A0A096M784_POEFO Loading...

Spermatogenesis associated 6

AlphaFold DB , UniProt , Accession A0A096M784, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1K40.3Very low70.8Confident249 Ų24973.2 Ų73.2100%1.08339%0.385SS*.  0130.20-69.2-174175.3-171.90106.7
2P45.6Very low72.9Confident123 Ų12376.1 Ų76.180%0.79939%0.392SS*.  trans-60145.4167.228.9-33.4000108.6
3I56.2Low74.7Confident134 Ų13470.2 Ų70.269%0.68736%0.362SS*.  trans-83.8113.3167.9-59.1172.1000104.4E5I3-E5 HydrophobicContact CB-CG 4.43Å; I3-E5 HydrophobicContact CG2-CG 4.08Å; I3-E5 WeakPolarHBondContact O-CG 3.42Å; I3-E5 PolarHBondContact O-N 2.78Å; I3-E5 VanDerWaalsContact O-N 3.08Å
4T60Low76.3Confident97 Ų9768.8 Ų68.860%0.59535%0.353SS*.  trans-70.6103.9168.2-330000106.4F71T4-F71 HydrophobicContact CG2-CB 4.38Å; T4-F71 HydrophobicContact CG2-CD1 3.69Å; T4-F71 HydrophobicContact CG2-CE1 4.5Å; T4-F71 HydrophobicContact CG2-CG 4.49Å
5E68Low77.6Confident59 Ų5964.3 Ų64.328%0.27633%0.33SS..PPolyproline II helixtrans-79.9131.7-177.8-49-146.4124.300108.4I3 F7 R157I3-E5 HydrophobicContact CB-CG 4.43Å; I3-E5 HydrophobicContact CG2-CG 4.08Å; I3-E5 WeakPolarHBondContact O-CG 3.42Å; I3-E5 PolarHBondContact O-N 2.78Å; I3-E5 VanDerWaalsContact O-N 3.08Å; E5-F7 HydrophobicContact CB-CZ 4.32Å; E5-F7 WeakPolarHBondContact O-CD2 3.34Å; E5-F7 VanDerWaalsContact O-CE2 3.23Å; E5-F7 WeakPolarHBondContact O-CE2 3.21Å; E5-R157 VanDerWaalsContact CD-NH2 3.25Å; E5-R157 IonicContact OE1-CZ 2.65Å; E5-R157 VanDerWaalsContact OE1-CZ 3.24Å; E5-R157 IonicContact OE1-NH1 3.26Å; E5-R157 PolarHBondContact OE1-NH1 3.23Å; E5-R157 IonicContact OE1-NH2 3.57Å; E5-R157 PolarHBondContact OE1-NH2 3.42Å; E5-R157 IonicContact OE2-CZ 3.4Å; E5-R157 IonicContact OE2-NH1 2.97Å; E5-R157 IonicContact OE2-NH2 3.61Å; E5-R157 PolarHBondContact OE2-NH2 3.47Å
6C68.9Low78.8Confident43 Ų4361.9 Ų61.929%0.29132%0.319SS..PPolyproline II helixtrans-79.2132.1175.2-51.40000109.5I70 F71 W156C6-I70 WeakPolarHBondContact CA-O 3.12Å; C6-F71 WeakPolarHBondContact SG-CE1 3.32Å; C6-F71 WeakPolarHBondContact SG-CZ 3.4Å; C6-W156 WeakPolarHBondContact O-CB 3.3Å
7F77.3Confident79.8Confident71 Ų7158.2 Ų58.231%0.31130%0.3SS..EExtended strand (participates in β ladder)trans-99.7160.6173.4-55.5-80000110.9E5 I70 D155E5-F7 HydrophobicContact CB-CZ 4.32Å; E5-F7 WeakPolarHBondContact O-CD2 3.34Å; E5-F7 VanDerWaalsContact O-CE2 3.23Å; E5-F7 WeakPolarHBondContact O-CE2 3.21Å; F7-I70 PolarHBondContact N-O 3.19Å; F7-D155 WeakPolarHBondContact CD1-OD1 3.22Å; F7-D155 VanDerWaalsContact CE1-OD1 3.31Å; F7-D155 WeakPolarHBondContact CE1-OD1 3.4Å
8V84.5Confident80.7Confident4 Ų461.1 Ų61.12%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-112.4114.5168179.60000107.7F67 S154 W156V8-F67 WeakPolarHBondContact CA-O 3.39Å; V8-S154 PolarHBondContact N-O 2.97Å; V8-S154 PolarHBondContact O-N 2.75Å; V8-S154 PolarHBondContact O-OG 3.05Å; V8-W156 HydrophobicContact CG2-CE3 3.5Å; V8-W156 HydrophobicContact CG2-CZ3 4.02Å
9C90.5Very high81.6Confident3 Ų361.2 Ų61.22%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-97.6125.7175.4-50.10000108.7F67 V76 I151 E152C9-F67 HydrophobicContact CB-CB 4.33Å; C9-F67 HydrophobicContact CB-CD2 4.37Å; C9-F67 PolarHBondContact N-O 2.82Å; C9-F67 VanDerWaalsContact N-O 3.1Å; C9-F67 PolarHBondContact O-N 2.79Å; C9-V76 HydrophobicContact CB-CG2 4.05Å; C9-I151 HydrophobicContact CB-CG2 4.35Å; C9-E152 CarbonylContact C-O 3.5Å; C9-E152 WeakPolarHBondContact CA-O 3.3Å
10S92.6Very high82.4Confident22 Ų2258.1 Ų58.115%0.15429%0.29CS..EExtended strand (participates in β ladder)trans-107.7111.7171.7-156.80000109.3N66 I151 E152S10-N66 WeakPolarHBondContact CB-OD1 3.39Å; S10-N66 PolarHBondContact OG-OD1 2.88Å; S10-I151 WeakPolarHBondContact O-CA 3.36Å; S10-E152 PolarHBondContact N-O 3.22Å; S10-E152 PolarHBondContact O-N 2.67Å
11L94.8Very high83.1Confident0 Ų057.1 Ų57.10%029%0.287CS..EExtended strand (participates in β ladder)trans-93116.5172.716957000109.2M40 V64 K65 F67 L80 L111 V150 I151L11-M40 HydrophobicContact CB-SD 4.48Å; L11-M40 HydrophobicContact CD2-SD 3.38Å; L11-M40 WeakPolarHBondContact CD2-SD 3.44Å; L11-M40 HydrophobicContact CG-CE 4.42Å; L11-M40 HydrophobicContact CG-SD 3.81Å; L11-V64 CarbonylContact O-C 3.58Å; L11-V64 WeakPolarHBondContact O-CA 3.3Å; L11-K65 PolarHBondContact N-O 3.18Å; L11-K65 PolarHBondContact O-N 2.74Å; L11-F67 HydrophobicContact CB-CE2 3.88Å; L11-F67 HydrophobicContact CD2-CE2 4.31Å; L11-L80 HydrophobicContact CD2-CD1 3.97Å; L11-L80 HydrophobicContact CD2-CD2 3.84Å; L11-L80 HydrophobicContact CD2-CG 4.49Å; L11-L111 HydrophobicContact CD2-CD1 3.63Å; L11-V150 WeakPolarHBondContact CA-O 3.46Å; L11-I151 HydrophobicContact CB-CG1 4.25Å; L11-I151 HydrophobicContact CD1-CG1 3.75Å; L11-I151 HydrophobicContact CG-CG1 4.48Å
12K96.3Very high85.8Confident108 Ų10845.5 Ų45.547%0.4724%0.237SC..EExtended strand (participates in β ladder)trans-107.9109.3175.2-177.1176.6-177.8-179.90109.4V62 V64 S149 V150K12-V62 HydrophobicContact CG-CG1 4.23Å; K12-V64 HydrophobicContact CG-CG2 4.25Å; K12-S149 WeakPolarHBondContact O-CA 3.36Å; K12-V150 PolarHBondContact N-O 3.09Å; K12-V150 PolarHBondContact O-N 3.13Å
13L96.2Very high88.2Confident0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-102.4131173.8169.866.7000110.1V15 I39 M40 V62 F63 F110 L111 T147L13-V15 HydrophobicContact CD1-CG2 4.26Å; L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 3.93Å; L13-I39 HydrophobicContact CD2-CD1 3.65Å; L13-I39 HydrophobicContact CD2-CG2 3.73Å; L13-M40 HydrophobicContact CB-CE 4.06Å; L13-V62 CarbonylContact O-C 3.51Å; L13-V62 VanDerWaalsContact O-CA 3.28Å; L13-V62 WeakPolarHBondContact O-CA 3.46Å; L13-F63 HydrophobicContact CB-CB 4.44Å; L13-F63 HydrophobicContact CD2-CD2 4.25Å; L13-F63 PolarHBondContact N-O 3.46Å; L13-F63 PolarHBondContact O-N 3.21Å; L13-F110 HydrophobicContact CD2-CE1 3.91Å; L13-L111 HydrophobicContact CB-CD2 4.09Å; L13-L111 HydrophobicContact CD1-CD2 3.76Å; L13-L111 HydrophobicContact CD2-CD2 3.83Å; L13-L111 HydrophobicContact CG-CD2 4.08Å; L13-T147 HydrophobicContact CD1-CG2 4.37Å
14Q96.5Very high89.9Confident50 Ų5042.4 Ų42.423%0.23424%0.242CC..EExtended strand (participates in β ladder)trans-104.6132.8162173.7171.8-50.200110.3V16 R60 M61 V62 T147 T148Q14-V16 HydrophobicContact CG-CG2 4.14Å; Q14-R60 VanDerWaalsContact CD-NE 3.28Å; Q14-R60 HydrophobicContact CG-CG 4.21Å; Q14-M61 WeakPolarHBondContact CA-O 3.45Å; Q14-V62 HydrophobicContact CB-CG2 4.44Å; Q14-V62 HydrophobicContact CG-CG2 4.48Å; Q14-T147 CarbonylContact O-C 3.58Å; Q14-T147 WeakPolarHBondContact O-CA 3.39Å; Q14-T148 PolarHBondContact N-O 2.87Å; Q14-T148 PolarHBondContact O-N 2.82Å
15V96.2Very high91.5Very high1 Ų138.8 Ų38.81%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-117.4124.1169-1730000108.4L13 I39 M61 F63 F110 F145 A146 T147L13-V15 HydrophobicContact CD1-CG2 4.26Å; L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 3.93Å; V15-I39 HydrophobicContact CG2-CD1 3.84Å; V15-M61 PolarHBondContact N-O 2.83Å; V15-M61 PolarHBondContact O-N 2.83Å; V15-F63 HydrophobicContact CB-CE2 4.45Å; V15-F63 HydrophobicContact CG2-CD2 4.24Å; V15-F63 HydrophobicContact CG2-CE2 3.97Å; V15-F110 HydrophobicContact CG2-CE1 4.47Å; V15-F110 HydrophobicContact CG2-CZ 4.37Å; V15-F145 HydrophobicContact CG1-CB 4.4Å; V15-F145 HydrophobicContact CG1-CD2 4.17Å; V15-A146 CarbonylContact C-O 3.57Å; V15-A146 WeakPolarHBondContact CA-O 3.19Å; V15-T147 HydrophobicContact CG2-CG2 4.42Å
16V96.3Very high92.7Very high26 Ų2642 Ų4216%0.15824%0.239CC..EExtended strand (participates in β ladder)trans-104.995.1172.1-175.50000107.9Q14 R18 F145 A146Q14-V16 HydrophobicContact CG-CG2 4.14Å; V16-R18 PolarHBondContact O-N 3.17Å; V16-F145 CarbonylContact O-C 3.47Å; V16-F145 VanDerWaalsContact O-CA 3.27Å; V16-F145 WeakPolarHBondContact O-CA 3.2Å; V16-A146 HydrophobicContact CB-CB 4.5Å; V16-A146 PolarHBondContact N-O 3.07Å; V16-A146 PolarHBondContact O-N 2.84Å
17F95.9Very high93.9Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-76.6117-179-163.2-75.8000109.7V20 M35 F57 N58 H59 F87 V143F17-V20 HydrophobicContact CE1-CG2 3.86Å; F17-V20 HydrophobicContact CZ-CG2 3.62Å; F17-M35 HydrophobicContact CD2-CG 4.28Å; F17-M35 HydrophobicContact CE1-CB 4.5Å; F17-M35 HydrophobicContact CE2-CB 4.05Å; F17-M35 HydrophobicContact CE2-CE 3.87Å; F17-M35 HydrophobicContact CE2-CG 3.51Å; F17-M35 HydrophobicContact CE2-SD 4.32Å; F17-M35 HydrophobicContact CZ-CB 3.94Å; F17-M35 HydrophobicContact CZ-CE 3.48Å; F17-M35 VanDerWaalsContact CZ-CE 3.48Å; F17-M35 HydrophobicContact CZ-CG 3.8Å; F17-M35 HydrophobicContact CZ-SD 4.41Å; F17-F57 HydrophobicContact CD1-CB 3.95Å; F17-F57 AromaticContact CD1-CD2 3.78Å; F17-F57 HydrophobicContact CD1-CD2 3.78Å; F17-F57 HydrophobicContact CD1-CG 4.11Å; F17-F57 HydrophobicContact CE1-CB 4.47Å; F17-F57 AromaticContact CE1-CD2 3.41Å; F17-F57 HydrophobicContact CE1-CD2 3.41Å; F17-F57 VanDerWaalsContact CE1-CD2 3.41Å; F17-F57 AromaticContact CE1-CE2 3.85Å; F17-F57 HydrophobicContact CE1-CE2 3.85Å; F17-F57 HydrophobicContact CE1-CG 4.16Å; F17-F57 HydrophobicContact CZ-CD2 4.5Å; F17-N58 CarbonylContact O-C 3.57Å; F17-N58 WeakPolarHBondContact O-CA 3.44Å; F17-N58 PolarHBondContact O-N 3.48Å; F17-H59 WeakPolarHBondContact CB-O 3.11Å; F17-H59 PolarHBondContact N-O 2.8Å; F17-H59 PolarHBondContact O-N 2.73Å; F17-F87 HydrophobicContact CE2-CD2 4.27Å; F17-F87 HydrophobicContact CE2-CE2 4.37Å; F17-V143 HydrophobicContact CD2-CG2 4.19Å; F17-V143 HydrophobicContact CE1-CG2 4.14Å; F17-V143 HydrophobicContact CE2-CG2 3.28Å; F17-V143 HydrophobicContact CZ-CB 4.36Å; F17-V143 HydrophobicContact CZ-CG2 3.26Å
18R96.2Very high94.6Very high110 Ų11046.4 Ų46.442%0.41525%0.253SS..EExtended strand (participates in β ladder)trans-88.8-65.9-176.5-61.5-60.4-171.8167.61.1111.2V16 F57 N58 E144V16-R18 PolarHBondContact O-N 3.17Å; R18-F57 PolarHBondContact O-N 2.85Å; R18-N58 WeakPolarHBondContact CD-OD1 3.2Å; R18-N58 PolarHBondContact O-N 2.91Å; R18-E144 WeakPolarHBondContact CA-O 3.29Å; R18-E144 HydrophobicContact CB-CB 4.45Å; R18-E144 HydrophobicContact CB-CG 4.42Å; R18-E144 WeakPolarHBondContact CB-O 3.42Å; R18-E144 PolarHBondContact N-O 2.86Å
19K97.4Very high95Very high62 Ų6250.2 Ų50.227%0.2727%0.269SS..EExtended strand (participates in β ladder)trans-159.5162.2-171.760.6-177175.1-172.30112.6T21 L55 V56 E144K19-T21 HydrophobicContact CD-CG2 3.84Å; K19-T21 HydrophobicContact CG-CG2 4.18Å; K19-L55 CarbonylContact C-O 3.39Å; K19-L55 WeakPolarHBondContact CA-O 3.29Å; K19-L55 WeakPolarHBondContact CB-O 3.36Å; K19-V56 HydrophobicContact CB-CG2 4.14Å; K19-E144 WeakPolarHBondContact CE-OE2 3.31Å; K19-E144 HydrophobicContact CG-CB 3.99Å; K19-E144 PolarHBondContact N-O 2.84Å; K19-E144 IonicContact NZ-OE1 3.68Å; K19-E144 IonicContact NZ-OE2 2.62Å; K19-E144 PolarHBondContact NZ-OE2 2.86Å; K19-E144 PolarHBondContact O-N 2.91Å
20V98.2Very high95.2Very high0 Ų056.9 Ų56.90%030%0.298CS..EExtended strand (participates in β ladder)trans-112.9131.4160.6-174.10000109F17 M35 F53 P54 L55 F57 L89 P141 K142 V143F17-V20 HydrophobicContact CE1-CG2 3.86Å; F17-V20 HydrophobicContact CZ-CG2 3.62Å; V20-M35 HydrophobicContact CG2-CE 3.69Å; V20-F53 HydrophobicContact CB-CE1 4.33Å; V20-F53 HydrophobicContact CG1-CE1 3.9Å; V20-P54 CarbonylContact O-C 3.59Å; V20-P54 WeakPolarHBondContact O-CA 3.47Å; V20-L55 HydrophobicContact CB-CB 4.34Å; V20-L55 HydrophobicContact CB-CD1 4.49Å; V20-L55 PolarHBondContact N-O 2.69Å; V20-L55 PolarHBondContact O-N 2.84Å; V20-F57 HydrophobicContact CG2-CE2 4.12Å; V20-L89 HydrophobicContact CG1-CD2 4.38Å; V20-L89 HydrophobicContact CG2-CD1 4.27Å; V20-P141 HydrophobicContact CG1-CB 3.73Å; V20-K142 CarbonylContact C-O 3.57Å; V20-K142 WeakPolarHBondContact CA-O 3.21Å; V20-V143 HydrophobicContact CG2-CB 4.33Å; V20-V143 HydrophobicContact CG2-CG2 4.4Å
21T97.9Very high95.3Very high38 Ų3861.2 Ų61.223%0.23331%0.311CS..EExtended strand (participates in β ladder)trans-115.9130.1179.458.30000110.3K19 P54 K142K19-T21 HydrophobicContact CD-CG2 3.84Å; K19-T21 HydrophobicContact CG-CG2 4.18Å; T21-P54 HydrophobicContact CG2-CB 4.08Å; T21-K142 PolarHBondContact N-O 3.12Å; T21-K142 PolarHBondContact O-N 3.18Å; T21-K142 PolarHBondContact OG1-O 3.04Å
22C97.3Very high95.4Very high4 Ų462.3 Ų62.33%0.02732%0.323CS..  trans-145.494.6169.9-159.60000108.9V25 F53 F136 I139 P141C22-V25 HydrophobicContact CB-CB 4.31Å; C22-V25 HydrophobicContact CB-CG2 4.4Å; C22-V25 WeakPolarHBondContact SG-CG2 3.39Å; C22-F53 HydrophobicContact CB-CD1 3.85Å; C22-F53 HydrophobicContact CB-CD2 4.09Å; C22-F53 HydrophobicContact CB-CE1 3.89Å; C22-F53 HydrophobicContact CB-CE2 4.13Å; C22-F53 HydrophobicContact CB-CG 3.96Å; C22-F53 HydrophobicContact CB-CZ 4.03Å; C22-F136 HydrophobicContact CB-CZ 4.17Å; C22-I139 PolarHBondContact SG-O 3.21Å; C22-I139 VanDerWaalsContact SG-O 3.39Å; C22-P141 HydrophobicContact CB-CB 4.01Å
23P94.1Very high95.5Very high99 Ų9957.2 Ų57.264%0.64330%0.3SS*.THydrogen-bonded Turntrans-67.2144.8-176.327.6-34.9000111.6V25 I139P23-V25 PolarHBondContact O-N 2.91Å; P23-I139 HydrophobicContact CG-CD1 4.07Å
24G91.9Very high95.6Very high93 Ų9358.6 Ų58.696%0.95931%0.306SS*.THydrogen-bonded Turntrans73.8-2.117800000115.8
25V94.8Very high95.6Very high21 Ų2156.2 Ų56.213%0.12730%0.295CS..  trans-91.3124.7-178.6169.20000112.1C22 P23 L27 F53 F136 P137C22-V25 HydrophobicContact CB-CB 4.31Å; C22-V25 HydrophobicContact CB-CG2 4.4Å; C22-V25 WeakPolarHBondContact SG-CG2 3.39Å; P23-V25 PolarHBondContact O-N 2.91Å; V25-L27 HydrophobicContact CG1-CD2 4.24Å; V25-L27 HydrophobicContact CG1-CG 4.41Å; V25-F53 HydrophobicContact CB-CD2 4.35Å; V25-F53 HydrophobicContact CB-CE2 4.49Å; V25-F53 HydrophobicContact CG1-CD2 4.19Å; V25-F53 HydrophobicContact CG1-CE2 3.95Å; V25-F136 HydrophobicContact CG1-CE1 4.29Å; V25-F136 HydrophobicContact CG1-CE2 4.25Å; V25-F136 HydrophobicContact CG1-CZ 3.84Å; V25-F136 HydrophobicContact CG2-CE1 4.43Å; V25-P137 HydrophobicContact CG1-CG 4.13Å; V25-P137 VanDerWaalsContact CG2-O 3.31Å; V25-P137 WeakPolarHBondContact CG2-O 3.3Å
26L93.4Very high95.7Very high128 Ų12856.9 Ų56.967%0.6730%0.299SS*.  trans-113.9124.2169.4-179.764.4000110.1
27L93.9Very high95.8Very high6 Ų655.6 Ų55.63%0.03129%0.292CS..  trans-86.8129.6176.5-63.9173.5000111V25 K30 I33 P51 F53 L100 F136 P137V25-L27 HydrophobicContact CG1-CD2 4.24Å; V25-L27 HydrophobicContact CG1-CG 4.41Å; L27-K30 PolarHBondContact O-NZ 2.98Å; L27-K30 VanDerWaalsContact O-NZ 3.17Å; L27-I33 HydrophobicContact CD1-CD1 3.24Å; L27-P51 HydrophobicContact CB-CB 4.33Å; L27-P51 HydrophobicContact CD1-CB 4.15Å; L27-F53 HydrophobicContact CD1-CE2 3.95Å; L27-F53 HydrophobicContact CG-CE2 4.33Å; L27-L100 HydrophobicContact CD1-CD1 4.02Å; L27-F136 HydrophobicContact CD1-CE2 4.39Å; L27-F136 HydrophobicContact CD2-CD2 3.88Å; L27-F136 HydrophobicContact CD2-CE2 3.86Å; L27-P137 HydrophobicContact CD2-CG 4.05Å
28K91.8Very high95.9Very high200 Ų20059.7 Ų59.787%0.8731%0.307SS*.SBendtrans-65.6-49.7-178.5-64.3-177.2179.6-179.60111
29K93Very high95.9Very high83 Ų8354.5 Ų54.536%0.36129%0.287SS..SBendtrans-72.1138.2178.1-61.2-175.7-177.4-179.10109.9Y31 Q91 V93 D98K29-Y31 HydrophobicContact CB-CD2 4.13Å; K29-Q91 PolarHBondContact O-NE2 3.17Å; K29-V93 HydrophobicContact CD-CG1 4.28Å; K29-V93 HydrophobicContact CD-CG2 3.53Å; K29-D98 IonicContact NZ-OD1 2.79Å; K29-D98 IonicContact NZ-OD2 3.57Å; K29-D98 PolarHBondContact NZ-OD2 3.12Å
30K93.7Very high95.8Very high143 Ų14351.8 Ų51.862%0.62228%0.276SS*.  trans-98.36-176.6-59.5-53.4-178.4-165.20115L27L27-K30 PolarHBondContact O-NZ 2.98Å; L27-K30 VanDerWaalsContact O-NZ 3.17Å
31Y96.1Very high95.5Very high114 Ų11454 Ų5445%0.44730%0.299SS..SBendtrans-65.1151.1174.4-60.4-73.4000112.2K29 P51 Q91 L92 V93 P94K29-Y31 HydrophobicContact CB-CD2 4.13Å; Y31-P51 WeakPolarHBondContact O-CG 3.27Å; Y31-Q91 PolarHBondContact O-NE2 3.33Å; Y31-L92 VanDerWaalsContact CB-O 3.3Å; Y31-L92 WeakPolarHBondContact CB-O 3.47Å; Y31-L92 WeakPolarHBondContact CD1-O 3.45Å; Y31-L92 VanDerWaalsContact CG-O 3.32Å; Y31-V93 HydrophobicContact CD2-CB 4.3Å; Y31-V93 HydrophobicContact CD2-CG1 4.29Å; Y31-V93 HydrophobicContact CD2-CG2 3.92Å; Y31-V93 HydrophobicContact CE2-CG1 4.11Å; Y31-P94 HydrophobicContact CE1-CG 4.47Å
32G96.8Very high95.4Very high23 Ų2354.9 Ų54.924%0.23730%0.301CS..  trans-65.6155.1178.900000113.3L49 L92G32-L49 CarbonylContact C-O 3.5Å; G32-L49 WeakPolarHBondContact CA-O 3.45Å; G32-L92 PolarHBondContact O-N 2.88Å
33I97.7Very high95.4Very high0 Ų061.3 Ų61.30%033%0.325CS..EExtended strand (participates in β ladder)trans-120.2139.4-177.7-58.6179.6000109.9L27 C48 L49 P51 L55 L89 I90 Q91 L100L27-I33 HydrophobicContact CD1-CD1 3.24Å; I33-C48 CarbonylContact O-C 3.57Å; I33-C48 WeakPolarHBondContact O-CA 3.28Å; I33-L49 PolarHBondContact N-O 2.86Å; I33-L49 PolarHBondContact O-N 2.82Å; I33-P51 HydrophobicContact CD1-CB 3.58Å; I33-P51 HydrophobicContact CG1-CB 3.96Å; I33-L55 HydrophobicContact CB-CD1 4.2Å; I33-L55 HydrophobicContact CD1-CD1 4.23Å; I33-L55 HydrophobicContact CG2-CD1 3.73Å; I33-L89 HydrophobicContact CG2-CD1 3.48Å; I33-L89 VanDerWaalsContact CG2-CD1 3.48Å; I33-L89 HydrophobicContact CG2-CG 3.91Å; I33-I90 VanDerWaalsContact CA-O 3.31Å; I33-I90 WeakPolarHBondContact CA-O 3.31Å; I33-I90 WeakPolarHBondContact CG2-O 3.12Å; I33-Q91 HydrophobicContact CG1-CB 4.05Å; I33-Q91 HydrophobicContact CG1-CG 4.02Å; I33-L100 HydrophobicContact CD1-CD1 4.01Å
34Y97.7Very high95.6Very high30 Ų3060.6 Ų60.612%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-134.4162172.268.2-78.8000110.9K45 T46 I90 L92Y34-K45 HydrophobicContact CD2-CB 3.81Å; Y34-K45 HydrophobicContact CD2-CD 4.46Å; Y34-K45 HydrophobicContact CE2-CB 4.03Å; Y34-K45 HydrophobicContact CE2-CD 4.29Å; Y34-T46 WeakPolarHBondContact CB-OG1 3.28Å; Y34-I90 HydrophobicContact CD1-CB 4.29Å; Y34-I90 HydrophobicContact CE1-CB 3.73Å; Y34-I90 HydrophobicContact CE1-CG2 3.65Å; Y34-I90 HydrophobicContact CE2-CB 4.24Å; Y34-I90 HydrophobicContact CE2-CD1 4.11Å; Y34-I90 PolarHBondContact N-O 3.1Å; Y34-I90 PolarHBondContact O-N 3.1Å; Y34-L92 HydrophobicContact CD1-CD1 4.47Å; Y34-L92 HydrophobicContact CD1-CD2 4.14Å; Y34-L92 HydrophobicContact CD1-CG 3.9Å; Y34-L92 HydrophobicContact CE1-CD2 3.47Å; Y34-L92 VanDerWaalsContact CE1-CD2 3.47Å; Y34-L92 HydrophobicContact CE1-CG 3.72Å
35M98.1Very high95.9Very high0 Ų063.2 Ų63.20%030%0.297CS..EExtended strand (participates in β ladder)trans-95.8125.8166.1-172.765.568.300109.1F17 V20 V37 K45 T46 F87 E88 L89 M130F17-M35 HydrophobicContact CD2-CG 4.28Å; F17-M35 HydrophobicContact CE1-CB 4.5Å; F17-M35 HydrophobicContact CE2-CB 4.05Å; F17-M35 HydrophobicContact CE2-CE 3.87Å; F17-M35 HydrophobicContact CE2-CG 3.51Å; F17-M35 HydrophobicContact CE2-SD 4.32Å; F17-M35 HydrophobicContact CZ-CB 3.94Å; F17-M35 HydrophobicContact CZ-CE 3.48Å; F17-M35 VanDerWaalsContact CZ-CE 3.48Å; F17-M35 HydrophobicContact CZ-CG 3.8Å; F17-M35 HydrophobicContact CZ-SD 4.41Å; V20-M35 HydrophobicContact CG2-CE 3.69Å; M35-V37 HydrophobicContact CG-CG2 3.7Å; M35-K45 VanDerWaalsContact O-CA 3.3Å; M35-K45 WeakPolarHBondContact O-CA 3.07Å; M35-T46 HydrophobicContact CB-CG2 4.02Å; M35-T46 PolarHBondContact N-OG1 3.26Å; M35-T46 PolarHBondContact O-N 2.86Å; M35-F87 HydrophobicContact SD-CB 3.87Å; M35-E88 WeakPolarHBondContact CA-O 3.21Å; M35-E88 PolarHBondContact SD-N 2.96Å; M35-L89 HydrophobicContact CE-CB 4.16Å; M35-L89 HydrophobicContact CE-CD1 4.01Å; M35-M130 HydrophobicContact CE-CE 3.78Å; M35-M130 HydrophobicContact CE-SD 3.79Å; M35-M130 HydrophobicContact SD-CE 4.1Å
36S97.8Very high96Very high14 Ų1462.5 Ų62.510%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-89.3137.7161171.70000108.5F87 E88S36-F87 CarbonylContact O-C 3.49Å; S36-F87 WeakPolarHBondContact O-CA 3.19Å; S36-E88 VanDerWaalsContact CB-OE2 3.29Å; S36-E88 WeakPolarHBondContact CB-OE2 2.86Å; S36-E88 PolarHBondContact N-O 2.99Å; S36-E88 PolarHBondContact O-N 2.94Å; S36-E88 PolarHBondContact OG-OE2 2.87Å
37V98.2Very high96.1Very high0 Ų060.7 Ų60.70%029%0.287CS..EExtended strand (participates in β ladder)trans-135119.2-177.7177.60000109M35 I39 Y43 K44 M61 F63 V86 F87M35-V37 HydrophobicContact CG-CG2 3.7Å; V37-I39 HydrophobicContact CG1-CD1 3.73Å; V37-I39 HydrophobicContact CG1-CG1 3.79Å; V37-Y43 CarbonylContact O-C 3.5Å; V37-Y43 WeakPolarHBondContact O-CA 3.33Å; V37-K44 PolarHBondContact N-O 2.89Å; V37-K44 PolarHBondContact O-N 2.78Å; V37-M61 HydrophobicContact CB-SD 3.87Å; V37-M61 HydrophobicContact CG1-SD 4.37Å; V37-M61 HydrophobicContact CG2-CE 4.14Å; V37-M61 HydrophobicContact CG2-SD 3.93Å; V37-F63 HydrophobicContact CB-CZ 4.2Å; V37-F63 HydrophobicContact CG1-CE1 4.39Å; V37-F63 HydrophobicContact CG1-CE2 4.23Å; V37-F63 HydrophobicContact CG1-CZ 3.6Å; V37-V86 WeakPolarHBondContact CA-O 3.48Å; V37-F87 HydrophobicContact CB-CD1 4.36Å; V37-F87 HydrophobicContact CG1-CD1 3.78Å; V37-F87 HydrophobicContact CG1-CE1 3.62Å; V37-F87 HydrophobicContact CG2-CD1 4.08Å; V37-F87 HydrophobicContact CG2-CE1 4.35Å; V37-F87 HydrophobicContact CG2-CG 4.42Å
38R98.2Very high96.2Very high86 Ų8663.4 Ų63.433%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-110.3121.7173.5-172.3-162.4-51.1-161.80.8109.3Q42 Y43 T85 V86R38-Q42 VanDerWaalsContact CA-O 3.3Å; R38-Q42 WeakPolarHBondContact CA-O 3.33Å; R38-Y43 HydrophobicContact CB-CD1 4.1Å; R38-Y43 HydrophobicContact CB-CE1 4.16Å; R38-Y43 HydrophobicContact CG-CD1 4.12Å; R38-Y43 HydrophobicContact CG-CD2 4.38Å; R38-Y43 HydrophobicContact CG-CE1 3.91Å; R38-Y43 HydrophobicContact CG-CE2 4.14Å; R38-Y43 HydrophobicContact CG-CG 4.38Å; R38-Y43 PolarHBondContact NE-OH 2.83Å; R38-Y43 PolarHBondContact NH1-OH 2.9Å; R38-Y43 PolarHBondContact NH2-OH 3.43Å; R38-T85 WeakPolarHBondContact O-CA 3.49Å; R38-V86 HydrophobicContact CB-CB 4.23Å; R38-V86 PolarHBondContact N-O 2.93Å; R38-V86 PolarHBondContact O-N 2.89Å
39I97.1Very high96.5Very high0 Ų055.7 Ų55.70%027%0.274CS..EExtended strand (participates in β ladder)trans-143.1131.7176.6-56.2177.7000108.9L13 V15 V37 G41 Q42 F63 T85 F87 F110L13-I39 HydrophobicContact CD2-CD1 3.65Å; L13-I39 HydrophobicContact CD2-CG2 3.73Å; V15-I39 HydrophobicContact CG2-CD1 3.84Å; V37-I39 HydrophobicContact CG1-CD1 3.73Å; V37-I39 HydrophobicContact CG1-CG1 3.79Å; I39-G41 PolarHBondContact O-N 2.88Å; I39-Q42 PolarHBondContact N-O 2.83Å; I39-Q42 WeakPolarHBondContact O-CB 3.46Å; I39-Q42 PolarHBondContact O-N 2.62Å; I39-F63 HydrophobicContact CB-CD1 4.1Å; I39-F63 HydrophobicContact CB-CE1 4.26Å; I39-F63 HydrophobicContact CB-CG 4.26Å; I39-F63 HydrophobicContact CD1-CD2 4.09Å; I39-F63 HydrophobicContact CD1-CE2 3.81Å; I39-F63 HydrophobicContact CD1-CZ 4.12Å; I39-F63 HydrophobicContact CG1-CE1 4.48Å; I39-F63 HydrophobicContact CG1-CE2 4.49Å; I39-F63 HydrophobicContact CG1-CZ 4.37Å; I39-T85 HydrophobicContact CD1-CG2 4.17Å; I39-T85 HydrophobicContact CG1-CG2 3.78Å; I39-F87 HydrophobicContact CD1-CE1 4.24Å; I39-F110 HydrophobicContact CD1-CE1 3.84Å; I39-F110 HydrophobicContact CD1-CZ 4.08Å
40M93.9Very high96.7Very high5 Ų556.1 Ų56.13%0.02529%0.285CS..THydrogen-bonded Turntrans55.434.4178.7-59.2174.1-64.600113.6L11 L13 Q42 F63 K65 L80 D83L11-M40 HydrophobicContact CB-SD 4.48Å; L11-M40 HydrophobicContact CD2-SD 3.38Å; L11-M40 WeakPolarHBondContact CD2-SD 3.44Å; L11-M40 HydrophobicContact CG-CE 4.42Å; L11-M40 HydrophobicContact CG-SD 3.81Å; L13-M40 HydrophobicContact CB-CE 4.06Å; M40-Q42 VanDerWaalsContact C-N 3.27Å; M40-Q42 PolarHBondContact O-N 3.02Å; M40-F63 HydrophobicContact CE-CB 3.65Å; M40-K65 HydrophobicContact CB-CB 3.94Å; M40-K65 HydrophobicContact CB-CD 4.12Å; M40-K65 HydrophobicContact CB-CG 4.11Å; M40-K65 HydrophobicContact CE-CB 4.08Å; M40-K65 HydrophobicContact CG-CB 4.18Å; M40-K65 HydrophobicContact CG-CG 4.44Å; M40-K65 PolarHBondContact O-NZ 2.94Å; M40-K65 HydrophobicContact SD-CB 3.41Å; M40-K65 WeakPolarHBondContact SD-CB 3.49Å; M40-K65 HydrophobicContact SD-CG 4.15Å; M40-L80 HydrophobicContact CG-CD2 4.19Å; M40-L80 HydrophobicContact SD-CD2 4.32Å; M40-D83 WeakPolarHBondContact CA-OD1 3.42Å; M40-D83 VanDerWaalsContact CA-OD2 3.22Å; M40-D83 WeakPolarHBondContact CA-OD2 3.3Å; M40-D83 PolarHBondContact N-OD2 2.97Å
41G92.1Very high96.8Very high48 Ų4849.8 Ų49.850%0.49526%0.259SS..THydrogen-bonded Turntrans73.61.9-173.700000116.4I39 D83I39-G41 PolarHBondContact O-N 2.88Å; G41-D83 PolarHBondContact N-OD1 3.17Å
42Q96.8Very high96.8Very high56 Ų5649.1 Ų49.126%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-98.2134.9176.8-79.91638800111.5R38 I39 M40 F63 V64R38-Q42 VanDerWaalsContact CA-O 3.3Å; R38-Q42 WeakPolarHBondContact CA-O 3.33Å; I39-Q42 PolarHBondContact N-O 2.83Å; I39-Q42 WeakPolarHBondContact O-CB 3.46Å; I39-Q42 PolarHBondContact O-N 2.62Å; M40-Q42 VanDerWaalsContact C-N 3.27Å; M40-Q42 PolarHBondContact O-N 3.02Å; Q42-F63 HydrophobicContact CB-CD1 3.78Å; Q42-F63 HydrophobicContact CB-CE1 4.4Å; Q42-V64 PolarHBondContact NE2-O 3.4Å
43Y97.4Very high96.8Very high139 Ų13949.6 Ų49.655%0.54526%0.262SS..EExtended strand (participates in β ladder)trans-105.3134.4178-64-106.4000111V37 R38V37-Y43 CarbonylContact O-C 3.5Å; V37-Y43 WeakPolarHBondContact O-CA 3.33Å; R38-Y43 HydrophobicContact CB-CD1 4.1Å; R38-Y43 HydrophobicContact CB-CE1 4.16Å; R38-Y43 HydrophobicContact CG-CD1 4.12Å; R38-Y43 HydrophobicContact CG-CD2 4.38Å; R38-Y43 HydrophobicContact CG-CE1 3.91Å; R38-Y43 HydrophobicContact CG-CE2 4.14Å; R38-Y43 HydrophobicContact CG-CG 4.38Å; R38-Y43 PolarHBondContact NE-OH 2.83Å; R38-Y43 PolarHBondContact NH1-OH 2.9Å; R38-Y43 PolarHBondContact NH2-OH 3.43Å
44K98.2Very high96.8Very high84 Ų8453.4 Ų53.437%0.36529%0.287SS..EExtended strand (participates in β ladder)trans-139.3152.2171.8-64.1-166.9177.2-153.60109.8V37 M61 V62 F63V37-K44 PolarHBondContact N-O 2.89Å; V37-K44 PolarHBondContact O-N 2.78Å; K44-M61 HydrophobicContact CB-CE 4.3Å; K44-M61 HydrophobicContact CB-CG 4.3Å; K44-M61 HydrophobicContact CB-SD 3.56Å; K44-M61 VanDerWaalsContact CB-SD 3.56Å; K44-M61 HydrophobicContact CD-CB 4.29Å; K44-V62 VanDerWaalsContact CE-O 3.27Å; K44-V62 WeakPolarHBondContact CE-O 3.28Å; K44-V62 PolarHBondContact NZ-O 3.34Å; K44-F63 HydrophobicContact CB-CE1 3.95Å; K44-F63 HydrophobicContact CB-CZ 3.91Å; K44-F63 HydrophobicContact CD-CD1 4.21Å; K44-F63 HydrophobicContact CD-CE1 3.85Å; K44-F63 HydrophobicContact CD-CZ 4.03Å; K44-F63 HydrophobicContact CG-CD1 4.36Å; K44-F63 HydrophobicContact CG-CE1 3.66Å; K44-F63 HydrophobicContact CG-CZ 4.02Å
45K97.4Very high96.8Very high147 Ų14752 Ų5264%0.63928%0.281SS*.EExtended strand (participates in β ladder)trans-130.8147.2179.563.1179.1179.6-177.90111.4Y34 M35 M61Y34-K45 HydrophobicContact CD2-CB 3.81Å; Y34-K45 HydrophobicContact CD2-CD 4.46Å; Y34-K45 HydrophobicContact CE2-CB 4.03Å; Y34-K45 HydrophobicContact CE2-CD 4.29Å; M35-K45 VanDerWaalsContact O-CA 3.3Å; M35-K45 WeakPolarHBondContact O-CA 3.07Å; K45-M61 VanDerWaalsContact C-CE 3.46Å
46T98Very high96.8Very high7 Ų755.5 Ų55.54%0.04330%0.302CS..PPolyproline II helixtrans-73.8169170.361.90000111Y34 M35 F57 H59 M61Y34-T46 WeakPolarHBondContact CB-OG1 3.28Å; M35-T46 HydrophobicContact CB-CG2 4.02Å; M35-T46 PolarHBondContact N-OG1 3.26Å; M35-T46 PolarHBondContact O-N 2.86Å; T46-F57 HydrophobicContact CG2-CB 4.36Å; T46-F57 HydrophobicContact CG2-CD1 3.91Å; T46-F57 HydrophobicContact CG2-CE1 4.46Å; T46-F57 HydrophobicContact CG2-CG 4.21Å; T46-F57 VanDerWaalsContact OG1-CD1 3.31Å; T46-F57 WeakPolarHBondContact OG1-CD1 3.38Å; T46-F57 WeakPolarHBondContact OG1-CE1 3.43Å; T46-H59 HydrophobicContact CG2-CB 4.02Å; T46-M61 HydrophobicContact CG2-CE 3.59Å
47T95Very high96.7Very high89 Ų8955.6 Ų55.655%0.54630%0.301SS..PPolyproline II helixtrans-62.7156.4158.746.80000110.4
48C95.4Very high96.5Very high64 Ų6460.3 Ų60.343%0.43233%0.326SS..PPolyproline II helixtrans-83.3138.7178.1-62.80000111.1I33 L92I33-C48 CarbonylContact O-C 3.57Å; I33-C48 WeakPolarHBondContact O-CA 3.28Å; C48-L92 HydrophobicContact CB-CD1 4.41Å; C48-L92 WeakPolarHBondContact SG-CD1 3.36Å
49L97.8Very high96.5Very high37 Ų3758.9 Ų58.919%0.19432%0.323CS..BIsolated β-bridgetrans-114.5157.9176-61.1-179.7000110.7G32 I33 L55 V56 F57G32-L49 CarbonylContact C-O 3.5Å; G32-L49 WeakPolarHBondContact CA-O 3.45Å; I33-L49 PolarHBondContact N-O 2.86Å; I33-L49 PolarHBondContact O-N 2.82Å; L49-L55 HydrophobicContact CB-CD2 4.21Å; L49-L55 HydrophobicContact CD1-CB 4.18Å; L49-V56 VanDerWaalsContact CD1-O 3.29Å; L49-V56 WeakPolarHBondContact CD1-O 3.12Å; L49-F57 HydrophobicContact CB-CE1 4.4Å; L49-F57 HydrophobicContact CD1-CB 4.44Å; L49-F57 HydrophobicContact CD1-CD1 3.42Å; L49-F57 VanDerWaalsContact CD1-CD1 3.42Å; L49-F57 HydrophobicContact CD1-CD2 3.94Å; L49-F57 HydrophobicContact CD1-CE1 3.51Å; L49-F57 HydrophobicContact CD1-CE2 4.05Å; L49-F57 HydrophobicContact CD1-CG 3.67Å; L49-F57 HydrophobicContact CD1-CZ 3.85Å; L49-F57 HydrophobicContact CG-CD1 3.77Å; L49-F57 HydrophobicContact CG-CE1 3.68Å; L49-F57 HydrophobicContact CG-CG 4.48Å; L49-F57 HydrophobicContact CG-CZ 4.36Å
50P97.2Very high96.5Very high92 Ų9266.8 Ų66.860%0.59735%0.353SS*.  trans-56148.5168.3-23.334.3000111.7V52 L55P50-V52 PolarHBondContact O-N 3.22Å; P50-L55 WeakPolarHBondContact O-CD2 3.31Å
51P96.1Very high96.7Very high10 Ų1066.8 Ų66.87%0.06535%0.353CS..SBendtrans-7958.5-175.833.1-36.7000112.8L27 Y31 I33L27-P51 HydrophobicContact CB-CB 4.33Å; L27-P51 HydrophobicContact CD1-CB 4.15Å; Y31-P51 WeakPolarHBondContact O-CG 3.27Å; I33-P51 HydrophobicContact CD1-CB 3.58Å; I33-P51 HydrophobicContact CG1-CB 3.96Å
52V95.9Very high96.9Very high101 Ų10166.6 Ų66.661%0.61234%0.342SS*.  trans-131123.1-178.2-177.40000108.7P50 P54 L55P50-V52 PolarHBondContact O-N 3.22Å; V52-P54 CarbonylContact O-C 3.44Å; V52-L55 WeakPolarHBondContact O-CD2 3.21Å
53F96.9Very high97Very high33 Ų3364 Ų6415%0.14533%0.33CS..SBendtrans-82.3145.2177.6-72.2-79.3000111.6V20 C22 V25 L27 L55 L89 F136V20-F53 HydrophobicContact CB-CE1 4.33Å; V20-F53 HydrophobicContact CG1-CE1 3.9Å; C22-F53 HydrophobicContact CB-CD1 3.85Å; C22-F53 HydrophobicContact CB-CD2 4.09Å; C22-F53 HydrophobicContact CB-CE1 3.89Å; C22-F53 HydrophobicContact CB-CE2 4.13Å; C22-F53 HydrophobicContact CB-CG 3.96Å; C22-F53 HydrophobicContact CB-CZ 4.03Å; V25-F53 HydrophobicContact CB-CD2 4.35Å; V25-F53 HydrophobicContact CB-CE2 4.49Å; V25-F53 HydrophobicContact CG1-CD2 4.19Å; V25-F53 HydrophobicContact CG1-CE2 3.95Å; L27-F53 HydrophobicContact CD1-CE2 3.95Å; L27-F53 HydrophobicContact CG-CE2 4.33Å; F53-L55 HydrophobicContact CD1-CD1 4.15Å; F53-L55 HydrophobicContact CD1-CG 3.91Å; F53-L55 HydrophobicContact CE1-CD1 3.56Å; F53-L55 HydrophobicContact CE1-CG 3.87Å; F53-L55 HydrophobicContact CZ-CD1 3.95Å; F53-L89 HydrophobicContact CZ-CD2 4.25Å; F53-F136 AromaticContact CE2-CE2 3.85Å; F53-F136 HydrophobicContact CE2-CE2 3.85Å; F53-F136 AromaticContact CE2-CZ 3.8Å; F53-F136 HydrophobicContact CE2-CZ 3.8Å; F53-F136 AromaticContact CZ-CE2 3.72Å; F53-F136 HydrophobicContact CZ-CE2 3.72Å; F53-F136 AromaticContact CZ-CZ 3.67Å; F53-F136 HydrophobicContact CZ-CZ 3.67Å
54P97.3Very high96.9Very high79 Ų7960 Ų6051%0.51332%0.32SS..SBendcis-76.6136.4-1.732.5-35.3000112.7V20 T21 V52 V56V20-P54 CarbonylContact O-C 3.59Å; V20-P54 WeakPolarHBondContact O-CA 3.47Å; T21-P54 HydrophobicContact CG2-CB 4.08Å; V52-P54 CarbonylContact O-C 3.44Å; P54-V56 HydrophobicContact CB-CG2 4.4Å; P54-V56 HydrophobicContact CG-CG2 4.29Å; P54-V56 PolarHBondContact O-N 2.8Å
55L97.9Very high96.8Very high2 Ų259.4 Ų59.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-79.697.4175.7-63.3171.2000108.5K19 V20 I33 L49 P50 V52 F53 F57 L89K19-L55 CarbonylContact C-O 3.39Å; K19-L55 WeakPolarHBondContact CA-O 3.29Å; K19-L55 WeakPolarHBondContact CB-O 3.36Å; V20-L55 HydrophobicContact CB-CB 4.34Å; V20-L55 HydrophobicContact CB-CD1 4.49Å; V20-L55 PolarHBondContact N-O 2.69Å; V20-L55 PolarHBondContact O-N 2.84Å; I33-L55 HydrophobicContact CB-CD1 4.2Å; I33-L55 HydrophobicContact CD1-CD1 4.23Å; I33-L55 HydrophobicContact CG2-CD1 3.73Å; L49-L55 HydrophobicContact CB-CD2 4.21Å; L49-L55 HydrophobicContact CD1-CB 4.18Å; P50-L55 WeakPolarHBondContact O-CD2 3.31Å; V52-L55 WeakPolarHBondContact O-CD2 3.21Å; F53-L55 HydrophobicContact CD1-CD1 4.15Å; F53-L55 HydrophobicContact CD1-CG 3.91Å; F53-L55 HydrophobicContact CE1-CD1 3.56Å; F53-L55 HydrophobicContact CE1-CG 3.87Å; F53-L55 HydrophobicContact CZ-CD1 3.95Å; L55-F57 HydrophobicContact CB-CD2 4.29Å; L55-F57 HydrophobicContact CB-CE2 3.54Å; L55-F57 HydrophobicContact CB-CZ 3.98Å; L55-F57 HydrophobicContact CD1-CE2 4.47Å; L55-F57 HydrophobicContact CD1-CZ 4.39Å; L55-F57 VanDerWaalsContact O-CD2 3.28Å; L55-F57 WeakPolarHBondContact O-CD2 3.36Å; L55-L89 HydrophobicContact CD1-CD1 3.97Å
56V97.8Very high96.6Very high72 Ų7256.4 Ų56.444%0.43631%0.308SS..EExtended strand (participates in β ladder)trans-94.7106.1-177.1-177.20000110.5K19 L49 P54 N58K19-V56 HydrophobicContact CB-CG2 4.14Å; L49-V56 VanDerWaalsContact CD1-O 3.29Å; L49-V56 WeakPolarHBondContact CD1-O 3.12Å; P54-V56 HydrophobicContact CB-CG2 4.4Å; P54-V56 HydrophobicContact CG-CG2 4.29Å; P54-V56 PolarHBondContact O-N 2.8Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.27Å
57F96.2Very high96.2Very high17 Ų1756.5 Ų56.58%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-96.8-37.1-175.3-62.8-90.3000113.5F17 R18 V20 T46 L49 L55 H59F17-F57 HydrophobicContact CD1-CB 3.95Å; F17-F57 AromaticContact CD1-CD2 3.78Å; F17-F57 HydrophobicContact CD1-CD2 3.78Å; F17-F57 HydrophobicContact CD1-CG 4.11Å; F17-F57 HydrophobicContact CE1-CB 4.47Å; F17-F57 AromaticContact CE1-CD2 3.41Å; F17-F57 HydrophobicContact CE1-CD2 3.41Å; F17-F57 VanDerWaalsContact CE1-CD2 3.41Å; F17-F57 AromaticContact CE1-CE2 3.85Å; F17-F57 HydrophobicContact CE1-CE2 3.85Å; F17-F57 HydrophobicContact CE1-CG 4.16Å; F17-F57 HydrophobicContact CZ-CD2 4.5Å; R18-F57 PolarHBondContact O-N 2.85Å; V20-F57 HydrophobicContact CG2-CE2 4.12Å; T46-F57 HydrophobicContact CG2-CB 4.36Å; T46-F57 HydrophobicContact CG2-CD1 3.91Å; T46-F57 HydrophobicContact CG2-CE1 4.46Å; T46-F57 HydrophobicContact CG2-CG 4.21Å; T46-F57 VanDerWaalsContact OG1-CD1 3.31Å; T46-F57 WeakPolarHBondContact OG1-CD1 3.38Å; T46-F57 WeakPolarHBondContact OG1-CE1 3.43Å; L49-F57 HydrophobicContact CB-CE1 4.4Å; L49-F57 HydrophobicContact CD1-CB 4.44Å; L49-F57 HydrophobicContact CD1-CD1 3.42Å; L49-F57 VanDerWaalsContact CD1-CD1 3.42Å; L49-F57 HydrophobicContact CD1-CD2 3.94Å; L49-F57 HydrophobicContact CD1-CE1 3.51Å; L49-F57 HydrophobicContact CD1-CE2 4.05Å; L49-F57 HydrophobicContact CD1-CG 3.67Å; L49-F57 HydrophobicContact CD1-CZ 3.85Å; L49-F57 HydrophobicContact CG-CD1 3.77Å; L49-F57 HydrophobicContact CG-CE1 3.68Å; L49-F57 HydrophobicContact CG-CG 4.48Å; L49-F57 HydrophobicContact CG-CZ 4.36Å; L55-F57 HydrophobicContact CB-CD2 4.29Å; L55-F57 HydrophobicContact CB-CE2 3.54Å; L55-F57 HydrophobicContact CB-CZ 3.98Å; L55-F57 HydrophobicContact CD1-CE2 4.47Å; L55-F57 HydrophobicContact CD1-CZ 4.39Å; L55-F57 VanDerWaalsContact O-CD2 3.28Å; L55-F57 WeakPolarHBondContact O-CD2 3.36Å; F57-H59 HydrophobicContact CB-CB 4.22Å; F57-H59 PolarHBondContact O-N 3.48Å; F57-H59 VanDerWaalsContact O-N 3.12Å
58N95.1Very high95.8Very high98 Ų9856.3 Ų56.352%0.52431%0.31SS..EExtended strand (participates in β ladder)trans43.343.4-174.3-73.8-44.1000114.1F17 R18 V56F17-N58 CarbonylContact O-C 3.57Å; F17-N58 WeakPolarHBondContact O-CA 3.44Å; F17-N58 PolarHBondContact O-N 3.48Å; R18-N58 WeakPolarHBondContact CD-OD1 3.2Å; R18-N58 PolarHBondContact O-N 2.91Å; V56-N58 WeakPolarHBondContact CG1-ND2 3.27Å
59H97Very high95.2Very high56 Ų5655.1 Ų55.126%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-104.7131-168.3-168.985.7000111.7F17 T46 F57F17-H59 WeakPolarHBondContact CB-O 3.11Å; F17-H59 PolarHBondContact N-O 2.8Å; F17-H59 PolarHBondContact O-N 2.73Å; T46-H59 HydrophobicContact CG2-CB 4.02Å; F57-H59 HydrophobicContact CB-CB 4.22Å; F57-H59 PolarHBondContact O-N 3.48Å; F57-H59 VanDerWaalsContact O-N 3.12Å
60R96.9Very high94.5Very high167 Ų16753.7 Ų53.763%0.6330%0.301SS*.EExtended strand (participates in β ladder)trans-97.9121.2178.9-178.5-176179-167.53.9110.4Q14Q14-R60 VanDerWaalsContact CD-NE 3.28Å; Q14-R60 HydrophobicContact CG-CG 4.21Å
61M97.6Very high93.8Very high5 Ų554.7 Ų54.73%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-111145.6170.4-57.9-173.8-178.900109.9Q14 V15 V37 K44 K45 T46 F63Q14-M61 WeakPolarHBondContact CA-O 3.45Å; V15-M61 PolarHBondContact N-O 2.83Å; V15-M61 PolarHBondContact O-N 2.83Å; V37-M61 HydrophobicContact CB-SD 3.87Å; V37-M61 HydrophobicContact CG1-SD 4.37Å; V37-M61 HydrophobicContact CG2-CE 4.14Å; V37-M61 HydrophobicContact CG2-SD 3.93Å; K44-M61 HydrophobicContact CB-CE 4.3Å; K44-M61 HydrophobicContact CB-CG 4.3Å; K44-M61 HydrophobicContact CB-SD 3.56Å; K44-M61 VanDerWaalsContact CB-SD 3.56Å; K44-M61 HydrophobicContact CD-CB 4.29Å; K45-M61 VanDerWaalsContact C-CE 3.46Å; T46-M61 HydrophobicContact CG2-CE 3.59Å; M61-F63 HydrophobicContact CB-CD2 4.35Å; M61-F63 HydrophobicContact CB-CE2 3.5Å; M61-F63 HydrophobicContact CB-CZ 3.94Å; M61-F63 HydrophobicContact SD-CE2 4.3Å; M61-F63 HydrophobicContact SD-CZ 3.91Å
62V97.6Very high93.3Very high44 Ų4458.4 Ų58.427%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-130.4126.2174.3-179.60000108.6K12 L13 Q14 K44 V64K12-V62 HydrophobicContact CG-CG1 4.23Å; L13-V62 CarbonylContact O-C 3.51Å; L13-V62 VanDerWaalsContact O-CA 3.28Å; L13-V62 WeakPolarHBondContact O-CA 3.46Å; Q14-V62 HydrophobicContact CB-CG2 4.44Å; Q14-V62 HydrophobicContact CG-CG2 4.48Å; K44-V62 VanDerWaalsContact CE-O 3.27Å; K44-V62 WeakPolarHBondContact CE-O 3.28Å; K44-V62 PolarHBondContact NZ-O 3.34Å; V62-V64 HydrophobicContact CG1-CG2 4.42Å
63F97.9Very high92.7Very high0 Ų057.5 Ų57.50%031%0.312CS..EExtended strand (participates in β ladder)trans-116.8135.1-179-57.1-96.4000108.3L13 V15 V37 I39 M40 Q42 K44 M61L13-F63 HydrophobicContact CB-CB 4.44Å; L13-F63 HydrophobicContact CD2-CD2 4.25Å; L13-F63 PolarHBondContact N-O 3.46Å; L13-F63 PolarHBondContact O-N 3.21Å; V15-F63 HydrophobicContact CB-CE2 4.45Å; V15-F63 HydrophobicContact CG2-CD2 4.24Å; V15-F63 HydrophobicContact CG2-CE2 3.97Å; V37-F63 HydrophobicContact CB-CZ 4.2Å; V37-F63 HydrophobicContact CG1-CE1 4.39Å; V37-F63 HydrophobicContact CG1-CE2 4.23Å; V37-F63 HydrophobicContact CG1-CZ 3.6Å; I39-F63 HydrophobicContact CB-CD1 4.1Å; I39-F63 HydrophobicContact CB-CE1 4.26Å; I39-F63 HydrophobicContact CB-CG 4.26Å; I39-F63 HydrophobicContact CD1-CD2 4.09Å; I39-F63 HydrophobicContact CD1-CE2 3.81Å; I39-F63 HydrophobicContact CD1-CZ 4.12Å; I39-F63 HydrophobicContact CG1-CE1 4.48Å; I39-F63 HydrophobicContact CG1-CE2 4.49Å; I39-F63 HydrophobicContact CG1-CZ 4.37Å; M40-F63 HydrophobicContact CE-CB 3.65Å; Q42-F63 HydrophobicContact CB-CD1 3.78Å; Q42-F63 HydrophobicContact CB-CE1 4.4Å; K44-F63 HydrophobicContact CB-CE1 3.95Å; K44-F63 HydrophobicContact CB-CZ 3.91Å; K44-F63 HydrophobicContact CD-CD1 4.21Å; K44-F63 HydrophobicContact CD-CE1 3.85Å; K44-F63 HydrophobicContact CD-CZ 4.03Å; K44-F63 HydrophobicContact CG-CD1 4.36Å; K44-F63 HydrophobicContact CG-CE1 3.66Å; K44-F63 HydrophobicContact CG-CZ 4.02Å; M61-F63 HydrophobicContact CB-CD2 4.35Å; M61-F63 HydrophobicContact CB-CE2 3.5Å; M61-F63 HydrophobicContact CB-CZ 3.94Å; M61-F63 HydrophobicContact SD-CE2 4.3Å; M61-F63 HydrophobicContact SD-CZ 3.91Å
64V96.3Very high92.3Very high57 Ų5758.1 Ų58.135%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-127.7118-179.4-178.90000109.3L11 K12 Q42 V62L11-V64 CarbonylContact O-C 3.58Å; L11-V64 WeakPolarHBondContact O-CA 3.3Å; K12-V64 HydrophobicContact CG-CG2 4.25Å; Q42-V64 PolarHBondContact NE2-O 3.4Å; V62-V64 HydrophobicContact CG1-CG2 4.42Å
65K95.2Very high92Very high70 Ų7056.8 Ų56.830%0.30431%0.312SS..EExtended strand (participates in β ladder)trans-113.5123.1177.1-178.468.1165.3-156.10108.7L11 M40 F67L11-K65 PolarHBondContact N-O 3.18Å; L11-K65 PolarHBondContact O-N 2.74Å; M40-K65 HydrophobicContact CB-CB 3.94Å; M40-K65 HydrophobicContact CB-CD 4.12Å; M40-K65 HydrophobicContact CB-CG 4.11Å; M40-K65 HydrophobicContact CE-CB 4.08Å; M40-K65 HydrophobicContact CG-CB 4.18Å; M40-K65 HydrophobicContact CG-CG 4.44Å; M40-K65 PolarHBondContact O-NZ 2.94Å; M40-K65 HydrophobicContact SD-CB 3.41Å; M40-K65 WeakPolarHBondContact SD-CB 3.49Å; M40-K65 HydrophobicContact SD-CG 4.15Å; K65-F67 HydrophobicContact CB-CE2 4.09Å; K65-F67 HydrophobicContact CB-CZ 4.21Å; K65-F67 HydrophobicContact CG-CD1 4.37Å; K65-F67 HydrophobicContact CG-CD2 4.2Å; K65-F67 HydrophobicContact CG-CE1 3.78Å; K65-F67 HydrophobicContact CG-CE2 3.6Å; K65-F67 HydrophobicContact CG-CZ 3.37Å
66N93.1Very high91.7Very high84 Ų8457.1 Ų57.145%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-98.8126.5172.7-60.1-55000108.5S10S10-N66 WeakPolarHBondContact CB-OD1 3.39Å; S10-N66 PolarHBondContact OG-OD1 2.88Å
67F91.1Very high91.4Very high9 Ų954.6 Ų54.64%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-104.7130.8171.5-55.5-87.3000107.7V8 C9 L11 K65 I70 V76 H79 L80V8-F67 WeakPolarHBondContact CA-O 3.39Å; C9-F67 HydrophobicContact CB-CB 4.33Å; C9-F67 HydrophobicContact CB-CD2 4.37Å; C9-F67 PolarHBondContact N-O 2.82Å; C9-F67 VanDerWaalsContact N-O 3.1Å; C9-F67 PolarHBondContact O-N 2.79Å; L11-F67 HydrophobicContact CB-CE2 3.88Å; L11-F67 HydrophobicContact CD2-CE2 4.31Å; K65-F67 HydrophobicContact CB-CE2 4.09Å; K65-F67 HydrophobicContact CB-CZ 4.21Å; K65-F67 HydrophobicContact CG-CD1 4.37Å; K65-F67 HydrophobicContact CG-CD2 4.2Å; K65-F67 HydrophobicContact CG-CE1 3.78Å; K65-F67 HydrophobicContact CG-CE2 3.6Å; K65-F67 HydrophobicContact CG-CZ 3.37Å; F67-I70 HydrophobicContact CB-CD1 3.94Å; F67-I70 HydrophobicContact CB-CG1 3.67Å; F67-V76 HydrophobicContact CB-CG2 4.3Å; F67-V76 HydrophobicContact CD2-CG1 3.89Å; F67-V76 HydrophobicContact CD2-CG2 4.37Å; F67-V76 HydrophobicContact CE1-CG1 4.43Å; F67-V76 HydrophobicContact CE2-CG1 3.7Å; F67-V76 HydrophobicContact CG-CG1 4.32Å; F67-V76 HydrophobicContact CG-CG2 4.25Å; F67-V76 HydrophobicContact CZ-CG1 3.98Å; F67-H79 HydrophobicContact CD1-CB 4.1Å; F67-H79 AromaticContact CD1-CD2 3.88Å; F67-H79 HydrophobicContact CE1-CB 3.64Å; F67-L80 HydrophobicContact CZ-CD2 4.06Å; F67-L80 HydrophobicContact CZ-CG 4.29Å
68S86.4Confident91.3Very high85 Ų8558.5 Ų58.559%0.59432%0.323SS*.EExtended strand (participates in β ladder)trans-134138-172.860.70000110.9I70S68-I70 VanDerWaalsContact C-N 3.34Å
69G81.9Confident91.2Very high39 Ų3958.8 Ų58.840%0.40232%0.32SS..EExtended strand (participates in β ladder)trans79.123.2-173.800000112.7F71G69-F71 VanDerWaalsContact O-CD2 3.3Å; G69-F71 WeakPolarHBondContact O-CD2 3.37Å; G69-F71 WeakPolarHBondContact O-CE2 3.48Å
70I83.3Confident91.1Very high7 Ų756.3 Ų56.34%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-75.2135173.8-60.7-61.3000108.7C6 F7 F67 S68 D72 D75 V76C6-I70 WeakPolarHBondContact CA-O 3.12Å; F7-I70 PolarHBondContact N-O 3.19Å; F67-I70 HydrophobicContact CB-CD1 3.94Å; F67-I70 HydrophobicContact CB-CG1 3.67Å; S68-I70 VanDerWaalsContact C-N 3.34Å; I70-D72 VanDerWaalsContact CG2-O 3.25Å; I70-D72 WeakPolarHBondContact CG2-O 3.49Å; I70-D75 HydrophobicContact CD1-CB 3.69Å; I70-D75 HydrophobicContact CG2-CB 4.15Å; I70-V76 HydrophobicContact CD1-CG2 4.08Å; I70-V76 HydrophobicContact CG1-CG2 4.07Å; I70-V76 HydrophobicContact CG2-CG2 4.06Å
71F82.9Confident91Very high114 Ų11452.8 Ų52.850%0.530%0.3SS..SBendtrans-114.6-25.6176.5-65.6-85.7000112T4 C6 G69 D75T4-F71 HydrophobicContact CG2-CB 4.38Å; T4-F71 HydrophobicContact CG2-CD1 3.69Å; T4-F71 HydrophobicContact CG2-CE1 4.5Å; T4-F71 HydrophobicContact CG2-CG 4.49Å; C6-F71 WeakPolarHBondContact SG-CE1 3.32Å; C6-F71 WeakPolarHBondContact SG-CZ 3.4Å; G69-F71 VanDerWaalsContact O-CD2 3.3Å; G69-F71 WeakPolarHBondContact O-CD2 3.37Å; G69-F71 WeakPolarHBondContact O-CE2 3.48Å; F71-D75 PolarHBondContact N-OD2 2.93Å
72D85.1Confident90.9Very high88 Ų8856.9 Ų56.947%0.47133%0.334SS..SBendtrans-130.1132.3175.7-168.9-35.3000109.1I70 A74 D75I70-D72 VanDerWaalsContact CG2-O 3.25Å; I70-D72 WeakPolarHBondContact CG2-O 3.49Å; D72-A74 HydrophobicContact CB-CB 4.43Å; D72-A74 PolarHBondContact O-N 2.92Å; D72-A74 VanDerWaalsContact OD1-CB 3.26Å; D72-A74 WeakPolarHBondContact OD1-CB 3.44Å; D72-A74 PolarHBondContact OD1-N 2.87Å; D72-D75 PolarHBondContact N-OD2 2.85Å; D72-D75 WeakPolarHBondContact O-CB 3.44Å; D72-D75 VanDerWaalsContact O-CG 3.27Å; D72-D75 PolarHBondContact O-N 3.03Å
73P82.9Confident90.8Very high82 Ų8256.3 Ų56.353%0.53233%0.33SS..Hα-helixtrans-51.5-24.7170.1-28.436.6000114.5D75 V76 A77P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 PolarHBondContact O-N 3.39Å; P73-V76 WeakPolarHBondContact O-CB 3.42Å; P73-V76 PolarHBondContact O-N 2.8Å; P73-A77 PolarHBondContact O-N 2.69Å
74A89.1Confident90.7Very high46 Ų4659.5 Ų59.538%0.3835%0.349SS..Hα-helixtrans-59.2-34.7170.500000113D72 V76 A77 D78D72-A74 HydrophobicContact CB-CB 4.43Å; D72-A74 PolarHBondContact O-N 2.92Å; D72-A74 VanDerWaalsContact OD1-CB 3.26Å; D72-A74 WeakPolarHBondContact OD1-CB 3.44Å; D72-A74 PolarHBondContact OD1-N 2.87Å; A74-V76 PolarHBondContact O-N 2.93Å; A74-A77 WeakPolarHBondContact O-CA 3.23Å; A74-A77 WeakPolarHBondContact O-CB 3.46Å; A74-A77 PolarHBondContact O-N 3.39Å; A74-D78 PolarHBondContact O-N 3.39Å
75D90.7Very high90.8Very high51 Ų5156.9 Ų56.927%0.27333%0.333SS..Hα-helixtrans-55.2-40.8176.2-61.1-39.4000110.6I70 F71 D72 P73 A77 D78 H79I70-D75 HydrophobicContact CD1-CB 3.69Å; I70-D75 HydrophobicContact CG2-CB 4.15Å; F71-D75 PolarHBondContact N-OD2 2.93Å; D72-D75 PolarHBondContact N-OD2 2.85Å; D72-D75 WeakPolarHBondContact O-CB 3.44Å; D72-D75 VanDerWaalsContact O-CG 3.27Å; D72-D75 PolarHBondContact O-N 3.03Å; P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 PolarHBondContact O-N 3.39Å; D75-A77 VanDerWaalsContact C-N 3.35Å; D75-D78 PolarHBondContact O-N 3.01Å; D75-H79 PolarHBondContact O-N 2.8Å; D75-H79 PolarHBondContact O-ND1 3.21Å
76V91.9Very high91Very high8 Ų854.1 Ų54.15%0.04832%0.322CS..Hα-helixtrans-65.5-40.3178179.80000110.7C9 F67 I70 P73 A74 H79 L80C9-V76 HydrophobicContact CB-CG2 4.05Å; F67-V76 HydrophobicContact CB-CG2 4.3Å; F67-V76 HydrophobicContact CD2-CG1 3.89Å; F67-V76 HydrophobicContact CD2-CG2 4.37Å; F67-V76 HydrophobicContact CE1-CG1 4.43Å; F67-V76 HydrophobicContact CE2-CG1 3.7Å; F67-V76 HydrophobicContact CG-CG1 4.32Å; F67-V76 HydrophobicContact CG-CG2 4.25Å; F67-V76 HydrophobicContact CZ-CG1 3.98Å; I70-V76 HydrophobicContact CD1-CG2 4.08Å; I70-V76 HydrophobicContact CG1-CG2 4.07Å; I70-V76 HydrophobicContact CG2-CG2 4.06Å; P73-V76 WeakPolarHBondContact O-CB 3.42Å; P73-V76 PolarHBondContact O-N 2.8Å; A74-V76 PolarHBondContact O-N 2.93Å; V76-H79 PolarHBondContact O-N 2.91Å; V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 VanDerWaalsContact O-CG 3.29Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.92Å
77A92.3Very high91.2Very high20 Ų2050.1 Ų50.117%0.16530%0.301CS..Hα-helixtrans-65-40.8177.600000111.6P73 A74 D75 L80 E81P73-A77 PolarHBondContact O-N 2.69Å; A74-A77 WeakPolarHBondContact O-CA 3.23Å; A74-A77 WeakPolarHBondContact O-CB 3.46Å; A74-A77 PolarHBondContact O-N 3.39Å; D75-A77 VanDerWaalsContact C-N 3.35Å; A77-L80 CarbonylContact O-C 3.6Å; A77-L80 PolarHBondContact O-N 2.93Å; A77-E81 PolarHBondContact O-N 2.86Å
78D93.4Very high91.6Very high99 Ų9951.1 Ų51.153%0.52931%0.306SS..Hα-helixtrans-65.9-39175.4-69.4-9.5000112A74 D75 L80 E81 A82A74-D78 PolarHBondContact O-N 3.39Å; D75-D78 PolarHBondContact O-N 3.01Å; D78-L80 PolarHBondContact O-N 2.85Å; D78-E81 PolarHBondContact O-N 2.85Å; D78-A82 WeakPolarHBondContact O-CB 3.36Å; D78-A82 PolarHBondContact O-N 2.85Å
79H93.1Very high92.1Very high103 Ų10347.1 Ų47.148%0.47728%0.278SS..Hα-helixtrans-65.5-27.9173.8-73.748.2000112.8F67 D75 V76F67-H79 HydrophobicContact CD1-CB 4.1Å; F67-H79 AromaticContact CD1-CD2 3.88Å; F67-H79 HydrophobicContact CE1-CB 3.64Å; D75-H79 PolarHBondContact O-N 2.8Å; D75-H79 PolarHBondContact O-ND1 3.21Å; V76-H79 PolarHBondContact O-N 2.91Å
80L94.6Very high92.9Very high5 Ų545.9 Ų45.93%0.02626%0.262CS..Hα-helixtrans-83.1-26.9174.5-69.3174000112.8L11 M40 F67 V76 A77 D78 S107 R108 L111 Y112L11-L80 HydrophobicContact CD2-CD1 3.97Å; L11-L80 HydrophobicContact CD2-CD2 3.84Å; L11-L80 HydrophobicContact CD2-CG 4.49Å; M40-L80 HydrophobicContact CG-CD2 4.19Å; M40-L80 HydrophobicContact SD-CD2 4.32Å; F67-L80 HydrophobicContact CZ-CD2 4.06Å; F67-L80 HydrophobicContact CZ-CG 4.29Å; V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 VanDerWaalsContact O-CG 3.29Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.92Å; A77-L80 CarbonylContact O-C 3.6Å; A77-L80 PolarHBondContact O-N 2.93Å; D78-L80 PolarHBondContact O-N 2.85Å; L80-S107 WeakPolarHBondContact O-CB 3.43Å; L80-R108 HydrophobicContact CB-CB 3.96Å; L80-R108 PolarHBondContact O-N 3.07Å; L80-L111 HydrophobicContact CD1-CD1 3.75Å; L80-L111 HydrophobicContact CD2-CD1 3.58Å; L80-L111 HydrophobicContact CG-CD1 4.22Å; L80-Y112 HydrophobicContact CD1-CE2 4.42Å
81E95.1Very high93.6Very high93 Ų9345.7 Ų45.744%0.43526%0.261SS..Hα-helixtrans-69.7-35.4171.9-155.677.1-112.700111.4A77 D78 C106 R108A77-E81 PolarHBondContact O-N 2.86Å; D78-E81 PolarHBondContact O-N 2.85Å; E81-C106 PolarHBondContact OE1-SG 2.89Å; E81-R108 WeakPolarHBondContact OE2-CD 3.22Å; E81-R108 IonicContact OE2-CZ 3.75Å; E81-R108 IonicContact OE2-NE 3.46Å; E81-R108 IonicContact OE2-NH1 2.67Å; E81-R108 PolarHBondContact OE2-NH1 3.05Å
82A94.5Very high94.1Very high90 Ų9043.8 Ų43.874%0.74426%0.255SS*.SBendtrans-83.2-3.8178.700000114.9D78D78-A82 WeakPolarHBondContact O-CB 3.36Å; D78-A82 PolarHBondContact O-N 2.85Å
83D95.6Very high94.5Very high33 Ų3340.7 Ų40.718%0.17624%0.239CC..  trans-108.2141.3178.3-176.790.9000110.5M40 G41 S107M40-D83 WeakPolarHBondContact CA-OD1 3.42Å; M40-D83 VanDerWaalsContact CA-OD2 3.22Å; M40-D83 WeakPolarHBondContact CA-OD2 3.3Å; M40-D83 PolarHBondContact N-OD2 2.97Å; G41-D83 PolarHBondContact N-OD1 3.17Å; D83-S107 VanDerWaalsContact O-CB 3.25Å; D83-S107 WeakPolarHBondContact O-CB 3.4Å; D83-S107 PolarHBondContact O-N 2.85Å; D83-S107 PolarHBondContact O-OG 2.79Å; D83-S107 WeakPolarHBondContact OD2-CB 3.08Å; D83-S107 PolarHBondContact OD2-OG 2.84Å
84T96.9Very high94.7Very high67 Ų6741.1 Ų41.141%0.41124%0.242SC..EExtended strand (participates in β ladder)trans-109.4127.4179.3-49.40000110.5V86 E104 E105T84-V86 HydrophobicContact CG2-CG2 3.92Å; T84-E104 HydrophobicContact CG2-CB 4.22Å; T84-E105 WeakPolarHBondContact CG2-O 3.34Å
85T97.9Very high94.5Very high1 Ų145.2 Ų45.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-82.1123167.7-76.20000109.1R38 I39 F87 E104 E105 S107 F110R38-T85 WeakPolarHBondContact O-CA 3.49Å; I39-T85 HydrophobicContact CD1-CG2 4.17Å; I39-T85 HydrophobicContact CG1-CG2 3.78Å; T85-F87 HydrophobicContact CG2-CD1 4.12Å; T85-F87 HydrophobicContact CG2-CE1 3.74Å; T85-E104 WeakPolarHBondContact O-CA 3.4Å; T85-E105 PolarHBondContact N-O 2.65Å; T85-E105 PolarHBondContact O-N 3.38Å; T85-S107 PolarHBondContact N-OG 2.87Å; T85-S107 PolarHBondContact OG1-OG 2.83Å; T85-F110 HydrophobicContact CG2-CB 4.35Å; T85-F110 HydrophobicContact CG2-CD1 4.01Å; T85-F110 HydrophobicContact CG2-CD2 3.55Å; T85-F110 HydrophobicContact CG2-CE1 4.23Å; T85-F110 HydrophobicContact CG2-CE2 3.77Å; T85-F110 HydrophobicContact CG2-CG 3.68Å; T85-F110 HydrophobicContact CG2-CZ 4.12Å
86V98.5Very high93.9Very high12 Ų1251.1 Ų51.17%0.07329%0.291CS..EExtended strand (participates in β ladder)trans-125.5125.4-176-175.20000110.2V37 R38 T84 E88 A103 E104V37-V86 WeakPolarHBondContact CA-O 3.48Å; R38-V86 HydrophobicContact CB-CB 4.23Å; R38-V86 PolarHBondContact N-O 2.93Å; R38-V86 PolarHBondContact O-N 2.89Å; T84-V86 HydrophobicContact CG2-CG2 3.92Å; V86-E88 HydrophobicContact CG1-CG 3.88Å; V86-A103 WeakPolarHBondContact CA-O 3.41Å; V86-E104 HydrophobicContact CB-CG 4.45Å; V86-E104 HydrophobicContact CG1-CG 4.04Å; V86-E104 HydrophobicContact CG2-CG 4.13Å
87F98.5Very high94Very high0 Ų051.8 Ų51.80%030%0.3CS..EExtended strand (participates in β ladder)trans-110.5127.8171.2-70.512.3000108.8F17 M35 S36 V37 I39 T85 T102 A103 F110 M128 M130 V143 F145F17-F87 HydrophobicContact CE2-CD2 4.27Å; F17-F87 HydrophobicContact CE2-CE2 4.37Å; M35-F87 HydrophobicContact SD-CB 3.87Å; S36-F87 CarbonylContact O-C 3.49Å; S36-F87 WeakPolarHBondContact O-CA 3.19Å; V37-F87 HydrophobicContact CB-CD1 4.36Å; V37-F87 HydrophobicContact CG1-CD1 3.78Å; V37-F87 HydrophobicContact CG1-CE1 3.62Å; V37-F87 HydrophobicContact CG2-CD1 4.08Å; V37-F87 HydrophobicContact CG2-CE1 4.35Å; V37-F87 HydrophobicContact CG2-CG 4.42Å; I39-F87 HydrophobicContact CD1-CE1 4.24Å; T85-F87 HydrophobicContact CG2-CD1 4.12Å; T85-F87 HydrophobicContact CG2-CE1 3.74Å; F87-T102 CarbonylContact O-C 3.56Å; F87-T102 VanDerWaalsContact O-CA 3.23Å; F87-T102 WeakPolarHBondContact O-CA 3.17Å; F87-A103 HydrophobicContact CB-CB 4.44Å; F87-A103 PolarHBondContact N-O 3.2Å; F87-A103 PolarHBondContact O-N 2.76Å; F87-F110 AromaticContact CE1-CE2 3.92Å; F87-F110 HydrophobicContact CE1-CE2 3.92Å; F87-F110 HydrophobicContact CE1-CZ 4.04Å; F87-F110 HydrophobicContact CE2-CE2 4.4Å; F87-F110 AromaticContact CZ-CE2 3.53Å; F87-F110 HydrophobicContact CZ-CE2 3.53Å; F87-F110 AromaticContact CZ-CZ 3.71Å; F87-F110 HydrophobicContact CZ-CZ 3.71Å; F87-M128 HydrophobicContact CB-CE 4.47Å; F87-M128 HydrophobicContact CD2-CE 3.52Å; F87-M128 HydrophobicContact CE2-CE 3.78Å; F87-M128 HydrophobicContact CG-CE 4.01Å; F87-M128 HydrophobicContact CZ-CE 4.46Å; F87-M130 HydrophobicContact CB-CE 4.29Å; F87-M130 WeakPolarHBondContact O-CE 3.29Å; F87-V143 HydrophobicContact CD2-CG1 4.21Å; F87-V143 HydrophobicContact CD2-CG2 4.29Å; F87-V143 HydrophobicContact CE2-CG2 4.38Å; F87-F145 HydrophobicContact CE2-CD1 4.1Å; F87-F145 HydrophobicContact CE2-CE1 4.04Å; F87-F145 HydrophobicContact CE2-CE2 4.47Å; F87-F145 HydrophobicContact CE2-CG 4.34Å; F87-F145 HydrophobicContact CE2-CZ 4.23Å; F87-F145 HydrophobicContact CZ-CD2 4.48Å; F87-F145 HydrophobicContact CZ-CE2 4.34Å; F87-F145 HydrophobicContact CZ-CZ 4.43Å
88E98.4Very high94.2Very high31 Ų3152.4 Ų52.415%0.14530%0.3CS..EExtended strand (participates in β ladder)trans-124.3119.4-179.7-43.3162.1116.700109.9M35 S36 V86 I90 I99 A101 T102M35-E88 WeakPolarHBondContact CA-O 3.21Å; M35-E88 PolarHBondContact SD-N 2.96Å; S36-E88 VanDerWaalsContact CB-OE2 3.29Å; S36-E88 WeakPolarHBondContact CB-OE2 2.86Å; S36-E88 PolarHBondContact N-O 2.99Å; S36-E88 PolarHBondContact O-N 2.94Å; S36-E88 PolarHBondContact OG-OE2 2.87Å; V86-E88 HydrophobicContact CG1-CG 3.88Å; E88-I90 HydrophobicContact CB-CD1 4.06Å; E88-I90 HydrophobicContact CB-CG1 3.98Å; E88-I90 PolarHBondContact O-N 3.32Å; E88-I99 HydrophobicContact CB-CG2 4.45Å; E88-A101 WeakPolarHBondContact CA-O 3.34Å; E88-T102 HydrophobicContact CG-CG2 4.27Å
89L98.3Very high94.4Very high0 Ų051 Ų510%029%0.292CS..EExtended strand (participates in β ladder)trans-83.4111.6172.2-17368.9000108.3V20 I33 M35 F53 L55 L100 A101 M130 F136 P141V20-L89 HydrophobicContact CG1-CD2 4.38Å; V20-L89 HydrophobicContact CG2-CD1 4.27Å; I33-L89 HydrophobicContact CG2-CD1 3.48Å; I33-L89 VanDerWaalsContact CG2-CD1 3.48Å; I33-L89 HydrophobicContact CG2-CG 3.91Å; M35-L89 HydrophobicContact CE-CB 4.16Å; M35-L89 HydrophobicContact CE-CD1 4.01Å; F53-L89 HydrophobicContact CZ-CD2 4.25Å; L55-L89 HydrophobicContact CD1-CD1 3.97Å; L89-L100 HydrophobicContact CB-CB 4.49Å; L89-L100 HydrophobicContact CD2-CB 4.33Å; L89-L100 HydrophobicContact CD2-CD1 4.46Å; L89-L100 HydrophobicContact CG-CB 4.4Å; L89-L100 WeakPolarHBondContact O-CB 3.27Å; L89-L100 PolarHBondContact O-N 2.88Å; L89-A101 HydrophobicContact CB-CB 4.36Å; L89-A101 PolarHBondContact N-O 3.35Å; L89-M130 HydrophobicContact CB-CE 4.1Å; L89-M130 HydrophobicContact CB-SD 4.26Å; L89-F136 HydrophobicContact CD2-CE2 4.44Å; L89-P141 HydrophobicContact CD2-CG 4.29Å
90I98Very high94.6Very high13 Ų1346.2 Ų46.27%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-119.6131.9-171.5-56.4176.8000110.4I33 Y34 E88 D98 I99I33-I90 VanDerWaalsContact CA-O 3.31Å; I33-I90 WeakPolarHBondContact CA-O 3.31Å; I33-I90 WeakPolarHBondContact CG2-O 3.12Å; Y34-I90 HydrophobicContact CD1-CB 4.29Å; Y34-I90 HydrophobicContact CE1-CB 3.73Å; Y34-I90 HydrophobicContact CE1-CG2 3.65Å; Y34-I90 HydrophobicContact CE2-CB 4.24Å; Y34-I90 HydrophobicContact CE2-CD1 4.11Å; Y34-I90 PolarHBondContact N-O 3.1Å; Y34-I90 PolarHBondContact O-N 3.1Å; E88-I90 HydrophobicContact CB-CD1 4.06Å; E88-I90 HydrophobicContact CB-CG1 3.98Å; E88-I90 PolarHBondContact O-N 3.32Å; I90-D98 WeakPolarHBondContact CA-O 3.41Å; I90-I99 HydrophobicContact CG1-CG1 4.26Å
91Q97.3Very high94.8Very high4 Ų446 Ų462%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-97.7128.3169.5-174.7164.838.100110.1K29 Y31 I33 V93 G97 D98 L100K29-Q91 PolarHBondContact O-NE2 3.17Å; Y31-Q91 PolarHBondContact O-NE2 3.33Å; I33-Q91 HydrophobicContact CG1-CB 4.05Å; I33-Q91 HydrophobicContact CG1-CG 4.02Å; Q91-V93 HydrophobicContact CB-CG2 4.38Å; Q91-V93 HydrophobicContact CG-CG2 4.04Å; Q91-V93 PolarHBondContact O-N 3.4Å; Q91-G97 CarbonylContact O-C 3.56Å; Q91-G97 WeakPolarHBondContact O-CA 3.25Å; Q91-D98 PolarHBondContact N-O 3.22Å; Q91-D98 PolarHBondContact O-N 3.27Å; Q91-L100 HydrophobicContact CB-CD1 3.94Å; Q91-L100 HydrophobicContact CB-CD2 4.46Å; Q91-L100 HydrophobicContact CB-CG 4.19Å
92L94.9Very high94.9Very high74 Ų7443 Ų4339%0.38726%0.257SS..  trans-72.663.4-177.9-77179.9000113.4Y31 G32 Y34 C48 P94Y31-L92 VanDerWaalsContact CB-O 3.3Å; Y31-L92 WeakPolarHBondContact CB-O 3.47Å; Y31-L92 WeakPolarHBondContact CD1-O 3.45Å; Y31-L92 VanDerWaalsContact CG-O 3.32Å; G32-L92 PolarHBondContact O-N 2.88Å; Y34-L92 HydrophobicContact CD1-CD1 4.47Å; Y34-L92 HydrophobicContact CD1-CD2 4.14Å; Y34-L92 HydrophobicContact CD1-CG 3.9Å; Y34-L92 HydrophobicContact CE1-CD2 3.47Å; Y34-L92 VanDerWaalsContact CE1-CD2 3.47Å; Y34-L92 HydrophobicContact CE1-CG 3.72Å; C48-L92 HydrophobicContact CB-CD1 4.41Å; C48-L92 WeakPolarHBondContact SG-CD1 3.36Å; L92-P94 WeakPolarHBondContact O-CD 3.45Å
93V91.9Very high95.1Very high22 Ų2238.8 Ų38.813%0.13322%0.222CC..  trans-81.6116.6168-168.10000108.1K29 Y31 Q91 G97 D98K29-V93 HydrophobicContact CD-CG1 4.28Å; K29-V93 HydrophobicContact CD-CG2 3.53Å; Y31-V93 HydrophobicContact CD2-CB 4.3Å; Y31-V93 HydrophobicContact CD2-CG1 4.29Å; Y31-V93 HydrophobicContact CD2-CG2 3.92Å; Y31-V93 HydrophobicContact CE2-CG1 4.11Å; Q91-V93 HydrophobicContact CB-CG2 4.38Å; Q91-V93 HydrophobicContact CG-CG2 4.04Å; Q91-V93 PolarHBondContact O-N 3.4Å; V93-G97 WeakPolarHBondContact O-CA 3.46Å; V93-G97 PolarHBondContact O-N 3.29Å; V93-D98 HydrophobicContact CG2-CB 4.25Å
94P87.7Confident95.2Very high92 Ų9242.9 Ų42.960%0.59724%0.24SC*.THydrogen-bonded Turntrans-59.7145.9179.9-24.735.2000112.3Y31 L92Y31-P94 HydrophobicContact CE1-CG 4.47Å; L92-P94 WeakPolarHBondContact O-CD 3.45Å
95P85.9Confident95.1Very high131 Ų13142 Ų4285%0.85123%0.232SC*.THydrogen-bonded Turncis-84.1-35.15.630.7-33.6000115.4
96E78.3Confident95.1Very high175 Ų17543.5 Ų43.582%0.81824%0.242SC*.THydrogen-bonded Turntrans-110.3-23.2-166.6-67.8179.2176.300114.7
97G93.1Very high95Very high23 Ų2342.9 Ų42.924%0.23724%0.238CC..  trans104.2152.5-176.800000114.1Q91 V93Q91-G97 CarbonylContact O-C 3.56Å; Q91-G97 WeakPolarHBondContact O-CA 3.25Å; V93-G97 WeakPolarHBondContact O-CA 3.46Å; V93-G97 PolarHBondContact O-N 3.29Å
98D95.7Very high94.8Very high33 Ų3347.4 Ų47.418%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-92.7126.1173.9-71-9000109.8K29 I90 Q91 V93 L100 L135K29-D98 IonicContact NZ-OD1 2.79Å; K29-D98 IonicContact NZ-OD2 3.57Å; K29-D98 PolarHBondContact NZ-OD2 3.12Å; I90-D98 WeakPolarHBondContact CA-O 3.41Å; Q91-D98 PolarHBondContact N-O 3.22Å; Q91-D98 PolarHBondContact O-N 3.27Å; V93-D98 HydrophobicContact CG2-CB 4.25Å; D98-L100 HydrophobicContact CB-CD2 4.35Å; D98-L100 PolarHBondContact O-N 3.14Å; D98-L135 HydrophobicContact CB-CD1 3.86Å
99I97.5Very high94.5Very high68 Ų6849.1 Ų49.135%0.34927%0.268SS..EExtended strand (participates in β ladder)trans-75.2114.4166.3-55177.1000108.3E88 I90 T102 T133E88-I99 HydrophobicContact CB-CG2 4.45Å; I90-I99 HydrophobicContact CG1-CG1 4.26Å; I99-T102 HydrophobicContact CG2-CG2 3.68Å; I99-T133 HydrophobicContact CG2-CG2 4.24Å; I99-T133 WeakPolarHBondContact O-CG2 3.48Å; I99-T133 PolarHBondContact O-OG1 3.02Å
100L97.8Very high94.2Very high3 Ų349.1 Ų49.12%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-88-39.1-178.6-64.5-175.9000112.4L27 I33 L89 Q91 D98 T133 L135 F136L27-L100 HydrophobicContact CD1-CD1 4.02Å; I33-L100 HydrophobicContact CD1-CD1 4.01Å; L89-L100 HydrophobicContact CB-CB 4.49Å; L89-L100 HydrophobicContact CD2-CB 4.33Å; L89-L100 HydrophobicContact CD2-CD1 4.46Å; L89-L100 HydrophobicContact CG-CB 4.4Å; L89-L100 WeakPolarHBondContact O-CB 3.27Å; L89-L100 PolarHBondContact O-N 2.88Å; Q91-L100 HydrophobicContact CB-CD1 3.94Å; Q91-L100 HydrophobicContact CB-CD2 4.46Å; Q91-L100 HydrophobicContact CB-CG 4.19Å; D98-L100 HydrophobicContact CB-CD2 4.35Å; D98-L100 PolarHBondContact O-N 3.14Å; L100-T133 PolarHBondContact O-N 2.97Å; L100-T133 PolarHBondContact O-OG1 2.84Å; L100-L135 HydrophobicContact CD2-CB 4.48Å; L100-F136 HydrophobicContact CB-CB 4.26Å; L100-F136 HydrophobicContact CB-CD2 3.73Å; L100-F136 HydrophobicContact CB-CE2 4.49Å; L100-F136 HydrophobicContact CB-CG 4.35Å; L100-F136 HydrophobicContact CD1-CD2 3.99Å; L100-F136 HydrophobicContact CD1-CE2 4.29Å; L100-F136 HydrophobicContact CD2-CD2 4.29Å; L100-F136 HydrophobicContact CG-CD2 4.22Å; L100-F136 WeakPolarHBondContact O-CB 3.47Å
101A98.5Very high93.9Very high0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-157.3149.3177.300000110.4E88 L89 M130 N131 P141E88-A101 WeakPolarHBondContact CA-O 3.34Å; L89-A101 HydrophobicContact CB-CB 4.36Å; L89-A101 PolarHBondContact N-O 3.35Å; A101-M130 HydrophobicContact CB-CB 3.76Å; A101-M130 HydrophobicContact CB-CE 4.22Å; A101-M130 HydrophobicContact CB-SD 4.26Å; A101-M130 WeakPolarHBondContact O-CE 3.49Å; A101-N131 CarbonylContact C-O 3.55Å; A101-N131 WeakPolarHBondContact CA-O 3.48Å; A101-N131 WeakPolarHBondContact CB-O 3.35Å; A101-P141 HydrophobicContact CB-CG 3.61Å
102T98.6Very high93.5Very high30 Ų3053.7 Ų53.718%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-120.5156.2171.864.70000110.9F87 E88 I99 M130 N131F87-T102 CarbonylContact O-C 3.56Å; F87-T102 VanDerWaalsContact O-CA 3.23Å; F87-T102 WeakPolarHBondContact O-CA 3.17Å; E88-T102 HydrophobicContact CG-CG2 4.27Å; I99-T102 HydrophobicContact CG2-CG2 3.68Å; T102-M130 CarbonylContact O-C 3.59Å; T102-M130 WeakPolarHBondContact O-CA 3.42Å; T102-M130 WeakPolarHBondContact O-CB 3.33Å; T102-N131 PolarHBondContact N-O 2.94Å; T102-N131 PolarHBondContact O-N 2.94Å
103A98.1Very high93Very high3 Ų352.6 Ų52.63%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-141.2134.6167.300000108.9V86 F87 M128 M130V86-A103 WeakPolarHBondContact CA-O 3.41Å; F87-A103 HydrophobicContact CB-CB 4.44Å; F87-A103 PolarHBondContact N-O 3.2Å; F87-A103 PolarHBondContact O-N 2.76Å; A103-M128 HydrophobicContact CB-CE 3.49Å; A103-M128 VanDerWaalsContact CB-CE 3.49Å; A103-M128 HydrophobicContact CB-CG 4.04Å; A103-M128 HydrophobicContact CB-SD 3.68Å; A103-M130 HydrophobicContact CB-CB 4.25Å; A103-M130 HydrophobicContact CB-CE 4.25Å; A103-M130 HydrophobicContact CB-CG 3.99Å
104E97.4Very high92.1Very high118 Ų11854.4 Ų54.455%0.55131%0.305SS*.EExtended strand (participates in β ladder)trans-135.4123.7-167-61.5-177.7-163.600109.4T84 T85 V86T84-E104 HydrophobicContact CG2-CB 4.22Å; T85-E104 WeakPolarHBondContact O-CA 3.4Å; V86-E104 HydrophobicContact CB-CG 4.45Å; V86-E104 HydrophobicContact CG1-CG 4.04Å; V86-E104 HydrophobicContact CG2-CG 4.13Å
105E95.8Very high91.1Very high49 Ų4956.6 Ų56.623%0.22932%0.32CS..EExtended strand (participates in β ladder)trans-128.9150.3173.7-74.1-172.7161.800108.9T84 T85 S107 F110 R126 M128T84-E105 WeakPolarHBondContact CG2-O 3.34Å; T85-E105 PolarHBondContact N-O 2.65Å; T85-E105 PolarHBondContact O-N 3.38Å; E105-S107 PolarHBondContact O-N 2.71Å; E105-F110 HydrophobicContact CB-CB 4.07Å; E105-F110 WeakPolarHBondContact OE2-CA 3.4Å; E105-F110 WeakPolarHBondContact OE2-CD2 3.31Å; E105-R126 IonicContact OE1-NH2 3.87Å; E105-R126 PolarHBondContact OE1-NH2 2.93Å; E105-R126 IonicContact OE2-NH2 3.02Å; E105-R126 PolarHBondContact OE2-NH2 2.92Å; E105-M128 HydrophobicContact CG-SD 3.84Å
106C96.3Very high89.9Confident32 Ų3253.8 Ų53.822%0.21630%0.303CS..EExtended strand (participates in β ladder)trans-56132.9163.9164.10000108.7E81 R108 T109 F110E81-C106 PolarHBondContact OE1-SG 2.89Å; C106-R108 PolarHBondContact O-N 3.13Å; C106-R108 PolarHBondContact SG-N 3.41Å; C106-T109 HydrophobicContact CB-CG2 4.27Å; C106-T109 PolarHBondContact O-N 2.83Å; C106-T109 VanDerWaalsContact O-N 3.09Å; C106-T109 PolarHBondContact O-OG1 2.98Å; C106-F110 WeakPolarHBondContact O-CB 3.44Å; C106-F110 PolarHBondContact O-N 2.83Å
107S96.3Very high88.8Confident0 Ų054.1 Ų54.10%031%0.31CS..Hα-helixtrans-62.1-32.1-176-80.90000112L80 D83 T85 E105 L111L80-S107 WeakPolarHBondContact O-CB 3.43Å; D83-S107 VanDerWaalsContact O-CB 3.25Å; D83-S107 WeakPolarHBondContact O-CB 3.4Å; D83-S107 PolarHBondContact O-N 2.85Å; D83-S107 PolarHBondContact O-OG 2.79Å; D83-S107 WeakPolarHBondContact OD2-CB 3.08Å; D83-S107 PolarHBondContact OD2-OG 2.84Å; T85-S107 PolarHBondContact N-OG 2.87Å; T85-S107 PolarHBondContact OG1-OG 2.83Å; E105-S107 PolarHBondContact O-N 2.71Å; S107-L111 VanDerWaalsContact O-CB 3.31Å; S107-L111 WeakPolarHBondContact O-CB 3.48Å; S107-L111 VanDerWaalsContact O-CD1 3.29Å; S107-L111 WeakPolarHBondContact O-CD1 3.38Å; S107-L111 WeakPolarHBondContact O-CG 3.27Å; S107-L111 PolarHBondContact O-N 3.03Å
108R94.3Very high86.7Confident94 Ų9458.5 Ų58.536%0.35533%0.332SS..Hα-helixtrans-60.7-50.4171-170.7-171.2-171.8150.76.2112.3L80 E81 C106 F110 L111 Y112L80-R108 HydrophobicContact CB-CB 3.96Å; L80-R108 PolarHBondContact O-N 3.07Å; E81-R108 WeakPolarHBondContact OE2-CD 3.22Å; E81-R108 IonicContact OE2-CZ 3.75Å; E81-R108 IonicContact OE2-NE 3.46Å; E81-R108 IonicContact OE2-NH1 2.67Å; E81-R108 PolarHBondContact OE2-NH1 3.05Å; C106-R108 PolarHBondContact O-N 3.13Å; C106-R108 PolarHBondContact SG-N 3.41Å; R108-F110 VanDerWaalsContact C-N 3.34Å; R108-L111 PolarHBondContact O-N 2.73Å; R108-Y112 PolarHBondContact O-N 3.35Å
109T92Very high84.5Confident67 Ų6760.9 Ų60.941%0.41135%0.348SS..Hα-helixtrans-71.4-29.9-177.8610000112.5C106 Y112 P113C106-T109 HydrophobicContact CB-CG2 4.27Å; C106-T109 PolarHBondContact O-N 2.83Å; C106-T109 VanDerWaalsContact O-N 3.09Å; C106-T109 PolarHBondContact O-OG1 2.98Å; T109-Y112 CarbonylContact O-C 3.43Å; T109-P113 VanDerWaalsContact O-CA 3.28Å; T109-P113 WeakPolarHBondContact O-CA 3.29Å
110F93.9Very high82.3Confident0 Ų063.7 Ų63.70%037%0.368CS..Hα-helixtrans-66.1-43.5172.3176.5-89.3000112.5L13 V15 I39 T85 F87 E105 C106 R108 F145 T147L13-F110 HydrophobicContact CD2-CE1 3.91Å; V15-F110 HydrophobicContact CG2-CE1 4.47Å; V15-F110 HydrophobicContact CG2-CZ 4.37Å; I39-F110 HydrophobicContact CD1-CE1 3.84Å; I39-F110 HydrophobicContact CD1-CZ 4.08Å; T85-F110 HydrophobicContact CG2-CB 4.35Å; T85-F110 HydrophobicContact CG2-CD1 4.01Å; T85-F110 HydrophobicContact CG2-CD2 3.55Å; T85-F110 HydrophobicContact CG2-CE1 4.23Å; T85-F110 HydrophobicContact CG2-CE2 3.77Å; T85-F110 HydrophobicContact CG2-CG 3.68Å; T85-F110 HydrophobicContact CG2-CZ 4.12Å; F87-F110 AromaticContact CE1-CE2 3.92Å; F87-F110 HydrophobicContact CE1-CE2 3.92Å; F87-F110 HydrophobicContact CE1-CZ 4.04Å; F87-F110 HydrophobicContact CE2-CE2 4.4Å; F87-F110 AromaticContact CZ-CE2 3.53Å; F87-F110 HydrophobicContact CZ-CE2 3.53Å; F87-F110 AromaticContact CZ-CZ 3.71Å; F87-F110 HydrophobicContact CZ-CZ 3.71Å; E105-F110 HydrophobicContact CB-CB 4.07Å; E105-F110 WeakPolarHBondContact OE2-CA 3.4Å; E105-F110 WeakPolarHBondContact OE2-CD2 3.31Å; C106-F110 WeakPolarHBondContact O-CB 3.44Å; C106-F110 PolarHBondContact O-N 2.83Å; R108-F110 VanDerWaalsContact C-N 3.34Å; F110-F145 HydrophobicContact CD2-CE2 4.47Å; F110-F145 HydrophobicContact CD2-CZ 4.48Å; F110-F145 HydrophobicContact CE2-CD2 4.48Å; F110-F145 AromaticContact CE2-CE2 3.45Å; F110-F145 HydrophobicContact CE2-CE2 3.45Å; F110-F145 VanDerWaalsContact CE2-CE2 3.45Å; F110-F145 AromaticContact CE2-CZ 3.68Å; F110-F145 HydrophobicContact CE2-CZ 3.68Å; F110-F145 HydrophobicContact CZ-CD2 4.41Å; F110-F145 AromaticContact CZ-CE2 3.7Å; F110-F145 HydrophobicContact CZ-CE2 3.7Å; F110-F145 HydrophobicContact CZ-CZ 4.38Å; F110-T147 HydrophobicContact CE1-CG2 3.85Å; F110-T147 HydrophobicContact CZ-CG2 3.71Å
111L91.1Very high80.3Confident5 Ų572.2 Ų72.23%0.02641%0.408CS..Hα-helixtrans-72.7-40.1179.3-73.5166.4000112.6L11 L13 L80 S107 R108 P113L11-L111 HydrophobicContact CD2-CD1 3.63Å; L13-L111 HydrophobicContact CB-CD2 4.09Å; L13-L111 HydrophobicContact CD1-CD2 3.76Å; L13-L111 HydrophobicContact CD2-CD2 3.83Å; L13-L111 HydrophobicContact CG-CD2 4.08Å; L80-L111 HydrophobicContact CD1-CD1 3.75Å; L80-L111 HydrophobicContact CD2-CD1 3.58Å; L80-L111 HydrophobicContact CG-CD1 4.22Å; S107-L111 VanDerWaalsContact O-CB 3.31Å; S107-L111 WeakPolarHBondContact O-CB 3.48Å; S107-L111 VanDerWaalsContact O-CD1 3.29Å; S107-L111 WeakPolarHBondContact O-CD1 3.38Å; S107-L111 WeakPolarHBondContact O-CG 3.27Å; S107-L111 PolarHBondContact O-N 3.03Å; R108-L111 PolarHBondContact O-N 2.73Å; L111-P113 VanDerWaalsContact C-CD 3.47Å; L111-P113 WeakPolarHBondContact O-CD 3.41Å
112Y87.5Confident78.1Confident108 Ų10875.6 Ų75.642%0.42444%0.436SS..SBendtrans-126.370.7-175.1-57.1-71.9000110L80 R108 T109 I151L80-Y112 HydrophobicContact CD1-CE2 4.42Å; R108-Y112 PolarHBondContact O-N 3.35Å; T109-Y112 CarbonylContact O-C 3.43Å; Y112-I151 VanDerWaalsContact OH-CD1 3.27Å; Y112-I151 WeakPolarHBondContact OH-CD1 2.9Å
113P84.9Confident76Confident52 Ų5279 Ų7934%0.33846%0.459SS..PPolyproline II helixtrans-67.6148.5179.129.9-36.4000111.1T109 L111T109-P113 VanDerWaalsContact O-CA 3.28Å; T109-P113 WeakPolarHBondContact O-CA 3.29Å; L111-P113 VanDerWaalsContact C-CD 3.47Å; L111-P113 WeakPolarHBondContact O-CD 3.41Å
114G74.5Confident74.7Confident59 Ų5981 Ų8161%0.60848%0.475SS*.PPolyproline II helixtrans-62.6164.5172.700000112.8S116G114-S116 PolarHBondContact O-N 2.79Å; G114-S116 VanDerWaalsContact O-N 3.13Å
115P66.7Low74.1Confident139 Ų13981.1 Ų81.190%0.90347%0.474SS*.PPolyproline II helixtrans-56.6117.7178.7-23.333.6000111.6
116S60.7Low73.8Confident72 Ų7281 Ų8150%0.50347%0.471SS..PPolyproline II helixtrans-83.8131.6174.8-1680000110.4G114 T118G114-S116 PolarHBondContact O-N 2.79Å; G114-S116 VanDerWaalsContact O-N 3.13Å; S116-T118 PolarHBondContact O-N 3.5Å; S116-T118 PolarHBondContact OG-OG1 2.94Å
117L53.3Low73.7Confident182 Ų18283.4 Ų83.495%0.95348%0.482SS*.THydrogen-bonded Turntrans-69.81.7177.2-60.5175.8000113.8
118T50.4Low73.6Confident114 Ų11484.2 Ų84.270%0.69949%0.486SS*.THydrogen-bonded Turntrans-122.2-0.9-160.759.70000116.1S116S116-T118 PolarHBondContact O-N 3.5Å; S116-T118 PolarHBondContact OG-OG1 2.94Å
119T49.1Very low73.7Confident84 Ų8485 Ų8552%0.51550%0.495SS..  trans-133.399.3-169.6500000114.5
120T51.6Low74Confident126 Ų12681.8 Ų81.877%0.77348%0.475SS*.  trans-82127.2159.9-55.30000109.6
121E54.7Low74.2Confident183 Ų18387 Ų8786%0.85550%0.503SS*.SBendtrans56.586.2160.1-66174.8-170.200119.7
122A53.1Low74.5Confident71 Ų7192.8 Ų92.859%0.58753%0.525SS*.SBendtrans-178.9159.9147.600000109.7A124A122-A124 PolarHBondContact O-N 3.34Å; A122-A124 VanDerWaalsContact O-N 3.12Å
123P54.8Low75Confident102 Ų10289.5 Ų89.566%0.66252%0.516SS*.SBendtrans-50.2121.9168.420.4-33.3000110.6K125P123-K125 PolarHBondContact O-N 2.9Å
124A71.3Confident75.5Confident45 Ų4592.6 Ų92.637%0.37254%0.539SS..  trans-38.195.9-151.300000114.6A122 R126 A146A122-A124 PolarHBondContact O-N 3.34Å; A122-A124 VanDerWaalsContact O-N 3.12Å; A124-R126 PolarHBondContact O-N 2.83Å; A124-R126 VanDerWaalsContact O-N 3.14Å; A124-A146 VanDerWaalsContact O-CA 3.27Å; A124-A146 WeakPolarHBondContact O-CA 3.12Å
125K83.5Confident76.3Confident120 Ų12094.4 Ų94.452%0.52253%0.534SS..EExtended strand (participates in β ladder)trans-69.8107.3171.1-174.7-175.1-179.6-177.80108P123 E144P123-K125 PolarHBondContact O-N 2.9Å; K125-E144 WeakPolarHBondContact CE-OE1 3.25Å; K125-E144 IonicContact NZ-OE1 2.75Å; K125-E144 PolarHBondContact NZ-OE1 2.83Å; K125-E144 IonicContact NZ-OE2 3.12Å; K125-E144 PolarHBondContact NZ-OE2 3.01Å
126R90.1Very high77.7Confident46 Ų4687.8 Ų87.817%0.17449%0.491CS..EExtended strand (participates in β ladder)trans-105.6148.7178.3-69.6178.562.763.8-6.1110.2E105 A124 F145E105-R126 IonicContact OE1-NH2 3.87Å; E105-R126 PolarHBondContact OE1-NH2 2.93Å; E105-R126 IonicContact OE2-NH2 3.02Å; E105-R126 PolarHBondContact OE2-NH2 2.92Å; A124-R126 PolarHBondContact O-N 2.83Å; A124-R126 VanDerWaalsContact O-N 3.14Å; R126-F145 HydrophobicContact CB-CD1 4.33Å; R126-F145 HydrophobicContact CB-CD2 4.2Å; R126-F145 HydrophobicContact CB-CE1 3.94Å; R126-F145 HydrophobicContact CB-CE2 3.8Å; R126-F145 HydrophobicContact CB-CG 4.46Å; R126-F145 HydrophobicContact CB-CZ 3.67Å; R126-F145 HydrophobicContact CG-CE2 4.45Å; R126-F145 PolarHBondContact N-O 3.46Å; R126-F145 PolarHBondContact O-N 2.85Å
127D93.2Very high79.3Confident82 Ų8287 Ų8744%0.43948%0.484SS..EExtended strand (participates in β ladder)trans-128.3158.915860.613.1000111K142 V143D127-K142 HydrophobicContact CB-CD 4.01Å; D127-K142 HydrophobicContact CB-CG 4.14Å; D127-K142 WeakPolarHBondContact OD2-CD 3.31Å; D127-K142 VanDerWaalsContact OD2-CE 3.25Å; D127-K142 WeakPolarHBondContact OD2-CE 3.42Å; D127-K142 IonicContact OD2-NZ 2.69Å; D127-K142 PolarHBondContact OD2-NZ 3.37Å; D127-V143 CarbonylContact C-O 3.45Å; D127-V143 WeakPolarHBondContact CA-O 3.43Å; D127-V143 WeakPolarHBondContact CB-O 3.42Å
128M94.4Very high81.2Confident18 Ų1880.7 Ų80.79%0.08946%0.463CS..EExtended strand (participates in β ladder)trans-145.4138.5-179176.4171.554.300108.6F87 A103 E105 K142 V143 F145F87-M128 HydrophobicContact CB-CE 4.47Å; F87-M128 HydrophobicContact CD2-CE 3.52Å; F87-M128 HydrophobicContact CE2-CE 3.78Å; F87-M128 HydrophobicContact CG-CE 4.01Å; F87-M128 HydrophobicContact CZ-CE 4.46Å; A103-M128 HydrophobicContact CB-CE 3.49Å; A103-M128 VanDerWaalsContact CB-CE 3.49Å; A103-M128 HydrophobicContact CB-CG 4.04Å; A103-M128 HydrophobicContact CB-SD 3.68Å; E105-M128 HydrophobicContact CG-SD 3.84Å; M128-K142 WeakPolarHBondContact O-CA 3.44Å; M128-K142 WeakPolarHBondContact O-CG 3.23Å; M128-V143 HydrophobicContact CB-CG1 3.79Å; M128-V143 HydrophobicContact CE-CG1 4.09Å; M128-V143 PolarHBondContact N-O 3.39Å; M128-V143 VanDerWaalsContact O-CG1 3.28Å; M128-V143 WeakPolarHBondContact O-CG1 3.46Å; M128-V143 PolarHBondContact O-N 2.59Å; M128-F145 HydrophobicContact CB-CE1 4.08Å; M128-F145 HydrophobicContact CE-CE1 4.43Å
129M97.1Very high83.3Confident109 Ų10980 Ų8054%0.53745%0.454SS..EExtended strand (participates in β ladder)trans-85.4132.9174.3-168.560.869.700109.2S140 K142M129-S140 WeakPolarHBondContact SD-CB 3.47Å; M129-K142 HydrophobicContact CE-CB 4.17Å; M129-K142 HydrophobicContact CE-CD 4.43Å; M129-K142 HydrophobicContact CE-CG 4.43Å; M129-K142 HydrophobicContact SD-CB 4.2Å
130M98.2Very high85.6Confident0 Ų077.7 Ų77.70%044%0.441CS..  trans-93.3143.8178.8-49.2-172.573.900111.6M35 F87 L89 A101 T102 A103 R132 S140 P141 V143M35-M130 HydrophobicContact CE-CE 3.78Å; M35-M130 HydrophobicContact CE-SD 3.79Å; M35-M130 HydrophobicContact SD-CE 4.1Å; F87-M130 HydrophobicContact CB-CE 4.29Å; F87-M130 WeakPolarHBondContact O-CE 3.29Å; L89-M130 HydrophobicContact CB-CE 4.1Å; L89-M130 HydrophobicContact CB-SD 4.26Å; A101-M130 HydrophobicContact CB-CB 3.76Å; A101-M130 HydrophobicContact CB-CE 4.22Å; A101-M130 HydrophobicContact CB-SD 4.26Å; A101-M130 WeakPolarHBondContact O-CE 3.49Å; T102-M130 CarbonylContact O-C 3.59Å; T102-M130 WeakPolarHBondContact O-CA 3.42Å; T102-M130 WeakPolarHBondContact O-CB 3.33Å; A103-M130 HydrophobicContact CB-CB 4.25Å; A103-M130 HydrophobicContact CB-CE 4.25Å; A103-M130 HydrophobicContact CB-CG 3.99Å; M130-R132 PolarHBondContact O-N 3.02Å; M130-S140 WeakPolarHBondContact O-CB 3.39Å; M130-S140 PolarHBondContact O-OG 2.89Å; M130-P141 HydrophobicContact CB-CG 4.03Å; M130-P141 WeakPolarHBondContact CB-O 3.49Å; M130-P141 HydrophobicContact CG-CG 4.42Å; M130-P141 WeakPolarHBondContact CG-O 3.28Å; M130-P141 PolarHBondContact N-O 3.35Å; M130-P141 HydrophobicContact SD-CG 4.27Å; M130-V143 HydrophobicContact CG-CG1 4.26Å
131N98.2Very high87.8Confident111 Ų11171.7 Ų71.759%0.59440%0.404SS*.EExtended strand (participates in β ladder)trans-75.5110.5167.7-66.7-36000108.9A101 T102A101-N131 CarbonylContact C-O 3.55Å; A101-N131 WeakPolarHBondContact CA-O 3.48Å; A101-N131 WeakPolarHBondContact CB-O 3.35Å; T102-N131 PolarHBondContact N-O 2.94Å; T102-N131 PolarHBondContact O-N 2.94Å
132R97.7Very high89.9Confident125 Ų12566.3 Ų66.347%0.47238%0.378SS..EExtended strand (participates in β ladder)trans-73.3142.9178.568.5179.5-174.481.75.9111.2M130 F136 G138M130-R132 PolarHBondContact O-N 3.02Å; R132-F136 HydrophobicContact CB-CB 4.19Å; R132-F136 HydrophobicContact CB-CD1 3.94Å; R132-F136 HydrophobicContact CB-CG 4.45Å; R132-F136 PolarHBondContact NH1-O 3.46Å; R132-G138 WeakPolarHBondContact CD-O 3.34Å; R132-G138 PolarHBondContact NE-O 3.24Å; R132-G138 VanDerWaalsContact NE-O 3.17Å
133T97.3Very high92Very high40 Ų4062.9 Ų62.925%0.24535%0.35CS..  trans-80.7172.3169.970.90000110.6I99 L100 L135 F136I99-T133 HydrophobicContact CG2-CG2 4.24Å; I99-T133 WeakPolarHBondContact O-CG2 3.48Å; I99-T133 PolarHBondContact O-OG1 3.02Å; L100-T133 PolarHBondContact O-N 2.97Å; L100-T133 PolarHBondContact O-OG1 2.84Å; T133-L135 PolarHBondContact O-N 3.26Å; T133-L135 PolarHBondContact OG1-N 3.1Å; T133-F136 PolarHBondContact O-N 3Å
134S95.4Very high94.1Very high117 Ų11759.5 Ų59.582%0.81833%0.326SS*.THydrogen-bonded Turntrans-63.3-17.5172.9530000113.6
135L92.3Very high95.2Very high96 Ų9657.4 Ų57.450%0.50331%0.308SS..THydrogen-bonded Turntrans-79.4-19.1177.9-56.6178.7000112.8D98 L100 T133D98-L135 HydrophobicContact CB-CD1 3.86Å; L100-L135 HydrophobicContact CD2-CB 4.48Å; T133-L135 PolarHBondContact O-N 3.26Å; T133-L135 PolarHBondContact OG1-N 3.1Å
136F95.5Very high95.7Very high1 Ų152.3 Ų52.30%0.00429%0.288CS..SBendtrans-98.3121-176.5-169.6-97000112.2C22 V25 L27 F53 L89 L100 R132 T133 I139 P141C22-F136 HydrophobicContact CB-CZ 4.17Å; V25-F136 HydrophobicContact CG1-CE1 4.29Å; V25-F136 HydrophobicContact CG1-CE2 4.25Å; V25-F136 HydrophobicContact CG1-CZ 3.84Å; V25-F136 HydrophobicContact CG2-CE1 4.43Å; L27-F136 HydrophobicContact CD1-CE2 4.39Å; L27-F136 HydrophobicContact CD2-CD2 3.88Å; L27-F136 HydrophobicContact CD2-CE2 3.86Å; F53-F136 AromaticContact CE2-CE2 3.85Å; F53-F136 HydrophobicContact CE2-CE2 3.85Å; F53-F136 AromaticContact CE2-CZ 3.8Å; F53-F136 HydrophobicContact CE2-CZ 3.8Å; F53-F136 AromaticContact CZ-CE2 3.72Å; F53-F136 HydrophobicContact CZ-CE2 3.72Å; F53-F136 AromaticContact CZ-CZ 3.67Å; F53-F136 HydrophobicContact CZ-CZ 3.67Å; L89-F136 HydrophobicContact CD2-CE2 4.44Å; L100-F136 HydrophobicContact CB-CB 4.26Å; L100-F136 HydrophobicContact CB-CD2 3.73Å; L100-F136 HydrophobicContact CB-CE2 4.49Å; L100-F136 HydrophobicContact CB-CG 4.35Å; L100-F136 HydrophobicContact CD1-CD2 3.99Å; L100-F136 HydrophobicContact CD1-CE2 4.29Å; L100-F136 HydrophobicContact CD2-CD2 4.29Å; L100-F136 HydrophobicContact CG-CD2 4.22Å; L100-F136 WeakPolarHBondContact O-CB 3.47Å; R132-F136 HydrophobicContact CB-CB 4.19Å; R132-F136 HydrophobicContact CB-CD1 3.94Å; R132-F136 HydrophobicContact CB-CG 4.45Å; R132-F136 PolarHBondContact NH1-O 3.46Å; T133-F136 PolarHBondContact O-N 3Å; F136-I139 WeakPolarHBondContact CE1-O 3.25Å; F136-P141 HydrophobicContact CE1-CB 4.3Å; F136-P141 HydrophobicContact CE1-CG 3.98Å; F136-P141 HydrophobicContact CZ-CB 4.15Å; F136-P141 HydrophobicContact CZ-CG 4.08Å
137P94.1Very high95.9Very high55 Ų5550.7 Ų50.736%0.35728%0.284SS..  trans-80.6155.7-177.833.3-34.2000112.3V25 L27V25-P137 HydrophobicContact CG1-CG 4.13Å; V25-P137 VanDerWaalsContact CG2-O 3.31Å; V25-P137 WeakPolarHBondContact CG2-O 3.3Å; L27-P137 HydrophobicContact CD2-CG 4.05Å
138G93.1Very high95.8Very high49 Ų4950.1 Ų50.151%0.50528%0.283SS..SBendtrans79.3-144.3174.200000113.8R132R132-G138 WeakPolarHBondContact CD-O 3.34Å; R132-G138 PolarHBondContact NE-O 3.24Å; R132-G138 VanDerWaalsContact NE-O 3.17Å
139I95.6Very high95.7Very high99 Ų9951 Ų5151%0.50829%0.291SS..SBendtrans-86.2168.4-176.163.9172000111.9C22 P23 F136C22-I139 PolarHBondContact SG-O 3.21Å; C22-I139 VanDerWaalsContact SG-O 3.39Å; P23-I139 HydrophobicContact CG-CD1 4.07Å; F136-I139 WeakPolarHBondContact CE1-O 3.25Å
140S97.3Very high95.5Very high36 Ų3649.3 Ų49.325%0.25229%0.287SS..PPolyproline II helixtrans-60.3136.5172.8-81.30000112.1M129 M130M129-S140 WeakPolarHBondContact SD-CB 3.47Å; M130-S140 WeakPolarHBondContact O-CB 3.39Å; M130-S140 PolarHBondContact O-OG 2.89Å
141P98.2Very high95.1Very high0 Ų052.4 Ų52.40%030%0.302CS..PPolyproline II helixtrans-76.6143.5172.427.6-26.1000110.6V20 C22 L89 A101 M130 F136V20-P141 HydrophobicContact CG1-CB 3.73Å; C22-P141 HydrophobicContact CB-CB 4.01Å; L89-P141 HydrophobicContact CD2-CG 4.29Å; A101-P141 HydrophobicContact CB-CG 3.61Å; M130-P141 HydrophobicContact CB-CG 4.03Å; M130-P141 WeakPolarHBondContact CB-O 3.49Å; M130-P141 HydrophobicContact CG-CG 4.42Å; M130-P141 WeakPolarHBondContact CG-O 3.28Å; M130-P141 PolarHBondContact N-O 3.35Å; M130-P141 HydrophobicContact SD-CG 4.27Å; F136-P141 HydrophobicContact CE1-CB 4.3Å; F136-P141 HydrophobicContact CE1-CG 3.98Å; F136-P141 HydrophobicContact CZ-CB 4.15Å; F136-P141 HydrophobicContact CZ-CG 4.08Å
142K98.1Very high94.7Very high70 Ų7052.3 Ų52.330%0.30430%0.299SS..EExtended strand (participates in β ladder)trans-105.1130.7175.4-169.5176.274.8162.60110.5V20 T21 D127 M128 M129V20-K142 CarbonylContact C-O 3.57Å; V20-K142 WeakPolarHBondContact CA-O 3.21Å; T21-K142 PolarHBondContact N-O 3.12Å; T21-K142 PolarHBondContact O-N 3.18Å; T21-K142 PolarHBondContact OG1-O 3.04Å; D127-K142 HydrophobicContact CB-CD 4.01Å; D127-K142 HydrophobicContact CB-CG 4.14Å; D127-K142 WeakPolarHBondContact OD2-CD 3.31Å; D127-K142 VanDerWaalsContact OD2-CE 3.25Å; D127-K142 WeakPolarHBondContact OD2-CE 3.42Å; D127-K142 IonicContact OD2-NZ 2.69Å; D127-K142 PolarHBondContact OD2-NZ 3.37Å; M128-K142 WeakPolarHBondContact O-CA 3.44Å; M128-K142 WeakPolarHBondContact O-CG 3.23Å; M129-K142 HydrophobicContact CE-CB 4.17Å; M129-K142 HydrophobicContact CE-CD 4.43Å; M129-K142 HydrophobicContact CE-CG 4.43Å; M129-K142 HydrophobicContact SD-CB 4.2Å
143V97.9Very high94.3Very high0 Ų052.1 Ų52.10%030%0.303CS..EExtended strand (participates in β ladder)trans-97137.6174.555.10000110.6F17 V20 F87 D127 M128 M130 F145F17-V143 HydrophobicContact CD2-CG2 4.19Å; F17-V143 HydrophobicContact CE1-CG2 4.14Å; F17-V143 HydrophobicContact CE2-CG2 3.28Å; F17-V143 HydrophobicContact CZ-CB 4.36Å; F17-V143 HydrophobicContact CZ-CG2 3.26Å; V20-V143 HydrophobicContact CG2-CB 4.33Å; V20-V143 HydrophobicContact CG2-CG2 4.4Å; F87-V143 HydrophobicContact CD2-CG1 4.21Å; F87-V143 HydrophobicContact CD2-CG2 4.29Å; F87-V143 HydrophobicContact CE2-CG2 4.38Å; D127-V143 CarbonylContact C-O 3.45Å; D127-V143 WeakPolarHBondContact CA-O 3.43Å; D127-V143 WeakPolarHBondContact CB-O 3.42Å; M128-V143 HydrophobicContact CB-CG1 3.79Å; M128-V143 HydrophobicContact CE-CG1 4.09Å; M128-V143 PolarHBondContact N-O 3.39Å; M128-V143 VanDerWaalsContact O-CG1 3.28Å; M128-V143 WeakPolarHBondContact O-CG1 3.46Å; M128-V143 PolarHBondContact O-N 2.59Å; M130-V143 HydrophobicContact CG-CG1 4.26Å; V143-F145 HydrophobicContact CG1-CD1 4.44Å; V143-F145 HydrophobicContact CG1-CE1 4.38Å; V143-F145 HydrophobicContact CG2-CD1 4.08Å
144E97.3Very high93.6Very high31 Ų3152.2 Ų52.215%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-117.1128.1174.1-171.6-173.5116.400109.5R18 K19 K125R18-E144 WeakPolarHBondContact CA-O 3.29Å; R18-E144 HydrophobicContact CB-CB 4.45Å; R18-E144 HydrophobicContact CB-CG 4.42Å; R18-E144 WeakPolarHBondContact CB-O 3.42Å; R18-E144 PolarHBondContact N-O 2.86Å; K19-E144 WeakPolarHBondContact CE-OE2 3.31Å; K19-E144 HydrophobicContact CG-CB 3.99Å; K19-E144 PolarHBondContact N-O 2.84Å; K19-E144 IonicContact NZ-OE1 3.68Å; K19-E144 IonicContact NZ-OE2 2.62Å; K19-E144 PolarHBondContact NZ-OE2 2.86Å; K19-E144 PolarHBondContact O-N 2.91Å; K125-E144 WeakPolarHBondContact CE-OE1 3.25Å; K125-E144 IonicContact NZ-OE1 2.75Å; K125-E144 PolarHBondContact NZ-OE1 2.83Å; K125-E144 IonicContact NZ-OE2 3.12Å; K125-E144 PolarHBondContact NZ-OE2 3.01Å
145F95.9Very high92.7Very high1 Ų149.4 Ų49.40%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-151.2175.2-176.262.4-77.1000111.5V15 V16 F87 F110 R126 M128 V143 T147V15-F145 HydrophobicContact CG1-CB 4.4Å; V15-F145 HydrophobicContact CG1-CD2 4.17Å; V16-F145 CarbonylContact O-C 3.47Å; V16-F145 VanDerWaalsContact O-CA 3.27Å; V16-F145 WeakPolarHBondContact O-CA 3.2Å; F87-F145 HydrophobicContact CE2-CD1 4.1Å; F87-F145 HydrophobicContact CE2-CE1 4.04Å; F87-F145 HydrophobicContact CE2-CE2 4.47Å; F87-F145 HydrophobicContact CE2-CG 4.34Å; F87-F145 HydrophobicContact CE2-CZ 4.23Å; F87-F145 HydrophobicContact CZ-CD2 4.48Å; F87-F145 HydrophobicContact CZ-CE2 4.34Å; F87-F145 HydrophobicContact CZ-CZ 4.43Å; F110-F145 HydrophobicContact CD2-CE2 4.47Å; F110-F145 HydrophobicContact CD2-CZ 4.48Å; F110-F145 HydrophobicContact CE2-CD2 4.48Å; F110-F145 AromaticContact CE2-CE2 3.45Å; F110-F145 HydrophobicContact CE2-CE2 3.45Å; F110-F145 VanDerWaalsContact CE2-CE2 3.45Å; F110-F145 AromaticContact CE2-CZ 3.68Å; F110-F145 HydrophobicContact CE2-CZ 3.68Å; F110-F145 HydrophobicContact CZ-CD2 4.41Å; F110-F145 AromaticContact CZ-CE2 3.7Å; F110-F145 HydrophobicContact CZ-CE2 3.7Å; F110-F145 HydrophobicContact CZ-CZ 4.38Å; R126-F145 HydrophobicContact CB-CD1 4.33Å; R126-F145 HydrophobicContact CB-CD2 4.2Å; R126-F145 HydrophobicContact CB-CE1 3.94Å; R126-F145 HydrophobicContact CB-CE2 3.8Å; R126-F145 HydrophobicContact CB-CG 4.46Å; R126-F145 HydrophobicContact CB-CZ 3.67Å; R126-F145 HydrophobicContact CG-CE2 4.45Å; R126-F145 PolarHBondContact N-O 3.46Å; R126-F145 PolarHBondContact O-N 2.85Å; M128-F145 HydrophobicContact CB-CE1 4.08Å; M128-F145 HydrophobicContact CE-CE1 4.43Å; V143-F145 HydrophobicContact CG1-CD1 4.44Å; V143-F145 HydrophobicContact CG1-CE1 4.38Å; V143-F145 HydrophobicContact CG2-CD1 4.08Å; F145-T147 HydrophobicContact CD2-CG2 3.85Å; F145-T147 HydrophobicContact CE2-CG2 3.73Å
146A93.8Very high91.4Very high13 Ų1351.3 Ų51.311%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-134.7146.6166.600000110.4V15 V16 A124V15-A146 CarbonylContact C-O 3.57Å; V15-A146 WeakPolarHBondContact CA-O 3.19Å; V16-A146 HydrophobicContact CB-CB 4.5Å; V16-A146 PolarHBondContact N-O 3.07Å; V16-A146 PolarHBondContact O-N 2.84Å; A124-A146 VanDerWaalsContact O-CA 3.27Å; A124-A146 WeakPolarHBondContact O-CA 3.12Å
147T93.3Very high89.9Confident12 Ų1258.4 Ų58.47%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-116.8152.117951.20000111.8L13 Q14 V15 F110 F145L13-T147 HydrophobicContact CD1-CG2 4.37Å; Q14-T147 CarbonylContact O-C 3.58Å; Q14-T147 WeakPolarHBondContact O-CA 3.39Å; V15-T147 HydrophobicContact CG2-CG2 4.42Å; F110-T147 HydrophobicContact CE1-CG2 3.85Å; F110-T147 HydrophobicContact CZ-CG2 3.71Å; F145-T147 HydrophobicContact CD2-CG2 3.85Å; F145-T147 HydrophobicContact CE2-CG2 3.73Å
148T91.8Very high88.3Confident69 Ų6960.6 Ų60.642%0.42332%0.317SS..EExtended strand (participates in β ladder)trans-150.4118.3169.8-50.40000108Q14Q14-T148 PolarHBondContact N-O 2.87Å; Q14-T148 PolarHBondContact O-N 2.82Å
149S91.5Very high86.5Confident37 Ų3765.1 Ų65.126%0.25932%0.319SS..EExtended strand (participates in β ladder)trans-114.3145.6179.9460000110.8K12K12-S149 WeakPolarHBondContact O-CA 3.36Å
150V92.4Very high84.3Confident73 Ų7368.2 Ų68.244%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-135.2132.7169.2-175.80000107.4L11 K12 E152L11-V150 WeakPolarHBondContact CA-O 3.46Å; K12-V150 PolarHBondContact N-O 3.09Å; K12-V150 PolarHBondContact O-N 3.13Å; V150-E152 HydrophobicContact CG1-CG 4.08Å
151I91Very high82.1Confident65 Ų6571.2 Ų71.233%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-104.3125.6167-63.8178000107.1C9 S10 L11 Y112 E153C9-I151 HydrophobicContact CB-CG2 4.35Å; S10-I151 WeakPolarHBondContact O-CA 3.36Å; L11-I151 HydrophobicContact CB-CG1 4.25Å; L11-I151 HydrophobicContact CD1-CG1 3.75Å; L11-I151 HydrophobicContact CG-CG1 4.48Å; Y112-I151 VanDerWaalsContact OH-CD1 3.27Å; Y112-I151 WeakPolarHBondContact OH-CD1 2.9Å; I151-E153 HydrophobicContact CG2-CG 4.46Å
152E90.6Very high79.7Confident110 Ų11075.6 Ų75.651%0.51438%0.38SS..EExtended strand (participates in β ladder)trans-111.3123.8173.7-66.8170.8-167.400108.2C9 S10 V150C9-E152 CarbonylContact C-O 3.5Å; C9-E152 WeakPolarHBondContact CA-O 3.3Å; S10-E152 PolarHBondContact N-O 3.22Å; S10-E152 PolarHBondContact O-N 2.67Å; V150-E152 HydrophobicContact CG1-CG 4.08Å
153E88.1Confident77Confident120 Ų12082.6 Ų82.656%0.56141%0.405SS*.EExtended strand (participates in β ladder)trans-97.4142.9175-62-175.5174.100109.9I151I151-E153 HydrophobicContact CG2-CG 4.46Å
154S82.9Confident74.3Confident43 Ų4388.1 Ų88.130%0.30144%0.441SS..EExtended strand (participates in β ladder)trans-147.5141.1-179.954.80000111.6V8V8-S154 PolarHBondContact N-O 2.97Å; V8-S154 PolarHBondContact O-N 2.75Å; V8-S154 PolarHBondContact O-OG 3.05Å
155D76.8Confident71.4Confident57 Ų5792.3 Ų92.331%0.30546%0.464SS..EExtended strand (participates in β ladder)trans-65.8136.7177.3-81.49.9000110.7F7 R157 D158F7-D155 WeakPolarHBondContact CD1-OD1 3.22Å; F7-D155 VanDerWaalsContact CE1-OD1 3.31Å; F7-D155 WeakPolarHBondContact CE1-OD1 3.4Å; D155-R157 PolarHBondContact O-N 3.23Å; D155-D158 PolarHBondContact O-N 2.85Å
156W63.5Low68.6Low137 Ų13799 Ų9952%0.51950%0.5SS..THydrogen-bonded Turntrans-58.1-20.6172.2-178-106.3000113.1C6 V8C6-W156 WeakPolarHBondContact O-CB 3.3Å; V8-W156 HydrophobicContact CG2-CE3 3.5Å; V8-W156 HydrophobicContact CG2-CZ3 4.02Å
157R65Low65.9Low149 Ų149105.4 Ų105.456%0.56253%0.527SS*.THydrogen-bonded Turntrans-72.8-33.7176.2-71.7-158.1-78.3-98.7-4.8113.3E5 D155 R159 K160E5-R157 VanDerWaalsContact CD-NH2 3.25Å; E5-R157 IonicContact OE1-CZ 2.65Å; E5-R157 VanDerWaalsContact OE1-CZ 3.24Å; E5-R157 IonicContact OE1-NH1 3.26Å; E5-R157 PolarHBondContact OE1-NH1 3.23Å; E5-R157 IonicContact OE1-NH2 3.57Å; E5-R157 PolarHBondContact OE1-NH2 3.42Å; E5-R157 IonicContact OE2-CZ 3.4Å; E5-R157 IonicContact OE2-NH1 2.97Å; E5-R157 IonicContact OE2-NH2 3.61Å; E5-R157 PolarHBondContact OE2-NH2 3.47Å; D155-R157 PolarHBondContact O-N 3.23Å; R157-R159 PolarHBondContact O-N 3.05Å; R157-K160 PolarHBondContact O-N 2.96Å; R157-K160 VanDerWaalsContact O-N 3.13Å
158D59.5Low63.1Low101 Ų101110.3 Ų110.354%0.5456%0.557SS.*G310 helixtrans-69.8-32.5-175-71-20000112.6D155 K160 S161D155-D158 PolarHBondContact O-N 2.85Å; D158-K160 PolarHBondContact O-N 3.38Å; D158-S161 WeakPolarHBondContact O-CB 3.48Å; D158-S161 PolarHBondContact O-N 2.98Å; D158-S161 PolarHBondContact O-OG 3.37Å
159R55.5Low60.4Low145 Ų145112.9 Ų112.955%0.54757%0.567SS.*G310 helixtrans-63.9-9.6173.3-83.3-177.7168-113.5-1115R157 S162R157-R159 PolarHBondContact O-N 3.05Å; R159-S162 PolarHBondContact O-OG 3.06Å
160K50.9Low57.3Low163 Ų163118 Ų11871%0.70959%0.591SS**G310 helixtrans-89.8-10.1172.4-71-174.7176.7-179.70113.8R157 D158R157-K160 PolarHBondContact O-N 2.96Å; R157-K160 VanDerWaalsContact O-N 3.13Å; D158-K160 PolarHBondContact O-N 3.38Å
161S50.1Low54.3Low99 Ų99124 Ų12469%0.69261%0.607SS**THydrogen-bonded Turntrans-81.1-28.2176.469.70000112.9D158 R163D158-S161 WeakPolarHBondContact O-CB 3.48Å; D158-S161 PolarHBondContact O-N 2.98Å; D158-S161 PolarHBondContact O-OG 3.37Å; S161-R163 PolarHBondContact O-N 2.89Å
162S48.5Very low51.6Low92 Ų92129.5 Ų129.564%0.64363%0.631SS**  trans-76.366.5176.962.90000112.4R159R159-S162 PolarHBondContact O-OG 3.06Å
163R40.5Very low48.8Very low218 Ų218130.2 Ų130.282%0.82365%0.645SS**  trans-67.1148.7151.8-82177.3146.9179.4-7.8108.5S161 D165S161-R163 PolarHBondContact O-N 2.89Å; R163-D165 PolarHBondContact O-N 3.24Å; R163-D165 VanDerWaalsContact O-N 3.1Å
164P41.2Very low45.9Very low116 Ų116130 Ų13075%0.75366%0.657SS**  trans-63.5114.3164.927.7-31.7000107.8N166P164-N166 PolarHBondContact O-N 3.18Å; P164-N166 VanDerWaalsContact O-N 3.1Å
165D36.2Very low43.5Very low118 Ų118139.3 Ų139.363%0.63169%0.685SS**  trans-73.9102177.4-160.5-12.6000108.5R163 H167R163-D165 PolarHBondContact O-N 3.24Å; R163-D165 VanDerWaalsContact O-N 3.1Å; D165-H167 PolarHBondContact O-N 3.36Å; D165-H167 IonicContact OD1-CE1 3.94Å; D165-H167 IonicContact OD1-ND1 3.51Å; D165-H167 IonicContact OD2-CE1 2.98Å; D165-H167 PolarHBondContact OD2-CE1 3.01Å; D165-H167 IonicContact OD2-ND1 3.33Å; D165-H167 PolarHBondContact OD2-ND1 3.12Å; D165-H167 IonicContact OD2-NE2 3.96Å
166N38.1Very low41.2Very low142 Ų142145.7 Ų145.776%0.75971%0.714SS**  trans-7182.1168.6-85.1-8.5000107.7P164 V168P164-N166 PolarHBondContact O-N 3.18Å; P164-N166 VanDerWaalsContact O-N 3.1Å; N166-V168 PolarHBondContact O-N 2.73Å
167H37.2Very low39.5Very low147 Ų147143.4 Ų143.468%0.68172%0.718SS**  trans-63.179.3172.4-70.2-40.5000111.3D165 I169D165-H167 PolarHBondContact O-N 3.36Å; D165-H167 IonicContact OD1-CE1 3.94Å; D165-H167 IonicContact OD1-ND1 3.51Å; D165-H167 IonicContact OD2-CE1 2.98Å; D165-H167 PolarHBondContact OD2-CE1 3.01Å; D165-H167 IonicContact OD2-ND1 3.33Å; D165-H167 PolarHBondContact OD2-ND1 3.12Å; D165-H167 IonicContact OD2-NE2 3.96Å; H167-I169 PolarHBondContact O-N 2.97Å
168V33.8Very low37.7Very low116 Ų116142.8 Ų142.870%0.70373%0.725SS**  trans-72.4100.3155.5179.20000106.2N166 L170N166-V168 PolarHBondContact O-N 2.73Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 HydrophobicContact CG1-CG 4.47Å; V168-L170 PolarHBondContact O-N 3.03Å
169I34.5Very low36.3Very low123 Ų123148.4 Ų148.463%0.63174%0.738SS**  trans-67.295175.9-56.9-178.7000108.6H167 Y171H167-I169 PolarHBondContact O-N 2.97Å; I169-Y171 HydrophobicContact CB-CE2 4.37Å; I169-Y171 HydrophobicContact CG2-CD2 3.68Å; I169-Y171 HydrophobicContact CG2-CE2 3.53Å; I169-Y171 HydrophobicContact CG2-CG 4.43Å; I169-Y171 PolarHBondContact O-N 3.28Å
170L27.7Very low34.9Very low145 Ų145150.1 Ų150.176%0.75975%0.753SS**  trans-78.392.6167.9-86.5152.1000108.8V168 H172V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 HydrophobicContact CG1-CG 4.47Å; V168-L170 PolarHBondContact O-N 3.03Å; L170-H172 PolarHBondContact O-N 3.14Å
171Y29.3Very low33.8Very low198 Ų198148.4 Ų148.478%0.77676%0.755SS**PPolyproline II helixtrans-61.2116.5168.2-80.7-92.4000110I169 P173I169-Y171 HydrophobicContact CB-CE2 4.37Å; I169-Y171 HydrophobicContact CG2-CD2 3.68Å; I169-Y171 HydrophobicContact CG2-CE2 3.53Å; I169-Y171 HydrophobicContact CG2-CG 4.43Å; I169-Y171 PolarHBondContact O-N 3.28Å; Y171-P173 WeakPolarHBondContact O-CD 3.38Å
172H33Very low32.6Very low180 Ų180152.4 Ų152.483%0.83376%0.763SS**PPolyproline II helixtrans-75121.7161.7-70-81.5000109L170L170-H172 PolarHBondContact O-N 3.14Å
173P32Very low31.5Very low125 Ų125153.3 Ų153.381%0.81277%0.77SS**PPolyproline II helixtrans-82.2124.7172.731.2-30.8000110.6Y171Y171-P173 WeakPolarHBondContact O-CD 3.38Å
174S28.4Very low31.4Very low117 Ų117148.2 Ų148.282%0.81877%0.765SS**PPolyproline II helixtrans-71.7156.3166.449.50000111.2
175R32.2Very low30.7Very low237 Ų237150.6 Ų150.689%0.89476%0.763SS**PPolyproline II helixtrans-81.5125.8172.5-76.6174.6164.6178.5-5.1110.4
176E29.1Very low30.3Very low192 Ų192157.2 Ų157.290%0.89778%0.779SS**  trans171.6150.1146.6-96.9154.1-152.100105.6
177S26.9Very low29.8Very low89 Ų89156.8 Ų156.862%0.62277%0.773SS**  cis179.6150.3-24.770.40000103.9
178I27.6Very low29.4Very low136 Ų136161.4 Ų161.470%0.69778%0.784SS**  trans82.2126.6155.3-60.1174.3000120.4
179R28.8Very low29.1Very low218 Ų218162.6 Ų162.682%0.82379%0.787SS**  trans79.7102.2156.2-76.4160.3-153.4-1564.4122.1
180Q27.5Very low28.9Very low182 Ų182161.9 Ų161.985%0.8579%0.788SS**  19.5130.2126-63.7175.1-37.800119.3
181V26.7Very low29Very low126 Ų126161.5 Ų161.576%0.76479%0.787SS**  -173.2127.2104.5151.70000111
182Q25.6Very low29.2Very low183 Ų183160.8 Ų160.886%0.85579%0.788SS**  trans34.1144.3149-55178.6-000124.5
183S24.7Very low29.3Very low112 Ų112160 Ų16078%0.78378%0.782SS**  trans-64.3-177.2175.5-42.10000114.4
184P38.5Very low29.3Very low111 Ų111159.4 Ų159.472%0.72177%0.772SS**  cis-147.516615.742.9-21.9000121.1
185K26.4Very low29.6Very low165 Ų165162.8 Ų162.872%0.71777%0.767SS**  trans29.9131.9143.4-66.6-173.5167.1-154.90121.2E187K185-E187 IonicContact NZ-OE1 2.78Å; K185-E187 PolarHBondContact NZ-OE1 2.65Å
186R29Very low29.7Very low257 Ų257158.8 Ų158.897%0.9776%0.756SS**  -143.6150.2121.8-114.3175.8-175.6-1751.6112
187E27.1Very low29.8Very low134 Ų134160 Ų16063%0.62675%0.752SS**  trans-114.5141.2-160.8-61.8164.8169.200112.4K185K185-E187 IonicContact NZ-OE1 2.78Å; K185-E187 PolarHBondContact NZ-OE1 2.65Å
188R28.1Very low29.9Very low243 Ų243159.6 Ų159.692%0.91776%0.762SS**  trans-179.7116.2133.8-102.1169.6174.6-176.6-3108.6
189N28.5Very low30.2Very low142 Ų142158.3 Ų158.376%0.75977%0.771SS**  54.2122.864-76.9-15.8000112
190T30.6Very low30.9Very low107 Ų107153 Ų15366%0.65677%0.768SS**  cis-157.2153.424.853.70000114.8
191N29.6Very low31.7Very low137 Ų137153.3 Ų153.373%0.73377%0.769SS**  trans49.3142.1132.9-65.8-30.7000121
192K32.7Very low32.7Very low184 Ų184155 Ų15580%0.877%0.774SS**  cis-166.6173.518.2-104.4151.3-178.5179.40107.1
193K35.2Very low33.7Very low164 Ų164150.4 Ų150.471%0.71377%0.767SS**  cis176.6129.4-29.5173.2-169.9166.7-175.70109.2
194D32Very low34.5Very low111 Ų111148 Ų14859%0.59476%0.76SS**  trans66.9150.6161.1-77.3-26.4000119.2
195R34.6Very low35.3Very low189 Ų189154 Ų15471%0.71377%0.77SS**  cis-164.8145.87.2-122.4158.3-165.5-158.4-2.9112.9
196K35.1Very low36.9Very low153 Ų153155.2 Ų155.267%0.66578%0.778SS**  trans45.8145.8139.8-72.9178.6177.6-179.10120.1
197R31.7Very low38.6Very low218 Ų218154.1 Ų154.182%0.82377%0.774SS**  cis-156.5150.6-0.6-89.3148.8172.5175.2-5.8103.1
198G29Very low40Very low79 Ų79156.2 Ų156.281%0.81478%0.783SS**  cis115.3100.739.100000109.2
199A33.6Very low41.9Very low109 Ų109149.2 Ų149.290%0.90177%0.768SS**  trans-169131.2162.300000109.6
200S42.8Very low43.2Very low107 Ų107148.6 Ų148.675%0.74877%0.769SS**  trans-95.6143.2164.751.70000109
201E44Very low44.2Very low189 Ų189147.8 Ų147.888%0.88377%0.768SS**  trans-165.2129.3140.3-112156.4-14300111.7
202D48.5Very low45.4Very low162 Ų162143.9 Ų143.987%0.86675%0.751SS**  trans-84.3119167172.430.7000108.1
203A45.7Very low46.4Very low85 Ų85146.3 Ų146.370%0.70276%0.755SS**  trans-141.983.4178.800000109.7
204G42.5Very low47.5Very low61 Ų61142.3 Ų142.363%0.62975%0.753SS**  trans-72.7138.9-170.500000115.6
205Y55Low48.8Very low238 Ų238147.5 Ų147.593%0.93376%0.764SS**  trans-98.874.7160-80.9-90.4000110.3
206Q59.7Low50.2Low191 Ų191144.8 Ų144.889%0.89377%0.769SS**  trans-103.810.4-178.4-82.2-148.5-5.500115.8
207R63.8Low51.7Low234 Ų234142.4 Ų142.488%0.88376%0.763SS**SBendtrans-136.8129.1173.6-70.4-172.7176.2169.10.2112.8T209R207-T209 PolarHBondContact O-N 2.97Å
208H57.7Low53.8Low178 Ų178134.7 Ų134.782%0.82474%0.742SS**  trans-66.2126.1169.4-76.7-128.8000109.6
209T66.9Low55.9Low96 Ų96136.5 Ų136.559%0.58974%0.739SS**  trans-71155.8178.350.80000111.8R207 S211 S212R207-T209 PolarHBondContact O-N 2.97Å; T209-S211 PolarHBondContact O-N 3.27Å; T209-S211 VanDerWaalsContact O-N 3.14Å; T209-S211 PolarHBondContact OG1-OG 3.08Å; T209-S212 WeakPolarHBondContact O-CB 3.48Å; T209-S212 PolarHBondContact O-N 2.74Å; T209-S212 PolarHBondContact O-OG 3.5Å
210V56.2Low58.2Low129 Ų129139.2 Ų139.278%0.78273%0.728SS**G310 helixtrans-57.8-31-175.3-179.70000112.7S212 R213V210-S212 PolarHBondContact O-N 2.92Å; V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 3.09Å
211S52.9Low60Low90 Ų90136.9 Ų136.963%0.62971%0.709SS**G310 helixtrans-60.9-28.5175.455.90000113.8T209 R213 A214T209-S211 PolarHBondContact O-N 3.27Å; T209-S211 VanDerWaalsContact O-N 3.14Å; T209-S211 PolarHBondContact OG1-OG 3.08Å; S211-R213 PolarHBondContact O-N 2.88Å; S211-A214 PolarHBondContact O-N 3.34Å
212S53.1Low61.7Low55 Ų55133.1 Ų133.139%0.38569%0.691SS.*G310 helixtrans-68.6-18.717670.60000113.6T209 V210T209-S212 WeakPolarHBondContact O-CB 3.48Å; T209-S212 PolarHBondContact O-N 2.74Å; T209-S212 PolarHBondContact O-OG 3.5Å; V210-S212 PolarHBondContact O-N 2.92Å
213R54.1Low63.2Low234 Ų234133.4 Ų133.488%0.88368%0.68SS**G310 helixtrans-94.1-7.1-177.3-139.6176.7-170174.73.4113.8V210 S211V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 3.09Å; S211-R213 PolarHBondContact O-N 2.88Å
214A57.6Low64.8Low81 Ų81135.6 Ų135.667%0.66967%0.67SS**  trans-116.531.5-172.200000113.2S211 T216S211-A214 PolarHBondContact O-N 3.34Å; A214-T216 PolarHBondContact O-N 3.16Å
215R59.5Low66.5Low219 Ų219137.5 Ų137.583%0.82666%0.664SS**  trans-83.4115.9172.9-65.8-161-67.9179.9-0.7110.2
216T65.1Low67.6Low132 Ų132129 Ų12981%0.8164%0.638SS**PPolyproline II helixtrans-57.3154.7162450000110A214 S218A214-T216 PolarHBondContact O-N 3.16Å; T216-S218 PolarHBondContact O-N 3.08Å
217L65.9Low68.5Low104 Ų104123.2 Ų123.255%0.54561%0.611SS.*PPolyproline II helixtrans-55.6142171.3-65.3178.8000109.3T221 H222 M225L217-T221 HydrophobicContact CB-CG2 4.29Å; L217-T221 HydrophobicContact CD1-CG2 4.39Å; L217-T221 HydrophobicContact CD2-CG2 4.03Å; L217-T221 HydrophobicContact CG-CG2 4.47Å; L217-H222 HydrophobicContact CB-CB 4.37Å; L217-M225 HydrophobicContact CD1-CG 4.45Å
218S75.2Confident69Low56 Ų56115.9 Ų115.939%0.39259%0.589SS.*PPolyproline II helixtrans-56.1150.7176.1830000110T216 Y220 T221 H222T216-S218 PolarHBondContact O-N 3.08Å; S218-Y220 PolarHBondContact O-N 2.83Å; S218-Y220 VanDerWaalsContact O-N 3.09Å; S218-T221 CarbonylContact O-C 3.59Å; S218-T221 WeakPolarHBondContact O-CA 3.42Å; S218-T221 PolarHBondContact O-N 3.06Å; S218-T221 WeakPolarHBondContact OG-CB 3.26Å; S218-T221 PolarHBondContact OG-N 3.29Å; S218-T221 VanDerWaalsContact OG-N 3.08Å; S218-T221 PolarHBondContact OG-OG1 2.82Å; S218-H222 PolarHBondContact O-N 3.48Å
219P74.4Confident69.8Low116 Ų116110.9 Ų110.975%0.75357%0.571SS**Hα-helixtrans-52.8-36.3-179.7-28.635.7000113.1R223P219-R223 VanDerWaalsContact O-CB 3.31Å; P219-R223 WeakPolarHBondContact O-CB 3.42Å; P219-R223 PolarHBondContact O-N 3Å
220Y81.9Confident70.1Confident167 Ų167111.4 Ų111.466%0.65557%0.567SS**Hα-helixtrans-66.2-47.9173.2-177.3-94.9000112.6S218 H222 R223 R224S218-Y220 PolarHBondContact O-N 2.83Å; S218-Y220 VanDerWaalsContact O-N 3.09Å; Y220-H222 PolarHBondContact O-N 2.98Å; Y220-R223 PolarHBondContact O-N 2.79Å; Y220-R224 WeakPolarHBondContact O-CB 3.46Å; Y220-R224 PolarHBondContact O-N 3.44Å
221T79.8Confident70.9Confident57 Ų57109.1 Ų109.135%0.3555%0.548SS..Hα-helixtrans-62.8-42177.9-480000111.6L217 S218 R224 M225L217-T221 HydrophobicContact CB-CG2 4.29Å; L217-T221 HydrophobicContact CD1-CG2 4.39Å; L217-T221 HydrophobicContact CD2-CG2 4.03Å; L217-T221 HydrophobicContact CG-CG2 4.47Å; S218-T221 CarbonylContact O-C 3.59Å; S218-T221 WeakPolarHBondContact O-CA 3.42Å; S218-T221 PolarHBondContact O-N 3.06Å; S218-T221 WeakPolarHBondContact OG-CB 3.26Å; S218-T221 PolarHBondContact OG-N 3.29Å; S218-T221 VanDerWaalsContact OG-N 3.08Å; S218-T221 PolarHBondContact OG-OG1 2.82Å; T221-R224 PolarHBondContact O-N 3.49Å; T221-M225 WeakPolarHBondContact O-CB 3.43Å; T221-M225 VanDerWaalsContact O-CG 3.25Å; T221-M225 WeakPolarHBondContact O-CG 3.31Å; T221-M225 PolarHBondContact O-N 2.7Å
222H80.3Confident71.8Confident111 Ų111108 Ų10851%0.51454%0.54SS..Hα-helixtrans-60.5-50.5175.2-175.4-79.4000110.9L217 S218 Y220 R224 M225 C226L217-H222 HydrophobicContact CB-CB 4.37Å; S218-H222 PolarHBondContact O-N 3.48Å; Y220-H222 PolarHBondContact O-N 2.98Å; H222-R224 VanDerWaalsContact C-N 3.35Å; H222-R224 PolarHBondContact O-N 2.71Å; H222-M225 PolarHBondContact O-N 3.05Å; H222-C226 PolarHBondContact CE1-SG 3.27Å; H222-C226 PolarHBondContact O-N 3.41Å; H222-C226 PolarHBondContact O-SG 3.44Å; H222-C226 VanDerWaalsContact O-SG 3.37Å
223R79.9Confident72.7Confident168 Ų168113.2 Ų113.263%0.63455%0.551SS**Hα-helixtrans-55.8-47.7176.5178.3175.8174.5158.35.6111.8P219 Y220 M225 C226 E227P219-R223 VanDerWaalsContact O-CB 3.31Å; P219-R223 WeakPolarHBondContact O-CB 3.42Å; P219-R223 PolarHBondContact O-N 3Å; Y220-R223 PolarHBondContact O-N 2.79Å; R223-M225 PolarHBondContact O-N 3.02Å; R223-C226 WeakPolarHBondContact O-CB 3.45Å; R223-C226 PolarHBondContact O-N 2.89Å; R223-E227 HydrophobicContact CG-CG 4.45Å; R223-E227 VanDerWaalsContact CG-OE1 3.3Å; R223-E227 WeakPolarHBondContact CG-OE1 3.36Å; R223-E227 IonicContact CZ-OE1 3.71Å; R223-E227 IonicContact NE-OE1 2.83Å; R223-E227 PolarHBondContact NE-OE1 3.38Å; R223-E227 IonicContact NH2-OE1 3.7Å; R223-E227 WeakPolarHBondContact O-CG 3.25Å; R223-E227 PolarHBondContact O-N 3.41Å
224R78.3Confident73.7Confident130 Ų130109.2 Ų109.249%0.49154%0.543SS..Hα-helixtrans-63.9-38.4-179.6-162.262.8169.5176.3-0.4112.8Y220 T221 H222 E227 L228Y220-R224 WeakPolarHBondContact O-CB 3.46Å; Y220-R224 PolarHBondContact O-N 3.44Å; T221-R224 PolarHBondContact O-N 3.49Å; H222-R224 VanDerWaalsContact C-N 3.35Å; H222-R224 PolarHBondContact O-N 2.71Å; R224-E227 WeakPolarHBondContact CD-OE2 3.32Å; R224-E227 IonicContact NH1-OE2 3.24Å; R224-E227 PolarHBondContact NH1-OE2 3.03Å; R224-E227 VanDerWaalsContact NH1-OE2 3.16Å; R224-E227 PolarHBondContact O-N 3.37Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.93Å
225M79.8Confident74.5Confident101 Ų101112.6 Ų112.650%0.49854%0.538SS..Hα-helixtrans-67.8-37.4174.7-70.5-61.7-6200112.1L217 T221 H222 R223 T229L217-M225 HydrophobicContact CD1-CG 4.45Å; T221-M225 WeakPolarHBondContact O-CB 3.43Å; T221-M225 VanDerWaalsContact O-CG 3.25Å; T221-M225 WeakPolarHBondContact O-CG 3.31Å; T221-M225 PolarHBondContact O-N 2.7Å; H222-M225 PolarHBondContact O-N 3.05Å; R223-M225 PolarHBondContact O-N 3.02Å; M225-T229 WeakPolarHBondContact O-CB 3.33Å; M225-T229 PolarHBondContact O-N 3.2Å; M225-T229 PolarHBondContact O-OG1 2.96Å
226C78Confident74.8Confident59 Ų59107.3 Ų107.340%0.39952%0.524SS..Hα-helixtrans-65.1-45.8172.6-69.50000111.9H222 R223 L228 T229 E230H222-C226 PolarHBondContact CE1-SG 3.27Å; H222-C226 PolarHBondContact O-N 3.41Å; H222-C226 PolarHBondContact O-SG 3.44Å; H222-C226 VanDerWaalsContact O-SG 3.37Å; R223-C226 WeakPolarHBondContact O-CB 3.45Å; R223-C226 PolarHBondContact O-N 2.89Å; C226-L228 PolarHBondContact O-N 3.47Å; C226-T229 WeakPolarHBondContact O-CB 3.46Å; C226-T229 PolarHBondContact O-N 2.83Å; C226-T229 VanDerWaalsContact O-N 3.09Å; C226-E230 PolarHBondContact O-N 3.39Å
227E77.9Confident74.9Confident71 Ų71105 Ų10533%0.33251%0.513SS..Hα-helixtrans-55-49.2175.6-73.4168.1-176.400111.2R223 R224 T229 E230 E231R223-E227 HydrophobicContact CG-CG 4.45Å; R223-E227 VanDerWaalsContact CG-OE1 3.3Å; R223-E227 WeakPolarHBondContact CG-OE1 3.36Å; R223-E227 IonicContact CZ-OE1 3.71Å; R223-E227 IonicContact NE-OE1 2.83Å; R223-E227 PolarHBondContact NE-OE1 3.38Å; R223-E227 IonicContact NH2-OE1 3.7Å; R223-E227 WeakPolarHBondContact O-CG 3.25Å; R223-E227 PolarHBondContact O-N 3.41Å; R224-E227 WeakPolarHBondContact CD-OE2 3.32Å; R224-E227 IonicContact NH1-OE2 3.24Å; R224-E227 PolarHBondContact NH1-OE2 3.03Å; R224-E227 VanDerWaalsContact NH1-OE2 3.16Å; R224-E227 PolarHBondContact O-N 3.37Å; E227-T229 VanDerWaalsContact C-N 3.3Å; E227-T229 PolarHBondContact O-N 3.09Å; E227-E230 PolarHBondContact O-N 3.05Å; E227-E231 WeakPolarHBondContact O-CB 3.48Å; E227-E231 PolarHBondContact O-N 3.44Å
228L74.1Confident75Confident80 Ų80106.3 Ų106.342%0.41952%0.516SS..Hα-helixtrans-64.2-32.3176.4-70.2168.3000113.3R224 C226 S232R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 2.93Å; C226-L228 PolarHBondContact O-N 3.47Å; L228-S232 WeakPolarHBondContact O-CB 3.43Å; L228-S232 PolarHBondContact O-N 2.75Å; L228-S232 PolarHBondContact O-OG 2.69Å
229T75.1Confident74.8Confident72 Ų72107.3 Ų107.344%0.44252%0.517SS..Hα-helixtrans-70.1-45.5177.8-57.60000110.6M225 C226 E227 S232 R233M225-T229 WeakPolarHBondContact O-CB 3.33Å; M225-T229 PolarHBondContact O-N 3.2Å; M225-T229 PolarHBondContact O-OG1 2.96Å; C226-T229 WeakPolarHBondContact O-CB 3.46Å; C226-T229 PolarHBondContact O-N 2.83Å; C226-T229 VanDerWaalsContact O-N 3.09Å; E227-T229 VanDerWaalsContact C-N 3.3Å; E227-T229 PolarHBondContact O-N 3.09Å; T229-S232 WeakPolarHBondContact O-CB 3.23Å; T229-S232 PolarHBondContact O-N 3.15Å; T229-R233 WeakPolarHBondContact O-CG 3.49Å; T229-R233 PolarHBondContact O-N 2.94Å
230E74Confident74.2Confident108 Ų108110 Ų11051%0.50552%0.519SS..Hα-helixtrans-68.3-40.1176.9-69-53.514000112.3C226 E227 S232 R233 Q234C226-E230 PolarHBondContact O-N 3.39Å; E227-E230 PolarHBondContact O-N 3.05Å; E230-S232 VanDerWaalsContact C-N 3.25Å; E230-S232 PolarHBondContact O-N 3.31Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 VanDerWaalsContact O-N 3.15Å; E230-Q234 WeakPolarHBondContact O-CB 3.33Å; E230-Q234 PolarHBondContact O-N 2.92Å
231E72.4Confident73.2Confident80 Ų80108.2 Ų108.237%0.37452%0.52SS..Hα-helixtrans-58.7-39.6172.5-166.7-171.5165.800111.3E227 Q234 R235E227-E231 WeakPolarHBondContact O-CB 3.48Å; E227-E231 PolarHBondContact O-N 3.44Å; E231-Q234 PolarHBondContact O-N 3.48Å; E231-R235 VanDerWaalsContact CD-NH1 3.26Å; E231-R235 WeakPolarHBondContact O-CB 3.39Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE1-CZ 2.75Å; E231-R235 IonicContact OE1-NH1 3.16Å; E231-R235 PolarHBondContact OE1-NH1 3.47Å; E231-R235 IonicContact OE1-NH2 2.97Å; E231-R235 PolarHBondContact OE1-NH2 2.94Å
232S71.9Confident72.1Confident66 Ų66108 Ų10846%0.46253%0.529SS..Hα-helixtrans-67.7-41.2175.5-58.60000112.2L228 T229 E230 R235 M236L228-S232 WeakPolarHBondContact O-CB 3.43Å; L228-S232 PolarHBondContact O-N 2.75Å; L228-S232 PolarHBondContact O-OG 2.69Å; T229-S232 WeakPolarHBondContact O-CB 3.23Å; T229-S232 PolarHBondContact O-N 3.15Å; E230-S232 VanDerWaalsContact C-N 3.25Å; E230-S232 PolarHBondContact O-N 3.31Å; S232-R235 PolarHBondContact O-N 3.33Å; S232-M236 WeakPolarHBondContact O-CB 3.47Å; S232-M236 VanDerWaalsContact O-CG 3.23Å; S232-M236 WeakPolarHBondContact O-CG 3.49Å; S232-M236 PolarHBondContact O-N 2.81Å
233R72.3Confident71Confident165 Ų165108.7 Ų108.762%0.62354%0.543SS*.Hα-helixtrans-63.3-42.6174.3-7117773141.98.5111.6T229 E230 M236 S237T229-R233 WeakPolarHBondContact O-CG 3.49Å; T229-R233 PolarHBondContact O-N 2.94Å; E230-R233 PolarHBondContact O-N 3.3Å; E230-R233 VanDerWaalsContact O-N 3.15Å; R233-M236 PolarHBondContact O-N 2.9Å; R233-S237 PolarHBondContact O-N 2.83Å
234Q73.8Confident69.8Low151 Ų151108.4 Ų108.471%0.70655%0.549SS*.Hα-helixtrans-65.6-43.2178.1-165.517214.100111E230 E231 M236 S237E230-Q234 WeakPolarHBondContact O-CB 3.33Å; E230-Q234 PolarHBondContact O-N 2.92Å; E231-Q234 PolarHBondContact O-N 3.48Å; Q234-M236 PolarHBondContact O-N 2.7Å; Q234-S237 WeakPolarHBondContact O-CB 3.47Å; Q234-S237 PolarHBondContact O-N 3.42Å; Q234-S237 PolarHBondContact O-OG 3.44Å
235R74.2Confident68.6Low152 Ų152110.5 Ų110.557%0.57456%0.564SS**Hα-helixtrans-59-43.1171.1-81.3-161.7-179.890.213.9112.8E231 S232 S237 H238E231-R235 VanDerWaalsContact CD-NH1 3.26Å; E231-R235 WeakPolarHBondContact O-CB 3.39Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE1-CZ 2.75Å; E231-R235 IonicContact OE1-NH1 3.16Å; E231-R235 PolarHBondContact OE1-NH1 3.47Å; E231-R235 IonicContact OE1-NH2 2.97Å; E231-R235 PolarHBondContact OE1-NH2 2.94Å; S232-R235 PolarHBondContact O-N 3.33Å; R235-S237 VanDerWaalsContact C-N 3.33Å; R235-S237 PolarHBondContact O-N 2.78Å; R235-H238 PolarHBondContact O-CE1 3.19Å; R235-H238 PolarHBondContact O-ND1 3.48Å
236M67Low67.3Low108 Ų108114.5 Ų114.553%0.53258%0.579SS.*Hα-helixtrans-81.3-9.8-176.7-62.4-65.9-76.700113.8S232 R233 Q234 H238 L239 L241S232-M236 WeakPolarHBondContact O-CB 3.47Å; S232-M236 VanDerWaalsContact O-CG 3.23Å; S232-M236 WeakPolarHBondContact O-CG 3.49Å; S232-M236 PolarHBondContact O-N 2.81Å; R233-M236 PolarHBondContact O-N 2.9Å; Q234-M236 PolarHBondContact O-N 2.7Å; M236-H238 VanDerWaalsContact C-N 3.31Å; M236-H238 PolarHBondContact O-N 3.47Å; M236-L239 HydrophobicContact CB-CD1 4.43Å; M236-L239 HydrophobicContact CE-CD1 3.46Å; M236-L239 VanDerWaalsContact CE-CD1 3.46Å; M236-L239 WeakPolarHBondContact O-CB 3.43Å; M236-L239 PolarHBondContact O-N 3.33Å; M236-L239 HydrophobicContact SD-CD1 3.56Å; M236-L239 VanDerWaalsContact SD-CD1 3.56Å; M236-L241 HydrophobicContact CE-CD1 4.49Å
237S66Low65.9Low84 Ų84120.7 Ų120.759%0.58759%0.594SS**G310 helixtrans-61.2-31.2-174.266.60000114.9R233 Q234 R235 L239R233-S237 PolarHBondContact O-N 2.83Å; Q234-S237 WeakPolarHBondContact O-CB 3.47Å; Q234-S237 PolarHBondContact O-N 3.42Å; Q234-S237 PolarHBondContact O-OG 3.44Å; R235-S237 VanDerWaalsContact C-N 3.33Å; R235-S237 PolarHBondContact O-N 2.78Å; S237-L239 PolarHBondContact O-N 3.36Å
238H68.8Low64.4Low130 Ų130125.5 Ų125.560%0.60261%0.614SS**G310 helixtrans-75.7-9.8-179.168.2-93.6000113.9R235 M236 H240R235-H238 PolarHBondContact O-CE1 3.19Å; R235-H238 PolarHBondContact O-ND1 3.48Å; M236-H238 VanDerWaalsContact C-N 3.31Å; M236-H238 PolarHBondContact O-N 3.47Å; H238-H240 PolarHBondContact O-N 3Å; H238-H240 PolarHBondContact O-ND1 3.37Å
239L71.2Confident63.1Low77 Ų77127.9 Ų127.940%0.40364%0.637SS.*G310 helixtrans-81.60.5-176.4-61.9172.1000113.6M236 S237 L241M236-L239 HydrophobicContact CB-CD1 4.43Å; M236-L239 HydrophobicContact CE-CD1 3.46Å; M236-L239 VanDerWaalsContact CE-CD1 3.46Å; M236-L239 WeakPolarHBondContact O-CB 3.43Å; M236-L239 PolarHBondContact O-N 3.33Å; M236-L239 HydrophobicContact SD-CD1 3.56Å; M236-L239 VanDerWaalsContact SD-CD1 3.56Å; S237-L239 PolarHBondContact O-N 3.36Å; L239-L241 HydrophobicContact CB-CD1 4.29Å; L239-L241 HydrophobicContact CB-CG 4.03Å; L239-L241 PolarHBondContact O-N 2.92Å
240H62.3Low62Low174 Ų174130.5 Ų130.581%0.80665%0.653SS**  trans50.726.1176.6-65.785.2000114.9H238 G242H238-H240 PolarHBondContact O-N 3Å; H238-H240 PolarHBondContact O-ND1 3.37Å; H240-G242 PolarHBondContact O-N 3.26Å; H240-G242 VanDerWaalsContact O-N 3.16Å
241L61.3Low60.2Low128 Ų128131.5 Ų131.567%0.6766%0.658SS**  trans-67.2113.8171.1-56.3176.6000107.4M236 L239M236-L241 HydrophobicContact CE-CD1 4.49Å; L239-L241 HydrophobicContact CB-CD1 4.29Å; L239-L241 HydrophobicContact CB-CG 4.03Å; L239-L241 PolarHBondContact O-N 2.92Å
242G56.7Low59.3Low53 Ų53137 Ų13755%0.54668%0.681SS.*  trans-55.5169.5-178.800000113.4H240 H244H240-G242 PolarHBondContact O-N 3.26Å; H240-G242 VanDerWaalsContact O-N 3.16Å; G242-H244 PolarHBondContact O-N 3.26Å
243P56Low58.1Low125 Ų125142.4 Ų142.481%0.81270%0.699SS**  trans-56.991.2-162.223.3-35.2000113.7H245P243-H245 PolarHBondContact O-N 2.93Å
244H55Low57Low163 Ų163139.8 Ų139.876%0.75570%0.703SS**  trans-92.494.9-173.2-157.1-74.3000110.2G242 F246G242-H244 PolarHBondContact O-N 3.26Å; H244-F246 PolarHBondContact O-N 2.96Å
245H52Low55.9Low174 Ų174142 Ų14281%0.80671%0.71SS**  trans-66.799.9174-75-82.3000110.5P243 R247P243-H245 PolarHBondContact O-N 2.93Å; H245-R247 PolarHBondContact O-N 3.31Å
246F52.5Low54.8Low184 Ų184142.9 Ų142.981%0.80773%0.726SS**  trans-70.992178-156.9-88000110.5H244 K248H244-F246 PolarHBondContact O-N 2.96Å; F246-K248 PolarHBondContact O-N 2.73Å
247R50.1Low53.9Low190 Ų190146 Ų14672%0.71774%0.743SS**  trans-70114.5-175.4-159.6177.7-171.4177.95.4110.3H245 S249 E251H245-R247 PolarHBondContact O-N 3.31Å; R247-S249 PolarHBondContact O-N 3.16Å; R247-E251 IonicContact CZ-OE2 3.14Å; R247-E251 IonicContact NE-OE2 2.76Å; R247-E251 PolarHBondContact NE-OE2 2.69Å; R247-E251 IonicContact NH2-OE2 2.69Å; R247-E251 PolarHBondContact NH2-OE2 2.76Å
248K46.8Very low52.9Low172 Ų172150.7 Ų150.775%0.74876%0.756SS**  trans-63.6130.1173.4-81-179.9175.3174.30109.9F246 T250F246-K248 PolarHBondContact O-N 2.73Å; K248-T250 PolarHBondContact O-N 2.95Å
249S46.4Very low51.7Low129 Ų129155.9 Ų155.990%0.90277%0.77SS**THydrogen-bonded Turntrans-74.769.2179.5-167.30000112.2R247R247-S249 PolarHBondContact O-N 3.16Å
250T50.5Low50.6Low128 Ų128164.5 Ų164.579%0.78581%0.811SS**THydrogen-bonded Turntrans-149.17.7172.1170000113.5K248K248-T250 PolarHBondContact O-N 2.95Å
251E37.6Very low50Low128 Ų128164.1 Ų164.160%0.59881%0.812SS**PPolyproline II helixtrans-89.4120.4179.5-158.7169.2-145.800110.6R247R247-E251 IonicContact CZ-OE2 3.14Å; R247-E251 IonicContact NE-OE2 2.76Å; R247-E251 PolarHBondContact NE-OE2 2.69Å; R247-E251 IonicContact NH2-OE2 2.69Å; R247-E251 PolarHBondContact NH2-OE2 2.76Å
252K53.9Low49.4Very low197 Ų197165.9 Ų165.986%0.85782%0.819SS**PPolyproline II helixtrans-69.2133177.4-68.6179.3178.7177.40109.5
253Q46.3Very low49Very low179 Ų179172.2 Ų172.284%0.83683%0.834SS**PPolyproline II helixtrans-62.2143170.4-75.9-178.7-3700110.9
254P49.2Very low48.6Very low109 Ų109175 Ų17571%0.70884%0.836SS**PPolyproline II helixtrans-70.7147.6171.430.9-34000110.7
255F49.3Very low48.2Very low198 Ų198175.8 Ų175.887%0.86884%0.841SS**PPolyproline II helixtrans-74.6130.5177.67.8-90.9000110.4L257F255-L257 PolarHBondContact O-N 3.41Å
256L51.3Low47.9Very low171 Ų171175.9 Ų175.990%0.89584%0.843SS**PPolyproline II helixtrans-77117.8174-67.3171.3000109.9H258L256-H258 PolarHBondContact O-N 3.46Å
257L48.6Very low47.6Very low172 Ų172175.3 Ų175.390%0.90185%0.846SS**PPolyproline II helixtrans-71.9118166.3-85.5161.4000109.2F255 R259F255-L257 PolarHBondContact O-N 3.41Å; L257-R259 PolarHBondContact O-N 3.46Å
258H45.8Very low47.4Very low184 Ų184174.2 Ų174.285%0.85286%0.856SS**PPolyproline II helixtrans-67.7126.1159.8-102.653.4000108.5L256L256-H258 PolarHBondContact O-N 3.46Å
259R43.4Very low47.4Very low239 Ų239174.3 Ų174.390%0.90287%0.865SS**PPolyproline II helixtrans-96.6128.4169.1-152.4176.4-172.5166.91.8107.4L257L257-R259 PolarHBondContact O-N 3.46Å
260M46.8Very low47.5Very low258 Ų258178.5 Ų178.5100%1.27186%0.861SS**  trans-69.10163-69.8176.6175.300109.9

Retrieved 260 of 260 residues in 40.8 ms (Link to these results)

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