394F93.1Very high83.3Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-155.5149.9178.362.6-84.8000112.1F344 M353 A355 W367 F371 A380 A396 F426 L428 L436F344-F394 HydrophobicContact CE1-CB 3.95Å; F344-F394 HydrophobicContact CE1-CD1 4.32Å; F344-F394 HydrophobicContact CE1-CG 4.13Å; F344-F394 AromaticContact CE2-CD1 3.75Å; F344-F394 HydrophobicContact CE2-CD1 3.75Å; F344-F394 AromaticContact CE2-CE1 3.96Å; F344-F394 HydrophobicContact CE2-CE1 3.96Å; F344-F394 HydrophobicContact CE2-CG 4.3Å; F344-F394 HydrophobicContact CZ-CB 3.83Å; F344-F394 AromaticContact CZ-CD1 3.4Å; F344-F394 HydrophobicContact CZ-CD1 3.4Å; F344-F394 VanDerWaalsContact CZ-CD1 3.4Å; F344-F394 HydrophobicContact CZ-CD2 4.05Å; F344-F394 AromaticContact CZ-CE1 3.91Å; F344-F394 HydrophobicContact CZ-CE1 3.91Å; F344-F394 HydrophobicContact CZ-CE2 4.48Å; F344-F394 AromaticContact CZ-CG 3.48Å; F344-F394 HydrophobicContact CZ-CG 3.48Å; F344-F394 VanDerWaalsContact CZ-CG 3.48Å; F344-F394 HydrophobicContact CZ-CZ 4.42Å; M353-F394 HydrophobicContact CE-CD2 4.29Å; A355-F394 HydrophobicContact CB-CE2 4.23Å; A355-F394 HydrophobicContact CB-CZ 4.48Å; W367-F394 HydrophobicContact CH2-CZ 4.17Å; F371-F394 HydrophobicContact CE1-CE2 4.35Å; F371-F394 AromaticContact CE2-CE2 3.84Å; F371-F394 HydrophobicContact CE2-CE2 3.84Å; F371-F394 HydrophobicContact CE2-CZ 4.28Å; F371-F394 AromaticContact CZ-CE2 3.65Å; F371-F394 HydrophobicContact CZ-CE2 3.65Å; F371-F394 AromaticContact CZ-CZ 3.89Å; F371-F394 HydrophobicContact CZ-CZ 3.89Å; A380-F394 HydrophobicContact CB-CB 3.96Å; F394-A396 HydrophobicContact CD2-CB 4.16Å; F394-A396 HydrophobicContact CE2-CB 4.08Å; F394-F426 HydrophobicContact CE1-CB 4.21Å; F394-F426 HydrophobicContact CE2-CB 4.21Å; F394-F426 HydrophobicContact CE2-CD2 4.3Å; F394-F426 HydrophobicContact CZ-CB 3.99Å; F394-F426 PolarHBondContact N-O 3.1Å; F394-F426 PolarHBondContact O-N 2.87Å; F394-L428 HydrophobicContact CE1-CB 4.12Å; F394-L436 HydrophobicContact CE1-CD2 4.44Å; F394-L436 HydrophobicContact CZ-CD1 4.26Å; F394-L436 HydrophobicContact CZ-CD2 4.23Å
395W90.9Very high80.6Confident12 Ų1260.4 Ų60.45%0.04531%0.31CS..EExtended strand (participates in β ladder)trans-87.3130.8174.5-69.590.9000110.9M353 L378 R423 K424 L425 T442 Y462 T464M353-W395 WeakPolarHBondContact CE-O 3.5Å; L378-W395 HydrophobicContact CB-CB 4.45Å; L378-W395 HydrophobicContact CD1-CB 4.07Å; L378-W395 VanDerWaalsContact CD1-CD1 3.46Å; L378-W395 HydrophobicContact CD1-CD2 4.28Å; L378-W395 HydrophobicContact CD1-CG 3.67Å; W395-R423 HydrophobicContact CE3-CB 3.95Å; W395-R423 HydrophobicContact CZ3-CB 4.35Å; W395-K424 WeakPolarHBondContact CA-O 3.34Å; W395-K424 VanDerWaalsContact CE3-C 3.44Å; W395-L425 HydrophobicContact CD2-CB 4.18Å; W395-L425 HydrophobicContact CD2-CD1 4.34Å; W395-L425 HydrophobicContact CE3-CB 4.12Å; W395-L425 HydrophobicContact CG-CD1 4.46Å; W395-L425 HydrophobicContact CH2-CB 3.93Å; W395-L425 HydrophobicContact CZ2-CB 3.98Å; W395-L425 HydrophobicContact CZ2-CD1 4.47Å; W395-L425 HydrophobicContact CZ2-CD2 4.45Å; W395-L425 HydrophobicContact CZ3-CB 3.99Å; W395-T442 HydrophobicContact CH2-CG2 3.81Å; W395-T442 HydrophobicContact CZ3-CG2 3.67Å; W395-Y462 HydrophobicContact CZ2-CE1 4.33Å; W395-Y462 AromaticContact NE1-CE1 3.77Å; W395-Y462 AromaticContact NE1-CZ 3.88Å; W395-Y462 PolarHBondContact NE1-OH 2.83Å; W395-Y462 VanDerWaalsContact NE1-OH 3.09Å; W395-T464 HydrophobicContact CZ2-CG2 4.14Å
396A90.4Very high77.9Confident0 Ų066.4 Ų66.40%035%0.346CS..EExtended strand (participates in β ladder)trans-148.3174.7172.700000110.9M353 F371 F394 K424 F426M353-A396 HydrophobicContact CE-CB 3.79Å; M353-A396 HydrophobicContact SD-CB 4.38Å; F371-A396 HydrophobicContact CB-CB 4.07Å; F371-A396 HydrophobicContact CD1-CB 3.61Å; F371-A396 HydrophobicContact CD2-CB 4.16Å; F371-A396 HydrophobicContact CE1-CB 4.04Å; F371-A396 HydrophobicContact CG-CB 3.68Å; F371-A396 HydrophobicContact CZ-CB 4.49Å; F394-A396 HydrophobicContact CD2-CB 4.16Å; F394-A396 HydrophobicContact CE2-CB 4.08Å; A396-K424 PolarHBondContact N-O 3.02Å; A396-K424 PolarHBondContact O-N 3.07Å; A396-F426 HydrophobicContact CB-CD2 3.91Å; A396-F426 HydrophobicContact CB-CE2 3.9Å
397S89.6Confident75.2Confident5 Ų568.3 Ų68.34%0.03536%0.357CS..  trans-94.5-150.7170.2-38.40000109.9V372 P374 F426V372-S397 WeakPolarHBondContact O-CB 3.48Å; V372-S397 PolarHBondContact O-OG 3.29Å; P374-S397 VanDerWaalsContact CA-OG 3.22Å; P374-S397 WeakPolarHBondContact CA-OG 3.09Å; P374-S397 WeakPolarHBondContact CB-OG 3.37Å; S397-F426 WeakPolarHBondContact O-CE2 3.19Å
398E87.8Confident72.6Confident96 Ų9675.4 Ų75.445%0.44937%0.374SS..SBendtrans-65.1138.6174.6-60.8-61.917200112.4F371 V372 K424F371-E398 WeakPolarHBondContact CA-O 3.17Å; V372-E398 PolarHBondContact N-O 3.42Å; E398-K424 WeakPolarHBondContact OE1-CE 3.38Å; E398-K424 IonicContact OE1-NZ 3.36Å; E398-K424 PolarHBondContact OE1-NZ 3.31Å; E398-K424 IonicContact OE2-NZ 3.56Å; E398-K424 PolarHBondContact OE2-NZ 2.94Å
399P89.5Confident69.8Low20 Ų2081.6 Ų81.613%0.1340%0.396CS..BIsolated β-bridgetrans-65.1137.5172.10.87.8000110.7E370 F371 R401 V495 L497E370-P399 WeakPolarHBondContact O-CA 3.42Å; F371-P399 HydrophobicContact CD1-CB 4.01Å; F371-P399 HydrophobicContact CD1-CG 4.35Å; F371-P399 HydrophobicContact CE1-CB 3.98Å; F371-P399 HydrophobicContact CE1-CG 4.17Å; P399-R401 PolarHBondContact O-N 3.14Å; P399-V495 HydrophobicContact CG-CG1 3.56Å; P399-L497 HydrophobicContact CB-CD2 3.85Å; P399-L497 HydrophobicContact CG-CD2 4.35Å
400I87.8Confident66.9Low72 Ų7286 Ų8637%0.36943%0.426SS..  trans-81.4110.1173.9-61.5173.2000107.3I352 E370 F371 V372I352-I400 HydrophobicContact CB-CD1 4.32Å; I352-I400 HydrophobicContact CD1-CD1 4.24Å; I352-I400 HydrophobicContact CG1-CD1 3.8Å; I352-I400 HydrophobicContact CG2-CD1 3.93Å; E370-I400 HydrophobicContact CB-CB 4.38Å; E370-I400 PolarHBondContact O-N 2.86Å; F371-I400 WeakPolarHBondContact O-CD1 3.34Å; V372-I400 HydrophobicContact CG2-CG1 4.11Å
401R78.1Confident64Low171 Ų17193.6 Ų93.665%0.64546%0.463SS*.  trans-76.9129.7174.8-64.2-176.1-177.6176.32.5109.4P399 Q403P399-R401 PolarHBondContact O-N 3.14Å; R401-Q403 PolarHBondContact O-N 2.83Å
402A54.3Low60.9Low82 Ų8297.7 Ų97.768%0.67850%0.497SS*.SBendtrans-61.4111.3164.700000107.9
403Q37.2Very low57.8Low176 Ų176104.3 Ų104.382%0.82254%0.54SS*.  trans83.799.7-178.3-52.7-166.1-9.200118.6R401R401-Q403 PolarHBondContact O-N 2.83Å
404R33.7Very low55.2Low235 Ų235107.3 Ų107.389%0.88757%0.572SS**  -156.8136.8106-132.4176.5-173.6179.51.7108.9V406R404-V406 PolarHBondContact O-N 2.83Å
405N34.7Very low52.6Low167 Ų167114.5 Ų114.589%0.89362%0.615SS**  trans-47100.2173.5-66.3-29.4000110.4
406V35.9Very low49.9Very low126 Ų126118.3 Ų118.376%0.76465%0.649SS**  trans-75.9121.4163.5-176.40000105R404 R408R404-V406 PolarHBondContact O-N 2.83Å; V406-R408 PolarHBondContact O-N 3.02Å; V406-R408 VanDerWaalsContact O-N 3.15Å
407P30.5Very low47.3Very low109 Ų109122.7 Ų122.771%0.70869%0.685SS**  trans-55.8127.7170.9-13.826.3000106.5M409P407-M409 VanDerWaalsContact C-N 3.25Å; P407-M409 PolarHBondContact O-N 2.98Å
408R31.5Very low45.2Very low239 Ų239126.2 Ų126.290%0.90271%0.714SS**  trans-54.292.9176.1-151.6178.2-164.7167.32.8107.5V406 T410V406-R408 PolarHBondContact O-N 3.02Å; V406-R408 VanDerWaalsContact O-N 3.15Å; R408-T410 VanDerWaalsContact C-N 3.29Å; R408-T410 PolarHBondContact O-N 2.92Å
409M29.2Very low43.2Very low162 Ų162129.7 Ų129.780%0.79873%0.731SS**  trans-70.398173.3-124.5179.3-173.200104.8P407 M411P407-M409 VanDerWaalsContact C-N 3.25Å; P407-M409 PolarHBondContact O-N 2.98Å; M409-M411 VanDerWaalsContact C-N 3.26Å; M409-M411 PolarHBondContact O-N 2.96Å; M409-M411 HydrophobicContact SD-CE 4.48Å
410T32Very low41.6Very low133 Ų133133.3 Ų133.382%0.81675%0.754SS**  trans-58.895.7163.537.70000107.1R408 A412R408-T410 VanDerWaalsContact C-N 3.29Å; R408-T410 PolarHBondContact O-N 2.92Å; T410-A412 PolarHBondContact O-N 2.91Å
411M33.9Very low40.8Very low160 Ų160131.8 Ų131.879%0.78875%0.747SS**  trans-67116.7170.4-73.3-92.3165.700107.6M409M409-M411 VanDerWaalsContact C-N 3.26Å; M409-M411 PolarHBondContact O-N 2.96Å; M409-M411 HydrophobicContact SD-CE 4.48Å
412A28.1Very low41.1Very low86 Ų86128 Ų12871%0.71174%0.738SS**  trans-63.6142.2171.400000109.8T410 G414T410-A412 PolarHBondContact O-N 2.91Å; A412-G414 PolarHBondContact O-N 3.12Å
413P30.7Very low42.6Very low139 Ų139125.3 Ų125.390%0.90371%0.711SS**SBendtrans-75.4111.1177.928.6-29.7000109.6
414G39.9Very low45.2Very low64 Ų64118 Ų11866%0.6668%0.676SS**SBendtrans139.4113.9171.100000112.4A412A412-G414 PolarHBondContact O-N 3.12Å
415V38.2Very low48Very low150 Ų150107 Ų10791%0.90964%0.635SS**  trans75.566173.2-156.10000115
416A35.3Very low50.9Low93 Ų9399 Ų9977%0.76959%0.592SS**  trans-88.397.3154.500000108.1A418A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 3.29Å
417A36.5Very low53.8Low91 Ų9193 Ų9375%0.75256%0.556SS**  trans-61108.1150.300000105E419A417-E419 PolarHBondContact O-N 3.46Å
418A43.4Very low57Low79 Ų7987.9 Ų87.965%0.65352%0.522SS*.  trans-57.9111.1-176.500000108.6A416A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 3.29Å
419E46.7Very low60Low170 Ų17076.5 Ų76.579%0.79448%0.479SS*.  trans-52131.1168.4-77-176.8159.800108A417 L421A417-E419 PolarHBondContact O-N 3.46Å; E419-L421 PolarHBondContact O-N 2.81Å; E419-L421 VanDerWaalsContact O-N 3.09Å
420P56Low63.1Low95 Ų9569.4 Ų69.462%0.61745%0.445SS*.  trans-63118.4179.324.1-30.5000108I422 T443P420-I422 PolarHBondContact O-N 2.83Å; P420-T443 HydrophobicContact CB-CG2 4.21Å
421L70.7Confident66Low40 Ų4065.3 Ų65.321%0.20943%0.425CS..  trans-65.8113.8173.5-100.589.7000108.7V372 C373 E419 R423V372-L421 HydrophobicContact CG1-CD2 4.47Å; C373-L421 WeakPolarHBondContact O-CD2 3.27Å; E419-L421 PolarHBondContact O-N 2.81Å; E419-L421 VanDerWaalsContact O-N 3.09Å; L421-R423 PolarHBondContact O-N 2.92Å
422I83.6Confident68.9Low91 Ų9159.4 Ų59.447%0.46740%0.395SS..  trans-69.6119.6170.5-59.1173.2000107.4P420 K424 T443P420-I422 PolarHBondContact O-N 2.83Å; I422-K424 HydrophobicContact CG2-CG 4.38Å; I422-T443 HydrophobicContact CG1-CG2 4.39Å
423R87.6Confident71.9Confident27 Ų2758.1 Ų58.110%0.10238%0.38CS..EExtended strand (participates in β ladder)trans-96.4141.5174.1-58.2178.8-176.1109.2-1.9108.5P374 W395 L421 S441 T442 D444P374-R423 HydrophobicContact CB-CG 4.22Å; P374-R423 PolarHBondContact O-NE 3.05Å; W395-R423 HydrophobicContact CE3-CB 3.95Å; W395-R423 HydrophobicContact CZ3-CB 4.35Å; L421-R423 PolarHBondContact O-N 2.92Å; R423-S441 CarbonylContact O-C 3.6Å; R423-S441 WeakPolarHBondContact O-CA 3.4Å; R423-T442 PolarHBondContact N-O 2.83Å; R423-T442 PolarHBondContact O-N 2.89Å; R423-D444 PolarHBondContact NH1-O 3.43Å
424K91.1Very high74.8Confident21 Ų2154.1 Ų54.19%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-127.4133.6-175.5-65.5174172.3-163.60109.5W395 A396 E398 I422 F426 Q438 S440W395-K424 WeakPolarHBondContact CA-O 3.34Å; W395-K424 VanDerWaalsContact CE3-C 3.44Å; A396-K424 PolarHBondContact N-O 3.02Å; A396-K424 PolarHBondContact O-N 3.07Å; E398-K424 WeakPolarHBondContact OE1-CE 3.38Å; E398-K424 IonicContact OE1-NZ 3.36Å; E398-K424 PolarHBondContact OE1-NZ 3.31Å; E398-K424 IonicContact OE2-NZ 3.56Å; E398-K424 PolarHBondContact OE2-NZ 2.94Å; I422-K424 HydrophobicContact CG2-CG 4.38Å; K424-F426 HydrophobicContact CB-CD2 4.27Å; K424-F426 HydrophobicContact CB-CE1 4.47Å; K424-F426 HydrophobicContact CB-CE2 3.62Å; K424-F426 HydrophobicContact CB-CZ 3.75Å; K424-F426 HydrophobicContact CD-CE2 4.35Å; K424-F426 HydrophobicContact CD-CZ 3.77Å; K424-F426 HydrophobicContact CG-CZ 4.45Å; K424-Q438 HydrophobicContact CB-CG 4.25Å; K424-Q438 HydrophobicContact CD-CG 4.36Å; K424-Q438 HydrophobicContact CG-CG 4.43Å; K424-Q438 VanDerWaalsContact NZ-OE1 3.09Å; K424-S440 WeakPolarHBondContact CA-O 3.29Å
425L93.4Very high77.3Confident5 Ų551.2 Ų51.23%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-84.6117.2171.218061.9000108.5L393 W395 L439 S440 Y462L393-L425 HydrophobicContact CB-CD1 4.35Å; L393-L425 HydrophobicContact CD2-CD1 4.27Å; L393-L425 HydrophobicContact CD2-CG 4.34Å; W395-L425 HydrophobicContact CD2-CB 4.18Å; W395-L425 HydrophobicContact CD2-CD1 4.34Å; W395-L425 HydrophobicContact CE3-CB 4.12Å; W395-L425 HydrophobicContact CG-CD1 4.46Å; W395-L425 HydrophobicContact CH2-CB 3.93Å; W395-L425 HydrophobicContact CZ2-CB 3.98Å; W395-L425 HydrophobicContact CZ2-CD1 4.47Å; W395-L425 HydrophobicContact CZ2-CD2 4.45Å; W395-L425 HydrophobicContact CZ3-CB 3.99Å; L425-L439 HydrophobicContact CD2-CB 4.25Å; L425-L439 HydrophobicContact CD2-CD1 4.21Å; L425-L439 HydrophobicContact CG-CB 4.35Å; L425-L439 HydrophobicContact CG-CD1 4.42Å; L425-L439 PolarHBondContact O-N 3.2Å; L425-S440 WeakPolarHBondContact CB-OG 3.39Å; L425-S440 PolarHBondContact N-O 2.76Å; L425-Y462 HydrophobicContact CD1-CD1 4.48Å; L425-Y462 HydrophobicContact CD1-CE1 3.8Å; L425-Y462 HydrophobicContact CD2-CD1 3.49Å; L425-Y462 VanDerWaalsContact CD2-CD1 3.49Å; L425-Y462 HydrophobicContact CD2-CE1 3.57Å; L425-Y462 HydrophobicContact CD2-CG 4.24Å; L425-Y462 HydrophobicContact CG-CE1 4.34Å
426F94.9Very high80Confident0 Ų044 Ų440%029%0.285CS..EExtended strand (participates in β ladder)trans-104.7143.6176.2-67-74.6000111.1F371 L393 F394 A396 S397 K424 L436 L437 Q438 V495F371-F426 HydrophobicContact CD1-CE2 4.38Å; F371-F426 HydrophobicContact CE1-CD2 4.3Å; F371-F426 HydrophobicContact CE1-CE2 4.09Å; L393-F426 VanDerWaalsContact CA-O 3.31Å; L393-F426 WeakPolarHBondContact CA-O 3.46Å; F394-F426 HydrophobicContact CE1-CB 4.21Å; F394-F426 HydrophobicContact CE2-CB 4.21Å; F394-F426 HydrophobicContact CE2-CD2 4.3Å; F394-F426 HydrophobicContact CZ-CB 3.99Å; F394-F426 PolarHBondContact N-O 3.1Å; F394-F426 PolarHBondContact O-N 2.87Å; A396-F426 HydrophobicContact CB-CD2 3.91Å; A396-F426 HydrophobicContact CB-CE2 3.9Å; S397-F426 WeakPolarHBondContact O-CE2 3.19Å; K424-F426 HydrophobicContact CB-CD2 4.27Å; K424-F426 HydrophobicContact CB-CE1 4.47Å; K424-F426 HydrophobicContact CB-CE2 3.62Å; K424-F426 HydrophobicContact CB-CZ 3.75Å; K424-F426 HydrophobicContact CD-CE2 4.35Å; K424-F426 HydrophobicContact CD-CZ 3.77Å; K424-F426 HydrophobicContact CG-CZ 4.45Å; F426-L436 HydrophobicContact CB-CD1 4.43Å; F426-L436 HydrophobicContact CD1-CB 3.86Å; F426-L436 HydrophobicContact CD1-CD1 4.09Å; F426-L436 HydrophobicContact CG-CB 4.49Å; F426-L436 HydrophobicContact CG-CD1 4.19Å; F426-L437 CarbonylContact C-O 3.59Å; F426-L437 WeakPolarHBondContact CA-O 3.4Å; F426-Q438 HydrophobicContact CD1-CB 4.13Å; F426-Q438 HydrophobicContact CE1-CB 3.94Å; F426-Q438 HydrophobicContact CE1-CG 4.31Å; F426-V495 HydrophobicContact CE1-CB 4.3Å; F426-V495 HydrophobicContact CE1-CG2 4.06Å
427L96.7Very high82.9Confident0 Ų039.6 Ų39.60%025%0.248CC..EExtended strand (participates in β ladder)trans-111.7121.9167.5-175.7159.3000108.9V391 F392 L393 L437 L439 I489 F518 L521V391-L427 HydrophobicContact CB-CD1 4.5Å; V391-L427 HydrophobicContact CB-CD2 4.11Å; V391-L427 HydrophobicContact CB-CG 4.12Å; V391-L427 HydrophobicContact CG1-CD2 3.88Å; V391-L427 HydrophobicContact CG1-CG 4.37Å; V391-L427 HydrophobicContact CG2-CD1 4.41Å; V391-L427 HydrophobicContact CG2-CG 4.48Å; F392-L427 WeakPolarHBondContact O-CA 3.4Å; L393-L427 HydrophobicContact CD2-CB 3.83Å; L393-L427 HydrophobicContact CD2-CD1 4.14Å; L393-L427 HydrophobicContact CD2-CG 4.13Å; L427-L437 HydrophobicContact CB-CB 4.34Å; L427-L437 PolarHBondContact N-O 2.78Å; L427-L437 PolarHBondContact O-N 2.89Å; L427-L439 HydrophobicContact CB-CD1 3.96Å; L427-L439 HydrophobicContact CB-CD2 4.48Å; L427-L439 HydrophobicContact CB-CG 4.15Å; L427-L439 HydrophobicContact CD1-CD1 4.11Å; L427-I489 HydrophobicContact CD1-CD1 4.04Å; L427-I489 HydrophobicContact CD1-CG1 4.26Å; L427-F518 HydrophobicContact CD2-CD1 3.84Å; L427-F518 HydrophobicContact CD2-CE1 3.44Å; L427-F518 VanDerWaalsContact CD2-CE1 3.44Å; L427-L521 HydrophobicContact CD2-CD1 4.37Å
428L96.8Very high85.7Confident0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-104132.1172.8171.765.6000109.5F335 I357 W367 V391 F392 F394 L436F335-L428 HydrophobicContact CE2-CD2 4.24Å; I357-L428 HydrophobicContact CD1-CD2 3.54Å; W367-L428 HydrophobicContact CD2-CD2 3.8Å; W367-L428 HydrophobicContact CE3-CD2 3.88Å; W367-L428 HydrophobicContact CG-CD2 4.44Å; W367-L428 HydrophobicContact CH2-CD2 3.94Å; W367-L428 HydrophobicContact CZ2-CD1 4.13Å; W367-L428 HydrophobicContact CZ2-CD2 3.86Å; W367-L428 HydrophobicContact CZ3-CD2 3.95Å; V391-L428 CarbonylContact C-O 3.56Å; V391-L428 VanDerWaalsContact CA-O 3.26Å; V391-L428 WeakPolarHBondContact CA-O 3.42Å; V391-L428 WeakPolarHBondContact CB-O 3.18Å; F392-L428 HydrophobicContact CB-CB 4.37Å; F392-L428 PolarHBondContact N-O 3.11Å; F392-L428 PolarHBondContact O-N 2.95Å; F394-L428 HydrophobicContact CE1-CB 4.12Å; L428-L436 HydrophobicContact CB-CD2 3.76Å; L428-L436 HydrophobicContact CD1-CD2 3.8Å; L428-L436 HydrophobicContact CG-CD2 4.31Å
429H95.7Very high88.1Confident0 Ų033.6 Ų33.60%019%0.192CC..  trans-121.2133.6170.4-172.5-71.5000110.3Q389 V391 A431 H432 F517 F518Q389-H429 PolarHBondContact OE1-CE1 2.87Å; V391-H429 HydrophobicContact CG1-CB 4.09Å; V391-H429 VanDerWaalsContact CG1-CD2 3.47Å; V391-H429 WeakPolarHBondContact CG1-CD2 3.08Å; H429-A431 VanDerWaalsContact C-N 3.29Å; H429-A431 VanDerWaalsContact ND1-CB 3.32Å; H429-A431 WeakPolarHBondContact ND1-CB 3.38Å; H429-A431 PolarHBondContact ND1-N 3.42Å; H429-A431 PolarHBondContact O-N 3.4Å; H429-H432 CarbonylContact O-C 3.51Å; H429-H432 PolarHBondContact O-N 2.7Å; H429-F517 HydrophobicContact CB-CE1 4.12Å; H429-F517 AromaticContact CD2-CE1 3.88Å; H429-F517 AromaticContact CD2-CZ 3.93Å; H429-F517 AromaticContact CE1-CE1 3.95Å; H429-F517 AromaticContact CE1-CZ 3.39Å; H429-F517 WeakPolarHBondContact CE1-CZ 3.49Å; H429-F517 AromaticContact CG-CE1 3.58Å; H429-F517 AromaticContact CG-CZ 3.85Å; H429-F517 AromaticContact ND1-CE1 3.58Å; H429-F517 AromaticContact ND1-CZ 3.46Å; H429-F517 WeakPolarHBondContact ND1-CZ 3.21Å; H429-F517 AromaticContact NE2-CZ 3.64Å; H429-F518 HydrophobicContact CB-CE1 3.72Å; H429-F518 HydrophobicContact CB-CZ 4.26Å
430P94.7Very high90.2Very high13 Ų1327.3 Ų27.38%0.08417%0.166CC..THydrogen-bonded Turntrans-59.8-31-174.6-23.330.9000115.7F335 Q389 S390 H432 P433F335-P430 HydrophobicContact CB-CG 4.44Å; F335-P430 HydrophobicContact CD1-CB 4.47Å; F335-P430 HydrophobicContact CD2-CB 3.85Å; F335-P430 HydrophobicContact CD2-CG 3.55Å; F335-P430 HydrophobicContact CE1-CB 4.49Å; F335-P430 HydrophobicContact CE2-CB 3.88Å; F335-P430 HydrophobicContact CE2-CG 3.97Å; F335-P430 HydrophobicContact CG-CB 4.18Å; F335-P430 HydrophobicContact CG-CG 4.04Å; F335-P430 HydrophobicContact CZ-CB 4.21Å; F335-P430 WeakPolarHBondContact O-CB 3.41Å; F335-P430 WeakPolarHBondContact O-CG 3.32Å; Q389-P430 HydrophobicContact CB-CG 4.21Å; Q389-P430 HydrophobicContact CG-CG 4.5Å; S390-P430 VanDerWaalsContact O-CD 3.28Å; S390-P430 WeakPolarHBondContact O-CD 3.15Å; P430-H432 PolarHBondContact O-N 3.03Å; P430-P433 WeakPolarHBondContact O-CD 3.42Å
431A92.9Very high91.8Very high47 Ų4726.2 Ų26.239%0.38816%0.161SC..THydrogen-bonded Turntrans-61.2-21.4174.400000114.7H429 F517H429-A431 VanDerWaalsContact C-N 3.29Å; H429-A431 VanDerWaalsContact ND1-CB 3.32Å; H429-A431 WeakPolarHBondContact ND1-CB 3.38Å; H429-A431 PolarHBondContact ND1-N 3.42Å; H429-A431 PolarHBondContact O-N 3.4Å; A431-F517 HydrophobicContact CB-CE1 4.34Å; A431-F517 HydrophobicContact CB-CE2 4.06Å; A431-F517 HydrophobicContact CB-CZ 3.78Å
432H93.3Very high92.5Very high36 Ų3625.8 Ų25.817%0.16716%0.16CC..SBendtrans-134.168.3177.3-64.3-60.1000110.5H429 P430 A434 A435 F517H429-H432 CarbonylContact O-C 3.51Å; H429-H432 PolarHBondContact O-N 2.7Å; P430-H432 PolarHBondContact O-N 3.03Å; H432-A434 PolarHBondContact O-N 3.04Å; H432-A434 VanDerWaalsContact O-N 3.16Å; H432-A435 HydrophobicContact CB-CB 4.31Å; H432-A435 PolarHBondContact O-N 3.43Å; H432-F517 AromaticContact CD2-CD1 3.32Å; H432-F517 WeakPolarHBondContact CD2-CD1 3.13Å; H432-F517 AromaticContact CD2-CE1 3.88Å; H432-F517 AromaticContact CD2-CG 3.59Å; H432-F517 WeakPolarHBondContact NE2-CB 3.41Å; H432-F517 AromaticContact NE2-CD1 3.61Å; H432-F517 AromaticContact NE2-CD2 3.83Å; H432-F517 AromaticContact NE2-CG 3.31Å; H432-F517 VanDerWaalsContact NE2-CG 3.31Å; H432-F517 WeakPolarHBondContact NE2-CG 3.36Å
433P92.3Very high92.5Very high60 Ų6025.4 Ų25.439%0.3916%0.162SC..THydrogen-bonded Turntrans-69.2-17.9-170.429.1-33000113.4F335 W367 P430F335-P433 HydrophobicContact CZ-CB 4.42Å; W367-P433 PolarHBondContact NE1-O 3.21Å; P430-P433 WeakPolarHBondContact O-CD 3.42Å
434A91.4Very high92.2Very high54 Ų5424.8 Ų24.845%0.44616%0.161SC..THydrogen-bonded Turntrans-87-6.9175.500000113.6H432 Q496 L497H432-A434 PolarHBondContact O-N 3.04Å; H432-A434 VanDerWaalsContact O-N 3.16Å; A434-Q496 PolarHBondContact O-OE1 3.48Å; A434-L497 WeakPolarHBondContact O-CB 3.45Å; A434-L497 PolarHBondContact O-N 2.95Å
435A92.5Very high91.7Very high3 Ų325.7 Ų25.73%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-124.4124.7-176.800000111.2H432 I494 V514H432-A435 HydrophobicContact CB-CB 4.31Å; H432-A435 PolarHBondContact O-N 3.43Å; A435-I494 HydrophobicContact CB-CG2 4.22Å; A435-V514 HydrophobicContact CB-CG1 3.97Å
436L94.9Very high90.8Very high0 Ų025.4 Ų25.40%017%0.167CC..EExtended strand (participates in β ladder)trans-99.4147.9170.1-61.3176.3000109.9W367 F371 F394 F426 L428 I494 V495 L497W367-L436 HydrophobicContact CZ2-CD2 4.29Å; F371-L436 HydrophobicContact CE1-CD1 3.83Å; F371-L436 HydrophobicContact CZ-CD1 3.64Å; F394-L436 HydrophobicContact CE1-CD2 4.44Å; F394-L436 HydrophobicContact CZ-CD1 4.26Å; F394-L436 HydrophobicContact CZ-CD2 4.23Å; F426-L436 HydrophobicContact CB-CD1 4.43Å; F426-L436 HydrophobicContact CD1-CB 3.86Å; F426-L436 HydrophobicContact CD1-CD1 4.09Å; F426-L436 HydrophobicContact CG-CB 4.49Å; F426-L436 HydrophobicContact CG-CD1 4.19Å; L428-L436 HydrophobicContact CB-CD2 3.76Å; L428-L436 HydrophobicContact CD1-CD2 3.8Å; L428-L436 HydrophobicContact CG-CD2 4.31Å; L436-I494 CarbonylContact O-C 3.56Å; L436-I494 WeakPolarHBondContact O-CA 3.26Å; L436-V495 HydrophobicContact CB-CB 4.47Å; L436-V495 PolarHBondContact N-O 3.05Å; L436-V495 PolarHBondContact O-N 2.88Å; L436-L497 HydrophobicContact CD1-CD1 4.09Å; L436-L497 HydrophobicContact CD1-CD2 3.79Å; L436-L497 HydrophobicContact CD1-CG 4.15Å; L436-L497 HydrophobicContact CD2-CD1 4.35Å; L436-L497 HydrophobicContact CG-CD1 3.92Å; L436-L497 HydrophobicContact CG-CD2 4.33Å; L436-L497 HydrophobicContact CG-CG 4.14Å
437L95.5Very high90.2Very high0 Ų026.2 Ų26.20%017%0.171CC..EExtended strand (participates in β ladder)trans-104.6112.2169.5-173.469.4000109.3F426 L427 L439 I489 I494 F518F426-L437 CarbonylContact C-O 3.59Å; F426-L437 WeakPolarHBondContact CA-O 3.4Å; L427-L437 HydrophobicContact CB-CB 4.34Å; L427-L437 PolarHBondContact N-O 2.78Å; L427-L437 PolarHBondContact O-N 2.89Å; L437-L439 HydrophobicContact CD2-CD2 3.73Å; L437-L439 HydrophobicContact CG-CD2 3.94Å; L437-L439 PolarHBondContact O-N 3.23Å; L437-I489 HydrophobicContact CD2-CB 4.1Å; L437-I489 HydrophobicContact CD2-CG1 3.74Å; L437-I489 HydrophobicContact CD2-CG2 3.96Å; L437-I494 HydrophobicContact CD1-CG1 4.08Å; L437-F518 HydrophobicContact CB-CD1 4.38Å; L437-F518 HydrophobicContact CB-CD2 4.45Å; L437-F518 HydrophobicContact CB-CE1 4.27Å; L437-F518 HydrophobicContact CB-CE2 4.32Å; L437-F518 HydrophobicContact CB-CG 4.5Å; L437-F518 HydrophobicContact CB-CZ 4.25Å; L437-F518 HydrophobicContact CD2-CB 4.01Å; L437-F518 HydrophobicContact CD2-CD1 4.02Å; L437-F518 HydrophobicContact CD2-CD2 4.49Å; L437-F518 HydrophobicContact CD2-CG 3.94Å
438Q94.8Very high89.8Confident25 Ų2526.7 Ų26.712%0.11717%0.174CC..EExtended strand (participates in β ladder)trans-75.2117.2171.7-177.3-173.6-4400108.9K424 F426 G492 Q493 V495K424-Q438 HydrophobicContact CB-CG 4.25Å; K424-Q438 HydrophobicContact CD-CG 4.36Å; K424-Q438 HydrophobicContact CG-CG 4.43Å; K424-Q438 VanDerWaalsContact NZ-OE1 3.09Å; F426-Q438 HydrophobicContact CD1-CB 4.13Å; F426-Q438 HydrophobicContact CE1-CB 3.94Å; F426-Q438 HydrophobicContact CE1-CG 4.31Å; Q438-G492 CarbonylContact O-C 3.3Å; Q438-G492 WeakPolarHBondContact O-CA 3.25Å; Q438-Q493 HydrophobicContact CB-CB 4.46Å; Q438-Q493 WeakPolarHBondContact CB-O 3.33Å; Q438-Q493 PolarHBondContact N-O 3.31Å; Q438-Q493 PolarHBondContact O-N 2.95Å; Q438-V495 HydrophobicContact CB-CG2 4.12Å
439L94.1Very high89.4Confident19 Ų1926.9 Ų26.910%0.09918%0.175CC..EExtended strand (participates in β ladder)trans-94.1-42.6-176.8-63.2-175.7000112.8L393 L425 L427 L437 L485 A488 I489L393-L439 HydrophobicContact CD2-CD1 3.56Å; L425-L439 HydrophobicContact CD2-CB 4.25Å; L425-L439 HydrophobicContact CD2-CD1 4.21Å; L425-L439 HydrophobicContact CG-CB 4.35Å; L425-L439 HydrophobicContact CG-CD1 4.42Å; L425-L439 PolarHBondContact O-N 3.2Å; L427-L439 HydrophobicContact CB-CD1 3.96Å; L427-L439 HydrophobicContact CB-CD2 4.48Å; L427-L439 HydrophobicContact CB-CG 4.15Å; L427-L439 HydrophobicContact CD1-CD1 4.11Å; L437-L439 HydrophobicContact CD2-CD2 3.73Å; L437-L439 HydrophobicContact CG-CD2 3.94Å; L437-L439 PolarHBondContact O-N 3.23Å; L439-L485 HydrophobicContact CD1-CD2 3.84Å; L439-A488 HydrophobicContact CB-CB 4.25Å; L439-A488 HydrophobicContact CD2-CB 4.13Å; L439-I489 HydrophobicContact CD2-CG1 3.95Å
440S90.9Very high89.1Confident38 Ų3826.9 Ų26.927%0.26618%0.175SC..EExtended strand (participates in β ladder)trans-150166.1-178.367.40000111K424 L425K424-S440 WeakPolarHBondContact CA-O 3.29Å; L425-S440 WeakPolarHBondContact CB-OG 3.39Å; L425-S440 PolarHBondContact N-O 2.76Å
441S89.3Confident88.8Confident72 Ų7226.2 Ų26.250%0.50317%0.171SC..EExtended strand (participates in β ladder)trans-141.5140.4173.259.90000110.6R423R423-S441 CarbonylContact O-C 3.6Å; R423-S441 WeakPolarHBondContact O-CA 3.4Å
442T85.8Confident88.6Confident30 Ų3024 Ų2418%0.18415%0.153CC..EExtended strand (participates in β ladder)trans-144.9152.6179.1-169.20000111.6W395 R423 D444W395-T442 HydrophobicContact CH2-CG2 3.81Å; W395-T442 HydrophobicContact CZ3-CG2 3.67Å; R423-T442 PolarHBondContact N-O 2.83Å; R423-T442 PolarHBondContact O-N 2.89Å; T442-D444 HydrophobicContact CG2-CB 4.48Å; T442-D444 VanDerWaalsContact OG1-CB 3.31Å; T442-D444 WeakPolarHBondContact OG1-CB 3.45Å; T442-D444 PolarHBondContact OG1-N 2.78Å
443T83.1Confident88.1Confident83 Ų8322.9 Ų22.951%0.50915%0.147SC..SBendtrans-97.6-10.2164.753.40000111.9P420 I422P420-T443 HydrophobicContact CB-CG2 4.21Å; I422-T443 HydrophobicContact CG1-CG2 4.39Å
444D82.3Confident87.7Confident15 Ų1520.7 Ų20.78%0.0813%0.132CC..SBendtrans-62153.7176.8-64.6-16.5000109.9R423 T442 A446 R468R423-D444 PolarHBondContact NH1-O 3.43Å; T442-D444 HydrophobicContact CG2-CB 4.48Å; T442-D444 VanDerWaalsContact OG1-CB 3.31Å; T442-D444 WeakPolarHBondContact OG1-CB 3.45Å; T442-D444 PolarHBondContact OG1-N 2.78Å; D444-A446 PolarHBondContact O-N 2.95Å; D444-R468 IonicContact OD1-NE 3.3Å; D444-R468 IonicContact OD2-CZ 2.61Å; D444-R468 IonicContact OD2-NE 2.67Å; D444-R468 PolarHBondContact OD2-NE 2.82Å; D444-R468 IonicContact OD2-NH2 2.87Å; D444-R468 PolarHBondContact OD2-NH2 2.92Å; D444-R468 VanDerWaalsContact OD2-NH2 3.11Å
445T80.4Confident87.1Confident39 Ų3925.1 Ų25.124%0.23914%0.144CC..EExtended strand (participates in β ladder)trans-88.890.1174.4-56.40000107.8V34 L376 V447 S466 S467V34-T445 HydrophobicContact CG1-CG2 4.09Å; L376-T445 HydrophobicContact CD1-CG2 4.05Å; L376-T445 HydrophobicContact CD2-CG2 4.38Å; T445-V447 VanDerWaalsContact O-CG2 3.24Å; T445-V447 WeakPolarHBondContact O-CG2 3.45Å; T445-S466 CarbonylContact O-C 3.59Å; T445-S466 WeakPolarHBondContact O-CA 3.47Å; T445-S467 PolarHBondContact N-O 2.9Å; T445-S467 VanDerWaalsContact N-O 3.1Å; T445-S467 PolarHBondContact O-N 3.21Å
446A75.6Confident86.5Confident0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-59.3138.5170.100000109.4L376 L378 D444 T464 V465L376-A446 WeakPolarHBondContact CD2-O 3.46Å; L378-A446 HydrophobicContact CD1-CB 3.34Å; L378-A446 HydrophobicContact CD2-CB 4.38Å; L378-A446 HydrophobicContact CG-CB 4.44Å; D444-A446 PolarHBondContact O-N 2.95Å; A446-T464 HydrophobicContact CB-CG2 3.74Å; A446-V465 CarbonylContact C-O 3.47Å
447V81.7Confident85.9Confident16 Ų1634.9 Ų34.910%0.09718%0.182CC..EExtended strand (participates in β ladder)trans-117.6-35.2-169.9-159.60000110.6V34 T35 P36 L378 T445 V465V34-V447 VanDerWaalsContact O-CG1 3.31Å; V34-V447 WeakPolarHBondContact O-CG1 3.24Å; T35-V447 VanDerWaalsContact C-CG1 3.42Å; T35-V447 WeakPolarHBondContact O-CG1 3.28Å; P36-V447 VanDerWaalsContact CA-CG1 3.43Å; P36-V447 HydrophobicContact CB-CG1 4.23Å; P36-V447 HydrophobicContact CG-CG1 4.08Å; L378-V447 VanDerWaalsContact CD2-C 3.46Å; T445-V447 VanDerWaalsContact O-CG2 3.24Å; T445-V447 WeakPolarHBondContact O-CG2 3.45Å; V447-V465 PolarHBondContact N-O 2.92Å
448T86.9Confident85.6Confident10 Ų1040.8 Ų40.86%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-156.3164.5173.8-174.50000110.7P37 L39 N281 V465P37-T448 HydrophobicContact CG-CG2 4.13Å; L39-T448 HydrophobicContact CD2-CG2 3.91Å; N281-T448 PolarHBondContact ND2-OG1 3.07Å; T448-V465 HydrophobicContact CG2-CB 3.78Å; T448-V465 HydrophobicContact CG2-CG2 3.81Å; T448-V465 PolarHBondContact N-O 3.46Å; T448-V465 PolarHBondContact O-N 2.87Å
449S89.5Confident85.4Confident4 Ų439.7 Ų39.73%0.02820%0.203CC..EExtended strand (participates in β ladder)trans-142.4158174.158.10000112.2N281 Y462 I463N281-S449 PolarHBondContact ND2-O 3.29Å; S449-Y462 VanDerWaalsContact CB-CZ 3.49Å; S449-Y462 WeakPolarHBondContact CB-OH 3.35Å; S449-Y462 PolarHBondContact OG-OH 2.97Å; S449-I463 CarbonylContact C-O 3.58Å; S449-I463 WeakPolarHBondContact CA-O 3.49Å; S449-I463 VanDerWaalsContact CB-O 3.32Å; S449-I463 WeakPolarHBondContact CB-O 3.39Å
450A89.3Confident85.2Confident0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-143.4163.7172.100000110.7L39 L41 N280 N281 I463L39-A450 HydrophobicContact CD2-CB 3.75Å; L39-A450 HydrophobicContact CG-CB 4.43Å; L41-A450 HydrophobicContact CD1-CB 3.5Å; L41-A450 VanDerWaalsContact CD1-CB 3.5Å; L41-A450 HydrophobicContact CD2-CB 4.26Å; L41-A450 HydrophobicContact CG-CB 3.91Å; N280-A450 WeakPolarHBondContact O-CB 2.99Å; N281-A450 HydrophobicContact CB-CB 4.03Å; A450-I463 PolarHBondContact N-O 3.07Å; A450-I463 PolarHBondContact O-N 3.23Å
451V89.2Confident85.2Confident0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-121.8127.5176.6178.10000109.2L41 I383 Y453 A460 T461 Y462L41-V451 VanDerWaalsContact CD1-O 3.28Å; L41-V451 WeakPolarHBondContact CD1-O 3.15Å; I383-V451 HydrophobicContact CD1-CB 4.25Å; I383-V451 HydrophobicContact CD1-CG1 3.42Å; I383-V451 VanDerWaalsContact CD1-CG1 3.42Å; I383-V451 HydrophobicContact CD1-CG2 3.76Å; I383-V451 HydrophobicContact CG1-CB 4.46Å; I383-V451 HydrophobicContact CG1-CG1 3.8Å; I383-V451 HydrophobicContact CG1-CG2 4.02Å; V451-Y453 HydrophobicContact CG1-CD2 4.49Å; V451-Y453 HydrophobicContact CG1-CE2 4.04Å; V451-A460 HydrophobicContact CG1-CB 4.29Å; V451-T461 WeakPolarHBondContact CA-O 3.27Å; V451-Y462 HydrophobicContact CG2-CD2 3.98Å; V451-Y462 HydrophobicContact CG2-CE2 4.42Å
452S86.8Confident85.3Confident0 Ų033.7 Ų33.70%016%0.162CC..EExtended strand (participates in β ladder)trans-110.4151.7166.3-179.60000111.1E50 A460 T461E50-S452 VanDerWaalsContact CB-OG 3.31Å; E50-S452 WeakPolarHBondContact CB-OG 3.31Å; E50-S452 PolarHBondContact N-OG 3.28Å; E50-S452 WeakPolarHBondContact OE2-CA 3.44Å; E50-S452 PolarHBondContact OE2-OG 3.28Å; S452-A460 CarbonylContact O-C 3.46Å; S452-A460 VanDerWaalsContact O-CA 3.25Å; S452-A460 WeakPolarHBondContact O-CA 3.16Å; S452-A460 WeakPolarHBondContact O-CB 3.49Å; S452-T461 WeakPolarHBondContact CB-OG1 3.24Å; S452-T461 PolarHBondContact N-O 3.16Å; S452-T461 PolarHBondContact O-N 2.86Å
453Y84Confident85.6Confident13 Ų1332.2 Ų32.25%0.05115%0.153CC..EExtended strand (participates in β ladder)trans-110.6138.8-179.4-65.8-93.6000111.2I383 V451 A460 K524I383-Y453 WeakPolarHBondContact CA-OH 3.45Å; I383-Y453 HydrophobicContact CG2-CD1 4.39Å; I383-Y453 HydrophobicContact CG2-CE1 3.4Å; V451-Y453 HydrophobicContact CG1-CD2 4.49Å; V451-Y453 HydrophobicContact CG1-CE2 4.04Å; Y453-A460 HydrophobicContact CD1-CB 4.2Å; Y453-K524 VanDerWaalsContact CD1-O 3.3Å; Y453-K524 WeakPolarHBondContact CD1-O 3.18Å; Y453-K524 WeakPolarHBondContact CE1-O 3.16Å
454L82.9Confident86Confident14 Ų1428.7 Ų28.77%0.07313%0.131CC..EExtended strand (participates in β ladder)trans-11988.8175.3-169.662.6000109.7L22 V49 Y456 L457 K458 D459L22-L454 HydrophobicContact CD1-CD2 3.52Å; L22-L454 HydrophobicContact CD2-CD2 4.23Å; L22-L454 HydrophobicContact CG-CD2 4.5Å; V49-L454 HydrophobicContact CB-CD1 4.2Å; V49-L454 HydrophobicContact CG1-CD1 4.2Å; V49-L454 HydrophobicContact CG2-CD1 3.28Å; L454-Y456 VanDerWaalsContact C-N 3.34Å; L454-Y456 PolarHBondContact O-N 3.15Å; L454-L457 HydrophobicContact CD2-CB 3.93Å; L454-L457 HydrophobicContact CD2-CD1 3.56Å; L454-L457 HydrophobicContact CD2-CG 3.66Å; L454-L457 HydrophobicContact CG-CB 4.13Å; L454-L457 HydrophobicContact CG-CG 4.18Å; L454-L457 PolarHBondContact O-N 3.41Å; L454-K458 PolarHBondContact O-N 3.44Å; L454-D459 PolarHBondContact N-O 2.95Å; L454-D459 PolarHBondContact O-N 2.91Å; L454-D459 VanDerWaalsContact O-N 3.16Å
455E79.4Confident86.5Confident146 Ų14628 Ų2868%0.68213%0.128SC*.G310 helixtrans-58-44.2-170.5-174.6171.9-172.200112.4L457 K458E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 2.96Å; E455-K458 PolarHBondContact O-N 2.93Å
456Y79.9Confident86.9Confident198 Ų19826.4 Ų26.478%0.77612%0.118SC*.G310 helixtrans-58.3-39.4-179.9178.4-102000112.9L454 K458L454-Y456 VanDerWaalsContact C-N 3.34Å; L454-Y456 PolarHBondContact O-N 3.15Å; Y456-K458 VanDerWaalsContact C-N 3.34Å
457L82.4Confident87.4Confident11 Ų1127 Ų276%0.05812%0.123CC..G310 helixtrans-85.9-8176.9-68.1-162.6000113.4K15 L18 L22 L454 E455 D459 K486K15-L457 HydrophobicContact CG-CD2 4.14Å; L18-L457 HydrophobicContact CB-CD1 4.25Å; L18-L457 HydrophobicContact CD2-CD1 3.73Å; L18-L457 HydrophobicContact CD2-CD2 4.35Å; L18-L457 HydrophobicContact CD2-CG 4.14Å; L22-L457 HydrophobicContact CD1-CD1 4Å; L454-L457 HydrophobicContact CD2-CB 3.93Å; L454-L457 HydrophobicContact CD2-CD1 3.56Å; L454-L457 HydrophobicContact CD2-CG 3.66Å; L454-L457 HydrophobicContact CG-CB 4.13Å; L454-L457 HydrophobicContact CG-CG 4.18Å; L454-L457 PolarHBondContact O-N 3.41Å; E455-L457 VanDerWaalsContact C-N 3.29Å; E455-L457 PolarHBondContact O-N 2.96Å; L457-D459 HydrophobicContact CB-CB 3.88Å; L457-D459 PolarHBondContact O-N 3.47Å; L457-K486 PolarHBondContact O-NZ 2.73Å
458K88.8Confident87.6Confident123 Ų12330 Ų3054%0.53513%0.132SC..THydrogen-bonded Turntrans48.237.3-164.4-55.7-174.9176.1-174.50111.3L454 E455 Y456 K486 F523L454-K458 PolarHBondContact O-N 3.44Å; E455-K458 PolarHBondContact O-N 2.93Å; Y456-K458 VanDerWaalsContact C-N 3.34Å; K458-K486 VanDerWaalsContact C-NZ 3.35Å; K458-K486 WeakPolarHBondContact O-CE 3.49Å; K458-K486 PolarHBondContact O-NZ 3.27Å; K458-F523 CarbonylContact C-O 3.58Å; K458-F523 WeakPolarHBondContact CA-O 3.49Å; K458-F523 PolarHBondContact O-N 2.62Å
459D90.6Very high87.2Confident2 Ų234.3 Ų34.31%0.01116%0.16CC..EExtended strand (participates in β ladder)trans-112.6165.9-178.8-161.713.1000109.4L454 L457 S484 K486L454-D459 PolarHBondContact N-O 2.95Å; L454-D459 PolarHBondContact O-N 2.91Å; L454-D459 VanDerWaalsContact O-N 3.16Å; L457-D459 HydrophobicContact CB-CB 3.88Å; L457-D459 PolarHBondContact O-N 3.47Å; D459-S484 WeakPolarHBondContact OD2-CB 3.24Å; D459-S484 PolarHBondContact OD2-OG 3.13Å; D459-K486 HydrophobicContact CB-CD 4.02Å; D459-K486 HydrophobicContact CB-CG 4.41Å; D459-K486 WeakPolarHBondContact OD1-CB 3.32Å; D459-K486 VanDerWaalsContact OD1-CG 3.27Å; D459-K486 WeakPolarHBondContact OD1-CG 3.17Å; D459-K486 PolarHBondContact OD1-N 2.63Å
460A90.7Very high86.2Confident0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-135.1148.7169.800000108.9I383 V451 S452 Y453 L485 F523I383-A460 HydrophobicContact CD1-CB 4.33Å; I383-A460 HydrophobicContact CG2-CB 4.2Å; V451-A460 HydrophobicContact CG1-CB 4.29Å; S452-A460 CarbonylContact O-C 3.46Å; S452-A460 VanDerWaalsContact O-CA 3.25Å; S452-A460 WeakPolarHBondContact O-CA 3.16Å; S452-A460 WeakPolarHBondContact O-CB 3.49Å; Y453-A460 HydrophobicContact CD1-CB 4.2Å; A460-L485 HydrophobicContact CB-CD1 3.91Å; A460-L485 WeakPolarHBondContact O-CB 3.2Å; A460-L485 WeakPolarHBondContact O-CG 3.33Å; A460-L485 PolarHBondContact O-N 3.33Å; A460-F523 HydrophobicContact CB-CB 4Å; A460-F523 HydrophobicContact CB-CD2 4.14Å; A460-F523 HydrophobicContact CB-CG 4.08Å
461T90.7Very high84.7Confident1 Ų143.9 Ų43.91%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-107.6132.7176.150.20000109.2L22 V451 S452 T483L22-T461 HydrophobicContact CB-CG2 4.27Å; L22-T461 HydrophobicContact CD2-CG2 4.14Å; V451-T461 WeakPolarHBondContact CA-O 3.27Å; S452-T461 WeakPolarHBondContact CB-OG1 3.24Å; S452-T461 PolarHBondContact N-O 3.16Å; S452-T461 PolarHBondContact O-N 2.86Å; T461-T483 CarbonylContact C-O 3.55Å; T461-T483 WeakPolarHBondContact CA-O 3.43Å
462Y91.9Very high83Confident2 Ų248.4 Ų48.41%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-98.8116.8171.9-170.4-105.6000108.1L393 W395 L425 S449 V451 T464 T483L393-Y462 HydrophobicContact CB-CE2 4.27Å; L393-Y462 HydrophobicContact CD1-CD2 3.73Å; L393-Y462 HydrophobicContact CD1-CE2 4.19Å; L393-Y462 HydrophobicContact CD1-CG 4.42Å; W395-Y462 HydrophobicContact CZ2-CE1 4.33Å; W395-Y462 AromaticContact NE1-CE1 3.77Å; W395-Y462 AromaticContact NE1-CZ 3.88Å; W395-Y462 PolarHBondContact NE1-OH 2.83Å; W395-Y462 VanDerWaalsContact NE1-OH 3.09Å; L425-Y462 HydrophobicContact CD1-CD1 4.48Å; L425-Y462 HydrophobicContact CD1-CE1 3.8Å; L425-Y462 HydrophobicContact CD2-CD1 3.49Å; L425-Y462 VanDerWaalsContact CD2-CD1 3.49Å; L425-Y462 HydrophobicContact CD2-CE1 3.57Å; L425-Y462 HydrophobicContact CD2-CG 4.24Å; L425-Y462 HydrophobicContact CG-CE1 4.34Å; S449-Y462 VanDerWaalsContact CB-CZ 3.49Å; S449-Y462 WeakPolarHBondContact CB-OH 3.35Å; S449-Y462 PolarHBondContact OG-OH 2.97Å; V451-Y462 HydrophobicContact CG2-CD2 3.98Å; V451-Y462 HydrophobicContact CG2-CE2 4.42Å; Y462-T464 WeakPolarHBondContact CD1-OG1 3.4Å; Y462-T464 WeakPolarHBondContact CE1-OG1 3.44Å; Y462-T483 PolarHBondContact N-O 2.95Å; Y462-T483 PolarHBondContact O-N 2.95Å
463I92Very high81.6Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-101.2125.4-179.2-64.1153.1000107.4L41 V52 S449 A450 V480 E481L41-I463 HydrophobicContact CD1-CD1 4.08Å; L41-I463 HydrophobicContact CD2-CD1 3.56Å; L41-I463 HydrophobicContact CG-CD1 4.49Å; V52-I463 HydrophobicContact CG1-CG2 4.33Å; V52-I463 HydrophobicContact CG2-CD1 3.65Å; V52-I463 HydrophobicContact CG2-CG1 4.24Å; V52-I463 HydrophobicContact CG2-CG2 4.22Å; S449-I463 CarbonylContact C-O 3.58Å; S449-I463 WeakPolarHBondContact CA-O 3.49Å; S449-I463 VanDerWaalsContact CB-O 3.32Å; S449-I463 WeakPolarHBondContact CB-O 3.39Å; A450-I463 PolarHBondContact N-O 3.07Å; A450-I463 PolarHBondContact O-N 3.23Å; I463-V480 HydrophobicContact CG2-CG1 4Å; I463-E481 CarbonylContact C-O 3.41Å; I463-E481 VanDerWaalsContact CA-O 3.27Å; I463-E481 WeakPolarHBondContact CA-O 3.3Å
464T91.9Very high80.2Confident9 Ų960.4 Ų60.46%0.05533%0.329CS..EExtended strand (participates in β ladder)trans-119.3134.5177.1-56.10000109.3W395 A446 Y462 V480 E481W395-T464 HydrophobicContact CZ2-CG2 4.14Å; A446-T464 HydrophobicContact CB-CG2 3.74Å; Y462-T464 WeakPolarHBondContact CD1-OG1 3.4Å; Y462-T464 WeakPolarHBondContact CE1-OG1 3.44Å; T464-V480 WeakPolarHBondContact O-CA 3.31Å; T464-E481 PolarHBondContact N-O 2.81Å; T464-E481 PolarHBondContact O-N 2.83Å
465V91Very high79.4Confident0 Ų061.8 Ų61.80%034%0.338CS..EExtended strand (participates in β ladder)trans-108.5124.9169.6-171.40000108.3P37 L39 L54 A446 V447 T448 Q478 V479 V480P37-V465 HydrophobicContact CG-CG1 3.97Å; L39-V465 HydrophobicContact CD2-CG2 4.46Å; L54-V465 HydrophobicContact CD1-CG2 3.92Å; L54-V465 HydrophobicContact CD2-CG1 4.43Å; A446-V465 CarbonylContact C-O 3.47Å; V447-V465 PolarHBondContact N-O 2.92Å; T448-V465 HydrophobicContact CG2-CB 3.78Å; T448-V465 HydrophobicContact CG2-CG2 3.81Å; T448-V465 PolarHBondContact N-O 3.46Å; T448-V465 PolarHBondContact O-N 2.87Å; V465-Q478 HydrophobicContact CG1-CG 3.83Å; V465-V479 CarbonylContact C-O 3.58Å; V465-V479 VanDerWaalsContact CA-O 3.31Å; V465-V479 WeakPolarHBondContact CA-O 3.19Å; V465-V480 HydrophobicContact CG1-CG2 4.31Å; V465-V480 HydrophobicContact CG2-CG2 4.22Å
466S89.3Confident79.2Confident6 Ų656.2 Ų56.24%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-128.8154.5-176.968.20000112.9T445 Q478 V479T445-S466 CarbonylContact O-C 3.59Å; T445-S466 WeakPolarHBondContact O-CA 3.47Å; S466-Q478 CarbonylContact O-C 3.53Å; S466-Q478 WeakPolarHBondContact O-CA 3.36Å; S466-V479 PolarHBondContact N-O 3.47Å; S466-V479 PolarHBondContact O-N 2.78Å
467S87.1Confident79.4Confident13 Ų1347.6 Ų47.69%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-96117.8165.9173.60000108.4A31 T445 S476A31-S467 VanDerWaalsContact CB-OG 3.25Å; A31-S467 WeakPolarHBondContact CB-OG 3.49Å; T445-S467 PolarHBondContact N-O 2.9Å; T445-S467 VanDerWaalsContact N-O 3.1Å; T445-S467 PolarHBondContact O-N 3.21Å; S467-S476 WeakPolarHBondContact OG-CB 3.44Å; S467-S476 PolarHBondContact OG-OG 3.01Å
468R84.9Confident79.8Confident78 Ų7847.9 Ų47.929%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-110.2122.1177.7-175.4176.3-66163.73.8110.3E25 D444 T470 S476 A477 V479E25-R468 VanDerWaalsContact CD-NH2 3.3Å; E25-R468 IonicContact OE1-CZ 3.7Å; E25-R468 VanDerWaalsContact OE1-CZ 3.3Å; E25-R468 IonicContact OE1-NH1 2.78Å; E25-R468 PolarHBondContact OE1-NH1 2.87Å; E25-R468 IonicContact OE1-NH2 3.75Å; E25-R468 PolarHBondContact OE1-NH2 3.28Å; E25-R468 IonicContact OE2-CZ 3.58Å; E25-R468 IonicContact OE2-NH1 2.86Å; E25-R468 PolarHBondContact OE2-NH1 3.38Å; E25-R468 IonicContact OE2-NH2 3.4Å; E25-R468 PolarHBondContact OE2-NH2 3.23Å; D444-R468 IonicContact OD1-NE 3.3Å; D444-R468 IonicContact OD2-CZ 2.61Å; D444-R468 IonicContact OD2-NE 2.67Å; D444-R468 PolarHBondContact OD2-NE 2.82Å; D444-R468 IonicContact OD2-NH2 2.87Å; D444-R468 PolarHBondContact OD2-NH2 2.92Å; D444-R468 VanDerWaalsContact OD2-NH2 3.11Å; R468-T470 PolarHBondContact O-N 3.42Å; R468-S476 CarbonylContact O-C 3.56Å; R468-S476 VanDerWaalsContact O-CA 3.26Å; R468-S476 WeakPolarHBondContact O-CA 3.46Å; R468-S476 WeakPolarHBondContact O-CB 3.36Å; R468-A477 PolarHBondContact N-O 3.44Å; R468-A477 PolarHBondContact O-N 2.93Å; R468-V479 HydrophobicContact CB-CG2 3.9Å
469P78.1Confident79.9Confident100 Ų10042.1 Ų42.165%0.64926%0.261SS*.EExtended strand (participates in β ladder)trans-60.1129.9171.5-20.432000110.6
470T68.6Low80Confident55 Ų5542 Ų4234%0.33726%0.261SS..PPolyproline II helixtrans-88.9131.1173.657.90000110.4R468 G472 S473 T475 A477R468-T470 PolarHBondContact O-N 3.42Å; T470-G472 PolarHBondContact O-N 3.35Å; T470-G472 VanDerWaalsContact O-N 3.16Å; T470-S473 PolarHBondContact O-N 3.09Å; T470-S473 WeakPolarHBondContact OG1-CB 3.5Å; T470-T475 PolarHBondContact N-O 3.08Å; T470-T475 PolarHBondContact OG1-O 3.28Å; T470-A477 HydrophobicContact CG2-CB 3.88Å
471T59.5Low80Confident150 Ų15045.1 Ų45.192%0.9228%0.275SS*.THydrogen-bonded Turntrans-64.4116.2-177.649.80000110.5
472G52.2Low80.1Confident95 Ų9545.1 Ų45.198%0.97928%0.275SS*.THydrogen-bonded Turntrans88.37.5176.400000115.9T470T470-G472 PolarHBondContact O-N 3.35Å; T470-G472 VanDerWaalsContact O-N 3.16Å
473S56.7Low80.1Confident65 Ų6546.3 Ų46.346%0.45528%0.282SS..SBendtrans-122.9150.7170-178.50000110.4T470 T475T470-S473 PolarHBondContact O-N 3.09Å; T470-S473 WeakPolarHBondContact OG1-CB 3.5Å; S473-T475 PolarHBondContact O-N 3.15Å; S473-T475 PolarHBondContact OG-N 3.03Å; S473-T475 PolarHBondContact OG-OG1 2.85Å
474E56.3Low80.1Confident201 Ų20146.3 Ų46.394%0.93928%0.282SS*.SBendtrans-70.8-10.5170.4-66.4-174.815900112.5
475T64.9Low80.1Confident43 Ų4345.9 Ų45.926%0.26428%0.28SS..PPolyproline II helixtrans-95.2141.5-177.259.90000112.3T470 S473T470-T475 PolarHBondContact N-O 3.08Å; T470-T475 PolarHBondContact OG1-O 3.28Å; S473-T475 PolarHBondContact O-N 3.15Å; S473-T475 PolarHBondContact OG-N 3.03Å; S473-T475 PolarHBondContact OG-OG1 2.85Å
476S75.7Confident80.1Confident28 Ų2847.3 Ų47.320%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-96.2145.2168.647.20000109.1D30 A31 S467 R468D30-S476 CarbonylContact C-O 3.52Å; D30-S476 WeakPolarHBondContact CA-O 3.15Å; A31-S476 VanDerWaalsContact CB-OG 3.27Å; A31-S476 WeakPolarHBondContact CB-OG 3.39Å; A31-S476 PolarHBondContact N-O 2.9Å; S467-S476 WeakPolarHBondContact OG-CB 3.44Å; S467-S476 PolarHBondContact OG-OG 3.01Å; R468-S476 CarbonylContact O-C 3.56Å; R468-S476 VanDerWaalsContact O-CA 3.26Å; R468-S476 WeakPolarHBondContact O-CA 3.46Å; R468-S476 WeakPolarHBondContact O-CB 3.36Å
477A84.5Confident80.2Confident17 Ų1747.6 Ų47.614%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-88.7140173.400000109.3R468 T470 V479R468-A477 PolarHBondContact N-O 3.44Å; R468-A477 PolarHBondContact O-N 2.93Å; T470-A477 HydrophobicContact CG2-CB 3.88Å; A477-V479 HydrophobicContact CB-CG2 4.38Å
478Q89.5Confident80.5Confident17 Ų1747.3 Ų47.38%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-82.8125.4165.8167.9176.580.700108.1A27 L28 G29 A31 L54 V465 S466A27-Q478 CarbonylContact C-O 3.55Å; A27-Q478 WeakPolarHBondContact CA-O 3.48Å; L28-Q478 PolarHBondContact N-O 2.97Å; L28-Q478 WeakPolarHBondContact O-CB 3.34Å; L28-Q478 PolarHBondContact O-OE1 3.08Å; G29-Q478 PolarHBondContact O-N 2.8Å; A31-Q478 HydrophobicContact CB-CB 4.17Å; L54-Q478 HydrophobicContact CD2-CG 4.35Å; L54-Q478 VanDerWaalsContact CD2-OE1 3.29Å; V465-Q478 HydrophobicContact CG1-CG 3.83Å; S466-Q478 CarbonylContact O-C 3.53Å; S466-Q478 WeakPolarHBondContact O-CA 3.36Å
479V91.1Very high80.9Confident3 Ų343.8 Ų43.82%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-120.3130.4-174.2177.40000108.6E25 R26 V465 S466 R468 A477E25-V479 HydrophobicContact CG-CG1 3.24Å; E25-V479 WeakPolarHBondContact OE1-CG1 3.31Å; R26-V479 WeakPolarHBondContact O-CA 3.42Å; V465-V479 CarbonylContact C-O 3.58Å; V465-V479 VanDerWaalsContact CA-O 3.31Å; V465-V479 WeakPolarHBondContact CA-O 3.19Å; S466-V479 PolarHBondContact N-O 3.47Å; S466-V479 PolarHBondContact O-N 2.78Å; R468-V479 HydrophobicContact CB-CG2 3.9Å; A477-V479 HydrophobicContact CB-CG2 4.38Å
480V92.7Very high81.5Confident0 Ų044 Ų440%027%0.265CS..EExtended strand (participates in β ladder)trans-108125.2172.1-175.30000108.3W24 E25 R26 L28 V52 L54 I463 T464 V465W24-V480 HydrophobicContact CH2-CG1 3.85Å; W24-V480 HydrophobicContact CZ3-CB 4.18Å; W24-V480 HydrophobicContact CZ3-CG1 3.92Å; E25-V480 CarbonylContact C-O 3.49Å; E25-V480 WeakPolarHBondContact CA-O 3.37Å; R26-V480 PolarHBondContact N-O 3.46Å; R26-V480 PolarHBondContact O-N 3.39Å; L28-V480 HydrophobicContact CD1-CB 4.39Å; L28-V480 HydrophobicContact CD1-CG2 3.62Å; L28-V480 HydrophobicContact CG-CG2 4.34Å; V52-V480 HydrophobicContact CG1-CG1 4.34Å; L54-V480 HydrophobicContact CD2-CG2 3.78Å; I463-V480 HydrophobicContact CG2-CG1 4Å; T464-V480 WeakPolarHBondContact O-CA 3.31Å; V465-V480 HydrophobicContact CG1-CG2 4.31Å; V465-V480 HydrophobicContact CG2-CG2 4.22Å
481E92.2Very high82.6Confident65 Ų6547 Ų4730%0.30428%0.283SS..EExtended strand (participates in β ladder)trans-118.1133.6177.4-174.7179.8-170.700109.3W24 E25 I463 T464W24-E481 WeakPolarHBondContact O-CA 3.49Å; E25-E481 HydrophobicContact CG-CB 4.4Å; I463-E481 CarbonylContact C-O 3.41Å; I463-E481 VanDerWaalsContact CA-O 3.27Å; I463-E481 WeakPolarHBondContact CA-O 3.3Å; T464-E481 PolarHBondContact N-O 2.81Å; T464-E481 PolarHBondContact O-N 2.83Å
482S92.5Very high84.1Confident1 Ų140.5 Ų40.51%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-113.2129.2170.7-177.30000109.2Q23 W24Q23-S482 WeakPolarHBondContact CA-O 3.27Å; W24-S482 PolarHBondContact N-O 3.47Å; W24-S482 PolarHBondContact O-N 3.36Å
483T90.9Very high86Confident26 Ų2641.9 Ų41.916%0.1623%0.227CC..EExtended strand (participates in β ladder)trans-129.9119.5-179.2-64.30000111.1T461 Y462 L485 A488T461-T483 CarbonylContact C-O 3.55Å; T461-T483 WeakPolarHBondContact CA-O 3.43Å; Y462-T483 PolarHBondContact N-O 2.95Å; Y462-T483 PolarHBondContact O-N 2.95Å; T483-L485 PolarHBondContact O-N 3Å; T483-A488 HydrophobicContact CG2-CB 3.8Å
484S91.9Very high87.7Confident0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-59.6126165.1158.30000110.9L22 D459 K486 A487 A488L22-S484 PolarHBondContact O-N 2.89Å; D459-S484 WeakPolarHBondContact OD2-CB 3.24Å; D459-S484 PolarHBondContact OD2-OG 3.13Å; S484-K486 PolarHBondContact OG-N 3.14Å; S484-A487 PolarHBondContact O-N 2.87Å; S484-A487 WeakPolarHBondContact OG-CB 3.21Å; S484-A487 PolarHBondContact OG-N 3.03Å; S484-A487 VanDerWaalsContact OG-N 3.09Å; S484-A488 WeakPolarHBondContact O-CB 3.44Å; S484-A488 PolarHBondContact O-N 3.07Å
485L92.8Very high89.4Confident1 Ų131.8 Ų31.81%0.00518%0.175CC..Hα-helixtrans-68.5-40.2177.9-70.3-176.7000111.7I383 L393 L439 A460 T483 A487 A488 I489 F523I383-L485 HydrophobicContact CD1-CD1 3.31Å; L393-L485 HydrophobicContact CD1-CD1 3.91Å; L393-L485 HydrophobicContact CD1-CD2 4.09Å; L393-L485 HydrophobicContact CD2-CD2 4.3Å; L439-L485 HydrophobicContact CD1-CD2 3.84Å; A460-L485 HydrophobicContact CB-CD1 3.91Å; A460-L485 WeakPolarHBondContact O-CB 3.2Å; A460-L485 WeakPolarHBondContact O-CG 3.33Å; A460-L485 PolarHBondContact O-N 3.33Å; T483-L485 PolarHBondContact O-N 3Å; L485-A487 VanDerWaalsContact C-N 3.29Å; L485-A487 PolarHBondContact O-N 3.26Å; L485-A488 PolarHBondContact O-N 2.68Å; L485-I489 VanDerWaalsContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CB 3.3Å; L485-I489 WeakPolarHBondContact O-CD1 3.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.21Å; L485-I489 PolarHBondContact O-N 3.24Å; L485-F523 HydrophobicContact CB-CD2 4.44Å; L485-F523 HydrophobicContact CB-CE2 3.7Å; L485-F523 HydrophobicContact CB-CZ 4.09Å; L485-F523 HydrophobicContact CD1-CE2 4.27Å; L485-F523 HydrophobicContact CD1-CZ 4.18Å
486K91.8Very high90.6Very high29 Ų2933.7 Ų33.713%0.12618%0.181CC..Hα-helixtrans-59.9-40.8173.6-82.1-178.6-177174.30112.5L457 K458 D459 S484 K490 L521 F523L457-K486 PolarHBondContact O-NZ 2.73Å; K458-K486 VanDerWaalsContact C-NZ 3.35Å; K458-K486 WeakPolarHBondContact O-CE 3.49Å; K458-K486 PolarHBondContact O-NZ 3.27Å; D459-K486 HydrophobicContact CB-CD 4.02Å; D459-K486 HydrophobicContact CB-CG 4.41Å; D459-K486 WeakPolarHBondContact OD1-CB 3.32Å; D459-K486 VanDerWaalsContact OD1-CG 3.27Å; D459-K486 WeakPolarHBondContact OD1-CG 3.17Å; D459-K486 PolarHBondContact OD1-N 2.63Å; S484-K486 PolarHBondContact OG-N 3.14Å; K486-K490 WeakPolarHBondContact O-CG 3.42Å; K486-K490 PolarHBondContact O-N 2.96Å; K486-L521 WeakPolarHBondContact CE-O 3.42Å; K486-F523 HydrophobicContact CG-CE2 4.4Å
487A90.4Very high91Very high13 Ų1333.5 Ų33.511%0.10718%0.177CC..Hα-helixtrans-65.8-47.8176.300000111Q23 S484 L485 I489 K490Q23-A487 VanDerWaalsContact NE2-CB 3.3Å; S484-A487 PolarHBondContact O-N 2.87Å; S484-A487 WeakPolarHBondContact OG-CB 3.21Å; S484-A487 PolarHBondContact OG-N 3.03Å; S484-A487 VanDerWaalsContact OG-N 3.09Å; L485-A487 VanDerWaalsContact C-N 3.29Å; L485-A487 PolarHBondContact O-N 3.26Å; A487-I489 VanDerWaalsContact C-N 3.33Å; A487-I489 PolarHBondContact O-N 3.14Å; A487-K490 WeakPolarHBondContact O-CB 3.22Å; A487-K490 PolarHBondContact O-N 2.99Å
488A92.3Very high90.1Very high7 Ų734.7 Ų34.76%0.05819%0.191CC..Hα-helixtrans-61.7-37.8178.400000112.9L439 T483 S484 L485 K490 T491 G492L439-A488 HydrophobicContact CB-CB 4.25Å; L439-A488 HydrophobicContact CD2-CB 4.13Å; T483-A488 HydrophobicContact CG2-CB 3.8Å; S484-A488 WeakPolarHBondContact O-CB 3.44Å; S484-A488 PolarHBondContact O-N 3.07Å; L485-A488 PolarHBondContact O-N 2.68Å; A488-K490 VanDerWaalsContact C-N 3.31Å; A488-K490 PolarHBondContact O-N 2.84Å; A488-T491 PolarHBondContact O-N 2.87Å; A488-T491 PolarHBondContact O-OG1 2.57Å; A488-G492 WeakPolarHBondContact O-CA 3.09Å; A488-G492 PolarHBondContact O-N 2.94Å
489I94.3Very high88.3Confident3 Ų340.1 Ų40.12%0.01522%0.217CC..Hα-helixtrans-63.6-36.2177.5-74.5164.7000111.8L427 L437 L439 L485 A487 T491 G492 F518 R519 L521 F523L427-I489 HydrophobicContact CD1-CD1 4.04Å; L427-I489 HydrophobicContact CD1-CG1 4.26Å; L437-I489 HydrophobicContact CD2-CB 4.1Å; L437-I489 HydrophobicContact CD2-CG1 3.74Å; L437-I489 HydrophobicContact CD2-CG2 3.96Å; L439-I489 HydrophobicContact CD2-CG1 3.95Å; L485-I489 VanDerWaalsContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CB 3.3Å; L485-I489 WeakPolarHBondContact O-CD1 3.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.21Å; L485-I489 PolarHBondContact O-N 3.24Å; A487-I489 VanDerWaalsContact C-N 3.33Å; A487-I489 PolarHBondContact O-N 3.14Å; I489-T491 PolarHBondContact O-N 3Å; I489-G492 PolarHBondContact O-N 2.95Å; I489-F518 HydrophobicContact CG2-CB 4Å; I489-F518 WeakPolarHBondContact CG2-O 3.5Å; I489-R519 HydrophobicContact CG2-CG 4.42Å; I489-L521 HydrophobicContact CD1-CD1 4.33Å; I489-F523 HydrophobicContact CD1-CE2 4.14Å; I489-F523 HydrophobicContact CD1-CZ 3.76Å
490K91.1Very high86Confident104 Ų10446 Ų4645%0.45225%0.248SC..Hα-helixtrans-62-35.4-180-72.2167.6-171.8176.90111.9E19 K486 A487 A488 R519E19-K490 IonicContact OE1-NZ 3.59Å; E19-K490 IonicContact OE2-NZ 2.62Å; E19-K490 PolarHBondContact OE2-NZ 3.35Å; K486-K490 WeakPolarHBondContact O-CG 3.42Å; K486-K490 PolarHBondContact O-N 2.96Å; A487-K490 WeakPolarHBondContact O-CB 3.22Å; A487-K490 PolarHBondContact O-N 2.99Å; A488-K490 VanDerWaalsContact C-N 3.31Å; A488-K490 PolarHBondContact O-N 2.84Å; K490-R519 PolarHBondContact O-NH2 3.29Å
491T90.5Very high83.4Confident118 Ų11854.3 Ų54.372%0.72429%0.287SS*.Hα-helixtrans-99.5-6.1-178.954.40000113.7A488 I489A488-T491 PolarHBondContact O-N 2.87Å; A488-T491 PolarHBondContact O-OG1 2.57Å; I489-T491 PolarHBondContact O-N 3Å
492G91Very high80.8Confident14 Ų1460.2 Ų60.214%0.14432%0.315CS..  trans-65.1153.2-175.600000113.5Q438 A488 I489Q438-G492 CarbonylContact O-C 3.3Å; Q438-G492 WeakPolarHBondContact O-CA 3.25Å; A488-G492 WeakPolarHBondContact O-CA 3.09Å; A488-G492 PolarHBondContact O-N 2.94Å; I489-G492 PolarHBondContact O-N 2.95Å
493Q93Very high78.2Confident124 Ų12464.4 Ų64.458%0.57934%0.34SS*.EExtended strand (participates in β ladder)trans-107.2129.9-179.9-175.2177.75.100110.8Q438Q438-Q493 HydrophobicContact CB-CB 4.46Å; Q438-Q493 WeakPolarHBondContact CB-O 3.33Å; Q438-Q493 PolarHBondContact N-O 3.31Å; Q438-Q493 PolarHBondContact O-N 2.95Å
494I92.8Very high75.5Confident38 Ų3871.3 Ų71.320%0.19537%0.371CS..EExtended strand (participates in β ladder)trans-74.8130175.5-64169.8000109.8A435 L436 L437 A511 V514 N515A435-I494 HydrophobicContact CB-CG2 4.22Å; L436-I494 CarbonylContact O-C 3.56Å; L436-I494 WeakPolarHBondContact O-CA 3.26Å; L437-I494 HydrophobicContact CD1-CG1 4.08Å; I494-A511 WeakPolarHBondContact CD1-O 3.14Å; I494-V514 HydrophobicContact CD1-CB 3.97Å; I494-V514 HydrophobicContact CD1-CG1 3.81Å; I494-V514 HydrophobicContact CG1-CG1 4.43Å; I494-N515 HydrophobicContact CD1-CB 3.73Å
495V91.6Very high72.7Confident17 Ų1776.3 Ų76.310%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-118.8112.4174.7-179.40000108.3P399 F426 L436 Q438P399-V495 HydrophobicContact CG-CG1 3.56Å; F426-V495 HydrophobicContact CE1-CB 4.3Å; F426-V495 HydrophobicContact CE1-CG2 4.06Å; L436-V495 HydrophobicContact CB-CB 4.47Å; L436-V495 PolarHBondContact N-O 3.05Å; L436-V495 PolarHBondContact O-N 2.88Å; Q438-V495 HydrophobicContact CB-CG2 4.12Å
496Q89.7Confident70.1Confident83 Ų8379.5 Ų79.539%0.38844%0.439SS..EExtended strand (participates in β ladder)trans-78.5130.6176.5-64.5-66.9-1200110.2A434A434-Q496 PolarHBondContact O-OE1 3.48Å
497L85.4Confident67.8Low23 Ų2381.3 Ų81.312%0.1247%0.465CS..PPolyproline II helixtrans-80.4138.3168.3-61.7171.4000107.7W367 A369 P399 A434 L436 E499W367-L497 HydrophobicContact CZ2-CD1 3.66Å; A369-L497 HydrophobicContact CB-CD1 4Å; A369-L497 HydrophobicContact CB-CD2 4.17Å; P399-L497 HydrophobicContact CB-CD2 3.85Å; P399-L497 HydrophobicContact CG-CD2 4.35Å; A434-L497 WeakPolarHBondContact O-CB 3.45Å; A434-L497 PolarHBondContact O-N 2.95Å; L436-L497 HydrophobicContact CD1-CD1 4.09Å; L436-L497 HydrophobicContact CD1-CD2 3.79Å; L436-L497 HydrophobicContact CD1-CG 4.15Å; L436-L497 HydrophobicContact CD2-CD1 4.35Å; L436-L497 HydrophobicContact CG-CD1 3.92Å; L436-L497 HydrophobicContact CG-CD2 4.33Å; L436-L497 HydrophobicContact CG-CG 4.14Å; L497-E499 PolarHBondContact O-N 2.87Å
498G65.1Low65.9Low42 Ų4289.1 Ų89.143%0.43350%0.497SS..PPolyproline II helixtrans-53.6135.8-175.200000112N500G498-N500 PolarHBondContact O-N 3.23Å
499E50.7Low64.4Low132 Ų13292.5 Ų92.562%0.61752%0.516SS*.PPolyproline II helixtrans-64.6122.5-179.4-70.5171.4166.800110.1L497L497-E499 PolarHBondContact O-N 2.87Å
500N43.6Very low63.3Low127 Ų12795.9 Ų95.968%0.67954%0.537SS*.PPolyproline II helixtrans-70.2131.1156.3-80.5-12.4000107.3G498 E502 T503G498-N500 PolarHBondContact O-N 3.23Å; N500-E502 PolarHBondContact O-N 2.92Å; N500-T503 PolarHBondContact O-N 2.99Å; N500-T503 PolarHBondContact O-OG1 2.81Å; N500-T503 VanDerWaalsContact O-OG1 3.07Å
501Q37.2Very low62.7Low174 Ų17493.9 Ų93.981%0.81354%0.541SS*.G310 helixtrans-58.4-4-171-72.4-176.1-26.400115.8
502E37.3Very low62.2Low189 Ų18995.3 Ų95.388%0.88354%0.538SS*.G310 helixtrans-87.9-6.4179-70.4-175.3157.500114.2N500N500-E502 PolarHBondContact O-N 2.92Å
503T38.3Very low62Low89 Ų8999.5 Ų99.555%0.54656%0.555SS.*G310 helixtrans-96.88-175.6-9.90000114.6N500 A505 A506N500-T503 PolarHBondContact O-N 2.99Å; N500-T503 PolarHBondContact O-OG1 2.81Å; N500-T503 VanDerWaalsContact O-OG1 3.07Å; T503-A505 PolarHBondContact O-N 2.74Å; T503-A505 VanDerWaalsContact O-N 3.1Å; T503-A506 PolarHBondContact O-N 3.14Å
504E34.8Very low61.7Low171 Ų17193.9 Ų93.980%0.79953%0.528SS*.THydrogen-bonded Turntrans-66.2-9.1178.2-75.9-167.2151.900114
505A33Very low61.5Low104 Ų10493.7 Ų93.786%0.8653%0.528SS*.THydrogen-bonded Turntrans-89.1-11.9177.700000114.7T503T503-A505 PolarHBondContact O-N 2.74Å; T503-A505 VanDerWaalsContact O-N 3.1Å
506A39Very low61.4Low69 Ų6994.3 Ų94.357%0.5754%0.535SS*.SBendtrans-106.9109.7176.400000108.9T503 K508T503-A506 PolarHBondContact O-N 3.14Å; A506-K508 PolarHBondContact O-N 2.92Å
507G43.5Very low61.6Low66 Ų6693 Ų9368%0.6853%0.528SS*.  trans-42.6136.3-169.700000114.3V509G507-V509 PolarHBondContact O-N 3.02Å
508K50.3Low62Low177 Ų17792 Ų9277%0.7752%0.523SS*.  trans-51.896.9176.8-80.6-179.2174.2175.10110.3A506 T510A506-K508 PolarHBondContact O-N 2.92Å; K508-T510 PolarHBondContact O-N 3.1Å
509V60.4Low63.3Low78 Ų7896.8 Ų96.847%0.47353%0.528SS..  trans-59.3122.2168.5-178.50000106.4G507 E513 V514G507-V509 PolarHBondContact O-N 3.02Å; V509-E513 HydrophobicContact CG1-CB 3.69Å; V509-E513 WeakPolarHBondContact CG1-OE2 3.25Å; V509-V514 HydrophobicContact CG1-CG2 3.8Å
510T71.8Confident65.3Low74 Ų74100.3 Ų100.345%0.45454%0.535SS..  trans-67.2146.8-174.561.80000109.6K508 H512 E513 V514K508-T510 PolarHBondContact O-N 3.1Å; T510-H512 PolarHBondContact O-N 3.17Å; T510-E513 PolarHBondContact N-OE2 2.99Å; T510-E513 PolarHBondContact O-N 3.44Å; T510-E513 VanDerWaalsContact OG1-CG 3.31Å; T510-E513 WeakPolarHBondContact OG1-CG 3.46Å; T510-E513 PolarHBondContact OG1-N 3.34Å; T510-E513 PolarHBondContact OG1-OE2 2.9Å; T510-E513 VanDerWaalsContact OG1-OE2 3.06Å; T510-V514 PolarHBondContact O-N 3.26Å
511A76.8Confident67.6Low63 Ų6394.9 Ų94.952%0.52151%0.506SS..Hα-helixtrans-55-25.117600000112.5I494 N515I494-A511 WeakPolarHBondContact CD1-O 3.14Å; A511-N515 WeakPolarHBondContact O-CB 3.43Å; A511-N515 PolarHBondContact O-N 3.35Å; A511-N515 VanDerWaalsContact O-N 3.08Å
512H81.9Confident70.3Confident147 Ų14787.4 Ų87.468%0.68147%0.473SS*.Hα-helixtrans-67.5-44.2174.3-166.563.9000112.9T510 N515 A516T510-H512 PolarHBondContact O-N 3.17Å; H512-N515 PolarHBondContact O-N 3.2Å; H512-A516 WeakPolarHBondContact O-CB 3.48Å; H512-A516 PolarHBondContact O-N 3.17Å
513E85.9Confident72.9Confident103 Ų10378.6 Ų78.648%0.48143%0.432SS..Hα-helixtrans-64.4-43.1177.1-73.7163.3152.900111.6V509 T510 N515 A516 F517V509-E513 HydrophobicContact CG1-CB 3.69Å; V509-E513 WeakPolarHBondContact CG1-OE2 3.25Å; T510-E513 PolarHBondContact N-OE2 2.99Å; T510-E513 PolarHBondContact O-N 3.44Å; T510-E513 VanDerWaalsContact OG1-CG 3.31Å; T510-E513 WeakPolarHBondContact OG1-CG 3.46Å; T510-E513 PolarHBondContact OG1-N 3.34Å; T510-E513 PolarHBondContact OG1-OE2 2.9Å; T510-E513 VanDerWaalsContact OG1-OE2 3.06Å; E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 3.42Å; E513-A516 PolarHBondContact O-N 3.48Å; E513-F517 PolarHBondContact O-N 3.41Å
514V87.1Confident75.2Confident5 Ų578.7 Ų78.73%0.0343%0.425CS..Hα-helixtrans-61.2-43.7175.8178.80000110.8A435 I494 V509 T510 F517 F518A435-V514 HydrophobicContact CB-CG1 3.97Å; I494-V514 HydrophobicContact CD1-CB 3.97Å; I494-V514 HydrophobicContact CD1-CG1 3.81Å; I494-V514 HydrophobicContact CG1-CG1 4.43Å; V509-V514 HydrophobicContact CG1-CG2 3.8Å; T510-V514 PolarHBondContact O-N 3.26Å; V514-F517 WeakPolarHBondContact O-CB 3.25Å; V514-F517 PolarHBondContact O-N 2.8Å; V514-F518 HydrophobicContact CG1-CD2 3.75Å; V514-F518 HydrophobicContact CG1-CE2 3.46Å; V514-F518 VanDerWaalsContact CG1-CE2 3.46Å; V514-F518 WeakPolarHBondContact O-CD2 3.36Å; V514-F518 PolarHBondContact O-N 2.92Å
515N88.1Confident77.4Confident34 Ų3473.2 Ų73.218%0.18240%0.404CS..Hα-helixtrans-65-42.4176.9-164.40.8000111.7I494 A511 H512 E513 F517 F518 R519I494-N515 HydrophobicContact CD1-CB 3.73Å; A511-N515 WeakPolarHBondContact O-CB 3.43Å; A511-N515 PolarHBondContact O-N 3.35Å; A511-N515 VanDerWaalsContact O-N 3.08Å; H512-N515 PolarHBondContact O-N 3.2Å; E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 3.42Å; N515-F517 VanDerWaalsContact C-N 3.27Å; N515-F517 PolarHBondContact O-N 3.09Å; N515-F518 PolarHBondContact O-N 2.66Å; N515-R519 WeakPolarHBondContact O-CB 3.27Å; N515-R519 VanDerWaalsContact O-CG 3.26Å; N515-R519 WeakPolarHBondContact O-CG 3.14Å; N515-R519 PolarHBondContact O-N 3.05Å; N515-R519 PolarHBondContact OD1-NE 2.76Å
516A90.2Very high79.1Confident31 Ų3171.4 Ų71.426%0.25638%0.378SS..Hα-helixtrans-62-36.4176.100000112H512 E513 R520H512-A516 WeakPolarHBondContact O-CB 3.48Å; H512-A516 PolarHBondContact O-N 3.17Å; E513-A516 PolarHBondContact O-N 3.48Å; A516-R520 WeakPolarHBondContact O-CD 3.43Å; A516-R520 VanDerWaalsContact O-CG 3.3Å; A516-R520 WeakPolarHBondContact O-CG 3.32Å; A516-R520 PolarHBondContact O-N 3.47Å
517F93.8Very high81.1Confident55 Ų5571.5 Ų71.524%0.24137%0.368CS..Hα-helixtrans-61.9-56.3173173.1-90.1000111.5H429 A431 H432 E513 V514 N515 R519 R520 L521H429-F517 HydrophobicContact CB-CE1 4.12Å; H429-F517 AromaticContact CD2-CE1 3.88Å; H429-F517 AromaticContact CD2-CZ 3.93Å; H429-F517 AromaticContact CE1-CE1 3.95Å; H429-F517 AromaticContact CE1-CZ 3.39Å; H429-F517 WeakPolarHBondContact CE1-CZ 3.49Å; H429-F517 AromaticContact CG-CE1 3.58Å; H429-F517 AromaticContact CG-CZ 3.85Å; H429-F517 AromaticContact ND1-CE1 3.58Å; H429-F517 AromaticContact ND1-CZ 3.46Å; H429-F517 WeakPolarHBondContact ND1-CZ 3.21Å; H429-F517 AromaticContact NE2-CZ 3.64Å; A431-F517 HydrophobicContact CB-CE1 4.34Å; A431-F517 HydrophobicContact CB-CE2 4.06Å; A431-F517 HydrophobicContact CB-CZ 3.78Å; H432-F517 AromaticContact CD2-CD1 3.32Å; H432-F517 WeakPolarHBondContact CD2-CD1 3.13Å; H432-F517 AromaticContact CD2-CE1 3.88Å; H432-F517 AromaticContact CD2-CG 3.59Å; H432-F517 WeakPolarHBondContact NE2-CB 3.41Å; H432-F517 AromaticContact NE2-CD1 3.61Å; H432-F517 AromaticContact NE2-CD2 3.83Å; H432-F517 AromaticContact NE2-CG 3.31Å; H432-F517 VanDerWaalsContact NE2-CG 3.31Å; H432-F517 WeakPolarHBondContact NE2-CG 3.36Å; E513-F517 PolarHBondContact O-N 3.41Å; V514-F517 WeakPolarHBondContact O-CB 3.25Å; V514-F517 PolarHBondContact O-N 2.8Å; N515-F517 VanDerWaalsContact C-N 3.27Å; N515-F517 PolarHBondContact O-N 3.09Å; F517-R519 VanDerWaalsContact C-N 3.28Å; F517-R519 PolarHBondContact O-N 2.75Å; F517-R520 WeakPolarHBondContact O-CB 3.47Å; F517-R520 PolarHBondContact O-N 2.8Å; F517-L521 HydrophobicContact CE1-CD2 3.88Å; F517-L521 HydrophobicContact CE1-CG 4.41Å; F517-L521 HydrophobicContact CZ-CD2 3.93Å
518F93.1Very high83.1Confident1 Ų171.8 Ų71.80%0.00435%0.352CS..Hα-helixtrans-57.8-41.9-177.6-79.5-68.4000111.9L427 H429 L437 I489 V514 N515 R520 L521L427-F518 HydrophobicContact CD2-CD1 3.84Å; L427-F518 HydrophobicContact CD2-CE1 3.44Å; L427-F518 VanDerWaalsContact CD2-CE1 3.44Å; H429-F518 HydrophobicContact CB-CE1 3.72Å; H429-F518 HydrophobicContact CB-CZ 4.26Å; L437-F518 HydrophobicContact CB-CD1 4.38Å; L437-F518 HydrophobicContact CB-CD2 4.45Å; L437-F518 HydrophobicContact CB-CE1 4.27Å; L437-F518 HydrophobicContact CB-CE2 4.32Å; L437-F518 HydrophobicContact CB-CG 4.5Å; L437-F518 HydrophobicContact CB-CZ 4.25Å; L437-F518 HydrophobicContact CD2-CB 4.01Å; L437-F518 HydrophobicContact CD2-CD1 4.02Å; L437-F518 HydrophobicContact CD2-CD2 4.49Å; L437-F518 HydrophobicContact CD2-CG 3.94Å; I489-F518 HydrophobicContact CG2-CB 4Å; I489-F518 WeakPolarHBondContact CG2-O 3.5Å; V514-F518 HydrophobicContact CG1-CD2 3.75Å; V514-F518 HydrophobicContact CG1-CE2 3.46Å; V514-F518 VanDerWaalsContact CG1-CE2 3.46Å; V514-F518 WeakPolarHBondContact O-CD2 3.36Å; V514-F518 PolarHBondContact O-N 2.92Å; N515-F518 PolarHBondContact O-N 2.66Å; F518-R520 PolarHBondContact O-N 2.73Å; F518-R520 VanDerWaalsContact O-N 3.11Å; F518-L521 HydrophobicContact CD1-CD1 3.66Å; F518-L521 HydrophobicContact CE1-CD1 4.37Å; F518-L521 VanDerWaalsContact O-CB 3.29Å; F518-L521 WeakPolarHBondContact O-CB 3.36Å; F518-L521 VanDerWaalsContact O-CG 3.31Å; F518-L521 WeakPolarHBondContact O-CG 3.19Å; F518-L521 PolarHBondContact O-N 3.48Å
519R92Very high84.9Confident144 Ų14465.9 Ų65.954%0.54333%0.329SS..THydrogen-bonded Turntrans-63-17.1178.3-72.1173.6177.5-166.5-6.3114.6I489 K490 N515 F517I489-R519 HydrophobicContact CG2-CG 4.42Å; K490-R519 PolarHBondContact O-NH2 3.29Å; N515-R519 WeakPolarHBondContact O-CB 3.27Å; N515-R519 VanDerWaalsContact O-CG 3.26Å; N515-R519 WeakPolarHBondContact O-CG 3.14Å; N515-R519 PolarHBondContact O-N 3.05Å; N515-R519 PolarHBondContact OD1-NE 2.76Å; F517-R519 VanDerWaalsContact C-N 3.28Å; F517-R519 PolarHBondContact O-N 2.75Å
520R92.4Very high86.4Confident206 Ų20665.2 Ų65.278%0.77732%0.32SS*.THydrogen-bonded Turntrans-95.1-3.1176.9-68.8172.2-175.9-178.73.2112.9A516 F517 F518 S522A516-R520 WeakPolarHBondContact O-CD 3.43Å; A516-R520 VanDerWaalsContact O-CG 3.3Å; A516-R520 WeakPolarHBondContact O-CG 3.32Å; A516-R520 PolarHBondContact O-N 3.47Å; F517-R520 WeakPolarHBondContact O-CB 3.47Å; F517-R520 PolarHBondContact O-N 2.8Å; F518-R520 PolarHBondContact O-N 2.73Å; F518-R520 VanDerWaalsContact O-N 3.11Å; R520-S522 PolarHBondContact O-N 3.44Å
521L93.3Very high87.3Confident12 Ų1264.7 Ų64.76%0.06331%0.312CS..  trans-59.2139.4177.9-69.9178.3000111T385 V391 L427 K486 I489 F517 F518 F523T385-L521 HydrophobicContact CG2-CD2 4.29Å; V391-L521 HydrophobicContact CG1-CD1 4.12Å; L427-L521 HydrophobicContact CD2-CD1 4.37Å; K486-L521 WeakPolarHBondContact CE-O 3.42Å; I489-L521 HydrophobicContact CD1-CD1 4.33Å; F517-L521 HydrophobicContact CE1-CD2 3.88Å; F517-L521 HydrophobicContact CE1-CG 4.41Å; F517-L521 HydrophobicContact CZ-CD2 3.93Å; F518-L521 HydrophobicContact CD1-CD1 3.66Å; F518-L521 HydrophobicContact CE1-CD1 4.37Å; F518-L521 VanDerWaalsContact O-CB 3.29Å; F518-L521 WeakPolarHBondContact O-CB 3.36Å; F518-L521 VanDerWaalsContact O-CG 3.31Å; F518-L521 WeakPolarHBondContact O-CG 3.19Å; F518-L521 PolarHBondContact O-N 3.48Å; L521-F523 HydrophobicContact CB-CZ 4.22Å
522S92.9Very high88Confident18 Ų1864.8 Ų64.813%0.12630%0.298CS..  trans-136.4144.1170.478.80000108.9T385 S386 R520T385-S522 CarbonylContact C-O 3.54Å; T385-S522 VanDerWaalsContact CA-O 3.27Å; T385-S522 WeakPolarHBondContact CA-O 3.31Å; S386-S522 WeakPolarHBondContact CB-OG 3.35Å; S386-S522 PolarHBondContact N-O 2.85Å; S386-S522 PolarHBondContact OG-OG 3.37Å; R520-S522 PolarHBondContact O-N 3.44Å
523F92.1Very high88.4Confident4 Ų458.9 Ų58.92%0.01827%0.27CS..BIsolated β-bridgetrans-108.4153.3-170.2-54.5-71.1000110I383 S384 T385 V391 K458 A460 L485 K486 I489 L521I383-F523 HydrophobicContact CG2-CB 4.17Å; I383-F523 HydrophobicContact CG2-CD1 3.64Å; I383-F523 HydrophobicContact CG2-CE1 4.41Å; I383-F523 HydrophobicContact CG2-CG 4.14Å; S384-F523 WeakPolarHBondContact O-CA 3.37Å; T385-F523 HydrophobicContact CG2-CD1 4.39Å; T385-F523 HydrophobicContact CG2-CE1 4.4Å; V391-F523 HydrophobicContact CG1-CE1 4.46Å; V391-F523 HydrophobicContact CG2-CD1 4.41Å; V391-F523 HydrophobicContact CG2-CE1 3.77Å; K458-F523 CarbonylContact C-O 3.58Å; K458-F523 WeakPolarHBondContact CA-O 3.49Å; K458-F523 PolarHBondContact O-N 2.62Å; A460-F523 HydrophobicContact CB-CB 4Å; A460-F523 HydrophobicContact CB-CD2 4.14Å; A460-F523 HydrophobicContact CB-CG 4.08Å; L485-F523 HydrophobicContact CB-CD2 4.44Å; L485-F523 HydrophobicContact CB-CE2 3.7Å; L485-F523 HydrophobicContact CB-CZ 4.09Å; L485-F523 HydrophobicContact CD1-CE2 4.27Å; L485-F523 HydrophobicContact CD1-CZ 4.18Å; K486-F523 HydrophobicContact CG-CE2 4.4Å; I489-F523 HydrophobicContact CD1-CE2 4.14Å; I489-F523 HydrophobicContact CD1-CZ 3.76Å; L521-F523 HydrophobicContact CB-CZ 4.22Å
524K87.8Confident88.6Confident90 Ų9055.5 Ų55.539%0.39125%0.254SS..  trans-138.9155.4175.963.5170-171.5169.50109.5S384 T385 Y453 Q526S384-K524 PolarHBondContact O-N 2.92Å; T385-K524 VanDerWaalsContact O-CE 3.28Å; T385-K524 WeakPolarHBondContact O-CE 2.9Å; Y453-K524 VanDerWaalsContact CD1-O 3.3Å; Y453-K524 WeakPolarHBondContact CD1-O 3.18Å; Y453-K524 WeakPolarHBondContact CE1-O 3.16Å; K524-Q526 PolarHBondContact O-N 3.21Å
525P80.8Confident88.7Confident56 Ų5659.8 Ų59.836%0.36427%0.273SS..  trans-50.2139.8168.4-24.634.5000111
526Q68.4Low88.8Confident66 Ų6662.1 Ų62.131%0.30828%0.281SS..  trans-740180-102.9-174.2-9.600112.7A276 G277 L332 A382 S384 K524A276-Q526 HydrophobicContact CB-CB 3.78Å; A276-Q526 HydrophobicContact CB-CG 4.05Å; G277-Q526 VanDerWaalsContact CA-OE1 3.26Å; L332-Q526 PolarHBondContact O-NE2 3.21Å; A382-Q526 PolarHBondContact O-NE2 2.91Å; A382-Q526 PolarHBondContact O-OE1 2.7Å; S384-Q526 WeakPolarHBondContact OG-CG 3.3Å; K524-Q526 PolarHBondContact O-N 3.21Å

Retrieved 526 of 526 residues in 955.5 ms (Link to these results)

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