A0A096MBZ2_POEFO Loading...

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 , UniProt , Accession A0A096MBZ2, Species POEFO (Poecilia formosa, Amazon molly), 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
1M52Low83.9Confident210 Ų210124.5 Ų124.5100%1.03466%0.656SS**  0135.90-67-168.3-162.400108.1Y3 A4M1-Y3 PolarHBondContact O-N 2.72Å; M1-Y3 VanDerWaalsContact O-N 3.15Å; M1-A4 PolarHBondContact O-N 2.93Å
2P67.3Low84.8Confident120 Ų120121.8 Ų121.878%0.77965%0.648SS**THydrogen-bonded Turntrans-68.4-8.3-176.126.4-32.6000114.5
3Y76.3Confident85.6Confident204 Ų204118.2 Ų118.280%0.863%0.625SS**THydrogen-bonded Turntrans-110.87.2-177.3-52-71.8000114.2M1 N5M1-Y3 PolarHBondContact O-N 2.72Å; M1-Y3 VanDerWaalsContact O-N 3.15Å; Y3-N5 PolarHBondContact O-N 2.86Å
4A79.3Confident86.3Confident70 Ų70116.8 Ų116.858%0.57962%0.617SS**  trans-79.3114.8177.200000109.1M1M1-A4 PolarHBondContact O-N 2.93Å
5N83.1Confident86.7Confident107 Ų107112.7 Ų112.757%0.57260%0.599SS**  trans-64.4142.8173.9-61.1-8.7000109.4Y3 P7 N25Y3-N5 PolarHBondContact O-N 2.86Å; N5-P7 WeakPolarHBondContact O-CD 3.26Å; N5-N25 WeakPolarHBondContact CB-O 3.27Å
6Q87.5Confident86.8Confident172 Ų172115.4 Ų115.480%0.80461%0.613SS**  trans-100.5102.8173.3-68.6177.323.300107.5
7P92.8Very high86.9Confident74 Ų74116.1 Ų116.148%0.48161%0.612SS.*  trans-68.1146.3-17728.6-34.8000110.8N5 I23 E24N5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-I23 HydrophobicContact CB-CG2 4.26Å; P7-E24 VanDerWaalsContact CA-O 3.29Å; P7-E24 WeakPolarHBondContact CA-O 3.48Å
8T94.9Very high87.3Confident65 Ų65111.3 Ų111.340%0.39959%0.587SS.*EExtended strand (participates in β ladder)trans-108.9142.117643.60000109.8I23 E24 N25T8-I23 WeakPolarHBondContact O-CA 3.42Å; T8-E24 PolarHBondContact N-O 2.96Å; T8-E24 PolarHBondContact O-N 2.71Å; T8-E24 WeakPolarHBondContact OG1-CB 3.18Å; T8-N25 PolarHBondContact OG1-ND2 3.03Å
9V95.9Very high87.8Confident98 Ų98105.8 Ų105.859%0.59456%0.559SS**EExtended strand (participates in β ladder)trans-122.5131.6-178.9-177.70000109.2F21 V22 I23V9-F21 HydrophobicContact CG1-CB 4.49Å; V9-F21 HydrophobicContact CG1-CD2 4.34Å; V9-V22 WeakPolarHBondContact CA-O 3.47Å; V9-I23 HydrophobicContact CG2-CG1 4.46Å
10K96.4Very high88.3Confident140 Ų140102.5 Ų102.561%0.60954%0.539SS*.EExtended strand (participates in β ladder)trans-125.5122174.1-176.7-179.9175.6-173.60109.4F21 V22K10-F21 CarbonylContact O-C 3.45Å; K10-F21 WeakPolarHBondContact O-CA 3.39Å; K10-F21 WeakPolarHBondContact O-CB 3.43Å; K10-V22 PolarHBondContact N-O 3.21Å; K10-V22 PolarHBondContact O-N 2.93Å
11I97.1Very high88.7Confident110 Ų11098.1 Ų98.156%0.56452%0.516SS*.EExtended strand (participates in β ladder)trans-84.5128.8174.5-58.7170.5000107.9L14 F21I11-L14 HydrophobicContact CG2-CB 4.45Å; I11-F21 HydrophobicContact CG1-CB 4.41Å
12T95.2Very high90.9Very high91 Ų9188.6 Ų88.656%0.55847%0.469SS*.EExtended strand (participates in β ladder)trans-98.7-42.1179.1-53.20000110.7K20T12-K20 PolarHBondContact N-O 3.49Å
13E95.7Very high92.3Very high76 Ų7683.5 Ų83.536%0.35544%0.435SS..EExtended strand (participates in β ladder)trans-146.4140-176.9-164.9-177.3161.200109.5T15 K20E13-T15 HydrophobicContact CG-CG2 4.28Å; E13-K20 HydrophobicContact CB-CB 3.89Å; E13-K20 HydrophobicContact CB-CD 4.1Å; E13-K20 HydrophobicContact CB-CG 4.14Å; E13-K20 PolarHBondContact N-O 3.45Å; E13-K20 PolarHBondContact O-N 3.49Å; E13-K20 VanDerWaalsContact OE2-CD 3.29Å; E13-K20 WeakPolarHBondContact OE2-CD 3.3Å; E13-K20 WeakPolarHBondContact OE2-CE 3.47Å; E13-K20 IonicContact OE2-NZ 3.61Å; E13-K20 PolarHBondContact OE2-NZ 3.17Å
14L95.1Very high93.2Very high98 Ų9876.2 Ų76.251%0.51341%0.408SS..EExtended strand (participates in β ladder)trans-138.7117.5173.2179.866.5000108.3I11 V19I11-L14 HydrophobicContact CG2-CB 4.45Å; L14-V19 HydrophobicContact CD1-CB 3.98Å; L14-V19 HydrophobicContact CD1-CG2 3.91Å
15T92.7Very high93.8Very high55 Ų5576.3 Ų76.334%0.33740%0.399SS..  trans-123.6176.7172.670.50000109.2E13 E17 N18E13-T15 HydrophobicContact CG-CG2 4.28Å; T15-E17 PolarHBondContact O-N 3.01Å; T15-E17 PolarHBondContact OG1-N 3.25Å; T15-N18 PolarHBondContact N-O 3.31Å; T15-N18 WeakPolarHBondContact OG1-CB 3.44Å; T15-N18 PolarHBondContact OG1-N 2.85Å; T15-N18 PolarHBondContact OG1-O 2.89Å
16D87.6Confident94.4Very high156 Ų15672 Ų7283%0.83438%0.377SS*.SBendtrans-64.6-24.1176.7-66.6-30.5000112.5P241D16-P241 VanDerWaalsContact O-CD 3.3Å; D16-P241 WeakPolarHBondContact O-CD 3.38Å
17E88.8Confident94.7Very high128 Ų12868.4 Ų68.460%0.59836%0.363SS*.SBendtrans-104.5-33.8-177.9-63.6-178.6162.400112.9T15 E234 S235 P241T15-E17 PolarHBondContact O-N 3.01Å; T15-E17 PolarHBondContact OG1-N 3.25Å; E17-E234 CarbonylContact O-C 3.5Å; E17-E234 WeakPolarHBondContact O-CA 3.46Å; E17-S235 PolarHBondContact O-N 2.73Å; E17-P241 VanDerWaalsContact C-CG 3.4Å; E17-P241 VanDerWaalsContact O-CG 3.25Å; E17-P241 WeakPolarHBondContact O-CG 3.34Å
18N93.9Very high94.8Very high30 Ų3067.7 Ų67.716%0.1636%0.355CS..EExtended strand (participates in β ladder)trans-124.2142.2-169.2-67.6-2.7000112.5T15 E234T15-N18 PolarHBondContact N-O 3.31Å; T15-N18 WeakPolarHBondContact OG1-CB 3.44Å; T15-N18 PolarHBondContact OG1-N 2.85Å; T15-N18 PolarHBondContact OG1-O 2.89Å; N18-E234 WeakPolarHBondContact OD1-CB 3.49Å; N18-E234 WeakPolarHBondContact OD1-CG 3.27Å
19V96.9Very high94.9Very high7 Ų768 Ų684%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-124.6113.4163.263.50000110.1L14 F21 V233 P241 V245L14-V19 HydrophobicContact CD1-CB 3.98Å; L14-V19 HydrophobicContact CD1-CG2 3.91Å; V19-F21 HydrophobicContact CG1-CD1 4.41Å; V19-F21 HydrophobicContact CG1-CE1 4.33Å; V19-F21 HydrophobicContact CG2-CD1 4.09Å; V19-V233 HydrophobicContact CG1-CB 3.78Å; V19-V233 HydrophobicContact CG1-CG1 4.49Å; V19-V233 PolarHBondContact N-O 3.5Å; V19-V233 PolarHBondContact O-N 3.29Å; V19-P241 HydrophobicContact CB-CB 3.81Å; V19-P241 HydrophobicContact CG1-CB 3.62Å; V19-V245 HydrophobicContact CG1-CG2 3.96Å
20K97.5Very high94.8Very high39 Ų3966.3 Ų66.317%0.1735%0.354CS..EExtended strand (participates in β ladder)trans-101.5127173.7-61.9-173.7-172.4160.50110.4T12 E13 F231 N232T12-K20 PolarHBondContact N-O 3.49Å; E13-K20 HydrophobicContact CB-CB 3.89Å; E13-K20 HydrophobicContact CB-CD 4.1Å; E13-K20 HydrophobicContact CB-CG 4.14Å; E13-K20 PolarHBondContact N-O 3.45Å; E13-K20 PolarHBondContact O-N 3.49Å; E13-K20 VanDerWaalsContact OE2-CD 3.29Å; E13-K20 WeakPolarHBondContact OE2-CD 3.3Å; E13-K20 WeakPolarHBondContact OE2-CE 3.47Å; E13-K20 IonicContact OE2-NZ 3.61Å; E13-K20 PolarHBondContact OE2-NZ 3.17Å; K20-F231 VanDerWaalsContact CA-O 3.3Å; K20-F231 WeakPolarHBondContact CA-O 3.47Å; K20-N232 HydrophobicContact CD-CB 4.49Å; K20-N232 WeakPolarHBondContact CE-ND2 3.43Å; K20-N232 HydrophobicContact CG-CB 3.84Å; K20-N232 VanDerWaalsContact CG-CG 3.48Å; K20-N232 WeakPolarHBondContact CG-OD1 2.97Å
21F97.5Very high94.8Very high11 Ų1159.6 Ų59.65%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-150.8159.6-179.862.6-86.9000111.7V9 K10 I11 V19 I23 F38 F231 V233 V245V9-F21 HydrophobicContact CG1-CB 4.49Å; V9-F21 HydrophobicContact CG1-CD2 4.34Å; K10-F21 CarbonylContact O-C 3.45Å; K10-F21 WeakPolarHBondContact O-CA 3.39Å; K10-F21 WeakPolarHBondContact O-CB 3.43Å; I11-F21 HydrophobicContact CG1-CB 4.41Å; V19-F21 HydrophobicContact CG1-CD1 4.41Å; V19-F21 HydrophobicContact CG1-CE1 4.33Å; V19-F21 HydrophobicContact CG2-CD1 4.09Å; F21-I23 HydrophobicContact CD2-CD1 4.42Å; F21-I23 HydrophobicContact CD2-CG1 3.87Å; F21-I23 HydrophobicContact CE2-CD1 3.78Å; F21-I23 HydrophobicContact CE2-CG1 3.72Å; F21-F38 HydrophobicContact CZ-CE2 4.19Å; F21-F38 HydrophobicContact CZ-CZ 4.18Å; F21-F231 HydrophobicContact CD1-CB 4.13Å; F21-F231 HydrophobicContact CD2-CB 4.06Å; F21-F231 HydrophobicContact CD2-CD2 4.47Å; F21-F231 HydrophobicContact CE1-CB 3.74Å; F21-F231 HydrophobicContact CE1-CG 4.48Å; F21-F231 HydrophobicContact CE2-CB 3.62Å; F21-F231 AromaticContact CE2-CD2 3.81Å; F21-F231 HydrophobicContact CE2-CD2 3.81Å; F21-F231 AromaticContact CE2-CG 3.75Å; F21-F231 HydrophobicContact CE2-CG 3.75Å; F21-F231 HydrophobicContact CG-CB 4.3Å; F21-F231 HydrophobicContact CZ-CB 3.47Å; F21-F231 VanDerWaalsContact CZ-CB 3.47Å; F21-F231 HydrophobicContact CZ-CD1 4.19Å; F21-F231 HydrophobicContact CZ-CD2 4.27Å; F21-F231 AromaticContact CZ-CG 3.74Å; F21-F231 HydrophobicContact CZ-CG 3.74Å; F21-F231 PolarHBondContact N-O 2.93Å; F21-F231 PolarHBondContact O-N 3.45Å; F21-V233 HydrophobicContact CE1-CG2 3.95Å; F21-V233 HydrophobicContact CZ-CG2 4.36Å; F21-V245 HydrophobicContact CE1-CG2 4.04Å; F21-V245 HydrophobicContact CZ-CG2 4.44Å
22V97.5Very high94.8Very high10 Ų1057.6 Ų57.66%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-115131.1176.3-172.50000108.4V9 K10 E24 F229 Y230V9-V22 WeakPolarHBondContact CA-O 3.47Å; K10-V22 PolarHBondContact N-O 3.21Å; K10-V22 PolarHBondContact O-N 2.93Å; V22-E24 HydrophobicContact CG1-CG 3.88Å; V22-F229 CarbonylContact C-O 3.43Å; V22-F229 WeakPolarHBondContact CA-O 3.3Å; V22-Y230 HydrophobicContact CG1-CD1 4.25Å; V22-Y230 HydrophobicContact CG1-CE1 4.26Å; V22-Y230 HydrophobicContact CG2-CD1 3.57Å; V22-Y230 HydrophobicContact CG2-CE1 3.9Å; V22-Y230 HydrophobicContact CG2-CG 4.5Å
23I96.4Very high94.8Very high12 Ų1255.7 Ų55.76%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-104.3126.9168.3-55.4179.4000107.8P7 T8 V9 F21 T26 L34 F229 F231P7-I23 HydrophobicContact CB-CG2 4.26Å; T8-I23 WeakPolarHBondContact O-CA 3.42Å; V9-I23 HydrophobicContact CG2-CG1 4.46Å; F21-I23 HydrophobicContact CD2-CD1 4.42Å; F21-I23 HydrophobicContact CD2-CG1 3.87Å; F21-I23 HydrophobicContact CE2-CD1 3.78Å; F21-I23 HydrophobicContact CE2-CG1 3.72Å; I23-T26 HydrophobicContact CB-CG2 4.46Å; I23-T26 HydrophobicContact CG2-CG2 3.57Å; I23-L34 HydrophobicContact CD1-CD1 3.92Å; I23-F229 PolarHBondContact N-O 3.16Å; I23-F229 PolarHBondContact O-N 2.69Å; I23-F231 HydrophobicContact CD1-CD2 4.26Å; I23-F231 HydrophobicContact CD1-CE2 3.94Å; I23-F231 HydrophobicContact CG1-CD2 4.37Å; I23-F231 HydrophobicContact CG1-CE2 4.38Å
24E95.2Very high94.8Very high51 Ų5152.8 Ų52.824%0.23829%0.292CS..EExtended strand (participates in β ladder)trans-119.2160.9177.1-49.7-179.6145.800110.6P7 T8 V22 T26 E227 R228P7-E24 VanDerWaalsContact CA-O 3.29Å; P7-E24 WeakPolarHBondContact CA-O 3.48Å; T8-E24 PolarHBondContact N-O 2.96Å; T8-E24 PolarHBondContact O-N 2.71Å; T8-E24 WeakPolarHBondContact OG1-CB 3.18Å; V22-E24 HydrophobicContact CG1-CG 3.88Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 2.93Å; E24-E227 CarbonylContact C-O 3.56Å; E24-E227 VanDerWaalsContact CA-O 3.24Å; E24-E227 WeakPolarHBondContact CA-O 3.3Å; E24-R228 HydrophobicContact CB-CG 4.42Å; E24-R228 HydrophobicContact CG-CB 4.41Å; E24-R228 HydrophobicContact CG-CG 4Å; E24-R228 IonicContact OE1-CZ 3.59Å; E24-R228 IonicContact OE1-NE 2.74Å; E24-R228 PolarHBondContact OE1-NE 3.13Å; E24-R228 IonicContact OE1-NH2 3.76Å; E24-R228 PolarHBondContact OE1-NH2 2.89Å
25N93.3Very high94.9Very high72 Ų7251.9 Ų51.939%0.38528%0.282SS..SBendtrans59.140.1178.4-56.9-59.7000113.6N5 T8 E227N5-N25 WeakPolarHBondContact CB-O 3.27Å; T8-N25 PolarHBondContact OG1-ND2 3.03Å; N25-E227 PolarHBondContact N-O 2.71Å
26T94.3Very high95.1Very high16 Ų1656.8 Ų56.810%0.09830%0.295CS..  trans-130.5170.8176.2-156.90000112I23 E24 A31 F229I23-T26 HydrophobicContact CB-CG2 4.46Å; I23-T26 HydrophobicContact CG2-CG2 3.57Å; E24-T26 VanDerWaalsContact C-N 3.34Å; E24-T26 PolarHBondContact O-N 2.93Å; T26-A31 HydrophobicContact CG2-CB 4.38Å; T26-F229 HydrophobicContact CG2-CD2 3.5Å; T26-F229 HydrophobicContact CG2-CE2 3.46Å; T26-F229 VanDerWaalsContact CG2-CE2 3.46Å; T26-F229 WeakPolarHBondContact O-CE2 3.45Å
27D94.3Very high95.5Very high98 Ų9849.7 Ų49.752%0.52426%0.257SS..  trans-89.5147176.3-62.4-41.8000111A29 V30 A31D27-A29 PolarHBondContact O-N 2.84Å; D27-A29 VanDerWaalsContact O-N 3.13Å; D27-V30 HydrophobicContact CB-CG2 4.31Å; D27-V30 PolarHBondContact O-N 2.8Å; D27-A31 PolarHBondContact O-N 2.86Å
28L95.6Very high95.9Very high59 Ų5943.7 Ų43.731%0.30923%0.228SC..Hα-helixtrans-54.4-33.8173174.261.3000112.3A31 N32 F184 Y186 P226 F229L28-A31 PolarHBondContact O-N 2.89Å; L28-N32 VanDerWaalsContact O-CB 3.26Å; L28-N32 WeakPolarHBondContact O-CB 3.49Å; L28-N32 PolarHBondContact O-N 2.77Å; L28-F184 HydrophobicContact CD1-CE1 4.09Å; L28-F184 HydrophobicContact CD1-CZ 3.73Å; L28-Y186 HydrophobicContact CD1-CD1 4.23Å; L28-Y186 HydrophobicContact CD1-CE1 4.05Å; L28-P226 HydrophobicContact CB-CB 4.4Å; L28-F229 HydrophobicContact CB-CE1 3.93Å; L28-F229 HydrophobicContact CB-CZ 3.99Å; L28-F229 HydrophobicContact CD1-CD1 4.36Å; L28-F229 HydrophobicContact CD1-CE1 3.68Å; L28-F229 HydrophobicContact CG-CE1 4.41Å
29A95.8Very high95.9Very high70 Ų7045.6 Ų45.658%0.57924%0.237SC*.Hα-helixtrans-63.5-40.3176.700000112.4D27 S33D27-A29 PolarHBondContact O-N 2.84Å; D27-A29 VanDerWaalsContact O-N 3.13Å; A29-S33 VanDerWaalsContact O-CB 3.27Å; A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 3.19Å; A29-S33 PolarHBondContact O-OG 2.9Å
30V95Very high95.7Very high63 Ų6346.6 Ų46.638%0.38225%0.245SC..Hα-helixtrans-69.7-48.2177.3176.80000109.7D27 N32 S33 L34D27-V30 HydrophobicContact CB-CG2 4.31Å; D27-V30 PolarHBondContact O-N 2.8Å; V30-N32 PolarHBondContact O-N 2.99Å; V30-S33 WeakPolarHBondContact O-CB 3.49Å; V30-S33 PolarHBondContact O-N 3.3Å; V30-S33 VanDerWaalsContact O-N 3.16Å; V30-L34 HydrophobicContact CG1-CD1 4.34Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 2.88Å
31A96Very high95.6Very high0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-59.1-47.8179.500000111.9T26 D27 L28 S33 L34 R35 F184 F229 F231T26-A31 HydrophobicContact CG2-CB 4.38Å; D27-A31 PolarHBondContact O-N 2.86Å; L28-A31 PolarHBondContact O-N 2.89Å; A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.08Å; A31-L34 PolarHBondContact O-N 3.2Å; A31-R35 PolarHBondContact O-N 2.7Å; A31-F184 HydrophobicContact CB-CE2 3.9Å; A31-F184 HydrophobicContact CB-CZ 4.28Å; A31-F229 HydrophobicContact CB-CB 4.28Å; A31-F229 HydrophobicContact CB-CD1 3.8Å; A31-F229 HydrophobicContact CB-CD2 4Å; A31-F229 HydrophobicContact CB-CE1 4.15Å; A31-F229 HydrophobicContact CB-CE2 4.32Å; A31-F229 HydrophobicContact CB-CG 3.73Å; A31-F229 HydrophobicContact CB-CZ 4.39Å; A31-F231 HydrophobicContact CB-CE2 4.23Å; A31-F231 HydrophobicContact CB-CZ 4.11Å; A31-F231 WeakPolarHBondContact O-CZ 3.15Å
32N96.3Very high95.6Very high67 Ų6745.2 Ų45.236%0.35824%0.239SC..Hα-helixtrans-66.2-34.8176.5-175.541.5000112.5L28 V30 R35 R36L28-N32 VanDerWaalsContact O-CB 3.26Å; L28-N32 WeakPolarHBondContact O-CB 3.49Å; L28-N32 PolarHBondContact O-N 2.77Å; V30-N32 PolarHBondContact O-N 2.99Å; N32-R35 WeakPolarHBondContact O-CB 3.44Å; N32-R35 PolarHBondContact O-N 3.06Å; N32-R36 WeakPolarHBondContact O-CG 3.31Å; N32-R36 PolarHBondContact O-N 3.36Å
33S96.3Very high95.5Very high52 Ų5245.1 Ų45.136%0.36424%0.238SC..Hα-helixtrans-63.4-44.3174.6-63.40000111.3A29 V30 A31 R35 R36 V37A29-S33 VanDerWaalsContact O-CB 3.27Å; A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 3.19Å; A29-S33 PolarHBondContact O-OG 2.9Å; V30-S33 WeakPolarHBondContact O-CB 3.49Å; V30-S33 PolarHBondContact O-N 3.3Å; V30-S33 VanDerWaalsContact O-N 3.16Å; A31-S33 VanDerWaalsContact C-N 3.33Å; A31-S33 PolarHBondContact O-N 3.08Å; S33-R35 PolarHBondContact O-N 3.34Å; S33-R36 PolarHBondContact O-N 3Å; S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.37Å; S33-V37 PolarHBondContact O-N 2.9Å
34L96.1Very high95.5Very high15 Ų1544.7 Ų44.78%0.07924%0.237CC..Hα-helixtrans-59.2-47.1174.4-70.1172.9000111.6I23 V30 A31 R36 V37 F38 L249 L252I23-L34 HydrophobicContact CD1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CD1 4.34Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 2.88Å; A31-L34 PolarHBondContact O-N 3.2Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.37Å; L34-V37 PolarHBondContact O-N 2.83Å; L34-V37 VanDerWaalsContact O-N 3.07Å; L34-F38 HydrophobicContact CB-CE2 4.19Å; L34-F38 HydrophobicContact CB-CZ 4.04Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 VanDerWaalsContact O-CG 3.26Å; L34-F38 WeakPolarHBondContact O-CG 3.33Å; L34-F38 PolarHBondContact O-N 3.3Å; L34-L249 HydrophobicContact CD2-CD2 3.49Å; L34-L249 VanDerWaalsContact CD2-CD2 3.49Å; L34-L249 HydrophobicContact CD2-CG 4.49Å; L34-L252 HydrophobicContact CD2-CD2 3.83Å
35R96.4Very high95.5Very high79 Ų7942.4 Ų42.430%0.29823%0.226SC..Hα-helixtrans-51-46.5174.7-173.6-177.4173.8-90.5-7112.2A31 N32 S33 V182 F231A31-R35 PolarHBondContact O-N 2.7Å; N32-R35 WeakPolarHBondContact O-CB 3.44Å; N32-R35 PolarHBondContact O-N 3.06Å; S33-R35 PolarHBondContact O-N 3.34Å; R35-V182 HydrophobicContact CG-CG1 3.85Å; R35-F231 HydrophobicContact CB-CE1 4Å
36R95.9Very high95.6Very high158 Ų15839.1 Ų39.160%0.59621%0.209SC*.Hα-helixtrans-68.6-37.3-179.8-68.8178.170-164.52.4112.5N32 S33 L34 M39 S40N32-R36 WeakPolarHBondContact O-CG 3.31Å; N32-R36 PolarHBondContact O-N 3.36Å; S33-R36 PolarHBondContact O-N 3Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.37Å; R36-M39 PolarHBondContact O-N 3.18Å; R36-S40 WeakPolarHBondContact O-CB 3.29Å; R36-S40 PolarHBondContact O-N 3.46Å; R36-S40 VanDerWaalsContact O-N 3.1Å; R36-S40 PolarHBondContact O-OG 2.83Å
37V97.2Very high95.8Very high6 Ų638.4 Ų38.44%0.03620%0.204CC..Hα-helixtrans-66.3-42.6177.9174.40000110.3S33 L34 M39 S40 E41 V42 A248 L252S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.37Å; S33-V37 PolarHBondContact O-N 2.9Å; L34-V37 PolarHBondContact O-N 2.83Å; L34-V37 VanDerWaalsContact O-N 3.07Å; V37-M39 PolarHBondContact O-N 2.73Å; V37-S40 PolarHBondContact O-N 2.94Å; V37-E41 HydrophobicContact CG1-CB 4.1Å; V37-E41 PolarHBondContact O-N 3.31Å; V37-V42 PolarHBondContact O-N 3.13Å; V37-A248 HydrophobicContact CB-CB 4.4Å; V37-A248 HydrophobicContact CG1-CB 3.58Å; V37-A248 WeakPolarHBondContact CG1-O 3.49Å; V37-L252 HydrophobicContact CG2-CB 4.5Å; V37-L252 HydrophobicContact CG2-CD1 4.3Å
38F96.4Very high95.9Very high2 Ų236.7 Ų36.71%0.00920%0.195CC..Hα-helixtrans-51.6-43.2176-61.1-35.1000112.1F21 L34 T179 V182 F231 V233 V245 A248F21-F38 HydrophobicContact CZ-CE2 4.19Å; F21-F38 HydrophobicContact CZ-CZ 4.18Å; L34-F38 HydrophobicContact CB-CE2 4.19Å; L34-F38 HydrophobicContact CB-CZ 4.04Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 VanDerWaalsContact O-CG 3.26Å; L34-F38 WeakPolarHBondContact O-CG 3.33Å; L34-F38 PolarHBondContact O-N 3.3Å; F38-T179 HydrophobicContact CB-CG2 4.49Å; F38-V182 HydrophobicContact CB-CG2 4.27Å; F38-V182 HydrophobicContact CD2-CG1 4.21Å; F38-F231 HydrophobicContact CE2-CD1 4.03Å; F38-F231 AromaticContact CE2-CE1 3.96Å; F38-F231 HydrophobicContact CE2-CE1 3.96Å; F38-V233 HydrophobicContact CD2-CG2 3.86Å; F38-V233 HydrophobicContact CE2-CG2 4Å; F38-V233 HydrophobicContact CG-CG2 4.45Å; F38-V245 HydrophobicContact CE1-CB 4.23Å; F38-V245 HydrophobicContact CE1-CG1 4.12Å; F38-V245 HydrophobicContact CE1-CG2 4.15Å; F38-V245 HydrophobicContact CZ-CG1 4.24Å; F38-V245 HydrophobicContact CZ-CG2 4.31Å; F38-A248 HydrophobicContact CD1-CB 3.32Å; F38-A248 HydrophobicContact CE1-CB 3.54Å
39M94Very high95.9Very high70 Ų7038.6 Ų38.635%0.34520%0.198SC..Hα-helixtrans-81.1-36.2-177.1-60.9174.86900114.1R36 V37 N177 V182R36-M39 PolarHBondContact O-N 3.18Å; V37-M39 PolarHBondContact O-N 2.73Å; M39-N177 PolarHBondContact O-OD1 3.45Å; M39-V182 HydrophobicContact CG-CG2 3.92Å
40S93.6Very high96Very high28 Ų2837.2 Ų37.220%0.19618%0.181CC..Hα-helixtrans-120.6-18-159.867.80000116R36 V37 F169 G170 K171R36-S40 WeakPolarHBondContact O-CB 3.29Å; R36-S40 PolarHBondContact O-N 3.46Å; R36-S40 VanDerWaalsContact O-N 3.1Å; R36-S40 PolarHBondContact O-OG 2.83Å; V37-S40 PolarHBondContact O-N 2.94Å; S40-F169 WeakPolarHBondContact O-CD2 3.03Å; S40-G170 PolarHBondContact O-N 2.77Å; S40-K171 WeakPolarHBondContact O-CB 3.44Å; S40-K171 PolarHBondContact O-N 3.15Å
41E95.6Very high96.1Very high22 Ų2237.8 Ų37.810%0.10318%0.179CC..THydrogen-bonded Turntrans-124.6-10.1-171.8-56.8-166.8163.600113.9V37 P43 K171 V251 K255V37-E41 HydrophobicContact CG1-CB 4.1Å; V37-E41 PolarHBondContact O-N 3.31Å; E41-P43 WeakPolarHBondContact O-CD 3.36Å; E41-K171 IonicContact OE1-NZ 3.68Å; E41-K171 PolarHBondContact OE1-NZ 3.41Å; E41-V251 HydrophobicContact CB-CG1 3.95Å; E41-K255 IonicContact OE1-NZ 3.78Å; E41-K255 PolarHBondContact OE1-NZ 2.8Å; E41-K255 WeakPolarHBondContact OE2-CD 3.48Å; E41-K255 WeakPolarHBondContact OE2-CE 3.44Å; E41-K255 IonicContact OE2-NZ 2.83Å; E41-K255 PolarHBondContact OE2-NZ 3.48Å
42V96.1Very high96.2Very high0 Ų040 Ų400%019%0.191CC..SBendtrans-67.8122.6169.4174.10000108.7V37 P178 L239 I244 A248V37-V42 PolarHBondContact O-N 3.13Å; V42-P178 HydrophobicContact CB-CG 3.74Å; V42-P178 HydrophobicContact CG1-CB 4.34Å; V42-P178 HydrophobicContact CG1-CG 3.76Å; V42-L239 HydrophobicContact CG1-CD1 3.83Å; V42-I244 HydrophobicContact CG2-CG2 4.24Å; V42-A248 HydrophobicContact CG2-CB 3.57Å
43P95.8Very high96.2Very high7 Ų740.1 Ų40.15%0.04519%0.191CC..EExtended strand (participates in β ladder)trans-74.2144-179.130.3-34.4000111.3E41 V79 K167 G168E41-P43 WeakPolarHBondContact O-CD 3.36Å; P43-V79 HydrophobicContact CB-CG2 4.01Å; P43-V79 HydrophobicContact CG-CG2 4.2Å; P43-V79 WeakPolarHBondContact O-CG2 3.43Å; P43-K167 HydrophobicContact CB-CG 4.29Å; P43-G168 CarbonylContact C-O 3.49Å; P43-G168 WeakPolarHBondContact CA-O 3.39Å
44T95.7Very high96.2Very high4 Ų438.7 Ų38.73%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-139.9169.9175.555.90000110.4K167 G168 W176 P178 L239T44-K167 WeakPolarHBondContact O-CA 3.39Å; T44-G168 PolarHBondContact N-O 2.85Å; T44-G168 PolarHBondContact O-N 2.91Å; T44-W176 WeakPolarHBondContact OG1-CA 3.29Å; T44-W176 WeakPolarHBondContact OG1-CB 3.35Å; T44-W176 PolarHBondContact OG1-O 3.5Å; T44-P178 HydrophobicContact CG2-CB 3.54Å; T44-P178 HydrophobicContact CG2-CG 4.05Å; T44-L239 HydrophobicContact CG2-CD1 3.79Å; T44-L239 HydrophobicContact CG2-CG 4.3Å
45I95.8Very high96.3Very high2 Ų239.9 Ų39.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-107.5125.9174.5-60.3172.5000108.3L73 I78 V79 M82 V127 A165 K166I45-L73 HydrophobicContact CG2-CD1 4.26Å; I45-I78 HydrophobicContact CD1-CB 4.2Å; I45-I78 HydrophobicContact CD1-CG2 3.88Å; I45-V79 HydrophobicContact CD1-CB 4.48Å; I45-V79 HydrophobicContact CG1-CB 4.46Å; I45-V79 HydrophobicContact CG1-CG2 4.43Å; I45-M82 HydrophobicContact CD1-SD 3.61Å; I45-M82 HydrophobicContact CG1-SD 3.85Å; I45-V127 HydrophobicContact CD1-CG2 4.32Å; I45-V127 HydrophobicContact CG2-CG1 4.2Å; I45-A165 HydrophobicContact CG2-CB 3.66Å; I45-K166 WeakPolarHBondContact CA-O 3.43Å
46A96.6Very high96.3Very high3 Ų338.7 Ų38.73%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-141.5159.7174.500000110.4D48 A165 K166 K175 W176A46-D48 PolarHBondContact O-N 3.44Å; A46-A165 CarbonylContact O-C 3.58Å; A46-A165 VanDerWaalsContact O-CA 3.25Å; A46-A165 WeakPolarHBondContact O-CA 3.44Å; A46-K166 PolarHBondContact N-O 3.17Å; A46-K166 PolarHBondContact O-N 2.91Å; A46-K175 HydrophobicContact CB-CB 4.44Å; A46-K175 HydrophobicContact CB-CD 4.31Å; A46-K175 HydrophobicContact CB-CG 3.98Å; A46-W176 HydrophobicContact CB-CG 4.29Å
47I97Very high96.3Very high1 Ų132 Ų321%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-68.1127.3178.9-62.3173.3000109.4I50 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 3.51Å; I47-V68 HydrophobicContact CG2-CG1 4.19Å; I47-L73 HydrophobicContact CG1-CD1 4.04Å; I47-L101 HydrophobicContact CG1-CD1 4.32Å; I47-L120 HydrophobicContact CD1-CD2 3.84Å; I47-A163 HydrophobicContact CD1-CB 4.2Å; I47-A163 HydrophobicContact CG1-CB 4.48Å; I47-A163 HydrophobicContact CG2-CB 3.73Å; I47-A165 HydrophobicContact CG1-CB 4.27Å; I47-K175 PolarHBondContact O-NZ 2.74Å
48D96.8Very high96.3Very high62 Ų6237.1 Ų37.133%0.33220%0.201SC..EExtended strand (participates in β ladder)trans-121.1-35.1-175.8-168.957.3000113.6A46 Y164 K166 K175 W176A46-D48 PolarHBondContact O-N 3.44Å; D48-Y164 PolarHBondContact N-O 3.36Å; D48-K166 HydrophobicContact CB-CB 4.18Å; D48-K166 HydrophobicContact CB-CD 3.96Å; D48-K166 HydrophobicContact CB-CG 4.1Å; D48-K166 WeakPolarHBondContact OD2-CD 3.28Å; D48-K166 IonicContact OD2-NZ 3.62Å; D48-K166 PolarHBondContact OD2-NZ 2.95Å; D48-K175 IonicContact OD1-NZ 3.57Å; D48-K175 PolarHBondContact OD1-NZ 2.69Å; D48-W176 HydrophobicContact CB-CZ2 4.22Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.3Å
49W96.3Very high96.3Very high99 Ų9939.4 Ų39.438%0.37521%0.213SC..EExtended strand (participates in β ladder)trans-120.2133.8178.9-161.192.4000110Q51 F93 A163 Y164W49-Q51 HydrophobicContact CE3-CB 4.06Å; W49-Q51 HydrophobicContact CH2-CB 3.54Å; W49-Q51 HydrophobicContact CH2-CG 4.31Å; W49-Q51 HydrophobicContact CZ3-CB 3.2Å; W49-Q51 HydrophobicContact CZ3-CG 4.3Å; W49-F93 HydrophobicContact CB-CE1 4.4Å; W49-F93 HydrophobicContact CB-CZ 3.96Å; W49-F93 HydrophobicContact CD2-CE2 4.23Å; W49-F93 AromaticContact CD2-CZ 3.98Å; W49-F93 HydrophobicContact CD2-CZ 3.98Å; W49-F93 HydrophobicContact CE3-CE2 4.43Å; W49-F93 HydrophobicContact CE3-CZ 4.5Å; W49-F93 HydrophobicContact CG-CE2 4.47Å; W49-F93 AromaticContact CG-CZ 3.75Å; W49-F93 HydrophobicContact CG-CZ 3.75Å; W49-A163 CarbonylContact O-C 3.5Å; W49-A163 VanDerWaalsContact O-CA 3.23Å; W49-A163 WeakPolarHBondContact O-CA 3.46Å; 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 3.93Å; W49-Y164 HydrophobicContact CE3-CE2 3.93Å; W49-Y164 HydrophobicContact CZ3-CD2 4Å; W49-Y164 AromaticContact CZ3-CE2 3.87Å; W49-Y164 HydrophobicContact CZ3-CE2 3.87Å; W49-Y164 PolarHBondContact N-O 3.25Å; W49-Y164 VanDerWaalsContact N-O 3.17Å; W49-Y164 PolarHBondContact O-N 3.5Å
50I97.3Very high96.5Very high41 Ų4140.6 Ų40.621%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-135.1122.6-177.8-58.8172.6000108.2I47 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 3.91Å; I50-A65 VanDerWaalsContact CD1-O 3.3Å; I50-A65 WeakPolarHBondContact CD1-O 3.49Å; I50-V68 HydrophobicContact CD1-CB 3.84Å; I50-V68 HydrophobicContact CD1-CG1 3.77Å; I50-V68 HydrophobicContact CG1-CG1 4.5Å; I50-L161 HydrophobicContact CG2-CB 4.4Å; I50-L161 HydrophobicContact CG2-CD2 4.37Å; I50-R162 CarbonylContact C-O 3.56Å; I50-R162 WeakPolarHBondContact CA-O 3.4Å; I50-A163 HydrophobicContact CG1-CB 4.3Å
51Q97.1Very high96.7Very high75 Ų7543 Ų4335%0.3523%0.228SC..EExtended strand (participates in β ladder)trans-107.8120.4170.5166.9175.91.800109.2W49 D53 L161 R162W49-Q51 HydrophobicContact CE3-CB 4.06Å; W49-Q51 HydrophobicContact CH2-CB 3.54Å; W49-Q51 HydrophobicContact CH2-CG 4.31Å; W49-Q51 HydrophobicContact CZ3-CB 3.2Å; W49-Q51 HydrophobicContact CZ3-CG 4.3Å; Q51-D53 PolarHBondContact NE2-OD1 3.23Å; Q51-L161 CarbonylContact O-C 3.57Å; Q51-L161 WeakPolarHBondContact O-CA 3.48Å; Q51-L161 VanDerWaalsContact O-CB 3.31Å; Q51-L161 WeakPolarHBondContact O-CB 3.24Å; Q51-R162 PolarHBondContact N-O 2.88Å; Q51-R162 PolarHBondContact O-N 2.54Å
52I97.5Very high96.7Very high48 Ų4848 Ų4825%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-96.2115.3176.2-65.1169.8000107.5I50 N55 D61 L161I50-I52 HydrophobicContact CG2-CG1 4.18Å; I52-N55 HydrophobicContact CG2-CB 3.73Å; I52-D61 HydrophobicContact CD1-CB 3.61Å; I52-L161 HydrophobicContact CG1-CB 4.16Å
53D97.1Very high96.8Very high69 Ų6951.9 Ų51.937%0.36927%0.269SS..EExtended strand (participates in β ladder)trans-84.2-36.7176.2-70-29.2000110.6Q51 R160 R162Q51-D53 PolarHBondContact NE2-OD1 3.23Å; D53-R160 HydrophobicContact CB-CB 4.27Å; D53-R160 HydrophobicContact CB-CG 4.13Å; D53-R160 PolarHBondContact N-O 3.05Å; D53-R162 IonicContact OD2-NE 3.29Å
54A97Very high96.8Very high21 Ų2151.6 Ų51.617%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-151.8128.917600000110.8L159 R160A54-L159 CarbonylContact O-C 3.56Å; A54-L159 WeakPolarHBondContact O-CA 3.25Å; A54-R160 HydrophobicContact CB-CB 4.27Å; A54-R160 PolarHBondContact N-O 3.04Å; A54-R160 PolarHBondContact O-N 3.04Å
55N97.5Very high96.9Very high41 Ų4152.9 Ų52.922%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-133.1111168.9-18016.5000109.5I52 S57 L59 D61 L159I52-N55 HydrophobicContact CG2-CB 3.73Å; N55-S57 WeakPolarHBondContact OD1-CB 3.34Å; N55-S57 PolarHBondContact OD1-N 3.37Å; N55-S57 PolarHBondContact OD1-OG 3.39Å; N55-L59 PolarHBondContact ND2-O 2.82Å; N55-D61 VanDerWaalsContact CB-OD1 3.29Å; N55-D61 WeakPolarHBondContact CB-OD1 3.47Å; N55-D61 PolarHBondContact ND2-OD1 2.99Å; N55-L159 HydrophobicContact CB-CD1 4.1Å
56S96.9Very high96.9Very high53 Ų5358.1 Ų58.137%0.37130%0.302SS..  trans-116.216.8170.157.10000111.9Q157 E158S56-Q157 VanDerWaalsContact O-CG 3.3Å; S56-Q157 WeakPolarHBondContact O-CG 3.44Å; S56-Q157 PolarHBondContact O-NE2 2.78Å; S56-E158 PolarHBondContact N-O 2.52Å; S56-E158 WeakPolarHBondContact OG-CG 3.28Å; S56-E158 PolarHBondContact OG-N 3.32Å; S56-E158 PolarHBondContact OG-O 3.46Å
57S96.1Very high96.9Very high17 Ų1762.3 Ų62.312%0.11932%0.317CS..SBendtrans-69.4172.1173.584.20000111.2N55 L59N55-S57 WeakPolarHBondContact OD1-CB 3.34Å; N55-S57 PolarHBondContact OD1-N 3.37Å; N55-S57 PolarHBondContact OD1-OG 3.39Å; S57-L59 VanDerWaalsContact C-N 3.26Å; S57-L59 PolarHBondContact OG-N 2.89Å; S57-L59 PolarHBondContact OG-O 2.92Å
58V96.3Very high96.9Very high114 Ų11462.3 Ų62.369%0.69132%0.317SS*.SBendtrans-77.5-11.9174.4-72.70000113.4
59L96.9Very high96.8Very high50 Ų5059.7 Ų59.726%0.26231%0.305SS..SBendtrans-97.7140.6-178.3-61178.6000109.8N55 S57 F63 I64 V151N55-L59 PolarHBondContact ND2-O 2.82Å; S57-L59 VanDerWaalsContact C-N 3.26Å; S57-L59 PolarHBondContact OG-N 2.89Å; S57-L59 PolarHBondContact OG-O 2.92Å; L59-F63 HydrophobicContact CB-CD1 4.47Å; L59-F63 HydrophobicContact CD1-CD1 3.87Å; L59-F63 HydrophobicContact CD1-CE1 4.2Å; L59-F63 HydrophobicContact CD2-CD1 4.18Å; L59-F63 HydrophobicContact CD2-CE1 4.38Å; L59-F63 HydrophobicContact CG-CD1 4.4Å; L59-I64 HydrophobicContact CB-CD1 3.84Å; L59-I64 HydrophobicContact CB-CG1 4.12Å; L59-I64 HydrophobicContact CD1-CD1 3.79Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; L59-V151 HydrophobicContact CD1-CB 4.02Å; L59-V151 HydrophobicContact CD1-CG2 3.62Å; L59-V151 HydrophobicContact CG-CG2 4.01Å
60H97.1Very high96.8Very high95 Ų9558.9 Ų58.944%0.4431%0.307SS..  trans-70.2156.7175.356.3-103.3000111.3E62 F63 I64H60-E62 WeakPolarHBondContact CD2-CG 3.39Å; H60-E62 IonicContact CD2-OE1 3.45Å; H60-E62 PolarHBondContact CD2-OE1 3.19Å; H60-E62 IonicContact CD2-OE2 3.17Å; H60-E62 PolarHBondContact CD2-OE2 3.42Å; H60-E62 IonicContact CG-OE1 2.77Å; H60-E62 IonicContact CG-OE2 2.76Å; H60-E62 IonicContact NE2-OE1 2.83Å; H60-E62 PolarHBondContact O-N 3.17Å; H60-F63 VanDerWaalsContact CD2-CB 3.49Å; H60-F63 WeakPolarHBondContact CD2-CB 3.26Å; H60-F63 PolarHBondContact CD2-N 3.29Å; H60-F63 AromaticContact CE1-CD2 3.93Å; H60-F63 WeakPolarHBondContact NE2-CB 3.31Å; H60-F63 AromaticContact NE2-CD2 3.78Å; H60-F63 WeakPolarHBondContact O-CB 3.3Å; H60-F63 PolarHBondContact O-N 3.09Å; H60-F63 VanDerWaalsContact O-N 3.08Å; H60-I64 PolarHBondContact O-N 2.86Å
61D97.4Very high96.7Very high78 Ų7857 Ų5742%0.41730%0.298SS..Hα-helixtrans-57-46.2-170.3-70.5-13.3000112.5I52 N55 F63 I64 A65I52-D61 HydrophobicContact CD1-CB 3.61Å; N55-D61 VanDerWaalsContact CB-OD1 3.29Å; N55-D61 WeakPolarHBondContact CB-OD1 3.47Å; N55-D61 PolarHBondContact ND2-OD1 2.99Å; D61-F63 VanDerWaalsContact C-N 3.26Å; D61-F63 PolarHBondContact O-N 3.41Å; D61-I64 PolarHBondContact O-N 3.01Å; D61-A65 WeakPolarHBondContact O-CB 3.33Å; D61-A65 PolarHBondContact O-N 2.92Å
62E97.1Very high96.5Very high128 Ų12855 Ų5560%0.59829%0.291SS*.Hα-helixtrans-66.7-25.8-179.166.4-79.3-169.400113H60 H66H60-E62 WeakPolarHBondContact CD2-CG 3.39Å; H60-E62 IonicContact CD2-OE1 3.45Å; H60-E62 PolarHBondContact CD2-OE1 3.19Å; H60-E62 IonicContact CD2-OE2 3.17Å; H60-E62 PolarHBondContact CD2-OE2 3.42Å; H60-E62 IonicContact CG-OE1 2.77Å; H60-E62 IonicContact CG-OE2 2.76Å; H60-E62 IonicContact NE2-OE1 2.83Å; H60-E62 PolarHBondContact O-N 3.17Å; E62-H66 WeakPolarHBondContact O-CB 3.24Å; E62-H66 PolarHBondContact O-N 2.82Å
63F97.4Very high96.3Very high82 Ų8252.7 Ų52.736%0.3628%0.279SS..Hα-helixtrans-70.7-45.1174-155-100.6000110.9L59 H60 D61 A65 H66 R67L59-F63 HydrophobicContact CB-CD1 4.47Å; L59-F63 HydrophobicContact CD1-CD1 3.87Å; L59-F63 HydrophobicContact CD1-CE1 4.2Å; L59-F63 HydrophobicContact CD2-CD1 4.18Å; L59-F63 HydrophobicContact CD2-CE1 4.38Å; L59-F63 HydrophobicContact CG-CD1 4.4Å; H60-F63 VanDerWaalsContact CD2-CB 3.49Å; H60-F63 WeakPolarHBondContact CD2-CB 3.26Å; H60-F63 PolarHBondContact CD2-N 3.29Å; H60-F63 AromaticContact CE1-CD2 3.93Å; H60-F63 WeakPolarHBondContact NE2-CB 3.31Å; H60-F63 AromaticContact NE2-CD2 3.78Å; H60-F63 WeakPolarHBondContact O-CB 3.3Å; H60-F63 PolarHBondContact O-N 3.09Å; H60-F63 VanDerWaalsContact O-N 3.08Å; D61-F63 VanDerWaalsContact C-N 3.26Å; D61-F63 PolarHBondContact O-N 3.41Å; F63-A65 VanDerWaalsContact C-N 3.32Å; F63-H66 PolarHBondContact O-N 2.8Å; F63-R67 HydrophobicContact CD1-CG 4.2Å; F63-R67 HydrophobicContact CE1-CG 4.22Å; F63-R67 WeakPolarHBondContact O-CG 2.93Å; F63-R67 PolarHBondContact O-N 2.69Å
64I96.4Very high96.1Very high1 Ų149.8 Ų49.81%0.00526%0.264CS..Hα-helixtrans-63.3-45.3177.1-62.9-60.9000109L59 H60 D61 H66 R67 V68 V151 L159 L161L59-I64 HydrophobicContact CB-CD1 3.84Å; L59-I64 HydrophobicContact CB-CG1 4.12Å; L59-I64 HydrophobicContact CD1-CD1 3.79Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; H60-I64 PolarHBondContact O-N 2.86Å; D61-I64 PolarHBondContact O-N 3.01Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 3.13Å; I64-R67 PolarHBondContact O-N 3.32Å; I64-V68 HydrophobicContact CG2-CG2 4.08Å; I64-V68 WeakPolarHBondContact O-CB 3.35Å; I64-V68 VanDerWaalsContact O-CG2 3.26Å; I64-V68 WeakPolarHBondContact O-CG2 3.16Å; I64-V68 PolarHBondContact O-N 2.79Å; I64-V151 HydrophobicContact CD1-CB 3.85Å; I64-V151 HydrophobicContact CD1-CG1 4.26Å; I64-V151 HydrophobicContact CD1-CG2 4.24Å; I64-L159 HydrophobicContact CG2-CD1 4.45Å; I64-L159 HydrophobicContact CG2-CD2 4.19Å; I64-L161 HydrophobicContact CG2-CD2 3.87Å
65A97.1Very high95.5Very high31 Ų3148.8 Ų48.826%0.25626%0.256SS..Hα-helixtrans-57.9-44.8177.100000112I50 D61 F63 V68 G69I50-A65 HydrophobicContact CD1-CB 3.91Å; I50-A65 VanDerWaalsContact CD1-O 3.3Å; I50-A65 WeakPolarHBondContact CD1-O 3.49Å; D61-A65 WeakPolarHBondContact O-CB 3.33Å; D61-A65 PolarHBondContact O-N 2.92Å; F63-A65 VanDerWaalsContact C-N 3.32Å; A65-V68 PolarHBondContact O-N 3.23Å; A65-G69 PolarHBondContact O-N 2.8Å
66H97.3Very high94.9Very high112 Ų11247.7 Ų47.752%0.51925%0.25SS..Hα-helixtrans-60.9-47.7176175.6-89.8000112.3E62 F63 I64 G69 L70E62-H66 WeakPolarHBondContact O-CB 3.24Å; E62-H66 PolarHBondContact O-N 2.82Å; F63-H66 PolarHBondContact O-N 2.8Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 3.13Å; H66-G69 PolarHBondContact O-N 3.07Å; H66-L70 WeakPolarHBondContact CE1-CD1 3.4Å; H66-L70 WeakPolarHBondContact O-CG 3.32Å; H66-L70 PolarHBondContact O-N 2.96Å
67R96.1Very high94.2Very high91 Ų9149.4 Ų49.434%0.34326%0.255SS..Hα-helixtrans-63.4-45.1179.2-69.3-175.977.882.83112F63 I64 G69 L70 L149 L150F63-R67 HydrophobicContact CD1-CG 4.2Å; F63-R67 HydrophobicContact CE1-CG 4.22Å; F63-R67 WeakPolarHBondContact O-CG 2.93Å; F63-R67 PolarHBondContact O-N 2.69Å; I64-R67 PolarHBondContact O-N 3.32Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 3.23Å; R67-L70 PolarHBondContact O-N 3.49Å; R67-L149 PolarHBondContact NE-O 2.93Å; R67-L149 PolarHBondContact NH2-O 2.98Å; R67-L150 WeakPolarHBondContact CD-O 3.33Å; R67-L150 PolarHBondContact NE-O 3.13Å; R67-L150 VanDerWaalsContact NE-O 3.13Å
68V95.6Very high93.7Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-64.4-38.9178.8172.50000110.8I47 I50 I64 A65 L70 I71 L150 L161I47-V68 HydrophobicContact CD1-CG1 3.51Å; I47-V68 HydrophobicContact CG2-CG1 4.19Å; I50-V68 HydrophobicContact CD1-CB 3.84Å; I50-V68 HydrophobicContact CD1-CG1 3.77Å; I50-V68 HydrophobicContact CG1-CG1 4.5Å; I64-V68 HydrophobicContact CG2-CG2 4.08Å; I64-V68 WeakPolarHBondContact O-CB 3.35Å; I64-V68 VanDerWaalsContact O-CG2 3.26Å; I64-V68 WeakPolarHBondContact O-CG2 3.16Å; I64-V68 PolarHBondContact O-N 2.79Å; A65-V68 PolarHBondContact O-N 3.23Å; V68-L70 PolarHBondContact O-N 2.79Å; V68-I71 HydrophobicContact CB-CD1 4.48Å; V68-I71 HydrophobicContact CG1-CD1 4.41Å; V68-I71 WeakPolarHBondContact O-CG1 3.48Å; V68-I71 PolarHBondContact O-N 2.82Å; V68-L150 HydrophobicContact CG2-CD1 4.22Å; V68-L150 HydrophobicContact CG2-CD2 4.49Å; V68-L161 HydrophobicContact CG2-CD2 4.44Å
69G96.2Very high93.3Very high8 Ų844.5 Ų44.58%0.08222%0.223CC..Hα-helixtrans-61.3-24.4175.900000114.8A65 H66 R67 K175A65-G69 PolarHBondContact O-N 2.8Å; H66-G69 PolarHBondContact O-N 3.07Å; R67-G69 VanDerWaalsContact C-N 3.31Å; R67-G69 PolarHBondContact O-N 3.23Å; G69-K175 WeakPolarHBondContact O-CB 3.12Å
70L95.9Very high92.9Very high81 Ų8147.6 Ų47.642%0.42424%0.24SC..THydrogen-bonded Turntrans-96.31.6-179.4-67.2176.9000114H66 R67 V68 P72 K175H66-L70 WeakPolarHBondContact CE1-CD1 3.4Å; H66-L70 WeakPolarHBondContact O-CG 3.32Å; H66-L70 PolarHBondContact O-N 2.96Å; R67-L70 PolarHBondContact O-N 3.49Å; V68-L70 PolarHBondContact O-N 2.79Å; L70-P72 WeakPolarHBondContact O-CD 3.48Å; L70-K175 HydrophobicContact CD2-CB 3.83Å
71I94.7Very high92.5Very high2 Ų250.1 Ų50.11%0.0125%0.25CS..SBendtrans-69.5122.4174.7-59.1171.3000108.4V68 L73 L120 P129 I148 L150V68-I71 HydrophobicContact CB-CD1 4.48Å; V68-I71 HydrophobicContact CG1-CD1 4.41Å; V68-I71 WeakPolarHBondContact O-CG1 3.48Å; V68-I71 PolarHBondContact O-N 2.82Å; I71-L73 PolarHBondContact O-N 3.44Å; I71-L120 HydrophobicContact CD1-CD2 4.26Å; I71-P129 HydrophobicContact CG2-CB 3.99Å; I71-P129 HydrophobicContact CG2-CG 4.33Å; I71-I148 HydrophobicContact CG2-CD1 4.27Å; I71-L150 HydrophobicContact CD1-CD1 4.06Å; I71-L150 HydrophobicContact CD1-CD2 3.48Å; I71-L150 VanDerWaalsContact CD1-CD2 3.48Å; I71-L150 HydrophobicContact CD1-CG 4.37Å; I71-L150 HydrophobicContact CG1-CD2 3.94Å
72P93.5Very high92.2Very high32 Ų3246.9 Ų46.921%0.20823%0.233CC..  trans-69.5130.8176.229.7-33.6000109.8L70 P129 V130 I148 S238L70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-P129 WeakPolarHBondContact O-CA 3.29Å; P72-V130 HydrophobicContact CB-CB 4.46Å; P72-V130 HydrophobicContact CB-CG2 3.84Å; P72-V130 HydrophobicContact CG-CB 4.21Å; P72-V130 HydrophobicContact CG-CG2 4.13Å; P72-V130 PolarHBondContact O-N 3Å; P72-V130 VanDerWaalsContact O-N 3.09Å; P72-I148 HydrophobicContact CG-CD1 4.22Å; P72-S238 VanDerWaalsContact CB-OG 3.31Å; P72-S238 WeakPolarHBondContact CB-OG 3.42Å
73L93.4Very high92Very high0 Ų045.1 Ų45.10%022%0.224CC..BIsolated β-bridgetrans-107.5143.6175.4-60.8178.5000110.5I45 I47 I71 S75 L101 V127 P129 A165 S238I45-L73 HydrophobicContact CG2-CD1 4.26Å; I47-L73 HydrophobicContact CG1-CD1 4.04Å; I71-L73 PolarHBondContact O-N 3.44Å; L73-S75 PolarHBondContact O-N 3.23Å; L73-L101 HydrophobicContact CD1-CD1 4.37Å; L73-L101 HydrophobicContact CD2-CD2 4.08Å; L73-V127 HydrophobicContact CB-CG1 4.19Å; L73-V127 HydrophobicContact CD1-CG1 4.14Å; L73-P129 HydrophobicContact CD2-CG 4.15Å; L73-A165 HydrophobicContact CD1-CB 3.6Å; L73-S238 PolarHBondContact N-OG 3.15Å; L73-S238 VanDerWaalsContact O-CA 3.29Å; L73-S238 WeakPolarHBondContact O-CA 3.23Å; L73-S238 WeakPolarHBondContact O-CB 2.97Å; L73-S238 PolarHBondContact O-OG 3.06Å
74T91.8Very high91.9Very high8 Ų843.4 Ų43.45%0.04922%0.216CC..  trans-63.9128.5170.3-63.20000110.2R126 I128 R133T74-R126 WeakPolarHBondContact CG2-O 3.31Å; T74-I128 WeakPolarHBondContact CB-O 3.13Å; T74-I128 PolarHBondContact N-O 3.43Å; T74-I128 PolarHBondContact OG1-O 2.7Å; T74-I128 VanDerWaalsContact OG1-O 3.14Å; T74-R133 PolarHBondContact OG1-NE 2.83Å
75S85.9Confident91.7Very high1 Ų145.6 Ų45.61%0.00723%0.231CC..  trans-136.7-0.2-172.859.70000116.4L73 D77 I78 V79 S238 L239L73-S75 PolarHBondContact O-N 3.23Å; S75-D77 PolarHBondContact O-N 2.81Å; S75-I78 PolarHBondContact O-N 3.2Å; S75-V79 VanDerWaalsContact O-CB 3.3Å; S75-V79 WeakPolarHBondContact O-CB 3.42Å; S75-V79 VanDerWaalsContact O-CG1 3.3Å; S75-V79 WeakPolarHBondContact O-CG1 3.28Å; S75-V79 PolarHBondContact O-N 3.3Å; S75-S238 PolarHBondContact N-O 3.48Å; S75-S238 PolarHBondContact OG-O 3.43Å; S75-L239 WeakPolarHBondContact OG-CD2 3.47Å; S75-L239 WeakPolarHBondContact OG-CG 3.3Å
76D83.8Confident91.5Very high17 Ų1750.7 Ų50.79%0.09124%0.244CC..THydrogen-bonded Turntrans-49-51-171-68.4-76000115.1R133 R240D76-R133 IonicContact OD2-CZ 3.36Å; D76-R133 IonicContact OD2-NH1 3.71Å; D76-R133 PolarHBondContact OD2-NH1 2.96Å; D76-R133 VanDerWaalsContact OD2-NH1 3.17Å; D76-R133 IonicContact OD2-NH2 3.89Å; D76-R133 PolarHBondContact OD2-NH2 3Å; D76-R240 PolarHBondContact OD1-N 3.02Å; D76-R240 IonicContact OD1-NE 3.67Å
77D81.9Confident91.3Very high90 Ų9050.4 Ų50.448%0.48125%0.246SC..THydrogen-bonded Turntrans-89.6-21.4-171.8-76.9-8.4000114.7S75 R126S75-D77 PolarHBondContact O-N 2.81Å; D77-R126 IonicContact OD2-NH1 2.88Å
78I86Confident91.1Very high25 Ų2547 Ų4713%0.12824%0.236CC..THydrogen-bonded Turntrans-103.5-31.2-166-62.3-61000110.9I45 S75 D80 K81 M82 R126 V127I45-I78 HydrophobicContact CD1-CB 4.2Å; I45-I78 HydrophobicContact CD1-CG2 3.88Å; S75-I78 PolarHBondContact O-N 3.2Å; I78-D80 PolarHBondContact O-N 3.2Å; I78-D80 VanDerWaalsContact O-N 3.16Å; I78-K81 PolarHBondContact O-N 3.08Å; I78-M82 HydrophobicContact CG2-CB 4.46Å; I78-M82 WeakPolarHBondContact O-CB 3.42Å; I78-M82 PolarHBondContact O-N 3Å; I78-R126 HydrophobicContact CD1-CB 4.48Å; I78-R126 HydrophobicContact CG1-CB 4.03Å; I78-V127 HydrophobicContact CB-CG2 4.06Å; I78-V127 HydrophobicContact CG1-CG2 3.97Å; I78-V127 HydrophobicContact CG2-CG2 4.12Å
79V88.2Confident91.1Very high2 Ų253.9 Ų53.91%0.01228%0.278CS..THydrogen-bonded Turntrans-56.8-37.4-174.369.20000112.8P43 I45 S75 K167 L239P43-V79 HydrophobicContact CB-CG2 4.01Å; P43-V79 HydrophobicContact CG-CG2 4.2Å; P43-V79 WeakPolarHBondContact O-CG2 3.43Å; I45-V79 HydrophobicContact CD1-CB 4.48Å; I45-V79 HydrophobicContact CG1-CB 4.46Å; I45-V79 HydrophobicContact CG1-CG2 4.43Å; S75-V79 VanDerWaalsContact O-CB 3.3Å; S75-V79 WeakPolarHBondContact O-CB 3.42Å; S75-V79 VanDerWaalsContact O-CG1 3.3Å; S75-V79 WeakPolarHBondContact O-CG1 3.28Å; S75-V79 PolarHBondContact O-N 3.3Å; V79-K167 HydrophobicContact CG2-CD 4.41Å; V79-K167 HydrophobicContact CG2-CG 4.3Å; V79-K167 WeakPolarHBondContact O-CD 3.42Å; V79-K167 VanDerWaalsContact O-CE 3.26Å; V79-K167 WeakPolarHBondContact O-CE 3.42Å; V79-K167 PolarHBondContact O-NZ 3.49Å; V79-L239 HydrophobicContact CG1-CD2 4.36Å
80D87.3Confident90.9Very high115 Ų11555.4 Ų55.462%0.61529%0.287SS*.THydrogen-bonded Turntrans-75.8-30.3-179.5-72.1-24.3000113.4I78I78-D80 PolarHBondContact O-N 3.2Å; I78-D80 VanDerWaalsContact O-N 3.16Å
81K89.4Confident90.5Very high149 Ų14959.4 Ų59.465%0.64831%0.309SS*.THydrogen-bonded Turntrans-81.7-28.1179.8-63.7173.5-173.5162.20112.2I78I78-K81 PolarHBondContact O-N 3.08Å
82M91.8Very high90.3Very high10 Ų1065.5 Ų65.55%0.04934%0.342CS..SBendtrans-74.7132.3-179.6-167.2177.9-171.300110.7I45 I78 E96 C97 S98 A165 K167I45-M82 HydrophobicContact CD1-SD 3.61Å; I45-M82 HydrophobicContact CG1-SD 3.85Å; I78-M82 HydrophobicContact CG2-CB 4.46Å; I78-M82 WeakPolarHBondContact O-CB 3.42Å; I78-M82 PolarHBondContact O-N 3Å; M82-E96 WeakPolarHBondContact CG-O 3.4Å; M82-C97 WeakPolarHBondContact CE-O 3.39Å; M82-S98 VanDerWaalsContact CE-N 3.35Å; M82-A165 WeakPolarHBondContact CE-O 3.45Å; M82-K167 HydrophobicContact CB-CD 4.43Å; M82-K167 HydrophobicContact CG-CB 4.26Å; M82-K167 WeakPolarHBondContact O-CD 3.16Å; M82-K167 PolarHBondContact O-NZ 2.86Å; M82-K167 HydrophobicContact SD-CB 4Å
83Q92.7Very high90.2Very high90 Ų9067 Ų6742%0.42135%0.345SS..PPolyproline II helixtrans-83156.1174.5-64.8-178.9-0.500110.5E96Q83-E96 PolarHBondContact N-O 3.09Å
84Y94.4Very high90.1Very high47 Ų4768.2 Ų68.218%0.18435%0.353CS..PPolyproline II helixtrans-67139.4167.6-70.4-75.9000109R86 D87 C88 K167 F169Y84-R86 PolarHBondContact O-N 2.95Å; Y84-R86 VanDerWaalsContact O-N 3.16Å; Y84-D87 PolarHBondContact O-N 2.74Å; Y84-C88 PolarHBondContact O-N 3.43Å; Y84-K167 HydrophobicContact CD1-CB 4.45Å; Y84-K167 HydrophobicContact CD1-CD 4.38Å; Y84-K167 HydrophobicContact CD1-CG 4.1Å; Y84-K167 HydrophobicContact CE1-CD 4.23Å; Y84-K167 HydrophobicContact CE1-CG 3.84Å; Y84-F169 HydrophobicContact CE1-CD1 4.01Å; Y84-F169 HydrophobicContact CE1-CE1 4.25Å
85S92.6Very high90Very high47 Ų4774 Ų7433%0.32939%0.391SS..G310 helixtrans-58.3-33.5-177.561.40000113D87 C88S85-D87 VanDerWaalsContact C-N 3.29Å; S85-D87 PolarHBondContact O-N 3.17Å; S85-C88 PolarHBondContact O-N 3.14Å
86R92.6Very high90.3Very high137 Ų13780 Ų8052%0.51742%0.419SS..G310 helixtrans-70-20.5176.862.5180175.1-103.3-6.4114.7Y84 E172Y84-R86 PolarHBondContact O-N 2.95Å; Y84-R86 VanDerWaalsContact O-N 3.16Å; R86-E172 IonicContact CZ-OE1 2.71Å; R86-E172 IonicContact NH1-OE1 3.77Å; R86-E172 PolarHBondContact NH1-OE1 2.96Å
87D93.1Very high90.7Very high107 Ų10779.3 Ų79.357%0.57242%0.415SS*.G310 helixtrans-97.9-9.4179.5-58.6-26.6000111.2Y84 S85Y84-D87 PolarHBondContact O-N 2.74Å; S85-D87 VanDerWaalsContact C-N 3.29Å; S85-D87 PolarHBondContact O-N 3.17Å
88C93.3Very high91.3Very high19 Ų1975.5 Ų75.513%0.12840%0.395CS..SBendtrans-80.3149.1179.9-164.20000110.9Y84 S85 C94 C97Y84-C88 PolarHBondContact O-N 3.43Å; S85-C88 PolarHBondContact O-N 3.14Å; C88-C94 VanDerWaalsContact SG-SG 3.69Å; C88-C97 HydrophobicContact CB-CB 3.81Å
89T93.8Very high91.8Very high144 Ų14474.8 Ų74.888%0.88339%0.392SS*.  trans-87.7-1.4-178.354.70000114.1
90C93.2Very high92.1Very high41 Ų4177.3 Ų77.328%0.27740%0.404SS..SBendtrans-79155.9179.267.30000112.5C94C90-C94 HydrophobicContact CB-CB 4.03Å
91D87.9Confident92.5Very high165 Ų16571.8 Ų71.888%0.88238%0.375SS*.SBendtrans-71.4-48.1-179.7-64.8-38.8000113
92D88.8Confident92.9Very high129 Ų12967.3 Ų67.369%0.6936%0.36SS*.SBendtrans-120.3-82.9-176.9-72.1-42.5000111.9
93F92.6Very high93.1Very high64 Ų6466.9 Ų66.928%0.28136%0.358SS..  trans-136.2134.6-173.7-56.4-63.5000110W49 S98 Y164W49-F93 HydrophobicContact CB-CE1 4.4Å; W49-F93 HydrophobicContact CB-CZ 3.96Å; W49-F93 HydrophobicContact CD2-CE2 4.23Å; W49-F93 AromaticContact CD2-CZ 3.98Å; W49-F93 HydrophobicContact CD2-CZ 3.98Å; W49-F93 HydrophobicContact CE3-CE2 4.43Å; W49-F93 HydrophobicContact CE3-CZ 4.5Å; W49-F93 HydrophobicContact CG-CE2 4.47Å; W49-F93 AromaticContact CG-CZ 3.75Å; W49-F93 HydrophobicContact CG-CZ 3.75Å; F93-S98 WeakPolarHBondContact CB-OG 3.28Å; F93-Y164 HydrophobicContact CB-CD1 4.21Å; F93-Y164 HydrophobicContact CB-CE1 4.28Å; F93-Y164 HydrophobicContact CD1-CD1 4.42Å; F93-Y164 HydrophobicContact CD1-CG 4.15Å; F93-Y164 HydrophobicContact CD2-CD1 4.28Å; F93-Y164 AromaticContact CD2-CD2 3.86Å; F93-Y164 HydrophobicContact CD2-CD2 3.86Å; F93-Y164 HydrophobicContact CD2-CE1 4.3Å; F93-Y164 AromaticContact CD2-CE2 3.88Å; F93-Y164 HydrophobicContact CD2-CE2 3.88Å; F93-Y164 HydrophobicContact CD2-CG 4.09Å; F93-Y164 HydrophobicContact CE1-CD2 4.47Å; F93-Y164 HydrophobicContact CE1-CG 4.31Å; F93-Y164 AromaticContact CE2-CD2 3.73Å; F93-Y164 HydrophobicContact CE2-CD2 3.73Å; F93-Y164 AromaticContact CE2-CE2 3.96Å; F93-Y164 HydrophobicContact CE2-CE2 3.96Å; F93-Y164 HydrophobicContact CE2-CG 4.24Å; F93-Y164 HydrophobicContact CG-CD1 4.05Å; F93-Y164 HydrophobicContact CG-CD2 4.3Å; F93-Y164 HydrophobicContact CG-CE1 4.34Å; F93-Y164 HydrophobicContact CG-CG 4.05Å; F93-Y164 HydrophobicContact CZ-CD2 4.06Å; F93-Y164 HydrophobicContact CZ-CG 4.35Å
94C91.9Very high93.3Very high25 Ų2567.3 Ų67.317%0.16936%0.363CS..  trans-134165.6172.380.50000110.7C88 C90 E96 C97 S98C88-C94 VanDerWaalsContact SG-SG 3.69Å; C90-C94 HydrophobicContact CB-CB 4.03Å; C94-E96 PolarHBondContact O-N 2.86Å; C94-E96 VanDerWaalsContact O-N 3.13Å; C94-E96 PolarHBondContact SG-N 3.16Å; C94-E96 VanDerWaalsContact SG-N 3.4Å; C94-C97 PolarHBondContact N-SG 3.1Å; C94-C97 VanDerWaalsContact N-SG 3.4Å; C94-C97 PolarHBondContact O-N 3.01Å; C94-C97 PolarHBondContact SG-SG 3.19Å; C94-S98 PolarHBondContact O-N 3.4Å; C94-S98 PolarHBondContact O-OG 2.98Å
95P89.6Confident93.4Very high130 Ų13065.2 Ų65.284%0.84436%0.355SS*.THydrogen-bonded Turntrans-62.1-16.1177.8-24.135.4000115
96E90.7Very high93.6Very high128 Ų12869.3 Ų69.360%0.59836%0.363SS*.THydrogen-bonded Turntrans-89.3-23.8179.8-58-171.8168.400113.3M82 Q83 C94M82-E96 WeakPolarHBondContact CG-O 3.4Å; Q83-E96 PolarHBondContact N-O 3.09Å; C94-E96 PolarHBondContact O-N 2.86Å; C94-E96 VanDerWaalsContact O-N 3.13Å; C94-E96 PolarHBondContact SG-N 3.16Å; C94-E96 VanDerWaalsContact SG-N 3.4Å
97C93.5Very high93.7Very high1 Ų162.9 Ų62.91%0.00734%0.339CS..THydrogen-bonded Turntrans-118.4-6.7-174.277.60000114.2M82 C88 C94M82-C97 WeakPolarHBondContact CE-O 3.39Å; C88-C97 HydrophobicContact CB-CB 3.81Å; C94-C97 PolarHBondContact N-SG 3.1Å; C94-C97 VanDerWaalsContact N-SG 3.4Å; C94-C97 PolarHBondContact O-N 3.01Å; C94-C97 PolarHBondContact SG-SG 3.19Å
98S95Very high93.7Very high10 Ų1062.6 Ų62.67%0.0734%0.341CS..  trans-149.9156.3-179.766.90000112.8M82 F93 C94 A165M82-S98 VanDerWaalsContact CE-N 3.35Å; F93-S98 WeakPolarHBondContact CB-OG 3.28Å; C94-S98 PolarHBondContact O-N 3.4Å; C94-S98 PolarHBondContact O-OG 2.98Å; S98-A165 VanDerWaalsContact CA-O 3.3Å; S98-A165 WeakPolarHBondContact CA-O 3.28Å
99V95Very high93.8Very high10 Ų1067.9 Ų67.96%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-120.3128168.8178.80000108.9L101 N124 V127 Y164 A165V99-L101 HydrophobicContact CG1-CD1 4.48Å; V99-N124 HydrophobicContact CG1-CB 3.85Å; V99-V127 HydrophobicContact CB-CG1 4.47Å; V99-V127 HydrophobicContact CG1-CB 4.17Å; V99-V127 HydrophobicContact CG1-CG1 4.25Å; V99-V127 HydrophobicContact CG2-CB 4.41Å; V99-V127 HydrophobicContact CG2-CG1 4.47Å; V99-V127 HydrophobicContact CG2-CG2 4.19Å; V99-Y164 WeakPolarHBondContact O-CA 3.34Å; V99-A165 HydrophobicContact CB-CB 4.47Å; V99-A165 PolarHBondContact N-O 2.92Å; V99-A165 PolarHBondContact O-N 3.19Å
100E95.8Very high93.7Very high55 Ų5567 Ų6726%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-85.7134.8177.6-173.7176.4-168.400111.2T102 N123 A163 Y164E100-T102 HydrophobicContact CG-CG2 4.44Å; E100-N123 HydrophobicContact CB-CB 4.29Å; E100-N123 WeakPolarHBondContact O-CB 3.33Å; E100-N123 PolarHBondContact O-N 2.93Å; E100-A163 CarbonylContact C-O 3.58Å; E100-A163 WeakPolarHBondContact CA-O 3.05Å; E100-Y164 HydrophobicContact CB-CD1 4.03Å; E100-Y164 HydrophobicContact CB-CE1 3.78Å; E100-Y164 HydrophobicContact CG-CD1 4.32Å; E100-Y164 HydrophobicContact CG-CE1 3.78Å
101L95.9Very high93.8Very high0 Ų072.3 Ų72.30%038%0.375CS..EExtended strand (participates in β ladder)trans-125.8144171.1-58.496.4000109.9I47 L73 V99 L120 L121 A163 A165I47-L101 HydrophobicContact CG1-CD1 4.32Å; L73-L101 HydrophobicContact CD1-CD1 4.37Å; L73-L101 HydrophobicContact CD2-CD2 4.08Å; V99-L101 HydrophobicContact CG1-CD1 4.48Å; L101-L120 HydrophobicContact CB-CD1 3.91Å; L101-L120 HydrophobicContact CB-CD2 4.25Å; L101-L120 HydrophobicContact CB-CG 3.92Å; L101-L120 HydrophobicContact CD2-CD2 3.58Å; L101-L120 HydrophobicContact CD2-CG 3.81Å; L101-L121 CarbonylContact C-O 3.5Å; L101-L121 VanDerWaalsContact CA-O 3.28Å; L101-L121 WeakPolarHBondContact CA-O 3.43Å; L101-A163 HydrophobicContact CB-CB 4.32Å; L101-A163 PolarHBondContact N-O 3.47Å; L101-A163 PolarHBondContact O-N 3.13Å; L101-A165 HydrophobicContact CD1-CB 3.82Å
102T96.8Very high94.1Very high55 Ų5568 Ų6834%0.33735%0.354SS..EExtended strand (participates in β ladder)trans-129142.2-176.9580000110.9E100 L121 R162E100-T102 HydrophobicContact CG-CG2 4.44Å; T102-L121 PolarHBondContact N-O 2.82Å; T102-L121 PolarHBondContact O-N 2.77Å; T102-L121 PolarHBondContact OG1-O 3.3Å; T102-R162 HydrophobicContact CG2-CG 4.49Å
103L96.4Very high94.4Very high1 Ų166.6 Ų66.61%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-134.7118.4176.3178.270.7000107.8V105 V115 D119 L120 L150 L159 R160 L161L103-V105 HydrophobicContact CD1-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; L103-V115 HydrophobicContact CD1-CG1 4Å; L103-V115 HydrophobicContact CD2-CG1 4.04Å; L103-D119 HydrophobicContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-O 3.32Å; L103-D119 WeakPolarHBondContact CD1-O 3.17Å; L103-L120 HydrophobicContact CB-CD1 3.95Å; L103-L150 HydrophobicContact CD2-CD1 4.34Å; L103-L159 HydrophobicContact CD2-CD2 3.77Å; L103-L159 HydrophobicContact CD2-CG 4.29Å; L103-R160 CarbonylContact O-C 3.52Å; L103-R160 VanDerWaalsContact O-CA 3.28Å; L103-R160 WeakPolarHBondContact O-CA 3.41Å; L103-L161 HydrophobicContact CB-CD1 3.73Å; L103-L161 HydrophobicContact CB-CG 3.93Å; L103-L161 HydrophobicContact CD2-CD1 4.29Å; L103-L161 HydrophobicContact CD2-CD2 4.04Å; L103-L161 HydrophobicContact CD2-CG 4.05Å; L103-L161 PolarHBondContact N-O 2.89Å; L103-L161 PolarHBondContact O-N 2.64Å
104D96.7Very high94.4Very high99 Ų9968 Ų6853%0.52935%0.347SS..EExtended strand (participates in β ladder)trans-133.2103.7174.1-165.8-18.3000109.1R160D104-R160 HydrophobicContact CB-CG 4.29Å; D104-R160 IonicContact OD1-NE 2.74Å; D104-R160 IonicContact OD1-NH2 2.69Å; D104-R160 IonicContact OD2-CZ 2.77Å; D104-R160 IonicContact OD2-NE 3.6Å; D104-R160 PolarHBondContact OD2-NE 2.68Å; D104-R160 IonicContact OD2-NH2 3.67Å
105V96.2Very high94.5Very high3 Ų366.8 Ų66.82%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-133.7130.2-175.5179.40000110.8L103 R113 V115 D119 L153 E158 L159L103-V105 HydrophobicContact CD1-CG2 3.75Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; V105-R113 VanDerWaalsContact CG1-NE 3.34Å; V105-V115 HydrophobicContact CB-CG2 4.3Å; V105-V115 HydrophobicContact CG1-CG2 3.86Å; V105-V115 HydrophobicContact CG2-CG1 4.3Å; V105-D119 HydrophobicContact CG2-CB 3.87Å; V105-L153 HydrophobicContact CG1-CD1 4.03Å; V105-E158 CarbonylContact O-C 3.5Å; V105-E158 VanDerWaalsContact O-CA 3.27Å; V105-E158 WeakPolarHBondContact O-CA 3.43Å; V105-L159 PolarHBondContact N-O 3.09Å; V105-L159 PolarHBondContact O-N 2.9Å
106R96.2Very high94.7Very high132 Ų13261.9 Ų61.950%0.49831%0.307SS..EExtended strand (participates in β ladder)trans-127.9138.8172.5-176.2168.3-176.6153.2-8.8111.1T108 R113 E158R106-T108 HydrophobicContact CG-CG2 4.32Å; R106-R113 PolarHBondContact O-NH1 3.47Å; R106-E158 HydrophobicContact CB-CB 3.98Å; R106-E158 WeakPolarHBondContact CD-OE2 3.43Å; R106-E158 HydrophobicContact CG-CB 3.98Å; R106-E158 IonicContact CZ-OE2 3.47Å; R106-E158 IonicContact NE-OE2 3.85Å; R106-E158 IonicContact NH1-OE2 2.86Å; R106-E158 PolarHBondContact NH1-OE2 3Å
107C95.3Very high94.7Very high2 Ų255.8 Ų55.81%0.01428%0.278CS..  trans-96.2102.5174.5-175.30000109.7Q111 R113 L153 R154 K155 G156 Q157C107-Q111 PolarHBondContact SG-O 3.17Å; C107-R113 HydrophobicContact CB-CB 4.08Å; C107-L153 HydrophobicContact CB-CB 3.81Å; C107-R154 WeakPolarHBondContact CB-O 3.48Å; C107-K155 PolarHBondContact SG-N 2.85Å; C107-G156 PolarHBondContact O-N 2.93Å; C107-Q157 PolarHBondContact N-O 2.94Å
108T94.2Very high94.4Very high101 Ų10161 Ų6162%0.6230%0.298SS*.  trans-95.3-22.8175.849.20000112.8R106R106-T108 HydrophobicContact CG-CG2 4.32Å
109E93.9Very high94.3Very high130 Ų13062.6 Ų62.661%0.60731%0.305SS*.SBendtrans-79.7157.5-177.9-62.4176.1-170.600111.9Q111 K155E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.19Å; E109-K155 VanDerWaalsContact O-CB 3.26Å; E109-K155 WeakPolarHBondContact O-CB 3.3Å
110D93.3Very high94.2Very high126 Ų12662.4 Ų62.467%0.67430%0.304SS*.SBendtrans-73.5-18.2174.8-75.1-64.7000112.9K155D110-K155 HydrophobicContact CB-CD 4.46Å; D110-K155 WeakPolarHBondContact OD1-CD 3.48Å; D110-K155 WeakPolarHBondContact OD1-CE 3.05Å; D110-K155 IonicContact OD1-NZ 2.72Å; D110-K155 PolarHBondContact OD1-NZ 3.12Å; D110-K155 IonicContact OD2-NZ 2.86Å; D110-K155 PolarHBondContact OD2-NZ 2.84Å
111Q94.6Very high94Very high153 Ų15365.3 Ų65.372%0.71532%0.32SS*.SBendtrans-79.3151.6174.5-63-172.241.800111.4C107 E109 R113C107-Q111 PolarHBondContact SG-O 3.17Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.19Å; Q111-R113 PolarHBondContact O-N 3.25Å
112T94.2Very high93.8Very high73 Ų7366.8 Ų66.845%0.44833%0.331SS..PPolyproline II helixtrans-72.1119.4178.4-59.70000109.6K152 L153T112-K152 HydrophobicContact CG2-CB 3.85Å; T112-L153 CarbonylContact C-O 3.49Å; T112-L153 WeakPolarHBondContact CA-O 3.24Å; T112-L153 WeakPolarHBondContact CG2-O 3.25Å
113R93.9Very high93.5Very high100 Ų10070.1 Ų70.138%0.37735%0.347SS..EExtended strand (participates in β ladder)trans-83.6132.6175.8-175.4170.9179.3172.6-0109.8V105 R106 C107 Q111 D119 K152 L153V105-R113 VanDerWaalsContact CG1-NE 3.34Å; R106-R113 PolarHBondContact O-NH1 3.47Å; C107-R113 HydrophobicContact CB-CB 4.08Å; Q111-R113 PolarHBondContact O-N 3.25Å; R113-D119 IonicContact NH2-OD1 2.74Å; R113-K152 WeakPolarHBondContact O-CA 3.18Å; R113-L153 PolarHBondContact N-O 3.38Å; R113-L153 PolarHBondContact O-N 3Å
114H94.3Very high93.1Very high93 Ų9372.2 Ų72.243%0.43136%0.358SS..EExtended strand (participates in β ladder)trans-94.4122.5172.6-66.5-6.7000108.4T116 L149 K152H114-T116 HydrophobicContact CB-CG2 4.41Å; H114-L149 HydrophobicContact CB-CD1 3.68Å; H114-K152 VanDerWaalsContact CE1-CD 3.47Å; H114-K152 WeakPolarHBondContact CE1-CD 3.19Å; H114-K152 VanDerWaalsContact CE1-CE 3.49Å; H114-K152 WeakPolarHBondContact CE1-CE 3.37Å
115V94.1Very high92.5Very high0 Ų072.7 Ų72.70%037%0.367CS..EExtended strand (participates in β ladder)trans-92122.4173.1-175.10000107.2L103 V105 D119 L150 V151 L153L103-V115 HydrophobicContact CD1-CG1 4Å; L103-V115 HydrophobicContact CD2-CG1 4.04Å; V105-V115 HydrophobicContact CB-CG2 4.3Å; V105-V115 HydrophobicContact CG1-CG2 3.86Å; V105-V115 HydrophobicContact CG2-CG1 4.3Å; V115-D119 WeakPolarHBondContact CA-OD2 3.42Å; V115-D119 HydrophobicContact CG1-CB 4.46Å; V115-L150 HydrophobicContact CG1-CB 4.46Å; V115-L150 HydrophobicContact CG1-CD1 4.43Å; V115-L150 PolarHBondContact O-N 3.01Å; V115-V151 HydrophobicContact CB-CG1 3.8Å; V115-V151 WeakPolarHBondContact CB-O 3.33Å; V115-V151 HydrophobicContact CG1-CG1 4.43Å; V115-V151 HydrophobicContact CG2-CG1 3.78Å; V115-V151 PolarHBondContact N-O 2.79Å; V115-V151 PolarHBondContact O-N 3.25Å; V115-L153 HydrophobicContact CG2-CD1 3.52Å; V115-L153 HydrophobicContact CG2-CG 3.75Å
116T93.1Very high92Very high28 Ų2878.9 Ų78.917%0.17239%0.389CS..EExtended strand (participates in β ladder)trans-124.6171.3-170.762.30000111.8H114 R118 D119 D147 I148H114-T116 HydrophobicContact CB-CG2 4.41Å; T116-R118 PolarHBondContact O-N 3.46Å; T116-R118 VanDerWaalsContact O-N 3.17Å; T116-D119 PolarHBondContact N-OD2 2.91Å; T116-D119 PolarHBondContact O-N 3.15Å; T116-D119 VanDerWaalsContact O-N 3.09Å; T116-D119 PolarHBondContact OG1-OD2 3.23Å; T116-D147 HydrophobicContact CG2-CB 4.31Å; T116-I148 CarbonylContact C-O 3.55Å; T116-I148 VanDerWaalsContact CA-O 3.25Å; T116-I148 WeakPolarHBondContact CA-O 3.43Å
117S91.3Very high91.7Very high0 Ų072.6 Ų72.60%037%0.366CS..G310 helixtrans-54.8-29.3173.446.50000112.9D119 L120 T131 D147 I148S117-D119 VanDerWaalsContact C-N 3.31Å; S117-D119 PolarHBondContact O-N 3.07Å; S117-L120 VanDerWaalsContact O-CB 3.24Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.4Å; S117-T131 PolarHBondContact OG-OG1 2.87Å; S117-D147 WeakPolarHBondContact OG-CA 3.16Å; S117-I148 PolarHBondContact N-O 3.23Å; S117-I148 PolarHBondContact OG-N 3.25Å
118R87.3Confident91.4Very high111 Ų11174.9 Ų74.942%0.41938%0.377SS..G310 helixtrans-66.4-28.4177.4179.6175.7172.8-172.6-5.7114.3T116 L120 R135T116-R118 PolarHBondContact O-N 3.46Å; T116-R118 VanDerWaalsContact O-N 3.17Å; R118-L120 PolarHBondContact O-N 2.77Å; R118-R135 VanDerWaalsContact CZ-NH1 3.32Å
119D91.6Very high91.2Very high42 Ų4270.1 Ų70.123%0.22535%0.348CS..G310 helixtrans-72.6-10.6177.7-63.3-62.9000111.8L103 V105 R113 V115 T116 S117 L121L103-D119 HydrophobicContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-CB 3.42Å; L103-D119 VanDerWaalsContact CD1-O 3.32Å; L103-D119 WeakPolarHBondContact CD1-O 3.17Å; V105-D119 HydrophobicContact CG2-CB 3.87Å; R113-D119 IonicContact NH2-OD1 2.74Å; V115-D119 WeakPolarHBondContact CA-OD2 3.42Å; V115-D119 HydrophobicContact CG1-CB 4.46Å; T116-D119 PolarHBondContact N-OD2 2.91Å; T116-D119 PolarHBondContact O-N 3.15Å; T116-D119 VanDerWaalsContact O-N 3.09Å; T116-D119 PolarHBondContact OG1-OD2 3.23Å; S117-D119 VanDerWaalsContact C-N 3.31Å; S117-D119 PolarHBondContact O-N 3.07Å; D119-L121 PolarHBondContact O-N 2.87Å
120L92.5Very high90.6Very high7 Ų765.2 Ų65.24%0.03733%0.327CS..  trans-83107.8179-167.567000110.6I47 I71 L101 L103 S117 R118 P129I47-L120 HydrophobicContact CD1-CD2 3.84Å; I71-L120 HydrophobicContact CD1-CD2 4.26Å; L101-L120 HydrophobicContact CB-CD1 3.91Å; L101-L120 HydrophobicContact CB-CD2 4.25Å; L101-L120 HydrophobicContact CB-CG 3.92Å; L101-L120 HydrophobicContact CD2-CD2 3.58Å; L101-L120 HydrophobicContact CD2-CG 3.81Å; L103-L120 HydrophobicContact CB-CD1 3.95Å; S117-L120 VanDerWaalsContact O-CB 3.24Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.4Å; R118-L120 PolarHBondContact O-N 2.77Å; L120-P129 HydrophobicContact CD2-CG 4.34Å
121L92.2Very high89.5Confident115 Ų11560.7 Ų60.760%0.60230%0.304SS*.EExtended strand (participates in β ladder)trans-91117.7-178-59.6177.6000110.5L101 T102 D119L101-L121 CarbonylContact C-O 3.5Å; L101-L121 VanDerWaalsContact CA-O 3.28Å; L101-L121 WeakPolarHBondContact CA-O 3.43Å; T102-L121 PolarHBondContact N-O 2.82Å; T102-L121 PolarHBondContact O-N 2.77Å; T102-L121 PolarHBondContact OG1-O 3.3Å; D119-L121 PolarHBondContact O-N 2.87Å
122S92.3Very high87.8Confident32 Ų3255 Ų5522%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-87.9140.8175.4-175.20000111.6N124 V127S122-N124 VanDerWaalsContact C-N 3.25Å; S122-N124 PolarHBondContact OG-N 3.24Å; S122-N124 PolarHBondContact OG-O 3.09Å; S122-V127 WeakPolarHBondContact CB-O 3.38Å; S122-V127 PolarHBondContact OG-O 3.14Å
123N90.9Very high86Confident125 Ų12556.3 Ų56.367%0.66828%0.278SS*.SBendtrans-71.5-22.7171.1-166.311.3000111.9E100E100-N123 HydrophobicContact CB-CB 4.29Å; E100-N123 WeakPolarHBondContact O-CB 3.33Å; E100-N123 PolarHBondContact O-N 2.93Å
124N87.4Confident84.1Confident44 Ų4456.5 Ų56.524%0.23530%0.295CS..SBendtrans-109.5117.3177.1-171.3-27.7000110.7V99 S122 R126 V127V99-N124 HydrophobicContact CG1-CB 3.85Å; S122-N124 VanDerWaalsContact C-N 3.25Å; S122-N124 PolarHBondContact OG-N 3.24Å; S122-N124 PolarHBondContact OG-O 3.09Å; N124-R126 PolarHBondContact O-N 3.46Å; N124-R126 PolarHBondContact OD1-N 2.82Å; N124-V127 PolarHBondContact O-N 3.47Å; N124-V127 VanDerWaalsContact O-N 3.09Å
125P84.1Confident82Confident110 Ų11059.7 Ų59.771%0.71430%0.303SS*.THydrogen-bonded Turntrans-65.2-15.3-175.726.9-35.4000113.9
126R86.3Confident80Confident132 Ų13267 Ų6750%0.49834%0.342SS..THydrogen-bonded Turntrans-89.1-14.4178.1-54.6-168.4-153.4-164.81.6113.9T74 D77 I78 N124T74-R126 WeakPolarHBondContact CG2-O 3.31Å; D77-R126 IonicContact OD2-NH1 2.88Å; I78-R126 HydrophobicContact CD1-CB 4.48Å; I78-R126 HydrophobicContact CG1-CB 4.03Å; N124-R126 PolarHBondContact O-N 3.46Å; N124-R126 PolarHBondContact OD1-N 2.82Å
127V89.7Confident77.8Confident0 Ų073.2 Ų73.20%037%0.374CS..SBendtrans-115.489.1-179.9-178.90000107.3I45 L73 I78 V99 S122 N124I45-V127 HydrophobicContact CD1-CG2 4.32Å; I45-V127 HydrophobicContact CG2-CG1 4.2Å; L73-V127 HydrophobicContact CB-CG1 4.19Å; L73-V127 HydrophobicContact CD1-CG1 4.14Å; I78-V127 HydrophobicContact CB-CG2 4.06Å; I78-V127 HydrophobicContact CG1-CG2 3.97Å; I78-V127 HydrophobicContact CG2-CG2 4.12Å; V99-V127 HydrophobicContact CB-CG1 4.47Å; V99-V127 HydrophobicContact CG1-CB 4.17Å; V99-V127 HydrophobicContact CG1-CG1 4.25Å; V99-V127 HydrophobicContact CG2-CB 4.41Å; V99-V127 HydrophobicContact CG2-CG1 4.47Å; V99-V127 HydrophobicContact CG2-CG2 4.19Å; S122-V127 WeakPolarHBondContact CB-O 3.38Å; S122-V127 PolarHBondContact OG-O 3.14Å; N124-V127 PolarHBondContact O-N 3.47Å; N124-V127 VanDerWaalsContact O-N 3.09Å
128I89.1Confident75.7Confident50 Ų5077.8 Ų77.826%0.25640%0.399SS..  trans-127.2156.6-178.461175.7000109.7T74 V130T74-I128 WeakPolarHBondContact CB-O 3.13Å; T74-I128 PolarHBondContact N-O 3.43Å; T74-I128 PolarHBondContact OG1-O 2.7Å; T74-I128 VanDerWaalsContact OG1-O 3.14Å; I128-V130 PolarHBondContact O-N 3.21Å
129P89.6Confident73.9Confident2 Ų279 Ų791%0.01342%0.421CS..BIsolated β-bridgetrans-52.9137.7170.8-26.536.6000111.7I71 P72 L73 L120 T131 S132I71-P129 HydrophobicContact CG2-CB 3.99Å; I71-P129 HydrophobicContact CG2-CG 4.33Å; P72-P129 WeakPolarHBondContact O-CA 3.29Å; L73-P129 HydrophobicContact CD2-CG 4.15Å; L120-P129 HydrophobicContact CD2-CG 4.34Å; P129-T131 PolarHBondContact O-N 3.27Å; P129-S132 WeakPolarHBondContact O-CB 3.38Å; P129-S132 PolarHBondContact O-N 2.99Å; P129-S132 VanDerWaalsContact O-N 3.08Å
130V81.2Confident71.8Confident27 Ų2782.7 Ų82.716%0.16444%0.441CS..G310 helixtrans-57.9-36-173.6172.50000112.4P72 I128 S132 R133 G237P72-V130 HydrophobicContact CB-CB 4.46Å; P72-V130 HydrophobicContact CB-CG2 3.84Å; P72-V130 HydrophobicContact CG-CB 4.21Å; P72-V130 HydrophobicContact CG-CG2 4.13Å; P72-V130 PolarHBondContact O-N 3Å; P72-V130 VanDerWaalsContact O-N 3.09Å; I128-V130 PolarHBondContact O-N 3.21Å; V130-S132 PolarHBondContact O-N 3.22Å; V130-R133 WeakPolarHBondContact O-CB 3.39Å; V130-R133 PolarHBondContact O-N 3.45Å; V130-G237 VanDerWaalsContact CG2-C 3.45Å; V130-G237 WeakPolarHBondContact CG2-O 3.09Å
131T69.9Low69.7Low30 Ų3087.7 Ų87.718%0.18447%0.467CS..G310 helixtrans-60.1-17.4-179.271.30000113.3S117 P129 D146 D147 I148S117-T131 PolarHBondContact OG-OG1 2.87Å; P129-T131 PolarHBondContact O-N 3.27Å; T131-D146 WeakPolarHBondContact CB-O 3.49Å; T131-D146 WeakPolarHBondContact CG2-O 3.49Å; T131-D147 WeakPolarHBondContact CB-OD1 3.28Å; T131-D147 PolarHBondContact OG1-OD1 2.91Å; T131-I148 HydrophobicContact CG2-CD1 4.22Å; T131-I148 HydrophobicContact CG2-CG1 4.08Å
132S59.2Low67.4Low35 Ų3592.6 Ų92.625%0.24548%0.48CS..G310 helixtrans-85.8-8.6178-62.10000114.1P129 V130P129-S132 WeakPolarHBondContact O-CB 3.38Å; P129-S132 PolarHBondContact O-N 2.99Å; P129-S132 VanDerWaalsContact O-N 3.08Å; V130-S132 PolarHBondContact O-N 3.22Å
133R57.2Low65.3Low99 Ų9994.9 Ų94.937%0.37449%0.492SS..G310 helixtrans-71.2-34.1-176.5-75.5-177.8137.7177.4-9.2114T74 D76 V130 R135 G237T74-R133 PolarHBondContact OG1-NE 2.83Å; D76-R133 IonicContact OD2-CZ 3.36Å; D76-R133 IonicContact OD2-NH1 3.71Å; D76-R133 PolarHBondContact OD2-NH1 2.96Å; D76-R133 VanDerWaalsContact OD2-NH1 3.17Å; D76-R133 IonicContact OD2-NH2 3.89Å; D76-R133 PolarHBondContact OD2-NH2 3Å; V130-R133 WeakPolarHBondContact O-CB 3.39Å; V130-R133 PolarHBondContact O-N 3.45Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.83Å; R133-G237 PolarHBondContact NH1-O 3.38Å
134S52.3Low63.4Low104 Ų10497.1 Ų97.173%0.72750%0.498SS*.G310 helixtrans-823.8-170-60.90000115.8D136S134-D136 PolarHBondContact O-N 2.9Å
135R50.6Low61.9Low160 Ų160102.3 Ų102.360%0.60452%0.521SS*.G310 helixtrans-77-16.5-175.7-65.1-171.285.9-153.52.3114.9R118 R133R118-R135 VanDerWaalsContact CZ-NH1 3.32Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.83Å
136D51.4Low60.9Low154 Ų154102.8 Ų102.882%0.82452%0.518SS*.G310 helixtrans-87.5-9.4-171.4-72-22.7000114.3S134S134-D136 PolarHBondContact O-N 2.9Å
137N48.9Very low60.8Low158 Ų15898 Ų9885%0.84550%0.502SS*.SBendtrans-107-22.8-170.2-85.9-12.3000117
138D46.2Very low60.9Low97 Ų97100.6 Ų100.652%0.51952%0.516SS..  trans-154114.9177.1-154.9-24.9000114.6N140 D141D138-N140 PolarHBondContact O-N 2.87Å; D138-N140 WeakPolarHBondContact OD1-CB 3.46Å; D138-N140 PolarHBondContact OD1-N 3.29Å; D138-D141 HydrophobicContact CB-CB 4.5Å
139P50.4Low61.1Low137 Ų137101 Ų10189%0.8952%0.518SS*.THydrogen-bonded Turntrans-69.1-10.5173.3-1629.3000115.1
140N46.3Very low61.3Low119 Ų119101.1 Ų101.164%0.63652%0.518SS*.THydrogen-bonded Turntrans-106.86.7-173.6-108-5.3000114D138 Y142D138-N140 PolarHBondContact O-N 2.87Å; D138-N140 WeakPolarHBondContact OD1-CB 3.46Å; D138-N140 PolarHBondContact OD1-N 3.29Å; N140-Y142 VanDerWaalsContact O-CD2 3.28Å; N140-Y142 WeakPolarHBondContact O-CD2 3.34Å; N140-Y142 PolarHBondContact O-N 3.46Å; N140-Y142 VanDerWaalsContact O-N 3.07Å
141D48.1Very low62Low111 Ų111100 Ų10059%0.59451%0.512SS*.  trans-75.3102.6179.2-150.614.9000109.8D138 V143D138-D141 HydrophobicContact CB-CB 4.5Å; D141-V143 PolarHBondContact O-N 3.36Å; D141-V143 VanDerWaalsContact O-N 3.13Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.31Å
142Y45.4Very low63.3Low219 Ų219103.8 Ų103.886%0.85953%0.525SS*.  trans-75.419.7173.5-75.8-88.9000112.2N140N140-Y142 VanDerWaalsContact O-CD2 3.28Å; N140-Y142 WeakPolarHBondContact O-CD2 3.34Å; N140-Y142 PolarHBondContact O-N 3.46Å; N140-Y142 VanDerWaalsContact O-N 3.07Å
143V47.8Very low65Low80 Ų80102.1 Ų102.149%0.48551%0.514SS..SBendtrans-73.3133175.2178.90000107.6D141 Q145D141-V143 PolarHBondContact O-N 3.36Å; D141-V143 VanDerWaalsContact O-N 3.13Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.31Å; V143-Q145 PolarHBondContact O-N 3.1Å
144E51Low66.9Low171 Ų171106 Ų10680%0.79953%0.529SS*.  trans-38.7134.2171.1-86.7172135.500109.9D146E144-D146 PolarHBondContact O-N 3.3Å
145Q55.4Low69Low153 Ų153106.1 Ų106.172%0.71552%0.516SS*.  trans-56.7104.5172.4-79.6169.4-17.900108.1V143 D147V143-Q145 PolarHBondContact O-N 3.1Å; Q145-D147 PolarHBondContact O-N 3.38Å
146D64.1Low71.1Confident121 Ų121101 Ų10165%0.64751%0.513SS*.  trans-66.319.2179.7-77-32.5000113T131 E144T131-D146 WeakPolarHBondContact CB-O 3.49Å; T131-D146 WeakPolarHBondContact CG2-O 3.49Å; E144-D146 PolarHBondContact O-N 3.3Å
147D83.3Confident73.3Confident30 Ų3095.2 Ų95.216%0.1648%0.481CS..PPolyproline II helixtrans-72.2132.5178.4-69.5-41.5000110.7T116 S117 T131 Q145 L149T116-D147 HydrophobicContact CG2-CB 4.31Å; S117-D147 WeakPolarHBondContact OG-CA 3.16Å; T131-D147 WeakPolarHBondContact CB-OD1 3.28Å; T131-D147 PolarHBondContact OG1-OD1 2.91Å; Q145-D147 PolarHBondContact O-N 3.38Å; D147-L149 PolarHBondContact O-N 2.85Å
148I91.2Very high75.6Confident56 Ų5689.6 Ų89.629%0.28745%0.45SS..PPolyproline II helixtrans-72116.5-176.9-64.4162.9000108.7I71 P72 T116 S117 T131 L150I71-I148 HydrophobicContact CG2-CD1 4.27Å; P72-I148 HydrophobicContact CG-CD1 4.22Å; T116-I148 CarbonylContact C-O 3.55Å; T116-I148 VanDerWaalsContact CA-O 3.25Å; T116-I148 WeakPolarHBondContact CA-O 3.43Å; S117-I148 PolarHBondContact N-O 3.23Å; S117-I148 PolarHBondContact OG-N 3.25Å; T131-I148 HydrophobicContact CG2-CD1 4.22Å; T131-I148 HydrophobicContact CG2-CG1 4.08Å; I148-L150 HydrophobicContact CG2-CD2 4.21Å; I148-L150 PolarHBondContact O-N 2.88Å
149L93.1Very high78Confident58 Ų5885 Ų8530%0.30443%0.425SS..EExtended strand (participates in β ladder)trans-66.9121.4173.4-178.971.9000110.6R67 H114 D147 K152R67-L149 PolarHBondContact NE-O 2.93Å; R67-L149 PolarHBondContact NH2-O 2.98Å; H114-L149 HydrophobicContact CB-CD1 3.68Å; D147-L149 PolarHBondContact O-N 2.85Å; L149-K152 HydrophobicContact CD1-CG 4.16Å; L149-K152 HydrophobicContact CD2-CD 4.34Å; L149-K152 VanDerWaalsContact CD2-CE 3.42Å; L149-K152 HydrophobicContact CD2-CG 4.02Å
150L94.1Very high80.3Confident4 Ų482.7 Ų82.72%0.02140%0.399CS..EExtended strand (participates in β ladder)trans-91.1-52.6177.2-54.9-179.5000111.1R67 V68 I71 L103 V115 I148R67-L150 WeakPolarHBondContact CD-O 3.33Å; R67-L150 PolarHBondContact NE-O 3.13Å; R67-L150 VanDerWaalsContact NE-O 3.13Å; V68-L150 HydrophobicContact CG2-CD1 4.22Å; V68-L150 HydrophobicContact CG2-CD2 4.49Å; I71-L150 HydrophobicContact CD1-CD1 4.06Å; I71-L150 HydrophobicContact CD1-CD2 3.48Å; I71-L150 VanDerWaalsContact CD1-CD2 3.48Å; I71-L150 HydrophobicContact CD1-CG 4.37Å; I71-L150 HydrophobicContact CG1-CD2 3.94Å; L103-L150 HydrophobicContact CD2-CD1 4.34Å; V115-L150 HydrophobicContact CG1-CB 4.46Å; V115-L150 HydrophobicContact CG1-CD1 4.43Å; V115-L150 PolarHBondContact O-N 3.01Å; I148-L150 HydrophobicContact CG2-CD2 4.21Å; I148-L150 PolarHBondContact O-N 2.88Å
151V96.4Very high82.7Confident5 Ų577.1 Ų77.13%0.0337%0.368CS..EExtended strand (participates in β ladder)trans-156.9153.8179.663.80000110.8L59 I64 V115 L153 L159L59-V151 HydrophobicContact CD1-CB 4.02Å; L59-V151 HydrophobicContact CD1-CG2 3.62Å; L59-V151 HydrophobicContact CG-CG2 4.01Å; I64-V151 HydrophobicContact CD1-CB 3.85Å; I64-V151 HydrophobicContact CD1-CG1 4.26Å; I64-V151 HydrophobicContact CD1-CG2 4.24Å; V115-V151 HydrophobicContact CB-CG1 3.8Å; V115-V151 WeakPolarHBondContact CB-O 3.33Å; V115-V151 HydrophobicContact CG1-CG1 4.43Å; V115-V151 HydrophobicContact CG2-CG1 3.78Å; V115-V151 PolarHBondContact N-O 2.79Å; V115-V151 PolarHBondContact O-N 3.25Å; V151-L153 HydrophobicContact CG1-CD2 4.13Å; V151-L153 HydrophobicContact CG1-CG 4.38Å; V151-L153 HydrophobicContact CG2-CD2 4.33Å; V151-L159 HydrophobicContact CG1-CD2 3.92Å
152K96.1Very high85Confident108 Ų10877.1 Ų77.147%0.4736%0.36SS..EExtended strand (participates in β ladder)trans-102.1127.4170.3-60.5-171.1175.7-170.30108.9T112 R113 H114 L149T112-K152 HydrophobicContact CG2-CB 3.85Å; R113-K152 WeakPolarHBondContact O-CA 3.18Å; H114-K152 VanDerWaalsContact CE1-CD 3.47Å; H114-K152 WeakPolarHBondContact CE1-CD 3.19Å; H114-K152 VanDerWaalsContact CE1-CE 3.49Å; H114-K152 WeakPolarHBondContact CE1-CE 3.37Å; L149-K152 HydrophobicContact CD1-CG 4.16Å; L149-K152 HydrophobicContact CD2-CD 4.34Å; L149-K152 VanDerWaalsContact CD2-CE 3.42Å; L149-K152 HydrophobicContact CD2-CG 4.02Å
153L96.4Very high87.5Confident1 Ų166.7 Ų66.71%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-108.1135.6179.6-60.7179.4000110.3V105 C107 T112 R113 V115 V151 Q157V105-L153 HydrophobicContact CG1-CD1 4.03Å; C107-L153 HydrophobicContact CB-CB 3.81Å; T112-L153 CarbonylContact C-O 3.49Å; T112-L153 WeakPolarHBondContact CA-O 3.24Å; T112-L153 WeakPolarHBondContact CG2-O 3.25Å; R113-L153 PolarHBondContact N-O 3.38Å; R113-L153 PolarHBondContact O-N 3Å; V115-L153 HydrophobicContact CG2-CD1 3.52Å; V115-L153 HydrophobicContact CG2-CG 3.75Å; V151-L153 HydrophobicContact CG1-CD2 4.13Å; V151-L153 HydrophobicContact CG1-CG 4.38Å; V151-L153 HydrophobicContact CG2-CD2 4.33Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 3.94Å
154R96.3Very high89.8Confident180 Ų18064.6 Ų64.668%0.67930%0.303SS*.  trans-94.4162.8167.8-164.9168.5-173.4130.62.9110C107 G156 Q157C107-R154 WeakPolarHBondContact CB-O 3.48Å; R154-G156 PolarHBondContact O-N 3.48Å; R154-Q157 WeakPolarHBondContact O-CB 3.41Å; R154-Q157 WeakPolarHBondContact O-CG 3.36Å; R154-Q157 PolarHBondContact O-N 2.92Å
155K96.4Very high92Very high107 Ų10756.5 Ų56.547%0.46527%0.265SS..THydrogen-bonded Turntrans-44.1125.8176.5-171.1167.4177.31750112.3C107 E109 D110C107-K155 PolarHBondContact SG-N 2.85Å; E109-K155 VanDerWaalsContact O-CB 3.26Å; E109-K155 WeakPolarHBondContact O-CB 3.3Å; D110-K155 HydrophobicContact CB-CD 4.46Å; D110-K155 WeakPolarHBondContact OD1-CD 3.48Å; D110-K155 WeakPolarHBondContact OD1-CE 3.05Å; D110-K155 IonicContact OD1-NZ 2.72Å; D110-K155 PolarHBondContact OD1-NZ 3.12Å; D110-K155 IonicContact OD2-NZ 2.86Å; D110-K155 PolarHBondContact OD2-NZ 2.84Å
156G94.9Very high94Very high52 Ų5250.7 Ų50.754%0.53624%0.237SC..THydrogen-bonded Turntrans95.3-13.1179.600000114.8C107 R154C107-G156 PolarHBondContact O-N 2.93Å; R154-G156 PolarHBondContact O-N 3.48Å
157Q97.3Very high95.5Very high33 Ų3346.1 Ų46.115%0.15421%0.212CC..  trans-86146.8176.7-56.9-174.8-58.200111.9S56 C107 L153 R154S56-Q157 VanDerWaalsContact O-CG 3.3Å; S56-Q157 WeakPolarHBondContact O-CG 3.44Å; S56-Q157 PolarHBondContact O-NE2 2.78Å; C107-Q157 PolarHBondContact N-O 2.94Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 3.94Å; R154-Q157 WeakPolarHBondContact O-CB 3.41Å; R154-Q157 WeakPolarHBondContact O-CG 3.36Å; R154-Q157 PolarHBondContact O-N 2.92Å
158E97Very high96.1Very high40 Ų4044.7 Ų44.719%0.18720%0.204CC..EExtended strand (participates in β ladder)trans-139.4151.6177.165.3-177.8-156.600111.7S56 V105 R106S56-E158 PolarHBondContact N-O 2.52Å; S56-E158 WeakPolarHBondContact OG-CG 3.28Å; S56-E158 PolarHBondContact OG-N 3.32Å; S56-E158 PolarHBondContact OG-O 3.46Å; V105-E158 CarbonylContact O-C 3.5Å; V105-E158 VanDerWaalsContact O-CA 3.27Å; V105-E158 WeakPolarHBondContact O-CA 3.43Å; R106-E158 HydrophobicContact CB-CB 3.98Å; R106-E158 WeakPolarHBondContact CD-OE2 3.43Å; R106-E158 HydrophobicContact CG-CB 3.98Å; R106-E158 IonicContact CZ-OE2 3.47Å; R106-E158 IonicContact NE-OE2 3.85Å; R106-E158 IonicContact NH1-OE2 2.86Å; R106-E158 PolarHBondContact NH1-OE2 3Å
159L97.4Very high96.3Very high0 Ų043.8 Ų43.80%020%0.198CC..EExtended strand (participates in β ladder)trans-136.6119.6174.3179.264.3000108.4A54 N55 I64 L103 V105 V151 L161A54-L159 CarbonylContact O-C 3.56Å; A54-L159 WeakPolarHBondContact O-CA 3.25Å; N55-L159 HydrophobicContact CB-CD1 4.1Å; I64-L159 HydrophobicContact CG2-CD1 4.45Å; I64-L159 HydrophobicContact CG2-CD2 4.19Å; L103-L159 HydrophobicContact CD2-CD2 3.77Å; L103-L159 HydrophobicContact CD2-CG 4.29Å; V105-L159 PolarHBondContact N-O 3.09Å; V105-L159 PolarHBondContact O-N 2.9Å; V151-L159 HydrophobicContact CG1-CD2 3.92Å; L159-L161 HydrophobicContact CD1-CD2 4.29Å; L159-L161 HydrophobicContact CD2-CD2 4.34Å; L159-L161 HydrophobicContact CG-CD2 4.35Å
160R97.9Very high96.4Very high89 Ų8941.9 Ų41.934%0.33619%0.192SC..EExtended strand (participates in β ladder)trans-126.7121.8173.1-169.9-176.4-60.9116.215.1109.8D53 A54 L103 D104D53-R160 HydrophobicContact CB-CB 4.27Å; D53-R160 HydrophobicContact CB-CG 4.13Å; D53-R160 PolarHBondContact N-O 3.05Å; A54-R160 HydrophobicContact CB-CB 4.27Å; A54-R160 PolarHBondContact N-O 3.04Å; A54-R160 PolarHBondContact O-N 3.04Å; L103-R160 CarbonylContact O-C 3.52Å; L103-R160 VanDerWaalsContact O-CA 3.28Å; L103-R160 WeakPolarHBondContact O-CA 3.41Å; D104-R160 HydrophobicContact CB-CG 4.29Å; D104-R160 IonicContact OD1-NE 2.74Å; D104-R160 IonicContact OD1-NH2 2.69Å; D104-R160 IonicContact OD2-CZ 2.77Å; D104-R160 IonicContact OD2-NE 3.6Å; D104-R160 PolarHBondContact OD2-NE 2.68Å; D104-R160 IonicContact OD2-NH2 3.67Å
161L97.3Very high96.6Very high1 Ų147.8 Ų47.81%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-145157.3176.861.780.1000112.5I50 Q51 I52 I64 V68 L103 L159 A163I50-L161 HydrophobicContact CG2-CB 4.4Å; I50-L161 HydrophobicContact CG2-CD2 4.37Å; Q51-L161 CarbonylContact O-C 3.57Å; Q51-L161 WeakPolarHBondContact O-CA 3.48Å; Q51-L161 VanDerWaalsContact O-CB 3.31Å; Q51-L161 WeakPolarHBondContact O-CB 3.24Å; I52-L161 HydrophobicContact CG1-CB 4.16Å; I64-L161 HydrophobicContact CG2-CD2 3.87Å; V68-L161 HydrophobicContact CG2-CD2 4.44Å; L103-L161 HydrophobicContact CB-CD1 3.73Å; L103-L161 HydrophobicContact CB-CG 3.93Å; L103-L161 HydrophobicContact CD2-CD1 4.29Å; L103-L161 HydrophobicContact CD2-CD2 4.04Å; L103-L161 HydrophobicContact CD2-CG 4.05Å; L103-L161 PolarHBondContact N-O 2.89Å; L103-L161 PolarHBondContact O-N 2.64Å; L159-L161 HydrophobicContact CD1-CD2 4.29Å; L159-L161 HydrophobicContact CD2-CD2 4.34Å; L159-L161 HydrophobicContact CG-CD2 4.35Å; L161-A163 HydrophobicContact CD1-CB 4.46Å
162R97.3Very high96.5Very high111 Ų11151.9 Ų51.942%0.41924%0.237SC..EExtended strand (participates in β ladder)trans-118.5139168.5-56.6-174.5-163-168.60.2108.7I50 Q51 D53 T102I50-R162 CarbonylContact C-O 3.56Å; I50-R162 WeakPolarHBondContact CA-O 3.4Å; Q51-R162 PolarHBondContact N-O 2.88Å; Q51-R162 PolarHBondContact O-N 2.54Å; D53-R162 IonicContact OD2-NE 3.29Å; T102-R162 HydrophobicContact CG2-CG 4.49Å
163A97Very high96.6Very high0 Ų051 Ų510%023%0.234CC..EExtended strand (participates in β ladder)trans-130.2138.8-177.600000110I47 W49 I50 E100 L101 L161I47-A163 HydrophobicContact CD1-CB 4.2Å; I47-A163 HydrophobicContact CG1-CB 4.48Å; I47-A163 HydrophobicContact CG2-CB 3.73Å; W49-A163 CarbonylContact O-C 3.5Å; W49-A163 VanDerWaalsContact O-CA 3.23Å; W49-A163 WeakPolarHBondContact O-CA 3.46Å; I50-A163 HydrophobicContact CG1-CB 4.3Å; E100-A163 CarbonylContact C-O 3.58Å; E100-A163 WeakPolarHBondContact CA-O 3.05Å; L101-A163 HydrophobicContact CB-CB 4.32Å; L101-A163 PolarHBondContact N-O 3.47Å; L101-A163 PolarHBondContact O-N 3.13Å; L161-A163 HydrophobicContact CD1-CB 4.46Å
164Y96.8Very high96.6Very high37 Ų3754.6 Ų54.615%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-113.6120.3170.9-63.3-83000109.4D48 W49 F93 V99 E100D48-Y164 PolarHBondContact N-O 3.36Å; 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 3.93Å; W49-Y164 HydrophobicContact CE3-CE2 3.93Å; W49-Y164 HydrophobicContact CZ3-CD2 4Å; W49-Y164 AromaticContact CZ3-CE2 3.87Å; W49-Y164 HydrophobicContact CZ3-CE2 3.87Å; W49-Y164 PolarHBondContact N-O 3.25Å; W49-Y164 VanDerWaalsContact N-O 3.17Å; W49-Y164 PolarHBondContact O-N 3.5Å; F93-Y164 HydrophobicContact CB-CD1 4.21Å; F93-Y164 HydrophobicContact CB-CE1 4.28Å; F93-Y164 HydrophobicContact CD1-CD1 4.42Å; F93-Y164 HydrophobicContact CD1-CG 4.15Å; F93-Y164 HydrophobicContact CD2-CD1 4.28Å; F93-Y164 AromaticContact CD2-CD2 3.86Å; F93-Y164 HydrophobicContact CD2-CD2 3.86Å; F93-Y164 HydrophobicContact CD2-CE1 4.3Å; F93-Y164 AromaticContact CD2-CE2 3.88Å; F93-Y164 HydrophobicContact CD2-CE2 3.88Å; F93-Y164 HydrophobicContact CD2-CG 4.09Å; F93-Y164 HydrophobicContact CE1-CD2 4.47Å; F93-Y164 HydrophobicContact CE1-CG 4.31Å; F93-Y164 AromaticContact CE2-CD2 3.73Å; F93-Y164 HydrophobicContact CE2-CD2 3.73Å; F93-Y164 AromaticContact CE2-CE2 3.96Å; F93-Y164 HydrophobicContact CE2-CE2 3.96Å; F93-Y164 HydrophobicContact CE2-CG 4.24Å; F93-Y164 HydrophobicContact CG-CD1 4.05Å; F93-Y164 HydrophobicContact CG-CD2 4.3Å; F93-Y164 HydrophobicContact CG-CE1 4.34Å; F93-Y164 HydrophobicContact CG-CG 4.05Å; F93-Y164 HydrophobicContact CZ-CD2 4.06Å; F93-Y164 HydrophobicContact CZ-CG 4.35Å; V99-Y164 WeakPolarHBondContact O-CA 3.34Å; E100-Y164 HydrophobicContact CB-CD1 4.03Å; E100-Y164 HydrophobicContact CB-CE1 3.78Å; E100-Y164 HydrophobicContact CG-CD1 4.32Å; E100-Y164 HydrophobicContact CG-CE1 3.78Å
165A96.8Very high96.6Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-89.2137173.500000110.7I45 A46 I47 L73 M82 S98 V99 L101I45-A165 HydrophobicContact CG2-CB 3.66Å; A46-A165 CarbonylContact O-C 3.58Å; A46-A165 VanDerWaalsContact O-CA 3.25Å; A46-A165 WeakPolarHBondContact O-CA 3.44Å; I47-A165 HydrophobicContact CG1-CB 4.27Å; L73-A165 HydrophobicContact CD1-CB 3.6Å; M82-A165 WeakPolarHBondContact CE-O 3.45Å; S98-A165 VanDerWaalsContact CA-O 3.3Å; S98-A165 WeakPolarHBondContact CA-O 3.28Å; V99-A165 HydrophobicContact CB-CB 4.47Å; V99-A165 PolarHBondContact N-O 2.92Å; V99-A165 PolarHBondContact O-N 3.19Å; L101-A165 HydrophobicContact CD1-CB 3.82Å
166K96.1Very high96.7Very high31 Ų3143.6 Ų43.614%0.13522%0.221CC..EExtended strand (participates in β ladder)trans-127.1153.7-177.6-64.1-178-168.21580110.9I45 A46 D48 W176I45-K166 WeakPolarHBondContact CA-O 3.43Å; A46-K166 PolarHBondContact N-O 3.17Å; A46-K166 PolarHBondContact O-N 2.91Å; D48-K166 HydrophobicContact CB-CB 4.18Å; D48-K166 HydrophobicContact CB-CD 3.96Å; D48-K166 HydrophobicContact CB-CG 4.1Å; D48-K166 WeakPolarHBondContact OD2-CD 3.28Å; D48-K166 IonicContact OD2-NZ 3.62Å; D48-K166 PolarHBondContact OD2-NZ 2.95Å; K166-W176 PolarHBondContact O-NE1 3.4Å
167K96.1Very high96.8Very high26 Ų2643.5 Ų43.511%0.11321%0.208CC..EExtended strand (participates in β ladder)trans-70.3126.3168.3-177.4176.2178.9166.80110.1P43 T44 V79 M82 Y84P43-K167 HydrophobicContact CB-CG 4.29Å; T44-K167 WeakPolarHBondContact O-CA 3.39Å; V79-K167 HydrophobicContact CG2-CD 4.41Å; V79-K167 HydrophobicContact CG2-CG 4.3Å; V79-K167 WeakPolarHBondContact O-CD 3.42Å; V79-K167 VanDerWaalsContact O-CE 3.26Å; V79-K167 WeakPolarHBondContact O-CE 3.42Å; V79-K167 PolarHBondContact O-NZ 3.49Å; M82-K167 HydrophobicContact CB-CD 4.43Å; M82-K167 HydrophobicContact CG-CB 4.26Å; M82-K167 WeakPolarHBondContact O-CD 3.16Å; M82-K167 PolarHBondContact O-NZ 2.86Å; M82-K167 HydrophobicContact SD-CB 4Å; Y84-K167 HydrophobicContact CD1-CB 4.45Å; Y84-K167 HydrophobicContact CD1-CD 4.38Å; Y84-K167 HydrophobicContact CD1-CG 4.1Å; Y84-K167 HydrophobicContact CE1-CD 4.23Å; Y84-K167 HydrophobicContact CE1-CG 3.84Å
168G96.4Very high96.7Very high0 Ų041.9 Ų41.90%020%0.2CC..EExtended strand (participates in β ladder)trans-148.6-175.6175.700000110.6P43 T44P43-G168 CarbonylContact C-O 3.49Å; P43-G168 WeakPolarHBondContact CA-O 3.39Å; T44-G168 PolarHBondContact N-O 2.85Å; T44-G168 PolarHBondContact O-N 2.91Å
169F96.3Very high96.6Very high37 Ų3740.3 Ų40.316%0.16219%0.193CC..EExtended strand (participates in β ladder)trans-141.8155.2177.452.1-91.9000110.5S40 Y84 K171 E172 W176S40-F169 WeakPolarHBondContact O-CD2 3.03Å; Y84-F169 HydrophobicContact CE1-CD1 4.01Å; Y84-F169 HydrophobicContact CE1-CE1 4.25Å; F169-K171 HydrophobicContact CD2-CB 3.73Å; F169-K171 HydrophobicContact CE2-CB 3.78Å; F169-K171 HydrophobicContact CE2-CD 4.44Å; F169-K171 HydrophobicContact CE2-CG 4.49Å; F169-K171 PolarHBondContact O-N 2.76Å; F169-E172 HydrophobicContact CD2-CG 4.33Å; F169-E172 HydrophobicContact CE1-CG 4.26Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.26Å; F169-E172 HydrophobicContact CE2-CG 3.78Å; F169-E172 HydrophobicContact CZ-CG 3.74Å; F169-E172 VanDerWaalsContact CZ-OE1 3.31Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.26Å; F169-E172 PolarHBondContact O-N 3.29Å; F169-W176 VanDerWaalsContact C-CB 3.49Å
170G95.3Very high96.5Very high17 Ų1743.4 Ų43.418%0.17522%0.219CC..THydrogen-bonded Turntrans-57.7-22.5-168.600000116.3S40 E172 H173S40-G170 PolarHBondContact O-N 2.77Å; G170-E172 VanDerWaalsContact C-N 3.29Å; G170-E172 PolarHBondContact O-N 3.17Å; G170-H173 CarbonylContact O-C 3.58Å
171K96.4Very high96.3Very high128 Ų12840.2 Ų40.256%0.55721%0.214SC*.THydrogen-bonded Turntrans-68.1-25.6174.8-174.5-174.6-63.61710113.2S40 E41 F169S40-K171 WeakPolarHBondContact O-CB 3.44Å; S40-K171 PolarHBondContact O-N 3.15Å; E41-K171 IonicContact OE1-NZ 3.68Å; E41-K171 PolarHBondContact OE1-NZ 3.41Å; F169-K171 HydrophobicContact CD2-CB 3.73Å; F169-K171 HydrophobicContact CE2-CB 3.78Å; F169-K171 HydrophobicContact CE2-CD 4.44Å; F169-K171 HydrophobicContact CE2-CG 4.49Å; F169-K171 PolarHBondContact O-N 2.76Å
172E96.2Very high96.4Very high91 Ų9141 Ų4143%0.42522%0.219SC..THydrogen-bonded Turntrans-78.3-44.9174.5-69.8179.317900111.3R86 F169 G170 W176R86-E172 IonicContact CZ-OE1 2.71Å; R86-E172 IonicContact NH1-OE1 3.77Å; R86-E172 PolarHBondContact NH1-OE1 2.96Å; F169-E172 HydrophobicContact CD2-CG 4.33Å; F169-E172 HydrophobicContact CE1-CG 4.26Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.26Å; F169-E172 HydrophobicContact CE2-CG 3.78Å; F169-E172 HydrophobicContact CZ-CG 3.74Å; F169-E172 VanDerWaalsContact CZ-OE1 3.31Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.26Å; F169-E172 PolarHBondContact O-N 3.29Å; G170-E172 VanDerWaalsContact C-N 3.29Å; G170-E172 PolarHBondContact O-N 3.17Å; E172-W176 HydrophobicContact CB-CE3 4.12Å; E172-W176 HydrophobicContact CB-CZ3 3.94Å
173H97.8Very high96.3Very high90 Ų9039 Ų3942%0.41722%0.222SC..  trans-160.1149.2177.1-169.8-92.6000111.2G170 K175 W176G170-H173 CarbonylContact O-C 3.58Å; H173-K175 HydrophobicContact CB-CG 4.22Å; H173-K175 WeakPolarHBondContact ND1-CB 3.43Å; H173-K175 VanDerWaalsContact ND1-CG 3.28Å; H173-K175 WeakPolarHBondContact ND1-CG 3.22Å; H173-K175 PolarHBondContact ND1-N 3.44Å; H173-K175 VanDerWaalsContact ND1-N 3.14Å; H173-K175 PolarHBondContact O-N 2.69Å; H173-K175 VanDerWaalsContact O-N 3.1Å; H173-W176 HydrophobicContact CB-CE3 3.54Å; H173-W176 HydrophobicContact CB-CZ3 3.48Å; H173-W176 VanDerWaalsContact CB-CZ3 3.48Å; H173-W176 PolarHBondContact O-N 3.16Å; H173-W176 VanDerWaalsContact O-N 3.09Å
174A96.6Very high96.4Very high77 Ų7741.4 Ų41.464%0.63623%0.232SC*.G310 helixtrans-60.2-24.4-177.700000114.4W176 N177A174-W176 PolarHBondContact O-N 3.25Å; A174-W176 VanDerWaalsContact O-N 3.16Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.25Å; A174-N177 PolarHBondContact O-N 3.38Å
175K96.6Very high96.4Very high42 Ų4242.4 Ų42.418%0.18324%0.238CC..G310 helixtrans-60.4-21.3176.175.5-172.3175.3177.60114A46 I47 D48 G69 L70 H173A46-K175 HydrophobicContact CB-CB 4.44Å; A46-K175 HydrophobicContact CB-CD 4.31Å; A46-K175 HydrophobicContact CB-CG 3.98Å; I47-K175 PolarHBondContact O-NZ 2.74Å; D48-K175 IonicContact OD1-NZ 3.57Å; D48-K175 PolarHBondContact OD1-NZ 2.69Å; G69-K175 WeakPolarHBondContact O-CB 3.12Å; L70-K175 HydrophobicContact CD2-CB 3.83Å; H173-K175 HydrophobicContact CB-CG 4.22Å; H173-K175 WeakPolarHBondContact ND1-CB 3.43Å; H173-K175 VanDerWaalsContact ND1-CG 3.28Å; H173-K175 WeakPolarHBondContact ND1-CG 3.22Å; H173-K175 PolarHBondContact ND1-N 3.44Å; H173-K175 VanDerWaalsContact ND1-N 3.14Å; H173-K175 PolarHBondContact O-N 2.69Å; H173-K175 VanDerWaalsContact O-N 3.1Å
176W97.1Very high96.4Very high14 Ų1445.5 Ų45.55%0.05325%0.25CS..G310 helixtrans-96.913.1176.5-69.9-70.6000113.1T44 A46 D48 K166 F169 E172 H173 A174 P178T44-W176 WeakPolarHBondContact OG1-CA 3.29Å; T44-W176 WeakPolarHBondContact OG1-CB 3.35Å; T44-W176 PolarHBondContact OG1-O 3.5Å; A46-W176 HydrophobicContact CB-CG 4.29Å; D48-W176 HydrophobicContact CB-CZ2 4.22Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.3Å; K166-W176 PolarHBondContact O-NE1 3.4Å; F169-W176 VanDerWaalsContact C-CB 3.49Å; E172-W176 HydrophobicContact CB-CE3 4.12Å; E172-W176 HydrophobicContact CB-CZ3 3.94Å; H173-W176 HydrophobicContact CB-CE3 3.54Å; H173-W176 HydrophobicContact CB-CZ3 3.48Å; H173-W176 VanDerWaalsContact CB-CZ3 3.48Å; H173-W176 PolarHBondContact O-N 3.16Å; H173-W176 VanDerWaalsContact O-N 3.09Å; A174-W176 PolarHBondContact O-N 3.25Å; A174-W176 VanDerWaalsContact O-N 3.16Å; W176-P178 VanDerWaalsContact O-CD 3.28Å; W176-P178 WeakPolarHBondContact O-CD 3.49Å
177N96.5Very high96.4Very high49 Ų4945.7 Ų45.726%0.26225%0.253SS..  trans-73.6117173.7-175.22.1000109.8M39 A174 T179 C236M39-N177 PolarHBondContact O-OD1 3.45Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.25Å; A174-N177 PolarHBondContact O-N 3.38Å; N177-T179 VanDerWaalsContact C-N 3.27Å; N177-T179 VanDerWaalsContact CG-O 3.31Å; N177-T179 PolarHBondContact ND2-O 3.06Å; N177-T179 PolarHBondContact O-N 3.5Å; N177-T179 PolarHBondContact OD1-N 3.39Å; N177-T179 PolarHBondContact OD1-O 3Å; N177-T179 PolarHBondContact OD1-OG1 3.07Å; N177-C236 PolarHBondContact O-SG 3.34Å; N177-C236 VanDerWaalsContact O-SG 3.38Å
178P95.3Very high96.4Very high0 Ų046 Ų460%026%0.257CS..  trans-79.2-9.7178.826.2-25000113.9V42 T44 W176 C236 L239 I244V42-P178 HydrophobicContact CB-CG 3.74Å; V42-P178 HydrophobicContact CG1-CB 4.34Å; V42-P178 HydrophobicContact CG1-CG 3.76Å; T44-P178 HydrophobicContact CG2-CB 3.54Å; T44-P178 HydrophobicContact CG2-CG 4.05Å; W176-P178 VanDerWaalsContact O-CD 3.28Å; W176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-C236 PolarHBondContact O-N 3.05Å; P178-C236 VanDerWaalsContact O-N 3.07Å; P178-C236 PolarHBondContact O-SG 3.34Å; P178-L239 HydrophobicContact CB-CD1 4.04Å; P178-I244 HydrophobicContact CB-CD1 3.96Å; P178-I244 HydrophobicContact CB-CG1 4.05Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 VanDerWaalsContact O-CD1 3.28Å; P178-I244 WeakPolarHBondContact O-CD1 3.4Å
179T95.8Very high96.4Very high6 Ų647.1 Ų47.14%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-108139.4-175.461.20000110.5F38 N177 V182 V233 E234 I244F38-T179 HydrophobicContact CB-CG2 4.49Å; N177-T179 VanDerWaalsContact C-N 3.27Å; N177-T179 VanDerWaalsContact CG-O 3.31Å; N177-T179 PolarHBondContact ND2-O 3.06Å; N177-T179 PolarHBondContact O-N 3.5Å; N177-T179 PolarHBondContact OD1-N 3.39Å; N177-T179 PolarHBondContact OD1-O 3Å; N177-T179 PolarHBondContact OD1-OG1 3.07Å; T179-V182 HydrophobicContact CG2-CG2 3.86Å; T179-V233 HydrophobicContact CG2-CG1 3.95Å; T179-E234 CarbonylContact C-O 3.59Å; T179-E234 VanDerWaalsContact CA-O 3.24Å; T179-E234 WeakPolarHBondContact CA-O 3.48Å; T179-E234 WeakPolarHBondContact CB-O 3.35Å; T179-I244 HydrophobicContact CG2-CD1 4.28Å; T179-I244 HydrophobicContact CG2-CG2 4.02Å
180A94.7Very high96.3Very high65 Ų6545.6 Ų45.654%0.53726%0.257SS..EExtended strand (participates in β ladder)trans-78.1-43.1164.400000109.7E234A180-E234 HydrophobicContact CB-CG 3.87Å; A180-E234 PolarHBondContact N-O 3.44Å
181G95.3Very high96.3Very high23 Ų2345.8 Ų45.824%0.23726%0.257CS..EExtended strand (participates in β ladder)trans-151.5149.9179.200000112.4E234G181-E234 PolarHBondContact O-N 2.95Å
182V97.4Very high96.3Very high17 Ų1740.9 Ų40.910%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-129.299.9169.6-175.60000108.5R35 F38 M39 T179 F231 N232 V233R35-V182 HydrophobicContact CG-CG1 3.85Å; F38-V182 HydrophobicContact CB-CG2 4.27Å; F38-V182 HydrophobicContact CD2-CG1 4.21Å; M39-V182 HydrophobicContact CG-CG2 3.92Å; T179-V182 HydrophobicContact CG2-CG2 3.86Å; V182-F231 HydrophobicContact CG1-CD1 4.37Å; V182-N232 CarbonylContact C-O 3.59Å; V182-N232 WeakPolarHBondContact CA-O 3.41Å; V182-V233 HydrophobicContact CG1-CG2 4.16Å
183S97.1Very high96.3Very high68 Ų6840.1 Ų40.148%0.47623%0.23SC..EExtended strand (participates in β ladder)trans-75.6138.5172.9-47.80000109.2F231 N232S183-F231 WeakPolarHBondContact O-CA 3.44Å; S183-N232 PolarHBondContact N-O 3.22Å; S183-N232 PolarHBondContact O-N 3.25Å; S183-N232 VanDerWaalsContact O-N 3.12Å
184F97.4Very high96.1Very high52 Ų5241 Ų4123%0.22823%0.234CC..EExtended strand (participates in β ladder)trans-146.5119.7-176.5175-99.4000109L28 A31 Y186 F229 Y230 F231L28-F184 HydrophobicContact CD1-CE1 4.09Å; L28-F184 HydrophobicContact CD1-CZ 3.73Å; A31-F184 HydrophobicContact CB-CE2 3.9Å; A31-F184 HydrophobicContact CB-CZ 4.28Å; F184-Y186 AromaticContact CE1-CD1 3.77Å; F184-Y186 HydrophobicContact CE1-CD1 3.77Å; F184-Y186 HydrophobicContact CE1-CE1 4.16Å; F184-Y186 HydrophobicContact CZ-CD1 4.12Å; F184-F229 HydrophobicContact CE2-CB 4.25Å; F184-F229 AromaticContact CE2-CD1 3.92Å; F184-F229 HydrophobicContact CE2-CD1 3.92Å; F184-F229 HydrophobicContact CE2-CG 4.44Å; F184-F229 AromaticContact CZ-CD1 3.75Å; F184-F229 HydrophobicContact CZ-CD1 3.75Å; F184-F229 HydrophobicContact CZ-CE1 4.37Å; F184-Y230 WeakPolarHBondContact CA-O 3.33Å; F184-F231 HydrophobicContact CD2-CD1 4.16Å; F184-F231 HydrophobicContact CD2-CD2 4.42Å; F184-F231 AromaticContact CD2-CE1 3.57Å; F184-F231 HydrophobicContact CD2-CE1 3.57Å; F184-F231 AromaticContact CD2-CE2 3.85Å; F184-F231 HydrophobicContact CD2-CE2 3.85Å; F184-F231 AromaticContact CD2-CZ 3.38Å; F184-F231 HydrophobicContact CD2-CZ 3.38Å; F184-F231 HydrophobicContact CE2-CE1 4.16Å; F184-F231 AromaticContact CE2-CE2 3.83Å; F184-F231 HydrophobicContact CE2-CE2 3.83Å; F184-F231 AromaticContact CE2-CZ 3.5Å; F184-F231 HydrophobicContact CE2-CZ 3.5Å; F184-F231 VanDerWaalsContact CE2-CZ 3.5Å
185E97.4Very high96.1Very high57 Ų5740.2 Ų40.227%0.26622%0.222SC..EExtended strand (participates in β ladder)trans-139.7148.8-179.6-171.4171.9169.400110.1P188 S206 Y208 Y230E185-P188 WeakPolarHBondContact OE1-CB 3.26Å; E185-S206 VanDerWaalsContact CD-OG 3.26Å; E185-S206 WeakPolarHBondContact OE1-CB 3.44Å; E185-S206 PolarHBondContact OE1-OG 3.03Å; E185-S206 PolarHBondContact OE2-OG 3.22Å; E185-Y208 HydrophobicContact CB-CD2 4.44Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.26Å; E185-Y230 PolarHBondContact N-O 3.43Å; E185-Y230 PolarHBondContact O-N 3.01Å
186Y97.2Very high96.1Very high65 Ų6544.2 Ų44.226%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-153.1152.717371.7-81.6000108.7L28 F184 H194 P226 F229L28-Y186 HydrophobicContact CD1-CD1 4.23Å; L28-Y186 HydrophobicContact CD1-CE1 4.05Å; F184-Y186 AromaticContact CE1-CD1 3.77Å; F184-Y186 HydrophobicContact CE1-CD1 3.77Å; F184-Y186 HydrophobicContact CE1-CE1 4.16Å; F184-Y186 HydrophobicContact CZ-CD1 4.12Å; Y186-H194 AromaticContact CE2-CE1 3.93Å; Y186-H194 AromaticContact CE2-ND1 3.41Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.35Å; Y186-H194 AromaticContact CZ-ND1 3.98Å; Y186-P226 HydrophobicContact CD2-CB 4.08Å; Y186-P226 HydrophobicContact CD2-CG 4.42Å; Y186-P226 HydrophobicContact CE2-CB 4.36Å; Y186-P226 HydrophobicContact CE2-CG 4.24Å; Y186-F229 HydrophobicContact CD2-CE1 4.47Å; Y186-F229 HydrophobicContact CG-CD1 4.16Å; Y186-F229 HydrophobicContact CG-CE1 4.11Å
187D96.1Very high95.9Very high36 Ų3646.4 Ų46.419%0.19326%0.258CS..  trans49.659.4-177.4-172.932.9000113D189 N190 A191 L192D187-D189 PolarHBondContact O-N 2.85Å; D187-N190 PolarHBondContact O-N 2.67Å; D187-N190 PolarHBondContact OD1-N 2.85Å; D187-N190 VanDerWaalsContact OD2-C 3.27Å; D187-N190 WeakPolarHBondContact OD2-CA 3.34Å; D187-A191 WeakPolarHBondContact OD1-CB 3.2Å; D187-A191 PolarHBondContact OD1-N 3.18Å; D187-A191 PolarHBondContact OD2-N 3.32Å; D187-L192 HydrophobicContact CB-CD1 4.29Å; D187-L192 VanDerWaalsContact OD2-CB 3.29Å; D187-L192 WeakPolarHBondContact OD2-CB 3.42Å; D187-L192 WeakPolarHBondContact OD2-CG 3.45Å; D187-L192 PolarHBondContact OD2-N 3.25Å
188P95.8Very high95.8Very high31 Ų3149.8 Ų49.820%0.20128%0.282CS..THydrogen-bonded Turntrans-58.1-33.7-173.723.3-33.6000112.7E185 N190 Y208 Y230E185-P188 WeakPolarHBondContact OE1-CB 3.26Å; P188-N190 VanDerWaalsContact C-N 3.3Å; P188-N190 PolarHBondContact O-N 3.4Å; P188-Y208 VanDerWaalsContact CG-O 3.28Å; P188-Y208 WeakPolarHBondContact CG-O 3.49Å; P188-Y230 HydrophobicContact CG-CE2 4.35Å
189D95.4Very high95.8Very high24 Ų2457 Ų5713%0.12831%0.31CS..THydrogen-bonded Turntrans-905.9-177.9-55.2-44.5000113.4D187 A191 S209 E210 I211 A218D187-D189 PolarHBondContact O-N 2.85Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.92Å; D189-S209 VanDerWaalsContact OD1-CA 3.3Å; D189-S209 WeakPolarHBondContact OD1-CA 3.3Å; D189-S209 VanDerWaalsContact OD1-CB 3.26Å; D189-S209 WeakPolarHBondContact OD1-CB 3.3Å; D189-S209 PolarHBondContact OD1-OG 3.45Å; D189-E210 PolarHBondContact OD2-N 3.27Å; D189-I211 HydrophobicContact CB-CD1 4.45Å; D189-I211 HydrophobicContact CB-CG2 3.92Å; D189-A218 HydrophobicContact CB-CB 3.62Å; D189-A218 PolarHBondContact O-N 3.34Å
190N95.8Very high95.6Very high5 Ų558.5 Ų58.53%0.02732%0.32CS..  trans5733.4176.6-169.640.4000114.4D187 P188 L192 R193 H194 T195 Y197D187-N190 PolarHBondContact O-N 2.67Å; D187-N190 PolarHBondContact OD1-N 2.85Å; D187-N190 VanDerWaalsContact OD2-C 3.27Å; D187-N190 WeakPolarHBondContact OD2-CA 3.34Å; P188-N190 VanDerWaalsContact C-N 3.3Å; P188-N190 PolarHBondContact O-N 3.4Å; N190-L192 PolarHBondContact O-N 3.09Å; N190-R193 WeakPolarHBondContact O-CD 3.45Å; N190-R193 PolarHBondContact O-N 3.18Å; N190-R193 VanDerWaalsContact O-N 3.09Å; N190-R193 PolarHBondContact O-NH1 3.01Å; N190-R193 WeakPolarHBondContact OD1-CA 3.29Å; N190-H194 PolarHBondContact OD1-N 3.04Å; N190-T195 PolarHBondContact ND2-O 2.96Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.26Å; N190-T195 PolarHBondContact OD1-N 3.06Å; N190-T195 PolarHBondContact OD1-O 3.31Å; N190-Y197 HydrophobicContact CB-CE2 3.88Å; N190-Y197 WeakPolarHBondContact ND2-CD2 3.27Å; N190-Y197 WeakPolarHBondContact ND2-CE2 3.45Å
191A94.9Very high95.5Very high22 Ų2263.4 Ų63.418%0.18233%0.332CS..THydrogen-bonded Turntrans-57.3-31.6-179.500000112.5D187 D189 A218 Y220 D221D187-A191 WeakPolarHBondContact OD1-CB 3.2Å; D187-A191 PolarHBondContact OD1-N 3.18Å; D187-A191 PolarHBondContact OD2-N 3.32Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 2.92Å; A191-A218 HydrophobicContact CB-CB 3.88Å; A191-Y220 WeakPolarHBondContact O-CD2 3.33Å; A191-D221 PolarHBondContact O-N 3.23Å
192L95.5Very high95.5Very high25 Ų2568.2 Ų68.213%0.13135%0.348CS..THydrogen-bonded Turntrans-86-10.7-177.6-55.4177000113.4D187 N190 H194 G224 P226D187-L192 HydrophobicContact CB-CD1 4.29Å; D187-L192 VanDerWaalsContact OD2-CB 3.29Å; D187-L192 WeakPolarHBondContact OD2-CB 3.42Å; D187-L192 WeakPolarHBondContact OD2-CG 3.45Å; D187-L192 PolarHBondContact OD2-N 3.25Å; N190-L192 PolarHBondContact O-N 3.09Å; L192-H194 VanDerWaalsContact C-N 3.27Å; L192-H194 PolarHBondContact O-N 2.97Å; L192-G224 VanDerWaalsContact CD2-C 3.46Å; L192-P226 HydrophobicContact CD1-CB 4.38Å; L192-P226 HydrophobicContact CD1-CG 3.74Å
193R95.7Very high95.3Very high74 Ų7474.2 Ų74.228%0.27937%0.369SS..  trans56.337.8-178.1-58.2-65-170.9-83.26.2113.4N190 T195 A218 Y220N190-R193 WeakPolarHBondContact O-CD 3.45Å; N190-R193 PolarHBondContact O-N 3.18Å; N190-R193 VanDerWaalsContact O-N 3.09Å; N190-R193 PolarHBondContact O-NH1 3.01Å; N190-R193 WeakPolarHBondContact OD1-CA 3.29Å; R193-T195 PolarHBondContact O-N 3.16Å; R193-A218 PolarHBondContact NH1-O 2.94Å; R193-A218 PolarHBondContact NH2-O 2.94Å; R193-Y220 HydrophobicContact CB-CD2 4.04Å; R193-Y220 HydrophobicContact CB-CE2 3.95Å; R193-Y220 HydrophobicContact CG-CD2 3.3Å; R193-Y220 HydrophobicContact CG-CE2 3.74Å; R193-Y220 HydrophobicContact CG-CG 4.09Å
194H95.5Very high95.1Very high108 Ų10876.6 Ų76.650%0.538%0.383SS..SBendtrans-65.4-24.2170.1-72.2137.7000112.8Y186 N190 L192Y186-H194 AromaticContact CE2-CE1 3.93Å; Y186-H194 AromaticContact CE2-ND1 3.41Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.35Å; Y186-H194 AromaticContact CZ-ND1 3.98Å; N190-H194 PolarHBondContact OD1-N 3.04Å; L192-H194 VanDerWaalsContact C-N 3.27Å; L192-H194 PolarHBondContact O-N 2.97Å
195T95.9Very high94.9Very high62 Ų6278.2 Ų78.238%0.3839%0.389SS..SBendtrans-117.7143.9165.3-175.60000109.9N190 R193 Y197N190-T195 PolarHBondContact ND2-O 2.96Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.26Å; N190-T195 PolarHBondContact OD1-N 3.06Å; N190-T195 PolarHBondContact OD1-O 3.31Å; R193-T195 PolarHBondContact O-N 3.16Å; T195-Y197 HydrophobicContact CG2-CD2 4.09Å; T195-Y197 HydrophobicContact CG2-CE1 3.97Å; T195-Y197 HydrophobicContact CG2-CE2 3.49Å; T195-Y197 VanDerWaalsContact CG2-CE2 3.49Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.42Å
196V95.6Very high94.8Very high126 Ų12677.3 Ų77.376%0.76439%0.39SS*.  trans-111.9104.1177.9-178.20000108.1
197Y93.9Very high94.6Very high60 Ų6080.9 Ų80.924%0.23541%0.409CS..  trans-78126179.8-62.3-72.2000110.6N190 T195 R199 W203N190-Y197 HydrophobicContact CB-CE2 3.88Å; N190-Y197 WeakPolarHBondContact ND2-CD2 3.27Å; N190-Y197 WeakPolarHBondContact ND2-CE2 3.45Å; T195-Y197 HydrophobicContact CG2-CD2 4.09Å; T195-Y197 HydrophobicContact CG2-CE1 3.97Å; T195-Y197 HydrophobicContact CG2-CE2 3.49Å; T195-Y197 VanDerWaalsContact CG2-CE2 3.49Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.42Å; Y197-R199 VanDerWaalsContact C-N 3.34Å; Y197-W203 AromaticContact CD1-CD1 3.61Å; Y197-W203 AromaticContact CD1-CD2 3.64Å; Y197-W203 HydrophobicContact CD1-CD2 3.64Å; Y197-W203 AromaticContact CD1-CE2 3.45Å; Y197-W203 VanDerWaalsContact CD1-CE2 3.45Å; Y197-W203 HydrophobicContact CD1-CE3 4.37Å; Y197-W203 AromaticContact CD1-CG 3.75Å; Y197-W203 HydrophobicContact CD1-CG 3.75Å; Y197-W203 HydrophobicContact CD1-CZ2 4.03Å; Y197-W203 AromaticContact CD1-NE1 3.44Å; Y197-W203 AromaticContact CE1-CD2 3.48Å; Y197-W203 HydrophobicContact CE1-CD2 3.48Å; Y197-W203 VanDerWaalsContact CE1-CD2 3.48Å; Y197-W203 AromaticContact CE1-CE2 3.71Å; Y197-W203 AromaticContact CE1-CE3 3.78Å; Y197-W203 HydrophobicContact CE1-CE3 3.78Å; Y197-W203 AromaticContact CE1-CG 3.81Å; Y197-W203 HydrophobicContact CE1-CG 3.81Å; Y197-W203 HydrophobicContact CE1-CH2 4.42Å; Y197-W203 HydrophobicContact CE1-CZ2 4.18Å; Y197-W203 HydrophobicContact CE1-CZ3 4.24Å
198P94.6Very high94.5Very high119 Ų11981 Ų8177%0.77341%0.407SS*.SBendtrans-69.3-36.1177.527-33.3000111.7
199R94.4Very high94.4Very high152 Ų15280.9 Ų80.957%0.57441%0.407SS*.SBendtrans-136.690.9174.6-69.5-178-179.9179.4-0.2108.3Y197 E201 E202 W203Y197-R199 VanDerWaalsContact C-N 3.34Å; R199-E201 PolarHBondContact O-N 2.85Å; R199-E202 HydrophobicContact CB-CG 4.03Å; R199-E202 WeakPolarHBondContact CD-OE1 3.46Å; R199-E202 IonicContact CZ-OE1 3.53Å; R199-E202 IonicContact NE-OE1 3.86Å; R199-E202 IonicContact NH1-OE1 3.06Å; R199-E202 PolarHBondContact NH1-OE1 3Å; R199-E202 PolarHBondContact O-N 3.49Å; R199-W203 VanDerWaalsContact O-CD1 3.23Å
200P92.5Very high94.1Very high38 Ų3886.3 Ų86.325%0.24743%0.431CS..G310 helixtrans-52.1-36.2-179-31.539.1000113.6E202 W203 V216 Q217P200-E202 PolarHBondContact O-N 3.18Å; P200-W203 PolarHBondContact O-N 3.02Å; P200-W203 VanDerWaalsContact O-N 3.15Å; P200-V216 HydrophobicContact CB-CB 4.17Å; P200-V216 HydrophobicContact CB-CG1 3.33Å; P200-V216 WeakPolarHBondContact O-CG1 3.48Å; P200-Q217 HydrophobicContact CB-CG 4.3Å; P200-Q217 VanDerWaalsContact CG-NE2 3.25Å
201E92.8Very high93.9Very high168 Ų16887.6 Ų87.679%0.78544%0.437SS*.G310 helixtrans-65.6-21.9-172-28.3178.1-140.300113.3R199 W203R199-E201 PolarHBondContact O-N 2.85Å; E201-W203 VanDerWaalsContact C-N 3.3Å
202E94.1Very high93.5Very high124 Ų12493.3 Ų93.358%0.57946%0.46SS*.G310 helixtrans-82.8-8.8-179-65179.2178.500112.4R199 P200R199-E202 HydrophobicContact CB-CG 4.03Å; R199-E202 WeakPolarHBondContact CD-OE1 3.46Å; R199-E202 IonicContact CZ-OE1 3.53Å; R199-E202 IonicContact NE-OE1 3.86Å; R199-E202 IonicContact NH1-OE1 3.06Å; R199-E202 PolarHBondContact NH1-OE1 3Å; R199-E202 PolarHBondContact O-N 3.49Å; P200-E202 PolarHBondContact O-N 3.18Å
203W93.4Very high92.8Very high143 Ų143100.9 Ų100.954%0.54250%0.495SS..SBendtrans-96.7129.6-174.4-67.578.6000111.6Y197 R199 P200 E201Y197-W203 AromaticContact CD1-CD1 3.61Å; Y197-W203 AromaticContact CD1-CD2 3.64Å; Y197-W203 HydrophobicContact CD1-CD2 3.64Å; Y197-W203 AromaticContact CD1-CE2 3.45Å; Y197-W203 VanDerWaalsContact CD1-CE2 3.45Å; Y197-W203 HydrophobicContact CD1-CE3 4.37Å; Y197-W203 AromaticContact CD1-CG 3.75Å; Y197-W203 HydrophobicContact CD1-CG 3.75Å; Y197-W203 HydrophobicContact CD1-CZ2 4.03Å; Y197-W203 AromaticContact CD1-NE1 3.44Å; Y197-W203 AromaticContact CE1-CD2 3.48Å; Y197-W203 HydrophobicContact CE1-CD2 3.48Å; Y197-W203 VanDerWaalsContact CE1-CD2 3.48Å; Y197-W203 AromaticContact CE1-CE2 3.71Å; Y197-W203 AromaticContact CE1-CE3 3.78Å; Y197-W203 HydrophobicContact CE1-CE3 3.78Å; Y197-W203 AromaticContact CE1-CG 3.81Å; Y197-W203 HydrophobicContact CE1-CG 3.81Å; Y197-W203 HydrophobicContact CE1-CH2 4.42Å; Y197-W203 HydrophobicContact CE1-CZ2 4.18Å; Y197-W203 HydrophobicContact CE1-CZ3 4.24Å; R199-W203 VanDerWaalsContact O-CD1 3.23Å; P200-W203 PolarHBondContact O-N 3.02Å; P200-W203 VanDerWaalsContact O-N 3.15Å; E201-W203 VanDerWaalsContact C-N 3.3Å
204P94Very high92.2Very high118 Ų118104.6 Ų104.677%0.76652%0.52SS*.PPolyproline II helixtrans-72.1153174.931.4-34.7000111
205K92.9Very high91.9Very high85 Ų85103.6 Ų103.637%0.3752%0.516SS..PPolyproline II helixtrans-80.8141.3175.2-64.8-179.9179.1173.40111I211 E212 E213 E215K205-I211 HydrophobicContact CD-CG1 4.32Å; K205-E212 PolarHBondContact NZ-O 2.81Å; K205-E213 VanDerWaalsContact NZ-C 3.28Å; K205-E213 VanDerWaalsContact NZ-CA 3.3Å; K205-E213 PolarHBondContact NZ-O 2.86Å; K205-E215 WeakPolarHBondContact CE-O 3.28Å; K205-E215 PolarHBondContact NZ-O 3.26Å
206S94.2Very high91.6Very high39 Ų39104 Ų10427%0.27352%0.518SS..PPolyproline II helixtrans-72.5162173.5-178.20000111.3E185 Y208 S209E185-S206 VanDerWaalsContact CD-OG 3.26Å; E185-S206 WeakPolarHBondContact OE1-CB 3.44Å; E185-S206 PolarHBondContact OE1-OG 3.03Å; E185-S206 PolarHBondContact OE2-OG 3.22Å; S206-Y208 PolarHBondContact O-N 3.25Å; S206-Y208 PolarHBondContact OG-N 3.4Å; S206-S209 VanDerWaalsContact O-CB 3.26Å; S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.13Å
207E93.5Very high91.4Very high140 Ų14099.8 Ų99.865%0.65449%0.49SS*.THydrogen-bonded Turntrans-61.5-19171.164.3178-17600113
208Y94.7Very high91.3Very high39 Ų3997.6 Ų97.615%0.15348%0.484CS..THydrogen-bonded Turntrans-96.1-1.1178.1-53.3-62000114.1E185 P188 S206 Y230E185-Y208 HydrophobicContact CB-CD2 4.44Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.26Å; P188-Y208 VanDerWaalsContact CG-O 3.28Å; P188-Y208 WeakPolarHBondContact CG-O 3.49Å; S206-Y208 PolarHBondContact O-N 3.25Å; S206-Y208 PolarHBondContact OG-N 3.4Å; Y208-Y230 AromaticContact CD1-CD1 3.19Å; Y208-Y230 HydrophobicContact CD1-CD1 3.19Å; Y208-Y230 AromaticContact CD1-CE1 3.57Å; Y208-Y230 HydrophobicContact CD1-CE1 3.57Å; Y208-Y230 AromaticContact CD1-CG 3.8Å; Y208-Y230 HydrophobicContact CD1-CG 3.8Å; Y208-Y230 HydrophobicContact CD2-CD1 4.17Å; Y208-Y230 HydrophobicContact CD2-CD2 4.36Å; Y208-Y230 AromaticContact CD2-CG 3.9Å; Y208-Y230 HydrophobicContact CD2-CG 3.9Å; Y208-Y230 AromaticContact CE1-CD1 3.58Å; Y208-Y230 HydrophobicContact CE1-CD1 3.58Å; Y208-Y230 HydrophobicContact CE1-CE1 4.34Å; Y208-Y230 HydrophobicContact CE1-CG 4.13Å; Y208-Y230 HydrophobicContact CE2-CG 4.25Å; Y208-Y230 AromaticContact CG-CD1 3.53Å; Y208-Y230 HydrophobicContact CG-CD1 3.53Å; Y208-Y230 HydrophobicContact CG-CD2 4.14Å; Y208-Y230 AromaticContact CG-CE1 3.88Å; Y208-Y230 HydrophobicContact CG-CE1 3.88Å; Y208-Y230 HydrophobicContact CG-CE2 4.46Å; Y208-Y230 AromaticContact CG-CG 3.67Å; Y208-Y230 HydrophobicContact CG-CG 3.67Å
209S93.6Very high91.2Very high28 Ų2896.8 Ų96.820%0.19648%0.479CS..  trans-66.9129.5177.3-177.10000110.4D189 S206 I211D189-S209 VanDerWaalsContact OD1-CA 3.3Å; D189-S209 WeakPolarHBondContact OD1-CA 3.3Å; D189-S209 VanDerWaalsContact OD1-CB 3.26Å; D189-S209 WeakPolarHBondContact OD1-CB 3.3Å; D189-S209 PolarHBondContact OD1-OG 3.45Å; S206-S209 VanDerWaalsContact O-CB 3.26Å; S206-S209 WeakPolarHBondContact O-CB 3.38Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.13Å; S209-I211 WeakPolarHBondContact OG-CG1 3.47Å
210E89.5Confident91.3Very high137 Ų13796 Ų9664%0.6448%0.477SS*.  trans-106.2-2.6-177.9-66.8-179.4-171.800112.4D189 R228D189-E210 PolarHBondContact OD2-N 3.27Å; E210-R228 IonicContact OE1-CZ 3.77Å; E210-R228 IonicContact OE1-NH1 3.82Å; E210-R228 PolarHBondContact OE1-NH1 3.48Å; E210-R228 IonicContact OE1-NH2 2.86Å; E210-R228 IonicContact OE2-NH1 2.82Å
211I89.8Confident91.3Very high32 Ų3297.8 Ų97.816%0.16448%0.484CS..SBendtrans-78.4152.1-178.562.3178.3000113.2D189 K205 S209 E215 A218D189-I211 HydrophobicContact CB-CD1 4.45Å; D189-I211 HydrophobicContact CB-CG2 3.92Å; K205-I211 HydrophobicContact CD-CG1 4.32Å; S209-I211 WeakPolarHBondContact OG-CG1 3.47Å; I211-E215 HydrophobicContact CB-CB 4.32Å; I211-E215 HydrophobicContact CD1-CB 4.33Å; I211-E215 WeakPolarHBondContact CD1-O 3.45Å; I211-A218 HydrophobicContact CG2-CB 4.35Å
212E86.7Confident91.4Very high142 Ų14293.7 Ų93.766%0.66447%0.473SS*.  trans-60.6152.8176.7-63.7-171.6173.600111.9K205 D214 E215K205-E212 PolarHBondContact NZ-O 2.81Å; E212-D214 PolarHBondContact O-N 3.06Å; E212-D214 VanDerWaalsContact O-N 3.15Å; E212-E215 PolarHBondContact O-N 2.99Å
213E80.6Confident91.4Very high184 Ų18494.6 Ų94.686%0.8648%0.482SS*.THydrogen-bonded Turntrans-55.1-36.4-175-74.1-173.3177.600113.5K205K205-E213 VanDerWaalsContact NZ-C 3.28Å; K205-E213 VanDerWaalsContact NZ-CA 3.3Å; K205-E213 PolarHBondContact NZ-O 2.86Å
214D84.7Confident91.3Very high152 Ų15289.1 Ų89.181%0.81347%0.469SS*.THydrogen-bonded Turntrans-75.4-21.8-178.7-65.7-29.8000113.7E212E212-D214 PolarHBondContact O-N 3.06Å; E212-D214 VanDerWaalsContact O-N 3.15Å
215E88.2Confident91.2Very high88 Ų8890.9 Ų90.941%0.41147%0.465SS..  trans-85.1136.7178.4-67-165.2164.600111.1K205 I211 E212K205-E215 WeakPolarHBondContact CE-O 3.28Å; K205-E215 PolarHBondContact NZ-O 3.26Å; I211-E215 HydrophobicContact CB-CB 4.32Å; I211-E215 HydrophobicContact CD1-CB 4.33Å; I211-E215 WeakPolarHBondContact CD1-O 3.45Å; E212-E215 PolarHBondContact O-N 2.99Å
216V89.7Confident91.3Very high69 Ų6988.4 Ų88.442%0.41846%0.457SS..SBendtrans-94.4-32.2-176.2-166.90000112.4P200P200-V216 HydrophobicContact CB-CB 4.17Å; P200-V216 HydrophobicContact CB-CG1 3.33Å; P200-V216 WeakPolarHBondContact O-CG1 3.48Å
217Q91.5Very high91.2Very high39 Ų3991.8 Ų91.818%0.18247%0.469CS..SBendtrans-148.8151.5178.5-69.7174.69.600109.7P200P200-Q217 HydrophobicContact CB-CG 4.3Å; P200-Q217 VanDerWaalsContact CG-NE2 3.25Å
218A92.1Very high91.2Very high13 Ų1389.9 Ų89.911%0.10746%0.456CS..PPolyproline II helixtrans-61.8151170.100000111.4D189 A191 R193 I211D189-A218 HydrophobicContact CB-CB 3.62Å; D189-A218 PolarHBondContact O-N 3.34Å; A191-A218 HydrophobicContact CB-CB 3.88Å; R193-A218 PolarHBondContact NH1-O 2.94Å; R193-A218 PolarHBondContact NH2-O 2.94Å; I211-A218 HydrophobicContact CG2-CB 4.35Å
219P92.8Very high91.4Very high102 Ų10288 Ų8866%0.66245%0.448SS*.PPolyproline II helixtrans-51.5142.1168.9-25.834.5000111.7D221P219-D221 PolarHBondContact O-N 3.18Å
220Y95.1Very high91.6Very high137 Ų13787.5 Ų87.554%0.53744%0.442SS..PPolyproline II helixtrans-69.1123.9-179.5176-128.4000111.1A191 R193 P222A191-Y220 WeakPolarHBondContact O-CD2 3.33Å; R193-Y220 HydrophobicContact CB-CD2 4.04Å; R193-Y220 HydrophobicContact CB-CE2 3.95Å; R193-Y220 HydrophobicContact CG-CD2 3.3Å; R193-Y220 HydrophobicContact CG-CE2 3.74Å; R193-Y220 HydrophobicContact CG-CG 4.09Å; Y220-P222 HydrophobicContact CE1-CB 3.79Å; Y220-P222 HydrophobicContact CE1-CG 4.38Å
221D93.9Very high92Very high74 Ų7481 Ų8140%0.39641%0.412SS..  trans-109.1103.3171.9-177.46.9000110.8A191 P219 N223 G224A191-D221 PolarHBondContact O-N 3.23Å; P219-D221 PolarHBondContact O-N 3.18Å; D221-N223 VanDerWaalsContact C-N 3.28Å; D221-N223 PolarHBondContact O-N 2.96Å; D221-N223 PolarHBondContact OD1-N 2.84Å; D221-G224 VanDerWaalsContact CG-N 3.27Å; D221-G224 PolarHBondContact OD1-N 3.24Å; D221-G224 VanDerWaalsContact OD1-N 3.17Å; D221-G224 VanDerWaalsContact OD2-CA 3.24Å; D221-G224 WeakPolarHBondContact OD2-CA 3.48Å; D221-G224 PolarHBondContact OD2-N 2.86Å
222P93.4Very high92.3Very high83 Ų8380.5 Ų80.554%0.53941%0.41SS..SBendtrans-73.3-17.5179.329.5-34.7000113.9Y220Y220-P222 HydrophobicContact CE1-CB 3.79Å; Y220-P222 HydrophobicContact CE1-CG 4.38Å
223N94.4Very high92.9Very high143 Ų14373.8 Ų73.877%0.76538%0.378SS*.SBendtrans-100.1-9.8-178.9-64.3-48.1000112.7D221D221-N223 VanDerWaalsContact C-N 3.28Å; D221-N223 PolarHBondContact O-N 2.96Å; D221-N223 PolarHBondContact OD1-N 2.84Å
224G91.7Very high93.6Very high27 Ų2768.6 Ų68.628%0.27835%0.354SS..  trans-63.3155.6179.400000112.7L192 D221L192-G224 VanDerWaalsContact CD2-C 3.46Å; D221-G224 VanDerWaalsContact CG-N 3.27Å; D221-G224 PolarHBondContact OD1-N 3.24Å; D221-G224 VanDerWaalsContact OD1-N 3.17Å; D221-G224 VanDerWaalsContact OD2-CA 3.24Å; D221-G224 WeakPolarHBondContact OD2-CA 3.48Å; D221-G224 PolarHBondContact OD2-N 2.86Å
225K93.2Very high94Very high156 Ų15661.8 Ų61.868%0.67832%0.318SS*.  trans-129.9155173.4-67.4-178.6-177.6176.80109.7E227K225-E227 PolarHBondContact O-N 2.74Å; K225-E227 VanDerWaalsContact O-N 3.12Å
226P94.1Very high94.2Very high33 Ų3359.7 Ų59.721%0.21431%0.313CS..  trans-63.1112.3170.2-23.936000110.5L28 Y186 L192 F229L28-P226 HydrophobicContact CB-CB 4.4Å; Y186-P226 HydrophobicContact CD2-CB 4.08Å; Y186-P226 HydrophobicContact CD2-CG 4.42Å; Y186-P226 HydrophobicContact CE2-CB 4.36Å; Y186-P226 HydrophobicContact CE2-CG 4.24Å; L192-P226 HydrophobicContact CD1-CB 4.38Å; L192-P226 HydrophobicContact CD1-CG 3.74Å; P226-F229 HydrophobicContact CB-CE1 4Å; P226-F229 HydrophobicContact CB-CZ 3.7Å
227E91.1Very high94.1Very high110 Ų11057.5 Ų57.551%0.51430%0.304SS..  trans-118.4-34-177.6-71.9-177175.900113.6E24 N25 K225E24-E227 CarbonylContact C-O 3.56Å; E24-E227 VanDerWaalsContact CA-O 3.24Å; E24-E227 WeakPolarHBondContact CA-O 3.3Å; N25-E227 PolarHBondContact N-O 2.71Å; K225-E227 PolarHBondContact O-N 2.74Å; K225-E227 VanDerWaalsContact O-N 3.12Å
228R94.9Very high94Very high99 Ų9956 Ų5637%0.37430%0.298SS..EExtended strand (participates in β ladder)trans-113124.3-175.3-55.8176.577.2-157.5-1.7110E24 E210E24-R228 HydrophobicContact CB-CG 4.42Å; E24-R228 HydrophobicContact CG-CB 4.41Å; E24-R228 HydrophobicContact CG-CG 4Å; E24-R228 IonicContact OE1-CZ 3.59Å; E24-R228 IonicContact OE1-NE 2.74Å; E24-R228 PolarHBondContact OE1-NE 3.13Å; E24-R228 IonicContact OE1-NH2 3.76Å; E24-R228 PolarHBondContact OE1-NH2 2.89Å; E210-R228 IonicContact OE1-CZ 3.77Å; E210-R228 IonicContact OE1-NH1 3.82Å; E210-R228 PolarHBondContact OE1-NH1 3.48Å; E210-R228 IonicContact OE1-NH2 2.86Å; E210-R228 IonicContact OE2-NH1 2.82Å
229F97.7Very high94Very high0 Ų055.4 Ų55.40%029%0.293CS..EExtended strand (participates in β ladder)trans-124.5124.3-178-55.3-87000110.3V22 I23 T26 L28 A31 F184 Y186 P226 F231V22-F229 CarbonylContact C-O 3.43Å; V22-F229 WeakPolarHBondContact CA-O 3.3Å; I23-F229 PolarHBondContact N-O 3.16Å; I23-F229 PolarHBondContact O-N 2.69Å; T26-F229 HydrophobicContact CG2-CD2 3.5Å; T26-F229 HydrophobicContact CG2-CE2 3.46Å; T26-F229 VanDerWaalsContact CG2-CE2 3.46Å; T26-F229 WeakPolarHBondContact O-CE2 3.45Å; L28-F229 HydrophobicContact CB-CE1 3.93Å; L28-F229 HydrophobicContact CB-CZ 3.99Å; L28-F229 HydrophobicContact CD1-CD1 4.36Å; L28-F229 HydrophobicContact CD1-CE1 3.68Å; L28-F229 HydrophobicContact CG-CE1 4.41Å; A31-F229 HydrophobicContact CB-CB 4.28Å; A31-F229 HydrophobicContact CB-CD1 3.8Å; A31-F229 HydrophobicContact CB-CD2 4Å; A31-F229 HydrophobicContact CB-CE1 4.15Å; A31-F229 HydrophobicContact CB-CE2 4.32Å; A31-F229 HydrophobicContact CB-CG 3.73Å; A31-F229 HydrophobicContact CB-CZ 4.39Å; F184-F229 HydrophobicContact CE2-CB 4.25Å; F184-F229 AromaticContact CE2-CD1 3.92Å; F184-F229 HydrophobicContact CE2-CD1 3.92Å; F184-F229 HydrophobicContact CE2-CG 4.44Å; F184-F229 AromaticContact CZ-CD1 3.75Å; F184-F229 HydrophobicContact CZ-CD1 3.75Å; F184-F229 HydrophobicContact CZ-CE1 4.37Å; Y186-F229 HydrophobicContact CD2-CE1 4.47Å; Y186-F229 HydrophobicContact CG-CD1 4.16Å; Y186-F229 HydrophobicContact CG-CE1 4.11Å; P226-F229 HydrophobicContact CB-CE1 4Å; P226-F229 HydrophobicContact CB-CZ 3.7Å; F229-F231 HydrophobicContact CB-CD2 4.3Å; F229-F231 HydrophobicContact CB-CE2 3.82Å
230Y97.8Very high94Very high18 Ų1856.3 Ų56.37%0.07128%0.283CS..EExtended strand (participates in β ladder)trans-96.5126.8179.7-55.2-93.5000109.3V22 F184 E185 P188 Y208V22-Y230 HydrophobicContact CG1-CD1 4.25Å; V22-Y230 HydrophobicContact CG1-CE1 4.26Å; V22-Y230 HydrophobicContact CG2-CD1 3.57Å; V22-Y230 HydrophobicContact CG2-CE1 3.9Å; V22-Y230 HydrophobicContact CG2-CG 4.5Å; F184-Y230 WeakPolarHBondContact CA-O 3.33Å; E185-Y230 PolarHBondContact N-O 3.43Å; E185-Y230 PolarHBondContact O-N 3.01Å; 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 3.57Å; Y208-Y230 HydrophobicContact CD1-CE1 3.57Å; Y208-Y230 AromaticContact CD1-CG 3.8Å; Y208-Y230 HydrophobicContact CD1-CG 3.8Å; Y208-Y230 HydrophobicContact CD2-CD1 4.17Å; Y208-Y230 HydrophobicContact CD2-CD2 4.36Å; Y208-Y230 AromaticContact CD2-CG 3.9Å; Y208-Y230 HydrophobicContact CD2-CG 3.9Å; Y208-Y230 AromaticContact CE1-CD1 3.58Å; Y208-Y230 HydrophobicContact CE1-CD1 3.58Å; Y208-Y230 HydrophobicContact CE1-CE1 4.34Å; Y208-Y230 HydrophobicContact CE1-CG 4.13Å; Y208-Y230 HydrophobicContact CE2-CG 4.25Å; Y208-Y230 AromaticContact CG-CD1 3.53Å; Y208-Y230 HydrophobicContact CG-CD1 3.53Å; Y208-Y230 HydrophobicContact CG-CD2 4.14Å; Y208-Y230 AromaticContact CG-CE1 3.88Å; Y208-Y230 HydrophobicContact CG-CE1 3.88Å; Y208-Y230 HydrophobicContact CG-CE2 4.46Å; Y208-Y230 AromaticContact CG-CG 3.67Å; Y208-Y230 HydrophobicContact CG-CG 3.67Å
231F98.1Very high94Very high1 Ų149.8 Ų49.80%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-121.2140.6178.4-77.8-96000110.6K20 F21 I23 A31 R35 F38 V182 S183 F184 F229K20-F231 VanDerWaalsContact CA-O 3.3Å; K20-F231 WeakPolarHBondContact CA-O 3.47Å; F21-F231 HydrophobicContact CD1-CB 4.13Å; F21-F231 HydrophobicContact CD2-CB 4.06Å; F21-F231 HydrophobicContact CD2-CD2 4.47Å; F21-F231 HydrophobicContact CE1-CB 3.74Å; F21-F231 HydrophobicContact CE1-CG 4.48Å; F21-F231 HydrophobicContact CE2-CB 3.62Å; F21-F231 AromaticContact CE2-CD2 3.81Å; F21-F231 HydrophobicContact CE2-CD2 3.81Å; F21-F231 AromaticContact CE2-CG 3.75Å; F21-F231 HydrophobicContact CE2-CG 3.75Å; F21-F231 HydrophobicContact CG-CB 4.3Å; F21-F231 HydrophobicContact CZ-CB 3.47Å; F21-F231 VanDerWaalsContact CZ-CB 3.47Å; F21-F231 HydrophobicContact CZ-CD1 4.19Å; F21-F231 HydrophobicContact CZ-CD2 4.27Å; F21-F231 AromaticContact CZ-CG 3.74Å; F21-F231 HydrophobicContact CZ-CG 3.74Å; F21-F231 PolarHBondContact N-O 2.93Å; F21-F231 PolarHBondContact O-N 3.45Å; I23-F231 HydrophobicContact CD1-CD2 4.26Å; I23-F231 HydrophobicContact CD1-CE2 3.94Å; I23-F231 HydrophobicContact CG1-CD2 4.37Å; I23-F231 HydrophobicContact CG1-CE2 4.38Å; A31-F231 HydrophobicContact CB-CE2 4.23Å; A31-F231 HydrophobicContact CB-CZ 4.11Å; A31-F231 WeakPolarHBondContact O-CZ 3.15Å; R35-F231 HydrophobicContact CB-CE1 4Å; F38-F231 HydrophobicContact CE2-CD1 4.03Å; F38-F231 AromaticContact CE2-CE1 3.96Å; F38-F231 HydrophobicContact CE2-CE1 3.96Å; V182-F231 HydrophobicContact CG1-CD1 4.37Å; S183-F231 WeakPolarHBondContact O-CA 3.44Å; F184-F231 HydrophobicContact CD2-CD1 4.16Å; F184-F231 HydrophobicContact CD2-CD2 4.42Å; F184-F231 AromaticContact CD2-CE1 3.57Å; F184-F231 HydrophobicContact CD2-CE1 3.57Å; F184-F231 AromaticContact CD2-CE2 3.85Å; F184-F231 HydrophobicContact CD2-CE2 3.85Å; F184-F231 AromaticContact CD2-CZ 3.38Å; F184-F231 HydrophobicContact CD2-CZ 3.38Å; F184-F231 HydrophobicContact CE2-CE1 4.16Å; F184-F231 AromaticContact CE2-CE2 3.83Å; F184-F231 HydrophobicContact CE2-CE2 3.83Å; F184-F231 AromaticContact CE2-CZ 3.5Å; F184-F231 HydrophobicContact CE2-CZ 3.5Å; F184-F231 VanDerWaalsContact CE2-CZ 3.5Å; F229-F231 HydrophobicContact CB-CD2 4.3Å; F229-F231 HydrophobicContact CB-CE2 3.82Å
232N97.7Very high94Very high21 Ų2149.3 Ų49.311%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-128.9110.4159.7-176.613.2000108.1K20 V182 S183K20-N232 HydrophobicContact CD-CB 4.49Å; K20-N232 WeakPolarHBondContact CE-ND2 3.43Å; K20-N232 HydrophobicContact CG-CB 3.84Å; K20-N232 VanDerWaalsContact CG-CG 3.48Å; K20-N232 WeakPolarHBondContact CG-OD1 2.97Å; V182-N232 CarbonylContact C-O 3.59Å; V182-N232 WeakPolarHBondContact CA-O 3.41Å; S183-N232 PolarHBondContact N-O 3.22Å; S183-N232 PolarHBondContact O-N 3.25Å; S183-N232 VanDerWaalsContact O-N 3.12Å
233V97.3Very high94.1Very high0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-100.5113.4176179.60000107.9V19 F21 F38 T179 V182 I244 V245V19-V233 HydrophobicContact CG1-CB 3.78Å; V19-V233 HydrophobicContact CG1-CG1 4.49Å; V19-V233 PolarHBondContact N-O 3.5Å; V19-V233 PolarHBondContact O-N 3.29Å; F21-V233 HydrophobicContact CE1-CG2 3.95Å; F21-V233 HydrophobicContact CZ-CG2 4.36Å; F38-V233 HydrophobicContact CD2-CG2 3.86Å; F38-V233 HydrophobicContact CE2-CG2 4Å; F38-V233 HydrophobicContact CG-CG2 4.45Å; T179-V233 HydrophobicContact CG2-CG1 3.95Å; V182-V233 HydrophobicContact CG1-CG2 4.16Å; V233-I244 HydrophobicContact CG1-CG2 4.24Å; V233-V245 HydrophobicContact CG2-CG2 4.37Å
234E96.1Very high94.1Very high75 Ų7539.9 Ų39.935%0.3520%0.199SC..EExtended strand (participates in β ladder)trans-101.6126.8177.8175.5178-152.900109.2E17 N18 T179 A180 G181E17-E234 CarbonylContact O-C 3.5Å; E17-E234 WeakPolarHBondContact O-CA 3.46Å; N18-E234 WeakPolarHBondContact OD1-CB 3.49Å; N18-E234 WeakPolarHBondContact OD1-CG 3.27Å; T179-E234 CarbonylContact C-O 3.59Å; T179-E234 VanDerWaalsContact CA-O 3.24Å; T179-E234 WeakPolarHBondContact CA-O 3.48Å; T179-E234 WeakPolarHBondContact CB-O 3.35Å; A180-E234 HydrophobicContact CB-CG 3.87Å; A180-E234 PolarHBondContact N-O 3.44Å; G181-E234 PolarHBondContact O-N 2.95Å
235S93.8Very high94.3Very high10 Ų1039.8 Ų39.87%0.0719%0.193CC..EExtended strand (participates in β ladder)trans-80146.7179.6179.10000111.7E17 G237 L239E17-S235 PolarHBondContact O-N 2.73Å; S235-G237 PolarHBondContact O-N 3.42Å; S235-G237 PolarHBondContact OG-N 3.14Å; S235-L239 WeakPolarHBondContact CB-O 3.28Å; S235-L239 PolarHBondContact OG-O 2.83Å
236C90.9Very high94.4Very high43 Ų4338.5 Ų38.529%0.29119%0.191SC..  trans-79.54.5165.568.70000113.3N177 P178 S238N177-C236 PolarHBondContact O-SG 3.34Å; N177-C236 VanDerWaalsContact O-SG 3.38Å; P178-C236 PolarHBondContact O-N 3.05Å; P178-C236 VanDerWaalsContact O-N 3.07Å; P178-C236 PolarHBondContact O-SG 3.34Å; C236-S238 VanDerWaalsContact C-N 3.33Å; C236-S238 PolarHBondContact O-N 3.38Å
237G88.6Confident94.4Very high24 Ų2437.8 Ų37.825%0.24719%0.187CC..SBendtrans87.3-12.9-179.600000115.1V130 R133 S235 L239V130-G237 VanDerWaalsContact CG2-C 3.45Å; V130-G237 WeakPolarHBondContact CG2-O 3.09Å; R133-G237 PolarHBondContact NH1-O 3.38Å; S235-G237 PolarHBondContact O-N 3.42Å; S235-G237 PolarHBondContact OG-N 3.14Å; G237-L239 VanDerWaalsContact C-N 3.32Å; G237-L239 PolarHBondContact O-N 2.89Å
238S90Very high94.7Very high7 Ų732.6 Ų32.65%0.04916%0.163CC..SBendtrans-66.6-30.8176.3-85.10000114.2P72 L73 S75 C236P72-S238 VanDerWaalsContact CB-OG 3.31Å; P72-S238 WeakPolarHBondContact CB-OG 3.42Å; L73-S238 PolarHBondContact N-OG 3.15Å; L73-S238 VanDerWaalsContact O-CA 3.29Å; L73-S238 WeakPolarHBondContact O-CA 3.23Å; L73-S238 WeakPolarHBondContact O-CB 2.97Å; L73-S238 PolarHBondContact O-OG 3.06Å; S75-S238 PolarHBondContact N-O 3.48Å; S75-S238 PolarHBondContact OG-O 3.43Å; C236-S238 VanDerWaalsContact C-N 3.33Å; C236-S238 PolarHBondContact O-N 3.38Å
239L92.3Very high94.7Very high1 Ų131.7 Ų31.71%0.00517%0.165CC..SBendtrans-135.3148.8176-74.1179.2000108.9V42 T44 S75 V79 P178 S235 G237 T243 I244V42-L239 HydrophobicContact CG1-CD1 3.83Å; T44-L239 HydrophobicContact CG2-CD1 3.79Å; T44-L239 HydrophobicContact CG2-CG 4.3Å; S75-L239 WeakPolarHBondContact OG-CD2 3.47Å; S75-L239 WeakPolarHBondContact OG-CG 3.3Å; V79-L239 HydrophobicContact CG1-CD2 4.36Å; P178-L239 HydrophobicContact CB-CD1 4.04Å; S235-L239 WeakPolarHBondContact CB-O 3.28Å; S235-L239 PolarHBondContact OG-O 2.83Å; G237-L239 VanDerWaalsContact C-N 3.32Å; G237-L239 PolarHBondContact O-N 2.89Å; L239-T243 HydrophobicContact CD2-CG2 4.31Å; L239-I244 HydrophobicContact CB-CD1 4.24Å; L239-I244 HydrophobicContact CB-CG1 3.74Å; L239-I244 HydrophobicContact CD1-CG1 4.24Å
240R92.5Very high94.6Very high121 Ų12134.5 Ų34.546%0.45719%0.188SC..  trans-68.2146.3172.2-67.7-175.6-68.3153.8-6.6111.8D76 E242 T243 I244D76-R240 PolarHBondContact OD1-N 3.02Å; D76-R240 IonicContact OD1-NE 3.67Å; R240-E242 VanDerWaalsContact C-N 3.3Å; R240-E242 WeakPolarHBondContact CD-OE1 3.12Å; R240-E242 IonicContact CZ-OE1 3.78Å; R240-E242 VanDerWaalsContact CZ-OE1 3.29Å; R240-E242 IonicContact NE-OE1 3.24Å; R240-E242 IonicContact NH1-OE1 3.46Å; R240-E242 PolarHBondContact NH1-OE1 2.82Å; R240-E242 PolarHBondContact O-N 3.44Å; R240-T243 WeakPolarHBondContact O-CA 3.33Å; R240-T243 WeakPolarHBondContact O-CB 3.46Å; R240-T243 PolarHBondContact O-N 2.84Å; R240-I244 WeakPolarHBondContact O-CG1 3.39Å; R240-I244 PolarHBondContact O-N 2.95Å
241P94.6Very high94.4Very high0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-55.2-42.2-175.9-24.533.5000113.5D16 E17 V19 T243 I244 V245D16-P241 VanDerWaalsContact O-CD 3.3Å; D16-P241 WeakPolarHBondContact O-CD 3.38Å; E17-P241 VanDerWaalsContact C-CG 3.4Å; E17-P241 VanDerWaalsContact O-CG 3.25Å; E17-P241 WeakPolarHBondContact O-CG 3.34Å; V19-P241 HydrophobicContact CB-CB 3.81Å; V19-P241 HydrophobicContact CG1-CB 3.62Å; P241-T243 VanDerWaalsContact C-N 3.33Å; P241-T243 PolarHBondContact O-N 3.24Å; P241-I244 WeakPolarHBondContact O-CB 3.3Å; P241-I244 PolarHBondContact O-N 2.88Å; P241-V245 PolarHBondContact O-N 3.41Å
242E94.5Very high94.3Very high63 Ų6336.9 Ų36.929%0.29420%0.203SC..Hα-helixtrans-65.6-35.8177.268.1-81.9-166.600112.6R240 I244 V245 M246R240-E242 VanDerWaalsContact C-N 3.3Å; R240-E242 WeakPolarHBondContact CD-OE1 3.12Å; R240-E242 IonicContact CZ-OE1 3.78Å; R240-E242 VanDerWaalsContact CZ-OE1 3.29Å; R240-E242 IonicContact NE-OE1 3.24Å; R240-E242 IonicContact NH1-OE1 3.46Å; R240-E242 PolarHBondContact NH1-OE1 2.82Å; R240-E242 PolarHBondContact O-N 3.44Å; E242-I244 VanDerWaalsContact C-N 3.35Å; E242-V245 PolarHBondContact O-N 3.02Å; E242-M246 WeakPolarHBondContact O-CB 3.5Å; E242-M246 VanDerWaalsContact O-CG 3.3Å; E242-M246 WeakPolarHBondContact O-CG 3.21Å; E242-M246 PolarHBondContact O-N 3.47Å
243T94.1Very high94.2Very high29 Ų2943.6 Ų43.618%0.17823%0.231CC..Hα-helixtrans-65.9-39.5175.9-56.80000110.7L239 R240 P241 V245 M246 S247L239-T243 HydrophobicContact CD2-CG2 4.31Å; R240-T243 WeakPolarHBondContact O-CA 3.33Å; R240-T243 WeakPolarHBondContact O-CB 3.46Å; R240-T243 PolarHBondContact O-N 2.84Å; P241-T243 VanDerWaalsContact C-N 3.33Å; P241-T243 PolarHBondContact O-N 3.24Å; T243-V245 VanDerWaalsContact C-N 3.35Å; T243-V245 PolarHBondContact O-N 3.37Å; T243-M246 PolarHBondContact O-N 2.94Å; T243-S247 WeakPolarHBondContact O-CB 3.36Å; T243-S247 PolarHBondContact O-N 2.82Å
244I95.8Very high94.2Very high0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-59-48.6176.7-63171.4000109.9V42 P178 T179 V233 L239 R240 P241 E242 A248V42-I244 HydrophobicContact CG2-CG2 4.24Å; P178-I244 HydrophobicContact CB-CD1 3.96Å; P178-I244 HydrophobicContact CB-CG1 4.05Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 VanDerWaalsContact O-CD1 3.28Å; P178-I244 WeakPolarHBondContact O-CD1 3.4Å; T179-I244 HydrophobicContact CG2-CD1 4.28Å; T179-I244 HydrophobicContact CG2-CG2 4.02Å; V233-I244 HydrophobicContact CG1-CG2 4.24Å; L239-I244 HydrophobicContact CB-CD1 4.24Å; L239-I244 HydrophobicContact CB-CG1 3.74Å; L239-I244 HydrophobicContact CD1-CG1 4.24Å; R240-I244 WeakPolarHBondContact O-CG1 3.39Å; R240-I244 PolarHBondContact O-N 2.95Å; P241-I244 WeakPolarHBondContact O-CB 3.3Å; P241-I244 PolarHBondContact O-N 2.88Å; E242-I244 VanDerWaalsContact C-N 3.35Å; I244-A248 VanDerWaalsContact O-CB 3.27Å; I244-A248 WeakPolarHBondContact O-CB 3.49Å; I244-A248 PolarHBondContact O-N 2.8Å
245V95.8Very high94.1Very high24 Ų2451.2 Ų51.215%0.14526%0.263CS..Hα-helixtrans-64.5-46.4-178.8177.60000111.3V19 F21 F38 V233 P241 E242 T243 A248 L249V19-V245 HydrophobicContact CG1-CG2 3.96Å; F21-V245 HydrophobicContact CE1-CG2 4.04Å; F21-V245 HydrophobicContact CZ-CG2 4.44Å; F38-V245 HydrophobicContact CE1-CB 4.23Å; F38-V245 HydrophobicContact CE1-CG1 4.12Å; F38-V245 HydrophobicContact CE1-CG2 4.15Å; F38-V245 HydrophobicContact CZ-CG1 4.24Å; F38-V245 HydrophobicContact CZ-CG2 4.31Å; V233-V245 HydrophobicContact CG2-CG2 4.37Å; P241-V245 PolarHBondContact O-N 3.41Å; E242-V245 PolarHBondContact O-N 3.02Å; T243-V245 VanDerWaalsContact C-N 3.35Å; T243-V245 PolarHBondContact O-N 3.37Å; V245-A248 PolarHBondContact O-N 3.05Å; V245-L249 HydrophobicContact CG1-CD1 4.48Å; V245-L249 WeakPolarHBondContact O-CG 3.3Å; V245-L249 PolarHBondContact O-N 2.92Å; V245-L249 VanDerWaalsContact O-N 3.14Å
246M94.9Very high94.2Very high130 Ų13055.7 Ų55.764%0.6429%0.286SS*.Hα-helixtrans-66.4-41.7-179.9-69-60.7-69.100112.5E242 T243 L249 A250E242-M246 WeakPolarHBondContact O-CB 3.5Å; E242-M246 VanDerWaalsContact O-CG 3.3Å; E242-M246 WeakPolarHBondContact O-CG 3.21Å; E242-M246 PolarHBondContact O-N 3.47Å; T243-M246 PolarHBondContact O-N 2.94Å; M246-L249 PolarHBondContact O-N 3.48Å; M246-A250 PolarHBondContact O-N 3.34Å
247S94.8Very high94.5Very high18 Ų1856.4 Ų56.413%0.12629%0.291CS..Hα-helixtrans-64.9-42.4176.9-173.50000111.2T243 L249 A250 V251T243-S247 WeakPolarHBondContact O-CB 3.36Å; T243-S247 PolarHBondContact O-N 2.82Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.44Å; S247-A250 WeakPolarHBondContact O-CB 3.42Å; S247-A250 PolarHBondContact O-N 3.15Å; S247-A250 VanDerWaalsContact O-N 3.15Å; S247-V251 VanDerWaalsContact O-CG2 3.3Å; S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.47Å
248A95.9Very high94.9Very high0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-57.9-44.8175.200000112.6V37 F38 V42 I244 V245 A250 V251 L252V37-A248 HydrophobicContact CB-CB 4.4Å; V37-A248 HydrophobicContact CG1-CB 3.58Å; V37-A248 WeakPolarHBondContact CG1-O 3.49Å; F38-A248 HydrophobicContact CD1-CB 3.32Å; F38-A248 HydrophobicContact CE1-CB 3.54Å; V42-A248 HydrophobicContact CG2-CB 3.57Å; I244-A248 VanDerWaalsContact O-CB 3.27Å; I244-A248 WeakPolarHBondContact O-CB 3.49Å; I244-A248 PolarHBondContact O-N 2.8Å; V245-A248 PolarHBondContact O-N 3.05Å; A248-A250 VanDerWaalsContact C-N 3.34Å; A248-A250 PolarHBondContact O-N 2.96Å; A248-V251 PolarHBondContact O-N 3.45Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 2.9Å
249L95.4Very high95.2Very high80 Ų8064.4 Ų64.442%0.41933%0.327SS..Hα-helixtrans-62.4-42.6176.2-70.5171.1000111.7L34 V245 M246 S247 L252 K253L34-L249 HydrophobicContact CD2-CD2 3.49Å; L34-L249 VanDerWaalsContact CD2-CD2 3.49Å; L34-L249 HydrophobicContact CD2-CG 4.49Å; V245-L249 HydrophobicContact CG1-CD1 4.48Å; V245-L249 WeakPolarHBondContact O-CG 3.3Å; V245-L249 PolarHBondContact O-N 2.92Å; V245-L249 VanDerWaalsContact O-N 3.14Å; M246-L249 PolarHBondContact O-N 3.48Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.44Å; L249-L252 PolarHBondContact O-N 3.27Å; L249-K253 VanDerWaalsContact O-CB 3.3Å; L249-K253 WeakPolarHBondContact O-CB 3.24Å; L249-K253 PolarHBondContact O-N 2.84Å
250A95.6Very high95.3Very high59 Ų5970.7 Ų70.749%0.48836%0.357SS..Hα-helixtrans-63.4-43.2176.800000112M246 S247 A248 K253 K254M246-A250 PolarHBondContact O-N 3.34Å; S247-A250 WeakPolarHBondContact O-CB 3.42Å; S247-A250 PolarHBondContact O-N 3.15Å; S247-A250 VanDerWaalsContact O-N 3.15Å; A248-A250 VanDerWaalsContact C-N 3.34Å; A248-A250 PolarHBondContact O-N 2.96Å; A250-K253 PolarHBondContact O-N 3.35Å; A250-K254 WeakPolarHBondContact O-CB 3.43Å; A250-K254 PolarHBondContact O-N 3.17Å
251V94.9Very high95.5Very high32 Ų3267.7 Ų67.719%0.19435%0.352CS..Hα-helixtrans-62.2-47.6176.4169.90000110.9E41 S247 A248 K253 K254 K255E41-V251 HydrophobicContact CB-CG1 3.95Å; S247-V251 VanDerWaalsContact O-CG2 3.3Å; S247-V251 WeakPolarHBondContact O-CG2 3.42Å; S247-V251 PolarHBondContact O-N 3.47Å; A248-V251 PolarHBondContact O-N 3.45Å; V251-K253 PolarHBondContact O-N 3.23Å; V251-K254 PolarHBondContact O-N 2.95Å; V251-K255 HydrophobicContact CG1-CD 4.25Å; V251-K255 WeakPolarHBondContact O-CG 3.29Å; V251-K255 PolarHBondContact O-N 3.02Å
252L95.2Very high95.5Very high38 Ų3873.5 Ų73.520%0.19938%0.379CS..Hα-helixtrans-63.2-43.7179.1-176.158.7000111.4L34 V37 A248 L249 K254 K255 L256L34-L252 HydrophobicContact CD2-CD2 3.83Å; V37-L252 HydrophobicContact CG2-CB 4.5Å; V37-L252 HydrophobicContact CG2-CD1 4.3Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 2.9Å; L249-L252 PolarHBondContact O-N 3.27Å; L252-K254 PolarHBondContact O-N 2.88Å; L252-K255 PolarHBondContact O-N 3Å; L252-L256 HydrophobicContact CG-CD1 4.33Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 2.96Å
253K96.2Very high95.4Very high162 Ų16275.6 Ų75.670%0.70439%0.392SS*.Hα-helixtrans-59.8-44.8175-177.4-178.9176.7-176.80111.7L249 A250 V251 L256 S257L249-K253 VanDerWaalsContact O-CB 3.3Å; L249-K253 WeakPolarHBondContact O-CB 3.24Å; L249-K253 PolarHBondContact O-N 2.84Å; A250-K253 PolarHBondContact O-N 3.35Å; V251-K253 PolarHBondContact O-N 3.23Å; K253-L256 PolarHBondContact O-N 3.45Å; K253-S257 WeakPolarHBondContact O-CB 3.47Å; K253-S257 PolarHBondContact O-N 3.18Å
254K95.5Very high95.3Very high140 Ų14076.5 Ų76.561%0.60940%0.399SS*.Hα-helixtrans-59.8-49.1177.2-178.4178.2177-179.50110.9A250 V251 L252 L256 S257 D258A250-K254 WeakPolarHBondContact O-CB 3.43Å; A250-K254 PolarHBondContact O-N 3.17Å; V251-K254 PolarHBondContact O-N 2.95Å; L252-K254 PolarHBondContact O-N 2.88Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 3Å; K254-S257 WeakPolarHBondContact O-CB 3.24Å; K254-S257 PolarHBondContact O-N 3.12Å; K254-S257 VanDerWaalsContact O-N 3.15Å; K254-D258 PolarHBondContact O-N 3.42Å
255K95.4Very high95.2Very high94 Ų9481 Ų8141%0.40942%0.42SS..Hα-helixtrans-59.5-42.3178.8-74.2177.967.9-161.90113.2E41 V251 L252 D258 L259E41-K255 IonicContact OE1-NZ 3.78Å; E41-K255 PolarHBondContact OE1-NZ 2.8Å; E41-K255 WeakPolarHBondContact OE2-CD 3.48Å; E41-K255 WeakPolarHBondContact OE2-CE 3.44Å; E41-K255 IonicContact OE2-NZ 2.83Å; E41-K255 PolarHBondContact OE2-NZ 3.48Å; V251-K255 HydrophobicContact CG1-CD 4.25Å; V251-K255 WeakPolarHBondContact O-CG 3.29Å; V251-K255 PolarHBondContact O-N 3.02Å; L252-K255 PolarHBondContact O-N 3Å; K255-D258 PolarHBondContact O-N 2.88Å; K255-L259 WeakPolarHBondContact O-CB 3.43Å; K255-L259 PolarHBondContact O-N 3.36Å
256L95.6Very high94.9Very high104 Ų10485.1 Ų85.155%0.54544%0.437SS..Hα-helixtrans-66-40.6176.8-69.1173.8000111.5L252 K253 K254 L259 Q260L252-L256 HydrophobicContact CG-CD1 4.33Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 2.96Å; K253-L256 PolarHBondContact O-N 3.45Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-L256 PolarHBondContact O-N 3Å; L256-L259 PolarHBondContact O-N 2.97Å; L256-Q260 WeakPolarHBondContact O-CB 3.43Å; L256-Q260 PolarHBondContact O-N 3.25Å
257S97.2Very high94.5Very high59 Ų5983.3 Ų83.341%0.41343%0.429SS..Hα-helixtrans-62.7-46.1174.5-171.20000111.6K253 K254 L259 Q260 T261K253-S257 WeakPolarHBondContact O-CB 3.47Å; K253-S257 PolarHBondContact O-N 3.18Å; K254-S257 WeakPolarHBondContact O-CB 3.24Å; K254-S257 PolarHBondContact O-N 3.12Å; K254-S257 VanDerWaalsContact O-N 3.15Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-L259 PolarHBondContact O-N 3.44Å; S257-Q260 WeakPolarHBondContact O-CB 3.48Å; S257-Q260 PolarHBondContact O-N 2.95Å; S257-T261 PolarHBondContact O-N 2.89Å; S257-T261 PolarHBondContact O-OG1 3.47Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å
258D95.9Very high94.1Very high78 Ų7889.7 Ų89.742%0.41746%0.457SS..Hα-helixtrans-61.6-43.4179.9-67.2-18.7000110.4K254 K255 Q260 T261 Q262K254-D258 PolarHBondContact O-N 3.42Å; K255-D258 PolarHBondContact O-N 2.88Å; D258-Q260 PolarHBondContact O-N 3.13Å; D258-T261 PolarHBondContact O-N 3.49Å; D258-Q262 WeakPolarHBondContact O-CG 3.45Å; D258-Q262 PolarHBondContact O-N 3.32Å
259L96.6Very high93.2Very high121 Ų12193.6 Ų93.663%0.63449%0.485SS*.Hα-helixtrans-60.7-43.5174.8-177.265.2000111.9K255 L256 S257 T261 Q262 L263K255-L259 WeakPolarHBondContact O-CB 3.43Å; K255-L259 PolarHBondContact O-N 3.36Å; L256-L259 PolarHBondContact O-N 2.97Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-L259 PolarHBondContact O-N 3.44Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.48Å; L259-Q262 PolarHBondContact O-N 3.01Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 PolarHBondContact O-N 3.34Å
260Q95.4Very high91.8Very high133 Ų13393.4 Ų93.462%0.62148%0.484SS*.Hα-helixtrans-63.7-38.9176.8-175.5178.98.100111.9L256 S257 D258 L263 S264L256-Q260 WeakPolarHBondContact O-CB 3.43Å; L256-Q260 PolarHBondContact O-N 3.25Å; S257-Q260 WeakPolarHBondContact O-CB 3.48Å; S257-Q260 PolarHBondContact O-N 2.95Å; D258-Q260 PolarHBondContact O-N 3.13Å; Q260-L263 PolarHBondContact O-N 3.26Å; Q260-S264 WeakPolarHBondContact O-CB 3.36Å; Q260-S264 PolarHBondContact O-N 3.35Å; Q260-S264 PolarHBondContact O-OG 3.27Å
261T95.9Very high90.1Very high58 Ų5896.7 Ų96.736%0.35650%0.498SS..Hα-helixtrans-63.3-47.1175.1-62.50000111.1S257 D258 L259 L263 S264 H265S257-T261 PolarHBondContact O-N 2.89Å; S257-T261 PolarHBondContact O-OG1 3.47Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å; D258-T261 PolarHBondContact O-N 3.49Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.48Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.13Å; T261-S264 WeakPolarHBondContact O-CB 3.48Å; T261-S264 PolarHBondContact O-N 3Å; T261-S264 VanDerWaalsContact O-N 3.14Å; T261-H265 PolarHBondContact O-N 3.25Å
262Q94.5Very high88.4Confident121 Ų121100.4 Ų100.457%0.56552%0.516SS*.Hα-helixtrans-63-40.9177.8-64-52.1-35.300112.2D258 L259 S264 H265 E266D258-Q262 WeakPolarHBondContact O-CG 3.45Å; D258-Q262 PolarHBondContact O-N 3.32Å; L259-Q262 PolarHBondContact O-N 3.01Å; Q262-S264 VanDerWaalsContact C-N 3.29Å; Q262-S264 PolarHBondContact O-N 3Å; Q262-H265 PolarHBondContact O-N 2.92Å; Q262-E266 PolarHBondContact O-N 3.4Å
263L93.4Very high86.6Confident108 Ų108104.5 Ų104.557%0.56554%0.543SS*.Hα-helixtrans-60.6-40.8173.9179.664.2000111.7L259 Q260 T261 E266 I267L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 PolarHBondContact O-N 3.34Å; Q260-L263 PolarHBondContact O-N 3.26Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.13Å; L263-E266 PolarHBondContact O-N 3.39Å; L263-I267 HydrophobicContact CD1-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.17Å; L263-I267 WeakPolarHBondContact O-CD1 3.3Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 2.76Å; L263-I267 VanDerWaalsContact O-N 3.13Å
264S92.4Very high85.1Confident47 Ų47103.1 Ų103.133%0.32954%0.542SS..Hα-helixtrans-67.4-36.5178.2-56.50000112.2Q260 T261 Q262 Q268Q260-S264 WeakPolarHBondContact O-CB 3.36Å; Q260-S264 PolarHBondContact O-N 3.35Å; Q260-S264 PolarHBondContact O-OG 3.27Å; T261-S264 WeakPolarHBondContact O-CB 3.48Å; T261-S264 PolarHBondContact O-N 3Å; T261-S264 VanDerWaalsContact O-N 3.14Å; Q262-S264 VanDerWaalsContact C-N 3.29Å; Q262-S264 PolarHBondContact O-N 3Å; S264-Q268 VanDerWaalsContact O-CG 3.3Å; S264-Q268 WeakPolarHBondContact O-CG 3.48Å; S264-Q268 PolarHBondContact O-N 2.99Å
265H92.1Very high82.9Confident94 Ų94106.6 Ų106.644%0.43557%0.567SS.*Hα-helixtrans-63.5-45.1173.2-68.7172.6000111.1T261 Q262 I267 Q268 S269T261-H265 PolarHBondContact O-N 3.25Å; Q262-H265 PolarHBondContact O-N 2.92Å; H265-I267 VanDerWaalsContact C-N 3.32Å; H265-I267 PolarHBondContact O-N 2.89Å; H265-Q268 CarbonylContact O-C 3.59Å; H265-Q268 WeakPolarHBondContact O-CA 3.3Å; H265-Q268 WeakPolarHBondContact O-CB 3.44Å; H265-Q268 PolarHBondContact O-N 3.26Å; H265-S269 PolarHBondContact O-N 3.41Å; H265-S269 PolarHBondContact O-OG 3.35Å
266E89.9Confident82.3Confident111 Ų111107.2 Ų107.252%0.51958%0.575SS.*Hα-helixtrans-59.5-43.7179.4-166.870.9171.300111.8Q262 L263 Q268 S269 D270Q262-E266 PolarHBondContact O-N 3.4Å; L263-E266 PolarHBondContact O-N 3.39Å; E266-Q268 PolarHBondContact O-N 2.95Å; E266-S269 WeakPolarHBondContact CA-OG 3.45Å; E266-S269 PolarHBondContact O-N 3.14Å; E266-S269 PolarHBondContact O-OG 2.85Å; E266-D270 PolarHBondContact O-N 2.69Å
267I87.7Confident81.6Confident92 Ų92107.4 Ų107.447%0.47258%0.576SS.*Hα-helixtrans-61.4-30.5176-66.9165000112L263 H265L263-I267 HydrophobicContact CD1-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 4.17Å; L263-I267 WeakPolarHBondContact O-CD1 3.3Å; L263-I267 VanDerWaalsContact O-CG1 3.3Å; L263-I267 WeakPolarHBondContact O-CG1 3.5Å; L263-I267 PolarHBondContact O-N 2.76Å; L263-I267 VanDerWaalsContact O-N 3.13Å; H265-I267 VanDerWaalsContact C-N 3.32Å; H265-I267 PolarHBondContact O-N 2.89Å
268Q84.4Confident80.8Confident152 Ų152110.1 Ų110.171%0.7159%0.585SS**Hα-helixtrans-85.1-35.5179.7-70.6174.110.900112.7S264 H265 E266S264-Q268 VanDerWaalsContact O-CG 3.3Å; S264-Q268 WeakPolarHBondContact O-CG 3.48Å; S264-Q268 PolarHBondContact O-N 2.99Å; H265-Q268 CarbonylContact O-C 3.59Å; H265-Q268 WeakPolarHBondContact O-CA 3.3Å; H265-Q268 WeakPolarHBondContact O-CB 3.44Å; H265-Q268 PolarHBondContact O-N 3.26Å; E266-Q268 PolarHBondContact O-N 2.95Å
269S78.9Confident79.9Confident83 Ų83111.9 Ų111.958%0.5860%0.595SS**Hα-helixtrans-82.5-40.8-177.852.10000112.9H265 E266H265-S269 PolarHBondContact O-N 3.41Å; H265-S269 PolarHBondContact O-OG 3.35Å; E266-S269 WeakPolarHBondContact CA-OG 3.45Å; E266-S269 PolarHBondContact O-N 3.14Å; E266-S269 PolarHBondContact O-OG 2.85Å
270D65.3Low78.8Confident76 Ų76111.4 Ų111.441%0.40659%0.593SS.*SBendtrans-108.4105172.4-101.2-22.5000107.5E266 L272E266-D270 PolarHBondContact O-N 2.69Å; D270-L272 PolarHBondContact O-N 2.85Å
271V60.7Low77.7Confident127 Ų127109.9 Ų109.977%0.7759%0.591SS**  trans-6581.9165.6179.90000106.6T273V271-T273 PolarHBondContact O-N 3.15Å
272L57.4Low76.4Confident111 Ų111113.6 Ų113.658%0.58161%0.608SS**SBendtrans-3.879.6-179.9-82.8149.9000113.8D270D270-L272 PolarHBondContact O-N 2.85Å
273T57.3Low75Confident124 Ų124113.1 Ų113.176%0.76161%0.611SS**  trans-96.6-0.3164.344.50000111.6V271V271-T273 PolarHBondContact O-N 3.15Å
274I64.8Low73.5Confident132 Ų132113.5 Ų113.568%0.67762%0.615SS**  trans-120.589.6174.5-57.8177.3000107.3
275N51.1Low71.8Confident213 Ų213119.5 Ų119.5100%1.13964%0.641SS**  trans48.10169.9-65.9-26000118.9

Retrieved 275 of 275 residues in 291 ms (Link to these results)

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