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DNA-directed RNA polymerase II subunit RPB3

Core component of RNA polymerase II (Pol II), a DNA-dependent RNA polymerase which synthesizes mRNA precursors and many functional non-coding RNAs using the four ribonucleoside triphosphates as substrates.

AlphaFold DB (A0A4W5MI17), UniProt , Accession A0A060Y0V3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 275 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
1M51.7Low83.3Confident207 Ų207121.5 Ų121.5100%1.0264%0.637SS**  0140.60-67.4-161.5-159.900108.5Y3 A4M1-Y3 PolarHBondContact O-N 3.07Å; M1-Y3 VanDerWaalsContact O-N 3.17Å; M1-A4 PolarHBondContact O-N 3.11Å
2P67.6Low84.3Confident120 Ų120119.4 Ų119.478%0.77963%0.633SS**THydrogen-bonded Turntrans-68.8-8.6-176.126.6-32.7000114.6
3Y76.3Confident85.2Confident203 Ų203117.5 Ų117.580%0.79662%0.618SS**THydrogen-bonded Turntrans-109.67.9-177.2-52-71.6000114.2M1 N5M1-Y3 PolarHBondContact O-N 3.07Å; M1-Y3 VanDerWaalsContact O-N 3.17Å; Y3-N5 PolarHBondContact O-N 3.36Å
4A77.9Confident85.9Confident72 Ų72116.3 Ų116.360%0.59561%0.612SS**  trans-78.3114.4177.500000109.3M1M1-A4 PolarHBondContact O-N 3.11Å
5N81.8Confident86.4Confident106 Ų106112.2 Ų112.257%0.56759%0.594SS**  trans-64.8140.9173.9-62.2-12.7000109.5Y3 P7 N25Y3-N5 PolarHBondContact O-N 3.36Å; N5-P7 WeakPolarHBondContact O-CD 3.3Å; N5-N25 WeakPolarHBondContact CB-O 3.47Å
6Q86.6Confident86.5Confident172 Ų172114.8 Ų114.880%0.80461%0.608SS**  trans-99.1104.1172-68.3-179.56.900107.7
7P92.1Very high86.6Confident74 Ų74115.6 Ų115.648%0.48161%0.607SS.*  trans-69.1148.3-177.429-34.8000110.8N5 I23 E24N5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-I23 HydrophobicContact CB-CG2 4.19Å; P7-E24 VanDerWaalsContact CA-O 3.27Å; P7-E24 WeakPolarHBondContact CA-O 2.96Å
8I94.2Very high87Confident76 Ų76110.7 Ų110.739%0.3958%0.582SS.*EExtended strand (participates in β ladder)trans-110.4135.9178.1-56.2172.4000107.9I23 E24I8-I23 WeakPolarHBondContact O-CA 3.46Å; I8-E24 HydrophobicContact CB-CB 4.43Å; I8-E24 PolarHBondContact N-O 2.76Å; I8-E24 PolarHBondContact O-N 2.84Å
9V95.6Very high87.5Confident91 Ų91105.3 Ų105.355%0.55255%0.554SS**EExtended strand (participates in β ladder)trans-115.2131.9177.9-176.60000109.3F21 V22 I23V9-F21 HydrophobicContact CG1-CD2 4.31Å; V9-V22 WeakPolarHBondContact CA-O 3.42Å; V9-I23 HydrophobicContact CG2-CG1 4.41Å
10K96.1Very high88Confident104 Ų104101.2 Ų101.245%0.45253%0.531SS..EExtended strand (participates in β ladder)trans-125.2122.9173.5-66.5172.1-176.8158.20108.7F21 V22 E24K10-F21 CarbonylContact O-C 3.47Å; K10-F21 WeakPolarHBondContact O-CA 3.46Å; K10-F21 WeakPolarHBondContact O-CB 3.38Å; K10-V22 PolarHBondContact N-O 3.5Å; K10-V22 PolarHBondContact O-N 3.25Å; K10-E24 WeakPolarHBondContact CE-OE2 3.25Å; K10-E24 VanDerWaalsContact NZ-CD 3.33Å; K10-E24 IonicContact NZ-OE1 3.18Å; K10-E24 PolarHBondContact NZ-OE1 2.89Å; K10-E24 IonicContact NZ-OE2 2.74Å; K10-E24 PolarHBondContact NZ-OE2 3.27Å
11I96.9Very high88.5Confident112 Ų11296.9 Ų96.957%0.57451%0.508SS*.EExtended strand (participates in β ladder)trans-87.9125.1175.2-58173000107.5L14 F21I11-L14 HydrophobicContact CG2-CB 4.46Å; I11-F21 HydrophobicContact CG1-CB 4.38Å
12T95.1Very high90.7Very high96 Ų9687.6 Ų87.659%0.58946%0.463SS*.EExtended strand (participates in β ladder)trans-92.7-41.6178.1-52.60000110.6K20T12-K20 PolarHBondContact N-O 2.95Å
13E95.6Very high92Very high94 Ų9482.5 Ų82.544%0.43943%0.429SS..EExtended strand (participates in β ladder)trans-148.5141.7-175.6-169.3179175.900110.2T15 K20E13-T15 HydrophobicContact CG-CG2 4.21Å; E13-K20 HydrophobicContact CB-CB 3.78Å; E13-K20 HydrophobicContact CB-CD 4.47Å; E13-K20 PolarHBondContact N-O 3Å; E13-K20 PolarHBondContact O-N 2.95Å
14L95.1Very high92.9Very high101 Ų10173.8 Ų73.853%0.52940%0.396SS..EExtended strand (participates in β ladder)trans-139.7116.6173.4179.466.1000108.4I11 V19 P241I11-L14 HydrophobicContact CG2-CB 4.46Å; L14-V19 HydrophobicContact CD1-CB 3.97Å; L14-V19 HydrophobicContact CD1-CG2 3.93Å; L14-P241 HydrophobicContact CD1-CG 4.43Å
15T92.8Very high93.6Very high55 Ų5573.5 Ų73.534%0.33738%0.384SS..  trans-121.4177.6172.368.90000109.2E13 E17 N18E13-T15 HydrophobicContact CG-CG2 4.21Å; T15-E17 PolarHBondContact O-N 2.93Å; T15-E17 PolarHBondContact OG1-N 3.47Å; T15-N18 PolarHBondContact N-O 3.04Å; T15-N18 PolarHBondContact OG1-N 2.93Å; T15-N18 PolarHBondContact OG1-O 2.8Å
16D87.9Confident94.2Very high154 Ų15469.2 Ų69.282%0.82436%0.361SS*.SBendtrans-65.5-23.4175.5-67.4-31.3000112.5P241D16-P241 WeakPolarHBondContact O-CD 3.29Å
17E89.2Confident94.6Very high128 Ų12865.4 Ų65.460%0.59835%0.347SS*.SBendtrans-104.9-31.3-176.7-64.5-176.2162.100113.3T15 E234 T235T15-E17 PolarHBondContact O-N 2.93Å; T15-E17 PolarHBondContact OG1-N 3.47Å; E17-E234 CarbonylContact O-C 3.5Å; E17-E234 WeakPolarHBondContact O-CA 3.3Å; E17-T235 VanDerWaalsContact O-CG2 3.26Å; E17-T235 WeakPolarHBondContact O-CG2 3.31Å; E17-T235 PolarHBondContact O-N 3.5Å
18N94Very high94.7Very high28 Ų2864.6 Ų64.615%0.1534%0.338CS..EExtended strand (participates in β ladder)trans-129142.9-169.5-66.768.4000112.1T15 N232 V233T15-N18 PolarHBondContact N-O 3.04Å; T15-N18 PolarHBondContact OG1-N 2.93Å; T15-N18 PolarHBondContact OG1-O 2.8Å; N18-N232 PolarHBondContact ND2-OD1 3.42Å; N18-N232 VanDerWaalsContact ND2-OD1 3.11Å; N18-V233 WeakPolarHBondContact CA-O 3.35Å
19V96.9Very high94.8Very high7 Ų764.5 Ų64.54%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-123.6116.616363.30000109.8L14 F21 V233 P241 V245L14-V19 HydrophobicContact CD1-CB 3.97Å; L14-V19 HydrophobicContact CD1-CG2 3.93Å; V19-F21 HydrophobicContact CG1-CD1 4.38Å; V19-F21 HydrophobicContact CG1-CE1 4.29Å; V19-F21 HydrophobicContact CG2-CD1 4.07Å; V19-V233 HydrophobicContact CG1-CB 3.78Å; V19-V233 HydrophobicContact CG1-CG1 4.49Å; V19-V233 PolarHBondContact N-O 3.31Å; V19-V233 PolarHBondContact O-N 3.28Å; V19-P241 HydrophobicContact CB-CB 3.97Å; V19-P241 HydrophobicContact CG1-CB 3.77Å; V19-V245 HydrophobicContact CG1-CG2 3.92Å
20K97.6Very high94.8Very high24 Ų2463 Ų6310%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-108121.6-179.7-153176.2-173.7174.50109.2T12 E13 E207 Y208 Y231 N232T12-K20 PolarHBondContact N-O 2.95Å; E13-K20 HydrophobicContact CB-CB 3.78Å; E13-K20 HydrophobicContact CB-CD 4.47Å; E13-K20 PolarHBondContact N-O 3Å; E13-K20 PolarHBondContact O-N 2.95Å; K20-E207 WeakPolarHBondContact CE-OE1 3.49Å; K20-E207 IonicContact NZ-OE1 3.41Å; K20-E207 PolarHBondContact NZ-OE1 3.47Å; K20-E207 IonicContact NZ-OE2 3.33Å; K20-E207 PolarHBondContact NZ-OE2 2.84Å; K20-Y208 WeakPolarHBondContact CE-OH 3.37Å; K20-Y231 CarbonylContact C-O 3.56Å; K20-Y231 VanDerWaalsContact CA-O 3.31Å; K20-Y231 WeakPolarHBondContact CA-O 3.3Å; K20-Y231 WeakPolarHBondContact CG-O 3.29Å; K20-N232 HydrophobicContact CG-CB 4.14Å
21F97.4Very high94.8Very high11 Ų1158 Ų585%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-150.8160.4-175.264.4-87.2000112V9 K10 I11 V19 I23 F38 Y231 V233 V245V9-F21 HydrophobicContact CG1-CD2 4.31Å; K10-F21 CarbonylContact O-C 3.47Å; K10-F21 WeakPolarHBondContact O-CA 3.46Å; K10-F21 WeakPolarHBondContact O-CB 3.38Å; I11-F21 HydrophobicContact CG1-CB 4.38Å; V19-F21 HydrophobicContact CG1-CD1 4.38Å; V19-F21 HydrophobicContact CG1-CE1 4.29Å; V19-F21 HydrophobicContact CG2-CD1 4.07Å; F21-I23 HydrophobicContact CD2-CD1 4.46Å; F21-I23 HydrophobicContact CD2-CG1 3.95Å; F21-I23 HydrophobicContact CE2-CD1 3.8Å; F21-I23 HydrophobicContact CE2-CG1 3.8Å; F21-F38 HydrophobicContact CZ-CE2 4.14Å; F21-F38 HydrophobicContact CZ-CZ 4.07Å; F21-Y231 HydrophobicContact CD2-CD2 4.35Å; F21-Y231 HydrophobicContact CD2-CG 4.46Å; F21-Y231 HydrophobicContact CE1-CG 4.36Å; F21-Y231 HydrophobicContact CE2-CD1 4.45Å; F21-Y231 AromaticContact CE2-CD2 3.75Å; F21-Y231 HydrophobicContact CE2-CD2 3.75Å; F21-Y231 HydrophobicContact CE2-CE2 4.5Å; F21-Y231 AromaticContact CE2-CG 3.72Å; F21-Y231 HydrophobicContact CE2-CG 3.72Å; F21-Y231 VanDerWaalsContact CZ-CB 3.49Å; F21-Y231 HydrophobicContact CZ-CD1 4.09Å; F21-Y231 HydrophobicContact CZ-CD2 4.19Å; F21-Y231 AromaticContact CZ-CG 3.68Å; F21-Y231 HydrophobicContact CZ-CG 3.68Å; F21-Y231 PolarHBondContact N-O 2.76Å; F21-Y231 PolarHBondContact O-N 2.89Å; F21-V233 HydrophobicContact CE1-CG2 3.93Å; F21-V233 HydrophobicContact CZ-CG2 4.38Å; F21-V245 HydrophobicContact CE1-CG2 4.09Å; F21-V245 HydrophobicContact CZ-CG2 4.48Å
22V97.4Very high94.7Very high11 Ų1155.9 Ų55.97%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-117.8132.1178.2-172.40000108.8V9 K10 E24 F229 Y230V9-V22 WeakPolarHBondContact CA-O 3.42Å; K10-V22 PolarHBondContact N-O 3.5Å; K10-V22 PolarHBondContact O-N 3.25Å; V22-E24 HydrophobicContact CG1-CG 4Å; V22-F229 CarbonylContact C-O 3.48Å; V22-F229 WeakPolarHBondContact CA-O 3.46Å; V22-Y230 HydrophobicContact CB-CD1 4.5Å; V22-Y230 HydrophobicContact CG1-CD1 4.21Å; V22-Y230 HydrophobicContact CG1-CE1 4.23Å; V22-Y230 HydrophobicContact CG2-CD1 3.54Å; V22-Y230 HydrophobicContact CG2-CE1 3.9Å; V22-Y230 HydrophobicContact CG2-CG 4.47Å
23I96.3Very high94.8Very high14 Ų1453.7 Ų53.77%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-105124.9168.7-57.7175.4000108P7 I8 V9 F21 T26 F229 Y231P7-I23 HydrophobicContact CB-CG2 4.19Å; I8-I23 WeakPolarHBondContact O-CA 3.46Å; V9-I23 HydrophobicContact CG2-CG1 4.41Å; F21-I23 HydrophobicContact CD2-CD1 4.46Å; F21-I23 HydrophobicContact CD2-CG1 3.95Å; F21-I23 HydrophobicContact CE2-CD1 3.8Å; F21-I23 HydrophobicContact CE2-CG1 3.8Å; I23-T26 HydrophobicContact CB-CG2 4.46Å; I23-T26 HydrophobicContact CG2-CG2 3.55Å; I23-F229 PolarHBondContact N-O 2.88Å; I23-F229 PolarHBondContact O-N 3.24Å; I23-Y231 HydrophobicContact CD1-CD2 4.32Å; I23-Y231 HydrophobicContact CD1-CE2 3.89Å; I23-Y231 HydrophobicContact CG1-CD2 4.45Å; I23-Y231 HydrophobicContact CG1-CE2 4.33Å
24E95.1Very high94.8Very high20 Ų2050.1 Ų50.19%0.09328%0.275CS..EExtended strand (participates in β ladder)trans-114.1156.4177.1-55.5-178.8157.200110.2P7 I8 K10 V22 E227 R228P7-E24 VanDerWaalsContact CA-O 3.27Å; P7-E24 WeakPolarHBondContact CA-O 2.96Å; I8-E24 HydrophobicContact CB-CB 4.43Å; I8-E24 PolarHBondContact N-O 2.76Å; I8-E24 PolarHBondContact O-N 2.84Å; K10-E24 WeakPolarHBondContact CE-OE2 3.25Å; K10-E24 VanDerWaalsContact NZ-CD 3.33Å; K10-E24 IonicContact NZ-OE1 3.18Å; K10-E24 PolarHBondContact NZ-OE1 2.89Å; K10-E24 IonicContact NZ-OE2 2.74Å; K10-E24 PolarHBondContact NZ-OE2 3.27Å; V22-E24 HydrophobicContact CG1-CG 4Å; E24-E227 CarbonylContact C-O 3.5Å; E24-E227 VanDerWaalsContact CA-O 3.31Å; E24-E227 WeakPolarHBondContact CA-O 3.49Å; E24-R228 HydrophobicContact CG-CG 4.09Å; E24-R228 IonicContact OE1-CZ 2.72Å; E24-R228 IonicContact OE1-NE 2.86Å; E24-R228 PolarHBondContact OE1-NE 3.4Å; E24-R228 IonicContact OE1-NH2 3.72Å; E24-R228 PolarHBondContact OE1-NH2 2.73Å
25N92.9Very high94.9Very high65 Ų6548.9 Ų48.935%0.34826%0.264SS..SBendtrans59.643.5177.4-57.6-32.8000114.1N5 E227N5-N25 WeakPolarHBondContact CB-O 3.47Å; N25-E227 PolarHBondContact N-O 3.45Å
26T94Very high95Very high16 Ų1653.7 Ų53.710%0.09828%0.276CS..  trans-131.7171.3174.6-158.10000111.7I23 A31 F229I23-T26 HydrophobicContact CB-CG2 4.46Å; I23-T26 HydrophobicContact CG2-CG2 3.55Å; T26-A31 HydrophobicContact CG2-CB 4.4Å; T26-F229 HydrophobicContact CG2-CD2 3.48Å; T26-F229 VanDerWaalsContact CG2-CD2 3.48Å; T26-F229 HydrophobicContact CG2-CE2 3.43Å; T26-F229 VanDerWaalsContact CG2-CE2 3.43Å; T26-F229 WeakPolarHBondContact O-CE2 3.32Å
27D94.1Very high95.4Very high92 Ų9246.7 Ų46.749%0.49224%0.239SC..  trans-89.7147.9176.4-62.3-47.7000111S29 V30 A31D27-S29 PolarHBondContact O-N 3.32Å; D27-S29 VanDerWaalsContact O-N 3.15Å; D27-V30 HydrophobicContact CB-CG2 4.31Å; D27-V30 PolarHBondContact O-N 2.91Å; D27-A31 PolarHBondContact O-N 2.88Å
28L95.4Very high95.8Very high57 Ų5740.7 Ų40.730%0.29821%0.21SC..Hα-helixtrans-56.5-31.8174.1174.761.5000112.4N32 F184 Y186 P226 F229L28-N32 VanDerWaalsContact O-CB 3.28Å; L28-N32 WeakPolarHBondContact O-CB 3.48Å; L28-N32 PolarHBondContact O-N 3.11Å; L28-F184 HydrophobicContact CD1-CE1 4.08Å; L28-F184 HydrophobicContact CD1-CZ 3.75Å; L28-Y186 HydrophobicContact CD1-CD1 4.08Å; L28-Y186 HydrophobicContact CD1-CE1 3.93Å; L28-Y186 HydrophobicContact CD2-CE1 4.48Å; L28-P226 HydrophobicContact CB-CB 4.43Å; L28-F229 HydrophobicContact CB-CE1 3.93Å; L28-F229 HydrophobicContact CB-CZ 4Å; L28-F229 HydrophobicContact CD1-CD1 4.33Å; L28-F229 HydrophobicContact CD1-CE1 3.66Å; L28-F229 HydrophobicContact CG-CE1 4.4Å
29S95.4Very high95.7Very high75 Ų7542.8 Ų42.852%0.52422%0.22SC..Hα-helixtrans-65.3-41.7176.857.90000112.3D27 S33D27-S29 PolarHBondContact O-N 3.32Å; D27-S29 VanDerWaalsContact O-N 3.15Å; S29-S33 VanDerWaalsContact O-CB 3.26Å; S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 3.16Å; S29-S33 PolarHBondContact O-OG 2.79Å
30V94.8Very high95.6Very high59 Ų5943.8 Ų43.836%0.35823%0.228SC..Hα-helixtrans-68.4-48.1176.9175.60000109.6D27 S33 I34D27-V30 HydrophobicContact CB-CG2 4.31Å; D27-V30 PolarHBondContact O-N 2.91Å; V30-S33 PolarHBondContact O-N 3.27Å; V30-I34 HydrophobicContact CG1-CD1 3.86Å; V30-I34 HydrophobicContact CG1-CG1 4.49Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 3.31Å
31A95.9Very high95.5Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-54.5-56.8176.700000111.3T26 D27 S33 I34 R35 F184 F229 Y231T26-A31 HydrophobicContact CG2-CB 4.4Å; D27-A31 PolarHBondContact O-N 2.88Å; A31-S33 VanDerWaalsContact C-N 3.27Å; A31-S33 PolarHBondContact O-N 2.7Å; A31-I34 PolarHBondContact O-N 2.89Å; A31-I34 VanDerWaalsContact O-N 3.16Å; A31-R35 PolarHBondContact O-N 3.21Å; A31-F184 HydrophobicContact CB-CE2 3.98Å; A31-F184 HydrophobicContact CB-CZ 4.23Å; A31-F229 HydrophobicContact CB-CB 4.42Å; A31-F229 HydrophobicContact CB-CD1 3.8Å; A31-F229 HydrophobicContact CB-CD2 4.05Å; A31-F229 HydrophobicContact CB-CE1 4.07Å; A31-F229 HydrophobicContact CB-CE2 4.29Å; A31-F229 HydrophobicContact CB-CG 3.8Å; A31-F229 HydrophobicContact CB-CZ 4.3Å; A31-Y231 WeakPolarHBondContact CA-OH 3.48Å; A31-Y231 VanDerWaalsContact CB-OH 3.24Å; A31-Y231 WeakPolarHBondContact CB-OH 3.46Å; A31-Y231 PolarHBondContact O-OH 2.98Å
32N96.3Very high95.4Very high66 Ų6643.6 Ų43.635%0.35323%0.227SC..Hα-helixtrans-62.1-33.8179-174.741.9000112.9L28 R35 R36L28-N32 VanDerWaalsContact O-CB 3.28Å; L28-N32 WeakPolarHBondContact O-CB 3.48Å; L28-N32 PolarHBondContact O-N 3.11Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.7Å; N32-R36 VanDerWaalsContact O-CG 3.3Å; N32-R36 WeakPolarHBondContact O-CG 3.17Å; N32-R36 PolarHBondContact O-N 2.83Å
33S96.2Very high95.3Very high51 Ų5143.8 Ų43.836%0.35723%0.23SC..Hα-helixtrans-64.6-46.1175.5-630000111.5S29 V30 A31 R35 R36 V37S29-S33 VanDerWaalsContact O-CB 3.26Å; S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 3.16Å; S29-S33 PolarHBondContact O-OG 2.79Å; V30-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact C-N 3.27Å; A31-S33 PolarHBondContact O-N 2.7Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.2Å; S33-R36 PolarHBondContact O-N 2.85Å; S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.39Å; S33-V37 PolarHBondContact O-N 3.24Å
34I96.2Very high95.2Very high18 Ų1843.3 Ų43.39%0.09223%0.228CC..Hα-helixtrans-58.9-46.5175.7-69.5168.3000110.4V30 A31 R36 V37 F38 L249 L252V30-I34 HydrophobicContact CG1-CD1 3.86Å; V30-I34 HydrophobicContact CG1-CG1 4.49Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 3.31Å; A31-I34 PolarHBondContact O-N 2.89Å; A31-I34 VanDerWaalsContact O-N 3.16Å; I34-R36 VanDerWaalsContact C-N 3.29Å; I34-R36 PolarHBondContact O-N 2.89Å; I34-V37 WeakPolarHBondContact O-CB 3.26Å; I34-V37 PolarHBondContact O-N 2.82Å; I34-V37 VanDerWaalsContact O-N 3.08Å; I34-F38 HydrophobicContact CG2-CD1 4.45Å; I34-F38 HydrophobicContact CG2-CD2 4.38Å; I34-F38 HydrophobicContact CG2-CE1 3.65Å; I34-F38 HydrophobicContact CG2-CE2 3.61Å; I34-F38 HydrophobicContact CG2-CZ 3.18Å; I34-F38 WeakPolarHBondContact O-CG 3.38Å; I34-F38 PolarHBondContact O-N 3.4Å; I34-L249 HydrophobicContact CD1-CD2 4.11Å; I34-L249 HydrophobicContact CG1-CD2 4.23Å; I34-L252 HydrophobicContact CG1-CD2 4.11Å
35R96.4Very high95.3Very high75 Ų7542.4 Ų42.428%0.28322%0.224SC..Hα-helixtrans-52.5-46.4174.9-175.5-177.2175.2-94.6-6.8112.4A31 N32 S33 V37 F38 V182 Y231A31-R35 PolarHBondContact O-N 3.21Å; N32-R35 WeakPolarHBondContact O-CB 3.28Å; N32-R35 PolarHBondContact O-N 2.7Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.2Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-F38 WeakPolarHBondContact O-CB 3.47Å; R35-F38 PolarHBondContact O-N 2.84Å; R35-V182 HydrophobicContact CG-CG1 3.82Å; R35-Y231 HydrophobicContact CB-CE1 4.06Å
36R95.8Very high95.5Very high157 Ų15739.5 Ų39.559%0.59221%0.208SC*.Hα-helixtrans-66.9-36.1180-70.3177.469.8-159.21.6112.3N32 S33 I34 M39 S40N32-R36 VanDerWaalsContact O-CG 3.3Å; N32-R36 WeakPolarHBondContact O-CG 3.17Å; N32-R36 PolarHBondContact O-N 2.83Å; S33-R36 PolarHBondContact O-N 2.85Å; I34-R36 VanDerWaalsContact C-N 3.29Å; I34-R36 PolarHBondContact O-N 2.89Å; R36-M39 PolarHBondContact O-N 3.31Å; R36-S40 WeakPolarHBondContact O-CB 3.49Å; R36-S40 PolarHBondContact O-N 3.46Å; R36-S40 VanDerWaalsContact O-N 3.09Å; R36-S40 PolarHBondContact O-OG 3.5Å
37V97.1Very high95.6Very high7 Ų738.8 Ų38.84%0.04220%0.204CC..Hα-helixtrans-65.8-41.1177.7174.70000110.5S33 I34 R35 M39 S40 E41 V42 A248 L252S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.39Å; S33-V37 PolarHBondContact O-N 3.24Å; I34-V37 WeakPolarHBondContact O-CB 3.26Å; I34-V37 PolarHBondContact O-N 2.82Å; I34-V37 VanDerWaalsContact O-N 3.08Å; R35-V37 VanDerWaalsContact C-N 3.34Å; V37-M39 PolarHBondContact O-N 2.78Å; V37-S40 PolarHBondContact O-N 3.35Å; V37-E41 HydrophobicContact CG1-CB 4.06Å; V37-E41 PolarHBondContact O-N 2.9Å; V37-V42 PolarHBondContact O-N 2.87Å; V37-A248 HydrophobicContact CB-CB 4.38Å; V37-A248 HydrophobicContact CG1-CB 3.59Å; V37-A248 WeakPolarHBondContact CG1-O 3.44Å; V37-L252 HydrophobicContact CG2-CB 4.49Å; V37-L252 HydrophobicContact CG2-CD1 4.29Å
38F96.1Very high95.7Very high1 Ų137.5 Ų37.50%0.00420%0.197CC..Hα-helixtrans-51.2-43.7175.2-62.7-32.7000112.4F21 I34 R35 P178 T179 V182 Y231 V233 I244 V245 A248F21-F38 HydrophobicContact CZ-CE2 4.14Å; F21-F38 HydrophobicContact CZ-CZ 4.07Å; I34-F38 HydrophobicContact CG2-CD1 4.45Å; I34-F38 HydrophobicContact CG2-CD2 4.38Å; I34-F38 HydrophobicContact CG2-CE1 3.65Å; I34-F38 HydrophobicContact CG2-CE2 3.61Å; I34-F38 HydrophobicContact CG2-CZ 3.18Å; I34-F38 WeakPolarHBondContact O-CG 3.38Å; I34-F38 PolarHBondContact O-N 3.4Å; R35-F38 WeakPolarHBondContact O-CB 3.47Å; R35-F38 PolarHBondContact O-N 2.84Å; F38-P178 WeakPolarHBondContact O-CG 3.47Å; F38-T179 HydrophobicContact CB-CG2 4.41Å; F38-V182 HydrophobicContact CB-CG2 4.28Å; F38-V182 HydrophobicContact CD2-CG1 4.11Å; F38-Y231 HydrophobicContact CE2-CD1 4.01Å; F38-Y231 HydrophobicContact CE2-CE1 4.06Å; F38-V233 HydrophobicContact CD2-CG2 3.75Å; F38-V233 HydrophobicContact CE2-CG2 3.71Å; F38-V233 HydrophobicContact CG-CG2 4.47Å; F38-V233 HydrophobicContact CZ-CG2 4.42Å; F38-I244 HydrophobicContact CB-CG2 4.48Å; F38-I244 HydrophobicContact CD1-CG2 4.39Å; F38-V245 HydrophobicContact CE1-CB 4.18Å; F38-V245 HydrophobicContact CE1-CG1 4.13Å; F38-V245 HydrophobicContact CE1-CG2 4.05Å; F38-V245 HydrophobicContact CZ-CB 4.49Å; F38-V245 HydrophobicContact CZ-CG1 4.18Å; F38-V245 HydrophobicContact CZ-CG2 4.08Å; F38-A248 HydrophobicContact CD1-CB 3.34Å; F38-A248 HydrophobicContact CE1-CB 3.58Å
39M93.6Very high95.8Very high72 Ų7239.8 Ų39.836%0.35520%0.202SC..Hα-helixtrans-82-35.3-176-59.6174.569.200113.8R36 V37 N177 V182R36-M39 PolarHBondContact O-N 3.31Å; V37-M39 PolarHBondContact O-N 2.78Å; M39-N177 PolarHBondContact O-OD1 2.88Å; M39-V182 HydrophobicContact CG-CG2 3.96Å
40S93.4Very high95.8Very high29 Ų2938 Ų3820%0.20319%0.186CC..Hα-helixtrans-118.2-21.6-160.9650000115.8R36 V37 F169 G170 K171R36-S40 WeakPolarHBondContact O-CB 3.49Å; R36-S40 PolarHBondContact O-N 3.46Å; R36-S40 VanDerWaalsContact O-N 3.09Å; R36-S40 PolarHBondContact O-OG 3.5Å; V37-S40 PolarHBondContact O-N 3.35Å; S40-F169 WeakPolarHBondContact O-CD2 3.47Å; S40-G170 PolarHBondContact O-N 2.87Å; S40-K171 WeakPolarHBondContact O-CB 3.42Å; S40-K171 PolarHBondContact O-N 3.28Å
41E95.2Very high96Very high31 Ų3139 Ų3915%0.14519%0.187CC..THydrogen-bonded Turntrans-123.5-10.6-170.4-58.4-168.5166.600113.9V37 A43 V251 K255V37-E41 HydrophobicContact CG1-CB 4.06Å; V37-E41 PolarHBondContact O-N 2.9Å; E41-A43 PolarHBondContact O-N 2.94Å; E41-V251 HydrophobicContact CB-CG1 3.94Å; E41-K255 IonicContact OE1-NZ 3.8Å; E41-K255 PolarHBondContact OE1-NZ 3.42Å; E41-K255 WeakPolarHBondContact OE2-CD 3.48Å; E41-K255 IonicContact OE2-NZ 2.79Å; E41-K255 PolarHBondContact OE2-NZ 2.92Å
42V95.7Very high96Very high0 Ų041.1 Ų41.10%020%0.198CC..SBendtrans-67.9126.1167174.60000108.7V37 P178 L239 I244 A248V37-V42 PolarHBondContact O-N 2.87Å; V42-P178 HydrophobicContact CB-CG 3.8Å; V42-P178 HydrophobicContact CG1-CB 4.31Å; V42-P178 HydrophobicContact CG1-CG 3.78Å; V42-L239 HydrophobicContact CG1-CD1 3.79Å; V42-I244 HydrophobicContact CG2-CG2 4.28Å; V42-A248 HydrophobicContact CG2-CB 3.57Å
43A95.3Very high96.1Very high15 Ų1541.2 Ų41.212%0.12420%0.198CC..EExtended strand (participates in β ladder)trans-80143.7-178.200000111.2E41 V79 K167 G168E41-A43 PolarHBondContact O-N 2.94Å; A43-V79 HydrophobicContact CB-CG2 3.99Å; A43-K167 HydrophobicContact CB-CG 4.24Å; A43-G168 CarbonylContact C-O 3.51Å; A43-G168 WeakPolarHBondContact CA-O 3.46Å
44T95.6Very high96.1Very high4 Ų439.8 Ų39.83%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-139.7169.7175.9540000110.1K167 G168 W176 P178 L239T44-K167 WeakPolarHBondContact O-CA 3.28Å; T44-G168 PolarHBondContact N-O 3.38Å; T44-G168 PolarHBondContact O-N 3.42Å; T44-W176 WeakPolarHBondContact OG1-CA 3.41Å; T44-W176 WeakPolarHBondContact OG1-CB 3.42Å; T44-W176 PolarHBondContact OG1-O 3.3Å; T44-P178 HydrophobicContact CG2-CB 3.57Å; T44-P178 HydrophobicContact CG2-CG 4.2Å; T44-L239 HydrophobicContact CG2-CD1 3.82Å; T44-L239 HydrophobicContact CG2-CG 4.25Å
45I95.8Very high96.2Very high1 Ų140.9 Ų40.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-105.7124.9173.9-60.9173.3000108L73 V78 V79 M82 V127 A165I45-L73 HydrophobicContact CG2-CD1 4.27Å; I45-V78 HydrophobicContact CD1-CB 4.1Å; I45-V78 HydrophobicContact CD1-CG1 3.9Å; I45-V79 HydrophobicContact CD1-CB 4.45Å; I45-V79 HydrophobicContact CG1-CB 4.39Å; I45-V79 HydrophobicContact CG1-CG2 4.39Å; I45-M82 HydrophobicContact CD1-SD 3.6Å; I45-M82 VanDerWaalsContact CD1-SD 3.6Å; I45-M82 HydrophobicContact CG1-SD 3.81Å; I45-V127 HydrophobicContact CD1-CG2 4.32Å; I45-V127 HydrophobicContact CG2-CG1 4.19Å; I45-A165 HydrophobicContact CG2-CB 3.65Å
46A96.6Very high96.2Very high3 Ų339.8 Ų39.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-140.9159.2174.600000110.3D48 A165 K166 K175 W176A46-D48 PolarHBondContact O-N 3.26Å; A46-A165 CarbonylContact O-C 3.6Å; A46-A165 VanDerWaalsContact O-CA 3.25Å; A46-A165 WeakPolarHBondContact O-CA 3.47Å; A46-K166 PolarHBondContact N-O 2.91Å; A46-K166 PolarHBondContact O-N 3.47Å; A46-K175 HydrophobicContact CB-CB 4.45Å; A46-K175 HydrophobicContact CB-CD 4.31Å; A46-K175 HydrophobicContact CB-CG 3.99Å; A46-W176 HydrophobicContact CB-CG 4.26Å
47I97Very high96.2Very high2 Ų233.2 Ų33.21%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-68.3127.1179.5-61.3175.5000109.6I50 V68 L73 L101 L120 A163 A165 K175I47-I50 HydrophobicContact CG2-CD1 3.82Å; I47-I50 HydrophobicContact CG2-CG1 3.58Å; I47-V68 HydrophobicContact CD1-CG1 3.52Å; I47-V68 HydrophobicContact CG2-CG1 4.19Å; I47-L73 HydrophobicContact CG1-CD1 4.01Å; I47-L101 HydrophobicContact CD1-CD1 4.49Å; I47-L101 HydrophobicContact CG1-CD1 4.34Å; I47-L120 HydrophobicContact CD1-CD2 3.84Å; I47-A163 HydrophobicContact CD1-CB 4.29Å; I47-A163 HydrophobicContact CG2-CB 3.76Å; I47-A165 HydrophobicContact CG1-CB 4.27Å; I47-K175 PolarHBondContact O-NZ 3.07Å
48D96.7Very high96.2Very high65 Ų6538.4 Ų38.435%0.34821%0.209SC..EExtended strand (participates in β ladder)trans-121.2-34.4-176-167.855.7000113.6A46 Y164 K166 K175 W176A46-D48 PolarHBondContact O-N 3.26Å; D48-Y164 PolarHBondContact N-O 2.88Å; D48-K166 HydrophobicContact CB-CB 4.17Å; D48-K166 HydrophobicContact CB-CD 4Å; D48-K166 HydrophobicContact CB-CG 4.1Å; D48-K166 WeakPolarHBondContact OD2-CD 3.3Å; D48-K166 IonicContact OD2-NZ 2.75Å; D48-K166 PolarHBondContact OD2-NZ 2.94Å; D48-K175 IonicContact OD1-NZ 2.84Å; D48-K175 PolarHBondContact OD1-NZ 3.17Å; D48-W176 HydrophobicContact CB-CZ2 4.23Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.42Å
49W96.3Very high96.2Very high104 Ų10440.1 Ų40.139%0.39422%0.218SC..EExtended strand (participates in β ladder)trans-120.9133.9179-161.693.3000110.1Q51 F93 A163 Y164W49-Q51 HydrophobicContact CE3-CB 4.05Å; W49-Q51 HydrophobicContact CH2-CB 3.51Å; W49-Q51 HydrophobicContact CH2-CG 4.29Å; W49-Q51 HydrophobicContact CZ3-CB 3.19Å; W49-Q51 HydrophobicContact CZ3-CG 4.3Å; W49-F93 HydrophobicContact CB-CE1 4.28Å; W49-F93 HydrophobicContact CB-CZ 3.9Å; W49-F93 HydrophobicContact CD2-CE2 4.26Å; W49-F93 AromaticContact CD2-CZ 3.94Å; W49-F93 HydrophobicContact CD2-CZ 3.94Å; W49-F93 HydrophobicContact CE3-CZ 4.47Å; W49-F93 HydrophobicContact CG-CE2 4.48Å; W49-F93 AromaticContact CG-CZ 3.7Å; W49-F93 HydrophobicContact CG-CZ 3.7Å; W49-A163 CarbonylContact O-C 3.49Å; W49-A163 WeakPolarHBondContact O-CA 3.16Å; W49-Y164 HydrophobicContact CD2-CD2 4.35Å; W49-Y164 AromaticContact CE3-CD2 3.56Å; W49-Y164 HydrophobicContact CE3-CD2 3.56Å; W49-Y164 AromaticContact CE3-CE2 3.95Å; W49-Y164 HydrophobicContact CE3-CE2 3.95Å; W49-Y164 AromaticContact CZ3-CD2 3.98Å; W49-Y164 HydrophobicContact CZ3-CD2 3.98Å; W49-Y164 AromaticContact CZ3-CE2 3.87Å; W49-Y164 HydrophobicContact CZ3-CE2 3.87Å; W49-Y164 PolarHBondContact N-O 2.7Å; W49-Y164 PolarHBondContact O-N 3.44Å
50I97.3Very high96.3Very high39 Ų3941.4 Ų41.420%0.222%0.223CC..EExtended strand (participates in β ladder)trans-135.9121.3-177.3-58.6172.6000108.2I47 I52 A65 V68 L161 R162 A163I47-I50 HydrophobicContact CG2-CD1 3.82Å; I47-I50 HydrophobicContact CG2-CG1 3.58Å; I50-I52 HydrophobicContact CG2-CG1 4.18Å; I50-A65 HydrophobicContact CD1-CB 3.9Å; I50-A65 VanDerWaalsContact CD1-O 3.29Å; I50-A65 WeakPolarHBondContact CD1-O 3.4Å; I50-V68 HydrophobicContact CD1-CB 3.85Å; I50-V68 HydrophobicContact CD1-CG1 3.78Å; I50-V68 HydrophobicContact CG1-CG1 4.49Å; I50-L161 HydrophobicContact CG2-CB 4.41Å; I50-L161 HydrophobicContact CG2-CD2 4.37Å; I50-R162 CarbonylContact C-O 3.6Å; I50-R162 WeakPolarHBondContact CA-O 3.42Å; I50-A163 HydrophobicContact CG1-CB 4.23Å
51Q97.2Very high96.5Very high78 Ų7843.7 Ų43.736%0.36423%0.233SC..EExtended strand (participates in β ladder)trans-106.7119.8170.8166.1175.73.300109.1W49 D53 L161 R162W49-Q51 HydrophobicContact CE3-CB 4.05Å; W49-Q51 HydrophobicContact CH2-CB 3.51Å; W49-Q51 HydrophobicContact CH2-CG 4.29Å; W49-Q51 HydrophobicContact CZ3-CB 3.19Å; W49-Q51 HydrophobicContact CZ3-CG 4.3Å; Q51-D53 PolarHBondContact NE2-OD1 2.89Å; Q51-L161 CarbonylContact O-C 3.57Å; Q51-L161 WeakPolarHBondContact O-CA 3.29Å; Q51-L161 VanDerWaalsContact O-CB 3.3Å; Q51-L161 WeakPolarHBondContact O-CB 3.28Å; Q51-R162 PolarHBondContact N-O 3.12Å; Q51-R162 PolarHBondContact O-N 3.39Å
52I97.5Very high96.6Very high45 Ų4548.2 Ų48.223%0.23125%0.254CS..EExtended strand (participates in β ladder)trans-95.9114.9176.1-65170.2000107.4I50 N55 D61 L161I50-I52 HydrophobicContact CG2-CG1 4.18Å; I52-N55 HydrophobicContact CG2-CB 3.72Å; I52-D61 HydrophobicContact CD1-CB 3.59Å; I52-L161 HydrophobicContact CG1-CB 4.16Å
53D97.3Very high96.7Very high69 Ų6952.2 Ų52.237%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-83.7-36.4176-69-29.4000110.6Q51 R160 R162Q51-D53 PolarHBondContact NE2-OD1 2.89Å; D53-R160 HydrophobicContact CB-CB 4.27Å; D53-R160 HydrophobicContact CB-CG 4.14Å; D53-R160 PolarHBondContact N-O 3.09Å; D53-R162 IonicContact OD2-NE 3.27Å
54A97Very high96.7Very high20 Ų2051.6 Ų51.617%0.16527%0.266CS..EExtended strand (participates in β ladder)trans-152.1129.1176.200000110.7L159 R160A54-L159 CarbonylContact O-C 3.58Å; A54-L159 WeakPolarHBondContact O-CA 3.32Å; A54-R160 HydrophobicContact CB-CB 4.25Å; A54-R160 PolarHBondContact N-O 3.33Å; A54-R160 VanDerWaalsContact N-O 3.16Å; A54-R160 PolarHBondContact O-N 2.72Å
55N97.5Very high96.8Very high42 Ų4252.8 Ų52.823%0.22528%0.276CS..EExtended strand (participates in β ladder)trans-133.5110.7168.8-179.115.4000109.7I52 S57 I59 D61 L159I52-N55 HydrophobicContact CG2-CB 3.72Å; N55-S57 WeakPolarHBondContact OD1-CB 3.37Å; N55-S57 PolarHBondContact OD1-N 2.98Å; N55-S57 PolarHBondContact OD1-OG 2.78Å; N55-I59 PolarHBondContact ND2-O 3.21Å; N55-D61 VanDerWaalsContact CB-OD1 3.28Å; N55-D61 WeakPolarHBondContact CB-OD1 3.48Å; N55-D61 PolarHBondContact ND2-OD1 3.37Å; N55-L159 HydrophobicContact CB-CD1 4.1Å
56S96.9Very high96.9Very high52 Ų5258 Ų5836%0.36430%0.3SS..  trans-115.916.4170.556.20000111.9Q157 E158S56-Q157 VanDerWaalsContact O-CG 3.3Å; S56-Q157 WeakPolarHBondContact O-CG 3.48Å; S56-Q157 PolarHBondContact O-NE2 3.45Å; S56-E158 PolarHBondContact N-O 2.94Å; S56-E158 WeakPolarHBondContact OG-CG 3.25Å; S56-E158 PolarHBondContact OG-N 2.81Å; S56-E158 PolarHBondContact OG-O 3.17Å
57S95.8Very high96.8Very high18 Ų1862 Ų6213%0.12632%0.315CS..SBendtrans-69.1172.2173.784.10000111.2N55 I59N55-S57 WeakPolarHBondContact OD1-CB 3.37Å; N55-S57 PolarHBondContact OD1-N 2.98Å; N55-S57 PolarHBondContact OD1-OG 2.78Å; S57-I59 PolarHBondContact O-N 3.4Å; S57-I59 PolarHBondContact OG-N 3.15Å; S57-I59 PolarHBondContact OG-O 3.3Å; S57-I59 VanDerWaalsContact OG-O 3.11Å
58V96Very high96.8Very high116 Ų11662 Ų6270%0.70332%0.315SS*.SBendtrans-78.1-9.1175.4-60.20000113.3
59I96.2Very high96.7Very high38 Ų3859.3 Ų59.320%0.19530%0.302CS..SBendtrans-103.6136.3-174.1-61.2-171.8000108.7N55 S57 F63 I64 V151N55-I59 PolarHBondContact ND2-O 3.21Å; S57-I59 PolarHBondContact O-N 3.4Å; S57-I59 PolarHBondContact OG-N 3.15Å; S57-I59 PolarHBondContact OG-O 3.3Å; S57-I59 VanDerWaalsContact OG-O 3.11Å; I59-F63 HydrophobicContact CD1-CD1 4.32Å; I59-F63 HydrophobicContact CG2-CB 3.46Å; I59-F63 VanDerWaalsContact CG2-CB 3.46Å; I59-F63 HydrophobicContact CG2-CD1 3.47Å; I59-F63 VanDerWaalsContact CG2-CD1 3.47Å; I59-F63 HydrophobicContact CG2-CE1 4.46Å; I59-F63 HydrophobicContact CG2-CG 3.79Å; I59-I64 HydrophobicContact CB-CD1 3.92Å; I59-I64 HydrophobicContact CB-CG1 4.23Å; I59-I64 HydrophobicContact CD1-CD1 4.31Å; I59-I64 HydrophobicContact CG2-CD1 3.71Å; I59-I64 HydrophobicContact CG2-CG1 3.85Å; I59-V151 HydrophobicContact CB-CG2 4.4Å; I59-V151 HydrophobicContact CD1-CB 4.15Å; I59-V151 HydrophobicContact CD1-CG2 3.66Å; I59-V151 HydrophobicContact CG1-CG2 3.94Å
60H96.8Very high96.7Very high98 Ų9858.1 Ų58.145%0.45430%0.303SS..  trans-68.7154.7177.456.9-103.9000112.5E62 F63 I64H60-E62 VanDerWaalsContact C-N 3.35Å; H60-E62 WeakPolarHBondContact CD2-CG 3.46Å; H60-E62 IonicContact CD2-OE1 3.92Å; H60-E62 PolarHBondContact CD2-OE1 2.88Å; H60-E62 IonicContact CD2-OE2 2.76Å; H60-E62 PolarHBondContact CD2-OE2 2.81Å; H60-E62 IonicContact CG-OE1 2.89Å; H60-E62 IonicContact CG-OE2 2.67Å; H60-E62 IonicContact NE2-OE1 3.81Å; H60-E62 PolarHBondContact O-N 3.23Å; H60-F63 PolarHBondContact CD2-N 3.32Å; H60-F63 VanDerWaalsContact CD2-N 3.27Å; H60-F63 WeakPolarHBondContact NE2-CB 3.22Å; H60-F63 AromaticContact NE2-CD2 3.9Å; H60-F63 WeakPolarHBondContact O-CB 3.43Å; H60-F63 PolarHBondContact O-N 3.38Å; H60-F63 VanDerWaalsContact O-N 3.11Å; H60-I64 PolarHBondContact O-N 2.91Å
61D97.4Very high96.6Very high78 Ų7856.4 Ų56.442%0.41730%0.295SS..Hα-helixtrans-54.9-46.6-170.6-70.2-12.5000112.8I52 N55 F63 I64 A65I52-D61 HydrophobicContact CD1-CB 3.59Å; N55-D61 VanDerWaalsContact CB-OD1 3.28Å; N55-D61 WeakPolarHBondContact CB-OD1 3.48Å; N55-D61 PolarHBondContact ND2-OD1 3.37Å; D61-F63 VanDerWaalsContact C-N 3.28Å; D61-F63 PolarHBondContact O-N 2.8Å; D61-I64 PolarHBondContact O-N 3.22Å; D61-A65 WeakPolarHBondContact O-CB 3.32Å; D61-A65 PolarHBondContact O-N 3.49Å
62E97Very high96.4Very high126 Ų12654.2 Ų54.259%0.58929%0.287SS*.Hα-helixtrans-67.4-26.2-177.465.6-80.2-167.700113.2H60 H66H60-E62 VanDerWaalsContact C-N 3.35Å; H60-E62 WeakPolarHBondContact CD2-CG 3.46Å; H60-E62 IonicContact CD2-OE1 3.92Å; H60-E62 PolarHBondContact CD2-OE1 2.88Å; H60-E62 IonicContact CD2-OE2 2.76Å; H60-E62 PolarHBondContact CD2-OE2 2.81Å; H60-E62 IonicContact CG-OE1 2.89Å; H60-E62 IonicContact CG-OE2 2.67Å; H60-E62 IonicContact NE2-OE1 3.81Å; H60-E62 PolarHBondContact O-N 3.23Å; E62-H66 WeakPolarHBondContact O-CB 3.39Å; E62-H66 PolarHBondContact O-N 2.98Å
63F97.2Very high96.2Very high84 Ų8452 Ų5237%0.36828%0.276SS..Hα-helixtrans-75.8-40.4174.3-158.1-97.4000111.4I59 H60 D61 A65 H66 R67I59-F63 HydrophobicContact CD1-CD1 4.32Å; I59-F63 HydrophobicContact CG2-CB 3.46Å; I59-F63 VanDerWaalsContact CG2-CB 3.46Å; I59-F63 HydrophobicContact CG2-CD1 3.47Å; I59-F63 VanDerWaalsContact CG2-CD1 3.47Å; I59-F63 HydrophobicContact CG2-CE1 4.46Å; I59-F63 HydrophobicContact CG2-CG 3.79Å; H60-F63 PolarHBondContact CD2-N 3.32Å; H60-F63 VanDerWaalsContact CD2-N 3.27Å; H60-F63 WeakPolarHBondContact NE2-CB 3.22Å; H60-F63 AromaticContact NE2-CD2 3.9Å; H60-F63 WeakPolarHBondContact O-CB 3.43Å; H60-F63 PolarHBondContact O-N 3.38Å; H60-F63 VanDerWaalsContact O-N 3.11Å; D61-F63 VanDerWaalsContact C-N 3.28Å; D61-F63 PolarHBondContact O-N 2.8Å; F63-A65 VanDerWaalsContact C-N 3.29Å; F63-H66 PolarHBondContact O-N 3.15Å; F63-R67 HydrophobicContact CD1-CG 4.11Å; F63-R67 HydrophobicContact CE1-CG 4.16Å; F63-R67 WeakPolarHBondContact O-CG 3.48Å; F63-R67 PolarHBondContact O-N 3.19Å
64I96.2Very high95.9Very high1 Ų149.4 Ų49.41%0.00526%0.262CS..Hα-helixtrans-61.5-45.8173.1-63.5-61.1000108.7I59 H60 D61 H66 R67 V68 V151 L159 L161I59-I64 HydrophobicContact CB-CD1 3.92Å; I59-I64 HydrophobicContact CB-CG1 4.23Å; I59-I64 HydrophobicContact CD1-CD1 4.31Å; I59-I64 HydrophobicContact CG2-CD1 3.71Å; I59-I64 HydrophobicContact CG2-CG1 3.85Å; H60-I64 PolarHBondContact O-N 2.91Å; D61-I64 PolarHBondContact O-N 3.22Å; I64-H66 VanDerWaalsContact C-N 3.33Å; I64-H66 PolarHBondContact O-N 3.14Å; I64-R67 PolarHBondContact O-N 3.39Å; I64-V68 HydrophobicContact CG2-CG2 4.1Å; I64-V68 WeakPolarHBondContact O-CB 3.46Å; I64-V68 VanDerWaalsContact O-CG2 3.25Å; I64-V68 WeakPolarHBondContact O-CG2 3.28Å; I64-V68 PolarHBondContact O-N 3.49Å; I64-V151 HydrophobicContact CD1-CB 3.85Å; I64-V151 HydrophobicContact CD1-CG1 4.24Å; I64-V151 HydrophobicContact CD1-CG2 4.27Å; I64-L159 HydrophobicContact CG2-CD1 4.42Å; I64-L159 HydrophobicContact CG2-CD2 4.18Å; I64-L161 HydrophobicContact CG2-CD2 3.84Å
65A97Very high95.4Very high30 Ų3048.5 Ų48.525%0.24826%0.255CS..Hα-helixtrans-58.1-44.8176.700000112.2I50 D61 F63 V68 G69I50-A65 HydrophobicContact CD1-CB 3.9Å; I50-A65 VanDerWaalsContact CD1-O 3.29Å; I50-A65 WeakPolarHBondContact CD1-O 3.4Å; D61-A65 WeakPolarHBondContact O-CB 3.32Å; D61-A65 PolarHBondContact O-N 3.49Å; F63-A65 VanDerWaalsContact C-N 3.29Å; A65-V68 PolarHBondContact O-N 3.14Å; A65-G69 PolarHBondContact O-N 3.09Å
66H97.3Very high94.6Very high109 Ų10947.6 Ų47.651%0.50525%0.25SC..Hα-helixtrans-60.8-48175.9175.2-90000112.5E62 F63 I64 G69 L70E62-H66 WeakPolarHBondContact O-CB 3.39Å; E62-H66 PolarHBondContact O-N 2.98Å; F63-H66 PolarHBondContact O-N 3.15Å; I64-H66 VanDerWaalsContact C-N 3.33Å; I64-H66 PolarHBondContact O-N 3.14Å; H66-G69 PolarHBondContact O-N 3.11Å; H66-L70 WeakPolarHBondContact CE1-CD1 3.46Å; H66-L70 WeakPolarHBondContact O-CG 3.49Å; H66-L70 PolarHBondContact O-N 3.18Å
67R95.9Very high93.8Very high89 Ų8949.1 Ų49.134%0.33625%0.254SS..Hα-helixtrans-63.4-45.4179.2-69.8-176.680.693.41.2111.8F63 I64 G69 L70 L149 L150F63-R67 HydrophobicContact CD1-CG 4.11Å; F63-R67 HydrophobicContact CE1-CG 4.16Å; F63-R67 WeakPolarHBondContact O-CG 3.48Å; F63-R67 PolarHBondContact O-N 3.19Å; I64-R67 PolarHBondContact O-N 3.39Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 3.1Å; R67-L70 PolarHBondContact O-N 2.92Å; R67-L149 PolarHBondContact NE-O 2.86Å; R67-L149 PolarHBondContact NH2-O 3.44Å; R67-L150 VanDerWaalsContact CD-O 3.32Å; R67-L150 WeakPolarHBondContact CD-O 3.37Å; R67-L150 PolarHBondContact NE-O 3.09Å; R67-L150 VanDerWaalsContact NE-O 3.12Å
68V95.6Very high93.4Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-64.2-39.1178.8172.60000110.7I47 I50 I64 A65 L70 I71 L150 L161I47-V68 HydrophobicContact CD1-CG1 3.52Å; I47-V68 HydrophobicContact CG2-CG1 4.19Å; I50-V68 HydrophobicContact CD1-CB 3.85Å; I50-V68 HydrophobicContact CD1-CG1 3.78Å; I50-V68 HydrophobicContact CG1-CG1 4.49Å; I64-V68 HydrophobicContact CG2-CG2 4.1Å; I64-V68 WeakPolarHBondContact O-CB 3.46Å; I64-V68 VanDerWaalsContact O-CG2 3.25Å; I64-V68 WeakPolarHBondContact O-CG2 3.28Å; I64-V68 PolarHBondContact O-N 3.49Å; A65-V68 PolarHBondContact O-N 3.14Å; V68-L70 PolarHBondContact O-N 3Å; V68-I71 HydrophobicContact CB-CD1 4.47Å; V68-I71 HydrophobicContact CG1-CD1 4.41Å; V68-I71 WeakPolarHBondContact O-CG1 3.32Å; V68-I71 PolarHBondContact O-N 2.97Å; V68-L150 HydrophobicContact CG2-CD1 4.18Å; V68-L150 HydrophobicContact CG2-CD2 4.44Å; V68-L161 HydrophobicContact CG2-CD2 4.47Å
69G96.1Very high93Very high9 Ų943.7 Ų43.79%0.09322%0.221CC..Hα-helixtrans-61.2-24175.600000114.9A65 H66 R67 K175A65-G69 PolarHBondContact O-N 3.09Å; H66-G69 PolarHBondContact O-N 3.11Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 3.1Å; G69-K175 WeakPolarHBondContact O-CB 3.21Å
70L95.8Very high92.6Very high79 Ų7947.6 Ų47.641%0.41424%0.242SC..THydrogen-bonded Turntrans-97.21.8-179.6-67.8176.6000114H66 R67 V68 P72 K175H66-L70 WeakPolarHBondContact CE1-CD1 3.46Å; H66-L70 WeakPolarHBondContact O-CG 3.49Å; H66-L70 PolarHBondContact O-N 3.18Å; R67-L70 PolarHBondContact O-N 2.92Å; V68-L70 PolarHBondContact O-N 3Å; L70-P72 WeakPolarHBondContact O-CD 3.33Å; L70-K175 HydrophobicContact CD2-CB 3.84Å
71I94.6Very high92.3Very high3 Ų350.3 Ų50.32%0.01525%0.252CS..  trans-69.5122.8174.7-59.1171.4000108.3V68 L120 P129 I148 L150V68-I71 HydrophobicContact CB-CD1 4.47Å; V68-I71 HydrophobicContact CG1-CD1 4.41Å; V68-I71 WeakPolarHBondContact O-CG1 3.32Å; V68-I71 PolarHBondContact O-N 2.97Å; I71-L120 HydrophobicContact CD1-CD2 4.26Å; I71-P129 HydrophobicContact CG2-CB 3.97Å; I71-P129 HydrophobicContact CG2-CG 4.31Å; I71-I148 HydrophobicContact CG2-CD1 4.26Å; I71-L150 HydrophobicContact CD1-CD1 4.05Å; I71-L150 HydrophobicContact CD1-CD2 3.5Å; I71-L150 HydrophobicContact CD1-CG 4.36Å; I71-L150 HydrophobicContact CG1-CD2 3.95Å
72P93.4Very high92Very high32 Ų3247.1 Ų47.121%0.20824%0.235CC..  trans-69.4133.717629.6-33.5000110.1L70 P129 V130 I148 S238L70-P72 WeakPolarHBondContact O-CD 3.33Å; P72-P129 WeakPolarHBondContact O-CA 3.17Å; P72-V130 HydrophobicContact CB-CB 4.43Å; P72-V130 HydrophobicContact CB-CG2 3.83Å; P72-V130 HydrophobicContact CG-CB 4.2Å; P72-V130 HydrophobicContact CG-CG2 4.14Å; P72-V130 PolarHBondContact O-N 2.86Å; P72-V130 VanDerWaalsContact O-N 3.12Å; P72-I148 VanDerWaalsContact CD-CD1 3.49Å; P72-I148 HydrophobicContact CG-CD1 4.21Å; P72-S238 WeakPolarHBondContact CB-OG 3.43Å
73L93.3Very high91.8Very high0 Ų045.5 Ų45.50%023%0.227CC..BIsolated β-bridgetrans-113.8139.6178-61.2178.3000110.2I45 I47 S75 L101 V127 P129 A165 S238I45-L73 HydrophobicContact CG2-CD1 4.27Å; I47-L73 HydrophobicContact CG1-CD1 4.01Å; L73-S75 PolarHBondContact O-N 2.82Å; L73-L101 HydrophobicContact CD1-CD1 4.42Å; L73-L101 HydrophobicContact CD2-CD2 4.12Å; L73-V127 HydrophobicContact CB-CG1 4.24Å; L73-V127 HydrophobicContact CD1-CG1 4.2Å; L73-P129 HydrophobicContact CD2-CG 4.13Å; L73-A165 HydrophobicContact CD1-CB 3.64Å; L73-S238 WeakPolarHBondContact O-CA 3.33Å; L73-S238 VanDerWaalsContact O-CB 3.23Å; L73-S238 WeakPolarHBondContact O-CB 3.5Å; L73-S238 PolarHBondContact O-OG 2.77Å
74T91.6Very high91.6Very high13 Ų1343.8 Ų43.88%0.0822%0.219CC..  trans-62.7127.5171.9-60.70000110.2R126 I128 K133T74-R126 WeakPolarHBondContact CG2-O 3.49Å; T74-I128 PolarHBondContact N-O 2.93Å; T74-I128 PolarHBondContact OG1-O 3.35Å; T74-K133 WeakPolarHBondContact OG1-CE 3.32Å; T74-K133 PolarHBondContact OG1-NZ 3.08Å
75S85.3Confident91.5Very high1 Ų145.9 Ų45.91%0.00723%0.233CC..  trans-134.4-1.5-171.859.50000115.9L73 D77 V78 V79 S238 L239L73-S75 PolarHBondContact O-N 2.82Å; S75-D77 PolarHBondContact O-N 3Å; S75-V78 PolarHBondContact O-N 3.22Å; S75-V79 WeakPolarHBondContact O-CB 3.25Å; S75-V79 WeakPolarHBondContact O-CG1 3.41Å; S75-V79 PolarHBondContact O-N 2.7Å; S75-S238 PolarHBondContact N-O 3.16Å; S75-S238 PolarHBondContact OG-O 3.27Å; S75-L239 WeakPolarHBondContact OG-CD2 3.05Å; S75-L239 WeakPolarHBondContact OG-CG 3.4Å
76D81.5Confident91.3Very high23 Ų2351.1 Ų51.112%0.12325%0.247CC..THydrogen-bonded Turntrans-44.4-62.1-169.5-66.1-64.2000115.3K133 L239 R240D76-K133 IonicContact OD2-NZ 2.87Å; D76-L239 VanDerWaalsContact OD1-CA 3.32Å; D76-L239 WeakPolarHBondContact OD1-CA 3.47Å; D76-R240 PolarHBondContact OD1-N 2.9Å
77D80.8Confident91.1Very high84 Ų8450.9 Ų50.945%0.44925%0.249SC..THydrogen-bonded Turntrans-86.3-15.9-174.6-70.4-22.1000114.4S75 R126S75-D77 PolarHBondContact O-N 3Å; D77-R126 IonicContact OD2-NH1 3.5Å; D77-R126 PolarHBondContact OD2-NH1 3.21Å
78V86.1Confident91Very high18 Ų1847.6 Ų47.611%0.10924%0.239CC..THydrogen-bonded Turntrans-98.9-34.3-165-177.10000110.3I45 S75 D80 K81 M82 R126 V127I45-V78 HydrophobicContact CD1-CB 4.1Å; I45-V78 HydrophobicContact CD1-CG1 3.9Å; S75-V78 PolarHBondContact O-N 3.22Å; V78-D80 VanDerWaalsContact C-N 3.26Å; V78-D80 PolarHBondContact O-N 3Å; V78-K81 PolarHBondContact O-N 2.81Å; V78-K81 VanDerWaalsContact O-N 3.15Å; V78-M82 WeakPolarHBondContact O-CB 3.44Å; V78-M82 PolarHBondContact O-N 3.45Å; V78-R126 HydrophobicContact CG2-CB 4.18Å; V78-V127 HydrophobicContact CB-CG2 3.99Å; V78-V127 HydrophobicContact CG1-CG2 3.91Å; V78-V127 HydrophobicContact CG2-CG2 3.88Å
79V88.9Confident90.9Very high3 Ų354.5 Ų54.52%0.01828%0.282CS..THydrogen-bonded Turntrans-58.6-37.5-175.969.30000112.6A43 I45 S75 K167 L239A43-V79 HydrophobicContact CB-CG2 3.99Å; I45-V79 HydrophobicContact CD1-CB 4.45Å; I45-V79 HydrophobicContact CG1-CB 4.39Å; I45-V79 HydrophobicContact CG1-CG2 4.39Å; S75-V79 WeakPolarHBondContact O-CB 3.25Å; S75-V79 WeakPolarHBondContact O-CG1 3.41Å; S75-V79 PolarHBondContact O-N 2.7Å; V79-K167 HydrophobicContact CG2-CD 4.25Å; V79-K167 HydrophobicContact CG2-CG 4.14Å; V79-K167 WeakPolarHBondContact O-CD 3.49Å; V79-K167 VanDerWaalsContact O-CE 3.28Å; V79-K167 WeakPolarHBondContact O-CE 3.17Å; V79-K167 PolarHBondContact O-NZ 2.55Å; V79-L239 HydrophobicContact CG1-CD2 4.39Å
80D87.3Confident90.7Very high119 Ų11956 Ų5664%0.63629%0.291SS*.THydrogen-bonded Turntrans-73.5-31.3-178.9-74.4-22.7000113.3V78V78-D80 VanDerWaalsContact C-N 3.26Å; V78-D80 PolarHBondContact O-N 3Å
81K89.4Confident90.3Very high156 Ų15660.1 Ų60.168%0.67831%0.313SS*.THydrogen-bonded Turntrans-82-27.4179.6-64.1173.9-174166.40112.3V78V78-K81 PolarHBondContact O-N 2.81Å; V78-K81 VanDerWaalsContact O-N 3.15Å
82M91.6Very high90.1Very high10 Ų1066.1 Ų66.15%0.04935%0.345CS..SBendtrans-74.6132179.9-167.9178.4-171.100110.8I45 V78 E96 C97 A165 K167I45-M82 HydrophobicContact CD1-SD 3.6Å; I45-M82 VanDerWaalsContact CD1-SD 3.6Å; I45-M82 HydrophobicContact CG1-SD 3.81Å; V78-M82 WeakPolarHBondContact O-CB 3.44Å; V78-M82 PolarHBondContact O-N 3.45Å; M82-E96 WeakPolarHBondContact CG-O 3.44Å; M82-C97 WeakPolarHBondContact CE-O 3.42Å; M82-A165 WeakPolarHBondContact CE-O 3.24Å; M82-K167 HydrophobicContact CB-CD 4.43Å; M82-K167 HydrophobicContact CG-CB 4.23Å; M82-K167 WeakPolarHBondContact O-CD 3.42Å; M82-K167 PolarHBondContact O-NZ 3.48Å; M82-K167 HydrophobicContact SD-CB 3.95Å
83Q92.7Very high90Very high92 Ų9267.3 Ų67.343%0.4335%0.347SS..PPolyproline II helixtrans-83.3155.8174.7-64.3-1792.600110.5E96Q83-E96 PolarHBondContact N-O 2.81Å
84Y94.4Very high90Very high48 Ų4868.6 Ų68.619%0.18836%0.356CS..PPolyproline II helixtrans-67.3138.5168.3-70.2-78.2000109.1R86 D87 C88 K167 F169Y84-R86 PolarHBondContact O-N 2.83Å; Y84-D87 PolarHBondContact O-N 2.86Å; Y84-C88 PolarHBondContact O-N 3.34Å; Y84-K167 HydrophobicContact CD1-CB 4.47Å; Y84-K167 HydrophobicContact CD1-CD 4.39Å; Y84-K167 HydrophobicContact CD1-CG 4.1Å; Y84-K167 HydrophobicContact CE1-CD 4.22Å; Y84-K167 HydrophobicContact CE1-CG 3.83Å; Y84-F169 HydrophobicContact CE1-CD1 4.01Å; Y84-F169 HydrophobicContact CE1-CE1 4.25Å
85S92.7Very high89.9Confident45 Ų4574.2 Ų74.232%0.31539%0.392SS..G310 helixtrans-54-39.2-179.254.70000113.4D87 C88S85-D87 VanDerWaalsContact C-N 3.27Å; S85-D87 PolarHBondContact O-N 2.94Å; S85-C88 WeakPolarHBondContact O-CB 3.23Å; S85-C88 PolarHBondContact O-N 3.24Å
86R92.6Very high90.1Very high141 Ų14180.1 Ų80.153%0.53242%0.42SS..G310 helixtrans-66.9-20.6176.663.9-179.2175.1-104-6115.3Y84 E172Y84-R86 PolarHBondContact O-N 2.83Å; R86-E172 IonicContact CZ-OE1 3.74Å; R86-E172 IonicContact NH1-OE1 3.61Å; R86-E172 PolarHBondContact NH1-OE1 3.46Å
87D93.3Very high90.7Very high104 Ų10479.1 Ų79.156%0.55642%0.415SS*.G310 helixtrans-97.7-9.3179.7-58.9-27.3000111.3Y84 S85Y84-D87 PolarHBondContact O-N 2.86Å; S85-D87 VanDerWaalsContact C-N 3.27Å; S85-D87 PolarHBondContact O-N 2.94Å
88C93.3Very high91.4Very high19 Ų1975.5 Ų75.513%0.12840%0.396CS..SBendtrans-80.6149.6179.9-164.40000110.9Y84 S85 C94 C97Y84-C88 PolarHBondContact O-N 3.34Å; S85-C88 WeakPolarHBondContact O-CB 3.23Å; S85-C88 PolarHBondContact O-N 3.24Å; C88-C94 VanDerWaalsContact SG-SG 3.69Å; C88-C97 HydrophobicContact CB-CB 3.82Å
89T93.5Very high91.8Very high146 Ų14675.2 Ų75.290%0.89639%0.394SS*.  trans-87.9-1.3-178.654.70000114.1
90C93.3Very high92.1Very high41 Ų4177.5 Ų77.528%0.27741%0.405SS..SBendtrans-79.5156.317967.60000112.5C94C90-C94 HydrophobicContact CB-CB 4.02Å
91D88Confident92.5Very high165 Ų16571.9 Ų71.988%0.88238%0.375SS*.SBendtrans-71.2-49.4-179.6-64.9-39000113
92D88.6Confident92.9Very high128 Ų12867 Ų6768%0.68436%0.358SS*.SBendtrans-119.7-80.2-176.2-71.9-44.2000112.1
93F92.5Very high93.1Very high58 Ų5866.7 Ų66.725%0.25436%0.356SS..  trans-138.6134.6-173.8-56.9-70.6000109.8W49 S98 Y164 K166W49-F93 HydrophobicContact CB-CE1 4.28Å; W49-F93 HydrophobicContact CB-CZ 3.9Å; W49-F93 HydrophobicContact CD2-CE2 4.26Å; W49-F93 AromaticContact CD2-CZ 3.94Å; W49-F93 HydrophobicContact CD2-CZ 3.94Å; W49-F93 HydrophobicContact CE3-CZ 4.47Å; W49-F93 HydrophobicContact CG-CE2 4.48Å; W49-F93 AromaticContact CG-CZ 3.7Å; W49-F93 HydrophobicContact CG-CZ 3.7Å; F93-S98 WeakPolarHBondContact CB-OG 2.94Å; F93-Y164 HydrophobicContact CB-CD1 4.18Å; F93-Y164 HydrophobicContact CB-CE1 4.23Å; F93-Y164 HydrophobicContact CD1-CD1 4.25Å; F93-Y164 HydrophobicContact CD1-CD2 4.46Å; F93-Y164 AromaticContact CD1-CG 3.99Å; F93-Y164 HydrophobicContact CD1-CG 3.99Å; F93-Y164 HydrophobicContact CD2-CD1 4.38Å; F93-Y164 AromaticContact CD2-CD2 3.98Å; F93-Y164 HydrophobicContact CD2-CD2 3.98Å; F93-Y164 HydrophobicContact CD2-CE1 4.4Å; F93-Y164 AromaticContact CD2-CE2 4Å; F93-Y164 HydrophobicContact CD2-CE2 4Å; F93-Y164 HydrophobicContact CD2-CG 4.19Å; F93-Y164 HydrophobicContact CE1-CD2 4.31Å; F93-Y164 HydrophobicContact CE1-CG 4.11Å; F93-Y164 AromaticContact CE2-CD2 3.84Å; F93-Y164 HydrophobicContact CE2-CD2 3.84Å; F93-Y164 HydrophobicContact CE2-CE2 4.08Å; F93-Y164 HydrophobicContact CE2-CG 4.33Å; F93-Y164 HydrophobicContact CG-CD1 4.02Å; F93-Y164 HydrophobicContact CG-CD2 4.3Å; F93-Y164 HydrophobicContact CG-CE1 4.3Å; F93-Y164 HydrophobicContact CG-CG 4.03Å; F93-Y164 HydrophobicContact CZ-CD2 4.02Å; F93-Y164 HydrophobicContact CZ-CG 4.29Å; F93-K166 VanDerWaalsContact CE1-CE 3.49Å
94C91.9Very high93.3Very high26 Ų2667 Ų6718%0.17636%0.361CS..  trans-134.1165.7172.280.50000110.7C88 C90 E96 C97 S98C88-C94 VanDerWaalsContact SG-SG 3.69Å; C90-C94 HydrophobicContact CB-CB 4.02Å; C94-E96 PolarHBondContact O-N 3.49Å; C94-E96 VanDerWaalsContact O-N 3.14Å; C94-E96 PolarHBondContact SG-N 2.89Å; C94-E96 VanDerWaalsContact SG-N 3.41Å; C94-C97 PolarHBondContact N-SG 3.27Å; C94-C97 VanDerWaalsContact N-SG 3.39Å; C94-C97 PolarHBondContact O-N 3.41Å; C94-C97 PolarHBondContact SG-SG 3Å; C94-S98 PolarHBondContact O-N 3.25Å; C94-S98 PolarHBondContact O-OG 3.14Å
95P90Very high93.4Very high131 Ų13164.8 Ų64.885%0.85135%0.353SS*.THydrogen-bonded Turntrans-62.3-16.6177.9-24.335.6000114.9
96E90.8Very high93.6Very high126 Ų12669.1 Ų69.159%0.58936%0.362SS*.THydrogen-bonded Turntrans-88.6-23.5179.6-58.3-172.917000113.3M82 Q83 C94M82-E96 WeakPolarHBondContact CG-O 3.44Å; Q83-E96 PolarHBondContact N-O 2.81Å; C94-E96 PolarHBondContact O-N 3.49Å; C94-E96 VanDerWaalsContact O-N 3.14Å; C94-E96 PolarHBondContact SG-N 2.89Å; C94-E96 VanDerWaalsContact SG-N 3.41Å
97C93.5Very high93.7Very high1 Ų162.4 Ų62.41%0.00734%0.337CS..THydrogen-bonded Turntrans-118.6-6.2-174.178.30000114.1M82 C88 C94M82-C97 WeakPolarHBondContact CE-O 3.42Å; C88-C97 HydrophobicContact CB-CB 3.82Å; C94-C97 PolarHBondContact N-SG 3.27Å; C94-C97 VanDerWaalsContact N-SG 3.39Å; C94-C97 PolarHBondContact O-N 3.41Å; C94-C97 PolarHBondContact SG-SG 3Å
98S94.9Very high93.8Very high9 Ų962.3 Ų62.36%0.06334%0.34CS..  trans-150.9156-179.366.80000112.9F93 C94 A165F93-S98 WeakPolarHBondContact CB-OG 2.94Å; C94-S98 PolarHBondContact O-N 3.25Å; C94-S98 PolarHBondContact O-OG 3.14Å; S98-A165 VanDerWaalsContact CA-O 3.3Å; S98-A165 WeakPolarHBondContact CA-O 3.25Å
99V95.1Very high93.8Very high11 Ų1167.6 Ų67.67%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-119.9127.5169.4178.10000108.9L101 H124 V127 Y164 A165V99-L101 HydrophobicContact CG1-CD1 4.44Å; V99-H124 HydrophobicContact CG1-CB 3.76Å; V99-H124 HydrophobicContact CG2-CB 4.39Å; V99-V127 HydrophobicContact CB-CG1 4.45Å; V99-V127 HydrophobicContact CG1-CB 4.18Å; V99-V127 HydrophobicContact CG1-CG1 4.19Å; V99-V127 HydrophobicContact CG2-CB 4.42Å; V99-V127 HydrophobicContact CG2-CG1 4.42Å; V99-V127 HydrophobicContact CG2-CG2 4.23Å; V99-Y164 WeakPolarHBondContact O-CA 3.3Å; V99-A165 HydrophobicContact CB-CB 4.44Å; V99-A165 PolarHBondContact N-O 3.03Å; V99-A165 PolarHBondContact O-N 2.93Å
100E95.7Very high93.8Very high52 Ų5266.6 Ų66.624%0.24335%0.352CS..EExtended strand (participates in β ladder)trans-85.9135.1177.4-173.4176.7-172.600111.2T102 N123 A163 Y164E100-T102 HydrophobicContact CG-CG2 4.45Å; E100-N123 HydrophobicContact CB-CB 4.32Å; E100-N123 WeakPolarHBondContact O-CB 3.5Å; E100-N123 PolarHBondContact O-N 2.68Å; E100-A163 CarbonylContact C-O 3.48Å; E100-A163 WeakPolarHBondContact CA-O 3.36Å; E100-Y164 HydrophobicContact CB-CD1 4.05Å; E100-Y164 HydrophobicContact CB-CE1 3.77Å; E100-Y164 HydrophobicContact CG-CD1 4.34Å; E100-Y164 HydrophobicContact CG-CE1 3.8Å
101L95.9Very high93.9Very high0 Ų072 Ų720%037%0.373CS..EExtended strand (participates in β ladder)trans-126.5141171.1-57.395.3000110I47 L73 V99 L120 L121 A163 A165I47-L101 HydrophobicContact CD1-CD1 4.49Å; I47-L101 HydrophobicContact CG1-CD1 4.34Å; L73-L101 HydrophobicContact CD1-CD1 4.42Å; L73-L101 HydrophobicContact CD2-CD2 4.12Å; V99-L101 HydrophobicContact CG1-CD1 4.44Å; L101-L120 HydrophobicContact CB-CD1 3.9Å; L101-L120 HydrophobicContact CB-CD2 4.23Å; L101-L120 HydrophobicContact CB-CG 3.9Å; L101-L120 HydrophobicContact CD2-CD2 3.56Å; L101-L120 HydrophobicContact CD2-CG 3.81Å; L101-L120 HydrophobicContact CG-CD2 4.49Å; L101-L121 CarbonylContact C-O 3.42Å; L101-L121 VanDerWaalsContact CA-O 3.23Å; L101-L121 WeakPolarHBondContact CA-O 3.45Å; L101-A163 HydrophobicContact CB-CB 4.42Å; L101-A163 PolarHBondContact N-O 3.3Å; L101-A163 PolarHBondContact O-N 2.89Å; L101-A165 HydrophobicContact CD1-CB 3.85Å
102T96.8Very high94.2Very high55 Ų5567.7 Ų67.734%0.33735%0.353SS..EExtended strand (participates in β ladder)trans-126.2139.5-177.759.40000110.9E100 L121 R162E100-T102 HydrophobicContact CG-CG2 4.45Å; T102-L121 PolarHBondContact N-O 2.91Å; T102-L121 PolarHBondContact O-N 3Å; T102-R162 HydrophobicContact CG2-CG 4.45Å
103L96.3Very high94.4Very high2 Ų266.4 Ų66.41%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-130.3119.2174.917870.8000108.2V105 V115 D119 L120 L150 L159 R160 L161L103-V105 HydrophobicContact CD1-CG2 3.74Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; L103-V115 HydrophobicContact CD1-CG1 4Å; L103-V115 HydrophobicContact CD2-CG1 4.05Å; L103-D119 HydrophobicContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-CB 3.42Å; L103-D119 WeakPolarHBondContact CD1-O 3.49Å; L103-L120 HydrophobicContact CB-CD1 3.93Å; L103-L150 HydrophobicContact CD2-CD1 4.37Å; L103-L159 HydrophobicContact CD2-CD2 3.74Å; L103-L159 HydrophobicContact CD2-CG 4.26Å; L103-R160 CarbonylContact O-C 3.57Å; L103-R160 VanDerWaalsContact O-CA 3.28Å; L103-R160 WeakPolarHBondContact O-CA 3.35Å; L103-L161 HydrophobicContact CB-CD1 3.72Å; L103-L161 HydrophobicContact CB-CG 3.93Å; L103-L161 HydrophobicContact CD2-CD1 4.29Å; L103-L161 HydrophobicContact CD2-CD2 4.05Å; L103-L161 HydrophobicContact CD2-CG 4.05Å; L103-L161 PolarHBondContact N-O 3.32Å; L103-L161 PolarHBondContact O-N 3.01Å
104D96.8Very high94.5Very high99 Ų9968 Ų6853%0.52935%0.347SS..EExtended strand (participates in β ladder)trans-133.5103174.1-165.4-15.8000109.2R160D104-R160 HydrophobicContact CB-CG 4.23Å; D104-R160 IonicContact OD1-NE 3.43Å; D104-R160 IonicContact OD1-NH2 3.36Å; D104-R160 IonicContact OD2-CZ 3.07Å; D104-R160 IonicContact OD2-NE 3.89Å; D104-R160 PolarHBondContact OD2-NE 3.04Å; D104-R160 IonicContact OD2-NH2 3.61Å
105V96.3Very high94.6Very high2 Ų266.8 Ų66.81%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-133.4131.5-174.9178.60000110.8L103 R113 V115 D119 L153 E158 L159L103-V105 HydrophobicContact CD1-CG2 3.74Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; V105-R113 VanDerWaalsContact CG1-NE 3.33Å; V105-V115 HydrophobicContact CB-CG2 4.32Å; V105-V115 HydrophobicContact CG1-CG2 3.84Å; V105-V115 HydrophobicContact CG2-CG1 4.33Å; V105-D119 HydrophobicContact CG2-CB 3.89Å; V105-L153 HydrophobicContact CG1-CD1 4.03Å; V105-E158 CarbonylContact O-C 3.52Å; V105-E158 VanDerWaalsContact O-CA 3.26Å; V105-E158 WeakPolarHBondContact O-CA 3.3Å; V105-L159 PolarHBondContact N-O 3.41Å; V105-L159 PolarHBondContact O-N 3.29Å
106R96.4Very high94.8Very high135 Ų13561.8 Ų61.851%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-129.1138.5172.3-175.9167.5-176157.7-9.1111.1T108 R113 E158R106-T108 HydrophobicContact CG-CG2 4.33Å; R106-R113 PolarHBondContact O-NH1 3.44Å; R106-R113 VanDerWaalsContact O-NH1 3.09Å; R106-E158 HydrophobicContact CB-CB 3.97Å; R106-E158 WeakPolarHBondContact CD-OE2 3.5Å; R106-E158 HydrophobicContact CG-CB 3.96Å; R106-E158 IonicContact CZ-OE2 3.58Å; R106-E158 IonicContact NE-OE2 2.75Å; R106-E158 IonicContact NH1-OE2 2.75Å; R106-E158 PolarHBondContact NH1-OE2 3.06Å
107C95.6Very high94.8Very high1 Ų155.8 Ų55.81%0.00728%0.278CS..  trans-94.6102.3174.4-175.30000109.6Q111 R113 L153 R154 K155 G156 Q157C107-Q111 PolarHBondContact SG-O 3.22Å; C107-R113 HydrophobicContact CB-CB 4.09Å; C107-L153 HydrophobicContact CB-CB 3.79Å; C107-R154 WeakPolarHBondContact CB-O 3.15Å; C107-K155 PolarHBondContact SG-N 3.22Å; C107-G156 PolarHBondContact O-N 3.32Å; C107-Q157 PolarHBondContact N-O 3.23Å
108T94.6Very high94.5Very high101 Ų10161.3 Ų61.362%0.6230%0.298SS*.  trans-94.6-23.6176.249.40000112.7R106R106-T108 HydrophobicContact CG-CG2 4.33Å
109E93.9Very high94.3Very high130 Ų13062.9 Ų62.961%0.60731%0.306SS*.SBendtrans-79.9158.1-178-62.3176.7-17100111.9Q111 K155E109-Q111 VanDerWaalsContact C-N 3.26Å; E109-K155 VanDerWaalsContact O-CB 3.25Å; E109-K155 WeakPolarHBondContact O-CB 3.43Å
110D93.3Very high94.2Very high126 Ų12662.8 Ų62.867%0.67431%0.305SS*.SBendtrans-74.2-18.1174.6-75.6-64.7000112.9K155D110-K155 HydrophobicContact CB-CD 4.46Å; D110-K155 WeakPolarHBondContact OD1-CD 3.28Å; D110-K155 WeakPolarHBondContact OD1-CE 3.41Å; D110-K155 IonicContact OD1-NZ 2.91Å; D110-K155 PolarHBondContact OD1-NZ 2.88Å; D110-K155 IonicContact OD2-NZ 3.52Å; D110-K155 PolarHBondContact OD2-NZ 2.94Å
111Q94.7Very high94.1Very high153 Ų15365.7 Ų65.772%0.71532%0.322SS*.SBendtrans-79.1151.6174.3-62.8-172.84200111.1C107 E109 R113C107-Q111 PolarHBondContact SG-O 3.22Å; E109-Q111 VanDerWaalsContact C-N 3.26Å; Q111-R113 PolarHBondContact O-N 3.18Å
112T94.2Very high93.9Very high76 Ų7667.3 Ų67.347%0.46633%0.333SS..PPolyproline II helixtrans-72.3119.6178.7-59.90000109.5K152 L153T112-K152 HydrophobicContact CG2-CB 3.84Å; T112-L153 CarbonylContact C-O 3.55Å; T112-L153 WeakPolarHBondContact CA-O 3.46Å; T112-L153 WeakPolarHBondContact CG2-O 3.45Å
113R93.9Very high93.6Very high100 Ų10070.9 Ų70.938%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-83.2131.7175.6-175.6170.8178.7171.7-0.2109.9V105 R106 C107 Q111 D119 K152 L153V105-R113 VanDerWaalsContact CG1-NE 3.33Å; R106-R113 PolarHBondContact O-NH1 3.44Å; R106-R113 VanDerWaalsContact O-NH1 3.09Å; C107-R113 HydrophobicContact CB-CB 4.09Å; Q111-R113 PolarHBondContact O-N 3.18Å; R113-D119 IonicContact NH2-OD1 3.5Å; R113-K152 WeakPolarHBondContact O-CA 2.96Å; R113-L153 PolarHBondContact N-O 3.03Å; R113-L153 PolarHBondContact O-N 3.29Å
114H94.2Very high93.2Very high92 Ų9273.6 Ų73.643%0.42636%0.363SS..EExtended strand (participates in β ladder)trans-93.6122.1172-66.7-6000108.2T116 L149 K152H114-T116 HydrophobicContact CB-CG2 4.41Å; H114-L149 HydrophobicContact CB-CD1 3.69Å; H114-K152 VanDerWaalsContact CE1-CD 3.47Å; H114-K152 WeakPolarHBondContact CE1-CD 3.07Å
115V94.1Very high92.5Very high0 Ų074.1 Ų74.10%037%0.371CS..EExtended strand (participates in β ladder)trans-92119.3173.1-175.70000107.1L103 V105 D119 L150 V151 L153L103-V115 HydrophobicContact CD1-CG1 4Å; L103-V115 HydrophobicContact CD2-CG1 4.05Å; V105-V115 HydrophobicContact CB-CG2 4.32Å; V105-V115 HydrophobicContact CG1-CG2 3.84Å; V105-V115 HydrophobicContact CG2-CG1 4.33Å; V115-D119 WeakPolarHBondContact CA-OD2 3.38Å; V115-D119 HydrophobicContact CG1-CB 4.41Å; V115-L150 HydrophobicContact CG1-CB 4.48Å; V115-L150 HydrophobicContact CG1-CD1 4.47Å; V115-L150 PolarHBondContact O-N 3.08Å; V115-V151 HydrophobicContact CB-CG1 3.82Å; V115-V151 WeakPolarHBondContact CB-O 3.38Å; V115-V151 HydrophobicContact CG1-CG1 4.45Å; V115-V151 HydrophobicContact CG2-CG1 3.82Å; V115-V151 PolarHBondContact N-O 3.2Å; V115-V151 PolarHBondContact O-N 3.46Å; V115-L153 HydrophobicContact CG2-CD1 3.53Å; V115-L153 HydrophobicContact CG2-CG 3.77Å
116T93.2Very high92Very high26 Ų2679.8 Ų79.816%0.1639%0.392CS..EExtended strand (participates in β ladder)trans-121174.1-174.870.90000112.2H114 R118 D119 D147 I148 L149H114-T116 HydrophobicContact CB-CG2 4.41Å; T116-R118 PolarHBondContact O-N 3.29Å; T116-R118 VanDerWaalsContact O-N 3.14Å; T116-R118 PolarHBondContact OG1-N 3.37Å; T116-D119 PolarHBondContact N-OD2 2.77Å; T116-D119 VanDerWaalsContact N-OD2 3.15Å; T116-D119 PolarHBondContact O-N 2.99Å; T116-D119 VanDerWaalsContact O-N 3.09Å; T116-D147 HydrophobicContact CG2-CB 4.26Å; T116-I148 CarbonylContact C-O 3.57Å; T116-I148 WeakPolarHBondContact CA-O 3.43Å; T116-L149 HydrophobicContact CG2-CD1 4.44Å
117S91.2Very high91.7Very high0 Ų073.3 Ų73.30%037%0.368CS..G310 helixtrans-54-28.3174.346.10000113D119 L120 T131 I148S117-D119 VanDerWaalsContact C-N 3.33Å; S117-D119 PolarHBondContact O-N 3.47Å; S117-L120 VanDerWaalsContact O-CB 3.25Å; S117-L120 WeakPolarHBondContact O-CB 3.3Å; S117-L120 PolarHBondContact O-N 3.35Å; S117-T131 PolarHBondContact OG-OG1 3.18Å; S117-I148 PolarHBondContact N-O 3.01Å; S117-I148 PolarHBondContact OG-N 3.26Å
118R87.6Confident91.4Very high118 Ų11875.8 Ų75.845%0.44538%0.381SS..G310 helixtrans-67.3-29.3177.8178.4176.8173177.9-3.2114.2T116 L120 D147T116-R118 PolarHBondContact O-N 3.29Å; T116-R118 VanDerWaalsContact O-N 3.14Å; T116-R118 PolarHBondContact OG1-N 3.37Å; R118-L120 PolarHBondContact O-N 3.46Å; R118-D147 WeakPolarHBondContact CB-OD2 3.04Å
119D91.7Very high91.2Very high42 Ų4271.1 Ų71.123%0.22535%0.352CS..G310 helixtrans-71.6-10.9177.7-67.4-51.5000111.8L103 V105 R113 V115 T116 S117 L121L103-D119 HydrophobicContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-CB 3.42Å; L103-D119 WeakPolarHBondContact CD1-O 3.49Å; V105-D119 HydrophobicContact CG2-CB 3.89Å; R113-D119 IonicContact NH2-OD1 3.5Å; V115-D119 WeakPolarHBondContact CA-OD2 3.38Å; V115-D119 HydrophobicContact CG1-CB 4.41Å; T116-D119 PolarHBondContact N-OD2 2.77Å; T116-D119 VanDerWaalsContact N-OD2 3.15Å; T116-D119 PolarHBondContact O-N 2.99Å; T116-D119 VanDerWaalsContact O-N 3.09Å; S117-D119 VanDerWaalsContact C-N 3.33Å; S117-D119 PolarHBondContact O-N 3.47Å; D119-L121 PolarHBondContact O-N 2.92Å
120L92.6Very high90.5Very high8 Ų866.2 Ų66.24%0.04233%0.331CS..  trans-82107.3178.6-167.466.6000110.5I47 I71 L101 L103 S117 R118 P129I47-L120 HydrophobicContact CD1-CD2 3.84Å; I71-L120 HydrophobicContact CD1-CD2 4.26Å; L101-L120 HydrophobicContact CB-CD1 3.9Å; L101-L120 HydrophobicContact CB-CD2 4.23Å; L101-L120 HydrophobicContact CB-CG 3.9Å; L101-L120 HydrophobicContact CD2-CD2 3.56Å; L101-L120 HydrophobicContact CD2-CG 3.81Å; L101-L120 HydrophobicContact CG-CD2 4.49Å; L103-L120 HydrophobicContact CB-CD1 3.93Å; S117-L120 VanDerWaalsContact O-CB 3.25Å; S117-L120 WeakPolarHBondContact O-CB 3.3Å; S117-L120 PolarHBondContact O-N 3.35Å; R118-L120 PolarHBondContact O-N 3.46Å; L120-P129 HydrophobicContact CD2-CG 4.37Å
121L92.2Very high89.4Confident114 Ų11461.6 Ų61.660%0.59731%0.307SS*.EExtended strand (participates in β ladder)trans-88.6122.1-179.1-58.8176.5000110.1L101 T102 D119L101-L121 CarbonylContact C-O 3.42Å; L101-L121 VanDerWaalsContact CA-O 3.23Å; L101-L121 WeakPolarHBondContact CA-O 3.45Å; T102-L121 PolarHBondContact N-O 2.91Å; T102-L121 PolarHBondContact O-N 3Å; D119-L121 PolarHBondContact O-N 2.92Å
122S92.3Very high87.7Confident33 Ų3356 Ų5623%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-92.4140.8175.6-176.80000111.4H124 V127S122-H124 VanDerWaalsContact C-N 3.25Å; S122-H124 PolarHBondContact OG-N 2.67Å; S122-H124 PolarHBondContact OG-O 3.12Å; S122-H124 VanDerWaalsContact OG-O 3.12Å; S122-V127 WeakPolarHBondContact CB-O 3.35Å; S122-V127 PolarHBondContact OG-O 3.27Å
123N90.4Very high85.9Confident130 Ų13056.6 Ų56.670%0.69528%0.281SS*.SBendtrans-73.2-19.9171.4-165.412.6000112E100E100-N123 HydrophobicContact CB-CB 4.32Å; E100-N123 WeakPolarHBondContact O-CB 3.5Å; E100-N123 PolarHBondContact O-N 2.68Å
124H87.5Confident83.9Confident60 Ų6056.3 Ų56.328%0.27829%0.294SS..SBendtrans-108.7123-179.9-167.8-80.4000111.4V99 S122 R126 V127V99-H124 HydrophobicContact CG1-CB 3.76Å; V99-H124 HydrophobicContact CG2-CB 4.39Å; S122-H124 VanDerWaalsContact C-N 3.25Å; S122-H124 PolarHBondContact OG-N 2.67Å; S122-H124 PolarHBondContact OG-O 3.12Å; S122-H124 VanDerWaalsContact OG-O 3.12Å; H124-R126 PolarHBondContact ND1-N 3.19Å; H124-R126 PolarHBondContact O-N 3.1Å; H124-R126 VanDerWaalsContact O-N 3.1Å; H124-V127 HydrophobicContact CB-CB 4.39Å; H124-V127 PolarHBondContact O-N 3.15Å; H124-V127 VanDerWaalsContact O-N 3.15Å
125P83.3Confident81.9Confident110 Ų11060.1 Ų60.171%0.71431%0.305SS*.THydrogen-bonded Turntrans-66.2-22.6-16925.5-35.2000114.4
126R85.7Confident79.9Confident120 Ų12067.4 Ų67.445%0.45334%0.344SS..THydrogen-bonded Turntrans-96-10.9179.6-67.5-172.3-83.2-169.8-13.5114.9T74 D77 V78 H124T74-R126 WeakPolarHBondContact CG2-O 3.49Å; D77-R126 IonicContact OD2-NH1 3.5Å; D77-R126 PolarHBondContact OD2-NH1 3.21Å; V78-R126 HydrophobicContact CG2-CB 4.18Å; H124-R126 PolarHBondContact ND1-N 3.19Å; H124-R126 PolarHBondContact O-N 3.1Å; H124-R126 VanDerWaalsContact O-N 3.1Å
127V89.5Confident77.8Confident0 Ų073.6 Ų73.60%038%0.376CS..  trans-108.987.9179.9-179.10000107.1I45 L73 V78 V99 S122 H124I45-V127 HydrophobicContact CD1-CG2 4.32Å; I45-V127 HydrophobicContact CG2-CG1 4.19Å; L73-V127 HydrophobicContact CB-CG1 4.24Å; L73-V127 HydrophobicContact CD1-CG1 4.2Å; V78-V127 HydrophobicContact CB-CG2 3.99Å; V78-V127 HydrophobicContact CG1-CG2 3.91Å; V78-V127 HydrophobicContact CG2-CG2 3.88Å; V99-V127 HydrophobicContact CB-CG1 4.45Å; V99-V127 HydrophobicContact CG1-CB 4.18Å; V99-V127 HydrophobicContact CG1-CG1 4.19Å; V99-V127 HydrophobicContact CG2-CB 4.42Å; V99-V127 HydrophobicContact CG2-CG1 4.42Å; V99-V127 HydrophobicContact CG2-CG2 4.23Å; S122-V127 WeakPolarHBondContact CB-O 3.35Å; S122-V127 PolarHBondContact OG-O 3.27Å; H124-V127 HydrophobicContact CB-CB 4.39Å; H124-V127 PolarHBondContact O-N 3.15Å; H124-V127 VanDerWaalsContact O-N 3.15Å
128I89.4Confident75.8Confident53 Ų5378.1 Ų78.127%0.27240%0.4SS..  trans-128.3156.4-177.759.7173.9000109.6T74 V130T74-I128 PolarHBondContact N-O 2.93Å; T74-I128 PolarHBondContact OG1-O 3.35Å; I128-V130 PolarHBondContact O-N 3.12Å
129P89.6Confident74.1Confident2 Ų279 Ų791%0.01342%0.422CS..BIsolated β-bridgetrans-52.8136.2171.1-26.536.4000111.6I71 P72 L73 L120 T131 S132I71-P129 HydrophobicContact CG2-CB 3.97Å; I71-P129 HydrophobicContact CG2-CG 4.31Å; P72-P129 WeakPolarHBondContact O-CA 3.17Å; L73-P129 HydrophobicContact CD2-CG 4.13Å; L120-P129 HydrophobicContact CD2-CG 4.37Å; P129-T131 PolarHBondContact O-N 3.27Å; P129-S132 WeakPolarHBondContact O-CB 3.2Å; P129-S132 PolarHBondContact O-N 3.01Å; P129-S132 VanDerWaalsContact O-N 3.08Å
130V80.2Confident72Confident27 Ų2782.5 Ų82.516%0.16444%0.44CS..G310 helixtrans-57-35.6-174.2173.50000112.4P72 I128 S132 K133 G237P72-V130 HydrophobicContact CB-CB 4.43Å; P72-V130 HydrophobicContact CB-CG2 3.83Å; P72-V130 HydrophobicContact CG-CB 4.2Å; P72-V130 HydrophobicContact CG-CG2 4.14Å; P72-V130 PolarHBondContact O-N 2.86Å; P72-V130 VanDerWaalsContact O-N 3.12Å; I128-V130 PolarHBondContact O-N 3.12Å; V130-S132 PolarHBondContact O-N 3.43Å; V130-K133 WeakPolarHBondContact O-CB 3.26Å; V130-K133 PolarHBondContact O-N 2.85Å; V130-G237 VanDerWaalsContact CG2-C 3.46Å; V130-G237 WeakPolarHBondContact CG2-O 3.18Å
131T70Confident70Confident29 Ų2987 Ų8718%0.17847%0.465CS..G310 helixtrans-60.2-17.7-179.371.10000113.5S117 P129 D146 D147 I148S117-T131 PolarHBondContact OG-OG1 3.18Å; P129-T131 PolarHBondContact O-N 3.27Å; T131-D146 VanDerWaalsContact CB-O 3.27Å; T131-D146 WeakPolarHBondContact CB-O 3.39Å; T131-D146 WeakPolarHBondContact CG2-O 3.09Å; T131-D147 WeakPolarHBondContact CB-OD1 3.23Å; T131-D147 PolarHBondContact OG1-OD1 3.02Å; T131-I148 HydrophobicContact CG2-CD1 4.2Å; T131-I148 HydrophobicContact CG2-CG1 4.06Å
132S59.3Low67.8Low36 Ų3691.8 Ų91.825%0.25248%0.476SS..G310 helixtrans-81.6-12.3177.8-59.80000114.1P129 V130P129-S132 WeakPolarHBondContact O-CB 3.2Å; P129-S132 PolarHBondContact O-N 3.01Å; P129-S132 VanDerWaalsContact O-N 3.08Å; V130-S132 PolarHBondContact O-N 3.43Å
133K55.9Low65.8Low88 Ų8894.3 Ų94.338%0.38349%0.49SS..G310 helixtrans-74.1-33.4-175.7-80.3179161.5172.80114.2T74 D76 V130 R135T74-K133 WeakPolarHBondContact OG1-CE 3.32Å; T74-K133 PolarHBondContact OG1-NZ 3.08Å; D76-K133 IonicContact OD2-NZ 2.87Å; V130-K133 WeakPolarHBondContact O-CB 3.26Å; V130-K133 PolarHBondContact O-N 2.85Å; K133-R135 PolarHBondContact O-N 3.21Å; K133-R135 VanDerWaalsContact O-N 3.07Å
134S52.5Low63.9Low94 Ų9496.3 Ų96.366%0.65750%0.495SS*.G310 helixtrans-72.70.3-171.9-60.20000115.4
135R51.1Low62.4Low172 Ų172101 Ų10165%0.64952%0.517SS*.G310 helixtrans-80.4-18.2-175.9-69.6-170.968-152.2-4.9115K133K133-R135 PolarHBondContact O-N 3.21Å; K133-R135 VanDerWaalsContact O-N 3.07Å
136D52.4Low61.5Low154 Ų154101.5 Ų101.582%0.82451%0.514SS*.G310 helixtrans-87.8-10.3-171.6-72.3-21.5000114
137N49.6Very low61.4Low156 Ų15697.3 Ų97.383%0.83450%0.5SS*.THydrogen-bonded Turntrans-109.3-21.6-169.9-85.5-14.1000117.2
138D48.2Very low61.5Low94 Ų94100 Ų10050%0.50351%0.514SS..  trans-151.9114.5178-155-24.4000114.5N140 D141D138-N140 PolarHBondContact O-N 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.41Å; D138-N140 PolarHBondContact OD1-N 3.28Å; D138-D141 HydrophobicContact CB-CB 4.48Å
139P52.2Low61.6Low138 Ų138100.1 Ų100.190%0.89652%0.515SS*.THydrogen-bonded Turntrans-69.8-9.2173.3-14.528.6000114.6
140N48Very low61.8Low115 Ų115100.1 Ų100.162%0.61552%0.515SS*.THydrogen-bonded Turntrans-108.78.5-172.5-122.54.7000113.5D138 Y142D138-N140 PolarHBondContact O-N 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.41Å; D138-N140 PolarHBondContact OD1-N 3.28Å; N140-Y142 WeakPolarHBondContact O-CD2 3.27Å; N140-Y142 PolarHBondContact O-N 3.1Å; N140-Y142 VanDerWaalsContact O-N 3.1Å
141D50Low62.6Low103 Ų10399 Ų9955%0.55151%0.508SS*.  trans-75.9100.6177.7-153.25.8000109.6D138 V143D138-D141 HydrophobicContact CB-CB 4.48Å; D141-V143 PolarHBondContact O-N 2.76Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.35Å
142Y47.3Very low63.8Low213 Ų213102.7 Ų102.784%0.83552%0.522SS*.  trans-76.99.5174.9-72.6-88.8000112.3N140N140-Y142 WeakPolarHBondContact O-CD2 3.27Å; N140-Y142 PolarHBondContact O-N 3.1Å; N140-Y142 VanDerWaalsContact O-N 3.1Å
143V49.1Very low65.6Low86 Ų86101 Ų10152%0.52151%0.51SS..SBendtrans-68.7132.1175.1178.70000108.5D141 Q145D141-V143 PolarHBondContact O-N 2.76Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.35Å; V143-Q145 PolarHBondContact O-N 2.67Å
144E52.1Low67.5Low173 Ų173105.5 Ų105.581%0.80852%0.524SS*.  trans-44.2139.6175.1-77176.9134.200110.3D146E144-D146 PolarHBondContact O-N 2.73Å
145Q55.3Low69.6Low158 Ų158106.2 Ų106.274%0.73852%0.516SS*.  trans-55.6105.4175.4-74.2169.3-16.200109.2V143 D147V143-Q145 PolarHBondContact O-N 2.67Å; Q145-D147 PolarHBondContact O-N 2.98Å
146D63.8Low71.7Confident121 Ų121100.3 Ų100.365%0.64751%0.508SS*.  trans-69.726.7-179.7-76.9-32.7000113.2T131 E144T131-D146 VanDerWaalsContact CB-O 3.27Å; T131-D146 WeakPolarHBondContact CB-O 3.39Å; T131-D146 WeakPolarHBondContact CG2-O 3.09Å; E144-D146 PolarHBondContact O-N 2.73Å
147D83.8Confident73.9Confident31 Ų3194.5 Ų94.517%0.16648%0.476CS..  trans-74.2133.4175.6-70.8-38.9000110.5T116 R118 T131 Q145 L149T116-D147 HydrophobicContact CG2-CB 4.26Å; R118-D147 WeakPolarHBondContact CB-OD2 3.04Å; T131-D147 WeakPolarHBondContact CB-OD1 3.23Å; T131-D147 PolarHBondContact OG1-OD1 3.02Å; Q145-D147 PolarHBondContact O-N 2.98Å; D147-L149 PolarHBondContact O-N 3.05Å; D147-L149 VanDerWaalsContact O-N 3.14Å
148I91.1Very high76.1Confident56 Ų5688.9 Ų88.929%0.28745%0.445SS..  trans-70.8115.6-177.9-64.5162.7000108.7I71 P72 T116 S117 T131 L150I71-I148 HydrophobicContact CG2-CD1 4.26Å; P72-I148 VanDerWaalsContact CD-CD1 3.49Å; P72-I148 HydrophobicContact CG-CD1 4.21Å; T116-I148 CarbonylContact C-O 3.57Å; T116-I148 WeakPolarHBondContact CA-O 3.43Å; S117-I148 PolarHBondContact N-O 3.01Å; S117-I148 PolarHBondContact OG-N 3.26Å; T131-I148 HydrophobicContact CG2-CD1 4.2Å; T131-I148 HydrophobicContact CG2-CG1 4.06Å; I148-L150 HydrophobicContact CG2-CD2 4.21Å; I148-L150 PolarHBondContact O-N 3.39Å
149L92.9Very high78.5Confident56 Ų5684.4 Ų84.429%0.29342%0.421SS..EExtended strand (participates in β ladder)trans-65.8122.8173-179.170.4000110.4R67 H114 T116 D147 K152R67-L149 PolarHBondContact NE-O 2.86Å; R67-L149 PolarHBondContact NH2-O 3.44Å; H114-L149 HydrophobicContact CB-CD1 3.69Å; T116-L149 HydrophobicContact CG2-CD1 4.44Å; D147-L149 PolarHBondContact O-N 3.05Å; D147-L149 VanDerWaalsContact O-N 3.14Å; L149-K152 HydrophobicContact CD1-CG 4.17Å; L149-K152 HydrophobicContact CD2-CD 4.34Å; L149-K152 VanDerWaalsContact CD2-CE 3.4Å; L149-K152 HydrophobicContact CD2-CG 4.01Å
150L93.9Very high80.6Confident2 Ų281.9 Ų81.91%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-92.8-52176.8-56.2-179.9000111.1R67 V68 I71 L103 V115 I148R67-L150 VanDerWaalsContact CD-O 3.32Å; R67-L150 WeakPolarHBondContact CD-O 3.37Å; R67-L150 PolarHBondContact NE-O 3.09Å; R67-L150 VanDerWaalsContact NE-O 3.12Å; V68-L150 HydrophobicContact CG2-CD1 4.18Å; V68-L150 HydrophobicContact CG2-CD2 4.44Å; I71-L150 HydrophobicContact CD1-CD1 4.05Å; I71-L150 HydrophobicContact CD1-CD2 3.5Å; I71-L150 HydrophobicContact CD1-CG 4.36Å; I71-L150 HydrophobicContact CG1-CD2 3.95Å; L103-L150 HydrophobicContact CD2-CD1 4.37Å; V115-L150 HydrophobicContact CG1-CB 4.48Å; V115-L150 HydrophobicContact CG1-CD1 4.47Å; V115-L150 PolarHBondContact O-N 3.08Å; I148-L150 HydrophobicContact CG2-CD2 4.21Å; I148-L150 PolarHBondContact O-N 3.39Å
151V96.1Very high83Confident3 Ų376.4 Ų76.42%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-156.6153.8179.363.10000110.9I59 I64 V115 L153 L159I59-V151 HydrophobicContact CB-CG2 4.4Å; I59-V151 HydrophobicContact CD1-CB 4.15Å; I59-V151 HydrophobicContact CD1-CG2 3.66Å; I59-V151 HydrophobicContact CG1-CG2 3.94Å; I64-V151 HydrophobicContact CD1-CB 3.85Å; I64-V151 HydrophobicContact CD1-CG1 4.24Å; I64-V151 HydrophobicContact CD1-CG2 4.27Å; V115-V151 HydrophobicContact CB-CG1 3.82Å; V115-V151 WeakPolarHBondContact CB-O 3.38Å; V115-V151 HydrophobicContact CG1-CG1 4.45Å; V115-V151 HydrophobicContact CG2-CG1 3.82Å; V115-V151 PolarHBondContact N-O 3.2Å; V115-V151 PolarHBondContact O-N 3.46Å; V151-L153 HydrophobicContact CG1-CD2 4.1Å; V151-L153 HydrophobicContact CG1-CG 4.35Å; V151-L153 HydrophobicContact CG2-CD2 4.27Å; V151-L159 HydrophobicContact CG1-CD2 3.92Å
152K95.9Very high85.2Confident107 Ų10776.8 Ų76.847%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-102126.3169.9-59.7-170.4175.8-167.80108.8T112 R113 H114 L149T112-K152 HydrophobicContact CG2-CB 3.84Å; R113-K152 WeakPolarHBondContact O-CA 2.96Å; H114-K152 VanDerWaalsContact CE1-CD 3.47Å; H114-K152 WeakPolarHBondContact CE1-CD 3.07Å; L149-K152 HydrophobicContact CD1-CG 4.17Å; L149-K152 HydrophobicContact CD2-CD 4.34Å; L149-K152 VanDerWaalsContact CD2-CE 3.4Å; L149-K152 HydrophobicContact CD2-CG 4.01Å
153L96.4Very high87.6Confident0 Ų066.7 Ų66.70%032%0.318CS..EExtended strand (participates in β ladder)trans-107.1135.1179.6-60.8179.9000110.2V105 C107 T112 R113 V115 V151 Q157V105-L153 HydrophobicContact CG1-CD1 4.03Å; C107-L153 HydrophobicContact CB-CB 3.79Å; T112-L153 CarbonylContact C-O 3.55Å; T112-L153 WeakPolarHBondContact CA-O 3.46Å; T112-L153 WeakPolarHBondContact CG2-O 3.45Å; R113-L153 PolarHBondContact N-O 3.03Å; R113-L153 PolarHBondContact O-N 3.29Å; V115-L153 HydrophobicContact CG2-CD1 3.53Å; V115-L153 HydrophobicContact CG2-CG 3.77Å; V151-L153 HydrophobicContact CG1-CD2 4.1Å; V151-L153 HydrophobicContact CG1-CG 4.35Å; V151-L153 HydrophobicContact CG2-CD2 4.27Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 3.94Å
154R96.3Very high89.9Confident184 Ų18464.3 Ų64.369%0.69430%0.301SS*.  trans-93.7162.6167.6-165.4167-172.9153.32.9110C107 G156 Q157C107-R154 WeakPolarHBondContact CB-O 3.15Å; R154-G156 PolarHBondContact O-N 3.4Å; R154-Q157 WeakPolarHBondContact O-CB 3.2Å; R154-Q157 WeakPolarHBondContact O-CG 3.37Å; R154-Q157 PolarHBondContact O-N 2.98Å
155K96.5Very high92Very high108 Ų10856.1 Ų56.147%0.4726%0.262SS..THydrogen-bonded Turntrans-43.9126.2176.5-170.1169.2-178.9175.60112.4C107 E109 D110C107-K155 PolarHBondContact SG-N 3.22Å; E109-K155 VanDerWaalsContact O-CB 3.25Å; E109-K155 WeakPolarHBondContact O-CB 3.43Å; D110-K155 HydrophobicContact CB-CD 4.46Å; D110-K155 WeakPolarHBondContact OD1-CD 3.28Å; D110-K155 WeakPolarHBondContact OD1-CE 3.41Å; D110-K155 IonicContact OD1-NZ 2.91Å; D110-K155 PolarHBondContact OD1-NZ 2.88Å; D110-K155 IonicContact OD2-NZ 3.52Å; D110-K155 PolarHBondContact OD2-NZ 2.94Å
156G94.9Very high94Very high48 Ų4850.2 Ų50.250%0.49523%0.234SC..THydrogen-bonded Turntrans94.6-13.7179.400000114.8C107 R154C107-G156 PolarHBondContact O-N 3.32Å; R154-G156 PolarHBondContact O-N 3.4Å
157Q97.4Very high95.5Very high33 Ų3345.8 Ų45.815%0.15421%0.209CC..  trans-84.5146176.6-57-174.4-57.600111.8S56 C107 L153 R154S56-Q157 VanDerWaalsContact O-CG 3.3Å; S56-Q157 WeakPolarHBondContact O-CG 3.48Å; S56-Q157 PolarHBondContact O-NE2 3.45Å; C107-Q157 PolarHBondContact N-O 3.23Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 3.94Å; R154-Q157 WeakPolarHBondContact O-CB 3.2Å; R154-Q157 WeakPolarHBondContact O-CG 3.37Å; R154-Q157 PolarHBondContact O-N 2.98Å
158E97.1Very high96.1Very high38 Ų3844.3 Ų44.318%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-138.2151.3176.965.2-178.8-149.400111.7S56 V105 R106S56-E158 PolarHBondContact N-O 2.94Å; S56-E158 WeakPolarHBondContact OG-CG 3.25Å; S56-E158 PolarHBondContact OG-N 2.81Å; S56-E158 PolarHBondContact OG-O 3.17Å; V105-E158 CarbonylContact O-C 3.52Å; V105-E158 VanDerWaalsContact O-CA 3.26Å; V105-E158 WeakPolarHBondContact O-CA 3.3Å; R106-E158 HydrophobicContact CB-CB 3.97Å; R106-E158 WeakPolarHBondContact CD-OE2 3.5Å; R106-E158 HydrophobicContact CG-CB 3.96Å; R106-E158 IonicContact CZ-OE2 3.58Å; R106-E158 IonicContact NE-OE2 2.75Å; R106-E158 IonicContact NH1-OE2 2.75Å; R106-E158 PolarHBondContact NH1-OE2 3.06Å
159L97.4Very high96.3Very high0 Ų043.5 Ų43.50%020%0.196CC..EExtended strand (participates in β ladder)trans-136.2118.8174179.564.2000108.4A54 N55 I64 L103 V105 V151 L161A54-L159 CarbonylContact O-C 3.58Å; A54-L159 WeakPolarHBondContact O-CA 3.32Å; N55-L159 HydrophobicContact CB-CD1 4.1Å; I64-L159 HydrophobicContact CG2-CD1 4.42Å; I64-L159 HydrophobicContact CG2-CD2 4.18Å; L103-L159 HydrophobicContact CD2-CD2 3.74Å; L103-L159 HydrophobicContact CD2-CG 4.26Å; V105-L159 PolarHBondContact N-O 3.41Å; V105-L159 PolarHBondContact O-N 3.29Å; V151-L159 HydrophobicContact CG1-CD2 3.92Å; L159-L161 HydrophobicContact CD1-CD2 4.26Å; L159-L161 HydrophobicContact CD2-CD2 4.33Å; L159-L161 HydrophobicContact CG-CD2 4.32Å
160R97.9Very high96.4Very high84 Ų8441.7 Ų41.732%0.31719%0.19SC..EExtended strand (participates in β ladder)trans-126.5121.4173.5-169.1-176.4-58111.816.1109.7D53 A54 L103 D104D53-R160 HydrophobicContact CB-CB 4.27Å; D53-R160 HydrophobicContact CB-CG 4.14Å; D53-R160 PolarHBondContact N-O 3.09Å; A54-R160 HydrophobicContact CB-CB 4.25Å; A54-R160 PolarHBondContact N-O 3.33Å; A54-R160 VanDerWaalsContact N-O 3.16Å; A54-R160 PolarHBondContact O-N 2.72Å; L103-R160 CarbonylContact O-C 3.57Å; L103-R160 VanDerWaalsContact O-CA 3.28Å; L103-R160 WeakPolarHBondContact O-CA 3.35Å; D104-R160 HydrophobicContact CB-CG 4.23Å; D104-R160 IonicContact OD1-NE 3.43Å; D104-R160 IonicContact OD1-NH2 3.36Å; D104-R160 IonicContact OD2-CZ 3.07Å; D104-R160 IonicContact OD2-NE 3.89Å; D104-R160 PolarHBondContact OD2-NE 3.04Å; D104-R160 IonicContact OD2-NH2 3.61Å
161L97.4Very high96.5Very high1 Ų148.7 Ų48.71%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-145.1156.2177.161.380.1000112.5I50 Q51 I52 I64 V68 L103 L159 A163I50-L161 HydrophobicContact CG2-CB 4.41Å; I50-L161 HydrophobicContact CG2-CD2 4.37Å; Q51-L161 CarbonylContact O-C 3.57Å; Q51-L161 WeakPolarHBondContact O-CA 3.29Å; Q51-L161 VanDerWaalsContact O-CB 3.3Å; Q51-L161 WeakPolarHBondContact O-CB 3.28Å; I52-L161 HydrophobicContact CG1-CB 4.16Å; I64-L161 HydrophobicContact CG2-CD2 3.84Å; V68-L161 HydrophobicContact CG2-CD2 4.47Å; L103-L161 HydrophobicContact CB-CD1 3.72Å; L103-L161 HydrophobicContact CB-CG 3.93Å; L103-L161 HydrophobicContact CD2-CD1 4.29Å; L103-L161 HydrophobicContact CD2-CD2 4.05Å; L103-L161 HydrophobicContact CD2-CG 4.05Å; L103-L161 PolarHBondContact N-O 3.32Å; L103-L161 PolarHBondContact O-N 3.01Å; L159-L161 HydrophobicContact CD1-CD2 4.26Å; L159-L161 HydrophobicContact CD2-CD2 4.33Å; L159-L161 HydrophobicContact CG-CD2 4.32Å; L161-A163 HydrophobicContact CD1-CB 4.43Å
162R97.3Very high96.5Very high111 Ų11152.8 Ų52.842%0.41924%0.24SC..EExtended strand (participates in β ladder)trans-117.8139.4168.3-58.9-173.6-169-165.8-1.3108.7I50 Q51 D53 T102I50-R162 CarbonylContact C-O 3.6Å; I50-R162 WeakPolarHBondContact CA-O 3.42Å; Q51-R162 PolarHBondContact N-O 3.12Å; Q51-R162 PolarHBondContact O-N 3.39Å; D53-R162 IonicContact OD2-NE 3.27Å; T102-R162 HydrophobicContact CG2-CG 4.45Å
163A97Very high96.6Very high0 Ų052 Ų520%024%0.237CC..EExtended strand (participates in β ladder)trans-132.8139.4-176.900000110.4I47 W49 I50 E100 L101 L161I47-A163 HydrophobicContact CD1-CB 4.29Å; I47-A163 HydrophobicContact CG2-CB 3.76Å; W49-A163 CarbonylContact O-C 3.49Å; W49-A163 WeakPolarHBondContact O-CA 3.16Å; I50-A163 HydrophobicContact CG1-CB 4.23Å; E100-A163 CarbonylContact C-O 3.48Å; E100-A163 WeakPolarHBondContact CA-O 3.36Å; L101-A163 HydrophobicContact CB-CB 4.42Å; L101-A163 PolarHBondContact N-O 3.3Å; L101-A163 PolarHBondContact O-N 2.89Å; L161-A163 HydrophobicContact CD1-CB 4.43Å
164Y96.8Very high96.6Very high37 Ų3755.7 Ų55.715%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-113.8120.7172.7-64.1-84000109.5D48 W49 F93 V99 E100D48-Y164 PolarHBondContact N-O 2.88Å; W49-Y164 HydrophobicContact CD2-CD2 4.35Å; W49-Y164 AromaticContact CE3-CD2 3.56Å; W49-Y164 HydrophobicContact CE3-CD2 3.56Å; W49-Y164 AromaticContact CE3-CE2 3.95Å; W49-Y164 HydrophobicContact CE3-CE2 3.95Å; W49-Y164 AromaticContact CZ3-CD2 3.98Å; W49-Y164 HydrophobicContact CZ3-CD2 3.98Å; W49-Y164 AromaticContact CZ3-CE2 3.87Å; W49-Y164 HydrophobicContact CZ3-CE2 3.87Å; W49-Y164 PolarHBondContact N-O 2.7Å; W49-Y164 PolarHBondContact O-N 3.44Å; F93-Y164 HydrophobicContact CB-CD1 4.18Å; F93-Y164 HydrophobicContact CB-CE1 4.23Å; F93-Y164 HydrophobicContact CD1-CD1 4.25Å; F93-Y164 HydrophobicContact CD1-CD2 4.46Å; F93-Y164 AromaticContact CD1-CG 3.99Å; F93-Y164 HydrophobicContact CD1-CG 3.99Å; F93-Y164 HydrophobicContact CD2-CD1 4.38Å; F93-Y164 AromaticContact CD2-CD2 3.98Å; F93-Y164 HydrophobicContact CD2-CD2 3.98Å; F93-Y164 HydrophobicContact CD2-CE1 4.4Å; F93-Y164 AromaticContact CD2-CE2 4Å; F93-Y164 HydrophobicContact CD2-CE2 4Å; F93-Y164 HydrophobicContact CD2-CG 4.19Å; F93-Y164 HydrophobicContact CE1-CD2 4.31Å; F93-Y164 HydrophobicContact CE1-CG 4.11Å; F93-Y164 AromaticContact CE2-CD2 3.84Å; F93-Y164 HydrophobicContact CE2-CD2 3.84Å; F93-Y164 HydrophobicContact CE2-CE2 4.08Å; F93-Y164 HydrophobicContact CE2-CG 4.33Å; F93-Y164 HydrophobicContact CG-CD1 4.02Å; F93-Y164 HydrophobicContact CG-CD2 4.3Å; F93-Y164 HydrophobicContact CG-CE1 4.3Å; F93-Y164 HydrophobicContact CG-CG 4.03Å; F93-Y164 HydrophobicContact CZ-CD2 4.02Å; F93-Y164 HydrophobicContact CZ-CG 4.29Å; V99-Y164 WeakPolarHBondContact O-CA 3.3Å; E100-Y164 HydrophobicContact CB-CD1 4.05Å; E100-Y164 HydrophobicContact CB-CE1 3.77Å; E100-Y164 HydrophobicContact CG-CD1 4.34Å; E100-Y164 HydrophobicContact CG-CE1 3.8Å
165A96.9Very high96.6Very high0 Ų048.9 Ų48.90%024%0.243CC..EExtended strand (participates in β ladder)trans-88.8137.2173.200000110.8I45 A46 I47 L73 M82 S98 V99 L101I45-A165 HydrophobicContact CG2-CB 3.65Å; A46-A165 CarbonylContact O-C 3.6Å; A46-A165 VanDerWaalsContact O-CA 3.25Å; A46-A165 WeakPolarHBondContact O-CA 3.47Å; I47-A165 HydrophobicContact CG1-CB 4.27Å; L73-A165 HydrophobicContact CD1-CB 3.64Å; M82-A165 WeakPolarHBondContact CE-O 3.24Å; S98-A165 VanDerWaalsContact CA-O 3.3Å; S98-A165 WeakPolarHBondContact CA-O 3.25Å; V99-A165 HydrophobicContact CB-CB 4.44Å; V99-A165 PolarHBondContact N-O 3.03Å; V99-A165 PolarHBondContact O-N 2.93Å; L101-A165 HydrophobicContact CD1-CB 3.85Å
166K96.2Very high96.6Very high35 Ų3544.4 Ų44.415%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-126.7152.4-177.9-65.1-176.1-172.71690110.9A46 D48 F93 W176A46-K166 PolarHBondContact N-O 2.91Å; A46-K166 PolarHBondContact O-N 3.47Å; D48-K166 HydrophobicContact CB-CB 4.17Å; D48-K166 HydrophobicContact CB-CD 4Å; D48-K166 HydrophobicContact CB-CG 4.1Å; D48-K166 WeakPolarHBondContact OD2-CD 3.3Å; D48-K166 IonicContact OD2-NZ 2.75Å; D48-K166 PolarHBondContact OD2-NZ 2.94Å; F93-K166 VanDerWaalsContact CE1-CE 3.49Å; K166-W176 PolarHBondContact O-NE1 2.94Å
167K96Very high96.7Very high28 Ų2844.4 Ų44.412%0.12221%0.212CC..EExtended strand (participates in β ladder)trans-69.2125.9167.8-178.1175.7179.11670110.1A43 T44 V79 M82 Y84A43-K167 HydrophobicContact CB-CG 4.24Å; T44-K167 WeakPolarHBondContact O-CA 3.28Å; V79-K167 HydrophobicContact CG2-CD 4.25Å; V79-K167 HydrophobicContact CG2-CG 4.14Å; V79-K167 WeakPolarHBondContact O-CD 3.49Å; V79-K167 VanDerWaalsContact O-CE 3.28Å; V79-K167 WeakPolarHBondContact O-CE 3.17Å; V79-K167 PolarHBondContact O-NZ 2.55Å; M82-K167 HydrophobicContact CB-CD 4.43Å; M82-K167 HydrophobicContact CG-CB 4.23Å; M82-K167 WeakPolarHBondContact O-CD 3.42Å; M82-K167 PolarHBondContact O-NZ 3.48Å; M82-K167 HydrophobicContact SD-CB 3.95Å; Y84-K167 HydrophobicContact CD1-CB 4.47Å; Y84-K167 HydrophobicContact CD1-CD 4.39Å; Y84-K167 HydrophobicContact CD1-CG 4.1Å; Y84-K167 HydrophobicContact CE1-CD 4.22Å; Y84-K167 HydrophobicContact CE1-CG 3.83Å
168G96.2Very high96.5Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-148.4-176.2175.800000110.7A43 T44A43-G168 CarbonylContact C-O 3.51Å; A43-G168 WeakPolarHBondContact CA-O 3.46Å; T44-G168 PolarHBondContact N-O 3.38Å; T44-G168 PolarHBondContact O-N 3.42Å
169F96.1Very high96.5Very high39 Ų3941.3 Ų41.317%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-141.2155.3177.651.6-90.1000110.4S40 Y84 K171 E172 W176S40-F169 WeakPolarHBondContact O-CD2 3.47Å; Y84-F169 HydrophobicContact CE1-CD1 4.01Å; Y84-F169 HydrophobicContact CE1-CE1 4.25Å; F169-K171 HydrophobicContact CD2-CB 3.67Å; F169-K171 HydrophobicContact CE2-CB 3.75Å; F169-K171 HydrophobicContact CE2-CD 4.42Å; F169-K171 PolarHBondContact O-N 2.88Å; F169-E172 HydrophobicContact CD2-CG 4.36Å; F169-E172 HydrophobicContact CE1-CG 4.26Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.35Å; F169-E172 HydrophobicContact CE2-CG 3.82Å; F169-E172 HydrophobicContact CZ-CG 3.76Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.34Å; F169-E172 PolarHBondContact O-N 3.34Å; F169-W176 VanDerWaalsContact C-CB 3.5Å
170G95Very high96.3Very high17 Ų1744.4 Ų44.418%0.17522%0.223CC..THydrogen-bonded Turntrans-58.2-22.3-168.600000116S40 E172 H173S40-G170 PolarHBondContact O-N 2.87Å; G170-E172 VanDerWaalsContact C-N 3.29Å; G170-E172 PolarHBondContact O-N 3.44Å; G170-H173 CarbonylContact O-C 3.57Å
171K96.1Very high96.2Very high149 Ų14941.5 Ų41.565%0.64822%0.219SC*.THydrogen-bonded Turntrans-68.5-24.7175.5-168.4-179-175.3179.80113.4S40 F169S40-K171 WeakPolarHBondContact O-CB 3.42Å; S40-K171 PolarHBondContact O-N 3.28Å; F169-K171 HydrophobicContact CD2-CB 3.67Å; F169-K171 HydrophobicContact CE2-CB 3.75Å; F169-K171 HydrophobicContact CE2-CD 4.42Å; F169-K171 PolarHBondContact O-N 2.88Å
172E95.9Very high96.2Very high90 Ų9042.2 Ų42.242%0.42122%0.224SC..THydrogen-bonded Turntrans-79.8-45.2174.5-70.6178.4178.500111.1R86 F169 G170 W176R86-E172 IonicContact CZ-OE1 3.74Å; R86-E172 IonicContact NH1-OE1 3.61Å; R86-E172 PolarHBondContact NH1-OE1 3.46Å; F169-E172 HydrophobicContact CD2-CG 4.36Å; F169-E172 HydrophobicContact CE1-CG 4.26Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.35Å; F169-E172 HydrophobicContact CE2-CG 3.82Å; F169-E172 HydrophobicContact CZ-CG 3.76Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.34Å; F169-E172 PolarHBondContact O-N 3.34Å; G170-E172 VanDerWaalsContact C-N 3.29Å; G170-E172 PolarHBondContact O-N 3.44Å; E172-W176 HydrophobicContact CB-CE3 4.14Å; E172-W176 HydrophobicContact CB-CZ3 3.94Å
173H97.6Very high96.2Very high90 Ų9040.2 Ų40.242%0.41723%0.227SC..  trans-159.5148.8177.2-169.7-92.7000111.2G170 K175 W176G170-H173 CarbonylContact O-C 3.57Å; H173-K175 HydrophobicContact CB-CG 4.22Å; H173-K175 WeakPolarHBondContact ND1-CB 3.26Å; H173-K175 VanDerWaalsContact ND1-CG 3.28Å; H173-K175 WeakPolarHBondContact ND1-CG 3.32Å; H173-K175 PolarHBondContact ND1-N 3.4Å; H173-K175 VanDerWaalsContact ND1-N 3.15Å; H173-K175 PolarHBondContact O-N 2.87Å; H173-K175 VanDerWaalsContact O-N 3.1Å; H173-W176 HydrophobicContact CB-CE3 3.57Å; H173-W176 HydrophobicContact CB-CZ3 3.5Å; H173-W176 VanDerWaalsContact CB-CZ3 3.5Å; H173-W176 PolarHBondContact O-N 2.93Å; H173-W176 VanDerWaalsContact O-N 3.11Å
174A96.2Very high96.2Very high77 Ų7742.8 Ų42.864%0.63624%0.238SC*.G310 helixtrans-60.1-24.7-177.400000114.4W176 N177A174-W176 PolarHBondContact O-N 3.17Å; A174-W176 VanDerWaalsContact O-N 3.16Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.08Å; A174-N177 PolarHBondContact O-N 2.83Å
175K96.4Very high96.2Very high42 Ų4243.7 Ų43.718%0.18324%0.244CC..G310 helixtrans-59.8-22.1176.475.3-172.5175.1178.20114A46 I47 D48 G69 L70 H173A46-K175 HydrophobicContact CB-CB 4.45Å; A46-K175 HydrophobicContact CB-CD 4.31Å; A46-K175 HydrophobicContact CB-CG 3.99Å; I47-K175 PolarHBondContact O-NZ 3.07Å; D48-K175 IonicContact OD1-NZ 2.84Å; D48-K175 PolarHBondContact OD1-NZ 3.17Å; G69-K175 WeakPolarHBondContact O-CB 3.21Å; L70-K175 HydrophobicContact CD2-CB 3.84Å; H173-K175 HydrophobicContact CB-CG 4.22Å; H173-K175 WeakPolarHBondContact ND1-CB 3.26Å; H173-K175 VanDerWaalsContact ND1-CG 3.28Å; H173-K175 WeakPolarHBondContact ND1-CG 3.32Å; H173-K175 PolarHBondContact ND1-N 3.4Å; H173-K175 VanDerWaalsContact ND1-N 3.15Å; H173-K175 PolarHBondContact O-N 2.87Å; H173-K175 VanDerWaalsContact O-N 3.1Å
176W96.9Very high96.3Very high14 Ų1446.7 Ų46.75%0.05326%0.256CS..G310 helixtrans-96.513.1176.7-70-69.9000113.2T44 A46 D48 K166 F169 E172 H173 A174 P178T44-W176 WeakPolarHBondContact OG1-CA 3.41Å; T44-W176 WeakPolarHBondContact OG1-CB 3.42Å; T44-W176 PolarHBondContact OG1-O 3.3Å; A46-W176 HydrophobicContact CB-CG 4.26Å; D48-W176 HydrophobicContact CB-CZ2 4.23Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.42Å; K166-W176 PolarHBondContact O-NE1 2.94Å; F169-W176 VanDerWaalsContact C-CB 3.5Å; E172-W176 HydrophobicContact CB-CE3 4.14Å; E172-W176 HydrophobicContact CB-CZ3 3.94Å; H173-W176 HydrophobicContact CB-CE3 3.57Å; H173-W176 HydrophobicContact CB-CZ3 3.5Å; H173-W176 VanDerWaalsContact CB-CZ3 3.5Å; H173-W176 PolarHBondContact O-N 2.93Å; H173-W176 VanDerWaalsContact O-N 3.11Å; A174-W176 PolarHBondContact O-N 3.17Å; A174-W176 VanDerWaalsContact O-N 3.16Å; W176-P178 VanDerWaalsContact O-CD 3.26Å; W176-P178 WeakPolarHBondContact O-CD 3.39Å
177N96.3Very high96.3Very high48 Ų4846.7 Ų46.726%0.25726%0.257SS..  trans-73.4116.9173.7-175.22.2000109.6M39 A174 T179 C236M39-N177 PolarHBondContact O-OD1 2.88Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.08Å; A174-N177 PolarHBondContact O-N 2.83Å; N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact ND2-O 3.45Å; N177-T179 PolarHBondContact O-N 2.8Å; N177-T179 PolarHBondContact OD1-N 2.85Å; N177-T179 PolarHBondContact OD1-O 3.24Å; N177-T179 PolarHBondContact OD1-OG1 3.08Å; N177-C236 PolarHBondContact O-SG 2.69Å; N177-C236 VanDerWaalsContact O-SG 3.37Å
178P94.9Very high96.3Very high0 Ų046.8 Ų46.80%026%0.26CS..  trans-78.2-11.4178.429.2-30.8000113.6F38 V42 T44 W176 T235 C236 L239 I244F38-P178 WeakPolarHBondContact O-CG 3.47Å; V42-P178 HydrophobicContact CB-CG 3.8Å; V42-P178 HydrophobicContact CG1-CB 4.31Å; V42-P178 HydrophobicContact CG1-CG 3.78Å; T44-P178 HydrophobicContact CG2-CB 3.57Å; T44-P178 HydrophobicContact CG2-CG 4.2Å; W176-P178 VanDerWaalsContact O-CD 3.26Å; W176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-T235 PolarHBondContact O-OG1 3.27Å; P178-C236 VanDerWaalsContact C-SG 3.51Å; P178-C236 PolarHBondContact O-N 3.3Å; P178-C236 PolarHBondContact O-SG 2.8Å; P178-L239 HydrophobicContact CB-CD1 4.03Å; P178-I244 HydrophobicContact CB-CD1 3.94Å; P178-I244 HydrophobicContact CB-CG1 4.06Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 WeakPolarHBondContact O-CD1 3.02Å
179T95.6Very high96.2Very high6 Ų647.9 Ų47.94%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-105.5139.3-175.4600000111F38 N177 V182 V233 E234 I244F38-T179 HydrophobicContact CB-CG2 4.41Å; N177-T179 VanDerWaalsContact C-N 3.26Å; N177-T179 PolarHBondContact ND2-O 3.45Å; N177-T179 PolarHBondContact O-N 2.8Å; N177-T179 PolarHBondContact OD1-N 2.85Å; N177-T179 PolarHBondContact OD1-O 3.24Å; N177-T179 PolarHBondContact OD1-OG1 3.08Å; T179-V182 HydrophobicContact CG2-CG2 3.82Å; T179-V233 HydrophobicContact CG2-CG1 3.97Å; T179-E234 CarbonylContact C-O 3.59Å; T179-E234 VanDerWaalsContact CA-O 3.26Å; T179-E234 WeakPolarHBondContact CA-O 3.26Å; T179-I244 HydrophobicContact CG2-CD1 4.28Å; T179-I244 HydrophobicContact CG2-CG2 4.07Å
180A94.5Very high96.2Very high64 Ų6446.3 Ų46.353%0.52926%0.26SS..EExtended strand (participates in β ladder)trans-76.5-47164.300000109.6E234A180-E234 HydrophobicContact CB-CB 4.36Å; A180-E234 HydrophobicContact CB-CG 3.98Å; A180-E234 PolarHBondContact N-O 3.25Å
181G95.1Very high96.2Very high23 Ų2346.5 Ų46.524%0.23726%0.26CS..EExtended strand (participates in β ladder)trans-151.3151.1179.500000112E234G181-E234 PolarHBondContact O-N 3.08Å
182V97.3Very high96.2Very high17 Ų1740.7 Ų40.710%0.10324%0.236CC..EExtended strand (participates in β ladder)trans-130.696.7170.4-175.10000108.7R35 F38 M39 T179 Y231 N232 V233R35-V182 HydrophobicContact CG-CG1 3.82Å; F38-V182 HydrophobicContact CB-CG2 4.28Å; F38-V182 HydrophobicContact CD2-CG1 4.11Å; M39-V182 HydrophobicContact CG-CG2 3.96Å; T179-V182 HydrophobicContact CG2-CG2 3.82Å; V182-Y231 HydrophobicContact CG1-CD1 4.45Å; V182-N232 CarbonylContact C-O 3.56Å; V182-N232 WeakPolarHBondContact CA-O 3.34Å; V182-V233 HydrophobicContact CG1-CG2 4.16Å
183S97.2Very high96.2Very high68 Ų6840 Ų4048%0.47623%0.229SC..EExtended strand (participates in β ladder)trans-72.3136.8172.4-50.50000109.2Y231 N232S183-Y231 WeakPolarHBondContact O-CA 3.35Å; S183-N232 PolarHBondContact N-O 3.49Å; S183-N232 PolarHBondContact O-N 3.01Å; S183-N232 VanDerWaalsContact O-N 3.14Å
184F97.5Very high96.1Very high54 Ų5440.8 Ų40.824%0.23723%0.233CC..EExtended strand (participates in β ladder)trans-145.8121.6-177.1174.5-100.8000109.1L28 A31 Y186 F229 Y230 Y231L28-F184 HydrophobicContact CD1-CE1 4.08Å; L28-F184 HydrophobicContact CD1-CZ 3.75Å; A31-F184 HydrophobicContact CB-CE2 3.98Å; A31-F184 HydrophobicContact CB-CZ 4.23Å; F184-Y186 AromaticContact CE1-CD1 3.79Å; F184-Y186 HydrophobicContact CE1-CD1 3.79Å; F184-Y186 HydrophobicContact CE1-CE1 4.2Å; F184-Y186 HydrophobicContact CZ-CD1 4.07Å; F184-F229 HydrophobicContact CE2-CB 4.15Å; F184-F229 AromaticContact CE2-CD1 3.89Å; F184-F229 HydrophobicContact CE2-CD1 3.89Å; F184-F229 HydrophobicContact CE2-CG 4.38Å; F184-F229 AromaticContact CZ-CD1 3.72Å; F184-F229 HydrophobicContact CZ-CD1 3.72Å; F184-F229 HydrophobicContact CZ-CE1 4.37Å; F184-Y230 WeakPolarHBondContact CA-O 3.43Å; F184-Y231 HydrophobicContact CD2-CD1 4.22Å; F184-Y231 AromaticContact CD2-CE1 3.62Å; F184-Y231 HydrophobicContact CD2-CE1 3.62Å; F184-Y231 AromaticContact CD2-CE2 3.94Å; F184-Y231 HydrophobicContact CD2-CE2 3.94Å; F184-Y231 AromaticContact CD2-CZ 3.45Å; F184-Y231 VanDerWaalsContact CD2-CZ 3.45Å; F184-Y231 HydrophobicContact CE2-CE1 4.18Å; F184-Y231 AromaticContact CE2-CE2 3.93Å; F184-Y231 HydrophobicContact CE2-CE2 3.93Å; F184-Y231 AromaticContact CE2-CZ 3.55Å; F184-Y231 VanDerWaalsContact CE2-OH 3.27Å; F184-Y231 WeakPolarHBondContact CE2-OH 3.37Å
185E97.4Very high96.1Very high57 Ų5740.1 Ų40.127%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-141.2149-178.6-171.3172.5166.600110.1P188 S206 Y208 Y230E185-P188 WeakPolarHBondContact OE1-CB 3.17Å; E185-S206 VanDerWaalsContact CD-OG 3.27Å; E185-S206 WeakPolarHBondContact OE1-CB 3.35Å; E185-S206 PolarHBondContact OE1-OG 2.9Å; E185-S206 PolarHBondContact OE2-OG 3.26Å; E185-Y208 HydrophobicContact CB-CD2 4.48Å; E185-Y208 HydrophobicContact CG-CD2 4.5Å; E185-Y208 VanDerWaalsContact OE2-CD2 3.29Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.26Å; E185-Y230 PolarHBondContact N-O 3.2Å; E185-Y230 PolarHBondContact O-N 3.19Å
186Y97.3Very high96Very high63 Ų6344 Ų4425%0.24725%0.248CC..EExtended strand (participates in β ladder)trans-153.1154.1172.271.3-85.2000108.3L28 F184 H194 P226 R228 F229L28-Y186 HydrophobicContact CD1-CD1 4.08Å; L28-Y186 HydrophobicContact CD1-CE1 3.93Å; L28-Y186 HydrophobicContact CD2-CE1 4.48Å; F184-Y186 AromaticContact CE1-CD1 3.79Å; F184-Y186 HydrophobicContact CE1-CD1 3.79Å; F184-Y186 HydrophobicContact CE1-CE1 4.2Å; F184-Y186 HydrophobicContact CZ-CD1 4.07Å; Y186-H194 AromaticContact CE2-CE1 3.87Å; Y186-H194 AromaticContact CE2-ND1 3.29Å; Y186-H194 VanDerWaalsContact CE2-ND1 3.29Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.44Å; Y186-H194 AromaticContact CZ-ND1 3.55Å; Y186-H194 PolarHBondContact OH-ND1 3.05Å; Y186-P226 HydrophobicContact CD2-CB 4.07Å; Y186-P226 HydrophobicContact CE2-CB 4.36Å; Y186-P226 HydrophobicContact CE2-CG 4.41Å; Y186-R228 WeakPolarHBondContact CB-O 3.2Å; Y186-F229 HydrophobicContact CD1-CD1 4.49Å; Y186-F229 HydrophobicContact CG-CD1 4.14Å; Y186-F229 HydrophobicContact CG-CE1 4.09Å
187D96.2Very high95.9Very high34 Ų3446.3 Ų46.318%0.18226%0.257CS..  trans49.159.4-177.3-172.132.4000113.1D189 N190 A191 L192D187-D189 PolarHBondContact O-N 2.95Å; D187-D189 VanDerWaalsContact O-N 3.16Å; D187-N190 PolarHBondContact O-N 3.34Å; D187-N190 PolarHBondContact OD1-N 3.07Å; D187-N190 VanDerWaalsContact OD2-CA 3.3Å; D187-N190 WeakPolarHBondContact OD2-CA 3.45Å; D187-A191 VanDerWaalsContact CG-N 3.35Å; D187-A191 WeakPolarHBondContact OD1-CB 3.48Å; D187-A191 PolarHBondContact OD1-N 3.33Å; D187-A191 PolarHBondContact OD2-N 3.19Å; D187-A191 VanDerWaalsContact OD2-N 3.11Å; D187-L192 HydrophobicContact CB-CD1 4.27Å; D187-L192 VanDerWaalsContact OD2-CB 3.3Å; D187-L192 WeakPolarHBondContact OD2-CB 3.49Å; D187-L192 WeakPolarHBondContact OD2-CG 3.46Å; D187-L192 PolarHBondContact OD2-N 3.15Å
188P95.9Very high95.8Very high30 Ų3049.6 Ų49.620%0.19528%0.281CS..THydrogen-bonded Turntrans-58.1-31.5-173.923.9-34000112.9E185 N190 Y208 Y230E185-P188 WeakPolarHBondContact OE1-CB 3.17Å; P188-N190 VanDerWaalsContact C-N 3.33Å; P188-Y208 VanDerWaalsContact CG-O 3.3Å; P188-Y208 WeakPolarHBondContact CG-O 3.28Å; P188-Y230 HydrophobicContact CG-CE2 4.35Å
189D95.4Very high95.8Very high23 Ų2357.2 Ų57.212%0.12331%0.31CS..THydrogen-bonded Turntrans-92.86.5-177.7-55.3-45.2000113.2D187 A191 S209 E210 I211 A218D187-D189 PolarHBondContact O-N 2.95Å; D187-D189 VanDerWaalsContact O-N 3.16Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.95Å; D189-S209 VanDerWaalsContact OD1-CA 3.29Å; D189-S209 WeakPolarHBondContact OD1-CA 3.4Å; D189-S209 VanDerWaalsContact OD1-CB 3.24Å; D189-S209 WeakPolarHBondContact OD1-CB 3.48Å; D189-S209 PolarHBondContact OD1-OG 3.48Å; D189-E210 PolarHBondContact OD2-N 2.95Å; D189-I211 HydrophobicContact CB-CD1 4.45Å; D189-I211 HydrophobicContact CB-CG2 3.97Å; D189-A218 HydrophobicContact CB-CB 3.62Å; D189-A218 PolarHBondContact O-N 2.95Å
190N95.8Very high95.6Very high6 Ų658.9 Ų58.93%0.03232%0.321CS..  trans57.132.5176.7-17041.1000114.6D187 P188 L192 R193 H194 T195 Y197D187-N190 PolarHBondContact O-N 3.34Å; D187-N190 PolarHBondContact OD1-N 3.07Å; D187-N190 VanDerWaalsContact OD2-CA 3.3Å; D187-N190 WeakPolarHBondContact OD2-CA 3.45Å; P188-N190 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.47Å; N190-L192 VanDerWaalsContact O-N 3.16Å; N190-R193 PolarHBondContact O-N 2.97Å; N190-R193 PolarHBondContact O-NH1 3.39Å; N190-R193 WeakPolarHBondContact OD1-CA 3.42Å; N190-H194 PolarHBondContact OD1-N 3Å; N190-T195 PolarHBondContact ND2-O 3.46Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.42Å; N190-T195 PolarHBondContact OD1-N 3.18Å; N190-T195 PolarHBondContact OD1-O 3.04Å; N190-Y197 HydrophobicContact CB-CE2 3.89Å; N190-Y197 WeakPolarHBondContact ND2-CD2 3.44Å; N190-Y197 VanDerWaalsContact ND2-CE2 3.34Å; N190-Y197 WeakPolarHBondContact ND2-CE2 3.41Å
191A95.1Very high95.6Very high22 Ų2263.8 Ų63.818%0.18233%0.333CS..THydrogen-bonded Turntrans-57.2-30.7-178.800000112.7D187 D189 A218 F220 D221D187-A191 VanDerWaalsContact CG-N 3.35Å; D187-A191 WeakPolarHBondContact OD1-CB 3.48Å; D187-A191 PolarHBondContact OD1-N 3.33Å; D187-A191 PolarHBondContact OD2-N 3.19Å; D187-A191 VanDerWaalsContact OD2-N 3.11Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.95Å; A191-A218 HydrophobicContact CB-CB 3.89Å; A191-F220 WeakPolarHBondContact O-CA 3.1Å; A191-F220 WeakPolarHBondContact O-CD2 3.27Å; A191-D221 PolarHBondContact O-N 3.19Å
192L95.6Very high95.5Very high26 Ų2668.7 Ų68.714%0.13635%0.349CS..THydrogen-bonded Turntrans-86.3-9.7-178.2-55.6176.9000113.5D187 N190 H194 G224 P226D187-L192 HydrophobicContact CB-CD1 4.27Å; D187-L192 VanDerWaalsContact OD2-CB 3.3Å; D187-L192 WeakPolarHBondContact OD2-CB 3.49Å; D187-L192 WeakPolarHBondContact OD2-CG 3.46Å; D187-L192 PolarHBondContact OD2-N 3.15Å; N190-L192 PolarHBondContact O-N 3.47Å; N190-L192 VanDerWaalsContact O-N 3.16Å; L192-H194 PolarHBondContact O-N 3.36Å; L192-G224 VanDerWaalsContact CD2-C 3.47Å; L192-P226 HydrophobicContact CD1-CB 4.22Å; L192-P226 HydrophobicContact CD1-CG 3.71Å
193R95.6Very high95.3Very high77 Ų7774.8 Ų74.829%0.29137%0.371SS..  trans55.336.8-178.1-57.7-66.4-170.5-92.83.9113.3N190 T195 A218 F220N190-R193 PolarHBondContact O-N 2.97Å; N190-R193 PolarHBondContact O-NH1 3.39Å; N190-R193 WeakPolarHBondContact OD1-CA 3.42Å; R193-T195 PolarHBondContact O-N 2.82Å; R193-A218 PolarHBondContact NH1-O 3.4Å; R193-A218 PolarHBondContact NH2-O 3.47Å; R193-F220 HydrophobicContact CB-CD2 4.04Å; R193-F220 HydrophobicContact CB-CE2 4.01Å; R193-F220 HydrophobicContact CG-CB 4.36Å; R193-F220 HydrophobicContact CG-CD2 3.29Å; R193-F220 HydrophobicContact CG-CE2 3.79Å; R193-F220 HydrophobicContact CG-CG 4.05Å
194H95.5Very high95.2Very high106 Ų10677.1 Ų77.149%0.49138%0.384SS..SBendtrans-64.8-23.6170.9-77.2-171.8000112.5Y186 N190 L192Y186-H194 AromaticContact CE2-CE1 3.87Å; Y186-H194 AromaticContact CE2-ND1 3.29Å; Y186-H194 VanDerWaalsContact CE2-ND1 3.29Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.44Å; Y186-H194 AromaticContact CZ-ND1 3.55Å; Y186-H194 PolarHBondContact OH-ND1 3.05Å; N190-H194 PolarHBondContact OD1-N 3Å; L192-H194 PolarHBondContact O-N 3.36Å
195T95.8Very high95Very high62 Ų6278.5 Ų78.538%0.3839%0.39SS..SBendtrans-118.8145165.1-176.30000110.1N190 R193 Y197N190-T195 PolarHBondContact ND2-O 3.46Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.42Å; N190-T195 PolarHBondContact OD1-N 3.18Å; N190-T195 PolarHBondContact OD1-O 3.04Å; R193-T195 PolarHBondContact O-N 2.82Å; T195-Y197 HydrophobicContact CG2-CD2 4.06Å; T195-Y197 HydrophobicContact CG2-CE1 4.1Å; T195-Y197 HydrophobicContact CG2-CE2 3.42Å; T195-Y197 VanDerWaalsContact CG2-CE2 3.42Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.45Å
196V95.6Very high94.8Very high124 Ų12477.7 Ų77.775%0.75239%0.391SS*.  trans-112.9105.1178.4-178.10000108.4
197Y94.1Very high94.7Very high62 Ų6281 Ų8124%0.24341%0.408CS..  trans-79.3126179.6-61.8-77000110.6N190 T195 R199 W203N190-Y197 HydrophobicContact CB-CE2 3.89Å; N190-Y197 WeakPolarHBondContact ND2-CD2 3.44Å; N190-Y197 VanDerWaalsContact ND2-CE2 3.34Å; N190-Y197 WeakPolarHBondContact ND2-CE2 3.41Å; T195-Y197 HydrophobicContact CG2-CD2 4.06Å; T195-Y197 HydrophobicContact CG2-CE1 4.1Å; T195-Y197 HydrophobicContact CG2-CE2 3.42Å; T195-Y197 VanDerWaalsContact CG2-CE2 3.42Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.45Å; Y197-R199 VanDerWaalsContact C-N 3.32Å; Y197-W203 AromaticContact CD1-CD1 3.56Å; Y197-W203 AromaticContact CD1-CD2 3.66Å; Y197-W203 HydrophobicContact CD1-CD2 3.66Å; Y197-W203 AromaticContact CD1-CE2 3.48Å; Y197-W203 VanDerWaalsContact CD1-CE2 3.48Å; Y197-W203 HydrophobicContact CD1-CE3 4.41Å; Y197-W203 AromaticContact CD1-CG 3.71Å; Y197-W203 HydrophobicContact CD1-CG 3.71Å; Y197-W203 HydrophobicContact CD1-CZ2 4.1Å; Y197-W203 AromaticContact CD1-NE1 3.44Å; Y197-W203 HydrophobicContact CE1-CB 4.47Å; Y197-W203 AromaticContact CE1-CD2 3.49Å; Y197-W203 HydrophobicContact CE1-CD2 3.49Å; Y197-W203 VanDerWaalsContact CE1-CD2 3.49Å; Y197-W203 AromaticContact CE1-CE2 3.74Å; Y197-W203 AromaticContact CE1-CE3 3.83Å; Y197-W203 HydrophobicContact CE1-CE3 3.83Å; Y197-W203 AromaticContact CE1-CG 3.76Å; Y197-W203 HydrophobicContact CE1-CG 3.76Å; Y197-W203 HydrophobicContact CE1-CZ2 4.26Å; Y197-W203 HydrophobicContact CE1-CZ3 4.33Å
198P94.4Very high94.6Very high118 Ų11880.8 Ų80.877%0.76641%0.405SS*.SBendtrans-69.1-35177.127-33.1000111.7
199R94.6Very high94.5Very high159 Ų15980.6 Ų80.660%0.641%0.405SS*.SBendtrans-137.390.9174.8-69.6-177.8178.9178.9-0.5108.6Y197 E201 E202 W203Y197-R199 VanDerWaalsContact C-N 3.32Å; R199-E201 PolarHBondContact O-N 3.4Å; R199-E202 HydrophobicContact CB-CG 3.99Å; R199-E202 VanDerWaalsContact CD-CD 3.48Å; R199-E202 WeakPolarHBondContact CD-OE1 3.4Å; R199-E202 IonicContact CZ-OE1 2.76Å; R199-E202 IonicContact NE-OE1 3.88Å; R199-E202 IonicContact NH1-OE1 3.81Å; R199-E202 PolarHBondContact NH1-OE1 2.95Å; R199-E202 PolarHBondContact O-N 3.35Å; R199-W203 VanDerWaalsContact O-CD1 3.24Å
200P92.7Very high94.3Very high41 Ų4186.1 Ų86.127%0.26643%0.43SS..G310 helixtrans-51.2-38.8-179.7-32.539.6000113.7E202 W203 V216 Q217P200-E202 PolarHBondContact O-N 3.35Å; P200-W203 PolarHBondContact O-N 3.12Å; P200-W203 VanDerWaalsContact O-N 3.17Å; P200-V216 HydrophobicContact CB-CB 4.15Å; P200-V216 HydrophobicContact CB-CG1 3.33Å; P200-V216 WeakPolarHBondContact O-CG1 3.24Å; P200-Q217 HydrophobicContact CB-CG 4.32Å; P200-Q217 VanDerWaalsContact CG-NE2 3.3Å
201E92.8Very high94Very high167 Ų16787.3 Ų87.378%0.7844%0.436SS*.G310 helixtrans-64.9-21-172.8-61.4160.6-147.300113.7R199 W203 V216R199-E201 PolarHBondContact O-N 3.4Å; E201-W203 VanDerWaalsContact C-N 3.29Å; E201-V216 HydrophobicContact CG-CG1 4.41Å; E201-V216 HydrophobicContact CG-CG2 4.05Å
202E94.2Very high93.6Very high126 Ų12693 Ų9359%0.58946%0.459SS*.G310 helixtrans-81.4-8.7-179.2-65.4179.4177.200112.6R199 P200R199-E202 HydrophobicContact CB-CG 3.99Å; R199-E202 VanDerWaalsContact CD-CD 3.48Å; R199-E202 WeakPolarHBondContact CD-OE1 3.4Å; R199-E202 IonicContact CZ-OE1 2.76Å; R199-E202 IonicContact NE-OE1 3.88Å; R199-E202 IonicContact NH1-OE1 3.81Å; R199-E202 PolarHBondContact NH1-OE1 2.95Å; R199-E202 PolarHBondContact O-N 3.35Å; P200-E202 PolarHBondContact O-N 3.35Å
203W93.4Very high92.8Very high145 Ų145100.6 Ų100.655%0.54949%0.493SS..SBendtrans-97.9129.9-173.8-67.878.9000111.8Y197 R199 P200 E201Y197-W203 AromaticContact CD1-CD1 3.56Å; Y197-W203 AromaticContact CD1-CD2 3.66Å; Y197-W203 HydrophobicContact CD1-CD2 3.66Å; Y197-W203 AromaticContact CD1-CE2 3.48Å; Y197-W203 VanDerWaalsContact CD1-CE2 3.48Å; Y197-W203 HydrophobicContact CD1-CE3 4.41Å; Y197-W203 AromaticContact CD1-CG 3.71Å; Y197-W203 HydrophobicContact CD1-CG 3.71Å; Y197-W203 HydrophobicContact CD1-CZ2 4.1Å; Y197-W203 AromaticContact CD1-NE1 3.44Å; Y197-W203 HydrophobicContact CE1-CB 4.47Å; Y197-W203 AromaticContact CE1-CD2 3.49Å; Y197-W203 HydrophobicContact CE1-CD2 3.49Å; Y197-W203 VanDerWaalsContact CE1-CD2 3.49Å; Y197-W203 AromaticContact CE1-CE2 3.74Å; Y197-W203 AromaticContact CE1-CE3 3.83Å; Y197-W203 HydrophobicContact CE1-CE3 3.83Å; Y197-W203 AromaticContact CE1-CG 3.76Å; Y197-W203 HydrophobicContact CE1-CG 3.76Å; Y197-W203 HydrophobicContact CE1-CZ2 4.26Å; Y197-W203 HydrophobicContact CE1-CZ3 4.33Å; R199-W203 VanDerWaalsContact O-CD1 3.24Å; P200-W203 PolarHBondContact O-N 3.12Å; P200-W203 VanDerWaalsContact O-N 3.17Å; E201-W203 VanDerWaalsContact C-N 3.29Å
204P94.2Very high92.3Very high118 Ų118104.1 Ų104.177%0.76652%0.518SS*.PPolyproline II helixtrans-71.6152.1174.731.3-34.6000111
205K93.2Very high92Very high83 Ų83103.3 Ų103.336%0.36152%0.515SS..PPolyproline II helixtrans-79.9141.2174.5-67.2177.1-180172.90110.9I211 E212 E213 E215K205-I211 HydrophobicContact CD-CG1 4.29Å; K205-E212 PolarHBondContact NZ-O 3.48Å; K205-E213 VanDerWaalsContact NZ-C 3.28Å; K205-E213 VanDerWaalsContact NZ-CA 3.3Å; K205-E213 PolarHBondContact NZ-O 3.15Å; K205-E215 WeakPolarHBondContact CE-O 3.15Å; K205-E215 PolarHBondContact NZ-O 2.68Å
206S94.6Very high91.7Very high39 Ų39103.4 Ų103.427%0.27352%0.515SS..PPolyproline II helixtrans-73162.6173.3-176.20000111.2E185 Y208 S209E185-S206 VanDerWaalsContact CD-OG 3.27Å; E185-S206 WeakPolarHBondContact OE1-CB 3.35Å; E185-S206 PolarHBondContact OE1-OG 2.9Å; E185-S206 PolarHBondContact OE2-OG 3.26Å; S206-Y208 PolarHBondContact O-N 3.31Å; S206-S209 VanDerWaalsContact O-CB 3.25Å; S206-S209 WeakPolarHBondContact O-CB 3.44Å; S206-S209 PolarHBondContact O-N 3.46Å; S206-S209 VanDerWaalsContact O-N 3.12Å
207E94Very high91.5Very high132 Ų13299.4 Ų99.462%0.61749%0.488SS*.THydrogen-bonded Turntrans-62.3-18.5172.461.1175.5179.800113.3K20K20-E207 WeakPolarHBondContact CE-OE1 3.49Å; K20-E207 IonicContact NZ-OE1 3.41Å; K20-E207 PolarHBondContact NZ-OE1 3.47Å; K20-E207 IonicContact NZ-OE2 3.33Å; K20-E207 PolarHBondContact NZ-OE2 2.84Å
208Y95Very high91.4Very high31 Ų3197 Ų9712%0.12248%0.481CS..THydrogen-bonded Turntrans-97.4-0.2177.5-50.5-68.1000114K20 E185 P188 S206 E210 Y230K20-Y208 WeakPolarHBondContact CE-OH 3.37Å; E185-Y208 HydrophobicContact CB-CD2 4.48Å; E185-Y208 HydrophobicContact CG-CD2 4.5Å; E185-Y208 VanDerWaalsContact OE2-CD2 3.29Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.26Å; P188-Y208 VanDerWaalsContact CG-O 3.3Å; P188-Y208 WeakPolarHBondContact CG-O 3.28Å; S206-Y208 PolarHBondContact O-N 3.31Å; Y208-E210 PolarHBondContact O-N 2.86Å; Y208-Y230 AromaticContact CD1-CD1 3.19Å; Y208-Y230 HydrophobicContact CD1-CD1 3.19Å; Y208-Y230 AromaticContact CD1-CE1 3.58Å; Y208-Y230 HydrophobicContact CD1-CE1 3.58Å; Y208-Y230 AromaticContact CD1-CG 3.77Å; Y208-Y230 HydrophobicContact CD1-CG 3.77Å; Y208-Y230 HydrophobicContact CD2-CD1 4.26Å; Y208-Y230 HydrophobicContact CD2-CD2 4.38Å; Y208-Y230 AromaticContact CD2-CG 3.97Å; Y208-Y230 HydrophobicContact CD2-CG 3.97Å; Y208-Y230 AromaticContact CE1-CD1 3.51Å; Y208-Y230 HydrophobicContact CE1-CD1 3.51Å; Y208-Y230 HydrophobicContact CE1-CE1 4.3Å; Y208-Y230 AromaticContact CE1-CG 4Å; Y208-Y230 HydrophobicContact CE1-CG 4Å; Y208-Y230 HydrophobicContact CE2-CG 4.22Å; Y208-Y230 AromaticContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD2 4.16Å; Y208-Y230 AromaticContact CG-CE1 3.91Å; Y208-Y230 HydrophobicContact CG-CE1 3.91Å; Y208-Y230 HydrophobicContact CG-CE2 4.47Å; Y208-Y230 AromaticContact CG-CG 3.73Å; Y208-Y230 HydrophobicContact CG-CG 3.73Å
209S93.9Very high91.3Very high26 Ų2696.3 Ų96.318%0.18248%0.476CS..  trans-66.7128.9177-176.70000109.9D189 S206 I211D189-S209 VanDerWaalsContact OD1-CA 3.29Å; D189-S209 WeakPolarHBondContact OD1-CA 3.4Å; D189-S209 VanDerWaalsContact OD1-CB 3.24Å; D189-S209 WeakPolarHBondContact OD1-CB 3.48Å; D189-S209 PolarHBondContact OD1-OG 3.48Å; S206-S209 VanDerWaalsContact O-CB 3.25Å; S206-S209 WeakPolarHBondContact O-CB 3.44Å; S206-S209 PolarHBondContact O-N 3.46Å; S206-S209 VanDerWaalsContact O-N 3.12Å; S209-I211 WeakPolarHBondContact OG-CG1 3.39Å
210E89.7Confident91.3Very high138 Ų13894.2 Ų94.265%0.64547%0.472SS*.  trans-105-2-178.3-66.4-179.4-170.700112.3D189 Y208 R228D189-E210 PolarHBondContact OD2-N 2.95Å; Y208-E210 PolarHBondContact O-N 2.86Å; E210-R228 IonicContact OE1-NH1 3.75Å; E210-R228 PolarHBondContact OE1-NH1 2.93Å
211I89.8Confident91.4Very high32 Ų3295.8 Ų95.816%0.16448%0.478CS..SBendtrans-78.5151.4-178.461.6178.5000113.5D189 K205 S209 E215 A218D189-I211 HydrophobicContact CB-CD1 4.45Å; D189-I211 HydrophobicContact CB-CG2 3.97Å; K205-I211 HydrophobicContact CD-CG1 4.29Å; S209-I211 WeakPolarHBondContact OG-CG1 3.39Å; I211-E215 HydrophobicContact CB-CB 4.32Å; I211-E215 HydrophobicContact CD1-CB 4.37Å; I211-E215 WeakPolarHBondContact CD1-O 3.26Å; I211-A218 HydrophobicContact CG2-CB 4.38Å
212E86.3Confident91.4Very high142 Ų14292 Ų9266%0.66447%0.468SS*.  trans-60.2152176.7-63.3-171.5173.900111.7K205 D214 E215K205-E212 PolarHBondContact NZ-O 3.48Å; E212-D214 PolarHBondContact O-N 3.05Å; E212-D214 VanDerWaalsContact O-N 3.13Å; E212-E215 PolarHBondContact O-N 3.15Å
213E80.6Confident91.4Very high184 Ų18492.9 Ų92.986%0.8648%0.477SS*.THydrogen-bonded Turntrans-54.9-35.8-175.1-74.5-173.1176.900113.4K205K205-E213 VanDerWaalsContact NZ-C 3.28Å; K205-E213 VanDerWaalsContact NZ-CA 3.3Å; K205-E213 PolarHBondContact NZ-O 3.15Å
214D84.3Confident91.3Very high152 Ų15287.2 Ų87.281%0.81346%0.463SS*.THydrogen-bonded Turntrans-75.4-22-178.8-66.1-28.7000113.8E212E212-D214 PolarHBondContact O-N 3.05Å; E212-D214 VanDerWaalsContact O-N 3.13Å
215E88.3Confident91.3Very high89 Ų8989.2 Ų89.242%0.41646%0.46SS..  trans-85.4137.7178.4-67.3-165.1164.700111.1K205 I211 E212K205-E215 WeakPolarHBondContact CE-O 3.15Å; K205-E215 PolarHBondContact NZ-O 2.68Å; I211-E215 HydrophobicContact CB-CB 4.32Å; I211-E215 HydrophobicContact CD1-CB 4.37Å; I211-E215 WeakPolarHBondContact CD1-O 3.26Å; E212-E215 PolarHBondContact O-N 3.15Å
216V89.7Confident91.3Very high64 Ų6486.8 Ų86.839%0.38845%0.453SS..SBendtrans-94.4-33.5-175.6-165.70000112.4P200 E201P200-V216 HydrophobicContact CB-CB 4.15Å; P200-V216 HydrophobicContact CB-CG1 3.33Å; P200-V216 WeakPolarHBondContact O-CG1 3.24Å; E201-V216 HydrophobicContact CG-CG1 4.41Å; E201-V216 HydrophobicContact CG-CG2 4.05Å
217Q91.5Very high91.1Very high39 Ų3990 Ų9018%0.18246%0.464CS..SBendtrans-149.3152.3178.4-69.7175.21200109.5P200P200-Q217 HydrophobicContact CB-CG 4.32Å; P200-Q217 VanDerWaalsContact CG-NE2 3.3Å
218A92.1Very high91.2Very high13 Ų1388.3 Ų88.311%0.10745%0.451CS..PPolyproline II helixtrans-61.8152.5170.900000111.4D189 A191 R193 I211D189-A218 HydrophobicContact CB-CB 3.62Å; D189-A218 PolarHBondContact O-N 2.95Å; A191-A218 HydrophobicContact CB-CB 3.89Å; R193-A218 PolarHBondContact NH1-O 3.4Å; R193-A218 PolarHBondContact NH2-O 3.47Å; I211-A218 HydrophobicContact CG2-CB 4.38Å
219P92.8Very high91.3Very high102 Ų10286.8 Ų86.866%0.66245%0.446SS*.PPolyproline II helixtrans-52.6141.8168.9-2534000111.6D221P219-D221 PolarHBondContact O-N 2.99Å
220F94.7Very high91.5Very high116 Ų11686.4 Ų86.451%0.50944%0.44SS..PPolyproline II helixtrans-68.8124.1179.6174.3-126.4000111A191 R193 P222A191-F220 WeakPolarHBondContact O-CA 3.1Å; A191-F220 WeakPolarHBondContact O-CD2 3.27Å; R193-F220 HydrophobicContact CB-CD2 4.04Å; R193-F220 HydrophobicContact CB-CE2 4.01Å; R193-F220 HydrophobicContact CG-CB 4.36Å; R193-F220 HydrophobicContact CG-CD2 3.29Å; R193-F220 HydrophobicContact CG-CE2 3.79Å; R193-F220 HydrophobicContact CG-CG 4.05Å; F220-P222 HydrophobicContact CE1-CB 3.78Å; F220-P222 HydrophobicContact CE1-CG 4.36Å; F220-P222 HydrophobicContact CZ-CB 3.86Å
221D93.8Very high91.9Very high73 Ų7379.9 Ų79.939%0.3941%0.41SS..  trans-109.4103.5172.2-177.46.5000110.9A191 P219 N223 G224A191-D221 PolarHBondContact O-N 3.19Å; P219-D221 PolarHBondContact O-N 2.99Å; D221-N223 VanDerWaalsContact C-N 3.27Å; D221-N223 PolarHBondContact O-N 3.16Å; D221-N223 PolarHBondContact OD1-N 3.17Å; D221-G224 VanDerWaalsContact CG-N 3.28Å; D221-G224 PolarHBondContact O-N 3.25Å; D221-G224 PolarHBondContact OD1-N 2.93Å; D221-G224 VanDerWaalsContact OD2-CA 3.29Å; D221-G224 WeakPolarHBondContact OD2-CA 3.47Å; D221-G224 PolarHBondContact OD2-N 3.4Å
222P93.4Very high92.3Very high89 Ų8979.7 Ų79.758%0.57841%0.409SS*.THydrogen-bonded Turntrans-72.8-17.3179.729.6-34.8000113.9F220F220-P222 HydrophobicContact CE1-CB 3.78Å; F220-P222 HydrophobicContact CE1-CG 4.36Å; F220-P222 HydrophobicContact CZ-CB 3.86Å
223N94.4Very high92.8Very high143 Ų14372.9 Ų72.977%0.76538%0.377SS*.THydrogen-bonded Turntrans-100.2-9.3-179.3-63.5-50.2000112.5D221D221-N223 VanDerWaalsContact C-N 3.27Å; D221-N223 PolarHBondContact O-N 3.16Å; D221-N223 PolarHBondContact OD1-N 3.17Å
224G91.7Very high93.5Very high26 Ų2667.8 Ų67.827%0.26835%0.353SS..  trans-62.6155.2179.100000112.4L192 D221L192-G224 VanDerWaalsContact CD2-C 3.47Å; D221-G224 VanDerWaalsContact CG-N 3.28Å; D221-G224 PolarHBondContact O-N 3.25Å; D221-G224 PolarHBondContact OD1-N 2.93Å; D221-G224 VanDerWaalsContact OD2-CA 3.29Å; D221-G224 WeakPolarHBondContact OD2-CA 3.47Å; D221-G224 PolarHBondContact OD2-N 3.4Å
225K93.3Very high94Very high161 Ų16161.1 Ų61.170%0.732%0.318SS*.  trans-129.4154.5172.7-67.7-178.4-177.5176.90109.7E227K225-E227 PolarHBondContact O-N 3.46Å; K225-E227 VanDerWaalsContact O-N 3.13Å
226P94.1Very high94.1Very high31 Ų3158.9 Ų58.920%0.20131%0.312CS..  trans-65.3112.6171.7-18.131000110L28 Y186 L192 F229L28-P226 HydrophobicContact CB-CB 4.43Å; Y186-P226 HydrophobicContact CD2-CB 4.07Å; Y186-P226 HydrophobicContact CE2-CB 4.36Å; Y186-P226 HydrophobicContact CE2-CG 4.41Å; L192-P226 HydrophobicContact CD1-CB 4.22Å; L192-P226 HydrophobicContact CD1-CG 3.71Å; P226-F229 HydrophobicContact CB-CE1 4.06Å; P226-F229 HydrophobicContact CB-CZ 3.82Å
227E91.1Very high94Very high108 Ų10856.8 Ų56.851%0.50530%0.303SS..  trans-119.8-31.8-175.5-72.7-177.5176.500114.1E24 N25 K225E24-E227 CarbonylContact C-O 3.5Å; E24-E227 VanDerWaalsContact CA-O 3.31Å; E24-E227 WeakPolarHBondContact CA-O 3.49Å; N25-E227 PolarHBondContact N-O 3.45Å; K225-E227 PolarHBondContact O-N 3.46Å; K225-E227 VanDerWaalsContact O-N 3.13Å
228R94.9Very high93.9Very high95 Ų9555.3 Ų55.336%0.35830%0.297SS..EExtended strand (participates in β ladder)trans-114.2123.5-175.8-54.4178.681.5-160.6-0.2109.8E24 Y186 E210E24-R228 HydrophobicContact CG-CG 4.09Å; E24-R228 IonicContact OE1-CZ 2.72Å; E24-R228 IonicContact OE1-NE 2.86Å; E24-R228 PolarHBondContact OE1-NE 3.4Å; E24-R228 IonicContact OE1-NH2 3.72Å; E24-R228 PolarHBondContact OE1-NH2 2.73Å; Y186-R228 WeakPolarHBondContact CB-O 3.2Å; E210-R228 IonicContact OE1-NH1 3.75Å; E210-R228 PolarHBondContact OE1-NH1 2.93Å
229F97.7Very high94Very high0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-124.1124.4-177.6-55.3-86.3000110.3V22 I23 T26 L28 A31 F184 Y186 P226 Y231V22-F229 CarbonylContact C-O 3.48Å; V22-F229 WeakPolarHBondContact CA-O 3.46Å; I23-F229 PolarHBondContact N-O 2.88Å; I23-F229 PolarHBondContact O-N 3.24Å; T26-F229 HydrophobicContact CG2-CD2 3.48Å; T26-F229 VanDerWaalsContact CG2-CD2 3.48Å; T26-F229 HydrophobicContact CG2-CE2 3.43Å; T26-F229 VanDerWaalsContact CG2-CE2 3.43Å; T26-F229 WeakPolarHBondContact O-CE2 3.32Å; L28-F229 HydrophobicContact CB-CE1 3.93Å; L28-F229 HydrophobicContact CB-CZ 4Å; L28-F229 HydrophobicContact CD1-CD1 4.33Å; L28-F229 HydrophobicContact CD1-CE1 3.66Å; L28-F229 HydrophobicContact CG-CE1 4.4Å; A31-F229 HydrophobicContact CB-CB 4.42Å; A31-F229 HydrophobicContact CB-CD1 3.8Å; A31-F229 HydrophobicContact CB-CD2 4.05Å; A31-F229 HydrophobicContact CB-CE1 4.07Å; A31-F229 HydrophobicContact CB-CE2 4.29Å; A31-F229 HydrophobicContact CB-CG 3.8Å; A31-F229 HydrophobicContact CB-CZ 4.3Å; F184-F229 HydrophobicContact CE2-CB 4.15Å; F184-F229 AromaticContact CE2-CD1 3.89Å; F184-F229 HydrophobicContact CE2-CD1 3.89Å; F184-F229 HydrophobicContact CE2-CG 4.38Å; F184-F229 AromaticContact CZ-CD1 3.72Å; F184-F229 HydrophobicContact CZ-CD1 3.72Å; F184-F229 HydrophobicContact CZ-CE1 4.37Å; Y186-F229 HydrophobicContact CD1-CD1 4.49Å; Y186-F229 HydrophobicContact CG-CD1 4.14Å; Y186-F229 HydrophobicContact CG-CE1 4.09Å; P226-F229 HydrophobicContact CB-CE1 4.06Å; P226-F229 HydrophobicContact CB-CZ 3.82Å; F229-Y231 HydrophobicContact CB-CD2 4.37Å; F229-Y231 HydrophobicContact CB-CE2 3.74Å
230Y97.8Very high93.9Very high18 Ų1855.9 Ų55.97%0.07128%0.284CS..EExtended strand (participates in β ladder)trans-97.3129.5-179.5-54.7-92.9000109.7V22 F184 E185 P188 Y208V22-Y230 HydrophobicContact CB-CD1 4.5Å; V22-Y230 HydrophobicContact CG1-CD1 4.21Å; V22-Y230 HydrophobicContact CG1-CE1 4.23Å; V22-Y230 HydrophobicContact CG2-CD1 3.54Å; V22-Y230 HydrophobicContact CG2-CE1 3.9Å; V22-Y230 HydrophobicContact CG2-CG 4.47Å; F184-Y230 WeakPolarHBondContact CA-O 3.43Å; E185-Y230 PolarHBondContact N-O 3.2Å; E185-Y230 PolarHBondContact O-N 3.19Å; P188-Y230 HydrophobicContact CG-CE2 4.35Å; Y208-Y230 AromaticContact CD1-CD1 3.19Å; Y208-Y230 HydrophobicContact CD1-CD1 3.19Å; Y208-Y230 AromaticContact CD1-CE1 3.58Å; Y208-Y230 HydrophobicContact CD1-CE1 3.58Å; Y208-Y230 AromaticContact CD1-CG 3.77Å; Y208-Y230 HydrophobicContact CD1-CG 3.77Å; Y208-Y230 HydrophobicContact CD2-CD1 4.26Å; Y208-Y230 HydrophobicContact CD2-CD2 4.38Å; Y208-Y230 AromaticContact CD2-CG 3.97Å; Y208-Y230 HydrophobicContact CD2-CG 3.97Å; Y208-Y230 AromaticContact CE1-CD1 3.51Å; Y208-Y230 HydrophobicContact CE1-CD1 3.51Å; Y208-Y230 HydrophobicContact CE1-CE1 4.3Å; Y208-Y230 AromaticContact CE1-CG 4Å; Y208-Y230 HydrophobicContact CE1-CG 4Å; Y208-Y230 HydrophobicContact CE2-CG 4.22Å; Y208-Y230 AromaticContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD2 4.16Å; Y208-Y230 AromaticContact CG-CE1 3.91Å; Y208-Y230 HydrophobicContact CG-CE1 3.91Å; Y208-Y230 HydrophobicContact CG-CE2 4.47Å; Y208-Y230 AromaticContact CG-CG 3.73Å; Y208-Y230 HydrophobicContact CG-CG 3.73Å
231Y98Very high93.9Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-122.7141.9178.8-74.4-98.8000110.7K20 F21 I23 A31 R35 F38 V182 S183 F184 F229K20-Y231 CarbonylContact C-O 3.56Å; K20-Y231 VanDerWaalsContact CA-O 3.31Å; K20-Y231 WeakPolarHBondContact CA-O 3.3Å; K20-Y231 WeakPolarHBondContact CG-O 3.29Å; F21-Y231 HydrophobicContact CD2-CD2 4.35Å; F21-Y231 HydrophobicContact CD2-CG 4.46Å; F21-Y231 HydrophobicContact CE1-CG 4.36Å; F21-Y231 HydrophobicContact CE2-CD1 4.45Å; F21-Y231 AromaticContact CE2-CD2 3.75Å; F21-Y231 HydrophobicContact CE2-CD2 3.75Å; F21-Y231 HydrophobicContact CE2-CE2 4.5Å; F21-Y231 AromaticContact CE2-CG 3.72Å; F21-Y231 HydrophobicContact CE2-CG 3.72Å; F21-Y231 VanDerWaalsContact CZ-CB 3.49Å; F21-Y231 HydrophobicContact CZ-CD1 4.09Å; F21-Y231 HydrophobicContact CZ-CD2 4.19Å; F21-Y231 AromaticContact CZ-CG 3.68Å; F21-Y231 HydrophobicContact CZ-CG 3.68Å; F21-Y231 PolarHBondContact N-O 2.76Å; F21-Y231 PolarHBondContact O-N 2.89Å; I23-Y231 HydrophobicContact CD1-CD2 4.32Å; I23-Y231 HydrophobicContact CD1-CE2 3.89Å; I23-Y231 HydrophobicContact CG1-CD2 4.45Å; I23-Y231 HydrophobicContact CG1-CE2 4.33Å; A31-Y231 WeakPolarHBondContact CA-OH 3.48Å; A31-Y231 VanDerWaalsContact CB-OH 3.24Å; A31-Y231 WeakPolarHBondContact CB-OH 3.46Å; A31-Y231 PolarHBondContact O-OH 2.98Å; R35-Y231 HydrophobicContact CB-CE1 4.06Å; F38-Y231 HydrophobicContact CE2-CD1 4.01Å; F38-Y231 HydrophobicContact CE2-CE1 4.06Å; V182-Y231 HydrophobicContact CG1-CD1 4.45Å; S183-Y231 WeakPolarHBondContact O-CA 3.35Å; F184-Y231 HydrophobicContact CD2-CD1 4.22Å; F184-Y231 AromaticContact CD2-CE1 3.62Å; F184-Y231 HydrophobicContact CD2-CE1 3.62Å; F184-Y231 AromaticContact CD2-CE2 3.94Å; F184-Y231 HydrophobicContact CD2-CE2 3.94Å; F184-Y231 AromaticContact CD2-CZ 3.45Å; F184-Y231 VanDerWaalsContact CD2-CZ 3.45Å; F184-Y231 HydrophobicContact CE2-CE1 4.18Å; F184-Y231 AromaticContact CE2-CE2 3.93Å; F184-Y231 HydrophobicContact CE2-CE2 3.93Å; F184-Y231 AromaticContact CE2-CZ 3.55Å; F184-Y231 VanDerWaalsContact CE2-OH 3.27Å; F184-Y231 WeakPolarHBondContact CE2-OH 3.37Å; F229-Y231 HydrophobicContact CB-CD2 4.37Å; F229-Y231 HydrophobicContact CB-CE2 3.74Å
232N97.7Very high93.9Very high28 Ų2850 Ų5015%0.1526%0.255CS..EExtended strand (participates in β ladder)trans-129.8111.1157.8-172.6-3.5000107.5N18 K20 V182 S183N18-N232 PolarHBondContact ND2-OD1 3.42Å; N18-N232 VanDerWaalsContact ND2-OD1 3.11Å; K20-N232 HydrophobicContact CG-CB 4.14Å; V182-N232 CarbonylContact C-O 3.56Å; V182-N232 WeakPolarHBondContact CA-O 3.34Å; S183-N232 PolarHBondContact N-O 3.49Å; S183-N232 PolarHBondContact O-N 3.01Å; S183-N232 VanDerWaalsContact O-N 3.14Å
233V97.3Very high94Very high0 Ų046.9 Ų46.90%024%0.235CC..EExtended strand (participates in β ladder)trans-100.7113.9176.2179.20000107.6N18 V19 F21 F38 T179 V182 I244 V245N18-V233 WeakPolarHBondContact CA-O 3.35Å; V19-V233 HydrophobicContact CG1-CB 3.78Å; V19-V233 HydrophobicContact CG1-CG1 4.49Å; V19-V233 PolarHBondContact N-O 3.31Å; V19-V233 PolarHBondContact O-N 3.28Å; F21-V233 HydrophobicContact CE1-CG2 3.93Å; F21-V233 HydrophobicContact CZ-CG2 4.38Å; F38-V233 HydrophobicContact CD2-CG2 3.75Å; F38-V233 HydrophobicContact CE2-CG2 3.71Å; F38-V233 HydrophobicContact CG-CG2 4.47Å; F38-V233 HydrophobicContact CZ-CG2 4.42Å; T179-V233 HydrophobicContact CG2-CG1 3.97Å; V182-V233 HydrophobicContact CG1-CG2 4.16Å; V233-I244 HydrophobicContact CG1-CG2 4.29Å; V233-V245 HydrophobicContact CG2-CG2 4.43Å
234E95.9Very high94Very high77 Ų7740.1 Ų40.136%0.3620%0.198SC..EExtended strand (participates in β ladder)trans-102.3128.2178.4-171.4-176.2169.700109.4E17 T179 A180 G181E17-E234 CarbonylContact O-C 3.5Å; E17-E234 WeakPolarHBondContact O-CA 3.3Å; T179-E234 CarbonylContact C-O 3.59Å; T179-E234 VanDerWaalsContact CA-O 3.26Å; T179-E234 WeakPolarHBondContact CA-O 3.26Å; A180-E234 HydrophobicContact CB-CB 4.36Å; A180-E234 HydrophobicContact CB-CG 3.98Å; A180-E234 PolarHBondContact N-O 3.25Å; G181-E234 PolarHBondContact O-N 3.08Å
235T93.6Very high94.2Very high11 Ų1140 Ų407%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-82.2149.8179.6-178.90000112.1E17 P178 G237 L239E17-T235 VanDerWaalsContact O-CG2 3.26Å; E17-T235 WeakPolarHBondContact O-CG2 3.31Å; E17-T235 PolarHBondContact O-N 3.5Å; P178-T235 PolarHBondContact O-OG1 3.27Å; T235-G237 PolarHBondContact O-N 2.91Å; T235-G237 PolarHBondContact OG1-N 3.38Å; T235-L239 WeakPolarHBondContact CB-O 3.47Å; T235-L239 PolarHBondContact OG1-O 2.95Å
236C90.4Very high94.3Very high42 Ų4238.6 Ų38.628%0.28419%0.19SC..  trans-79.14.8164.470.20000113N177 P178 S238N177-C236 PolarHBondContact O-SG 2.69Å; N177-C236 VanDerWaalsContact O-SG 3.37Å; P178-C236 VanDerWaalsContact C-SG 3.51Å; P178-C236 PolarHBondContact O-N 3.3Å; P178-C236 PolarHBondContact O-SG 2.8Å; C236-S238 VanDerWaalsContact C-N 3.31Å; C236-S238 PolarHBondContact O-N 3.06Å; C236-S238 PolarHBondContact SG-OG 3.48Å; C236-S238 VanDerWaalsContact SG-OG 3.35Å
237G88.6Confident94.3Very high20 Ų2038.2 Ų38.221%0.20619%0.188CC..SBendtrans84.6-9-178.900000115.1V130 T235 L239V130-G237 VanDerWaalsContact CG2-C 3.46Å; V130-G237 WeakPolarHBondContact CG2-O 3.18Å; T235-G237 PolarHBondContact O-N 2.91Å; T235-G237 PolarHBondContact OG1-N 3.38Å; G237-L239 VanDerWaalsContact C-N 3.31Å; G237-L239 PolarHBondContact O-N 3.16Å
238S89.8Confident94.5Very high8 Ų833.1 Ų33.16%0.05616%0.164CC..SBendtrans-68.5-30.3177.1-61.50000113P72 L73 S75 C236P72-S238 WeakPolarHBondContact CB-OG 3.43Å; L73-S238 WeakPolarHBondContact O-CA 3.33Å; L73-S238 VanDerWaalsContact O-CB 3.23Å; L73-S238 WeakPolarHBondContact O-CB 3.5Å; L73-S238 PolarHBondContact O-OG 2.77Å; S75-S238 PolarHBondContact N-O 3.16Å; S75-S238 PolarHBondContact OG-O 3.27Å; C236-S238 VanDerWaalsContact C-N 3.31Å; C236-S238 PolarHBondContact O-N 3.06Å; C236-S238 PolarHBondContact SG-OG 3.48Å; C236-S238 VanDerWaalsContact SG-OG 3.35Å
239L92.3Very high94.5Very high3 Ų332.1 Ų32.12%0.01617%0.166CC..SBendtrans-134.1151.6175.1-72.5178.1000109.4V42 T44 S75 D76 V79 P178 T235 G237 T243 I244V42-L239 HydrophobicContact CG1-CD1 3.79Å; T44-L239 HydrophobicContact CG2-CD1 3.82Å; T44-L239 HydrophobicContact CG2-CG 4.25Å; S75-L239 WeakPolarHBondContact OG-CD2 3.05Å; S75-L239 WeakPolarHBondContact OG-CG 3.4Å; D76-L239 VanDerWaalsContact OD1-CA 3.32Å; D76-L239 WeakPolarHBondContact OD1-CA 3.47Å; V79-L239 HydrophobicContact CG1-CD2 4.39Å; P178-L239 HydrophobicContact CB-CD1 4.03Å; T235-L239 WeakPolarHBondContact CB-O 3.47Å; T235-L239 PolarHBondContact OG1-O 2.95Å; G237-L239 VanDerWaalsContact C-N 3.31Å; G237-L239 PolarHBondContact O-N 3.16Å; L239-T243 HydrophobicContact CD2-CG2 4.49Å; L239-I244 HydrophobicContact CB-CD1 4.25Å; L239-I244 HydrophobicContact CB-CG1 3.76Å; L239-I244 HydrophobicContact CD1-CG1 4.2Å
240R92.3Very high94.4Very high125 Ų12534.9 Ų34.947%0.47219%0.189SC..  trans-69.2145.3170.6-67.8-173.9-66.2155.2-7.3111.7D76 E242 T243 I244D76-R240 PolarHBondContact OD1-N 2.9Å; R240-E242 VanDerWaalsContact C-N 3.34Å; R240-E242 WeakPolarHBondContact CD-OE1 3.45Å; R240-E242 IonicContact CZ-OE1 2.96Å; R240-E242 VanDerWaalsContact CZ-OE1 3.27Å; R240-E242 IonicContact NE-OE1 2.97Å; R240-E242 PolarHBondContact NE-OE1 3.16Å; R240-E242 IonicContact NH1-OE1 3.05Å; R240-E242 PolarHBondContact NH1-OE1 2.81Å; R240-E242 PolarHBondContact O-N 2.66Å; R240-T243 WeakPolarHBondContact O-CA 2.83Å; R240-T243 WeakPolarHBondContact O-CB 3.15Å; R240-T243 PolarHBondContact O-N 3.11Å; R240-I244 PolarHBondContact O-N 3.14Å; R240-I244 VanDerWaalsContact O-N 3.08Å
241P94.3Very high94.2Very high1 Ų136 Ų361%0.00620%0.197CC..Hα-helixtrans-59.8-40.2-17323-32.6000112.9L14 D16 V19 T243 I244 V245L14-P241 HydrophobicContact CD1-CG 4.43Å; D16-P241 WeakPolarHBondContact O-CD 3.29Å; V19-P241 HydrophobicContact CB-CB 3.97Å; V19-P241 HydrophobicContact CG1-CB 3.77Å; P241-T243 VanDerWaalsContact C-N 3.28Å; P241-T243 PolarHBondContact O-N 3.01Å; P241-I244 WeakPolarHBondContact O-CB 3.25Å; P241-I244 PolarHBondContact O-N 2.97Å; P241-V245 PolarHBondContact O-N 2.84Å
242E94.3Very high94.1Very high63 Ų6337.8 Ų37.829%0.29421%0.207SC..Hα-helixtrans-65.1-32.3175.169.3-81.4-168.400112.8R240 V245 M246R240-E242 VanDerWaalsContact C-N 3.34Å; R240-E242 WeakPolarHBondContact CD-OE1 3.45Å; R240-E242 IonicContact CZ-OE1 2.96Å; R240-E242 VanDerWaalsContact CZ-OE1 3.27Å; R240-E242 IonicContact NE-OE1 2.97Å; R240-E242 PolarHBondContact NE-OE1 3.16Å; R240-E242 IonicContact NH1-OE1 3.05Å; R240-E242 PolarHBondContact NH1-OE1 2.81Å; R240-E242 PolarHBondContact O-N 2.66Å; E242-V245 PolarHBondContact O-N 2.93Å; E242-M246 WeakPolarHBondContact O-CG 3.29Å; E242-M246 PolarHBondContact O-N 3.11Å
243T94Very high94Very high25 Ų2544.2 Ų44.215%0.15323%0.233CC..Hα-helixtrans-71.6-37.1178.7-57.80000110.6L239 R240 P241 V245 M246 S247L239-T243 HydrophobicContact CD2-CG2 4.49Å; R240-T243 WeakPolarHBondContact O-CA 2.83Å; R240-T243 WeakPolarHBondContact O-CB 3.15Å; R240-T243 PolarHBondContact O-N 3.11Å; P241-T243 VanDerWaalsContact C-N 3.28Å; P241-T243 PolarHBondContact O-N 3.01Å; T243-V245 VanDerWaalsContact C-N 3.34Å; T243-V245 PolarHBondContact O-N 2.93Å; T243-M246 PolarHBondContact O-N 3.03Å; T243-S247 WeakPolarHBondContact O-CB 3.31Å; T243-S247 PolarHBondContact O-N 2.87Å; T243-S247 PolarHBondContact O-OG 2.91Å
244I95.5Very high93.9Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-58.7-48173.6-62.6172.1000110F38 V42 P178 T179 V233 L239 R240 P241 A248F38-I244 HydrophobicContact CB-CG2 4.48Å; F38-I244 HydrophobicContact CD1-CG2 4.39Å; V42-I244 HydrophobicContact CG2-CG2 4.28Å; P178-I244 HydrophobicContact CB-CD1 3.94Å; P178-I244 HydrophobicContact CB-CG1 4.06Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 WeakPolarHBondContact O-CD1 3.02Å; T179-I244 HydrophobicContact CG2-CD1 4.28Å; T179-I244 HydrophobicContact CG2-CG2 4.07Å; V233-I244 HydrophobicContact CG1-CG2 4.29Å; L239-I244 HydrophobicContact CB-CD1 4.25Å; L239-I244 HydrophobicContact CB-CG1 3.76Å; L239-I244 HydrophobicContact CD1-CG1 4.2Å; R240-I244 PolarHBondContact O-N 3.14Å; R240-I244 VanDerWaalsContact O-N 3.08Å; P241-I244 WeakPolarHBondContact O-CB 3.25Å; P241-I244 PolarHBondContact O-N 2.97Å; I244-A248 VanDerWaalsContact O-CB 3.26Å; I244-A248 WeakPolarHBondContact O-CB 3.45Å; I244-A248 PolarHBondContact O-N 3.32Å
245V95.4Very high93.9Very high24 Ų2451.3 Ų51.315%0.14526%0.263CS..Hα-helixtrans-64.3-48.1-178.2177.40000111.3V19 F21 F38 V233 P241 E242 T243 A248 L249V19-V245 HydrophobicContact CG1-CG2 3.92Å; F21-V245 HydrophobicContact CE1-CG2 4.09Å; F21-V245 HydrophobicContact CZ-CG2 4.48Å; F38-V245 HydrophobicContact CE1-CB 4.18Å; F38-V245 HydrophobicContact CE1-CG1 4.13Å; F38-V245 HydrophobicContact CE1-CG2 4.05Å; F38-V245 HydrophobicContact CZ-CB 4.49Å; F38-V245 HydrophobicContact CZ-CG1 4.18Å; F38-V245 HydrophobicContact CZ-CG2 4.08Å; V233-V245 HydrophobicContact CG2-CG2 4.43Å; P241-V245 PolarHBondContact O-N 2.84Å; E242-V245 PolarHBondContact O-N 2.93Å; T243-V245 VanDerWaalsContact C-N 3.34Å; T243-V245 PolarHBondContact O-N 2.93Å; V245-A248 PolarHBondContact O-N 3.37Å; V245-L249 WeakPolarHBondContact O-CG 3.47Å; V245-L249 PolarHBondContact O-N 2.82Å; V245-L249 VanDerWaalsContact O-N 3.17Å
246M94.6Very high94Very high132 Ų13255.8 Ų55.865%0.6529%0.286SS*.Hα-helixtrans-65-41.9180-69-60.6-71.800112.3E242 T243 L249 A250E242-M246 WeakPolarHBondContact O-CG 3.29Å; E242-M246 PolarHBondContact O-N 3.11Å; T243-M246 PolarHBondContact O-N 3.03Å; M246-L249 PolarHBondContact O-N 2.95Å; M246-A250 PolarHBondContact O-N 2.91Å
247S94.3Very high94.3Very high22 Ų2256.6 Ų56.615%0.15429%0.292CS..Hα-helixtrans-65-41.3178-59.90000111.5T243 L249 A250 V251T243-S247 WeakPolarHBondContact O-CB 3.31Å; T243-S247 PolarHBondContact O-N 2.87Å; T243-S247 PolarHBondContact O-OG 2.91Å; S247-L249 PolarHBondContact O-N 2.87Å; S247-A250 PolarHBondContact O-N 3.44Å; S247-V251 WeakPolarHBondContact O-CB 3.42Å; S247-V251 VanDerWaalsContact O-CG2 3.28Å; S247-V251 WeakPolarHBondContact O-CG2 3.31Å; S247-V251 PolarHBondContact O-N 2.75Å
248A95.6Very high94.7Very high1 Ų159.2 Ų59.21%0.00830%0.302CS..Hα-helixtrans-59.7-46.2176.500000112.2V37 F38 V42 I244 V245 A250 V251 L252V37-A248 HydrophobicContact CB-CB 4.38Å; V37-A248 HydrophobicContact CG1-CB 3.59Å; V37-A248 WeakPolarHBondContact CG1-O 3.44Å; F38-A248 HydrophobicContact CD1-CB 3.34Å; F38-A248 HydrophobicContact CE1-CB 3.58Å; V42-A248 HydrophobicContact CG2-CB 3.57Å; I244-A248 VanDerWaalsContact O-CB 3.26Å; I244-A248 WeakPolarHBondContact O-CB 3.45Å; I244-A248 PolarHBondContact O-N 3.32Å; V245-A248 PolarHBondContact O-N 3.37Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 2.85Å; A248-V251 PolarHBondContact O-N 2.75Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 2.9Å
249L95Very high95Very high74 Ų7464.6 Ų64.639%0.38733%0.329SS..Hα-helixtrans-63.6-39.8177.2-66.6177000111.7I34 V245 M246 S247 L252 K253I34-L249 HydrophobicContact CD1-CD2 4.11Å; I34-L249 HydrophobicContact CG1-CD2 4.23Å; V245-L249 WeakPolarHBondContact O-CG 3.47Å; V245-L249 PolarHBondContact O-N 2.82Å; V245-L249 VanDerWaalsContact O-N 3.17Å; M246-L249 PolarHBondContact O-N 2.95Å; S247-L249 PolarHBondContact O-N 2.87Å; L249-L252 PolarHBondContact O-N 2.64Å; L249-K253 VanDerWaalsContact O-CB 3.31Å; L249-K253 WeakPolarHBondContact O-CB 3.37Å; L249-K253 PolarHBondContact O-N 2.76Å
250A95.4Very high95.1Very high59 Ų5970.6 Ų70.649%0.48836%0.357SS..Hα-helixtrans-63.4-43.7175.500000112M246 S247 A248 K253 K254M246-A250 PolarHBondContact O-N 2.91Å; S247-A250 PolarHBondContact O-N 3.44Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 2.85Å; A250-K253 PolarHBondContact O-N 2.97Å; A250-K254 WeakPolarHBondContact O-CB 3.33Å; A250-K254 PolarHBondContact O-N 2.92Å
251V94.6Very high95.3Very high40 Ų4067.3 Ų67.324%0.24235%0.351CS..Hα-helixtrans-62.2-46.9176.2169.40000110.9E41 S247 A248 K253 K254 K255E41-V251 HydrophobicContact CB-CG1 3.94Å; S247-V251 WeakPolarHBondContact O-CB 3.42Å; S247-V251 VanDerWaalsContact O-CG2 3.28Å; S247-V251 WeakPolarHBondContact O-CG2 3.31Å; S247-V251 PolarHBondContact O-N 2.75Å; A248-V251 PolarHBondContact O-N 2.75Å; V251-K253 PolarHBondContact O-N 3.12Å; V251-K254 PolarHBondContact O-N 2.67Å; V251-K255 HydrophobicContact CG1-CD 4.24Å; V251-K255 WeakPolarHBondContact O-CG 3.32Å; V251-K255 PolarHBondContact O-N 2.97Å
252L94.9Very high95.3Very high39 Ų3973 Ų7320%0.20438%0.377CS..Hα-helixtrans-62.4-44.2178.6-175.858.8000111.4I34 V37 A248 L249 K254 K255 L256I34-L252 HydrophobicContact CG1-CD2 4.11Å; V37-L252 HydrophobicContact CG2-CB 4.49Å; V37-L252 HydrophobicContact CG2-CD1 4.29Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 2.9Å; L249-L252 PolarHBondContact O-N 2.64Å; L252-K254 PolarHBondContact O-N 3.25Å; L252-K255 PolarHBondContact O-N 2.89Å; L252-L256 HydrophobicContact CG-CD1 4.35Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 3.04Å
253K96.1Very high95.3Very high162 Ų16274.4 Ų74.470%0.70439%0.386SS*.Hα-helixtrans-59.7-45.2175.1-178-178.1177-176.50111.7L249 A250 V251 L256 S257L249-K253 VanDerWaalsContact O-CB 3.31Å; L249-K253 WeakPolarHBondContact O-CB 3.37Å; L249-K253 PolarHBondContact O-N 2.76Å; A250-K253 PolarHBondContact O-N 2.97Å; V251-K253 PolarHBondContact O-N 3.12Å; K253-L256 PolarHBondContact O-N 3.05Å; K253-S257 WeakPolarHBondContact O-CB 3.47Å; K253-S257 PolarHBondContact O-N 2.95Å
254K95.6Very high95.2Very high134 Ų13475.5 Ų75.558%0.58340%0.395SS*.Hα-helixtrans-59.2-49.6177.6-177.3-179.7176.7-177.70110.8A250 V251 L252 L256 S257 D258A250-K254 WeakPolarHBondContact O-CB 3.33Å; A250-K254 PolarHBondContact O-N 2.92Å; V251-K254 PolarHBondContact O-N 2.67Å; L252-K254 PolarHBondContact O-N 3.25Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 3.39Å; K254-S257 WeakPolarHBondContact O-CB 3.45Å; K254-S257 PolarHBondContact O-N 2.77Å; K254-S257 VanDerWaalsContact O-N 3.12Å; K254-D258 PolarHBondContact O-N 3.13Å
255K95.3Very high95Very high93 Ų9380 Ų8040%0.40442%0.416SS..Hα-helixtrans-59.6-41.5179.2-73178.569.6-162.60113.2E41 V251 L252 D258 L259E41-K255 IonicContact OE1-NZ 3.8Å; E41-K255 PolarHBondContact OE1-NZ 3.42Å; E41-K255 WeakPolarHBondContact OE2-CD 3.48Å; E41-K255 IonicContact OE2-NZ 2.79Å; E41-K255 PolarHBondContact OE2-NZ 2.92Å; V251-K255 HydrophobicContact CG1-CD 4.24Å; V251-K255 WeakPolarHBondContact O-CG 3.32Å; V251-K255 PolarHBondContact O-N 2.97Å; L252-K255 PolarHBondContact O-N 2.89Å; K255-D258 PolarHBondContact O-N 2.85Å; K255-L259 WeakPolarHBondContact O-CB 3.24Å; K255-L259 PolarHBondContact O-N 2.75Å
256L95.4Very high94.8Very high105 Ų10584.2 Ų84.255%0.5543%0.434SS..Hα-helixtrans-65.9-40.5176.4-68.9173.4000111.5L252 K253 K254 L259 Q260L252-L256 HydrophobicContact CG-CD1 4.35Å; L252-L256 WeakPolarHBondContact O-CG 3.47Å; L252-L256 PolarHBondContact O-N 3.04Å; K253-L256 PolarHBondContact O-N 3.05Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 3.39Å; L256-L259 PolarHBondContact O-N 3.5Å; L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 PolarHBondContact O-N 3.03Å
257S97.1Very high94.4Very high59 Ų5982.1 Ų82.141%0.41343%0.425SS..Hα-helixtrans-64.5-42.1175.3-171.50000112.1K253 K254 Q260 T261K253-S257 WeakPolarHBondContact O-CB 3.47Å; K253-S257 PolarHBondContact O-N 2.95Å; K254-S257 WeakPolarHBondContact O-CB 3.45Å; K254-S257 PolarHBondContact O-N 2.77Å; K254-S257 VanDerWaalsContact O-N 3.12Å; S257-Q260 PolarHBondContact O-N 3.3Å; S257-T261 WeakPolarHBondContact O-CB 3.36Å; S257-T261 PolarHBondContact O-N 3.5Å; S257-T261 PolarHBondContact O-OG1 3.5Å
258D95.9Very high94Very high75 Ų7588.3 Ų88.340%0.40145%0.451SS..Hα-helixtrans-64.1-44.7178.2-67.5-18000110.1K254 K255 Q260 T261 Q262K254-D258 PolarHBondContact O-N 3.13Å; K255-D258 PolarHBondContact O-N 2.85Å; D258-Q260 PolarHBondContact O-N 2.86Å; D258-T261 WeakPolarHBondContact O-CB 3.22Å; D258-T261 PolarHBondContact O-N 2.89Å; D258-Q262 WeakPolarHBondContact O-CG 3.44Å; D258-Q262 PolarHBondContact O-N 2.83Å
259L96.5Very high93.2Very high120 Ų12092.7 Ų92.763%0.62848%0.482SS*.Hα-helixtrans-60.1-45.2175.1-177.165.9000111.9K255 L256 T261 Q262 L263K255-L259 WeakPolarHBondContact O-CB 3.24Å; K255-L259 PolarHBondContact O-N 2.75Å; L256-L259 PolarHBondContact O-N 3.5Å; L259-T261 VanDerWaalsContact C-N 3.27Å; L259-T261 PolarHBondContact O-N 3.34Å; L259-Q262 PolarHBondContact O-N 3.17Å; L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 PolarHBondContact O-N 3.19Å
260Q95.4Very high91.8Very high129 Ų12993.5 Ų93.560%0.60349%0.486SS*.Hα-helixtrans-62.1-37.1176.5-176.3177.93.800111.9L256 S257 D258 S264L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 PolarHBondContact O-N 3.03Å; S257-Q260 PolarHBondContact O-N 3.3Å; D258-Q260 PolarHBondContact O-N 2.86Å; Q260-S264 WeakPolarHBondContact O-CB 3.37Å; Q260-S264 PolarHBondContact O-N 3.48Å; Q260-S264 PolarHBondContact O-OG 3.19Å
261T96.1Very high90.2Very high57 Ų5796.8 Ų96.835%0.3550%0.5SS..Hα-helixtrans-66.1-46.4177.2-55.80000110.7S257 D258 L259 L263 S264 H265S257-T261 WeakPolarHBondContact O-CB 3.36Å; S257-T261 PolarHBondContact O-N 3.5Å; S257-T261 PolarHBondContact O-OG1 3.5Å; D258-T261 WeakPolarHBondContact O-CB 3.22Å; D258-T261 PolarHBondContact O-N 2.89Å; L259-T261 VanDerWaalsContact C-N 3.27Å; L259-T261 PolarHBondContact O-N 3.34Å; T261-L263 PolarHBondContact O-N 2.53Å; T261-S264 WeakPolarHBondContact O-CB 3.3Å; T261-S264 PolarHBondContact O-N 2.8Å; T261-S264 VanDerWaalsContact O-N 3.15Å; T261-H265 PolarHBondContact O-N 3.03Å
262Q94.4Very high88.3Confident120 Ų12099.9 Ų99.956%0.56152%0.515SS*.Hα-helixtrans-63.3-41.6177.2-64.2-52.1-35.900112.2D258 L259 S264 H265 E266D258-Q262 WeakPolarHBondContact O-CG 3.44Å; D258-Q262 PolarHBondContact O-N 2.83Å; L259-Q262 PolarHBondContact O-N 3.17Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 2.86Å; Q262-H265 WeakPolarHBondContact O-CB 3.27Å; Q262-H265 PolarHBondContact O-N 3.13Å; Q262-E266 PolarHBondContact O-N 3.19Å
263L93.4Very high86.5Confident93 Ų93104 Ų10449%0.48754%0.542SS..Hα-helixtrans-59.9-40.5173.4-179.864.9000111.7L259 T261 H265 E266 I267L259-L263 WeakPolarHBondContact O-CB 3.42Å; L259-L263 PolarHBondContact O-N 3.19Å; T261-L263 PolarHBondContact O-N 2.53Å; L263-H265 VanDerWaalsContact C-N 3.34Å; L263-E266 PolarHBondContact O-N 3.25Å; L263-I267 HydrophobicContact CD1-CD1 4.49Å; L263-I267 HydrophobicContact CG-CD1 4.16Å; L263-I267 WeakPolarHBondContact O-CD1 3.5Å; L263-I267 VanDerWaalsContact O-CG1 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.95Å; L263-I267 VanDerWaalsContact O-N 3.08Å
264S92.1Very high85Confident47 Ų47103 Ų10333%0.32954%0.542SS..Hα-helixtrans-66.5-36.9177.7-56.60000112.1Q260 T261 Q262 Q268Q260-S264 WeakPolarHBondContact O-CB 3.37Å; Q260-S264 PolarHBondContact O-N 3.48Å; Q260-S264 PolarHBondContact O-OG 3.19Å; T261-S264 WeakPolarHBondContact O-CB 3.3Å; T261-S264 PolarHBondContact O-N 2.8Å; T261-S264 VanDerWaalsContact O-N 3.15Å; Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 2.86Å; S264-Q268 VanDerWaalsContact O-CG 3.31Å; S264-Q268 WeakPolarHBondContact O-CG 3.45Å; S264-Q268 PolarHBondContact O-N 3.05Å
265H92.3Very high82.9Confident94 Ų94107.1 Ų107.144%0.43557%0.571SS.*Hα-helixtrans-65-43.7173.6-67.9169.5000111.6T261 Q262 L263 I267 Q268 S269T261-H265 PolarHBondContact O-N 3.03Å; Q262-H265 WeakPolarHBondContact O-CB 3.27Å; Q262-H265 PolarHBondContact O-N 3.13Å; L263-H265 VanDerWaalsContact C-N 3.34Å; H265-I267 PolarHBondContact O-N 2.96Å; H265-Q268 PolarHBondContact O-N 2.96Å; H265-Q268 VanDerWaalsContact O-N 3.07Å; H265-S269 WeakPolarHBondContact O-CB 3.4Å; H265-S269 PolarHBondContact O-N 2.97Å; H265-S269 PolarHBondContact O-OG 3.44Å; H265-S269 VanDerWaalsContact O-OG 3.05Å
266E89.9Confident82.3Confident113 Ų113107.8 Ų107.853%0.52858%0.579SS.*Hα-helixtrans-59-46178.2-171.6175.1-171.100111.5Q262 L263 Q268 S269 D270Q262-E266 PolarHBondContact O-N 3.19Å; L263-E266 PolarHBondContact O-N 3.25Å; E266-Q268 PolarHBondContact O-N 3.01Å; E266-S269 WeakPolarHBondContact CA-OG 3.29Å; E266-S269 PolarHBondContact O-N 3.18Å; E266-S269 PolarHBondContact O-OG 2.86Å; E266-D270 PolarHBondContact O-N 3.33Å
267I87.6Confident81.6Confident89 Ų89107.9 Ų107.946%0.45658%0.581SS.*Hα-helixtrans-59.7-32.4175.8-67164.5000112.2L263 H265 L272L263-I267 HydrophobicContact CD1-CD1 4.49Å; L263-I267 HydrophobicContact CG-CD1 4.16Å; L263-I267 WeakPolarHBondContact O-CD1 3.5Å; L263-I267 VanDerWaalsContact O-CG1 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.95Å; L263-I267 VanDerWaalsContact O-N 3.08Å; H265-I267 PolarHBondContact O-N 2.96Å; I267-L272 HydrophobicContact CG1-CD1 4.14Å
268Q85.2Confident80.7Confident152 Ų152110.7 Ų110.771%0.7159%0.59SS**Hα-helixtrans-83-34.1179.3-70.8174.29.600112.8S264 H265 E266S264-Q268 VanDerWaalsContact O-CG 3.31Å; S264-Q268 WeakPolarHBondContact O-CG 3.45Å; S264-Q268 PolarHBondContact O-N 3.05Å; H265-Q268 PolarHBondContact O-N 2.96Å; H265-Q268 VanDerWaalsContact O-N 3.07Å; E266-Q268 PolarHBondContact O-N 3.01Å
269S79.6Confident79.8Confident93 Ų93112.8 Ų112.865%0.6560%0.601SS**Hα-helixtrans-83-39.4-177.457.40000113.2H265 E266H265-S269 WeakPolarHBondContact O-CB 3.4Å; H265-S269 PolarHBondContact O-N 2.97Å; H265-S269 PolarHBondContact O-OG 3.44Å; H265-S269 VanDerWaalsContact O-OG 3.05Å; E266-S269 WeakPolarHBondContact CA-OG 3.29Å; E266-S269 PolarHBondContact O-N 3.18Å; E266-S269 PolarHBondContact O-OG 2.86Å
270D64.7Low78.8Confident91 Ų91112.3 Ų112.349%0.48760%0.599SS.*SBendtrans-112.3111.2173.1-98.1-30.5000107E266 L272E266-D270 PolarHBondContact O-N 3.33Å; D270-L272 PolarHBondContact O-N 3.17Å
271V61.8Low77.7Confident128 Ų128111.2 Ų111.278%0.77660%0.599SS**  trans-67.276.8167.5-179.60000106.9T273V271-T273 VanDerWaalsContact C-N 3.33Å; V271-T273 PolarHBondContact O-N 2.74Å
272L55.9Low76.3Confident105 Ų105115.1 Ų115.155%0.5562%0.617SS.*SBendtrans-3.975.9-177.8-85.2153.1000114.3I267 D270 I274I267-L272 HydrophobicContact CG1-CD1 4.14Å; D270-L272 PolarHBondContact O-N 3.17Å; L272-I274 VanDerWaalsContact C-N 3.32Å; L272-I274 WeakPolarHBondContact CD2-O 3.43Å
273T57.3Low75Confident126 Ų126114.7 Ų114.777%0.77362%0.621SS**  trans-90.90.1165.542.70000112V271V271-T273 VanDerWaalsContact C-N 3.33Å; V271-T273 PolarHBondContact O-N 2.74Å
274I63.8Low73.4Confident139 Ų139116.5 Ų116.571%0.71363%0.632SS**  trans-123.299.3175.1-60.5177.6000106.2L272L272-I274 VanDerWaalsContact C-N 3.32Å; L272-I274 WeakPolarHBondContact CD2-O 3.43Å
275N51Low71.7Confident221 Ų221122.8 Ų122.8100%1.18266%0.66SS**  trans20177-67.4-25.7000119.1

Retrieved 275 of 275 residues in 90.4 ms (Link to these results)

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