A0A5K4F373_SCHMA Loading...

Ac45-VOA1_TM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F373, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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
1M42.5Very low56.5Low243 Ų243139 Ų139100%1.19769%0.691SS**  0400-162.5155167.700112.7
2S47.3Very low57.2Low100 Ų100135.7 Ų135.770%0.69968%0.677SS**  trans-116.6-21.5-177.1174.70000113.5H4S2-H4 PolarHBondContact O-N 2.98Å
3L49.7Very low57.8Low161 Ų161133.3 Ų133.384%0.84367%0.674SS**THydrogen-bonded Turntrans-71.9-26.7-177.2-125.679.4000114.1M5L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.27Å
4H47.8Very low58Low167 Ų167131.6 Ų131.677%0.77367%0.666SS**Hα-helixtrans-75.9-18.8-174-134.8-79.9000113.7S2S2-H4 PolarHBondContact O-N 2.98Å
5M52.6Low58.2Low141 Ų141129.5 Ų129.570%0.69566%0.657SS**Hα-helixtrans-80.7-20.3179.3-113161.269.600113.2L3L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.27Å
6S61.1Low58.2Low79 Ų79126.4 Ų126.455%0.55265%0.646SS**Hα-helixtrans-81.9-42.4-179-163.80000111.8H8 R9 V10S6-H8 VanDerWaalsContact C-N 3.35Å; S6-H8 PolarHBondContact O-N 3.5Å; S6-R9 PolarHBondContact O-N 3.23Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.02Å; S6-V10 VanDerWaalsContact O-N 3.1Å
7Y61.6Low58.1Low172 Ų172124.4 Ų124.468%0.67565%0.645SS**Hα-helixtrans-64.3-39-178.7-163.4-100.1000112.5R9 V10 L11Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.44Å; Y7-V10 PolarHBondContact O-N 3.01Å; Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.36Å
8H61.2Low58Low120 Ų120124.4 Ų124.456%0.55665%0.651SS**Hα-helixtrans-68.2-29.9178.6-148.9-50.6000112.6S6 L12S6-H8 VanDerWaalsContact C-N 3.35Å; S6-H8 PolarHBondContact O-N 3.5Å; H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.13Å
9R64.7Low57.7Low182 Ų182124.8 Ų124.869%0.68765%0.653SS**Hα-helixtrans-73-41.3174.1-74.2-174.9173.9-163-1.4111.8S6 Y7 L12 V13S6-R9 PolarHBondContact O-N 3.23Å; Y7-R9 VanDerWaalsContact C-N 3.3Å; Y7-R9 PolarHBondContact O-N 3.44Å; R9-L12 PolarHBondContact O-N 3.24Å; R9-V13 VanDerWaalsContact O-CG2 3.23Å; R9-V13 WeakPolarHBondContact O-CG2 3.35Å; R9-V13 PolarHBondContact O-N 3.35Å
10V66.1Low57.2Low81 Ų81121.9 Ų121.949%0.49164%0.641SS.*Hα-helixtrans-66.5-42178.11770000111.2S6 Y7 V13 L14S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.02Å; S6-V10 VanDerWaalsContact O-N 3.1Å; Y7-V10 PolarHBondContact O-N 3.01Å; V10-V13 PolarHBondContact O-N 2.8Å; V10-L14 HydrophobicContact CG1-CD1 4.15Å; V10-L14 PolarHBondContact O-N 2.85Å; V10-L14 VanDerWaalsContact O-N 3.08Å
11L66.6Low57.2Low83 Ų83122.1 Ų122.144%0.43565%0.652SS.*Hα-helixtrans-66.2-39.7176.9-163.774.1000111.8Y7 L14 L15Y7-L11 WeakPolarHBondContact O-CB 3.37Å; Y7-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.13Å
12L65.2Low57.3Low99 Ų99114.8 Ų114.852%0.51863%0.625SS.*Hα-helixtrans-64.5-40.9176.6-134.1100.1000111.8H8 R9 L14 L15 V16H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 3.24Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L15 PolarHBondContact O-N 3.12Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.1Å
13V64.6Low57.2Low105 Ų105115.9 Ų115.964%0.63663%0.632SS**Hα-helixtrans-65.8-39.6179.31720000111R9 V10 C17R9-V13 VanDerWaalsContact O-CG2 3.23Å; R9-V13 WeakPolarHBondContact O-CG2 3.35Å; R9-V13 PolarHBondContact O-N 3.35Å; V10-V13 PolarHBondContact O-N 2.8Å; V13-C17 VanDerWaalsContact O-CB 3.3Å; V13-C17 WeakPolarHBondContact O-CB 3.28Å; V13-C17 PolarHBondContact O-N 2.89Å
14L60.7Low56.8Low109 Ų109112 Ų11257%0.57162%0.622SS**Hα-helixtrans-67.6-41174.6-76.5164.2000112.1V10 L11 L12 C17 V18V10-L14 HydrophobicContact CG1-CD1 4.15Å; V10-L14 PolarHBondContact O-N 2.85Å; V10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L14-C17 PolarHBondContact O-N 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.19Å
15L60.8Low56.7Low100 Ų100108.4 Ų108.452%0.52462%0.622SS.*Hα-helixtrans-70.2-39.7-178.9-140.4107.1000112.3L11 L12 C17 V18 L19L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.12Å; L15-C17 VanDerWaalsContact C-N 3.28Å; L15-C17 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 3Å; L15-L19 HydrophobicContact CD2-CD1 3.53Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 3.31Å
16V58.9Low56.3Low80 Ų80109.6 Ų109.649%0.48563%0.626SS.*Hα-helixtrans-66.6-32.3176.5173.40000111.1L12 T20L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.1Å; V16-T20 PolarHBondContact O-N 3.39Å; V16-T20 VanDerWaalsContact O-N 3.14Å; V16-T20 PolarHBondContact O-OG1 3.46Å
17C56.5Low55.3Low92 Ų92110.9 Ų110.962%0.62263%0.634SS**Hα-helixtrans-74.2-27.4179.2-156.70000113.2V13 L14 L15V13-C17 VanDerWaalsContact O-CB 3.3Å; V13-C17 WeakPolarHBondContact O-CB 3.28Å; V13-C17 PolarHBondContact O-N 2.89Å; L14-C17 PolarHBondContact O-N 3.49Å; L15-C17 VanDerWaalsContact C-N 3.28Å; L15-C17 PolarHBondContact O-N 3.3Å
18V56.4Low54.4Low125 Ų125109 Ų10976%0.75864%0.635SS**Hα-helixtrans-86.9-34.7176.9178.30000112.1L14 L15L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.19Å; L15-V18 PolarHBondContact O-N 3Å
19L52Low53.2Low132 Ų132109.7 Ų109.769%0.69165%0.648SS**Hα-helixtrans-86.8-22.6-176.1-77.3159.7000114.4L15L15-L19 HydrophobicContact CD2-CD1 3.53Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 3.31Å
20T46.9Very low52.3Low67 Ų67105.5 Ų105.541%0.41164%0.636SS.*SBendtrans-102.6113.6169.964.40000107.5V16 S22V16-T20 PolarHBondContact O-N 3.39Å; V16-T20 VanDerWaalsContact O-N 3.14Å; V16-T20 PolarHBondContact O-OG1 3.46Å; T20-S22 PolarHBondContact O-N 2.66Å
21S58.2Low51.4Low126 Ų126108.1 Ų108.188%0.88165%0.653SS**  trans-65.939.617361.10000112.5
22S45.1Very low51Low90 Ų90107.5 Ų107.563%0.62965%0.65SS**  trans-106.736.3-174.4-51.20000110.2T20 A24T20-S22 PolarHBondContact O-N 2.66Å; S22-A24 PolarHBondContact O-N 2.92Å
23C45.1Very low51.8Low123 Ų123107.2 Ų107.283%0.83165%0.649SS**  trans-84.260.9145.5-1350000106.8A25C23-A25 VanDerWaalsContact C-N 3.28Å; C23-A25 PolarHBondContact O-N 3.31Å
24A41Very low53.1Low79 Ų79108 Ų10865%0.65364%0.641SS**  trans-59.6105.716000000104.4S22 Q26S22-A24 PolarHBondContact O-N 2.92Å; A24-Q26 PolarHBondContact O-N 3.35Å
25A46.3Very low54.7Low92 Ų92103.1 Ų103.176%0.7662%0.616SS**  trans-43.3112.8168.300000106C23 S27C23-A25 VanDerWaalsContact C-N 3.28Å; C23-A25 PolarHBondContact O-N 3.31Å; A25-S27 PolarHBondContact O-N 2.9Å
26Q43.1Very low56.3Low166 Ų166102.6 Ų102.678%0.77661%0.607SS**  trans-61.898.6171.9-68.4179.9900104.8A24 L28A24-Q26 PolarHBondContact O-N 3.35Å; Q26-L28 HydrophobicContact CB-CD1 4.39Å; Q26-L28 HydrophobicContact CB-CG 4.46Å; Q26-L28 PolarHBondContact O-N 3.38Å
27S39.6Very low58Low105 Ų10599.6 Ų99.673%0.73459%0.588SS**  trans-66.177.1160.61730000105.2A25 T29A25-S27 PolarHBondContact O-N 2.9Å; S27-T29 VanDerWaalsContact C-N 3.29Å; S27-T29 PolarHBondContact O-N 2.92Å
28L44.3Very low59.7Low133 Ų13398.3 Ų98.370%0.69658%0.575SS**  trans-57.7104.6163-80.3138.3000104.6Q26 H30Q26-L28 HydrophobicContact CB-CD1 4.39Å; Q26-L28 HydrophobicContact CB-CG 4.46Å; Q26-L28 PolarHBondContact O-N 3.38Å; L28-H30 PolarHBondContact O-N 2.69Å
29T35.6Very low61.4Low134 Ų13492.5 Ų92.582%0.82254%0.54SS*.  trans-6768.6165.152.60000106.9S27 T31S27-T29 VanDerWaalsContact C-N 3.29Å; S27-T29 PolarHBondContact O-N 2.92Å; T29-T31 PolarHBondContact O-N 2.88Å
30H45.8Very low63.1Low95 Ų9591.8 Ų91.844%0.4455%0.546SS..  trans-79.4120.4174.1-167.1-67.7000105.1L28 D32 R48L28-H30 PolarHBondContact O-N 2.69Å; H30-D32 WeakPolarHBondContact CB-OD1 3.36Å; H30-D32 IonicContact CE1-OD1 3.2Å; H30-D32 IonicContact CG-OD1 2.85Å; H30-D32 VanDerWaalsContact ND1-CA 3.28Å; H30-D32 WeakPolarHBondContact ND1-CA 3.45Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.81Å; H30-D32 PolarHBondContact ND1-OD1 2.92Å; H30-D32 PolarHBondContact O-N 3.46Å; H30-R48 PolarHBondContact CD2-NH2 3.39Å; H30-R48 PolarHBondContact CE1-NH2 2.91Å; H30-R48 VanDerWaalsContact CG-NH2 3.26Å; H30-R48 PolarHBondContact ND1-NH2 3.21Å; H30-R48 PolarHBondContact NE2-NH2 2.71Å
31T47.8Very low65Low136 Ų13689.4 Ų89.483%0.83454%0.535SS*.  trans-60.680.7157.630.20000106.4T29 N33T29-T31 PolarHBondContact O-N 2.88Å; T31-N33 PolarHBondContact O-N 3.47Å
32D57.4Low66.6Low69 Ų6984.9 Ų84.937%0.36950%0.502SS..  trans-64.8105.2-174.4-73.2-45.4000107.9H30 Y34 R48H30-D32 WeakPolarHBondContact CB-OD1 3.36Å; H30-D32 IonicContact CE1-OD1 3.2Å; H30-D32 IonicContact CG-OD1 2.85Å; H30-D32 VanDerWaalsContact ND1-CA 3.28Å; H30-D32 WeakPolarHBondContact ND1-CA 3.45Å; H30-D32 PolarHBondContact ND1-N 2.9Å; H30-D32 IonicContact ND1-OD1 2.81Å; H30-D32 PolarHBondContact ND1-OD1 2.92Å; H30-D32 PolarHBondContact O-N 3.46Å; D32-Y34 HydrophobicContact CB-CD1 3.46Å; D32-Y34 VanDerWaalsContact CB-CD1 3.46Å; D32-Y34 HydrophobicContact CB-CE1 4.08Å; D32-Y34 HydrophobicContact CB-CG 4.47Å; D32-Y34 WeakPolarHBondContact O-CD1 3.25Å; D32-Y34 PolarHBondContact O-N 3.25Å; D32-R48 IonicContact OD1-CZ 3.67Å; D32-R48 IonicContact OD1-NH1 2.89Å; D32-R48 PolarHBondContact OD1-NH1 2.98Å; D32-R48 IonicContact OD1-NH2 2.91Å; D32-R48 PolarHBondContact OD1-NH2 3.14Å
33N82.6Confident68.9Low94 Ų9480.6 Ų80.650%0.50347%0.472SS..  trans-76.969.3165.6-167.6-1.6000107.1T31 A67T31-N33 PolarHBondContact O-N 3.47Å; N33-A67 WeakPolarHBondContact OD1-CB 3.47Å; N33-A67 PolarHBondContact OD1-N 2.72Å; N33-A67 VanDerWaalsContact OD1-N 3.16Å
34Y92.2Very high71.2Confident121 Ų12174.7 Ų74.748%0.47543%0.433SS..  trans-99.6153.3178.564.9-87.8000110.6D32 F46 A67D32-Y34 HydrophobicContact CB-CD1 3.46Å; D32-Y34 VanDerWaalsContact CB-CD1 3.46Å; D32-Y34 HydrophobicContact CB-CE1 4.08Å; D32-Y34 HydrophobicContact CB-CG 4.47Å; D32-Y34 WeakPolarHBondContact O-CD1 3.25Å; D32-Y34 PolarHBondContact O-N 3.25Å; Y34-F46 HydrophobicContact CD2-CD2 4Å; Y34-F46 AromaticContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CE2-CE2 4.5Å; Y34-F46 AromaticContact CG-CE2 3.77Å; Y34-F46 HydrophobicContact CG-CE2 3.77Å; Y34-A67 WeakPolarHBondContact O-CB 3.27Å
35T93Very high73.8Confident6 Ų671 Ų714%0.03740%0.402CS..EExtended strand (participates in β ladder)trans-102.8124.7170.7-54.70000108.4F37 F46 A47 A67 L70T35-F37 HydrophobicContact CG2-CD2 3.99Å; T35-F37 HydrophobicContact CG2-CE1 4.06Å; T35-F37 HydrophobicContact CG2-CE2 3.43Å; T35-F37 VanDerWaalsContact CG2-CE2 3.43Å; T35-F37 HydrophobicContact CG2-CZ 3.5Å; T35-F37 VanDerWaalsContact CG2-CZ 3.5Å; T35-F46 CarbonylContact O-C 3.57Å; T35-F46 VanDerWaalsContact O-CA 3.31Å; T35-F46 WeakPolarHBondContact O-CA 3.44Å; T35-A47 PolarHBondContact N-O 3.39Å; T35-A47 PolarHBondContact O-N 3.38Å; T35-A67 WeakPolarHBondContact OG1-CB 3.5Å; T35-L70 HydrophobicContact CG2-CB 4.3Å; T35-L70 HydrophobicContact CG2-CD1 4.05Å; T35-L70 WeakPolarHBondContact OG1-CD1 3.25Å
36Y94.1Very high76.1Confident89 Ų8969.2 Ų69.235%0.34938%0.377SS..EExtended strand (participates in β ladder)trans-129130.2171.8172.3-100.9000109.5N38 A44 F45 F46 G187 F189Y36-N38 HydrophobicContact CE1-CB 3.88Å; Y36-A44 HydrophobicContact CE2-CB 4.4Å; Y36-F45 CarbonylContact C-O 3.54Å; Y36-F45 WeakPolarHBondContact CA-O 3.48Å; Y36-F45 WeakPolarHBondContact CD2-O 3.4Å; Y36-F46 HydrophobicContact CD2-CB 4.34Å; Y36-G187 PolarHBondContact OH-O 2.87Å; Y36-F189 AromaticContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CZ 4.42Å; Y36-F189 HydrophobicContact CE2-CD2 4.4Å; Y36-F189 AromaticContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CZ 4.12Å
37F94.6Very high78.6Confident17 Ų1761.3 Ų61.38%0.07534%0.34CS..EExtended strand (participates in β ladder)trans-124.6127.9176.5-63.4-49.3000110.1T35 A44 F45 L70 L72 L85 F87T35-F37 HydrophobicContact CG2-CD2 3.99Å; T35-F37 HydrophobicContact CG2-CE1 4.06Å; T35-F37 HydrophobicContact CG2-CE2 3.43Å; T35-F37 VanDerWaalsContact CG2-CE2 3.43Å; T35-F37 HydrophobicContact CG2-CZ 3.5Å; T35-F37 VanDerWaalsContact CG2-CZ 3.5Å; F37-A44 WeakPolarHBondContact O-CA 3.47Å; F37-F45 HydrophobicContact CB-CB 4.35Å; F37-F45 AromaticContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CE1 4.38Å; F37-F45 HydrophobicContact CE2-CD1 4.49Å; F37-F45 PolarHBondContact N-O 3.48Å; F37-F45 PolarHBondContact O-N 2.94Å; F37-L70 HydrophobicContact CZ-CB 4.07Å; F37-L72 HydrophobicContact CB-CD1 4.03Å; F37-L72 HydrophobicContact CB-CD2 4.43Å; F37-L72 HydrophobicContact CD1-CB 3.77Å; F37-L72 HydrophobicContact CD1-CD1 4.27Å; F37-L72 HydrophobicContact CD1-CG 4.45Å; F37-L72 HydrophobicContact CD2-CD1 4.44Å; F37-L72 HydrophobicContact CE1-CB 3.99Å; F37-L72 HydrophobicContact CG-CB 4.39Å; F37-L72 HydrophobicContact CG-CD1 4.02Å; F37-L85 HydrophobicContact CB-CD1 4.47Å; F37-L85 HydrophobicContact CD2-CD1 4.49Å; F37-F87 HydrophobicContact CD2-CB 4.24Å; F37-F87 HydrophobicContact CE2-CB 3.45Å; F37-F87 VanDerWaalsContact CE2-CB 3.45Å; F37-F87 HydrophobicContact CE2-CD1 4.22Å; F37-F87 HydrophobicContact CE2-CD2 4.43Å; F37-F87 AromaticContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CZ-CB 3.82Å
38N93.4Very high81.2Confident65 Ų6560.4 Ų60.435%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-113.2112.3171.1179.8-1.1000108.4Y36 G41 G187Y36-N38 HydrophobicContact CE1-CB 3.88Å; N38-G41 WeakPolarHBondContact OD1-CA 3.32Å; N38-G41 PolarHBondContact OD1-N 2.88Å; N38-G187 WeakPolarHBondContact ND2-CA 3.09Å
39V92.2Very high83.6Confident4 Ų456.2 Ų56.22%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-94.7101.2176.7-1790000107.6G41 C42 L43 L72 S76 L85V39-G41 PolarHBondContact O-N 3.48Å; V39-C42 PolarHBondContact O-N 2.71Å; V39-C42 PolarHBondContact O-SG 2.96Å; V39-L43 HydrophobicContact CB-CB 4.09Å; V39-L43 HydrophobicContact CB-CD2 4.28Å; V39-L43 HydrophobicContact CG2-CB 4.48Å; V39-L43 HydrophobicContact CG2-CD2 3.73Å; V39-L43 PolarHBondContact N-O 3.4Å; V39-L43 PolarHBondContact O-N 2.91Å; V39-L72 HydrophobicContact CG2-CD1 3.98Å; V39-L72 HydrophobicContact CG2-CD2 3.96Å; V39-S76 WeakPolarHBondContact CG1-O 3.44Å; V39-L85 HydrophobicContact CG2-CD1 4.02Å
40S87.4Confident86.4Confident117 Ų11750 Ų5082%0.81826%0.264SS*.THydrogen-bonded Turntrans47.927.3173.9-53.70000115.4C42S40-C42 PolarHBondContact O-N 3.47Å
41G87Confident88.7Confident17 Ų1746.3 Ų46.318%0.17525%0.249CC..THydrogen-bonded Turntrans76.9-4.1-178.600000116.1N38 V39 V184 G187N38-G41 WeakPolarHBondContact OD1-CA 3.32Å; N38-G41 PolarHBondContact OD1-N 2.88Å; V39-G41 PolarHBondContact O-N 3.48Å; G41-V184 CarbonylContact O-C 3.58Å; G41-V184 WeakPolarHBondContact O-CB 3.46Å; G41-V184 VanDerWaalsContact O-CG1 3.31Å; G41-V184 WeakPolarHBondContact O-CG1 3.42Å; G41-G187 PolarHBondContact O-N 3.39Å
42C90.5Very high91Very high30 Ų3039.9 Ų39.920%0.20321%0.21CC..THydrogen-bonded Turntrans-107.9-21.3-171.954.70000114.5V39 S40 C78 V184V39-C42 PolarHBondContact O-N 2.71Å; V39-C42 PolarHBondContact O-SG 2.96Å; S40-C42 PolarHBondContact O-N 3.47Å; C42-C78 HydrophobicContact CB-CB 3.74Å; C42-C78 WeakPolarHBondContact CB-SG 3.44Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 1.99Å; C42-C78 PolarHBondContact SG-SG 2.96Å; C42-V184 WeakPolarHBondContact O-CG2 3.38Å
43L93.5Very high92.8Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-131132.6171.3174160.1000109.2V39 F45 L85 F104 Q180 P181V39-L43 HydrophobicContact CB-CB 4.09Å; V39-L43 HydrophobicContact CB-CD2 4.28Å; V39-L43 HydrophobicContact CG2-CB 4.48Å; V39-L43 HydrophobicContact CG2-CD2 3.73Å; V39-L43 PolarHBondContact N-O 3.4Å; V39-L43 PolarHBondContact O-N 2.91Å; L43-F45 HydrophobicContact CD2-CB 4.43Å; L43-L85 HydrophobicContact CD1-CB 4.21Å; L43-L85 HydrophobicContact CD2-CB 4.22Å; L43-L85 HydrophobicContact CD2-CD1 3.98Å; L43-L85 HydrophobicContact CD2-CD2 4.33Å; L43-L85 HydrophobicContact CD2-CG 4.41Å; L43-F104 HydrophobicContact CD1-CD2 4.17Å; L43-F104 HydrophobicContact CD1-CE2 4.25Å; L43-Q180 WeakPolarHBondContact CA-O 3.31Å; L43-P181 HydrophobicContact CD1-CB 4.12Å
44A94.1Very high93.3Very high0 Ų036.1 Ų36.10%019%0.185CC..EExtended strand (participates in β ladder)trans-122.3136.3176.200000109.9Y36 F37 Q180 V184 F189Y36-A44 HydrophobicContact CE2-CB 4.4Å; F37-A44 WeakPolarHBondContact O-CA 3.47Å; A44-Q180 PolarHBondContact N-O 3.23Å; A44-Q180 PolarHBondContact O-N 3.41Å; A44-V184 HydrophobicContact CB-CG1 4.11Å; A44-V184 HydrophobicContact CB-CG2 4.09Å; A44-F189 HydrophobicContact CB-CD1 3.86Å; A44-F189 HydrophobicContact CB-CD2 4.46Å; A44-F189 HydrophobicContact CB-CE1 3.45Å; A44-F189 VanDerWaalsContact CB-CE1 3.45Å; A44-F189 HydrophobicContact CB-CE2 4.12Å; A44-F189 HydrophobicContact CB-CG 4.35Å; A44-F189 HydrophobicContact CB-CZ 3.59Å; A44-F189 WeakPolarHBondContact O-CE1 3.34Å
45F95.3Very high93.3Very high1 Ų131.9 Ų31.90%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-134.3136.4176.9174.3-86.1000109.8Y36 F37 L43 A47 I50 L85 L102 F174 I177 Q178 V179Y36-F45 CarbonylContact C-O 3.54Å; Y36-F45 WeakPolarHBondContact CA-O 3.48Å; Y36-F45 WeakPolarHBondContact CD2-O 3.4Å; F37-F45 HydrophobicContact CB-CB 4.35Å; F37-F45 AromaticContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CD1 3.78Å; F37-F45 HydrophobicContact CD2-CE1 4.38Å; F37-F45 HydrophobicContact CE2-CD1 4.49Å; F37-F45 PolarHBondContact N-O 3.48Å; F37-F45 PolarHBondContact O-N 2.94Å; L43-F45 HydrophobicContact CD2-CB 4.43Å; F45-A47 HydrophobicContact CE1-CB 3.88Å; F45-A47 HydrophobicContact CZ-CB 4Å; F45-I50 HydrophobicContact CE1-CD1 4.38Å; F45-L85 HydrophobicContact CB-CD2 3.62Å; F45-L85 HydrophobicContact CD1-CD2 4.31Å; F45-L85 HydrophobicContact CD2-CD2 3.48Å; F45-L85 VanDerWaalsContact CD2-CD2 3.48Å; F45-L85 HydrophobicContact CE2-CD2 4.18Å; F45-L85 HydrophobicContact CG-CD2 3.55Å; F45-L102 HydrophobicContact CE2-CD1 4.47Å; F45-F174 HydrophobicContact CZ-CD1 4.36Å; F45-F174 HydrophobicContact CZ-CE1 4.12Å; F45-I177 HydrophobicContact CE2-CD1 3.55Å; F45-I177 HydrophobicContact CE2-CG1 4.11Å; F45-I177 HydrophobicContact CZ-CD1 3.86Å; F45-I177 HydrophobicContact CZ-CG1 4.47Å; F45-Q178 CarbonylContact C-O 3.56Å; F45-V179 HydrophobicContact CD2-CB 4.25Å; F45-V179 HydrophobicContact CD2-CG2 4.21Å
46F95Very high93Very high54 Ų5432.9 Ų32.924%0.23718%0.18CC..EExtended strand (participates in β ladder)trans-137.7137.3177.9170.4-89.9000109.5Y34 T35 Y36 S176 I177 Q178 F189Y34-F46 HydrophobicContact CD2-CD2 4Å; Y34-F46 AromaticContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CD2-CE2 3.63Å; Y34-F46 HydrophobicContact CE2-CE2 4.5Å; Y34-F46 AromaticContact CG-CE2 3.77Å; Y34-F46 HydrophobicContact CG-CE2 3.77Å; T35-F46 CarbonylContact O-C 3.57Å; T35-F46 VanDerWaalsContact O-CA 3.31Å; T35-F46 WeakPolarHBondContact O-CA 3.44Å; Y36-F46 HydrophobicContact CD2-CB 4.34Å; F46-S176 WeakPolarHBondContact CE1-O 3.39Å; F46-I177 CarbonylContact O-C 3.51Å; F46-I177 WeakPolarHBondContact O-CA 3.3Å; F46-Q178 HydrophobicContact CB-CB 4.23Å; F46-Q178 HydrophobicContact CD1-CB 4.22Å; F46-Q178 PolarHBondContact N-O 2.92Å; F46-Q178 PolarHBondContact O-N 2.81Å; F46-F189 HydrophobicContact CB-CE2 3.91Å; F46-F189 HydrophobicContact CB-CZ 3.74Å
47A95.7Very high92.6Very high0 Ų031.6 Ų31.60%019%0.193CC..EExtended strand (participates in β ladder)trans-143.7134.6168.700000109.9T35 F45 I50 F174 S176T35-A47 PolarHBondContact N-O 3.39Å; T35-A47 PolarHBondContact O-N 3.38Å; F45-A47 HydrophobicContact CE1-CB 3.88Å; F45-A47 HydrophobicContact CZ-CB 4Å; A47-I50 HydrophobicContact CB-CD1 4.2Å; A47-I50 HydrophobicContact CB-CG1 3.94Å; A47-F174 HydrophobicContact CB-CD1 4.48Å; A47-S176 WeakPolarHBondContact CA-O 3.19Å
48R94.6Very high92.1Very high87 Ų8741.1 Ų41.133%0.32823%0.234SC..EExtended strand (participates in β ladder)trans-70.5-38.9175-174.1179.6-175.483.211.9112H30 D32 T175 S176H30-R48 PolarHBondContact CD2-NH2 3.39Å; H30-R48 PolarHBondContact CE1-NH2 2.91Å; H30-R48 VanDerWaalsContact CG-NH2 3.26Å; H30-R48 PolarHBondContact ND1-NH2 3.21Å; H30-R48 PolarHBondContact NE2-NH2 2.71Å; D32-R48 IonicContact OD1-CZ 3.67Å; D32-R48 IonicContact OD1-NH1 2.89Å; D32-R48 PolarHBondContact OD1-NH1 2.98Å; D32-R48 IonicContact OD1-NH2 2.91Å; D32-R48 PolarHBondContact OD1-NH2 3.14Å; R48-T175 WeakPolarHBondContact CB-O 3.29Å; R48-T175 PolarHBondContact N-O 3.49Å; R48-S176 PolarHBondContact N-O 3.07Å; R48-S176 VanDerWaalsContact N-O 3.08Å
49S93.5Very high91.7Very high45 Ų4541.4 Ų41.432%0.31524%0.239SC..EExtended strand (participates in β ladder)trans-152.7150.3170.6690000111.7T175S49-T175 PolarHBondContact N-O 2.84Å; S49-T175 PolarHBondContact O-N 3.27Å; S49-T175 WeakPolarHBondContact OG-CB 3.4Å; S49-T175 PolarHBondContact OG-OG1 3.05Å
50I95.3Very high91.6Very high2 Ų244.6 Ų44.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-125.6127.5176.3-53.4-178.5000106.8F45 A47 I65 L70 F87 I172 F174F45-I50 HydrophobicContact CE1-CD1 4.38Å; A47-I50 HydrophobicContact CB-CD1 4.2Å; A47-I50 HydrophobicContact CB-CG1 3.94Å; I50-I65 HydrophobicContact CB-CB 4.45Å; I50-I65 WeakPolarHBondContact O-CB 3.31Å; I50-I65 PolarHBondContact O-N 3.36Å; I50-L70 HydrophobicContact CD1-CD1 3.92Å; I50-F87 HydrophobicContact CD1-CE2 4.21Å; I50-F87 HydrophobicContact CD1-CZ 4.33Å; I50-I172 HydrophobicContact CG2-CG2 4.04Å; I50-F174 HydrophobicContact CD1-CD1 4.23Å; I50-F174 HydrophobicContact CD1-CE1 4Å; I50-F174 HydrophobicContact CG1-CD1 3.88Å; I50-F174 HydrophobicContact CG1-CE1 4.08Å; I50-F174 HydrophobicContact CG2-CD1 4.27Å; I50-F174 HydrophobicContact CG2-CE1 4.03Å
51S94.4Very high91.8Very high19 Ų1940.3 Ų40.313%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-132.9143.9177.7-60.10000110.1V63 Q173S51-V63 CarbonylContact C-O 3.59Å; S51-V63 WeakPolarHBondContact CA-O 3.43Å; S51-Q173 PolarHBondContact N-O 2.98Å; S51-Q173 PolarHBondContact O-N 3.08Å
52V95.6Very high92Very high0 Ų044.3 Ų44.30%025%0.252CS..EExtended strand (participates in β ladder)trans-105.5119.6173.8-175.20000108.1L54 V63 I65 I95 L98 I120 V170V52-L54 HydrophobicContact CB-CD1 4.37Å; V52-L54 HydrophobicContact CG1-CD1 3.97Å; V52-L54 HydrophobicContact CG1-CD2 4.4Å; V52-L54 HydrophobicContact CG1-CG 3.99Å; V52-V63 PolarHBondContact N-O 3.46Å; V52-V63 PolarHBondContact O-N 3.03Å; V52-I65 HydrophobicContact CG2-CD1 4.15Å; V52-I65 HydrophobicContact CG2-CG1 4.13Å; V52-I95 HydrophobicContact CB-CD1 4.04Å; V52-I95 HydrophobicContact CG1-CD1 4.21Å; V52-I95 HydrophobicContact CG2-CD1 4.12Å; V52-L98 HydrophobicContact CG2-CD2 4.14Å; V52-I120 HydrophobicContact CG1-CD1 4.13Å; V52-V170 HydrophobicContact CG1-CG1 3.97Å
53K94.3Very high92.2Very high84 Ų8443 Ų4337%0.36524%0.243SC..EExtended strand (participates in β ladder)trans-96.4117.4173.3177-179.7-179.1-178.10108.9V55 S61 I62 V170 S171K53-V55 HydrophobicContact CG-CG2 4.23Å; K53-S61 WeakPolarHBondContact CA-O 3.3Å; K53-I62 HydrophobicContact CB-CG1 4.34Å; K53-I62 HydrophobicContact CG-CG1 4.16Å; K53-V170 CarbonylContact O-C 3.52Å; K53-V170 WeakPolarHBondContact O-CA 3.36Å; K53-S171 PolarHBondContact N-O 2.9Å; K53-S171 PolarHBondContact O-N 2.86Å
54L93.5Very high92.2Very high0 Ų046.5 Ų46.50%027%0.265CS..EExtended strand (participates in β ladder)trans-110.1130.3178.4-51.4102.5000108.6V52 A60 S61 V63 C129V52-L54 HydrophobicContact CB-CD1 4.37Å; V52-L54 HydrophobicContact CG1-CD1 3.97Å; V52-L54 HydrophobicContact CG1-CD2 4.4Å; V52-L54 HydrophobicContact CG1-CG 3.99Å; L54-A60 CarbonylContact O-C 3.56Å; L54-A60 WeakPolarHBondContact O-CA 3.22Å; L54-S61 PolarHBondContact N-O 2.76Å; L54-S61 PolarHBondContact O-N 3.31Å; L54-V63 HydrophobicContact CD1-CB 4.13Å; L54-V63 HydrophobicContact CD1-CG2 3.48Å; L54-V63 VanDerWaalsContact CD1-CG2 3.48Å; L54-C129 HydrophobicContact CD2-CB 3.9Å
55V91.6Very high92.2Very high33 Ų3346.9 Ų46.920%0.227%0.268CS..EExtended strand (participates in β ladder)trans-129.7126.7178.5-173.70000108.1K53 T59 A60 Y168 S169K53-V55 HydrophobicContact CG-CG2 4.23Å; V55-T59 CarbonylContact C-O 3.59Å; V55-T59 WeakPolarHBondContact CA-O 3.24Å; V55-A60 HydrophobicContact CG1-CB 4.48Å; V55-A60 HydrophobicContact CG2-CB 4.15Å; V55-Y168 CarbonylContact O-C 3.52Å; V55-Y168 VanDerWaalsContact O-CA 3.25Å; V55-Y168 WeakPolarHBondContact O-CA 3.46Å; V55-S169 VanDerWaalsContact CB-OG 3.31Å; V55-S169 WeakPolarHBondContact CB-OG 3.12Å; V55-S169 WeakPolarHBondContact CG2-OG 3.16Å; V55-S169 PolarHBondContact N-O 2.87Å; V55-S169 PolarHBondContact O-N 3.37Å
56S88Confident92.1Very high27 Ų2748.9 Ų48.919%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-130.598.1-179.11690000108.9K58 T59 Y168S56-K58 PolarHBondContact O-N 2.95Å; S56-T59 PolarHBondContact N-O 3.43Å; S56-T59 PolarHBondContact O-N 3.32Å; S56-T59 PolarHBondContact O-OG1 2.98Å; S56-Y168 WeakPolarHBondContact OG-CD1 3.17Å; S56-Y168 WeakPolarHBondContact OG-CE1 3.48Å
57G84.7Confident91.8Very high61 Ų6147.4 Ų47.463%0.62928%0.278SS*.THydrogen-bonded Turntrans57.5-110.8-173.200000111.9G167G57-G167 PolarHBondContact N-O 3.25Å
58K84.3Confident91.5Very high217 Ų21752.9 Ų52.994%0.94332%0.316SS*.THydrogen-bonded Turntrans-91.8-12.4179.3-66.2-173.8-179.6-179.90114.3S56S56-K58 PolarHBondContact O-N 2.95Å
59T85.4Confident91.4Very high71 Ų7149.8 Ų49.844%0.43631%0.308SS..EExtended strand (participates in β ladder)trans-90.5135.8179.658.40000109.6V55 S56V55-T59 CarbonylContact C-O 3.59Å; V55-T59 WeakPolarHBondContact CA-O 3.24Å; S56-T59 PolarHBondContact N-O 3.43Å; S56-T59 PolarHBondContact O-N 3.32Å; S56-T59 PolarHBondContact O-OG1 2.98Å
60A89.7Confident91.4Very high71 Ų7148.4 Ų48.459%0.58730%0.297SS*.EExtended strand (participates in β ladder)trans-131.2133.3173.300000108.7L54 V55L54-A60 CarbonylContact O-C 3.56Å; L54-A60 WeakPolarHBondContact O-CA 3.22Å; V55-A60 HydrophobicContact CG1-CB 4.48Å; V55-A60 HydrophobicContact CG2-CB 4.15Å
61S90.7Very high91.3Very high27 Ų2750.9 Ų50.919%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-127.5137.9176.2-170.70000108.8K53 L54 E94 S128K53-S61 WeakPolarHBondContact CA-O 3.3Å; L54-S61 PolarHBondContact N-O 2.76Å; L54-S61 PolarHBondContact O-N 3.31Å; S61-E94 WeakPolarHBondContact CB-OE1 3.46Å; S61-E94 PolarHBondContact OG-OE1 2.92Å; S61-S128 WeakPolarHBondContact CB-OG 3.2Å
62I93.1Very high91.3Very high101 Ų10152.9 Ų52.952%0.51832%0.324SS..EExtended strand (participates in β ladder)trans-113.1112.5172.4-61173.8000106.2K53 P64K53-I62 HydrophobicContact CB-CG1 4.34Å; K53-I62 HydrophobicContact CG-CG1 4.16Å; I62-P64 VanDerWaalsContact O-CD 3.26Å; I62-P64 WeakPolarHBondContact O-CD 2.98Å
63V93.1Very high91.2Very high3 Ų353.7 Ų53.72%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-100.8102.7-178-179.70000108.4S51 V52 L54 I65 V92 N93 I95S51-V63 CarbonylContact C-O 3.59Å; S51-V63 WeakPolarHBondContact CA-O 3.43Å; V52-V63 PolarHBondContact N-O 3.46Å; V52-V63 PolarHBondContact O-N 3.03Å; L54-V63 HydrophobicContact CD1-CB 4.13Å; L54-V63 HydrophobicContact CD1-CG2 3.48Å; L54-V63 VanDerWaalsContact CD1-CG2 3.48Å; V63-I65 HydrophobicContact CG1-CD1 4.15Å; V63-V92 HydrophobicContact CG1-CG1 4.15Å; V63-N93 HydrophobicContact CG1-CB 3.88Å; V63-I95 HydrophobicContact CB-CD1 4.36Å; V63-I95 HydrophobicContact CG1-CD1 4.1Å
64P94.1Very high91.1Very high73 Ų7355.9 Ų55.947%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-69.6135.7172.629.3-33.3000109.9I62 V92I62-P64 VanDerWaalsContact O-CD 3.26Å; I62-P64 WeakPolarHBondContact O-CD 2.98Å; P64-V92 WeakPolarHBondContact O-CG1 3.49Å
65I93.9Very high91Very high9 Ų961.2 Ų61.25%0.04638%0.38CS..EExtended strand (participates in β ladder)trans-99.7112.7177.1-51.1-58.5000108.4I50 V52 V63 L70 V92 I95 L98I50-I65 HydrophobicContact CB-CB 4.45Å; I50-I65 WeakPolarHBondContact O-CB 3.31Å; I50-I65 PolarHBondContact O-N 3.36Å; V52-I65 HydrophobicContact CG2-CD1 4.15Å; V52-I65 HydrophobicContact CG2-CG1 4.13Å; V63-I65 HydrophobicContact CG1-CD1 4.15Å; I65-L70 HydrophobicContact CB-CD1 4.45Å; I65-L70 HydrophobicContact CG2-CD1 3.73Å; I65-L70 HydrophobicContact CG2-CD2 3.98Å; I65-L70 HydrophobicContact CG2-CG 3.66Å; I65-V92 HydrophobicContact CD1-CB 4.28Å; I65-V92 HydrophobicContact CD1-CG1 3.9Å; I65-I95 HydrophobicContact CD1-CD1 4.4Å; I65-L98 HydrophobicContact CD1-CD2 4.07Å; I65-L98 HydrophobicContact CG1-CD2 4.04Å
66P92.6Very high91.2Very high43 Ų4360.3 Ų60.328%0.27938%0.375SS..  trans-71.3143179.428.6-32000110.6S68 S69 V92P66-S68 PolarHBondContact O-N 2.91Å; P66-S69 WeakPolarHBondContact CD-OG 3.18Å; P66-S69 PolarHBondContact O-N 3.49Å; P66-S69 PolarHBondContact O-OG 3.34Å; P66-V92 HydrophobicContact CG-CG2 4.48Å
67A90.4Very high91.5Very high22 Ų2265.6 Ų65.618%0.18240%0.395CS..G310 helixtrans-60.9-30.6-178.900000112.7N33 Y34 T35 S69 L70N33-A67 WeakPolarHBondContact OD1-CB 3.47Å; N33-A67 PolarHBondContact OD1-N 2.72Å; N33-A67 VanDerWaalsContact OD1-N 3.16Å; Y34-A67 WeakPolarHBondContact O-CB 3.27Å; T35-A67 WeakPolarHBondContact OG1-CB 3.5Å; A67-S69 PolarHBondContact O-N 2.88Å; A67-L70 WeakPolarHBondContact O-CB 3.33Å; A67-L70 PolarHBondContact O-N 3.08Å; A67-L70 VanDerWaalsContact O-N 3.11Å
68S89.5Confident91.8Very high115 Ų11565 Ų6580%0.80438%0.38SS*.G310 helixtrans-64.2-24175.7560000114.3P66P66-S68 PolarHBondContact O-N 2.91Å
69S90.7Very high92.2Very high22 Ų2258.2 Ų58.215%0.15436%0.36CS..G310 helixtrans-86.4-13.317671.80000113P66 A67 S89 V92P66-S69 WeakPolarHBondContact CD-OG 3.18Å; P66-S69 PolarHBondContact O-N 3.49Å; P66-S69 PolarHBondContact O-OG 3.34Å; A67-S69 PolarHBondContact O-N 2.88Å; S69-S89 WeakPolarHBondContact CB-OG 2.98Å; S69-S89 VanDerWaalsContact O-CA 3.29Å; S69-S89 WeakPolarHBondContact O-CA 3.42Å; S69-S89 PolarHBondContact OG-OG 3.16Å; S69-V92 WeakPolarHBondContact OG-CG2 3.37Å
70L94Very high92.4Very high16 Ų1661.4 Ų61.48%0.08437%0.374CS..EExtended strand (participates in β ladder)trans-89.1132.6-174.1-81.1161.8000110.1T35 F37 I50 I65 A67 F87 T88T35-L70 HydrophobicContact CG2-CB 4.3Å; T35-L70 HydrophobicContact CG2-CD1 4.05Å; T35-L70 WeakPolarHBondContact OG1-CD1 3.25Å; F37-L70 HydrophobicContact CZ-CB 4.07Å; I50-L70 HydrophobicContact CD1-CD1 3.92Å; I65-L70 HydrophobicContact CB-CD1 4.45Å; I65-L70 HydrophobicContact CG2-CD1 3.73Å; I65-L70 HydrophobicContact CG2-CD2 3.98Å; I65-L70 HydrophobicContact CG2-CG 3.66Å; A67-L70 WeakPolarHBondContact O-CB 3.33Å; A67-L70 PolarHBondContact O-N 3.08Å; A67-L70 VanDerWaalsContact O-N 3.11Å; L70-F87 HydrophobicContact CD2-CD2 3.58Å; L70-F87 HydrophobicContact CD2-CE2 4.05Å; L70-T88 WeakPolarHBondContact CA-O 3.33Å
71S94.1Very high92.6Very high55 Ų5563.5 Ų63.539%0.38538%0.375SS..EExtended strand (participates in β ladder)trans-131.9142.4-179.752.20000110.2F87 T88S71-F87 WeakPolarHBondContact O-CA 3.01Å; S71-T88 PolarHBondContact N-O 2.92Å; S71-T88 PolarHBondContact O-N 3.05Å; S71-T88 PolarHBondContact OG-O 3.42Å; S71-T88 VanDerWaalsContact OG-O 3.09Å; S71-T88 PolarHBondContact OG-OG1 3.13Å
72L94.8Very high92.8Very high61 Ų6167.9 Ų67.932%0.31939%0.391SS..EExtended strand (participates in β ladder)trans-79124.2174.4-175.261.7000109.1F37 V39 S76 L85F37-L72 HydrophobicContact CB-CD1 4.03Å; F37-L72 HydrophobicContact CB-CD2 4.43Å; F37-L72 HydrophobicContact CD1-CB 3.77Å; F37-L72 HydrophobicContact CD1-CD1 4.27Å; F37-L72 HydrophobicContact CD1-CG 4.45Å; F37-L72 HydrophobicContact CD2-CD1 4.44Å; F37-L72 HydrophobicContact CE1-CB 3.99Å; F37-L72 HydrophobicContact CG-CB 4.39Å; F37-L72 HydrophobicContact CG-CD1 4.02Å; V39-L72 HydrophobicContact CG2-CD1 3.98Å; V39-L72 HydrophobicContact CG2-CD2 3.96Å; L72-S76 WeakPolarHBondContact CD1-OG 3.44Å; L72-L85 HydrophobicContact CD1-CD1 3.6Å
73S92.9Very high92.9Very high16 Ų1663.1 Ų63.111%0.11237%0.367CS..  trans-74.7141176.61800000110.5L75 S76 V86S73-L75 PolarHBondContact O-N 3.38Å; S73-L75 VanDerWaalsContact O-N 3.08Å; S73-L75 PolarHBondContact OG-N 3.24Å; S73-S76 VanDerWaalsContact O-CB 3.31Å; S73-S76 WeakPolarHBondContact O-CB 3.22Å; S73-S76 PolarHBondContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.41Å; S73-V86 WeakPolarHBondContact CB-O 3.44Å; S73-V86 PolarHBondContact N-O 3.21Å
74P91.9Very high93Very high130 Ų13064.7 Ų64.784%0.84438%0.375SS*.THydrogen-bonded Turntrans-64.7-10.5174.628.6-36.8000113.4S76P74-S76 PolarHBondContact O-N 3.41Å
75L92.4Very high93.1Very high113 Ų11361.2 Ų61.259%0.59235%0.352SS*.THydrogen-bonded Turntrans-72.1-15.1172.3-61.2178.6000112.8S73 K77 L84 V86S73-L75 PolarHBondContact O-N 3.38Å; S73-L75 VanDerWaalsContact O-N 3.08Å; S73-L75 PolarHBondContact OG-N 3.24Å; L75-K77 PolarHBondContact O-N 2.93Å; L75-L84 WeakPolarHBondContact O-CD2 3.17Å; L75-V86 HydrophobicContact CB-CB 4.44Å; L75-V86 HydrophobicContact CB-CG2 4.29Å
76S94.3Very high93.3Very high13 Ų1361 Ų619%0.09135%0.352CS..  trans-66.5124176.6-55.60000110.4V39 L72 S73 P74 L84 V86V39-S76 WeakPolarHBondContact CG1-O 3.44Å; L72-S76 WeakPolarHBondContact CD1-OG 3.44Å; S73-S76 VanDerWaalsContact O-CB 3.31Å; S73-S76 WeakPolarHBondContact O-CB 3.22Å; S73-S76 PolarHBondContact O-N 3.08Å; S73-S76 PolarHBondContact O-OG 3.41Å; P74-S76 PolarHBondContact O-N 3.41Å; S76-L84 CarbonylContact C-O 3.48Å; S76-L84 WeakPolarHBondContact CA-O 3.35Å; S76-V86 PolarHBondContact OG-N 3.24Å; S76-V86 PolarHBondContact OG-O 2.92Å
77K94.7Very high93.4Very high139 Ų13959 Ų5960%0.60434%0.338SS*.EExtended strand (participates in β ladder)trans-148.8155.4-176.662.9-176.4179.5-177.70111L75 S83 L84L75-K77 PolarHBondContact O-N 2.93Å; K77-S83 CarbonylContact O-C 3.59Å; K77-S83 WeakPolarHBondContact O-CA 3.46Å; K77-L84 HydrophobicContact CG-CB 4.19Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 2.89Å
78C91.7Very high93.7Very high47 Ų4759.9 Ų59.932%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-118.2151.7173.959.80000110C42C42-C78 HydrophobicContact CB-CB 3.74Å; C42-C78 WeakPolarHBondContact CB-SG 3.44Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 1.99Å; C42-C78 PolarHBondContact SG-SG 2.96Å
79S91.9Very high94Very high75 Ų7554.6 Ų54.652%0.52431%0.305SS..  trans-146.1169.7171-178.60000107.2L81 K82 F182S79-L81 PolarHBondContact O-N 2.92Å; S79-K82 CarbonylContact C-O 3.57Å; S79-K82 WeakPolarHBondContact CA-O 3.23Å; S79-K82 WeakPolarHBondContact CB-O 3.2Å; S79-K82 PolarHBondContact N-O 2.74Å; S79-F182 WeakPolarHBondContact O-CE1 3.46Å
80D89.9Confident94.1Very high138 Ų13856.5 Ų56.574%0.73832%0.318SS*.SBendtrans-66-25.1-174-58.4-49.2000113.7
81L93.3Very high94Very high116 Ų11661.6 Ų61.661%0.60735%0.345SS*.SBendtrans-112.5-29-177-62.9178.3000113.6S79 S105 K106S79-L81 PolarHBondContact O-N 2.92Å; L81-S105 WeakPolarHBondContact O-CA 3.38Å; L81-K106 PolarHBondContact O-N 3.45Å
82K95Very high93.8Very high118 Ų11859.4 Ų59.451%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-138.1138.5-177.5-66.9-170.4177.8-170.80110.3S79 F104S79-K82 CarbonylContact C-O 3.57Å; S79-K82 WeakPolarHBondContact CA-O 3.23Å; S79-K82 WeakPolarHBondContact CB-O 3.2Å; S79-K82 PolarHBondContact N-O 2.74Å; K82-F104 CarbonylContact C-O 3.48Å; K82-F104 VanDerWaalsContact CA-O 3.27Å; K82-F104 WeakPolarHBondContact CA-O 3.35Å
83S95.3Very high93.5Very high2 Ų261.4 Ų61.41%0.01434%0.34CS..EExtended strand (participates in β ladder)trans-130.8145.3169.855.90000110K77 T103 F104 P181K77-S83 CarbonylContact O-C 3.59Å; K77-S83 WeakPolarHBondContact O-CA 3.46Å; S83-T103 CarbonylContact O-C 3.57Å; S83-T103 WeakPolarHBondContact O-CA 3.2Å; S83-F104 PolarHBondContact N-O 3.35Å; S83-F104 PolarHBondContact O-N 3.48Å; S83-P181 WeakPolarHBondContact CB-O 3.47Å; S83-P181 WeakPolarHBondContact OG-CB 3.41Å; S83-P181 PolarHBondContact OG-O 2.84Å; S83-P181 VanDerWaalsContact OG-O 3.06Å
84L96.1Very high93.2Very high35 Ų3562.7 Ų62.718%0.18335%0.345CS..EExtended strand (participates in β ladder)trans-125.4120.7-172.6174.363.4000107.4L75 S76 K77 V86 S101 L102 T103L75-L84 WeakPolarHBondContact O-CD2 3.17Å; S76-L84 CarbonylContact C-O 3.48Å; S76-L84 WeakPolarHBondContact CA-O 3.35Å; K77-L84 HydrophobicContact CG-CB 4.19Å; K77-L84 PolarHBondContact N-O 3.34Å; K77-L84 PolarHBondContact O-N 2.89Å; L84-V86 HydrophobicContact CD1-CG2 3.82Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 3.84Å; L84-S101 WeakPolarHBondContact CD1-OG 2.94Å; L84-L102 WeakPolarHBondContact CA-O 3.37Å; L84-T103 WeakPolarHBondContact CD1-OG1 3.49Å
85L96.3Very high93.3Very high0 Ų056.6 Ų56.60%031%0.305CS..EExtended strand (participates in β ladder)trans-111.5121.317217466.5000108.2F37 V39 L43 F45 L72 F87 S101 L102 F104F37-L85 HydrophobicContact CB-CD1 4.47Å; F37-L85 HydrophobicContact CD2-CD1 4.49Å; V39-L85 HydrophobicContact CG2-CD1 4.02Å; L43-L85 HydrophobicContact CD1-CB 4.21Å; L43-L85 HydrophobicContact CD2-CB 4.22Å; L43-L85 HydrophobicContact CD2-CD1 3.98Å; L43-L85 HydrophobicContact CD2-CD2 4.33Å; L43-L85 HydrophobicContact CD2-CG 4.41Å; F45-L85 HydrophobicContact CB-CD2 3.62Å; F45-L85 HydrophobicContact CD1-CD2 4.31Å; F45-L85 HydrophobicContact CD2-CD2 3.48Å; F45-L85 VanDerWaalsContact CD2-CD2 3.48Å; F45-L85 HydrophobicContact CE2-CD2 4.18Å; F45-L85 HydrophobicContact CG-CD2 3.55Å; L72-L85 HydrophobicContact CD1-CD1 3.6Å; L85-F87 HydrophobicContact CD2-CD1 4.36Å; L85-F87 HydrophobicContact CG-CD1 4.25Å; L85-S101 CarbonylContact O-C 3.56Å; L85-S101 WeakPolarHBondContact O-CA 3.44Å; L85-L102 HydrophobicContact CB-CB 4.44Å; L85-L102 HydrophobicContact CD2-CD1 4.4Å; L85-L102 PolarHBondContact N-O 2.93Å; L85-L102 PolarHBondContact O-N 3.07Å; L85-F104 HydrophobicContact CB-CE2 4.14Å
86V96.9Very high93.3Very high6 Ų652.4 Ų52.44%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-125.3122.4176.2-1770000108.2S73 L75 S76 L84 N99 V100S73-V86 WeakPolarHBondContact CB-O 3.44Å; S73-V86 PolarHBondContact N-O 3.21Å; L75-V86 HydrophobicContact CB-CB 4.44Å; L75-V86 HydrophobicContact CB-CG2 4.29Å; S76-V86 PolarHBondContact OG-N 3.24Å; S76-V86 PolarHBondContact OG-O 2.92Å; L84-V86 HydrophobicContact CD1-CG2 3.82Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 3.84Å; V86-N99 WeakPolarHBondContact CG1-OD1 3.23Å; V86-V100 WeakPolarHBondContact CA-O 3.43Å
87F96.4Very high93.4Very high0 Ų054.9 Ų54.90%030%0.297CS..EExtended strand (participates in β ladder)trans-129.6147.1175.361.7-94.3000110.8F37 I50 L70 S71 L85 V100 L102 F174F37-F87 HydrophobicContact CD2-CB 4.24Å; F37-F87 HydrophobicContact CE2-CB 3.45Å; F37-F87 VanDerWaalsContact CE2-CB 3.45Å; F37-F87 HydrophobicContact CE2-CD1 4.22Å; F37-F87 HydrophobicContact CE2-CD2 4.43Å; F37-F87 AromaticContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CE2-CG 3.81Å; F37-F87 HydrophobicContact CZ-CB 3.82Å; I50-F87 HydrophobicContact CD1-CE2 4.21Å; I50-F87 HydrophobicContact CD1-CZ 4.33Å; L70-F87 HydrophobicContact CD2-CD2 3.58Å; L70-F87 HydrophobicContact CD2-CE2 4.05Å; S71-F87 WeakPolarHBondContact O-CA 3.01Å; L85-F87 HydrophobicContact CD2-CD1 4.36Å; L85-F87 HydrophobicContact CG-CD1 4.25Å; F87-V100 HydrophobicContact CD1-CB 4.36Å; F87-V100 HydrophobicContact CD2-CB 4.15Å; F87-V100 HydrophobicContact CD2-CG2 4.45Å; F87-V100 HydrophobicContact CE1-CB 3.84Å; F87-V100 HydrophobicContact CE1-CG1 3.81Å; F87-V100 HydrophobicContact CE2-CB 3.62Å; F87-V100 HydrophobicContact CE2-CG1 4.26Å; F87-V100 HydrophobicContact CE2-CG2 3.71Å; F87-V100 HydrophobicContact CZ-CB 3.45Å; F87-V100 VanDerWaalsContact CZ-CB 3.45Å; F87-V100 HydrophobicContact CZ-CG1 3.57Å; F87-V100 HydrophobicContact CZ-CG2 3.86Å; F87-V100 PolarHBondContact N-O 3.16Å; F87-V100 PolarHBondContact O-N 3.45Å; F87-L102 HydrophobicContact CE1-CD1 4.43Å; F87-F174 HydrophobicContact CZ-CE1 4.28Å; F87-F174 HydrophobicContact CZ-CZ 4.48Å
88T96.3Very high93.4Very high40 Ų4048.4 Ų48.425%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-126.8148.5-173.746.10000110.9L70 S71 L98 N99L70-T88 WeakPolarHBondContact CA-O 3.33Å; S71-T88 PolarHBondContact N-O 2.92Å; S71-T88 PolarHBondContact O-N 3.05Å; S71-T88 PolarHBondContact OG-O 3.42Å; S71-T88 VanDerWaalsContact OG-O 3.09Å; S71-T88 PolarHBondContact OG-OG1 3.13Å; T88-L98 CarbonylContact C-O 3.54Å; T88-L98 WeakPolarHBondContact CA-O 3.37Å; T88-N99 HydrophobicContact CG2-CB 3.85Å
89S95Very high93.7Very high5 Ų548.6 Ų48.64%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-135.8143.2170.61710000109.3S69 V92 L98S69-S89 WeakPolarHBondContact CB-OG 2.98Å; S69-S89 VanDerWaalsContact O-CA 3.29Å; S69-S89 WeakPolarHBondContact O-CA 3.42Å; S69-S89 PolarHBondContact OG-OG 3.16Å; S89-V92 VanDerWaalsContact OG-CG2 3.24Å; S89-V92 WeakPolarHBondContact OG-CG2 2.95Å; S89-L98 PolarHBondContact N-O 3.11Å; S89-L98 PolarHBondContact O-N 3.13Å
90S93.4Very high93.9Very high61 Ų6145 Ų4543%0.42724%0.242SC..EExtended strand (participates in β ladder)trans-127.4142-176.257.60000111S96S90-S96 CarbonylContact C-O 3.55Å; S90-S96 WeakPolarHBondContact CA-O 3.33Å
91N90.8Very high94.2Very high124 Ų12439.5 Ų39.566%0.66321%0.214SC*.EExtended strand (participates in β ladder)trans54.459.6173.2-58.7-61.4000113.8S96N91-S96 PolarHBondContact N-O 3.1Å
92V90.2Very high94.3Very high8 Ų834.1 Ų34.15%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-117.5105.7177.7-177.30000110.5V63 P64 I65 P66 S69 S89 E94 I95V63-V92 HydrophobicContact CG1-CG1 4.15Å; P64-V92 WeakPolarHBondContact O-CG1 3.49Å; I65-V92 HydrophobicContact CD1-CB 4.28Å; I65-V92 HydrophobicContact CD1-CG1 3.9Å; P66-V92 HydrophobicContact CG-CG2 4.48Å; S69-V92 WeakPolarHBondContact OG-CG2 3.37Å; S89-V92 VanDerWaalsContact OG-CG2 3.24Å; S89-V92 WeakPolarHBondContact OG-CG2 2.95Å; V92-E94 PolarHBondContact O-N 3.27Å; V92-I95 CarbonylContact C-O 3.56Å; V92-I95 PolarHBondContact N-O 2.91Å; V92-I95 PolarHBondContact O-N 3.46Å
93N88.6Confident94.4Very high103 Ų10329.5 Ų29.555%0.55117%0.168SC*.THydrogen-bonded Turntrans54.9-108.5175-57.3-53.2000113V63 Q123V63-N93 HydrophobicContact CG1-CB 3.88Å; N93-Q123 PolarHBondContact O-OE1 2.79Å
94E87.7Confident94.4Very high43 Ų4329.5 Ų29.520%0.20117%0.167CC..THydrogen-bonded Turntrans-85.3-8179.3-66.4-176.8-120.200113.1S61 V92 Q123 S128 C129S61-E94 WeakPolarHBondContact CB-OE1 3.46Å; S61-E94 PolarHBondContact OG-OE1 2.92Å; V92-E94 PolarHBondContact O-N 3.27Å; E94-Q123 PolarHBondContact O-N 2.92Å; E94-S128 VanDerWaalsContact CD-OG 3.29Å; E94-S128 PolarHBondContact OE1-OG 3.41Å; E94-S128 PolarHBondContact OE2-N 2.83Å; E94-S128 PolarHBondContact OE2-OG 3.13Å; E94-C129 HydrophobicContact CB-CB 4.12Å
95I92.5Very high94.4Very high3 Ų329 Ų292%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-109.1122-172.6-59.7170.9000109.5V52 V63 I65 V92 D97 L98 I120V52-I95 HydrophobicContact CB-CD1 4.04Å; V52-I95 HydrophobicContact CG1-CD1 4.21Å; V52-I95 HydrophobicContact CG2-CD1 4.12Å; V63-I95 HydrophobicContact CB-CD1 4.36Å; V63-I95 HydrophobicContact CG1-CD1 4.1Å; I65-I95 HydrophobicContact CD1-CD1 4.4Å; V92-I95 CarbonylContact C-O 3.56Å; V92-I95 PolarHBondContact N-O 2.91Å; V92-I95 PolarHBondContact O-N 3.46Å; I95-D97 WeakPolarHBondContact CG2-O 3.42Å; I95-L98 HydrophobicContact CG2-CB 4.04Å; I95-I120 HydrophobicContact CG1-CG2 4.23Å; I95-I120 HydrophobicContact CG2-CG2 4.07Å
96S93.7Very high94.4Very high24 Ų2433.2 Ų33.217%0.16819%0.185CC..EExtended strand (participates in β ladder)trans-81.2-48.8175.552.90000111.7S90 N91 K121 C122S90-S96 CarbonylContact C-O 3.55Å; S90-S96 WeakPolarHBondContact CA-O 3.33Å; N91-S96 PolarHBondContact N-O 3.1Å; S96-K121 PolarHBondContact N-O 3.39Å; S96-K121 VanDerWaalsContact OG-CB 3.27Å; S96-K121 WeakPolarHBondContact OG-CB 3.4Å; S96-K121 PolarHBondContact OG-O 3.4Å; S96-C122 PolarHBondContact OG-O 3.15Å
97D95.2Very high94.2Very high65 Ų6537.2 Ų37.235%0.34821%0.214SC..EExtended strand (participates in β ladder)trans-132.7132.2175.3-64.8-40.6000110.2I95 I120 K121I95-D97 WeakPolarHBondContact CG2-O 3.42Å; D97-I120 CarbonylContact O-C 3.55Å; D97-I120 WeakPolarHBondContact O-CA 3.35Å; D97-K121 HydrophobicContact CB-CB 4.08Å; D97-K121 HydrophobicContact CB-CD 4.26Å; D97-K121 HydrophobicContact CB-CG 4.24Å; D97-K121 PolarHBondContact N-O 3.19Å; D97-K121 PolarHBondContact O-N 3.1Å; D97-K121 WeakPolarHBondContact OD2-CD 3.48Å; D97-K121 IonicContact OD2-NZ 3.18Å; D97-K121 PolarHBondContact OD2-NZ 2.78Å
98L96Very high94Very high4 Ų440.3 Ų40.32%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-121.3130.3169.7174.565.8000108.6V52 I65 T88 S89 I95 V100 V118 I120V52-L98 HydrophobicContact CG2-CD2 4.14Å; I65-L98 HydrophobicContact CD1-CD2 4.07Å; I65-L98 HydrophobicContact CG1-CD2 4.04Å; T88-L98 CarbonylContact C-O 3.54Å; T88-L98 WeakPolarHBondContact CA-O 3.37Å; S89-L98 PolarHBondContact N-O 3.11Å; S89-L98 PolarHBondContact O-N 3.13Å; I95-L98 HydrophobicContact CG2-CB 4.04Å; L98-V100 HydrophobicContact CD1-CG2 3.98Å; L98-V100 HydrophobicContact CG-CG2 4.18Å; L98-V118 HydrophobicContact CD1-CG2 3.77Å; L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD1-CG1 3.56Å
99N96.5Very high93.8Very high50 Ų5047.5 Ų47.527%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-132.7126.3170.9-172.5-23.8000108.8V86 T88 V118 S119V86-N99 WeakPolarHBondContact CG1-OD1 3.23Å; T88-N99 HydrophobicContact CG2-CB 3.85Å; N99-V118 CarbonylContact O-C 3.59Å; N99-V118 VanDerWaalsContact O-CA 3.28Å; N99-V118 WeakPolarHBondContact O-CA 3.49Å; N99-V118 WeakPolarHBondContact O-CG2 3.44Å; N99-S119 VanDerWaalsContact CB-OG 3.31Å; N99-S119 WeakPolarHBondContact CB-OG 3.33Å; N99-S119 PolarHBondContact N-O 3.33Å; N99-S119 PolarHBondContact O-N 3.39Å
100V96.8Very high93.8Very high1 Ų152.5 Ų52.51%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-122.1126.8178.2-178.50000108.4V86 F87 L98 L102 V118 L137 I172V86-V100 WeakPolarHBondContact CA-O 3.43Å; F87-V100 HydrophobicContact CD1-CB 4.36Å; F87-V100 HydrophobicContact CD2-CB 4.15Å; F87-V100 HydrophobicContact CD2-CG2 4.45Å; F87-V100 HydrophobicContact CE1-CB 3.84Å; F87-V100 HydrophobicContact CE1-CG1 3.81Å; F87-V100 HydrophobicContact CE2-CB 3.62Å; F87-V100 HydrophobicContact CE2-CG1 4.26Å; F87-V100 HydrophobicContact CE2-CG2 3.71Å; F87-V100 HydrophobicContact CZ-CB 3.45Å; F87-V100 VanDerWaalsContact CZ-CB 3.45Å; F87-V100 HydrophobicContact CZ-CG1 3.57Å; F87-V100 HydrophobicContact CZ-CG2 3.86Å; F87-V100 PolarHBondContact N-O 3.16Å; F87-V100 PolarHBondContact O-N 3.45Å; L98-V100 HydrophobicContact CD1-CG2 3.98Å; L98-V100 HydrophobicContact CG-CG2 4.18Å; V100-L102 HydrophobicContact CG1-CD2 4.22Å; V100-L102 HydrophobicContact CG1-CG 4.3Å; V100-V118 HydrophobicContact CG2-CG2 4.06Å; V100-L137 HydrophobicContact CG1-CD1 4.05Å; V100-I172 HydrophobicContact CG1-CD1 4.32Å; V100-I172 HydrophobicContact CG2-CD1 3.72Å
101S96.1Very high93.9Very high21 Ų2149.7 Ų49.715%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-116.7126.2177.9178.50000109.7L84 L85 S116 S117L84-S101 WeakPolarHBondContact CD1-OG 2.94Å; L85-S101 CarbonylContact O-C 3.56Å; L85-S101 WeakPolarHBondContact O-CA 3.44Å; S101-S116 CarbonylContact O-C 3.54Å; S101-S116 WeakPolarHBondContact O-CA 3.45Å; S101-S117 PolarHBondContact N-O 2.9Å; S101-S117 PolarHBondContact O-N 2.89Å
102L96.5Very high94.2Very high3 Ų345.7 Ų45.72%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-123.3115.6177.1-56.9-178.7000108.7F45 L84 L85 F87 V100 F104 I139F45-L102 HydrophobicContact CE2-CD1 4.47Å; L84-L102 WeakPolarHBondContact CA-O 3.37Å; L85-L102 HydrophobicContact CB-CB 4.44Å; L85-L102 HydrophobicContact CD2-CD1 4.4Å; L85-L102 PolarHBondContact N-O 2.93Å; L85-L102 PolarHBondContact O-N 3.07Å; F87-L102 HydrophobicContact CE1-CD1 4.43Å; V100-L102 HydrophobicContact CG1-CD2 4.22Å; V100-L102 HydrophobicContact CG1-CG 4.3Å; L102-F104 HydrophobicContact CB-CE2 3.78Å; L102-F104 HydrophobicContact CB-CZ 3.81Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å; L102-I139 HydrophobicContact CD2-CD1 3.3Å
103T96.3Very high94.4Very high21 Ų2146.4 Ų46.413%0.12925%0.253CS..EExtended strand (participates in β ladder)trans-103.9121.4174.2-52.10000108.9S83 L84 V113 S114 E115S83-T103 CarbonylContact O-C 3.57Å; S83-T103 WeakPolarHBondContact O-CA 3.2Å; L84-T103 WeakPolarHBondContact CD1-OG1 3.49Å; T103-V113 CarbonylContact O-C 3.33Å; T103-V113 WeakPolarHBondContact O-CA 3.34Å; T103-S114 PolarHBondContact O-N 3.07Å; T103-S114 PolarHBondContact O-OG 3.07Å; T103-E115 WeakPolarHBondContact CA-O 3.32Å; T103-E115 WeakPolarHBondContact CB-O 3.5Å; T103-E115 PolarHBondContact N-O 3.27Å; T103-E115 PolarHBondContact O-N 3.29Å
104F96.2Very high94.7Very high2 Ų243.9 Ų43.91%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-101.9138.5174.2-51.4-89.5000108.7L43 K82 S83 L85 L102 W111 S112 V113 V179 P181 F182L43-F104 HydrophobicContact CD1-CD2 4.17Å; L43-F104 HydrophobicContact CD1-CE2 4.25Å; K82-F104 CarbonylContact C-O 3.48Å; K82-F104 VanDerWaalsContact CA-O 3.27Å; K82-F104 WeakPolarHBondContact CA-O 3.35Å; S83-F104 PolarHBondContact N-O 3.35Å; S83-F104 PolarHBondContact O-N 3.48Å; L85-F104 HydrophobicContact CB-CE2 4.14Å; L102-F104 HydrophobicContact CB-CE2 3.78Å; L102-F104 HydrophobicContact CB-CZ 3.81Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å; F104-W111 AromaticContact CD1-CE3 3.99Å; F104-W111 HydrophobicContact CD1-CE3 3.99Å; F104-W111 AromaticContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CE1-CZ3 4.18Å; F104-S112 CarbonylContact C-O 3.48Å; F104-S112 WeakPolarHBondContact CA-O 3.43Å; F104-V113 HydrophobicContact CD1-CG2 3.52Å; F104-V113 HydrophobicContact CE1-CG2 3.31Å; F104-V113 HydrophobicContact CZ-CG2 4.21Å; F104-V179 HydrophobicContact CE1-CG2 3.96Å; F104-V179 HydrophobicContact CE2-CG2 4.3Å; F104-V179 HydrophobicContact CZ-CG2 3.67Å; F104-P181 HydrophobicContact CB-CB 3.59Å; F104-P181 HydrophobicContact CB-CG 3.88Å; F104-P181 HydrophobicContact CD1-CB 4.09Å; F104-P181 HydrophobicContact CD1-CG 3.88Å; F104-P181 HydrophobicContact CD2-CB 3.72Å; F104-P181 HydrophobicContact CD2-CG 4.41Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CG-CB 3.52Å; F104-P181 HydrophobicContact CG-CG 3.79Å; F104-F182 HydrophobicContact CB-CE2 4.03Å; F104-F182 HydrophobicContact CB-CZ 4.35Å
105S95.8Very high95Very high25 Ų2547.7 Ų47.718%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-127.6144.3176.7750000110.3L81 W111 S112 S114L81-S105 WeakPolarHBondContact O-CA 3.38Å; S105-W111 WeakPolarHBondContact O-CA 3.49Å; S105-W111 WeakPolarHBondContact O-CB 3.1Å; S105-S112 PolarHBondContact N-O 2.99Å; S105-S112 PolarHBondContact O-N 3.29Å; S105-S114 WeakPolarHBondContact OG-CB 3.38Å
106K94.8Very high95.2Very high89 Ų8948.1 Ų48.139%0.38726%0.264SS..EExtended strand (participates in β ladder)trans-90.2123.7173.5177.1172.2171.4-178.40109.8L81 V146 F182L81-K106 PolarHBondContact O-N 3.45Å; K106-V146 HydrophobicContact CD-CG1 3.7Å; K106-V146 HydrophobicContact CG-CG1 3.65Å; K106-F182 HydrophobicContact CB-CE2 4.5Å; K106-F182 HydrophobicContact CB-CZ 4.37Å
107S92.9Very high95.3Very high90 Ų9049 Ų4963%0.62927%0.271SS*.EExtended strand (participates in β ladder)trans-121.7102172.4-171.80000109.5R109 Y110S107-R109 PolarHBondContact O-N 3.35Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-Y110 CarbonylContact C-O 3.51Å; S107-Y110 PolarHBondContact N-O 2.83Å; S107-Y110 PolarHBondContact O-N 2.79Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; S107-Y110 VanDerWaalsContact O-O 3.07Å
108G92.1Very high95.4Very high64 Ų6446 Ų4666%0.6626%0.255SS*.THydrogen-bonded Turntrans62.2-115.1-176.500000112.5
109R93.2Very high95.4Very high191 Ų19147.9 Ų47.972%0.72127%0.268SS*.THydrogen-bonded Turntrans-93.4-3.4-179.6-64.7-162.4-61.4-92.10.9114.2S107 P145 V146S107-R109 PolarHBondContact O-N 3.35Å; S107-R109 VanDerWaalsContact O-N 3.16Å; R109-P145 CarbonylContact O-C 3.57Å; R109-P145 VanDerWaalsContact O-CA 3.3Å; R109-P145 WeakPolarHBondContact O-CA 3.31Å; R109-V146 WeakPolarHBondContact O-CG1 3.33Å; R109-V146 PolarHBondContact O-N 3.42Å
110Y94.9Very high95.3Very high111 Ų11145.6 Ų45.644%0.43526%0.256SS..EExtended strand (participates in β ladder)trans-119.7156.7-177.9-66.4-96.9000110.2S107 A144 P145S107-Y110 CarbonylContact C-O 3.51Å; S107-Y110 PolarHBondContact N-O 2.83Å; S107-Y110 PolarHBondContact O-N 2.79Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; S107-Y110 VanDerWaalsContact O-O 3.07Å; Y110-A144 CarbonylContact C-O 3.56Å; Y110-A144 WeakPolarHBondContact CA-O 3.46Å; Y110-P145 HydrophobicContact CD1-CG 4.16Å; Y110-P145 HydrophobicContact CE1-CG 3.79Å
111W95.6Very high95.3Very high1 Ų151.1 Ų51.10%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-121.3151.2164.661.1-91000109.4F104 S105 A142 E143 A144 P145 L148 V179 P181 F182F104-W111 AromaticContact CD1-CE3 3.99Å; F104-W111 HydrophobicContact CD1-CE3 3.99Å; F104-W111 AromaticContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CD1-CZ3 3.82Å; F104-W111 HydrophobicContact CE1-CZ3 4.18Å; S105-W111 WeakPolarHBondContact O-CA 3.49Å; S105-W111 WeakPolarHBondContact O-CB 3.1Å; W111-A142 HydrophobicContact CZ3-CB 4.41Å; W111-E143 WeakPolarHBondContact O-CA 3.34Å; W111-A144 HydrophobicContact CH2-CB 4.34Å; W111-A144 HydrophobicContact CZ2-CB 3.53Å; W111-A144 PolarHBondContact N-O 2.82Å; W111-A144 PolarHBondContact NE1-O 2.89Å; W111-A144 PolarHBondContact O-N 3.43Å; W111-A144 VanDerWaalsContact O-N 3.13Å; W111-P145 PolarHBondContact NE1-O 3.41Å; W111-P145 VanDerWaalsContact NE1-O 3.15Å; W111-L148 PolarHBondContact NE1-O 2.73Å; W111-V179 HydrophobicContact CH2-CG1 3.91Å; W111-V179 HydrophobicContact CZ3-CG1 4.47Å; W111-P181 HydrophobicContact CD2-CG 3.39Å; W111-P181 HydrophobicContact CE3-CG 3.34Å; W111-P181 HydrophobicContact CG-CG 4.05Å; W111-P181 HydrophobicContact CH2-CG 3.88Å; W111-P181 VanDerWaalsContact CZ2-CD 3.43Å; W111-P181 HydrophobicContact CZ2-CG 3.9Å; W111-P181 HydrophobicContact CZ3-CG 3.61Å; W111-F182 HydrophobicContact CB-CD2 3.73Å; W111-F182 HydrophobicContact CB-CE2 3.6Å; W111-F182 AromaticContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CE2 4.1Å
112S95.7Very high95.2Very high41 Ų4151.1 Ų51.129%0.28728%0.28SS..EExtended strand (participates in β ladder)trans-146.8164.4175.861.30000110.7F104 S105 S114 A142F104-S112 CarbonylContact C-O 3.48Å; F104-S112 WeakPolarHBondContact CA-O 3.43Å; S105-S112 PolarHBondContact N-O 2.99Å; S105-S112 PolarHBondContact O-N 3.29Å; S112-S114 PolarHBondContact O-N 3.41Å; S112-A142 VanDerWaalsContact CA-O 3.32Å; S112-A142 WeakPolarHBondContact CA-O 3.27Å
113V96.1Very high95Very high22 Ų2255.5 Ų55.513%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-67.7114.8168.1173.20000108.7T103 F104 I139 A142T103-V113 CarbonylContact O-C 3.33Å; T103-V113 WeakPolarHBondContact O-CA 3.34Å; F104-V113 HydrophobicContact CD1-CG2 3.52Å; F104-V113 HydrophobicContact CE1-CG2 3.31Å; F104-V113 HydrophobicContact CZ-CG2 4.21Å; V113-I139 HydrophobicContact CB-CG2 4.43Å; V113-I139 HydrophobicContact CG1-CB 4.32Å; V113-I139 HydrophobicContact CG2-CG2 4.2Å; V113-A142 HydrophobicContact CB-CB 4.41Å; V113-A142 HydrophobicContact CG2-CB 3.47Å; V113-A142 VanDerWaalsContact CG2-CB 3.47Å; V113-A142 PolarHBondContact N-O 3.44Å
114S93.8Very high94.5Very high50 Ų5060.4 Ų60.435%0.3534%0.335SS..EExtended strand (participates in β ladder)trans-86.9-44.5178.157.50000112.2T103 S105 S112T103-S114 PolarHBondContact O-N 3.07Å; T103-S114 PolarHBondContact O-OG 3.07Å; S105-S114 WeakPolarHBondContact OG-CB 3.38Å; S112-S114 PolarHBondContact O-N 3.41Å
115E95.1Very high93.9Very high124 Ų12464 Ų6458%0.57937%0.372SS*.EExtended strand (participates in β ladder)trans-140.1135-176.8-65.5172.7-142.300108.1T103T103-E115 WeakPolarHBondContact CA-O 3.32Å; T103-E115 WeakPolarHBondContact CB-O 3.5Å; T103-E115 PolarHBondContact N-O 3.27Å; T103-E115 PolarHBondContact O-N 3.29Å
116S96.1Very high93.4Very high11 Ų1164.5 Ų64.58%0.07738%0.376CS..EExtended strand (participates in β ladder)trans-141.4134.8173.646.70000109.5S101 P136 L137S101-S116 CarbonylContact O-C 3.54Å; S101-S116 WeakPolarHBondContact O-CA 3.45Å; S116-P136 CarbonylContact O-C 3.58Å; S116-P136 WeakPolarHBondContact O-CA 3.39Å; S116-L137 PolarHBondContact O-N 2.99Å; S116-L137 WeakPolarHBondContact OG-CB 3.42Å; S116-L137 PolarHBondContact OG-O 3.4Å
117S95.8Very high92.9Very high44 Ų4469.3 Ų69.331%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-137.1154.7-18063.20000111.5S101 N135S101-S117 PolarHBondContact N-O 2.9Å; S101-S117 PolarHBondContact O-N 2.89Å; S117-N135 CarbonylContact C-O 3.56Å; S117-N135 VanDerWaalsContact CA-O 3.26Å; S117-N135 WeakPolarHBondContact CA-O 2.96Å
118V96.7Very high92.6Very high1 Ų165.3 Ų65.31%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-135.2136.5175.660.80000110.5L98 N99 V100 I120 V132 G134 N135 L137 V160 I172L98-V118 HydrophobicContact CD1-CG2 3.77Å; N99-V118 CarbonylContact O-C 3.59Å; N99-V118 VanDerWaalsContact O-CA 3.28Å; N99-V118 WeakPolarHBondContact O-CA 3.49Å; N99-V118 WeakPolarHBondContact O-CG2 3.44Å; V100-V118 HydrophobicContact CG2-CG2 4.06Å; V118-I120 HydrophobicContact CG2-CD1 4.03Å; V118-I120 HydrophobicContact CG2-CG1 3.9Å; V118-V132 HydrophobicContact CG1-CG1 4.3Å; V118-V132 WeakPolarHBondContact O-CG1 3.17Å; V118-G134 CarbonylContact O-C 3.55Å; V118-G134 WeakPolarHBondContact O-CA 3.37Å; V118-G134 PolarHBondContact O-N 2.64Å; V118-N135 PolarHBondContact N-O 2.87Å; V118-N135 PolarHBondContact O-N 2.84Å; V118-N135 VanDerWaalsContact O-N 3.07Å; V118-L137 HydrophobicContact CB-CD1 4.02Å; V118-L137 HydrophobicContact CB-CD2 4.34Å; V118-L137 HydrophobicContact CB-CG 4.11Å; V118-L137 HydrophobicContact CG1-CD1 4.32Å; V118-L137 HydrophobicContact CG1-CD2 3.79Å; V118-L137 HydrophobicContact CG1-CG 3.85Å; V118-V160 HydrophobicContact CG1-CB 4.43Å; V118-V160 HydrophobicContact CG1-CG1 4.1Å; V118-V160 HydrophobicContact CG1-CG2 3.49Å; V118-V160 VanDerWaalsContact CG1-CG2 3.49Å; V118-I172 HydrophobicContact CB-CD1 4.27Å; V118-I172 HydrophobicContact CG2-CD1 4.02Å
119S95.5Very high92.5Very high43 Ų4363.1 Ų63.130%0.30134%0.343SS..EExtended strand (participates in β ladder)trans-117.3128.4165.272.10000111.2N99 V132N99-S119 VanDerWaalsContact CB-OG 3.31Å; N99-S119 WeakPolarHBondContact CB-OG 3.33Å; N99-S119 PolarHBondContact N-O 3.33Å; N99-S119 PolarHBondContact O-N 3.39Å; S119-V132 CarbonylContact C-O 3.59Å; S119-V132 WeakPolarHBondContact CA-O 3.31Å
120I95.6Very high92.4Very high2 Ų255.5 Ų55.51%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-122.8126.3178.3-68160.7000107.5V52 I95 D97 L98 V118 N131 V132 V170V52-I120 HydrophobicContact CG1-CD1 4.13Å; I95-I120 HydrophobicContact CG1-CG2 4.23Å; I95-I120 HydrophobicContact CG2-CG2 4.07Å; D97-I120 CarbonylContact O-C 3.55Å; D97-I120 WeakPolarHBondContact O-CA 3.35Å; L98-I120 HydrophobicContact CD1-CD1 4.2Å; L98-I120 HydrophobicContact CD1-CG1 3.56Å; V118-I120 HydrophobicContact CG2-CD1 4.03Å; V118-I120 HydrophobicContact CG2-CG1 3.9Å; I120-N131 CarbonylContact O-C 3.55Å; I120-N131 WeakPolarHBondContact O-CA 3.38Å; I120-V132 HydrophobicContact CB-CB 4.09Å; I120-V132 HydrophobicContact CB-CG2 4.18Å; I120-V132 HydrophobicContact CD1-CG2 4.2Å; I120-V132 PolarHBondContact N-O 2.91Å; I120-V132 PolarHBondContact O-N 2.99Å; I120-V170 HydrophobicContact CD1-CG1 3.76Å
121K95.5Very high92.2Very high117 Ų11755.3 Ų55.351%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-106.2135.4162.3-60.4-173.1-158.7148.30108.7S96 D97 N131S96-K121 PolarHBondContact N-O 3.39Å; S96-K121 VanDerWaalsContact OG-CB 3.27Å; S96-K121 WeakPolarHBondContact OG-CB 3.4Å; S96-K121 PolarHBondContact OG-O 3.4Å; D97-K121 HydrophobicContact CB-CB 4.08Å; D97-K121 HydrophobicContact CB-CD 4.26Å; D97-K121 HydrophobicContact CB-CG 4.24Å; D97-K121 PolarHBondContact N-O 3.19Å; D97-K121 PolarHBondContact O-N 3.1Å; D97-K121 WeakPolarHBondContact OD2-CD 3.48Å; D97-K121 IonicContact OD2-NZ 3.18Å; D97-K121 PolarHBondContact OD2-NZ 2.78Å; K121-N131 WeakPolarHBondContact CA-OD1 3.26Å
122C94.1Very high92.1Very high22 Ų2255.4 Ų55.415%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-90.1155.4-179.6-58.60000111.6S96 C129 V130 N131S96-C122 PolarHBondContact OG-O 3.15Å; C122-C129 VanDerWaalsContact CA-SG 3.55Å; C122-C129 HydrophobicContact CB-CB 3.69Å; C122-C129 WeakPolarHBondContact CB-SG 3.5Å; C122-C129 WeakPolarHBondContact SG-CB 3.28Å; C122-C129 CovalentContact SG-SG 2.03Å; C122-C129 PolarHBondContact SG-SG 2.87Å; C122-V130 PolarHBondContact SG-N 3.06Å; C122-V130 PolarHBondContact SG-O 1.99Å; C122-V130 VanDerWaalsContact SG-O 3.41Å; C122-N131 PolarHBondContact N-OD1 3.32Å
123Q92.2Very high91.9Very high95 Ų9559 Ų5944%0.44435%0.347SS..PPolyproline II helixtrans-80.3146.5171.6-172.9167.2-34.400110.7N93 E94 G125 S126N93-Q123 PolarHBondContact O-OE1 2.79Å; E94-Q123 PolarHBondContact O-N 2.92Å; Q123-G125 PolarHBondContact O-N 2.91Å; Q123-S126 WeakPolarHBondContact O-CB 3.36Å; Q123-S126 PolarHBondContact O-N 3.14Å; Q123-S126 VanDerWaalsContact O-N 3.15Å; Q123-S126 PolarHBondContact O-OG 3.23Å
124S86.4Confident91.7Very high124 Ų12459.7 Ų59.787%0.86736%0.359SS*.THydrogen-bonded Turntrans-55.6122.1176.4-59.50000111.3
125G84.6Confident91.8Very high76 Ų7658.6 Ų58.678%0.78435%0.349SS*.THydrogen-bonded Turntrans95.51.1179.900000115.8Q123 K127Q123-G125 PolarHBondContact O-N 2.91Å; G125-K127 PolarHBondContact O-N 2.89Å
126S84.6Confident91.8Very high36 Ų3655.8 Ų55.825%0.25234%0.342SS..  trans-61.3133.2172.962.50000111.6Q123Q123-S126 WeakPolarHBondContact O-CB 3.36Å; Q123-S126 PolarHBondContact O-N 3.14Å; Q123-S126 VanDerWaalsContact O-N 3.15Å; Q123-S126 PolarHBondContact O-OG 3.23Å
127K84.2Confident91.7Very high190 Ų19055.6 Ų55.683%0.82634%0.34SS*.SBendtrans-91.4-27.8-178.5-65.4-179.3-178.3176.20113.5G125G125-K127 PolarHBondContact O-N 2.89Å
128S86.6Confident91.7Very high6 Ų654.9 Ų54.94%0.04234%0.337CS..SBendtrans-112.2-19.7-17475.90000113.6S61 E94S61-S128 WeakPolarHBondContact CB-OG 3.2Å; E94-S128 VanDerWaalsContact CD-OG 3.29Å; E94-S128 PolarHBondContact OE1-OG 3.41Å; E94-S128 PolarHBondContact OE2-N 2.83Å; E94-S128 PolarHBondContact OE2-OG 3.13Å
129C89.8Confident91.6Very high18 Ų1855.9 Ų55.912%0.12234%0.342CS..  trans-76.2137.8-177.8-172.20000112.3L54 E94 C122L54-C129 HydrophobicContact CD2-CB 3.9Å; E94-C129 HydrophobicContact CB-CB 4.12Å; C122-C129 VanDerWaalsContact CA-SG 3.55Å; C122-C129 HydrophobicContact CB-CB 3.69Å; C122-C129 WeakPolarHBondContact CB-SG 3.5Å; C122-C129 WeakPolarHBondContact SG-CB 3.28Å; C122-C129 CovalentContact SG-SG 2.03Å; C122-C129 PolarHBondContact SG-SG 2.87Å
130V90.4Very high91.1Very high32 Ų3263.2 Ų63.219%0.19437%0.368CS..  trans-122.4137.3174.361.20000109.2C122 V132 F162 Y168 V170C122-V130 PolarHBondContact SG-N 3.06Å; C122-V130 PolarHBondContact SG-O 1.99Å; C122-V130 VanDerWaalsContact SG-O 3.41Å; V130-V132 HydrophobicContact CG1-CG2 4.41Å; V130-V132 PolarHBondContact O-N 3.06Å; V130-F162 HydrophobicContact CG1-CZ 4.49Å; V130-Y168 HydrophobicContact CB-CG 4.48Å; V130-Y168 HydrophobicContact CG2-CD2 4.44Å; V130-Y168 HydrophobicContact CG2-CG 4.46Å; V130-V170 HydrophobicContact CG1-CG2 3.57Å
131N92.4Very high90.8Very high106 Ų10664.4 Ų64.457%0.56737%0.373SS*.  trans-67.4128.3176.1-68.3-45.7000109.7I120 K121 C122I120-N131 CarbonylContact O-C 3.55Å; I120-N131 WeakPolarHBondContact O-CA 3.38Å; K121-N131 WeakPolarHBondContact CA-OD1 3.26Å; C122-N131 PolarHBondContact N-OD1 3.32Å
132V92.8Very high90.5Very high4 Ų459 Ų592%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-115.5110179.3-175.60000108.4V118 S119 I120 V130 G134 N135 V160 F162 V170V118-V132 HydrophobicContact CG1-CG1 4.3Å; V118-V132 WeakPolarHBondContact O-CG1 3.17Å; S119-V132 CarbonylContact C-O 3.59Å; S119-V132 WeakPolarHBondContact CA-O 3.31Å; I120-V132 HydrophobicContact CB-CB 4.09Å; I120-V132 HydrophobicContact CB-CG2 4.18Å; I120-V132 HydrophobicContact CD1-CG2 4.2Å; I120-V132 PolarHBondContact N-O 2.91Å; I120-V132 PolarHBondContact O-N 2.99Å; V130-V132 HydrophobicContact CG1-CG2 4.41Å; V130-V132 PolarHBondContact O-N 3.06Å; V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 2.8Å; V132-G134 VanDerWaalsContact O-N 3.12Å; V132-N135 HydrophobicContact CG1-CB 3.62Å; V132-N135 WeakPolarHBondContact CG1-OD1 3.43Å; V132-V160 HydrophobicContact CG1-CG1 3.93Å; V132-F162 HydrophobicContact CG1-CE1 4.44Å; V132-F162 HydrophobicContact CG2-CE1 4.04Å; V132-F162 HydrophobicContact CG2-CZ 3.8Å; V132-V170 HydrophobicContact CG2-CG2 4.36Å
133P91.4Very high90.5Very high116 Ų11663.5 Ų63.575%0.75337%0.369SS*.EExtended strand (participates in β ladder)trans-87.162.3-177.435.7-37.7000112.6N135P133-N135 VanDerWaalsContact CD-OD1 3.31Å; P133-N135 WeakPolarHBondContact CD-OD1 3.34Å
134G92.5Very high90.6Very high37 Ų3759 Ų5938%0.38135%0.348SS..EExtended strand (participates in β ladder)trans77.431.3172.600000114.7V118 V132V118-G134 CarbonylContact O-C 3.55Å; V118-G134 WeakPolarHBondContact O-CA 3.37Å; V118-G134 PolarHBondContact O-N 2.64Å; V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 2.8Å; V132-G134 VanDerWaalsContact O-N 3.12Å
135N94.7Very high90.9Very high26 Ų2654.8 Ų54.814%0.13932%0.318CS..EExtended strand (participates in β ladder)trans-67.3152.6-179.2-72.162.4000112.5S117 V118 V132 P133 V160 I161S117-N135 CarbonylContact C-O 3.56Å; S117-N135 VanDerWaalsContact CA-O 3.26Å; S117-N135 WeakPolarHBondContact CA-O 2.96Å; V118-N135 PolarHBondContact N-O 2.87Å; V118-N135 PolarHBondContact O-N 2.84Å; V118-N135 VanDerWaalsContact O-N 3.07Å; V132-N135 HydrophobicContact CG1-CB 3.62Å; V132-N135 WeakPolarHBondContact CG1-OD1 3.43Å; P133-N135 VanDerWaalsContact CD-OD1 3.31Å; P133-N135 WeakPolarHBondContact CD-OD1 3.34Å; N135-V160 HydrophobicContact CB-CG1 3.49Å; N135-V160 VanDerWaalsContact CB-CG1 3.49Å; N135-I161 PolarHBondContact ND2-O 3.26Å; N135-I161 VanDerWaalsContact ND2-O 3.08Å
136P95.6Very high91.2Very high65 Ų6553 Ų5342%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-71.4142.9178.224.2-26.6000112.4S116 I161S116-P136 CarbonylContact O-C 3.58Å; S116-P136 WeakPolarHBondContact O-CA 3.39Å; P136-I161 HydrophobicContact CB-CD1 4.42Å; P136-I161 HydrophobicContact CG-CB 4.16Å; P136-I161 HydrophobicContact CG-CD1 4.33Å; P136-I161 PolarHBondContact O-N 2.04Å
137L95.4Very high91.4Very high8 Ų855.5 Ų55.54%0.04231%0.309CS..BIsolated β-bridgetrans-93.9141.3170.9-72.8166.5000110V100 S116 V118 I139 V160 I172V100-L137 HydrophobicContact CG1-CD1 4.05Å; S116-L137 PolarHBondContact O-N 2.99Å; S116-L137 WeakPolarHBondContact OG-CB 3.42Å; S116-L137 PolarHBondContact OG-O 3.4Å; V118-L137 HydrophobicContact CB-CD1 4.02Å; V118-L137 HydrophobicContact CB-CD2 4.34Å; V118-L137 HydrophobicContact CB-CG 4.11Å; V118-L137 HydrophobicContact CG1-CD1 4.32Å; V118-L137 HydrophobicContact CG1-CD2 3.79Å; V118-L137 HydrophobicContact CG1-CG 3.85Å; L137-I139 HydrophobicContact CB-CD1 4.47Å; L137-I139 HydrophobicContact CB-CG1 4.33Å; L137-I139 PolarHBondContact O-N 2.86Å; L137-V160 HydrophobicContact CD2-CG2 3.65Å; L137-I172 HydrophobicContact CD1-CD1 3.78Å; L137-I172 HydrophobicContact CD2-CD1 3.91Å; L137-I172 HydrophobicContact CD2-CG1 4.1Å; L137-I172 HydrophobicContact CG-CD1 4.49Å
138A94Very high91.8Very high29 Ų2948.4 Ų48.424%0.2428%0.28CS..  trans-93.791.5171.700000110.5P159 I161A138-P159 HydrophobicContact CB-CG 4Å; A138-P159 PolarHBondContact N-O 2.82Å; A138-I161 HydrophobicContact CB-CD1 4.2Å; A138-I161 HydrophobicContact CB-CG1 4.26Å
139I94.3Very high92.2Very high21 Ų2148.1 Ų48.111%0.10828%0.278CS..  trans-101.6115.8174.8-63.1172.9000108.7L102 V113 L137 W141 A142 A158L102-I139 HydrophobicContact CD2-CD1 3.3Å; V113-I139 HydrophobicContact CB-CG2 4.43Å; V113-I139 HydrophobicContact CG1-CB 4.32Å; V113-I139 HydrophobicContact CG2-CG2 4.2Å; L137-I139 HydrophobicContact CB-CD1 4.47Å; L137-I139 HydrophobicContact CB-CG1 4.33Å; L137-I139 PolarHBondContact O-N 2.86Å; I139-W141 HydrophobicContact CG2-CD2 4.06Å; I139-W141 HydrophobicContact CG2-CG 4.38Å; I139-W141 HydrophobicContact CG2-CH2 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 3.98Å; I139-A142 HydrophobicContact CG2-CB 4.01Å; I139-A158 HydrophobicContact CG1-CB 3.79Å
140K87Confident92.5Very high198 Ų19847.9 Ų47.986%0.86128%0.275SS*.  trans-113.2-1.5-178-64.5-171.6177.3-176.40114.4
141W88.3Confident92.7Very high26 Ų2650.4 Ų50.410%0.09828%0.283CS..SBendtrans-102.5-16.7-171.153.6-106.9000112.9I139 E143 Y150 P155 S156 F174 I177I139-W141 HydrophobicContact CG2-CD2 4.06Å; I139-W141 HydrophobicContact CG2-CG 4.38Å; I139-W141 HydrophobicContact CG2-CH2 4.49Å; I139-W141 HydrophobicContact CG2-CZ2 3.98Å; W141-E143 PolarHBondContact O-N 2.84Å; W141-Y150 HydrophobicContact CD2-CE1 4.33Å; W141-Y150 AromaticContact CE3-CD1 3.86Å; W141-Y150 HydrophobicContact CE3-CD1 3.86Å; W141-Y150 AromaticContact CE3-CE1 3.24Å; W141-Y150 HydrophobicContact CE3-CE1 3.24Å; W141-Y150 AromaticContact CE3-CZ 3.86Å; W141-Y150 AromaticContact CZ3-CD1 3.89Å; W141-Y150 HydrophobicContact CZ3-CD1 3.89Å; W141-Y150 AromaticContact CZ3-CE1 3.67Å; W141-Y150 HydrophobicContact CZ3-CE1 3.67Å; W141-Y150 WeakPolarHBondContact O-CE2 3.43Å; W141-Y150 PolarHBondContact O-OH 2.9Å; W141-P155 HydrophobicContact CD2-CB 3.82Å; W141-P155 HydrophobicContact CE3-CB 4.39Å; W141-P155 HydrophobicContact CG-CB 3.95Å; W141-P155 HydrophobicContact CZ2-CB 4.44Å; W141-S156 VanDerWaalsContact CD1-O 3.26Å; W141-S156 PolarHBondContact NE1-O 2.78Å; W141-S156 VanDerWaalsContact NE1-O 3.16Å; W141-F174 HydrophobicContact CZ2-CD2 4Å; W141-F174 HydrophobicContact CZ2-CE2 4.32Å; W141-I177 HydrophobicContact CE3-CG2 4.45Å; W141-I177 HydrophobicContact CH2-CD1 3.29Å; W141-I177 HydrophobicContact CH2-CG1 4.03Å; W141-I177 HydrophobicContact CH2-CG2 4.09Å; W141-I177 HydrophobicContact CZ2-CD1 3.96Å; W141-I177 HydrophobicContact CZ3-CD1 4.06Å; W141-I177 HydrophobicContact CZ3-CG1 4.32Å; W141-I177 HydrophobicContact CZ3-CG2 3.9Å
142A90.1Very high92.8Very high5 Ų545.5 Ų45.54%0.04126%0.257CS..  trans-91.886.9-173.100000112.1W111 S112 V113 I139W111-A142 HydrophobicContact CZ3-CB 4.41Å; S112-A142 VanDerWaalsContact CA-O 3.32Å; S112-A142 WeakPolarHBondContact CA-O 3.27Å; V113-A142 HydrophobicContact CB-CB 4.41Å; V113-A142 HydrophobicContact CG2-CB 3.47Å; V113-A142 VanDerWaalsContact CG2-CB 3.47Å; V113-A142 PolarHBondContact N-O 3.44Å; I139-A142 HydrophobicContact CG2-CB 4.01Å
143E92.9Very high92.8Very high115 Ų11548.8 Ų48.854%0.53728%0.277SS..EExtended strand (participates in β ladder)trans-142.7133.9173.7-177177.9172.100110.4W111 W141 Y150W111-E143 WeakPolarHBondContact O-CA 3.34Å; W141-E143 PolarHBondContact O-N 2.84Å; E143-Y150 WeakPolarHBondContact O-CD2 3.33Å
144A94.5Very high92.8Very high2 Ų252 Ų522%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-156164.9171.400000111.9Y110 W111Y110-A144 CarbonylContact C-O 3.56Å; Y110-A144 WeakPolarHBondContact CA-O 3.46Å; W111-A144 HydrophobicContact CH2-CB 4.34Å; W111-A144 HydrophobicContact CZ2-CB 3.53Å; W111-A144 PolarHBondContact N-O 2.82Å; W111-A144 PolarHBondContact NE1-O 2.89Å; W111-A144 PolarHBondContact O-N 3.43Å; W111-A144 VanDerWaalsContact O-N 3.13Å
145P93.8Very high92.9Very high34 Ų3450.7 Ų50.722%0.22126%0.264CS..EExtended strand (participates in β ladder)trans-58.4151.3168.8-2535.6000113R109 Y110 W111 S147 L148R109-P145 CarbonylContact O-C 3.57Å; R109-P145 VanDerWaalsContact O-CA 3.3Å; R109-P145 WeakPolarHBondContact O-CA 3.31Å; Y110-P145 HydrophobicContact CD1-CG 4.16Å; Y110-P145 HydrophobicContact CE1-CG 3.79Å; W111-P145 PolarHBondContact NE1-O 3.41Å; W111-P145 VanDerWaalsContact NE1-O 3.15Å; P145-S147 PolarHBondContact O-N 2.91Å; P145-S147 VanDerWaalsContact O-N 3.1Å; P145-L148 HydrophobicContact CB-CD1 4.28Å; P145-L148 HydrophobicContact CB-CG 4.37Å; P145-L148 HydrophobicContact CG-CD1 4.05Å; P145-L148 PolarHBondContact O-N 2.73Å
146V90.7Very high92.8Very high40 Ų4053.8 Ų53.824%0.24229%0.288CS..THydrogen-bonded Turntrans-59.3-23.1-174.8-67.20000116.2K106 R109K106-V146 HydrophobicContact CD-CG1 3.7Å; K106-V146 HydrophobicContact CG-CG1 3.65Å; R109-V146 WeakPolarHBondContact O-CG1 3.33Å; R109-V146 PolarHBondContact O-N 3.42Å
147S88.3Confident92.7Very high88 Ų8854.1 Ų54.162%0.61529%0.289SS*.THydrogen-bonded Turntrans-91.9-5.2176.657.70000113.5P145P145-S147 PolarHBondContact O-N 2.91Å; P145-S147 VanDerWaalsContact O-N 3.1Å
148L93.2Very high92.7Very high41 Ų4153.8 Ų53.822%0.21529%0.287CS..  trans-120.1145-172.6-58.4-178.9000111.2W111 P145 D191 T193W111-L148 PolarHBondContact NE1-O 2.73Å; P145-L148 HydrophobicContact CB-CD1 4.28Å; P145-L148 HydrophobicContact CB-CG 4.37Å; P145-L148 HydrophobicContact CG-CD1 4.05Å; P145-L148 PolarHBondContact O-N 2.73Å; L148-D191 CarbonylContact C-O 3.59Å; L148-D191 VanDerWaalsContact CA-O 3.24Å; L148-D191 WeakPolarHBondContact CA-O 3.18Å; L148-D191 HydrophobicContact CD2-CB 3.34Å; L148-T193 WeakPolarHBondContact CD1-OG1 3.32Å
149G94.3Very high92.8Very high0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-76.8174.7162.100000111.8V179 D191 V192 T193G149-V179 CarbonylContact C-O 3.44Å; G149-V179 WeakPolarHBondContact CA-O 3.36Å; G149-D191 PolarHBondContact N-O 3.16Å; G149-V192 CarbonylContact O-C 3.55Å; G149-V192 WeakPolarHBondContact O-CA 3.47Å; G149-T193 PolarHBondContact O-N 2.96Å
150Y95Very high92.8Very high13 Ų1354.5 Ų54.55%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-116.4136.6172175.7-91.8000109.2W141 E143 C152 I177 Q178 V179 T193 C195W141-Y150 HydrophobicContact CD2-CE1 4.33Å; W141-Y150 AromaticContact CE3-CD1 3.86Å; W141-Y150 HydrophobicContact CE3-CD1 3.86Å; W141-Y150 AromaticContact CE3-CE1 3.24Å; W141-Y150 HydrophobicContact CE3-CE1 3.24Å; W141-Y150 AromaticContact CE3-CZ 3.86Å; W141-Y150 AromaticContact CZ3-CD1 3.89Å; W141-Y150 HydrophobicContact CZ3-CD1 3.89Å; W141-Y150 AromaticContact CZ3-CE1 3.67Å; W141-Y150 HydrophobicContact CZ3-CE1 3.67Å; W141-Y150 WeakPolarHBondContact O-CE2 3.43Å; W141-Y150 PolarHBondContact O-OH 2.9Å; E143-Y150 WeakPolarHBondContact O-CD2 3.33Å; Y150-C152 HydrophobicContact CE1-CB 3.6Å; Y150-I177 HydrophobicContact CE1-CG2 4.42Å; Y150-Q178 CarbonylContact O-C 3.5Å; Y150-Q178 VanDerWaalsContact O-CA 3.23Å; Y150-Q178 WeakPolarHBondContact O-CA 3.49Å; Y150-V179 HydrophobicContact CD1-CG1 4.35Å; Y150-V179 PolarHBondContact N-O 3.32Å; Y150-V179 PolarHBondContact O-N 3.48Å; Y150-T193 CarbonylContact C-O 3.52Å; Y150-T193 WeakPolarHBondContact CA-O 3.28Å; Y150-C195 HydrophobicContact CE2-CB 3.94Å; Y150-C195 WeakPolarHBondContact OH-CB 3.44Å
151K94.8Very high93.1Very high84 Ų8449.4 Ų49.437%0.36527%0.271SS..EExtended strand (participates in β ladder)trans-130.6137.9178-179.6179.3174.5-176.80109.9I177 Q178 V192 T193 D194 C195K151-I177 CarbonylContact C-O 3.59Å; K151-I177 WeakPolarHBondContact CA-O 3.36Å; K151-Q178 HydrophobicContact CB-CG 4.31Å; K151-Q178 HydrophobicContact CG-CB 4.49Å; K151-V192 HydrophobicContact CB-CB 4.09Å; K151-V192 HydrophobicContact CB-CG2 3.94Å; K151-V192 HydrophobicContact CD-CG2 4.04Å; K151-T193 PolarHBondContact N-O 2.93Å; K151-D194 CarbonylContact O-C 3.55Å; K151-D194 WeakPolarHBondContact O-CA 3.45Å; K151-C195 PolarHBondContact O-N 2.82Å
152C94.3Very high93.1Very high3 Ų350.3 Ų50.32%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-152.9125.8173.6-166.40000112.5Y150 K154 P155 S176 I177 C195Y150-C152 HydrophobicContact CE1-CB 3.6Å; C152-K154 VanDerWaalsContact SG-C 3.58Å; C152-P155 HydrophobicContact CB-CB 4.33Å; C152-P155 VanDerWaalsContact SG-N 3.43Å; C152-S176 CarbonylContact O-C 3.59Å; C152-S176 VanDerWaalsContact O-CA 3.26Å; C152-S176 WeakPolarHBondContact O-CA 3.45Å; C152-I177 HydrophobicContact CB-CG2 3.99Å; C152-I177 PolarHBondContact N-O 3.45Å; C152-I177 PolarHBondContact O-N 3.35Å; C152-C195 WeakPolarHBondContact CA-SG 3.46Å; C152-C195 HydrophobicContact CB-CB 3.44Å; C152-C195 VanDerWaalsContact CB-CB 3.44Å; C152-C195 WeakPolarHBondContact CB-SG 3.39Å; C152-C195 WeakPolarHBondContact SG-CB 3.31Å; C152-C195 CovalentContact SG-SG 2.04Å; C152-C195 PolarHBondContact SG-SG 2.88Å
153T93.2Very high92.7Very high74 Ų7454.9 Ų54.945%0.45431%0.305SS..SBendtrans-68.5-38.3177.8-55.50000112.5S176T153-S176 WeakPolarHBondContact O-CA 3.4Å; T153-S176 PolarHBondContact O-N 2.98Å; T153-S176 PolarHBondContact O-OG 3.04Å
154K92.2Very high92Very high182 Ų18255.7 Ų55.779%0.79132%0.324SS*.SBendtrans-136.974.2-177.5-68.2176.6-175160.30110.4C152C152-K154 VanDerWaalsContact SG-C 3.58Å
155P93.5Very high91.2Very high11 Ų1159.5 Ų59.57%0.07136%0.364CS..PPolyproline II helixtrans-64.2154.117629.5-35.9000110.7W141 C152 F174 I177W141-P155 HydrophobicContact CD2-CB 3.82Å; W141-P155 HydrophobicContact CE3-CB 4.39Å; W141-P155 HydrophobicContact CG-CB 3.95Å; W141-P155 HydrophobicContact CZ2-CB 4.44Å; C152-P155 HydrophobicContact CB-CB 4.33Å; C152-P155 VanDerWaalsContact SG-N 3.43Å; P155-F174 WeakPolarHBondContact CD-O 3.47Å; P155-F174 HydrophobicContact CG-CB 3.86Å; P155-F174 VanDerWaalsContact CG-O 3.32Å; P155-F174 WeakPolarHBondContact CG-O 3.46Å; P155-I177 HydrophobicContact CB-CG2 4.12Å; P155-I177 HydrophobicContact CG-CG2 3.76Å
156S93.2Very high90.4Very high90 Ų9060.1 Ų60.163%0.62937%0.369SS*.PPolyproline II helixtrans-60.4144.3170.6-54.10000110.4W141W141-S156 VanDerWaalsContact CD1-O 3.26Å; W141-S156 PolarHBondContact NE1-O 2.78Å; W141-S156 VanDerWaalsContact NE1-O 3.16Å
157V94.4Very high90Very high73 Ų7361 Ų6144%0.44239%0.386SS..PPolyproline II helixtrans-54.8140.9173.9-77.70000110.8P159 Q173V157-P159 WeakPolarHBondContact O-CD 3.07Å; V157-Q173 HydrophobicContact CG1-CB 4.12Å; V157-Q173 HydrophobicContact CG1-CG 4Å
158A95.6Very high90.1Very high0 Ų062 Ų620%038%0.377CS..EExtended strand (participates in β ladder)trans-9994.317700000109.2I139 S171 I172I139-A158 HydrophobicContact CG1-CB 3.79Å; A158-S171 CarbonylContact O-C 3.52Å; A158-S171 WeakPolarHBondContact O-CA 3.14Å; A158-I172 PolarHBondContact N-O 3.01Å; A158-I172 PolarHBondContact O-N 2.88Å
159P95.4Very high90Very high56 Ų5662.9 Ų62.936%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-72.9145.217930.9-34.8000111.1A138 V157A138-P159 HydrophobicContact CB-CG 4Å; A138-P159 PolarHBondContact N-O 2.82Å; V157-P159 WeakPolarHBondContact O-CD 3.07Å
160V95Very high90Very high9 Ų963 Ų636%0.05539%0.387CS..BIsolated β-bridgetrans-78.5130.7168-176.30000108.3V118 V132 N135 L137 F162 V170V118-V160 HydrophobicContact CG1-CB 4.43Å; V118-V160 HydrophobicContact CG1-CG1 4.1Å; V118-V160 HydrophobicContact CG1-CG2 3.49Å; V118-V160 VanDerWaalsContact CG1-CG2 3.49Å; V132-V160 HydrophobicContact CG1-CG1 3.93Å; N135-V160 HydrophobicContact CB-CG1 3.49Å; N135-V160 VanDerWaalsContact CB-CG1 3.49Å; L137-V160 HydrophobicContact CD2-CG2 3.65Å; V160-F162 HydrophobicContact CB-CD2 4.34Å; V160-F162 HydrophobicContact CB-CE2 3.7Å; V160-F162 HydrophobicContact CB-CZ 4.08Å; V160-F162 HydrophobicContact CG1-CD2 4.32Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CZ 3.76Å; V160-F162 WeakPolarHBondContact O-CD2 3.26Å; V160-F162 PolarHBondContact O-N 2.92Å; V160-V170 HydrophobicContact CB-CB 4.19Å; V160-V170 WeakPolarHBondContact CB-O 3.24Å; V160-V170 HydrophobicContact CG2-CB 3.87Å; V160-V170 HydrophobicContact CG2-CG1 3.83Å; V160-V170 WeakPolarHBondContact CG2-O 3.2Å; V160-V170 PolarHBondContact N-O 2.84Å
161I92.3Very high90.1Very high91 Ų9163 Ų6347%0.46739%0.389SS..  trans-82.6115.1178-55.7172.6000108.1N135 P136 A138N135-I161 PolarHBondContact ND2-O 3.26Å; N135-I161 VanDerWaalsContact ND2-O 3.08Å; P136-I161 HydrophobicContact CB-CD1 4.42Å; P136-I161 HydrophobicContact CG-CB 4.16Å; P136-I161 HydrophobicContact CG-CD1 4.33Å; P136-I161 PolarHBondContact O-N 2.04Å; A138-I161 HydrophobicContact CB-CD1 4.2Å; A138-I161 HydrophobicContact CB-CG1 4.26Å
162F88.5Confident90.1Very high45 Ų4559 Ų5920%0.19737%0.372CS..PPolyproline II helixtrans-103.7152.1172-68.3-79.3000110.6V130 V132 V160 V170V130-F162 HydrophobicContact CG1-CZ 4.49Å; V132-F162 HydrophobicContact CG1-CE1 4.44Å; V132-F162 HydrophobicContact CG2-CE1 4.04Å; V132-F162 HydrophobicContact CG2-CZ 3.8Å; V160-F162 HydrophobicContact CB-CD2 4.34Å; V160-F162 HydrophobicContact CB-CE2 3.7Å; V160-F162 HydrophobicContact CB-CZ 4.08Å; V160-F162 HydrophobicContact CG1-CD2 4.32Å; V160-F162 HydrophobicContact CG1-CE1 4.29Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CZ 3.76Å; V160-F162 WeakPolarHBondContact O-CD2 3.26Å; V160-F162 PolarHBondContact O-N 2.92Å; F162-V170 HydrophobicContact CE2-CB 3.83Å; F162-V170 HydrophobicContact CE2-CG2 3.91Å; F162-V170 HydrophobicContact CZ-CB 3.94Å; F162-V170 HydrophobicContact CZ-CG2 3.71Å
163P82.1Confident90.2Very high101 Ų10162.4 Ų62.466%0.65639%0.387SS*.PPolyproline II helixtrans-54.9139.1162.3-19.931.7000110.2G165P163-G165 PolarHBondContact O-N 2.75Å
164S77.6Confident90.3Very high132 Ų13259 Ų5992%0.92337%0.366SS*.THydrogen-bonded Turntrans-53.4137.1-178.9-59.10000112
165G77.2Confident90.4Very high83 Ų8352.7 Ų52.786%0.85634%0.343SS*.THydrogen-bonded Turntrans95.36.3174.300000116.1P163 G167P163-G165 PolarHBondContact O-N 2.75Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 2.78Å
166S77Confident90.4Very high47 Ų4753.5 Ų53.533%0.32935%0.349SS..  trans-64.9-28179.464.20000113.9Y168S166-Y168 WeakPolarHBondContact O-CD2 3.2Å; S166-Y168 WeakPolarHBondContact O-CE2 3.36Å; S166-Y168 PolarHBondContact O-N 2.97Å; S166-Y168 PolarHBondContact OG-O 3.27Å
167G83.8Confident90.5Very high58 Ų5849.3 Ų49.360%0.59832%0.319SS*.SBendtrans73.22.8-175.800000114.5G57 G165G57-G167 PolarHBondContact N-O 3.25Å; G165-G167 VanDerWaalsContact C-N 3.29Å; G165-G167 PolarHBondContact O-N 2.78Å
168Y88.6Confident90.5Very high109 Ų10947.4 Ų47.443%0.42731%0.306SS..EExtended strand (participates in β ladder)trans-118.3148.9176.5-49.7-83.9000109.9V55 S56 V130 S166V55-Y168 CarbonylContact O-C 3.52Å; V55-Y168 VanDerWaalsContact O-CA 3.25Å; V55-Y168 WeakPolarHBondContact O-CA 3.46Å; S56-Y168 WeakPolarHBondContact OG-CD1 3.17Å; S56-Y168 WeakPolarHBondContact OG-CE1 3.48Å; V130-Y168 HydrophobicContact CB-CG 4.48Å; V130-Y168 HydrophobicContact CG2-CD2 4.44Å; V130-Y168 HydrophobicContact CG2-CG 4.46Å; S166-Y168 WeakPolarHBondContact O-CD2 3.2Å; S166-Y168 WeakPolarHBondContact O-CE2 3.36Å; S166-Y168 PolarHBondContact O-N 2.97Å; S166-Y168 PolarHBondContact OG-O 3.27Å
169S92.1Very high90.5Very high59 Ų5947.5 Ų47.541%0.41331%0.306SS..EExtended strand (participates in β ladder)trans-133.9132.8168.479.80000110V55V55-S169 VanDerWaalsContact CB-OG 3.31Å; V55-S169 WeakPolarHBondContact CB-OG 3.12Å; V55-S169 WeakPolarHBondContact CG2-OG 3.16Å; V55-S169 PolarHBondContact N-O 2.87Å; V55-S169 PolarHBondContact O-N 3.37Å
170V95Very high90.5Very high3 Ų345 Ų452%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-123.1136.3177.3-178.70000107.2V52 K53 I120 V130 V132 V160 F162V52-V170 HydrophobicContact CG1-CG1 3.97Å; K53-V170 CarbonylContact O-C 3.52Å; K53-V170 WeakPolarHBondContact O-CA 3.36Å; I120-V170 HydrophobicContact CD1-CG1 3.76Å; V130-V170 HydrophobicContact CG1-CG2 3.57Å; V132-V170 HydrophobicContact CG2-CG2 4.36Å; V160-V170 HydrophobicContact CB-CB 4.19Å; V160-V170 WeakPolarHBondContact CB-O 3.24Å; V160-V170 HydrophobicContact CG2-CB 3.87Å; V160-V170 HydrophobicContact CG2-CG1 3.83Å; V160-V170 WeakPolarHBondContact CG2-O 3.2Å; V160-V170 PolarHBondContact N-O 2.84Å; F162-V170 HydrophobicContact CE2-CB 3.83Å; F162-V170 HydrophobicContact CE2-CG2 3.91Å; F162-V170 HydrophobicContact CZ-CB 3.94Å; F162-V170 HydrophobicContact CZ-CG2 3.71Å
171S95.3Very high90.5Very high13 Ų1344.6 Ų44.69%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-143.8145.2176.555.40000110.8K53 A158K53-S171 PolarHBondContact N-O 2.9Å; K53-S171 PolarHBondContact O-N 2.86Å; A158-S171 CarbonylContact O-C 3.52Å; A158-S171 WeakPolarHBondContact O-CA 3.14Å
172I96.1Very high90.6Very high1 Ų141 Ų411%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-99.2130172.9-53.4-178.4000107.9I50 V100 V118 L137 A158 F174I50-I172 HydrophobicContact CG2-CG2 4.04Å; V100-I172 HydrophobicContact CG1-CD1 4.32Å; V100-I172 HydrophobicContact CG2-CD1 3.72Å; V118-I172 HydrophobicContact CB-CD1 4.27Å; V118-I172 HydrophobicContact CG2-CD1 4.02Å; L137-I172 HydrophobicContact CD1-CD1 3.78Å; L137-I172 HydrophobicContact CD2-CD1 3.91Å; L137-I172 HydrophobicContact CD2-CG1 4.1Å; L137-I172 HydrophobicContact CG-CD1 4.49Å; A158-I172 PolarHBondContact N-O 3.01Å; A158-I172 PolarHBondContact O-N 2.88Å; I172-F174 HydrophobicContact CB-CE2 4.23Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE1 4.16Å; I172-F174 HydrophobicContact CG2-CE2 3.58Å; I172-F174 HydrophobicContact CG2-CZ 3.55Å
173Q95.3Very high90.6Very high74 Ų7441.7 Ų41.735%0.34629%0.288SS..EExtended strand (participates in β ladder)trans-114.5125.1177-171.6173.812.900109.2S51 V157S51-Q173 PolarHBondContact N-O 2.98Å; S51-Q173 PolarHBondContact O-N 3.08Å; V157-Q173 HydrophobicContact CG1-CB 4.12Å; V157-Q173 HydrophobicContact CG1-CG 4Å
174F95.2Very high90.9Very high3 Ų337.6 Ų37.61%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-104.6142.3173.3-59.6-86.8000109.1F45 A47 I50 F87 W141 P155 I172 I177F45-F174 HydrophobicContact CZ-CD1 4.36Å; F45-F174 HydrophobicContact CZ-CE1 4.12Å; A47-F174 HydrophobicContact CB-CD1 4.48Å; I50-F174 HydrophobicContact CD1-CD1 4.23Å; I50-F174 HydrophobicContact CD1-CE1 4Å; I50-F174 HydrophobicContact CG1-CD1 3.88Å; I50-F174 HydrophobicContact CG1-CE1 4.08Å; I50-F174 HydrophobicContact CG2-CD1 4.27Å; I50-F174 HydrophobicContact CG2-CE1 4.03Å; F87-F174 HydrophobicContact CZ-CE1 4.28Å; F87-F174 HydrophobicContact CZ-CZ 4.48Å; W141-F174 HydrophobicContact CZ2-CD2 4Å; W141-F174 HydrophobicContact CZ2-CE2 4.32Å; P155-F174 WeakPolarHBondContact CD-O 3.47Å; P155-F174 HydrophobicContact CG-CB 3.86Å; P155-F174 VanDerWaalsContact CG-O 3.32Å; P155-F174 WeakPolarHBondContact CG-O 3.46Å; I172-F174 HydrophobicContact CB-CE2 4.23Å; I172-F174 HydrophobicContact CG2-CD2 4.22Å; I172-F174 HydrophobicContact CG2-CE1 4.16Å; I172-F174 HydrophobicContact CG2-CE2 3.58Å; I172-F174 HydrophobicContact CG2-CZ 3.55Å; F174-I177 HydrophobicContact CB-CB 4.37Å; F174-I177 HydrophobicContact CB-CD1 4.04Å; F174-I177 HydrophobicContact CD1-CD1 3.81Å; F174-I177 HydrophobicContact CD2-CD1 4.38Å; F174-I177 HydrophobicContact CE1-CD1 4.37Å; F174-I177 HydrophobicContact CG-CD1 3.82Å
175T94.3Very high91.3Very high49 Ų4939.2 Ų39.230%0.30125%0.251SS..EExtended strand (participates in β ladder)trans-116.3129.5169.1-53.20000108.7R48 S49R48-T175 WeakPolarHBondContact CB-O 3.29Å; R48-T175 PolarHBondContact N-O 3.49Å; S49-T175 PolarHBondContact N-O 2.84Å; S49-T175 PolarHBondContact O-N 3.27Å; S49-T175 WeakPolarHBondContact OG-CB 3.4Å; S49-T175 PolarHBondContact OG-OG1 3.05Å
176S94.3Very high91.6Very high28 Ų2842.6 Ų42.620%0.19625%0.249CC..EExtended strand (participates in β ladder)trans48.276.3-180-55.50000112.2F46 A47 R48 C152 T153F46-S176 WeakPolarHBondContact CE1-O 3.39Å; A47-S176 WeakPolarHBondContact CA-O 3.19Å; R48-S176 PolarHBondContact N-O 3.07Å; R48-S176 VanDerWaalsContact N-O 3.08Å; C152-S176 CarbonylContact O-C 3.59Å; C152-S176 VanDerWaalsContact O-CA 3.26Å; C152-S176 WeakPolarHBondContact O-CA 3.45Å; T153-S176 WeakPolarHBondContact O-CA 3.4Å; T153-S176 PolarHBondContact O-N 2.98Å; T153-S176 PolarHBondContact O-OG 3.04Å
177I95.2Very high91.8Very high1 Ų140.4 Ų40.41%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-96.1143.2179.4-170.6147.1000110.6F45 F46 W141 Y150 K151 C152 P155 F174F45-I177 HydrophobicContact CE2-CD1 3.55Å; F45-I177 HydrophobicContact CE2-CG1 4.11Å; F45-I177 HydrophobicContact CZ-CD1 3.86Å; F45-I177 HydrophobicContact CZ-CG1 4.47Å; F46-I177 CarbonylContact O-C 3.51Å; F46-I177 WeakPolarHBondContact O-CA 3.3Å; W141-I177 HydrophobicContact CE3-CG2 4.45Å; W141-I177 HydrophobicContact CH2-CD1 3.29Å; W141-I177 HydrophobicContact CH2-CG1 4.03Å; W141-I177 HydrophobicContact CH2-CG2 4.09Å; W141-I177 HydrophobicContact CZ2-CD1 3.96Å; W141-I177 HydrophobicContact CZ3-CD1 4.06Å; W141-I177 HydrophobicContact CZ3-CG1 4.32Å; W141-I177 HydrophobicContact CZ3-CG2 3.9Å; Y150-I177 HydrophobicContact CE1-CG2 4.42Å; K151-I177 CarbonylContact C-O 3.59Å; K151-I177 WeakPolarHBondContact CA-O 3.36Å; C152-I177 HydrophobicContact CB-CG2 3.99Å; C152-I177 PolarHBondContact N-O 3.45Å; C152-I177 PolarHBondContact O-N 3.35Å; P155-I177 HydrophobicContact CB-CG2 4.12Å; P155-I177 HydrophobicContact CG-CG2 3.76Å; F174-I177 HydrophobicContact CB-CB 4.37Å; F174-I177 HydrophobicContact CB-CD1 4.04Å; F174-I177 HydrophobicContact CD1-CD1 3.81Å; F174-I177 HydrophobicContact CD2-CD1 4.38Å; F174-I177 HydrophobicContact CE1-CD1 4.37Å; F174-I177 HydrophobicContact CG-CD1 3.82Å
178Q95.3Very high91.9Very high34 Ų3442.5 Ų42.516%0.15924%0.235CC..EExtended strand (participates in β ladder)trans-140128.7167.3-176.9172.2-2400108.7F45 F46 Y150 K151 F189 V192F45-Q178 CarbonylContact C-O 3.56Å; F46-Q178 HydrophobicContact CB-CB 4.23Å; F46-Q178 HydrophobicContact CD1-CB 4.22Å; F46-Q178 PolarHBondContact N-O 2.92Å; F46-Q178 PolarHBondContact O-N 2.81Å; Y150-Q178 CarbonylContact O-C 3.5Å; Y150-Q178 VanDerWaalsContact O-CA 3.23Å; Y150-Q178 WeakPolarHBondContact O-CA 3.49Å; K151-Q178 HydrophobicContact CB-CG 4.31Å; K151-Q178 HydrophobicContact CG-CB 4.49Å; Q178-F189 HydrophobicContact CB-CE1 4.44Å; Q178-F189 HydrophobicContact CB-CZ 4.47Å; Q178-F189 HydrophobicContact CG-CD1 3.86Å; Q178-F189 HydrophobicContact CG-CE1 3.8Å; Q178-F189 HydrophobicContact CG-CG 4.31Å; Q178-F189 HydrophobicContact CG-CZ 4.19Å; Q178-V192 HydrophobicContact CG-CG1 4.23Å
179V95.8Very high92Very high1 Ų139.4 Ų39.41%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-138.9133.4-177.361.10000109.8F45 F104 W111 G149 Y150F45-V179 HydrophobicContact CD2-CB 4.25Å; F45-V179 HydrophobicContact CD2-CG2 4.21Å; F104-V179 HydrophobicContact CE1-CG2 3.96Å; F104-V179 HydrophobicContact CE2-CG2 4.3Å; F104-V179 HydrophobicContact CZ-CG2 3.67Å; W111-V179 HydrophobicContact CH2-CG1 3.91Å; W111-V179 HydrophobicContact CZ3-CG1 4.47Å; G149-V179 CarbonylContact C-O 3.44Å; G149-V179 WeakPolarHBondContact CA-O 3.36Å; Y150-V179 HydrophobicContact CD1-CG1 4.35Å; Y150-V179 PolarHBondContact N-O 3.32Å; Y150-V179 PolarHBondContact O-N 3.48Å
180Q95.1Very high91.9Very high3 Ų338.4 Ų38.41%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-134.396.7174.5-172.4174-22.100108.1L43 A44 F182 G183 V184 F189L43-Q180 WeakPolarHBondContact CA-O 3.31Å; A44-Q180 PolarHBondContact N-O 3.23Å; A44-Q180 PolarHBondContact O-N 3.41Å; Q180-F182 WeakPolarHBondContact CG-O 3.47Å; Q180-F182 PolarHBondContact NE2-O 2.75Å; Q180-G183 PolarHBondContact NE2-O 3.43Å; Q180-V184 HydrophobicContact CB-CG2 3.77Å; Q180-V184 HydrophobicContact CG-CG2 3.57Å; Q180-V184 WeakPolarHBondContact O-CG2 3.43Å; Q180-F189 HydrophobicContact CB-CD1 3.8Å; Q180-F189 HydrophobicContact CB-CE1 4.16Å
181P94.6Very high91.7Very high1 Ų144.4 Ų44.41%0.00626%0.255CS..  trans-81.2-14.9-173.823.5-23.1000114.7L43 S83 F104 W111L43-P181 HydrophobicContact CD1-CB 4.12Å; S83-P181 WeakPolarHBondContact CB-O 3.47Å; S83-P181 WeakPolarHBondContact OG-CB 3.41Å; S83-P181 PolarHBondContact OG-O 2.84Å; S83-P181 VanDerWaalsContact OG-O 3.06Å; F104-P181 HydrophobicContact CB-CB 3.59Å; F104-P181 HydrophobicContact CB-CG 3.88Å; F104-P181 HydrophobicContact CD1-CB 4.09Å; F104-P181 HydrophobicContact CD1-CG 3.88Å; F104-P181 HydrophobicContact CD2-CB 3.72Å; F104-P181 HydrophobicContact CD2-CG 4.41Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CG-CB 3.52Å; F104-P181 HydrophobicContact CG-CG 3.79Å; W111-P181 HydrophobicContact CD2-CG 3.39Å; W111-P181 HydrophobicContact CE3-CG 3.34Å; W111-P181 HydrophobicContact CG-CG 4.05Å; W111-P181 HydrophobicContact CH2-CG 3.88Å; W111-P181 VanDerWaalsContact CZ2-CD 3.43Å; W111-P181 HydrophobicContact CZ2-CG 3.9Å; W111-P181 HydrophobicContact CZ3-CG 3.61Å
182F93.5Very high91.6Very high17 Ų1745.8 Ų45.88%0.07526%0.263CS..SBendtrans-140.7150.8-177.3-55.4-80.1000110.4S79 F104 K106 W111 Q180 V184S79-F182 WeakPolarHBondContact O-CE1 3.46Å; F104-F182 HydrophobicContact CB-CE2 4.03Å; F104-F182 HydrophobicContact CB-CZ 4.35Å; K106-F182 HydrophobicContact CB-CE2 4.5Å; K106-F182 HydrophobicContact CB-CZ 4.37Å; W111-F182 HydrophobicContact CB-CD2 3.73Å; W111-F182 HydrophobicContact CB-CE2 3.6Å; W111-F182 AromaticContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CD2 3.83Å; W111-F182 HydrophobicContact CG-CE2 4.1Å; Q180-F182 WeakPolarHBondContact CG-O 3.47Å; Q180-F182 PolarHBondContact NE2-O 2.75Å; F182-V184 VanDerWaalsContact C-N 3.26Å; F182-V184 PolarHBondContact O-N 2.84Å
183G88.3Confident91.4Very high59 Ų5947.7 Ų47.761%0.60828%0.275SS*.SBendtrans69.417.3172.500000115.3Q180Q180-G183 PolarHBondContact NE2-O 3.43Å
184V89.9Confident91.2Very high14 Ų1446.7 Ų46.79%0.08527%0.272CS..  trans-68.7137.4169.8-177.60000108.7G41 C42 A44 Q180 F182 G187 V188G41-V184 CarbonylContact O-C 3.58Å; G41-V184 WeakPolarHBondContact O-CB 3.46Å; G41-V184 VanDerWaalsContact O-CG1 3.31Å; G41-V184 WeakPolarHBondContact O-CG1 3.42Å; C42-V184 WeakPolarHBondContact O-CG2 3.38Å; A44-V184 HydrophobicContact CB-CG1 4.11Å; A44-V184 HydrophobicContact CB-CG2 4.09Å; Q180-V184 HydrophobicContact CB-CG2 3.77Å; Q180-V184 HydrophobicContact CG-CG2 3.57Å; Q180-V184 WeakPolarHBondContact O-CG2 3.43Å; F182-V184 VanDerWaalsContact C-N 3.26Å; F182-V184 PolarHBondContact O-N 2.84Å; V184-G187 VanDerWaalsContact CG1-CA 3.49Å; V184-V188 WeakPolarHBondContact CG1-O 3.14Å
185K85.4Confident90.9Very high167 Ų16748.9 Ų48.973%0.72629%0.287SS*.BIsolated β-bridgetrans-113.9125173.1-65.3-177.5179.9177.80108.2G187 V188K185-G187 PolarHBondContact O-N 3.01Å; K185-G187 VanDerWaalsContact O-N 3.08Å; K185-V188 PolarHBondContact O-N 3.37Å
186D83.6Confident90.4Very high153 Ų15351.2 Ų51.282%0.81830%0.301SS*.THydrogen-bonded Turntrans54.429.1177.2-53.9-46.4000114.6V188D186-V188 PolarHBondContact O-N 3.08Å
187G80.3Confident89.7Confident1 Ų152.7 Ų52.71%0.0132%0.32CS..THydrogen-bonded Turntrans75.4-2.1-176.100000115.1Y36 N38 G41 V184 K185Y36-G187 PolarHBondContact OH-O 2.87Å; N38-G187 WeakPolarHBondContact ND2-CA 3.09Å; G41-G187 PolarHBondContact O-N 3.39Å; V184-G187 VanDerWaalsContact CG1-CA 3.49Å; K185-G187 PolarHBondContact O-N 3.01Å; K185-G187 VanDerWaalsContact O-N 3.08Å
188V87Confident88.8Confident102 Ų10261.4 Ų61.462%0.61836%0.355SS*.BIsolated β-bridgetrans-85.2129.9-178.7-175.30000109.7V184 K185 D186 G190V184-V188 WeakPolarHBondContact CG1-O 3.14Å; K185-V188 PolarHBondContact O-N 3.37Å; D186-V188 PolarHBondContact O-N 3.08Å; V188-G190 PolarHBondContact O-N 2.8Å
189F90.4Very high88.2Confident44 Ų4466.7 Ų66.719%0.19338%0.377CS..  trans-61.8131.8171.5-67.1-79.3000110.2Y36 A44 F46 Q178 Q180Y36-F189 AromaticContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CE2 3.98Å; Y36-F189 HydrophobicContact CD2-CZ 4.42Å; Y36-F189 HydrophobicContact CE2-CD2 4.4Å; Y36-F189 AromaticContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CE2 3.58Å; Y36-F189 HydrophobicContact CE2-CZ 4.12Å; A44-F189 HydrophobicContact CB-CD1 3.86Å; A44-F189 HydrophobicContact CB-CD2 4.46Å; A44-F189 HydrophobicContact CB-CE1 3.45Å; A44-F189 VanDerWaalsContact CB-CE1 3.45Å; A44-F189 HydrophobicContact CB-CE2 4.12Å; A44-F189 HydrophobicContact CB-CG 4.35Å; A44-F189 HydrophobicContact CB-CZ 3.59Å; A44-F189 WeakPolarHBondContact O-CE1 3.34Å; F46-F189 HydrophobicContact CB-CE2 3.91Å; F46-F189 HydrophobicContact CB-CZ 3.74Å; Q178-F189 HydrophobicContact CB-CE1 4.44Å; Q178-F189 HydrophobicContact CB-CZ 4.47Å; Q178-F189 HydrophobicContact CG-CD1 3.86Å; Q178-F189 HydrophobicContact CG-CE1 3.8Å; Q178-F189 HydrophobicContact CG-CG 4.31Å; Q178-F189 HydrophobicContact CG-CZ 4.19Å; Q180-F189 HydrophobicContact CB-CD1 3.8Å; Q180-F189 HydrophobicContact CB-CE1 4.16Å
190G89.6Confident87.7Confident38 Ų3869.5 Ų69.539%0.39240%0.397SS..  trans-82.8-157.5167.500000111.5V188V188-G190 PolarHBondContact O-N 2.8Å
191D92.3Very high87.4Confident129 Ų12976.4 Ų76.469%0.6943%0.432SS*.  trans-60.8147.1175.6-67.3-32.4000111.3L148 G149L148-D191 CarbonylContact C-O 3.59Å; L148-D191 VanDerWaalsContact CA-O 3.24Å; L148-D191 WeakPolarHBondContact CA-O 3.18Å; L148-D191 HydrophobicContact CD2-CB 3.34Å; G149-D191 PolarHBondContact N-O 3.16Å
192V92.5Very high87.2Confident43 Ų4378.1 Ų78.126%0.26145%0.451SS..EExtended strand (participates in β ladder)trans-127.2147.5-173.9-62.90000112.3G149 K151 Q178G149-V192 CarbonylContact O-C 3.55Å; G149-V192 WeakPolarHBondContact O-CA 3.47Å; K151-V192 HydrophobicContact CB-CB 4.09Å; K151-V192 HydrophobicContact CB-CG2 3.94Å; K151-V192 HydrophobicContact CD-CG2 4.04Å; Q178-V192 HydrophobicContact CG-CG1 4.23Å
193T91.9Very high87.1Confident41 Ų4180.5 Ų80.525%0.25247%0.466SS..EExtended strand (participates in β ladder)trans-91.8128.9165.5-54.90000108.7L148 G149 Y150 K151L148-T193 WeakPolarHBondContact CD1-OG1 3.32Å; G149-T193 PolarHBondContact O-N 2.96Å; Y150-T193 CarbonylContact C-O 3.52Å; Y150-T193 WeakPolarHBondContact CA-O 3.28Å; K151-T193 PolarHBondContact N-O 2.93Å
194D91.5Very high87.3Confident53 Ų5383.6 Ų83.628%0.28346%0.46SS..EExtended strand (participates in β ladder)trans-83.6152.4174.1-150.2-47.2000110.9K151 V196K151-D194 CarbonylContact O-C 3.55Å; K151-D194 WeakPolarHBondContact O-CA 3.45Å; D194-V196 VanDerWaalsContact C-N 3.32Å; D194-V196 HydrophobicContact CB-CG2 4.46Å; D194-V196 PolarHBondContact OD1-N 2.86Å
195C89.1Confident87.5Confident48 Ų4886 Ų8632%0.32448%0.477SS..SBendtrans-74.6-23.9177.267.90000113.6Y150 K151 C152Y150-C195 HydrophobicContact CE2-CB 3.94Å; Y150-C195 WeakPolarHBondContact OH-CB 3.44Å; K151-C195 PolarHBondContact O-N 2.82Å; C152-C195 WeakPolarHBondContact CA-SG 3.46Å; C152-C195 HydrophobicContact CB-CB 3.44Å; C152-C195 VanDerWaalsContact CB-CB 3.44Å; C152-C195 WeakPolarHBondContact CB-SG 3.39Å; C152-C195 WeakPolarHBondContact SG-CB 3.31Å; C152-C195 CovalentContact SG-SG 2.04Å; C152-C195 PolarHBondContact SG-SG 2.88Å
196V83.6Confident88Confident98 Ų9881.5 Ų81.559%0.59447%0.466SS*.SBendtrans-87.1122.7171.2-67.30000109D194D194-V196 VanDerWaalsContact C-N 3.32Å; D194-V196 HydrophobicContact CB-CG2 4.46Å; D194-V196 PolarHBondContact OD1-N 2.86Å
197G78.4Confident88.5Confident59 Ų5977.9 Ų77.961%0.60845%0.447SS*.  trans-60.9139.6172.200000110.6F199G197-F199 PolarHBondContact O-N 2.95Å; G197-F199 VanDerWaalsContact O-N 3.13Å
198Y77.6Confident89.3Confident185 Ų18582.7 Ų82.773%0.72547%0.471SS*.SBendtrans-54.8-30.7176.8-64.1-81.5000113S200Y198-S200 PolarHBondContact O-N 3.11Å
199F81.1Confident89.8Confident145 Ų14582.4 Ų82.464%0.63647%0.469SS*.SBendtrans-97.170.2-179-62.5-79.8000112G197 V203G197-F199 PolarHBondContact O-N 2.95Å; G197-F199 VanDerWaalsContact O-N 3.13Å; F199-V203 HydrophobicContact CD1-CG1 4.47Å
200S86Confident90.1Very high59 Ų5983.1 Ų83.141%0.41348%0.48SS..  trans-65.2162.7172.475.80000111.8Y198 G202 V203 W204Y198-S200 PolarHBondContact O-N 3.11Å; S200-G202 PolarHBondContact O-N 3.2Å; S200-G202 VanDerWaalsContact O-N 3.16Å; S200-G202 PolarHBondContact OG-N 2.72Å; S200-V203 PolarHBondContact O-N 3.29Å; S200-V203 PolarHBondContact OG-N 3.01Å; S200-W204 PolarHBondContact O-N 2.91Å; S200-W204 VanDerWaalsContact O-N 3.11Å
201I89.8Confident90.5Very high148 Ų14886 Ų8676%0.75949%0.485SS*.Hα-helixtrans-55.2-32.6174.3-171.959.6000112.7W204 S205I201-W204 PolarHBondContact O-N 2.82Å; I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 2.86Å
202G90.6Very high90.7Very high38 Ų3885.1 Ų85.139%0.39248%0.48SS..Hα-helixtrans-70.5-36.4177.800000113.2S200 S205 S206S200-G202 PolarHBondContact O-N 3.2Å; S200-G202 VanDerWaalsContact O-N 3.16Å; S200-G202 PolarHBondContact OG-N 2.72Å; G202-S205 PolarHBondContact O-OG 3Å; G202-S205 VanDerWaalsContact O-OG 3.07Å; G202-S206 WeakPolarHBondContact O-CB 3.47Å; G202-S206 PolarHBondContact O-N 2.86Å
203V91.2Very high91Very high66 Ų6688.2 Ų88.240%0.449%0.494SS..Hα-helixtrans-66.3-43.5174.1176.40000109.6F199 S200 S206 L207F199-V203 HydrophobicContact CD1-CG1 4.47Å; S200-V203 PolarHBondContact O-N 3.29Å; S200-V203 PolarHBondContact OG-N 3.01Å; V203-S206 PolarHBondContact O-N 3.16Å; V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 PolarHBondContact O-N 2.89Å
204W92.3Very high91.3Very high125 Ų12590.1 Ų90.147%0.47351%0.506SS..Hα-helixtrans-63.7-44.9177.3-85.3111.8000113.4S200 I201 S206 L207 I208S200-W204 PolarHBondContact O-N 2.91Å; S200-W204 VanDerWaalsContact O-N 3.11Å; I201-W204 PolarHBondContact O-N 2.82Å; W204-S206 VanDerWaalsContact C-N 3.34Å; W204-S206 PolarHBondContact O-N 3.46Å; W204-L207 HydrophobicContact CE3-CD2 4.24Å; W204-L207 HydrophobicContact CZ3-CD2 4.06Å; W204-L207 PolarHBondContact O-N 2.81Å; W204-I208 WeakPolarHBondContact O-CB 3.26Å; W204-I208 WeakPolarHBondContact O-CD1 3.48Å; W204-I208 VanDerWaalsContact O-CG1 3.22Å; W204-I208 WeakPolarHBondContact O-CG1 3.4Å; W204-I208 PolarHBondContact O-N 2.85Å
205S93.7Very high91.6Very high64 Ų6490.9 Ų90.945%0.44852%0.515SS..Hα-helixtrans-64.9-40.1178.463.90000111.6I201 G202 V209I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 2.86Å; G202-S205 PolarHBondContact O-OG 3Å; G202-S205 VanDerWaalsContact O-OG 3.07Å; S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 VanDerWaalsContact O-CG2 3.25Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 2.98Å
206S94.9Very high92Very high72 Ų7293 Ų9350%0.50353%0.526SS..Hα-helixtrans-64.4-43174.8178.90000112.5G202 V203 W204 V209 S210G202-S206 WeakPolarHBondContact O-CB 3.47Å; G202-S206 PolarHBondContact O-N 2.86Å; V203-S206 PolarHBondContact O-N 3.16Å; W204-S206 VanDerWaalsContact C-N 3.34Å; W204-S206 PolarHBondContact O-N 3.46Å; S206-V209 PolarHBondContact O-N 3.09Å; S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 2.87Å; S206-S210 PolarHBondContact O-OG 2.82Å
207L95.4Very high92.6Very high77 Ų7793.1 Ų93.140%0.40352%0.523SS..Hα-helixtrans-63.1-45.9178-175.963.6000111.2V203 W204 S210 I211V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.44Å; V203-L207 PolarHBondContact O-N 2.89Å; W204-L207 HydrophobicContact CE3-CD2 4.24Å; W204-L207 HydrophobicContact CZ3-CD2 4.06Å; W204-L207 PolarHBondContact O-N 2.81Å; L207-S210 PolarHBondContact O-N 2.93Å; L207-I211 HydrophobicContact CD1-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.96Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.27Å; L207-I211 PolarHBondContact O-N 3.07Å
208I96.6Very high93.5Very high103 Ų10393.7 Ų93.753%0.52852%0.515SS..Hα-helixtrans-61.8-46.3178.5-69.1165.9000111.1W204 S210 I211 L212W204-I208 WeakPolarHBondContact O-CB 3.26Å; W204-I208 WeakPolarHBondContact O-CD1 3.48Å; W204-I208 VanDerWaalsContact O-CG1 3.22Å; W204-I208 WeakPolarHBondContact O-CG1 3.4Å; W204-I208 PolarHBondContact O-N 2.85Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 2.8Å; I208-I211 PolarHBondContact O-N 2.86Å; I208-L212 WeakPolarHBondContact O-CB 3.31Å; I208-L212 PolarHBondContact O-N 3.41Å
209V97.2Very high94.5Very high95 Ų9592.5 Ų92.558%0.57651%0.511SS*.Hα-helixtrans-64.3-40.7178.3171.80000111.2S205 S206 L212 L213S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 VanDerWaalsContact O-CG2 3.25Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 2.98Å; S206-V209 PolarHBondContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 2.85Å; V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.21Å
210S96.9Very high95.2Very high59 Ų5987 Ų8741%0.41350%0.495SS..Hα-helixtrans-63.5-44.4177.8-57.80000111.5S206 L207 I208 L212 L213 V214S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 2.87Å; S206-S210 PolarHBondContact O-OG 2.82Å; L207-S210 PolarHBondContact O-N 2.93Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 2.8Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 2.89Å; S210-L213 PolarHBondContact O-N 2.88Å; S210-V214 WeakPolarHBondContact O-CB 3.37Å; S210-V214 VanDerWaalsContact O-CG2 3.28Å; S210-V214 WeakPolarHBondContact O-CG2 3.04Å; S210-V214 PolarHBondContact O-N 2.83Å
211I97.6Very high95.6Very high98 Ų9889.1 Ų89.150%0.50350%0.501SS..Hα-helixtrans-61.1-43.4175.5-70167.2000110.8L207 I208 V214 S215L207-I211 HydrophobicContact CD1-CD1 4.18Å; L207-I211 HydrophobicContact CG-CD1 3.96Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.27Å; L207-I211 PolarHBondContact O-N 3.07Å; I208-I211 PolarHBondContact O-N 2.86Å; I211-V214 PolarHBondContact O-N 2.87Å; I211-S215 WeakPolarHBondContact O-CB 3.04Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.78Å
212L97.9Very high95.9Very high112 Ų11286.6 Ų86.659%0.58649%0.492SS*.Hα-helixtrans-63.4-45.5178.1-174.4150.9000111.7I208 V209 S210 S215 V216I208-L212 WeakPolarHBondContact O-CB 3.31Å; I208-L212 PolarHBondContact O-N 3.41Å; V209-L212 PolarHBondContact O-N 2.85Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 2.89Å; L212-S215 WeakPolarHBondContact O-CB 3.38Å; L212-S215 PolarHBondContact O-N 2.8Å; L212-V216 HydrophobicContact CD2-CG2 4.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.84Å
213L97.4Very high96.1Very high107 Ų10789.9 Ų89.956%0.5650%0.499SS*.Hα-helixtrans-61.7-46.7177.9-175.1152.6000111.2V209 S210 S215 V216 L217V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.21Å; S210-L213 PolarHBondContact O-N 2.88Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.89Å; L213-V216 PolarHBondContact O-N 2.79Å; L213-L217 VanDerWaalsContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 2.85Å
214V98.1Very high96.2Very high82 Ų8292.8 Ų92.850%0.49751%0.511SS..Hα-helixtrans-60.5-39.2176170.60000110.8S210 I211 T218S210-V214 WeakPolarHBondContact O-CB 3.37Å; S210-V214 VanDerWaalsContact O-CG2 3.28Å; S210-V214 WeakPolarHBondContact O-CG2 3.04Å; S210-V214 PolarHBondContact O-N 2.83Å; I211-V214 PolarHBondContact O-N 2.87Å; V214-T218 VanDerWaalsContact O-CB 3.25Å; V214-T218 WeakPolarHBondContact O-CB 3.35Å; V214-T218 PolarHBondContact O-N 2.91Å; V214-T218 PolarHBondContact O-OG1 3.08Å
215S97.8Very high96.2Very high69 Ų6991 Ų9148%0.48352%0.523SS..Hα-helixtrans-64.5-48.2178.8-58.80000112.1I211 L212 L213 T218 Y219I211-S215 WeakPolarHBondContact O-CB 3.04Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.78Å; L212-S215 WeakPolarHBondContact O-CB 3.38Å; L212-S215 PolarHBondContact O-N 2.8Å; L213-S215 VanDerWaalsContact C-N 3.27Å; L213-S215 PolarHBondContact O-N 2.89Å; S215-T218 PolarHBondContact O-N 3.06Å; S215-Y219 WeakPolarHBondContact O-CB 2.87Å; S215-Y219 PolarHBondContact O-N 2.79Å
216V97.8Very high96Very high91 Ų9191.6 Ų91.655%0.55253%0.527SS*.Hα-helixtrans-68.7-39179176.90000111.4L212 L213 Y219 G220L212-V216 HydrophobicContact CD2-CG2 4.29Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.84Å; L213-V216 PolarHBondContact O-N 2.79Å; V216-Y219 PolarHBondContact O-N 3.12Å; V216-G220 PolarHBondContact O-N 3.41Å
217L97.2Very high95.8Very high101 Ų10193 Ų9353%0.52953%0.532SS..Hα-helixtrans-62.6-46.8175.518064.4000111.3L213 Y219 G220 L221L213-L217 VanDerWaalsContact O-CB 3.25Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 PolarHBondContact O-N 2.85Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 2.97Å; L217-G220 PolarHBondContact O-N 2.85Å; L217-L221 HydrophobicContact CD1-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.41Å
218T97.2Very high95.1Very high72 Ų7297.5 Ų97.544%0.44255%0.551SS.*Hα-helixtrans-62.7-42.8177.6-560000110.6V214 S215 G220 L221 V222V214-T218 VanDerWaalsContact O-CB 3.25Å; V214-T218 WeakPolarHBondContact O-CB 3.35Å; V214-T218 PolarHBondContact O-N 2.91Å; V214-T218 PolarHBondContact O-OG1 3.08Å; S215-T218 PolarHBondContact O-N 3.06Å; T218-G220 PolarHBondContact O-N 2.85Å; T218-L221 PolarHBondContact O-N 2.79Å; T218-V222 HydrophobicContact CG2-CG2 4.5Å; T218-V222 VanDerWaalsContact O-CG2 3.29Å; T218-V222 WeakPolarHBondContact O-CG2 3.16Å; T218-V222 PolarHBondContact O-N 2.93Å
219Y96.7Very high94.1Very high160 Ų16097.7 Ų97.763%0.62756%0.559SS**Hα-helixtrans-59.6-45.2174.6-179.3-101.8000112.1S215 V216 L217 V222 M223S215-Y219 WeakPolarHBondContact O-CB 2.87Å; S215-Y219 PolarHBondContact O-N 2.79Å; V216-Y219 PolarHBondContact O-N 3.12Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 2.97Å; Y219-V222 PolarHBondContact O-N 2.84Å; Y219-M223 PolarHBondContact O-N 3.01Å
220G96.4Very high92.9Very high30 Ų3096.2 Ų96.231%0.30955%0.554SS.*Hα-helixtrans-61.7-42.6175.800000113V216 L217 T218 M223 L224V216-G220 PolarHBondContact O-N 3.41Å; L217-G220 PolarHBondContact O-N 2.85Å; T218-G220 PolarHBondContact O-N 2.85Å; G220-M223 WeakPolarHBondContact O-CB 3.02Å; G220-M223 PolarHBondContact O-N 2.03Å; G220-L224 WeakPolarHBondContact O-CG 3.25Å; G220-L224 PolarHBondContact O-N 2.8Å
221L95.7Very high91.6Very high102 Ų102100.7 Ų100.753%0.53457%0.568SS.*Hα-helixtrans-65.1-41176.7-72.9171000112.3L217 T218 M223 L224 A225L217-L221 HydrophobicContact CD1-CD1 4.47Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 WeakPolarHBondContact O-CG 3.44Å; L217-L221 PolarHBondContact O-N 3.41Å; T218-L221 PolarHBondContact O-N 2.79Å; L221-M223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 3.29Å; L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.89Å
222V95.8Very high90.1Very high95 Ų95102.9 Ų102.958%0.57658%0.579SS**Hα-helixtrans-61.8-42.6174.2170.10000110.7T218 Y219 A225 S226T218-V222 HydrophobicContact CG2-CG2 4.5Å; T218-V222 VanDerWaalsContact O-CG2 3.29Å; T218-V222 WeakPolarHBondContact O-CG2 3.16Å; T218-V222 PolarHBondContact O-N 2.93Å; Y219-V222 PolarHBondContact O-N 2.84Å; V222-A225 PolarHBondContact O-N 2.83Å; V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 VanDerWaalsContact O-N 3.1Å
223M94.5Very high88.4Confident107 Ų107106.8 Ų106.853%0.52759%0.588SS.*Hα-helixtrans-61.2-47.5175.1-114.2-77.1-172.900111.8Y219 G220 L221 A225 S226 V227Y219-M223 PolarHBondContact O-N 3.01Å; G220-M223 WeakPolarHBondContact O-CB 3.02Å; G220-M223 PolarHBondContact O-N 2.03Å; L221-M223 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 2.69Å; M223-S226 PolarHBondContact O-N 2.84Å; M223-S226 VanDerWaalsContact O-N 3.12Å; M223-S226 PolarHBondContact O-OG 2.73Å; M223-V227 PolarHBondContact O-N 3.24Å
224L93.1Very high86.7Confident127 Ų127109.2 Ų109.267%0.66560%0.596SS**Hα-helixtrans-61.6-41.8176.7-73.1170.6000112.4G220 L221 S226 V227G220-L224 WeakPolarHBondContact O-CG 3.25Å; G220-L224 PolarHBondContact O-N 2.8Å; L221-L224 PolarHBondContact O-N 3.29Å; L224-S226 PolarHBondContact O-N 2.83Å; L224-V227 PolarHBondContact O-N 3.47Å
225A91.2Very high85.1Confident88 Ų88109 Ų10973%0.72759%0.592SS**Hα-helixtrans-65.3-23.1176.600000113.1L221 V222 M223L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.89Å; V222-A225 PolarHBondContact O-N 2.83Å; M223-A225 PolarHBondContact O-N 2.69Å
226S91.3Very high83.4Confident76 Ų76111.6 Ų111.653%0.53161%0.607SS.*Hα-helixtrans-81.2-13.1176.776.80000114.2V222 M223 L224 Q228V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 VanDerWaalsContact O-N 3.1Å; M223-S226 PolarHBondContact O-N 2.84Å; M223-S226 VanDerWaalsContact O-N 3.12Å; M223-S226 PolarHBondContact O-OG 2.73Å; L224-S226 PolarHBondContact O-N 2.83Å; S226-Q228 PolarHBondContact O-N 3.2Å; S226-Q228 VanDerWaalsContact O-N 3.13Å
227V89.1Confident81.7Confident101 Ų101115.2 Ų115.261%0.61262%0.616SS**  trans-73.2106.5178-179.50000109.2M223 L224M223-V227 PolarHBondContact O-N 3.24Å; L224-V227 PolarHBondContact O-N 3.47Å
228Q81.3Confident79.9Confident172 Ų172117.9 Ų117.980%0.80462%0.623SS**PPolyproline II helixtrans-76.9129.1170.1-64.9175.21800109S226 S230S226-Q228 PolarHBondContact O-N 3.2Å; S226-Q228 VanDerWaalsContact O-N 3.13Å; Q228-S230 PolarHBondContact O-N 3.26Å
229P75.5Confident78Confident107 Ų107123.3 Ų123.370%0.69564%0.64SS**PPolyproline II helixtrans-55.7139.8169.6-20.931.7000109.8E231P229-E231 PolarHBondContact O-N 2.88Å
230S73.2Confident76.2Confident65 Ų65123.4 Ų123.446%0.45565%0.649SS.*PPolyproline II helixtrans-63.7131.3177.453.20000110.2Q228 I232 Y233Q228-S230 PolarHBondContact O-N 3.26Å; S230-I232 PolarHBondContact O-N 3.19Å; S230-Y233 PolarHBondContact O-N 3.25Å; S230-Y233 VanDerWaalsContact O-N 3.11Å
231E67.8Low74.6Confident152 Ų152128 Ų12871%0.7166%0.664SS**G310 helixtrans-56.6-10.6179.2-59.9-168.1177.600114.1P229 Y233 E234P229-E231 PolarHBondContact O-N 2.88Å; E231-Y233 PolarHBondContact O-N 2.95Å; E231-E234 PolarHBondContact O-N 3.03Å
232I66.1Low72.9Confident145 Ų145131.6 Ų131.674%0.74468%0.679SS**G310 helixtrans-60.6-24.6174.4-74170.5000112.2S230S230-I232 PolarHBondContact O-N 3.19Å
233Y62.7Low71.3Confident194 Ų194134.8 Ų134.876%0.76169%0.692SS**G310 helixtrans-92.1-16.3-178.9-75.6-78.5000115S230 E231S230-Y233 PolarHBondContact O-N 3.25Å; S230-Y233 VanDerWaalsContact O-N 3.11Å; E231-Y233 PolarHBondContact O-N 2.95Å
234E62.6Low69.7Low157 Ų157133 Ų13373%0.73470%0.701SS**THydrogen-bonded Turntrans-89.5-17.2-176.8-68.8-64.7157.400113.3E231 P236E231-E234 PolarHBondContact O-N 3.03Å; E234-P236 WeakPolarHBondContact O-CD 3.03Å
235D63.9Low68Low77 Ų77130.6 Ų130.641%0.41270%0.699SS.*  trans-122.586.3-172.6-149.7-14.3000113K237 K238D235-K237 PolarHBondContact O-N 2.85Å; D235-K238 HydrophobicContact CB-CB 4.02Å; D235-K238 PolarHBondContact O-N 3.01Å
236P62.4Low66.5Low124 Ų124134.7 Ų134.781%0.80571%0.709SS**THydrogen-bonded Turntrans-60.4-13177.223.2-32.1000113.2E234E234-P236 WeakPolarHBondContact O-CD 3.03Å
237K61.3Low64.6Low168 Ų168141.6 Ų141.673%0.7374%0.74SS**THydrogen-bonded Turntrans-95.2-16.7-177.5-62.4-171179.5-170.90114.3D235 K239D235-K237 PolarHBondContact O-N 2.85Å; K237-K239 PolarHBondContact O-N 3.25Å
238K59.4Low63.4Low156 Ų156143.6 Ų143.668%0.67875%0.746SS**THydrogen-bonded Turntrans-79.2-15.4-172.1-152.8173.9-177.2179.50114.2D235 M240D235-K238 HydrophobicContact CB-CB 4.02Å; D235-K238 PolarHBondContact O-N 3.01Å; K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.19Å
239K57.8Low62.4Low186 Ų186142.1 Ų142.181%0.80974%0.743SS**THydrogen-bonded Turntrans-89.213.4176.7-149.6-165.5173.9-167.90114.3K237 I241K237-K239 PolarHBondContact O-N 3.25Å; K239-I241 PolarHBondContact O-N 3.2Å
240M59.5Low61.7Low163 Ų163144.1 Ų144.180%0.80375%0.746SS**  trans-76.980.4159.1-69.1-177.367.900108K238 Q242K238-M240 VanDerWaalsContact C-N 3.33Å; K238-M240 PolarHBondContact O-N 3.19Å; M240-Q242 PolarHBondContact O-N 3.15Å
241I63Low61Low125 Ų125148.7 Ų148.764%0.64176%0.763SS**  trans-54.3112.1160.4-68.6166.5000105.3K239 L243K239-I241 PolarHBondContact O-N 3.2Å; I241-L243 HydrophobicContact CG2-CD2 4.08Å; I241-L243 HydrophobicContact CG2-CG 4.05Å; I241-L243 PolarHBondContact O-N 3.34Å
242Q59.8Low60.6Low178 Ų178148.5 Ų148.583%0.83277%0.766SS**  trans-61.788.1165.1-82.4-177.3-92.600107.3M240 G244M240-Q242 PolarHBondContact O-N 3.15Å; Q242-G244 PolarHBondContact O-N 3.48Å
243L61Low60.2Low163 Ų163148.7 Ų148.785%0.85377%0.768SS**  trans-72.3104159.3-67167.9000105.7I241I241-L243 HydrophobicContact CG2-CD2 4.08Å; I241-L243 HydrophobicContact CG2-CG 4.05Å; I241-L243 PolarHBondContact O-N 3.34Å
244G61Low60Low70 Ų70145.5 Ų145.572%0.72277%0.768SS**  trans124.377.9167.100000114.4Q242Q242-G244 PolarHBondContact O-N 3.48Å
245A58.6Low59.8Low76 Ų76144.6 Ų144.663%0.62877%0.771SS**  trans-150.343.8151.300000110
246D59.1Low59.5Low173 Ų173150.3 Ų150.393%0.92580%0.801SS**  trans-114.297.1160.9-69.9-15.5000106.2
247N51.2Low59.2Low221 Ų221152.6 Ų152.6100%1.18280%0.8SS**  trans-129.40165.859.5-72.6000108.7

Retrieved 247 of 247 residues in 185.9 ms (Link to these results)