A0A024RB53_HUMAN Loading...

Epididymis secretory sperm binding protein

AlphaFold DB (P09867), UniProt , Accession A0A024RB53, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 320 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
1M37.4Very low58.4Low249 Ų249131.9 Ų131.9100%1.22772%0.717SS**  098.70-76167.3170.600107.8K3M1-K3 PolarHBondContact O-N 3.15Å
2S41.3Very low61Low126 Ų126125.8 Ų125.888%0.88168%0.68SS**  trans-74.3111.3175.2230000108.7S4S2-S4 PolarHBondContact O-N 3.29Å
3K41.5Very low63.4Low204 Ų204120.6 Ų120.689%0.88765%0.652SS**  trans-61.3116.7169.8-110.5177.1176.1179.30107.4M1 E5M1-K3 PolarHBondContact O-N 3.15Å; K3-E5 PolarHBondContact O-N 2.76Å; K3-E5 VanDerWaalsContact O-N 3.11Å
4S40.2Very low65.7Low112 Ų112113.6 Ų113.678%0.78361%0.611SS**  trans-52.8113.4168.249.30000108.8S2 S6S2-S4 PolarHBondContact O-N 3.29Å; S4-S6 PolarHBondContact O-N 2.86Å; S4-S6 VanDerWaalsContact O-N 3.16Å
5E46Very low67.8Low141 Ų141108.5 Ų108.566%0.65958%0.581SS**  trans-76.699.5-178.8-153.9170.4-164.600107.6K3 K8K3-E5 PolarHBondContact O-N 2.76Å; K3-E5 VanDerWaalsContact O-N 3.11Å; E5-K8 HydrophobicContact CG-CD 4Å; E5-K8 HydrophobicContact CG-CG 4.18Å; E5-K8 WeakPolarHBondContact OE1-CD 3.32Å; E5-K8 WeakPolarHBondContact OE1-CE 3.4Å; E5-K8 IonicContact OE1-NZ 3.16Å; E5-K8 PolarHBondContact OE1-NZ 3.28Å
6S52.7Low69.7Low91 Ų91101.8 Ų101.864%0.63655%0.545SS*.  trans-47.7147.7165.4-29.10000108.6S4 K8S4-S6 PolarHBondContact O-N 2.86Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S6-K8 PolarHBondContact O-N 3.18Å
7P53.7Low71.3Confident133 Ų13398 Ų9886%0.86452%0.523SS*.  trans-54.5104175.122.7-31.5000108.4E9P7-E9 PolarHBondContact O-N 3.41Å
8K67.6Low72.8Confident135 Ų13592.6 Ų92.659%0.58749%0.494SS*.PPolyproline II helixtrans-65.2129.3-172.8-78.7177.1167.3173.50107.7E5 S6E5-K8 HydrophobicContact CG-CD 4Å; E5-K8 HydrophobicContact CG-CG 4.18Å; E5-K8 WeakPolarHBondContact OE1-CD 3.32Å; E5-K8 WeakPolarHBondContact OE1-CE 3.4Å; E5-K8 IonicContact OE1-NZ 3.16Å; E5-K8 PolarHBondContact OE1-NZ 3.28Å; S6-K8 PolarHBondContact O-N 3.18Å
9E81.5Confident74.1Confident79 Ų7987.7 Ų87.737%0.36947%0.468SS..PPolyproline II helixtrans-49.2141.4172.7-60.1166.6134.400109.5P7 E11 R14 T64 V65P7-E9 PolarHBondContact O-N 3.41Å; E9-E11 PolarHBondContact O-N 2.78Å; E9-R14 HydrophobicContact CB-CG 4.29Å; E9-R14 PolarHBondContact O-NE 3.38Å; E9-R14 PolarHBondContact O-NH2 2.72Å; E9-R14 VanDerWaalsContact O-NH2 3.15Å; E9-T64 WeakPolarHBondContact OE2-CA 3.33Å; E9-V65 HydrophobicContact CB-CG2 4.14Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.35Å; E9-V65 VanDerWaalsContact OE2-CG2 3.3Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.49Å; E9-V65 PolarHBondContact OE2-N 3.14Å
10P89.5Confident75.2Confident83 Ų8384.7 Ų84.754%0.53946%0.459SS..PPolyproline II helixtrans-47.7134.3179.7-27.631.6000111.7Q12 L13P10-Q12 PolarHBondContact O-N 3.39Å; P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.21Å; P10-L13 PolarHBondContact O-N 2.82Å
11E90.6Very high76.3Confident98 Ų9880.9 Ų80.946%0.45844%0.438SS..G310 helixtrans-51-38-179.4-170.8-162.5139.400111.6E9 L13 R14 K15 T61E9-E11 PolarHBondContact O-N 2.78Å; E11-L13 VanDerWaalsContact C-N 3.25Å; E11-L13 PolarHBondContact O-N 2.91Å; E11-R14 CarbonylContact O-C 3.58Å; E11-R14 WeakPolarHBondContact O-CA 3.35Å; E11-R14 PolarHBondContact O-N 3.31Å; E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 PolarHBondContact O-N 3.42Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.88Å; E11-K15 PolarHBondContact OE1-NZ 3.23Å; E11-T61 HydrophobicContact CG-CG2 3.67Å
12Q90.1Very high79.1Confident58 Ų5870.1 Ų70.127%0.27139%0.387SS..G310 helixtrans-54.9-37.6178.4-170.86252.900113.5P10 R14 A89 V90P10-Q12 PolarHBondContact O-N 3.39Å; Q12-R14 VanDerWaalsContact C-N 3.31Å; Q12-A89 PolarHBondContact NE2-O 3.39Å; Q12-V90 PolarHBondContact NE2-O 2.77Å
13L92.6Very high81.7Confident59 Ų5970.7 Ų70.731%0.30937%0.374SS..G310 helixtrans-75.5-24.9179.2-61.7-178.4000112.3P10 E11 V65 I164P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.21Å; P10-L13 PolarHBondContact O-N 2.82Å; E11-L13 VanDerWaalsContact C-N 3.25Å; E11-L13 PolarHBondContact O-N 2.91Å; L13-V65 HydrophobicContact CB-CG2 3.65Å; L13-I164 HydrophobicContact CD2-CB 4.3Å; L13-I164 HydrophobicContact CD2-CD1 4.02Å; L13-I164 HydrophobicContact CD2-CG2 3.47Å; L13-I164 VanDerWaalsContact CD2-CG2 3.47Å
14R95.4Very high84.2Confident23 Ų2368.7 Ų68.79%0.08737%0.368CS..G310 helixtrans-94.73.3-178.2-63.9-172.9-72.3104.91.1113.5E9 E11 Q12 T61 Y62 A63 V65 V68E9-R14 HydrophobicContact CB-CG 4.29Å; E9-R14 PolarHBondContact O-NE 3.38Å; E9-R14 PolarHBondContact O-NH2 2.72Å; E9-R14 VanDerWaalsContact O-NH2 3.15Å; E11-R14 CarbonylContact O-C 3.58Å; E11-R14 WeakPolarHBondContact O-CA 3.35Å; E11-R14 PolarHBondContact O-N 3.31Å; Q12-R14 VanDerWaalsContact C-N 3.31Å; R14-T61 HydrophobicContact CB-CG2 4.35Å; R14-T61 CarbonylContact O-C 3.45Å; R14-T61 WeakPolarHBondContact O-CA 3.4Å; R14-Y62 PolarHBondContact NH1-O 3.38Å; R14-Y62 PolarHBondContact O-N 2.87Å; R14-A63 WeakPolarHBondContact CD-O 3.4Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; R14-V68 VanDerWaalsContact C-CG2 3.5Å; R14-V68 HydrophobicContact CB-CG2 4.46Å; R14-V68 WeakPolarHBondContact O-CG2 3.38Å
15K96.7Very high86.9Confident37 Ų3763.4 Ų63.416%0.16133%0.331CS..EExtended strand (participates in β ladder)trans-109.5130.1-172.4-167.7171-153.81480111.4E11 F59 V60 T61 A89E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 PolarHBondContact O-N 3.42Å; E11-K15 VanDerWaalsContact O-N 3.14Å; E11-K15 IonicContact OE1-NZ 2.88Å; E11-K15 PolarHBondContact OE1-NZ 3.23Å; K15-F59 HydrophobicContact CD-CD1 4.35Å; K15-F59 HydrophobicContact CG-CB 4.46Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; K15-V60 CarbonylContact C-O 3.58Å; K15-V60 WeakPolarHBondContact CA-O 3.03Å; K15-T61 HydrophobicContact CB-CG2 4.42Å; K15-A89 HydrophobicContact CB-CB 3.86Å; K15-A89 HydrophobicContact CD-CB 4.23Å; K15-A89 HydrophobicContact CG-CB 3.81Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 3.21Å; K15-A89 PolarHBondContact O-N 3Å
16L97.7Very high89.4Confident0 Ų059 Ų590%031%0.313CS..EExtended strand (participates in β ladder)trans-107.7138.2171.7-66.5180000110.5I18 F59 V60 Y62 V68 A71 M72 K87 R88L16-I18 HydrophobicContact CB-CD1 3.9Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.48Å; L16-V60 HydrophobicContact CB-CG2 3.79Å; L16-V60 HydrophobicContact CD1-CG2 4.4Å; L16-V60 PolarHBondContact N-O 3.01Å; L16-V60 PolarHBondContact O-N 3.35Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; L16-V68 HydrophobicContact CD1-CG1 4.22Å; L16-V68 HydrophobicContact CD2-CG1 3.53Å; L16-V68 HydrophobicContact CG-CG1 3.86Å; L16-A71 HydrophobicContact CD1-CB 4.14Å; L16-M72 HydrophobicContact CD1-CG 4.32Å; L16-M72 HydrophobicContact CD1-SD 4.08Å; L16-M72 HydrophobicContact CD2-CG 3.97Å; L16-M72 HydrophobicContact CD2-SD 3.67Å; L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.32Å; L16-K87 WeakPolarHBondContact CA-O 3.22Å; L16-K87 WeakPolarHBondContact CD2-O 3.41Å; L16-R88 HydrophobicContact CD2-CG 4.25Å
17F97.6Very high91.5Very high38 Ų3857.2 Ų57.217%0.16730%0.297CS..EExtended strand (participates in β ladder)trans-84.2129.7160.8168.1-92.2000108.5G19 F57 F59 P86 K87F17-G19 VanDerWaalsContact CE1-CA 3.49Å; F17-F57 HydrophobicContact CD2-CD2 4.11Å; F17-F57 HydrophobicContact CE2-CB 3.8Å; F17-F57 AromaticContact CE2-CD2 3.44Å; F17-F57 HydrophobicContact CE2-CD2 3.44Å; F17-F57 VanDerWaalsContact CE2-CD2 3.44Å; F17-F57 HydrophobicContact CE2-CE2 4.22Å; F17-F57 AromaticContact CE2-CG 3.85Å; F17-F57 HydrophobicContact CE2-CG 3.85Å; F17-F57 HydrophobicContact CZ-CB 3.88Å; F17-F57 HydrophobicContact CZ-CD2 4.33Å; F17-F57 HydrophobicContact CZ-CG 4.31Å; F17-F59 HydrophobicContact CB-CD1 4.19Å; F17-F59 HydrophobicContact CB-CE1 3.89Å; F17-F59 AromaticContact CD2-CE1 3.85Å; F17-F59 HydrophobicContact CD2-CE1 3.85Å; F17-F59 AromaticContact CD2-CZ 3.88Å; F17-F59 HydrophobicContact CD2-CZ 3.88Å; F17-F59 HydrophobicContact CG-CE1 4.38Å; F17-P86 CarbonylContact O-C 3.52Å; F17-P86 WeakPolarHBondContact O-CA 3.43Å; F17-K87 HydrophobicContact CD1-CB 4.42Å; F17-K87 PolarHBondContact N-O 3.06Å; F17-K87 PolarHBondContact O-N 2.83Å
18I98.1Very high93.6Very high0 Ų057 Ų570%028%0.284CS..EExtended strand (participates in β ladder)trans-112.9104176.9-45.5-58.5000108.7L16 L21 L30 F34 F57 G58 V60 V84 P86L16-I18 HydrophobicContact CB-CD1 3.9Å; I18-L21 HydrophobicContact CB-CD2 4.27Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.24Å; I18-L30 HydrophobicContact CG1-CD1 4.47Å; I18-L30 HydrophobicContact CG2-CD1 4.28Å; I18-F34 HydrophobicContact CD1-CE1 3.92Å; I18-F34 HydrophobicContact CD1-CE2 3.91Å; I18-F34 HydrophobicContact CD1-CZ 3.5Å; I18-F34 VanDerWaalsContact CD1-CZ 3.5Å; I18-F34 HydrophobicContact CG1-CE2 4Å; I18-F34 HydrophobicContact CG1-CZ 4.1Å; I18-F34 HydrophobicContact CG2-CE2 4.01Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; I18-F57 CarbonylContact O-C 3.59Å; I18-F57 WeakPolarHBondContact O-CA 3.38Å; I18-F57 WeakPolarHBondContact O-CB 3.11Å; I18-G58 PolarHBondContact N-O 2.83Å; I18-G58 PolarHBondContact O-N 3.13Å; I18-V60 HydrophobicContact CD1-CG2 3.95Å; I18-V60 HydrophobicContact CG1-CG1 4.25Å; I18-V60 HydrophobicContact CG1-CG2 4.13Å; I18-V84 HydrophobicContact CG2-CB 3.89Å; I18-V84 HydrophobicContact CG2-CG1 4.47Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; I18-P86 HydrophobicContact CD1-CB 3.7Å
19G97.2Very high95Very high1 Ų151.8 Ų51.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-89.3156.717700000112.9F17 L21 V84 E85F17-G19 VanDerWaalsContact CE1-CA 3.49Å; G19-L21 PolarHBondContact O-N 3.03Å; G19-V84 WeakPolarHBondContact O-CA 3.31Å; G19-V84 WeakPolarHBondContact O-CB 3.4Å; G19-E85 PolarHBondContact N-O 3.43Å; G19-E85 PolarHBondContact O-N 2.79Å
20G96.4Very high95.8Very high27 Ų2748 Ų4828%0.27825%0.247SC..SBendtrans74.424.1171.100000114.6G56 R82G20-G56 PolarHBondContact N-O 2.93Å; G20-R82 WeakPolarHBondContact O-CD 3.32Å; G20-R82 WeakPolarHBondContact O-CG 3.5Å; G20-R82 PolarHBondContact O-NE 2.91Å
21L97.7Very high96.2Very high5 Ų547.9 Ų47.93%0.02624%0.236CC..  trans-59.2152.4174.5-62.1-177.9000111.5I18 G19 T25 L30 V45 G56 V84I18-L21 HydrophobicContact CB-CD2 4.27Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.24Å; G19-L21 PolarHBondContact O-N 3.03Å; L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.2Å; L21-T25 HydrophobicContact CD2-CG2 4.24Å; L21-L30 HydrophobicContact CD1-CD1 4.43Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.8Å; L21-V45 HydrophobicContact CD1-CG1 4.24Å; L21-V45 HydrophobicContact CD1-CG2 4.12Å; L21-G56 PolarHBondContact N-O 3.19Å; L21-V84 HydrophobicContact CD2-CB 4.38Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å
22S96.6Very high96.5Very high22 Ų2247.1 Ų47.115%0.15424%0.241CC..  trans-63.7150.4167.5-176.40000109.5E24 T25S22-E24 PolarHBondContact O-N 3.48Å; S22-E24 PolarHBondContact OG-N 3.46Å; S22-T25 WeakPolarHBondContact CB-OG1 3.12Å; S22-T25 PolarHBondContact N-OG1 3.24Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.19Å; S22-T25 VanDerWaalsContact O-N 3.14Å; S22-T25 PolarHBondContact O-OG1 2.78Å
23F95.6Very high96.9Very high138 Ų13845.9 Ų45.961%0.60524%0.236SC*.THydrogen-bonded Turntrans-66.3-18.6172.7-65.5-50.1000112.6S54F23-S54 WeakPolarHBondContact CD1-O 3.49Å; F23-S54 WeakPolarHBondContact O-CB 3.37Å
24E95.1Very high97.2Very high163 Ų16343.1 Ų43.176%0.76222%0.221SC*.THydrogen-bonded Turntrans-85.7-15.6176.5-62.2177.5173.700112.8S22 T26S22-E24 PolarHBondContact O-N 3.48Å; S22-E24 PolarHBondContact OG-N 3.46Å; E24-T26 PolarHBondContact O-N 3.23Å
25T97.1Very high97.3Very high0 Ų046 Ų460%024%0.236CC..  trans-59.7132.5-179.7-62.30000111.1L21 S22 L30 V45 R47 V79 D80L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.2Å; L21-T25 HydrophobicContact CD2-CG2 4.24Å; S22-T25 WeakPolarHBondContact CB-OG1 3.12Å; S22-T25 PolarHBondContact N-OG1 3.24Å; S22-T25 WeakPolarHBondContact O-CB 3.18Å; S22-T25 PolarHBondContact O-N 3.19Å; S22-T25 VanDerWaalsContact O-N 3.14Å; S22-T25 PolarHBondContact O-OG1 2.78Å; T25-L30 HydrophobicContact CG2-CB 4.04Å; T25-V45 HydrophobicContact CG2-CG2 4.11Å; T25-R47 PolarHBondContact O-NH2 2.85Å; T25-V79 HydrophobicContact CG2-CG1 4.1Å; T25-D80 WeakPolarHBondContact CA-OD2 3.29Å; T25-D80 VanDerWaalsContact CB-OD2 3.22Å; T25-D80 WeakPolarHBondContact CB-OD2 3.26Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.17Å; T25-D80 PolarHBondContact OG1-OD2 3.26Å
26T97.1Very high97.3Very high48 Ų4850.5 Ų50.529%0.29426%0.257SS..  trans-110.2169.4177.877.70000111.1E24 E28 S29 L30 V45E24-T26 PolarHBondContact O-N 3.23Å; T26-E28 WeakPolarHBondContact CB-OE2 3.48Å; T26-E28 PolarHBondContact O-N 2.9Å; T26-E28 PolarHBondContact OG1-N 2.96Å; T26-E28 PolarHBondContact OG1-OE2 3.26Å; T26-S29 PolarHBondContact N-OG 3.41Å; T26-S29 PolarHBondContact O-N 2.98Å; T26-S29 PolarHBondContact O-OG 3.44Å; T26-S29 PolarHBondContact OG1-N 3.36Å; T26-L30 VanDerWaalsContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CB 3.13Å; T26-L30 PolarHBondContact O-N 3.27Å; T26-V45 WeakPolarHBondContact O-CG2 3.39Å
27D97.3Very high97.3Very high54 Ų5453.5 Ų53.529%0.28927%0.269SS..Hα-helixtrans-62.7-34178.1-59.2-11000109.8R31 C43 V45D27-R31 WeakPolarHBondContact O-CB 3.47Å; D27-R31 PolarHBondContact O-N 2.97Å; D27-C43 PolarHBondContact O-SG 3.39Å; D27-C43 VanDerWaalsContact O-SG 3.37Å; D27-V45 WeakPolarHBondContact OD1-CA 3.42Å; D27-V45 WeakPolarHBondContact OD1-CB 2.99Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.42Å; D27-V45 PolarHBondContact OD1-N 3.4Å
28E97.6Very high97.3Very high129 Ų12952.5 Ų52.560%0.60327%0.269SS*.Hα-helixtrans-71.6-46.7177.6-5575.5-162.500112.5T26 L30 R31 S32T26-E28 WeakPolarHBondContact CB-OE2 3.48Å; T26-E28 PolarHBondContact O-N 2.9Å; T26-E28 PolarHBondContact OG1-N 2.96Å; T26-E28 PolarHBondContact OG1-OE2 3.26Å; E28-L30 VanDerWaalsContact C-N 3.35Å; E28-R31 PolarHBondContact O-N 3.22Å; E28-S32 VanDerWaalsContact O-CB 3.29Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 3.32Å
29S97.4Very high97.3Very high26 Ų2656.9 Ų56.918%0.18230%0.295CS..Hα-helixtrans-67.1-39.2179.3700000111.4T26 H33 D80T26-S29 PolarHBondContact N-OG 3.41Å; T26-S29 PolarHBondContact O-N 2.98Å; T26-S29 PolarHBondContact O-OG 3.44Å; T26-S29 PolarHBondContact OG1-N 3.36Å; S29-H33 PolarHBondContact O-N 2.91Å; S29-H33 VanDerWaalsContact O-N 3.14Å; S29-D80 WeakPolarHBondContact CB-OD1 3.35Å; S29-D80 WeakPolarHBondContact CB-OD2 3.25Å; S29-D80 PolarHBondContact OG-OD2 3.33Å
30L98.1Very high97.3Very high0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-62.9-47.6174.1-174.465.2000111.4I18 L21 T25 T26 E28 H33 F34 V45 V60 V79I18-L30 HydrophobicContact CG1-CD1 4.47Å; I18-L30 HydrophobicContact CG2-CD1 4.28Å; L21-L30 HydrophobicContact CD1-CD1 4.43Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.8Å; T25-L30 HydrophobicContact CG2-CB 4.04Å; T26-L30 VanDerWaalsContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CB 3.13Å; T26-L30 PolarHBondContact O-N 3.27Å; E28-L30 VanDerWaalsContact C-N 3.35Å; L30-H33 PolarHBondContact O-N 3.13Å; L30-F34 HydrophobicContact CD1-CD2 3.59Å; L30-F34 HydrophobicContact CD1-CE2 3.52Å; L30-F34 HydrophobicContact CG-CD2 4.19Å; L30-F34 WeakPolarHBondContact O-CD2 3.43Å; L30-F34 PolarHBondContact O-N 2.84Å; L30-F34 VanDerWaalsContact O-N 3.09Å; L30-V45 HydrophobicContact CB-CG2 4.29Å; L30-V45 HydrophobicContact CD2-CG2 3.94Å; L30-V60 HydrophobicContact CD2-CG1 3.96Å; L30-V60 HydrophobicContact CG-CG1 3.94Å; L30-V79 HydrophobicContact CD1-CG1 4.42Å
31R98.2Very high97.3Very high79 Ų7959.7 Ų59.730%0.29831%0.307SS..Hα-helixtrans-58.9-52177.1173.6-179.7-72.1-90.42.2111D27 E28 H33 F34 E35 L40 C43D27-R31 WeakPolarHBondContact O-CB 3.47Å; D27-R31 PolarHBondContact O-N 2.97Å; E28-R31 PolarHBondContact O-N 3.22Å; R31-H33 PolarHBondContact O-N 2.85Å; R31-F34 PolarHBondContact O-N 3.01Å; R31-E35 VanDerWaalsContact CD-OE1 3.25Å; R31-E35 WeakPolarHBondContact CD-OE1 3.19Å; R31-E35 HydrophobicContact CG-CG 3.91Å; R31-E35 WeakPolarHBondContact CG-OE1 3.45Å; R31-E35 IonicContact CZ-OE1 3.8Å; R31-E35 IonicContact NE-OE1 2.59Å; R31-E35 IonicContact NH1-OE1 3.97Å; R31-E35 PolarHBondContact NH1-OE1 3.03Å; R31-E35 WeakPolarHBondContact O-CB 3.37Å; R31-E35 WeakPolarHBondContact O-CG 2.95Å; R31-E35 PolarHBondContact O-N 2.78Å; R31-L40 HydrophobicContact CB-CD1 4.33Å; R31-L40 HydrophobicContact CG-CD1 4.16Å; R31-L40 PolarHBondContact NH1-O 3.16Å; R31-C43 HydrophobicContact CB-CB 4.11Å
32S97.7Very high97.3Very high82 Ų8262.6 Ų62.657%0.57332%0.323SS*.Hα-helixtrans-58.6-31.4-178.2-176.90000112.8E28E28-S32 VanDerWaalsContact O-CB 3.29Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 3.32Å
33H98.2Very high97.3Very high33 Ų3362.1 Ų62.115%0.15332%0.319CS..Hα-helixtrans-73.7-53.2174.8-17481.5000111.7S29 L30 R31 E35 Q36 W37 H77 K78 V79S29-H33 PolarHBondContact O-N 2.91Å; S29-H33 VanDerWaalsContact O-N 3.14Å; L30-H33 PolarHBondContact O-N 3.13Å; R31-H33 PolarHBondContact O-N 2.85Å; H33-E35 PolarHBondContact O-N 2.66Å; H33-Q36 WeakPolarHBondContact O-CB 3.27Å; H33-Q36 VanDerWaalsContact O-CG 3.23Å; H33-Q36 WeakPolarHBondContact O-CG 3.3Å; H33-Q36 PolarHBondContact O-N 2.77Å; H33-W37 AromaticContact CD2-CH2 4Å; H33-W37 AromaticContact CD2-CZ3 3.66Å; H33-W37 AromaticContact CE1-CH2 3.97Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.69Å; H33-W37 WeakPolarHBondContact O-CZ3 3.4Å; H33-H77 AromaticContact NE2-CG 3.87Å; H33-H77 AromaticContact NE2-ND1 3.38Å; H33-H77 PolarHBondContact NE2-ND1 3.39Å; H33-K78 PolarHBondContact CE1-O 2.81Å; H33-K78 PolarHBondContact ND1-O 2.68Å; H33-V79 HydrophobicContact CB-CG1 4.47Å; H33-V79 HydrophobicContact CB-CG2 4.2Å; H33-V79 VanDerWaalsContact CD2-CG2 3.47Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.36Å
34F98.2Very high97.4Very high0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-76.5-20-172.9-81.1-77.6000114.1I18 L30 R31 Q36 W37 L40 V60 Y62 H77 V79 V84I18-F34 HydrophobicContact CD1-CE1 3.92Å; I18-F34 HydrophobicContact CD1-CE2 3.91Å; I18-F34 HydrophobicContact CD1-CZ 3.5Å; I18-F34 VanDerWaalsContact CD1-CZ 3.5Å; I18-F34 HydrophobicContact CG1-CE2 4Å; I18-F34 HydrophobicContact CG1-CZ 4.1Å; I18-F34 HydrophobicContact CG2-CE2 4.01Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; L30-F34 HydrophobicContact CD1-CD2 3.59Å; L30-F34 HydrophobicContact CD1-CE2 3.52Å; L30-F34 HydrophobicContact CG-CD2 4.19Å; L30-F34 WeakPolarHBondContact O-CD2 3.43Å; L30-F34 PolarHBondContact O-N 2.84Å; L30-F34 VanDerWaalsContact O-N 3.09Å; R31-F34 PolarHBondContact O-N 3.01Å; F34-Q36 PolarHBondContact O-N 3.26Å; F34-Q36 VanDerWaalsContact O-N 3.13Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.83Å; F34-L40 HydrophobicContact CB-CD1 3.94Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CD1-CG2 4.38Å; F34-V60 HydrophobicContact CD2-CG1 4.09Å; F34-V60 HydrophobicContact CG-CG1 4.25Å; F34-V60 HydrophobicContact CG-CG2 4.26Å; F34-Y62 WeakPolarHBondContact CB-OH 3.46Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.18Å; F34-Y62 WeakPolarHBondContact O-CE1 3.34Å; F34-Y62 PolarHBondContact O-OH 3.15Å; F34-H77 AromaticContact CE1-ND1 3.93Å; F34-H77 HydrophobicContact CZ-CB 4.43Å; F34-V79 HydrophobicContact CE2-CG2 4.06Å; F34-V84 HydrophobicContact CZ-CG2 4.31Å
35E97.6Very high97.6Very high84 Ų8450 Ų5039%0.39327%0.267SS..G310 helixtrans-63.7-12.9172.2-79.8-179.7174.200113.3R31 H33 W37 G38 L40R31-E35 VanDerWaalsContact CD-OE1 3.25Å; R31-E35 WeakPolarHBondContact CD-OE1 3.19Å; R31-E35 HydrophobicContact CG-CG 3.91Å; R31-E35 WeakPolarHBondContact CG-OE1 3.45Å; R31-E35 IonicContact CZ-OE1 3.8Å; R31-E35 IonicContact NE-OE1 2.59Å; R31-E35 IonicContact NH1-OE1 3.97Å; R31-E35 PolarHBondContact NH1-OE1 3.03Å; R31-E35 WeakPolarHBondContact O-CB 3.37Å; R31-E35 WeakPolarHBondContact O-CG 2.95Å; R31-E35 PolarHBondContact O-N 2.78Å; H33-E35 PolarHBondContact O-N 2.66Å; E35-W37 PolarHBondContact O-N 2.74Å; E35-G38 CarbonylContact C-O 3.57Å; E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.18Å; E35-G38 PolarHBondContact O-N 3.23Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.92Å; E35-L40 HydrophobicContact CG-CG 3.76Å
36Q97.7Very high97.6Very high131 Ų13152.7 Ų52.761%0.61228%0.281SS*.G310 helixtrans-62.6-22.1174.1-65.8174.128.400113.6H33 F34H33-Q36 WeakPolarHBondContact O-CB 3.27Å; H33-Q36 VanDerWaalsContact O-CG 3.23Å; H33-Q36 WeakPolarHBondContact O-CG 3.3Å; H33-Q36 PolarHBondContact O-N 2.77Å; F34-Q36 PolarHBondContact O-N 3.26Å; F34-Q36 VanDerWaalsContact O-N 3.13Å
37W98Very high97.6Very high64 Ų6454.6 Ų54.624%0.24228%0.282CS..G310 helixtrans-1101-178-61.5-79.5000114H33 F34 E35 Y62 A70 A71 A74 H77H33-W37 AromaticContact CD2-CH2 4Å; H33-W37 AromaticContact CD2-CZ3 3.66Å; H33-W37 AromaticContact CE1-CH2 3.97Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.69Å; H33-W37 WeakPolarHBondContact O-CZ3 3.4Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.83Å; E35-W37 PolarHBondContact O-N 2.74Å; W37-Y62 HydrophobicContact CB-CE1 4.5Å; W37-A70 HydrophobicContact CB-CB 4.35Å; W37-A71 HydrophobicContact CB-CB 4.01Å; W37-A71 HydrophobicContact CD2-CB 4.44Å; W37-A71 HydrophobicContact CG-CB 4.21Å; W37-A74 HydrophobicContact CD2-CB 4.42Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.78Å; W37-H77 AromaticContact CD2-CE1 3.98Å; W37-H77 AromaticContact CE2-CE1 3.81Å; W37-H77 AromaticContact CE3-CE1 3.74Å; W37-H77 AromaticContact CH2-CE1 3.31Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.33Å; W37-H77 AromaticContact CH2-ND1 3.07Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.2Å; W37-H77 AromaticContact CZ2-CE1 3.48Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.48Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.24Å; W37-H77 AromaticContact CZ2-ND1 3.65Å; W37-H77 AromaticContact CZ3-CE1 3.41Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.41Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.44Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.37Å
38G96.7Very high97.4Very high16 Ų1654.5 Ų54.517%0.16528%0.282CS..SBendtrans158.9178.6-178.800000114.3E35 E67E35-G38 CarbonylContact C-O 3.57Å; E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.18Å; E35-G38 PolarHBondContact O-N 3.23Å; G38-E67 VanDerWaalsContact CA-OE1 3.24Å; G38-E67 WeakPolarHBondContact CA-OE1 3.39Å
39T97.4Very high97.3Very high92 Ų9252.6 Ų52.656%0.56428%0.281SS*.  trans-83.8118.3-177.8-55.30000111T41 Y62 A63 E67T39-T41 PolarHBondContact O-N 2.64Å; T39-Y62 CarbonylContact O-C 3.58Å; T39-Y62 WeakPolarHBondContact O-CA 3.48Å; T39-A63 PolarHBondContact O-N 2.81Å; T39-E67 PolarHBondContact N-OE1 3.49Å
40L97.4Very high97.1Very high9 Ų958.3 Ų58.35%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-83.3116.2175.7-65.8-173.6000112.3R31 F34 E35 C43 V60 T61 Y62R31-L40 HydrophobicContact CB-CD1 4.33Å; R31-L40 HydrophobicContact CG-CD1 4.16Å; R31-L40 PolarHBondContact NH1-O 3.16Å; F34-L40 HydrophobicContact CB-CD1 3.94Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.92Å; E35-L40 HydrophobicContact CG-CG 3.76Å; L40-C43 HydrophobicContact CD1-CB 4.23Å; L40-V60 HydrophobicContact CD1-CB 4.24Å; L40-V60 HydrophobicContact CD1-CG1 4.22Å; L40-V60 HydrophobicContact CD2-CB 3.95Å; L40-T61 CarbonylContact C-O 3.57Å; L40-T61 WeakPolarHBondContact CA-O 3.38Å; L40-Y62 HydrophobicContact CD2-CD1 3.58Å; L40-Y62 HydrophobicContact CD2-CD2 4.04Å; L40-Y62 HydrophobicContact CD2-CE1 3.51Å; L40-Y62 HydrophobicContact CD2-CE2 4Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.37Å
41T96.9Very high97Very high78 Ų7862.9 Ų62.948%0.47934%0.337SS..EExtended strand (participates in β ladder)trans-78.1-28.6171.6600000112.9T39 T61 Y62 A63T39-T41 PolarHBondContact O-N 2.64Å; T41-T61 PolarHBondContact N-O 2.8Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.09Å; T41-T61 PolarHBondContact OG1-O 3.2Å; T41-Y62 PolarHBondContact OG1-O 3.02Å; T41-A63 HydrophobicContact CG2-CB 4.14Å
42D97Very high96.7Very high67 Ų6765.8 Ų65.836%0.35835%0.352SS..EExtended strand (participates in β ladder)trans-149.7147.9175.7-171.626.4000110.2T61D42-T61 PolarHBondContact N-O 2.8Å; D42-T61 PolarHBondContact O-N 3.36Å
43C97.7Very high96.5Very high11 Ų1170.1 Ų70.17%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-155.4123.5178.1-1780000109D27 R31 L40 F59D27-C43 PolarHBondContact O-SG 3.39Å; D27-C43 VanDerWaalsContact O-SG 3.37Å; R31-C43 HydrophobicContact CB-CB 4.11Å; L40-C43 HydrophobicContact CD1-CB 4.23Å; C43-F59 WeakPolarHBondContact CA-O 3.36Å
44V97.8Very high96.3Very high42 Ų4268.8 Ų68.826%0.25535%0.35SS..EExtended strand (participates in β ladder)trans-146.9129.7-176.960.60000111.8M46 G58 F59V44-M46 HydrophobicContact CG1-SD 4.39Å; V44-M46 HydrophobicContact CG2-SD 4.23Å; V44-G58 CarbonylContact O-C 3.53Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å; V44-F59 HydrophobicContact CG1-CB 4.16Å; V44-F59 HydrophobicContact CG1-CD2 4.5Å; V44-F59 PolarHBondContact N-O 3.27Å; V44-F59 PolarHBondContact O-N 3.45Å
45V98Very high96.2Very high5 Ų574.2 Ų74.23%0.0337%0.371CS..EExtended strand (participates in β ladder)trans-90.3123.4165.9179.40000108.5L21 T25 T26 D27 L30 R47L21-V45 HydrophobicContact CD1-CG1 4.24Å; L21-V45 HydrophobicContact CD1-CG2 4.12Å; T25-V45 HydrophobicContact CG2-CG2 4.11Å; T26-V45 WeakPolarHBondContact O-CG2 3.39Å; D27-V45 WeakPolarHBondContact OD1-CA 3.42Å; D27-V45 WeakPolarHBondContact OD1-CB 2.99Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.42Å; D27-V45 PolarHBondContact OD1-N 3.4Å; L30-V45 HydrophobicContact CB-CG2 4.29Å; L30-V45 HydrophobicContact CD2-CG2 3.94Å; V45-R47 PolarHBondContact O-N 3.12Å
46M97.3Very high96.2Very high57 Ų5770.8 Ų70.828%0.28136%0.358SS..EExtended strand (participates in β ladder)trans-74.5121.6-179.7-63-57-62.400109.7V44 R55 F57 F59V44-M46 HydrophobicContact CG1-SD 4.39Å; V44-M46 HydrophobicContact CG2-SD 4.23Å; M46-R55 VanDerWaalsContact O-CB 3.28Å; M46-R55 WeakPolarHBondContact O-CB 3.48Å; M46-R55 PolarHBondContact O-N 3.34Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.07Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.71Å; M46-F57 HydrophobicContact CB-CG 4.42Å; M46-F57 HydrophobicContact CB-CZ 3.65Å; M46-F57 WeakPolarHBondContact CB-O 3.29Å; M46-F57 HydrophobicContact CG-CD2 3.82Å; M46-F57 HydrophobicContact CG-CE2 3.38Å; M46-F57 HydrophobicContact CG-CZ 3.8Å; M46-F57 PolarHBondContact N-O 2.86Å; M46-F59 HydrophobicContact CG-CD2 4.27Å; M46-F59 HydrophobicContact CG-CE2 4.2Å; M46-F59 HydrophobicContact SD-CD2 4.43Å
47R97.1Very high96.2Very high87 Ų8766 Ų6633%0.32834%0.335SS..EExtended strand (participates in β ladder)trans-115.2152.3179.7-65.6173.6-175.2-80-9.5110.7T25 V45 K52 R53T25-R47 PolarHBondContact O-NH2 2.85Å; V45-R47 PolarHBondContact O-N 3.12Å; R47-K52 WeakPolarHBondContact CD-O 3.24Å; R47-K52 PolarHBondContact NH1-O 2.85Å; R47-R53 CarbonylContact C-O 3.45Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.38Å
48D93.8Very high96.2Very high53 Ų5362.9 Ų62.928%0.28332%0.323SS..  trans-64.8129.1170.3177.4-92000109.3N50 T51 K52 R53D48-N50 PolarHBondContact O-N 3.33Å; D48-N50 WeakPolarHBondContact OD1-CA 3.24Å; D48-N50 WeakPolarHBondContact OD1-CB 3.5Å; D48-N50 PolarHBondContact OD1-N 2.97Å; D48-T51 VanDerWaalsContact CB-OG1 3.29Å; D48-T51 WeakPolarHBondContact CB-OG1 3.32Å; D48-T51 PolarHBondContact OD1-N 3.33Å; D48-T51 PolarHBondContact OD1-OG1 3.35Å; D48-K52 VanDerWaalsContact O-CA 3.23Å; D48-K52 WeakPolarHBondContact O-CA 3.47Å; D48-K52 PolarHBondContact O-N 2.82Å; D48-R53 PolarHBondContact N-O 2.84Å
49P94.2Very high96.2Very high89 Ų8964.6 Ų64.658%0.57833%0.326SS*.THydrogen-bonded Turntrans-64.8-27.2-172.624.2-33.5000113K52P49-K52 WeakPolarHBondContact O-CE 3.34Å; P49-K52 PolarHBondContact O-NZ 3.04Å
50N95.2Very high96.3Very high145 Ų14560.2 Ų60.278%0.77530%0.299SS*.THydrogen-bonded Turntrans-89.7-52.1-175.8-59.1-41.8000111.7D48D48-N50 PolarHBondContact O-N 3.33Å; D48-N50 WeakPolarHBondContact OD1-CA 3.24Å; D48-N50 WeakPolarHBondContact OD1-CB 3.5Å; D48-N50 PolarHBondContact OD1-N 2.97Å
51T94.8Very high96.3Very high96 Ų9659.9 Ų59.959%0.58930%0.297SS*.THydrogen-bonded Turntrans-89.4-12.7-174.263.30000113.6D48 R53D48-T51 VanDerWaalsContact CB-OG1 3.29Å; D48-T51 WeakPolarHBondContact CB-OG1 3.32Å; D48-T51 PolarHBondContact OD1-N 3.33Å; D48-T51 PolarHBondContact OD1-OG1 3.35Å; T51-R53 PolarHBondContact O-N 3.04Å; T51-R53 PolarHBondContact OG1-N 2.91Å
52K92.4Very high96.3Very high140 Ų14056.1 Ų56.161%0.60928%0.275SS*.  trans58.27.9-173.2-52.1-53.9-172.9-165.70115R47 D48 P49R47-K52 WeakPolarHBondContact CD-O 3.24Å; R47-K52 PolarHBondContact NH1-O 2.85Å; D48-K52 VanDerWaalsContact O-CA 3.23Å; D48-K52 WeakPolarHBondContact O-CA 3.47Å; D48-K52 PolarHBondContact O-N 2.82Å; P49-K52 WeakPolarHBondContact O-CE 3.34Å; P49-K52 PolarHBondContact O-NZ 3.04Å
53R92.9Very high96.3Very high174 Ų17454.7 Ų54.766%0.65727%0.272SS*.  trans-68.7140.3175.2-168.5-175.3-69.1-171.9-1.9109.6R47 D48 T51R47-R53 CarbonylContact C-O 3.45Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.38Å; D48-R53 PolarHBondContact N-O 2.84Å; T51-R53 PolarHBondContact O-N 3.04Å; T51-R53 PolarHBondContact OG1-N 2.91Å
54S95.2Very high96.2Very high5 Ų556.5 Ų56.54%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-57138171173.30000110.7F23 G56F23-S54 WeakPolarHBondContact CD1-O 3.49Å; F23-S54 WeakPolarHBondContact O-CB 3.37Å; S54-G56 PolarHBondContact OG-N 3.5Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
55R96Very high96.1Very high113 Ų11355.6 Ų55.643%0.42628%0.277SS..EExtended strand (participates in β ladder)trans-864.4173.1-62.6172.762-166.7-3.7111.9M46 F57M46-R55 VanDerWaalsContact O-CB 3.28Å; M46-R55 WeakPolarHBondContact O-CB 3.48Å; M46-R55 PolarHBondContact O-N 3.34Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.8Å; R55-F57 HydrophobicContact CB-CE1 3.58Å; R55-F57 HydrophobicContact CG-CE1 4.49Å; R55-F57 PolarHBondContact O-N 3.37Å
56G96.4Very high95.9Very high12 Ų1262.7 Ų62.712%0.12431%0.31CS..EExtended strand (participates in β ladder)trans75.417.2178.300000114.3G20 L21 S54G20-G56 PolarHBondContact N-O 2.93Å; L21-G56 PolarHBondContact N-O 3.19Å; S54-G56 PolarHBondContact OG-N 3.5Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
57F97.3Very high95.9Very high30 Ų3061.6 Ų61.613%0.13230%0.304CS..EExtended strand (participates in β ladder)trans-149.6162.2173.574.6-84.1000111.8F17 I18 M46 R55 F59F17-F57 HydrophobicContact CD2-CD2 4.11Å; F17-F57 HydrophobicContact CE2-CB 3.8Å; F17-F57 AromaticContact CE2-CD2 3.44Å; F17-F57 HydrophobicContact CE2-CD2 3.44Å; F17-F57 VanDerWaalsContact CE2-CD2 3.44Å; F17-F57 HydrophobicContact CE2-CE2 4.22Å; F17-F57 AromaticContact CE2-CG 3.85Å; F17-F57 HydrophobicContact CE2-CG 3.85Å; F17-F57 HydrophobicContact CZ-CB 3.88Å; F17-F57 HydrophobicContact CZ-CD2 4.33Å; F17-F57 HydrophobicContact CZ-CG 4.31Å; I18-F57 CarbonylContact O-C 3.59Å; I18-F57 WeakPolarHBondContact O-CA 3.38Å; I18-F57 WeakPolarHBondContact O-CB 3.11Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.07Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.71Å; M46-F57 HydrophobicContact CB-CG 4.42Å; M46-F57 HydrophobicContact CB-CZ 3.65Å; M46-F57 WeakPolarHBondContact CB-O 3.29Å; M46-F57 HydrophobicContact CG-CD2 3.82Å; M46-F57 HydrophobicContact CG-CE2 3.38Å; M46-F57 HydrophobicContact CG-CZ 3.8Å; M46-F57 PolarHBondContact N-O 2.86Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.8Å; R55-F57 HydrophobicContact CB-CE1 3.58Å; R55-F57 HydrophobicContact CG-CE1 4.49Å; R55-F57 PolarHBondContact O-N 3.37Å; F57-F59 HydrophobicContact CD2-CE2 4.27Å; F57-F59 AromaticContact CE2-CE2 3.99Å; F57-F59 HydrophobicContact CE2-CE2 3.99Å; F57-F59 HydrophobicContact CE2-CZ 4.5Å
58G97.6Very high95.9Very high0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-155.4-175.2179.700000112.5I18 V44I18-G58 PolarHBondContact N-O 2.83Å; I18-G58 PolarHBondContact O-N 3.13Å; V44-G58 CarbonylContact O-C 3.53Å; V44-G58 WeakPolarHBondContact O-CA 3.29Å
59F98.1Very high96Very high52 Ų5257.2 Ų57.223%0.22829%0.287CS..EExtended strand (participates in β ladder)trans-132.5144.4173.5-63.5-88.7000110.4K15 L16 F17 C43 V44 M46 F57 A89K15-F59 HydrophobicContact CD-CD1 4.35Å; K15-F59 HydrophobicContact CG-CB 4.46Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.48Å; F17-F59 HydrophobicContact CB-CD1 4.19Å; F17-F59 HydrophobicContact CB-CE1 3.89Å; F17-F59 AromaticContact CD2-CE1 3.85Å; F17-F59 HydrophobicContact CD2-CE1 3.85Å; F17-F59 AromaticContact CD2-CZ 3.88Å; F17-F59 HydrophobicContact CD2-CZ 3.88Å; F17-F59 HydrophobicContact CG-CE1 4.38Å; C43-F59 WeakPolarHBondContact CA-O 3.36Å; V44-F59 HydrophobicContact CG1-CB 4.16Å; V44-F59 HydrophobicContact CG1-CD2 4.5Å; V44-F59 PolarHBondContact N-O 3.27Å; V44-F59 PolarHBondContact O-N 3.45Å; M46-F59 HydrophobicContact CG-CD2 4.27Å; M46-F59 HydrophobicContact CG-CE2 4.2Å; M46-F59 HydrophobicContact SD-CD2 4.43Å; F57-F59 HydrophobicContact CD2-CE2 4.27Å; F57-F59 AromaticContact CE2-CE2 3.99Å; F57-F59 HydrophobicContact CE2-CE2 3.99Å; F57-F59 HydrophobicContact CE2-CZ 4.5Å; F59-A89 HydrophobicContact CD1-CB 4.43Å; F59-A89 HydrophobicContact CE1-CB 4.4Å
60V98.2Very high96.2Very high0 Ų055 Ų550%028%0.276CS..EExtended strand (participates in β ladder)trans-126.1138168.9-600000108.4K15 L16 I18 L30 F34 L40 Y62K15-V60 CarbonylContact C-O 3.58Å; K15-V60 WeakPolarHBondContact CA-O 3.03Å; L16-V60 HydrophobicContact CB-CG2 3.79Å; L16-V60 HydrophobicContact CD1-CG2 4.4Å; L16-V60 PolarHBondContact N-O 3.01Å; L16-V60 PolarHBondContact O-N 3.35Å; I18-V60 HydrophobicContact CD1-CG2 3.95Å; I18-V60 HydrophobicContact CG1-CG1 4.25Å; I18-V60 HydrophobicContact CG1-CG2 4.13Å; L30-V60 HydrophobicContact CD2-CG1 3.96Å; L30-V60 HydrophobicContact CG-CG1 3.94Å; F34-V60 HydrophobicContact CB-CG1 4.26Å; F34-V60 HydrophobicContact CD1-CG2 4.38Å; F34-V60 HydrophobicContact CD2-CG1 4.09Å; F34-V60 HydrophobicContact CG-CG1 4.25Å; F34-V60 HydrophobicContact CG-CG2 4.26Å; L40-V60 HydrophobicContact CD1-CB 4.24Å; L40-V60 HydrophobicContact CD1-CG1 4.22Å; L40-V60 HydrophobicContact CD2-CB 3.95Å; V60-Y62 HydrophobicContact CG2-CE2 4.11Å
61T97.8Very high96.3Very high1 Ų148 Ų481%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-122.9113.1179.4-51.30000109.3E11 R14 K15 L40 T41 D42E11-T61 HydrophobicContact CG-CG2 3.67Å; R14-T61 HydrophobicContact CB-CG2 4.35Å; R14-T61 CarbonylContact O-C 3.45Å; R14-T61 WeakPolarHBondContact O-CA 3.4Å; K15-T61 HydrophobicContact CB-CG2 4.42Å; L40-T61 CarbonylContact C-O 3.57Å; L40-T61 WeakPolarHBondContact CA-O 3.38Å; T41-T61 PolarHBondContact N-O 2.8Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.09Å; T41-T61 PolarHBondContact OG1-O 3.2Å; D42-T61 PolarHBondContact N-O 2.8Å; D42-T61 PolarHBondContact O-N 3.36Å
62Y98.2Very high96.4Very high0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-78.1169178.3-76.9-79.6000112.8R14 L16 F34 W37 T39 L40 T41 V60 E67 V68 A71R14-Y62 PolarHBondContact NH1-O 3.38Å; R14-Y62 PolarHBondContact O-N 2.87Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; F34-Y62 WeakPolarHBondContact CB-OH 3.46Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.18Å; F34-Y62 WeakPolarHBondContact O-CE1 3.34Å; F34-Y62 PolarHBondContact O-OH 3.15Å; W37-Y62 HydrophobicContact CB-CE1 4.5Å; T39-Y62 CarbonylContact O-C 3.58Å; T39-Y62 WeakPolarHBondContact O-CA 3.48Å; L40-Y62 HydrophobicContact CD2-CD1 3.58Å; L40-Y62 HydrophobicContact CD2-CD2 4.04Å; L40-Y62 HydrophobicContact CD2-CE1 3.51Å; L40-Y62 HydrophobicContact CD2-CE2 4Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.37Å; T41-Y62 PolarHBondContact OG1-O 3.02Å; V60-Y62 HydrophobicContact CG2-CE2 4.11Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.29Å; Y62-E67 HydrophobicContact CG-CB 3.8Å; Y62-V68 HydrophobicContact CD2-CG2 3.81Å; Y62-V68 HydrophobicContact CG-CG2 4.3Å; Y62-A71 HydrophobicContact CE2-CB 3.89Å; Y62-A71 WeakPolarHBondContact OH-CB 3.11Å
63A96.3Very high96.6Very high36 Ų3642.8 Ų42.830%0.29821%0.214SC..SBendtrans-77.9-30.9176.500000112R14 T39 T41 E67R14-A63 WeakPolarHBondContact CD-O 3.4Å; T39-A63 PolarHBondContact O-N 2.81Å; T41-A63 HydrophobicContact CG2-CB 4.14Å; A63-E67 WeakPolarHBondContact CA-OE2 3.38Å; A63-E67 WeakPolarHBondContact CB-OE2 3.19Å; A63-E67 PolarHBondContact N-OE2 3.12Å
64T95.5Very high96.9Very high49 Ų4936.1 Ų36.130%0.30120%0.196SC..SBendtrans-133.9162177.269.30000112.6E9 E66 E67E9-T64 WeakPolarHBondContact OE2-CA 3.33Å; T64-E66 VanDerWaalsContact C-N 3.3Å; T64-E67 PolarHBondContact N-OE2 3.32Å; T64-E67 WeakPolarHBondContact OG1-CG 3.28Å; T64-E67 PolarHBondContact OG1-N 3.18Å
65V94.8Very high96.9Very high24 Ų2438.7 Ų38.715%0.14521%0.205CC..Hα-helixtrans-68.2-30.7172.9174.20000111.3E9 L13 R14 E67 V68 D69E9-V65 HydrophobicContact CB-CG2 4.14Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.35Å; E9-V65 VanDerWaalsContact OE2-CG2 3.3Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.49Å; E9-V65 PolarHBondContact OE2-N 3.14Å; L13-V65 HydrophobicContact CB-CG2 3.65Å; R14-V65 HydrophobicContact CG-CG2 3.75Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.47Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.26Å; V65-V68 WeakPolarHBondContact O-CB 3.38Å; V65-V68 PolarHBondContact O-N 3.17Å; V65-V68 VanDerWaalsContact O-N 3.08Å; V65-D69 PolarHBondContact O-N 2.98Å
66E95.5Very high97Very high153 Ų15338.6 Ų38.672%0.71522%0.219SC*.Hα-helixtrans-60.6-39176.1-63.2179.3171.500112.2T64 V68 D69 A70T64-E66 VanDerWaalsContact C-N 3.3Å; E66-V68 VanDerWaalsContact C-N 3.33Å; E66-D69 PolarHBondContact O-N 3.5Å; E66-A70 PolarHBondContact O-N 3.38Å
67E97.3Very high97.1Very high35 Ų3538.2 Ų38.216%0.16421%0.214CC..Hα-helixtrans-67.5-34.3175-67.9172.6145.700111.8G38 T39 Y62 A63 T64 V65 A70 A71G38-E67 VanDerWaalsContact CA-OE1 3.24Å; G38-E67 WeakPolarHBondContact CA-OE1 3.39Å; T39-E67 PolarHBondContact N-OE1 3.49Å; Y62-E67 HydrophobicContact CD1-CB 3.55Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.29Å; Y62-E67 HydrophobicContact CG-CB 3.8Å; A63-E67 WeakPolarHBondContact CA-OE2 3.38Å; A63-E67 WeakPolarHBondContact CB-OE2 3.19Å; A63-E67 PolarHBondContact N-OE2 3.12Å; T64-E67 PolarHBondContact N-OE2 3.32Å; T64-E67 WeakPolarHBondContact OG1-CG 3.28Å; T64-E67 PolarHBondContact OG1-N 3.18Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.47Å; E67-A70 PolarHBondContact O-N 3.1Å; E67-A71 PolarHBondContact O-N 2.96Å
68V97Very high97.1Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-61.5-47.1170.4176.40000110.5R14 L16 Y62 V65 E66 A70 A71 M72R14-V68 VanDerWaalsContact C-CG2 3.5Å; R14-V68 HydrophobicContact CB-CG2 4.46Å; R14-V68 WeakPolarHBondContact O-CG2 3.38Å; L16-V68 HydrophobicContact CD1-CG1 4.22Å; L16-V68 HydrophobicContact CD2-CG1 3.53Å; L16-V68 HydrophobicContact CG-CG1 3.86Å; Y62-V68 HydrophobicContact CD2-CG2 3.81Å; Y62-V68 HydrophobicContact CG-CG2 4.3Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.26Å; V65-V68 WeakPolarHBondContact O-CB 3.38Å; V65-V68 PolarHBondContact O-N 3.17Å; V65-V68 VanDerWaalsContact O-N 3.08Å; E66-V68 VanDerWaalsContact C-N 3.33Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 2.89Å; V68-A71 PolarHBondContact O-N 2.92Å; V68-M72 HydrophobicContact CG1-CG 4.22Å; V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 WeakPolarHBondContact O-CG 3.21Å; V68-M72 PolarHBondContact O-N 3.16Å
69D96.1Very high97.1Very high48 Ų4843.2 Ų43.226%0.25724%0.236SC..Hα-helixtrans-63.5-40.5-180-67-10.3000110.9V65 E66 M72 N73 R88V65-D69 PolarHBondContact O-N 2.98Å; E66-D69 PolarHBondContact O-N 3.5Å; D69-M72 PolarHBondContact O-N 2.88Å; D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 2.68Å; D69-N73 PolarHBondContact O-ND2 3.07Å; D69-N73 VanDerWaalsContact O-ND2 3.11Å; D69-R88 IonicContact OD1-CZ 2.68Å; D69-R88 VanDerWaalsContact OD1-CZ 3.24Å; D69-R88 IonicContact OD1-NH1 3.75Å; D69-R88 PolarHBondContact OD1-NH1 3.15Å; D69-R88 IonicContact OD1-NH2 2.94Å; D69-R88 PolarHBondContact OD1-NH2 2.71Å
70A97.3Very high97Very high41 Ų4144.3 Ų44.334%0.33924%0.244SC..Hα-helixtrans-60-45.9174.600000112W37 E66 E67 V68 N73 A74W37-A70 HydrophobicContact CB-CB 4.35Å; E66-A70 PolarHBondContact O-N 3.38Å; E67-A70 PolarHBondContact O-N 3.1Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 2.89Å; A70-N73 PolarHBondContact O-N 2.95Å; A70-A74 PolarHBondContact O-N 3.39Å
71A98Very high96.9Very high0 Ų047.1 Ų47.10%027%0.273CS..Hα-helixtrans-62.4-48.4174.200000110.9L16 W37 Y62 E67 V68 N73 A74 H77L16-A71 HydrophobicContact CD1-CB 4.14Å; W37-A71 HydrophobicContact CB-CB 4.01Å; W37-A71 HydrophobicContact CD2-CB 4.44Å; W37-A71 HydrophobicContact CG-CB 4.21Å; Y62-A71 HydrophobicContact CE2-CB 3.89Å; Y62-A71 WeakPolarHBondContact OH-CB 3.11Å; E67-A71 PolarHBondContact O-N 2.96Å; V68-A71 PolarHBondContact O-N 2.92Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.78Å; A71-A74 PolarHBondContact O-N 3.36Å; A71-H77 PolarHBondContact O-CE1 3.47Å; A71-H77 PolarHBondContact O-NE2 2.9Å
72M97.3Very high96.8Very high1 Ų153.8 Ų53.81%0.00530%0.298CS..Hα-helixtrans-61.9-33.9179.6-70.9-59.1-7200112.8L16 V68 D69 A74 R75 P86 D157L16-M72 HydrophobicContact CD1-CG 4.32Å; L16-M72 HydrophobicContact CD1-SD 4.08Å; L16-M72 HydrophobicContact CD2-CG 3.97Å; L16-M72 HydrophobicContact CD2-SD 3.67Å; V68-M72 HydrophobicContact CG1-CG 4.22Å; V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 WeakPolarHBondContact O-CG 3.21Å; V68-M72 PolarHBondContact O-N 3.16Å; D69-M72 PolarHBondContact O-N 2.88Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 3.15Å; M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 3.07Å; M72-R75 PolarHBondContact O-NH2 3.23Å; M72-P86 HydrophobicContact SD-CB 3.98Å; M72-P86 HydrophobicContact SD-CG 4.33Å; M72-D157 HydrophobicContact CE-CB 3.76Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.39Å
73N96.4Very high96.8Very high124 Ų12458.5 Ų58.566%0.66333%0.327SS*.Hα-helixtrans-73.8-19.3176.5-70.2-27.9000113.2D69 A70 A71 R75D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 2.68Å; D69-N73 PolarHBondContact O-ND2 3.07Å; D69-N73 VanDerWaalsContact O-ND2 3.11Å; A70-N73 PolarHBondContact O-N 2.95Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.78Å; N73-R75 VanDerWaalsContact C-N 3.31Å
74A97.5Very high96.9Very high34 Ų3457.1 Ų57.128%0.28132%0.315SS..THydrogen-bonded Turntrans-88.16.9178.800000114.1W37 A70 A71 M72W37-A74 HydrophobicContact CD2-CB 4.42Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.78Å; A70-A74 PolarHBondContact O-N 3.39Å; A71-A74 PolarHBondContact O-N 3.36Å; M72-A74 VanDerWaalsContact C-N 3.28Å; M72-A74 PolarHBondContact O-N 3.15Å
75R96.9Very high96.9Very high60 Ų6058.3 Ų58.323%0.22632%0.317CS..PPolyproline II helixtrans-58.5144.5172-81.7176.4-73.3150.414.7110.9M72 N73 P86 D155 H156M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 3.07Å; M72-R75 PolarHBondContact O-NH2 3.23Å; N73-R75 VanDerWaalsContact C-N 3.31Å; R75-P86 HydrophobicContact CG-CG 3.58Å; R75-D155 IonicContact CZ-OD1 2.97Å; R75-D155 IonicContact CZ-OD2 2.79Å; R75-D155 IonicContact NH1-OD1 2.63Å; R75-D155 PolarHBondContact NH1-OD1 2.84Å; R75-D155 IonicContact NH1-OD2 3.07Å; R75-D155 PolarHBondContact NH1-OD2 3.5Å; R75-D155 VanDerWaalsContact NH1-OD2 3.16Å; R75-D155 IonicContact NH2-OD1 3.94Å; R75-D155 IonicContact NH2-OD2 2.82Å; R75-D155 PolarHBondContact NH2-OD2 2.93Å; R75-H156 PolarHBondContact NH1-CD2 3.29Å; R75-H156 PolarHBondContact NH1-CE1 2.82Å; R75-H156 PolarHBondContact NH1-NE2 3.06Å
76P96.9Very high97Very high110 Ų11057.2 Ų57.271%0.71431%0.31SS*.SBendcis-81.8142.82.732.2-34.6000113.4V83P76-V83 HydrophobicContact CB-CG1 4.38Å
77H98.1Very high97.1Very high4 Ų451.1 Ų51.12%0.01928%0.282CS..EExtended strand (participates in β ladder)trans-95.4144.6174.3-66.4-96.4000111.6H33 F34 W37 A71 V83 V84H33-H77 AromaticContact NE2-CG 3.87Å; H33-H77 AromaticContact NE2-ND1 3.38Å; H33-H77 PolarHBondContact NE2-ND1 3.39Å; F34-H77 AromaticContact CE1-ND1 3.93Å; F34-H77 HydrophobicContact CZ-CB 4.43Å; W37-H77 AromaticContact CD2-CE1 3.98Å; W37-H77 AromaticContact CE2-CE1 3.81Å; W37-H77 AromaticContact CE3-CE1 3.74Å; W37-H77 AromaticContact CH2-CE1 3.31Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.33Å; W37-H77 AromaticContact CH2-ND1 3.07Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.2Å; W37-H77 AromaticContact CZ2-CE1 3.48Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.48Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.24Å; W37-H77 AromaticContact CZ2-ND1 3.65Å; W37-H77 AromaticContact CZ3-CE1 3.41Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.41Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.44Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.37Å; A71-H77 PolarHBondContact O-CE1 3.47Å; A71-H77 PolarHBondContact O-NE2 2.9Å; H77-V83 WeakPolarHBondContact O-CA 2.89Å; H77-V84 HydrophobicContact CB-CG2 3.6Å; H77-V84 PolarHBondContact O-N 3.32Å
78K97.7Very high97Very high133 Ų13350.1 Ų50.158%0.57828%0.276SS*.EExtended strand (participates in β ladder)trans-123.6113.9173-172.6178-179.5-179.50109.8H33 G81 R82H33-K78 PolarHBondContact CE1-O 2.81Å; H33-K78 PolarHBondContact ND1-O 2.68Å; K78-G81 VanDerWaalsContact CE-C 3.42Å; K78-G81 WeakPolarHBondContact CE-O 3.47Å; K78-R82 CarbonylContact C-O 3.55Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.5Å
79V97.4Very high96.9Very high2 Ų250.2 Ų50.21%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-115.7129.1-179.9-174.10000108.3T25 L30 H33 F34 G81 R82 V84T25-V79 HydrophobicContact CG2-CG1 4.1Å; L30-V79 HydrophobicContact CD1-CG1 4.42Å; H33-V79 HydrophobicContact CB-CG1 4.47Å; H33-V79 HydrophobicContact CB-CG2 4.2Å; H33-V79 VanDerWaalsContact CD2-CG2 3.47Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.36Å; F34-V79 HydrophobicContact CE2-CG2 4.06Å; V79-G81 PolarHBondContact O-N 3.41Å; V79-G81 VanDerWaalsContact O-N 3.14Å; V79-R82 PolarHBondContact N-O 3.25Å; V79-R82 PolarHBondContact O-N 2.69Å; V79-V84 HydrophobicContact CB-CG1 3.96Å; V79-V84 HydrophobicContact CG2-CG1 3.98Å; V79-V84 HydrophobicContact CG2-CG2 3.87Å
80D96.7Very high96.7Very high76 Ų7649.8 Ų49.841%0.40628%0.276SS..THydrogen-bonded Turntrans48.143.9-179.8-54.8-40000113.2T25 S29 R82T25-D80 WeakPolarHBondContact CA-OD2 3.29Å; T25-D80 VanDerWaalsContact CB-OD2 3.22Å; T25-D80 WeakPolarHBondContact CB-OD2 3.26Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.17Å; T25-D80 PolarHBondContact OG1-OD2 3.26Å; S29-D80 WeakPolarHBondContact CB-OD1 3.35Å; S29-D80 WeakPolarHBondContact CB-OD2 3.25Å; S29-D80 PolarHBondContact OG-OD2 3.33Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 3.07Å
81G95.5Very high96.3Very high59 Ų5948.6 Ų48.661%0.60827%0.265SS*.THydrogen-bonded Turntrans81.4-8.2179.200000115.5K78 V79K78-G81 VanDerWaalsContact CE-C 3.42Å; K78-G81 WeakPolarHBondContact CE-O 3.47Å; V79-G81 PolarHBondContact O-N 3.41Å; V79-G81 VanDerWaalsContact O-N 3.14Å
82R97Very high95.7Very high140 Ų14059 Ų5953%0.52830%0.304SS..EExtended strand (participates in β ladder)trans-110.3136.3-175.3-169.6167.8178.599.32.8112.1G20 K78 V79 D80 V84G20-R82 WeakPolarHBondContact O-CD 3.32Å; G20-R82 WeakPolarHBondContact O-CG 3.5Å; G20-R82 PolarHBondContact O-NE 2.91Å; K78-R82 CarbonylContact C-O 3.55Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.5Å; V79-R82 PolarHBondContact N-O 3.25Å; V79-R82 PolarHBondContact O-N 2.69Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 3.07Å; R82-V84 PolarHBondContact O-N 3.13Å
83V97.5Very high95.3Very high100 Ų10065.7 Ų65.761%0.60634%0.336SS*.EExtended strand (participates in β ladder)trans-72.1125.1172.5-179.90000108.7P76 H77P76-V83 HydrophobicContact CB-CG1 4.38Å; H77-V83 WeakPolarHBondContact O-CA 2.89Å
84V97.8Very high94.8Very high7 Ų761.7 Ų61.74%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-108.8157.4-176.7-56.10000110.6I18 G19 L21 F34 H77 V79 R82 P86I18-V84 HydrophobicContact CG2-CB 3.89Å; I18-V84 HydrophobicContact CG2-CG1 4.47Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; G19-V84 WeakPolarHBondContact O-CA 3.31Å; G19-V84 WeakPolarHBondContact O-CB 3.4Å; L21-V84 HydrophobicContact CD2-CB 4.38Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å; F34-V84 HydrophobicContact CZ-CG2 4.31Å; H77-V84 HydrophobicContact CB-CG2 3.6Å; H77-V84 PolarHBondContact O-N 3.32Å; V79-V84 HydrophobicContact CB-CG1 3.96Å; V79-V84 HydrophobicContact CG2-CG1 3.98Å; V79-V84 HydrophobicContact CG2-CG2 3.87Å; R82-V84 PolarHBondContact O-N 3.13Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.24Å
85E96.2Very high94.3Very high73 Ų7361.6 Ų61.634%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-113.190.3-178.3-164.7-171.3-171.400109.7G19 K87 T103G19-E85 PolarHBondContact N-O 3.43Å; G19-E85 PolarHBondContact O-N 2.79Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.68Å; E85-K87 PolarHBondContact OE1-NZ 2.85Å; E85-K87 VanDerWaalsContact OE2-CE 3.32Å; E85-K87 WeakPolarHBondContact OE2-CE 3.16Å; E85-K87 IonicContact OE2-NZ 2.79Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; E85-T103 PolarHBondContact OE1-OG1 3.05Å; E85-T103 VanDerWaalsContact OE1-OG1 3.07Å
86P97.5Very high93.8Very high2 Ų266.5 Ų66.51%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-74.3137.4172.828.2-28.6000110.8F17 I18 M72 R75 V84F17-P86 CarbonylContact O-C 3.52Å; F17-P86 WeakPolarHBondContact O-CA 3.43Å; I18-P86 HydrophobicContact CD1-CB 3.7Å; M72-P86 HydrophobicContact SD-CB 3.98Å; M72-P86 HydrophobicContact SD-CG 4.33Å; R75-P86 HydrophobicContact CG-CG 3.58Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.24Å
87K96.5Very high93.2Very high25 Ų2565.1 Ų65.111%0.10932%0.318CS..EExtended strand (participates in β ladder)trans-140.4154.9175.1-62.7179.9-170.5166.40109.4L16 F17 E85 A89 T103L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.32Å; L16-K87 WeakPolarHBondContact CA-O 3.22Å; L16-K87 WeakPolarHBondContact CD2-O 3.41Å; F17-K87 HydrophobicContact CD1-CB 4.42Å; F17-K87 PolarHBondContact N-O 3.06Å; F17-K87 PolarHBondContact O-N 2.83Å; E85-K87 WeakPolarHBondContact OE1-CE 3.46Å; E85-K87 IonicContact OE1-NZ 2.68Å; E85-K87 PolarHBondContact OE1-NZ 2.85Å; E85-K87 VanDerWaalsContact OE2-CE 3.32Å; E85-K87 WeakPolarHBondContact OE2-CE 3.16Å; E85-K87 IonicContact OE2-NZ 2.79Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; K87-A89 PolarHBondContact O-N 3.31Å; K87-T103 WeakPolarHBondContact CE-OG1 3.44Å; K87-T103 PolarHBondContact NZ-OG1 3.43Å
88R95.2Very high92.6Very high13 Ų1367.5 Ų67.55%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-61.6135.8170-55.4-160.3-179.4-117.3-6.6109.9L16 D69 V90 D157 D160 I164L16-R88 HydrophobicContact CD2-CG 4.25Å; D69-R88 IonicContact OD1-CZ 2.68Å; D69-R88 VanDerWaalsContact OD1-CZ 3.24Å; D69-R88 IonicContact OD1-NH1 3.75Å; D69-R88 PolarHBondContact OD1-NH1 3.15Å; D69-R88 IonicContact OD1-NH2 2.94Å; D69-R88 PolarHBondContact OD1-NH2 2.71Å; R88-V90 PolarHBondContact O-N 3.32Å; R88-D157 IonicContact CZ-OD1 2.98Å; R88-D157 IonicContact CZ-OD2 3.86Å; R88-D157 IonicContact NE-OD1 2.97Å; R88-D157 PolarHBondContact NE-OD1 2.98Å; R88-D157 IonicContact NE-OD2 3.86Å; R88-D157 IonicContact NH2-OD1 3.87Å; R88-D157 PolarHBondContact NH2-OD1 3.23Å; R88-D157 IonicContact NH2-OD2 2.92Å; R88-D157 PolarHBondContact NH2-OD2 3.05Å; R88-D160 HydrophobicContact CB-CB 4.1Å; R88-D160 HydrophobicContact CG-CB 4.09Å; R88-I164 HydrophobicContact CB-CD1 4.23Å
89A94.8Very high92Very high3 Ų362.2 Ų62.23%0.02532%0.317CS..PPolyproline II helixtrans-62.2139.217700000108.8Q12 K15 F59 K87Q12-A89 PolarHBondContact NE2-O 3.39Å; K15-A89 HydrophobicContact CB-CB 3.86Å; K15-A89 HydrophobicContact CD-CB 4.23Å; K15-A89 HydrophobicContact CG-CB 3.81Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 3.21Å; K15-A89 PolarHBondContact O-N 3Å; F59-A89 HydrophobicContact CD1-CB 4.43Å; F59-A89 HydrophobicContact CE1-CB 4.4Å; K87-A89 PolarHBondContact O-N 3.31Å
90V91.9Very high91.6Very high39 Ų3962.8 Ų62.824%0.23632%0.322CS..PPolyproline II helixtrans-92.8139.5170.5-1770000107.7Q12 R88 D94 A100Q12-V90 PolarHBondContact NE2-O 2.77Å; R88-V90 PolarHBondContact O-N 3.32Å; V90-D94 HydrophobicContact CG1-CB 3.72Å; V90-A100 HydrophobicContact CG1-CB 4.1Å
91S88.4Confident91.2Very high16 Ų1664.5 Ų64.511%0.11233%0.327CS..PPolyproline II helixtrans-59.4157.1174.971.80000110.5E93 D94 S95S91-E93 PolarHBondContact O-N 3.35Å; S91-D94 PolarHBondContact O-N 2.65Å; S91-D94 WeakPolarHBondContact OG-CB 3.5Å; S91-D94 PolarHBondContact OG-N 2.88Å; S91-D94 PolarHBondContact OG-OD2 3.38Å; S91-S95 WeakPolarHBondContact O-CB 3.47Å; S91-S95 PolarHBondContact O-N 3.41Å; S91-S95 PolarHBondContact O-OG 2.89Å
92R87.3Confident91Very high217 Ų21764.5 Ų64.582%0.81931%0.313SS*.THydrogen-bonded Turntrans-62.6-35.6179.3-70.8-179177.4-122.12.1111.3
93E86.9Confident90.9Very high142 Ų14260.8 Ų60.866%0.66431%0.306SS*.THydrogen-bonded Turntrans-67.2-45.5178.5-61.970.2-152.900111S91 Q96S91-E93 PolarHBondContact O-N 3.35Å; E93-Q96 PolarHBondContact O-N 3.44Å
94D86.6Confident90.7Very high40 Ų4057.2 Ų57.221%0.21428%0.284CS..G310 helixtrans-79-22.8-179-63.6-44.1000112.9V90 S91 Q96 R97 A100V90-D94 HydrophobicContact CG1-CB 3.72Å; S91-D94 PolarHBondContact O-N 2.65Å; S91-D94 WeakPolarHBondContact OG-CB 3.5Å; S91-D94 PolarHBondContact OG-N 2.88Å; S91-D94 PolarHBondContact OG-OD2 3.38Å; D94-Q96 PolarHBondContact O-N 2.99Å; D94-Q96 VanDerWaalsContact O-N 3.12Å; D94-R97 VanDerWaalsContact O-CB 3.29Å; D94-R97 WeakPolarHBondContact O-CB 3.48Å; D94-R97 WeakPolarHBondContact O-CG 3.44Å; D94-R97 PolarHBondContact O-N 2.8Å; D94-R97 IonicContact OD1-CZ 2.81Å; D94-R97 IonicContact OD1-NE 3.71Å; D94-R97 PolarHBondContact OD1-NE 3.1Å; D94-R97 VanDerWaalsContact OD1-NE 3.07Å; D94-R97 IonicContact OD1-NH1 3.04Å; D94-R97 IonicContact OD1-NH2 3.76Å; D94-R97 PolarHBondContact OD1-NH2 3Å; D94-A100 WeakPolarHBondContact O-CB 3.5Å
95S88.4Confident90.7Very high33 Ų3361.7 Ų61.723%0.23130%0.303CS..G310 helixtrans-59.2-23173.9-63.40000112.5S91 R97 H101S91-S95 WeakPolarHBondContact O-CB 3.47Å; S91-S95 PolarHBondContact O-N 3.41Å; S91-S95 PolarHBondContact O-OG 2.89Å; S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 3.48Å; S95-H101 WeakPolarHBondContact CB-NE2 3.28Å; S95-H101 PolarHBondContact OG-CE1 3.01Å; S95-H101 PolarHBondContact OG-NE2 2.94Å
96Q85.7Confident90.8Very high163 Ų16361.2 Ų61.276%0.76230%0.3SS*.G310 helixtrans-76.8-13.1174.9-59.7-57.2-45.700113.3E93 D94E93-Q96 PolarHBondContact O-N 3.44Å; D94-Q96 PolarHBondContact O-N 2.99Å; D94-Q96 VanDerWaalsContact O-N 3.12Å
97R84.3Confident90.8Very high81 Ų8161.1 Ų61.131%0.30630%0.299SS..SBendtrans-73.3138.7179.6-63.2-175.1-171.5176.811.7109.9D94 S95 G99 A100D94-R97 VanDerWaalsContact O-CB 3.29Å; D94-R97 WeakPolarHBondContact O-CB 3.48Å; D94-R97 WeakPolarHBondContact O-CG 3.44Å; D94-R97 PolarHBondContact O-N 2.8Å; D94-R97 IonicContact OD1-CZ 2.81Å; D94-R97 IonicContact OD1-NE 3.71Å; D94-R97 PolarHBondContact OD1-NE 3.1Å; D94-R97 VanDerWaalsContact OD1-NE 3.07Å; D94-R97 IonicContact OD1-NH1 3.04Å; D94-R97 IonicContact OD1-NH2 3.76Å; D94-R97 PolarHBondContact OD1-NH2 3Å; S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 3.48Å; R97-G99 PolarHBondContact O-N 3.11Å; R97-G99 VanDerWaalsContact O-N 3.12Å; R97-A100 HydrophobicContact CB-CB 4.37Å; R97-A100 WeakPolarHBondContact O-CB 3.29Å; R97-A100 PolarHBondContact O-N 3.2Å; R97-A100 VanDerWaalsContact O-N 3.1Å
98P84.9Confident90.8Very high54 Ų5462.9 Ų62.935%0.35131%0.307SS..THydrogen-bonded Turntrans-53.8123.2173.2-25.634.1000110.8L181 A189P98-L181 HydrophobicContact CB-CD1 4.46Å; P98-A189 HydrophobicContact CB-CB 3.54Å; P98-A189 HydrophobicContact CG-CB 3.85Å
99G85.9Confident90.9Very high21 Ų2162.3 Ų62.322%0.21631%0.305CS..THydrogen-bonded Turntrans77.912.9177.100000116.5R97 H101 L102R97-G99 PolarHBondContact O-N 3.11Å; R97-G99 VanDerWaalsContact O-N 3.12Å; G99-H101 VanDerWaalsContact C-N 3.25Å; G99-H101 PolarHBondContact O-N 3.19Å; G99-L102 WeakPolarHBondContact O-CB 3.36Å; G99-L102 PolarHBondContact O-N 2.92Å; G99-L102 VanDerWaalsContact O-N 3.07Å
100A88.6Confident90.9Very high15 Ų1562.5 Ų62.512%0.12431%0.307CS..THydrogen-bonded Turntrans-56.4-38.1-178.400000113.6V90 D94 R97 K179V90-A100 HydrophobicContact CG1-CB 4.1Å; D94-A100 WeakPolarHBondContact O-CB 3.5Å; R97-A100 HydrophobicContact CB-CB 4.37Å; R97-A100 WeakPolarHBondContact O-CB 3.29Å; R97-A100 PolarHBondContact O-N 3.2Å; R97-A100 VanDerWaalsContact O-N 3.1Å; A100-K179 PolarHBondContact O-NZ 2.75Å
101H89.2Confident91Very high111 Ų11162.9 Ų62.951%0.51432%0.319SS..THydrogen-bonded Turntrans-91.52.1179.8-58.8-69.7000114.4S95 G99 T103S95-H101 WeakPolarHBondContact CB-NE2 3.28Å; S95-H101 PolarHBondContact OG-CE1 3.01Å; S95-H101 PolarHBondContact OG-NE2 2.94Å; G99-H101 VanDerWaalsContact C-N 3.25Å; G99-H101 PolarHBondContact O-N 3.19Å; H101-T103 PolarHBondContact O-N 2.85Å
102L91.4Very high91.3Very high59 Ų5962.5 Ų62.531%0.30932%0.316SS..  trans-67.3136.3178.8-66.4171.5000110.3G99 V104 K179 L181 E185G99-L102 WeakPolarHBondContact O-CB 3.36Å; G99-L102 PolarHBondContact O-N 2.92Å; G99-L102 VanDerWaalsContact O-N 3.07Å; L102-V104 HydrophobicContact CB-CG1 3.96Å; L102-V104 PolarHBondContact O-N 2.84Å; L102-K179 PolarHBondContact O-NZ 2.9Å; L102-L181 HydrophobicContact CD1-CD2 3.64Å; L102-E185 VanDerWaalsContact CD1-OE1 3.29Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.29Å
103T93Very high91.6Very high63 Ų6358 Ų5839%0.38730%0.302SS..  trans-80.199.2168.7-47.70000107.9E85 K87 H101 H156E85-T103 PolarHBondContact OE1-OG1 3.05Å; E85-T103 VanDerWaalsContact OE1-OG1 3.07Å; K87-T103 WeakPolarHBondContact CE-OG1 3.44Å; K87-T103 PolarHBondContact NZ-OG1 3.43Å; H101-T103 PolarHBondContact O-N 2.85Å; T103-H156 HydrophobicContact CG2-CB 3.67Å
104V95.2Very high91.8Very high24 Ų2457 Ų5715%0.14530%0.298CS..  trans-124.6146.2176.3-57.80000109.8L102 K106 H156 V159 K179L102-V104 HydrophobicContact CB-CG1 3.96Å; L102-V104 PolarHBondContact O-N 2.84Å; V104-K106 WeakPolarHBondContact CG2-O 3.32Å; V104-H156 WeakPolarHBondContact O-CB 3.38Å; V104-V159 HydrophobicContact CG2-CG1 3.98Å; V104-V159 WeakPolarHBondContact O-CB 3.15Å; V104-V159 WeakPolarHBondContact O-CG2 3.25Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 3.95Å; V104-K179 HydrophobicContact CG2-CG 3.78Å
105K96.8Very high92.1Very high102 Ų10258.9 Ų58.944%0.44331%0.308SS..SBendtrans-984.3173.7-59-174177.8-168.50112.8T152 F153 D154 H156 V159K105-T152 CarbonylContact O-C 3.51Å; K105-T152 WeakPolarHBondContact O-CA 3.47Å; K105-F153 WeakPolarHBondContact CB-O 3.22Å; K105-F153 PolarHBondContact O-N 3.21Å; K105-D154 WeakPolarHBondContact CD-O 3.39Å; K105-D154 WeakPolarHBondContact CE-O 3.5Å; K105-D154 PolarHBondContact NZ-O 2.91Å; K105-H156 HydrophobicContact CG-CB 4.5Å; K105-V159 VanDerWaalsContact C-CG2 3.42Å
106K97.5Very high92.4Very high63 Ų6357.3 Ų57.327%0.27430%0.297SS..EExtended strand (participates in β ladder)trans-121.2131.2-173.8-168.5170.8-171.5161.50110.9V104 E135 F150 V151 A180V104-K106 WeakPolarHBondContact CG2-O 3.32Å; K106-E135 IonicContact NZ-OE2 2.64Å; K106-E135 PolarHBondContact NZ-OE2 3.4Å; K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.38Å; K106-F150 HydrophobicContact CG-CB 4.25Å; K106-F150 HydrophobicContact CG-CD1 4.31Å; K106-V151 CarbonylContact C-O 3.56Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; K106-A180 HydrophobicContact CB-CB 3.93Å; K106-A180 HydrophobicContact CD-CB 4.28Å; K106-A180 HydrophobicContact CG-CB 3.74Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 2.99Å; K106-A180 PolarHBondContact O-N 2.67Å
107I97.7Very high92.8Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-105.3148.6171.157172.3000111.1V109 F125 F150 V151 F153 V159 I162 V163 V177 R178I107-V109 HydrophobicContact CD1-CG2 3.79Å; I107-V109 HydrophobicContact CG1-CG2 4.08Å; I107-F125 HydrophobicContact CD1-CD1 3.94Å; I107-F125 HydrophobicContact CD1-CD2 4.48Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.34Å; I107-F125 HydrophobicContact CD1-CG 4.31Å; I107-F125 HydrophobicContact CD1-CZ 3.99Å; I107-F150 VanDerWaalsContact O-CA 3.24Å; I107-F150 WeakPolarHBondContact O-CA 3.4Å; I107-F150 WeakPolarHBondContact O-CD1 3.3Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.35Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.38Å; I107-V151 WeakPolarHBondContact CG1-O 3.18Å; I107-V151 PolarHBondContact N-O 3.07Å; I107-V151 PolarHBondContact O-N 2.79Å; I107-V151 VanDerWaalsContact O-N 3.13Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.35Å; I107-F153 HydrophobicContact CG1-CE2 3.98Å; I107-V159 HydrophobicContact CG2-CB 4.09Å; I107-V159 HydrophobicContact CG2-CG1 3.54Å; I107-V159 HydrophobicContact CG2-CG2 3.94Å; I107-I162 HydrophobicContact CD1-CD1 4.06Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; I107-V163 HydrophobicContact CG2-CG1 4.22Å; I107-V177 HydrophobicContact CB-CG1 3.92Å; I107-V177 HydrophobicContact CD1-CG1 3.85Å; I107-V177 HydrophobicContact CG1-CG1 4.42Å; I107-V177 HydrophobicContact CG2-CG1 4.13Å; I107-R178 CarbonylContact C-O 3.47Å; I107-R178 WeakPolarHBondContact CA-O 3.39Å
108F96.7Very high93.4Very high62 Ų6254.9 Ų54.927%0.27229%0.289SS..EExtended strand (participates in β ladder)trans-94.4130.7162.8168.9-90.9000108.4F148 F150 V177 R178F108-F148 HydrophobicContact CD2-CB 4.47Å; F108-F148 AromaticContact CD2-CD2 3.96Å; F108-F148 HydrophobicContact CD2-CD2 3.96Å; F108-F148 HydrophobicContact CE2-CB 3.6Å; F108-F148 AromaticContact CE2-CD2 3.41Å; F108-F148 HydrophobicContact CE2-CD2 3.41Å; F108-F148 VanDerWaalsContact CE2-CD2 3.41Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.66Å; F108-F148 HydrophobicContact CE2-CG 3.66Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.39Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; F108-F150 HydrophobicContact CB-CD1 4.21Å; F108-F150 HydrophobicContact CB-CE1 3.95Å; F108-F150 AromaticContact CD2-CE1 3.84Å; F108-F150 HydrophobicContact CD2-CE1 3.84Å; F108-F150 AromaticContact CD2-CZ 4Å; F108-F150 HydrophobicContact CD2-CZ 4Å; F108-F150 HydrophobicContact CG-CE1 4.41Å; F108-V177 WeakPolarHBondContact O-CA 3.38Å; F108-R178 PolarHBondContact N-O 3.33Å; F108-R178 PolarHBondContact O-N 3.36Å
109V97.1Very high94Very high0 Ų056.3 Ų56.30%029%0.291CS..EExtended strand (participates in β ladder)trans-119.2102.6177.3-173.20000107.8I107 I112 L121 F125 F148 A149 V151 C175 V177I107-V109 HydrophobicContact CD1-CG2 3.79Å; I107-V109 HydrophobicContact CG1-CG2 4.08Å; V109-I112 HydrophobicContact CG1-CG2 3.83Å; V109-L121 HydrophobicContact CG1-CD2 4.13Å; V109-F125 HydrophobicContact CG1-CE2 4.15Å; V109-F125 HydrophobicContact CG1-CZ 4.15Å; V109-F125 HydrophobicContact CG2-CE2 3.7Å; V109-F125 HydrophobicContact CG2-CZ 3.75Å; V109-F148 CarbonylContact O-C 3.52Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.42Å; V109-A149 PolarHBondContact N-O 3.45Å; V109-A149 PolarHBondContact O-N 2.95Å; V109-V151 HydrophobicContact CG2-CG2 4.22Å; V109-C175 HydrophobicContact CG1-CB 4Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.32Å
110G96.5Very high94.5Very high7 Ų757.4 Ų57.47%0.07229%0.29CS..EExtended strand (participates in β ladder)trans-103.8156-178.200000113C175 E176G110-C175 CarbonylContact O-C 3.47Å; G110-C175 WeakPolarHBondContact O-CA 3.34Å; G110-C175 WeakPolarHBondContact O-CB 3.16Å; G110-E176 PolarHBondContact N-O 3.34Å; G110-E176 PolarHBondContact O-N 3.19Å
111G94Very high94.9Very high48 Ų4856.7 Ų56.750%0.49528%0.284SS..SBendtrans8313.4177.600000114.1G147G111-G147 PolarHBondContact N-O 2.63Å
112I94.4Very high95.3Very high7 Ų755 Ų554%0.03627%0.273CS..  trans-73.1146.4170.462.2173.6000109.9V109 T116 L121 I136 G147 A149 C175V109-I112 HydrophobicContact CG1-CG2 3.83Å; I112-T116 HydrophobicContact CB-CG2 4.02Å; I112-T116 HydrophobicContact CD1-CG2 4.35Å; I112-T116 HydrophobicContact CG2-CG2 4.21Å; I112-L121 HydrophobicContact CG2-CD2 4.46Å; I112-I136 HydrophobicContact CD1-CG2 4.42Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.97Å; I112-G147 WeakPolarHBondContact O-CA 3.17Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; I112-C175 HydrophobicContact CG2-CB 4.02Å
113K92.3Very high95.6Very high122 Ų12257.5 Ų57.553%0.5329%0.287SS..  trans-88.6168.6-179.4-69.9-65.7-172.9172.70111.1D115 T116 H173K113-D115 WeakPolarHBondContact CB-OD1 3.17Å; K113-D115 PolarHBondContact O-N 2.89Å; K113-T116 PolarHBondContact N-OG1 3.48Å; K113-T116 VanDerWaalsContact O-CB 3.3Å; K113-T116 WeakPolarHBondContact O-CB 3.27Å; K113-T116 PolarHBondContact O-N 3.18Å; K113-T116 PolarHBondContact O-OG1 2.94Å; K113-H173 HydrophobicContact CG-CB 4.37Å; K113-H173 WeakPolarHBondContact CG-ND1 3.42Å
114E91.3Very high95.8Very high122 Ų12256.8 Ų56.857%0.5728%0.278SS*.THydrogen-bonded Turntrans-65.5-21.2-178.2-65.4-171.7163.600113.3T116 K145E114-T116 VanDerWaalsContact C-N 3.28Å; E114-K145 HydrophobicContact CG-CB 4.45Å; E114-K145 VanDerWaalsContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CD 3.43Å; E114-K145 WeakPolarHBondContact O-CE 3.09Å; E114-K145 PolarHBondContact O-NZ 3.46Å
115D93.4Very high95.9Very high80 Ų8055.7 Ų55.743%0.42827%0.271SS..THydrogen-bonded Turntrans-75.5-12.7172.864.9-13.8000113.3K113 E117 N171 H173K113-D115 WeakPolarHBondContact CB-OD1 3.17Å; K113-D115 PolarHBondContact O-N 2.89Å; D115-E117 PolarHBondContact O-N 3.43Å; D115-N171 PolarHBondContact OD1-ND2 3.02Å; D115-N171 PolarHBondContact OD2-ND2 3.48Å; D115-H173 IonicContact OD1-CD2 3.96Å; D115-H173 IonicContact OD1-NE2 2.97Å; D115-H173 PolarHBondContact OD1-NE2 3.11Å; D115-H173 IonicContact OD2-CD2 3.88Å; D115-H173 IonicContact OD2-CE1 3.33Å; D115-H173 IonicContact OD2-NE2 3.4Å; D115-H173 PolarHBondContact OD2-NE2 3.49Å
116T94.5Very high95.9Very high0 Ų055.8 Ų55.80%027%0.273CS..  trans-77.4121-176.1-54.10000110.3I112 K113 E114 H120 L121 K145I112-T116 HydrophobicContact CB-CG2 4.02Å; I112-T116 HydrophobicContact CD1-CG2 4.35Å; I112-T116 HydrophobicContact CG2-CG2 4.21Å; K113-T116 PolarHBondContact N-OG1 3.48Å; K113-T116 VanDerWaalsContact O-CB 3.3Å; K113-T116 WeakPolarHBondContact O-CB 3.27Å; K113-T116 PolarHBondContact O-N 3.18Å; K113-T116 PolarHBondContact O-OG1 2.94Å; E114-T116 VanDerWaalsContact C-N 3.28Å; T116-H120 HydrophobicContact CG2-CB 4.34Å; T116-L121 HydrophobicContact CG2-CD2 4.41Å; T116-L121 HydrophobicContact CG2-CG 4.3Å; T116-K145 PolarHBondContact O-NZ 3.42Å
117E95.2Very high95.8Very high101 Ų10159 Ų5947%0.47229%0.289SS..  trans-109.5171.1-179.6-59-172.7175.200112.8D115 H119 H120 L121 I136D115-E117 PolarHBondContact O-N 3.43Å; E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 2.88Å; E117-H119 IonicContact OE2-CE1 3.73Å; E117-H119 PolarHBondContact OE2-CE1 3.24Å; E117-H119 IonicContact OE2-ND1 3.02Å; E117-H119 PolarHBondContact OE2-ND1 3.15Å; E117-H119 VanDerWaalsContact OE2-ND1 3.15Å; E117-H120 PolarHBondContact N-ND1 3.06Å; E117-H120 PolarHBondContact O-N 3.16Å; E117-L121 PolarHBondContact O-N 2.86Å; E117-I136 VanDerWaalsContact C-CD1 3.41Å
118E95.9Very high95.7Very high91 Ų9161 Ų6143%0.42530%0.297SS..Hα-helixtrans-56.8-43.7-178.2179.9177.5158.900112H120 L121 R122 I134E118-H120 VanDerWaalsContact C-N 3.32Å; E118-H120 PolarHBondContact O-N 2.66Å; E118-L121 PolarHBondContact O-N 3.23Å; E118-L121 VanDerWaalsContact O-N 3.13Å; E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 PolarHBondContact O-N 3.36Å; E118-R122 IonicContact OE1-CZ 3.37Å; E118-R122 IonicContact OE1-NE 2.66Å; E118-R122 IonicContact OE1-NH2 3.15Å; E118-R122 PolarHBondContact OE1-NH2 2.75Å; E118-I134 HydrophobicContact CG-CB 3.83Å; E118-I134 HydrophobicContact CG-CD1 3.74Å; E118-I134 HydrophobicContact CG-CG1 4.33Å; E118-I134 HydrophobicContact CG-CG2 3.9Å
119H97Very high95.6Very high85 Ų8559.1 Ų59.139%0.39430%0.295SS..Hα-helixtrans-61.6-39.6-177.869.3-94.1000112E117 L121 R122 D123E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 2.88Å; E117-H119 IonicContact OE2-CE1 3.73Å; E117-H119 PolarHBondContact OE2-CE1 3.24Å; E117-H119 IonicContact OE2-ND1 3.02Å; E117-H119 PolarHBondContact OE2-ND1 3.15Å; E117-H119 VanDerWaalsContact OE2-ND1 3.15Å; H119-L121 VanDerWaalsContact C-N 3.3Å; H119-L121 PolarHBondContact O-N 3.23Å; H119-R122 PolarHBondContact O-N 2.92Å; H119-R122 VanDerWaalsContact O-N 3.15Å; H119-D123 WeakPolarHBondContact O-CB 3.27Å; H119-D123 PolarHBondContact O-N 2.84Å
120H96.8Very high95.6Very high43 Ų4365.8 Ų65.820%0.19932%0.324CS..Hα-helixtrans-60.4-39.2175.8-57105.4000112.8T116 E117 E118 Y124 V170 N171T116-H120 HydrophobicContact CG2-CB 4.34Å; E117-H120 PolarHBondContact N-ND1 3.06Å; E117-H120 PolarHBondContact O-N 3.16Å; E118-H120 VanDerWaalsContact C-N 3.32Å; E118-H120 PolarHBondContact O-N 2.66Å; H120-Y124 WeakPolarHBondContact O-CB 3.32Å; H120-Y124 PolarHBondContact O-N 3.16Å; H120-V170 HydrophobicContact CB-CG1 4.34Å; H120-N171 HydrophobicContact CB-CB 4.1Å; H120-N171 PolarHBondContact CD2-OD1 2.9Å; H120-N171 PolarHBondContact NE2-OD1 3.45Å
121L97.1Very high95.7Very high0 Ų066.1 Ų66.10%032%0.324CS..Hα-helixtrans-71.1-42.6176-65.7169.6000110.3V109 I112 T116 E117 E118 H119 F125 I134 I136 A149 V170V109-L121 HydrophobicContact CG1-CD2 4.13Å; I112-L121 HydrophobicContact CG2-CD2 4.46Å; T116-L121 HydrophobicContact CG2-CD2 4.41Å; T116-L121 HydrophobicContact CG2-CG 4.3Å; E117-L121 PolarHBondContact O-N 2.86Å; E118-L121 PolarHBondContact O-N 3.23Å; E118-L121 VanDerWaalsContact O-N 3.13Å; H119-L121 VanDerWaalsContact C-N 3.3Å; H119-L121 PolarHBondContact O-N 3.23Å; L121-F125 HydrophobicContact CB-CD2 4.25Å; L121-F125 HydrophobicContact CD2-CD2 4.26Å; L121-F125 HydrophobicContact CD2-CE2 3.77Å; L121-F125 VanDerWaalsContact O-CB 3.28Å; L121-F125 WeakPolarHBondContact O-CB 3.28Å; L121-F125 WeakPolarHBondContact O-CD2 3.04Å; L121-F125 PolarHBondContact O-N 3.03Å; L121-I134 HydrophobicContact CB-CD1 4.34Å; L121-I134 HydrophobicContact CB-CG2 4.22Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; L121-I136 HydrophobicContact CD1-CD1 3.94Å; L121-I136 HydrophobicContact CD1-CG1 3.75Å; L121-A149 HydrophobicContact CD1-CB 3.57Å; L121-V170 HydrophobicContact CD2-CG1 4.1Å
122R97.6Very high95.9Very high76 Ų7669.1 Ų69.129%0.28733%0.325SS..Hα-helixtrans-59.8-56.7179.1-172.8174.2-68-82.5-0.1111.1E118 H119 Y124 F125 E126 I131 I134E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 PolarHBondContact O-N 3.36Å; E118-R122 IonicContact OE1-CZ 3.37Å; E118-R122 IonicContact OE1-NE 2.66Å; E118-R122 IonicContact OE1-NH2 3.15Å; E118-R122 PolarHBondContact OE1-NH2 2.75Å; H119-R122 PolarHBondContact O-N 2.92Å; H119-R122 VanDerWaalsContact O-N 3.15Å; R122-Y124 PolarHBondContact O-N 3.44Å; R122-F125 PolarHBondContact O-N 3.09Å; R122-E126 WeakPolarHBondContact O-CB 3.47Å; R122-E126 PolarHBondContact O-N 3.48Å; R122-I131 HydrophobicContact CG-CD1 4.33Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å
123D96.8Very high96Very high111 Ų11172 Ų7259%0.59434%0.343SS*.Hα-helixtrans-56.6-38-176.8-63.7-12.1000111.8H119H119-D123 WeakPolarHBondContact O-CB 3.27Å; H119-D123 PolarHBondContact O-N 2.84Å
124Y97Very high96.3Very high49 Ų4967 Ų6719%0.19232%0.322CS..Hα-helixtrans-77.1-45.6178.2-175-98.5000113.3H120 R122 Q127 Y128 H168 V170H120-Y124 WeakPolarHBondContact O-CB 3.32Å; H120-Y124 PolarHBondContact O-N 3.16Å; R122-Y124 PolarHBondContact O-N 3.44Å; Y124-Q127 VanDerWaalsContact O-CD 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.36Å; Y124-Q127 PolarHBondContact O-NE2 2.71Å; Y124-Y128 HydrophobicContact CE1-CE2 4.03Å; Y124-H168 HydrophobicContact CE1-CB 3.69Å; Y124-H168 AromaticContact CE1-CG 3.86Å; Y124-H168 AromaticContact CE1-ND1 3.5Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.1Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 WeakPolarHBondContact OH-CB 3.11Å; Y124-H168 PolarHBondContact OH-ND1 3.27Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.32Å; Y124-V170 HydrophobicContact CE1-CG2 3.94Å; Y124-V170 HydrophobicContact CG-CG2 3.72Å
125F97.5Very high96.5Very high0 Ų065 Ų650%031%0.312CS..Hα-helixtrans-85.6-21.2-171.1-74.9-58.5000113.7I107 V109 L121 R122 Q127 Y128 I131 V151 F153 I162 V170 V177I107-F125 HydrophobicContact CD1-CD1 3.94Å; I107-F125 HydrophobicContact CD1-CD2 4.48Å; I107-F125 HydrophobicContact CD1-CE1 3.76Å; I107-F125 HydrophobicContact CD1-CE2 4.34Å; I107-F125 HydrophobicContact CD1-CG 4.31Å; I107-F125 HydrophobicContact CD1-CZ 3.99Å; V109-F125 HydrophobicContact CG1-CE2 4.15Å; V109-F125 HydrophobicContact CG1-CZ 4.15Å; V109-F125 HydrophobicContact CG2-CE2 3.7Å; V109-F125 HydrophobicContact CG2-CZ 3.75Å; L121-F125 HydrophobicContact CB-CD2 4.25Å; L121-F125 HydrophobicContact CD2-CD2 4.26Å; L121-F125 HydrophobicContact CD2-CE2 3.77Å; L121-F125 VanDerWaalsContact O-CB 3.28Å; L121-F125 WeakPolarHBondContact O-CB 3.28Å; L121-F125 WeakPolarHBondContact O-CD2 3.04Å; L121-F125 PolarHBondContact O-N 3.03Å; R122-F125 PolarHBondContact O-N 3.09Å; F125-Q127 PolarHBondContact O-N 2.79Å; F125-Y128 HydrophobicContact CD1-CD2 4.3Å; F125-Y128 HydrophobicContact CD1-CE2 4.42Å; F125-Y128 PolarHBondContact O-N 2.89Å; F125-I131 HydrophobicContact CB-CD1 3.81Å; F125-V151 HydrophobicContact CD2-CG2 3.94Å; F125-V151 HydrophobicContact CE2-CG2 4.32Å; F125-F153 HydrophobicContact CB-CE1 4.4Å; F125-F153 HydrophobicContact CB-CZ 3.92Å; F125-F153 HydrophobicContact CG-CZ 4.45Å; F125-I162 HydrophobicContact CD1-CD1 3.79Å; F125-I162 HydrophobicContact CD1-CG1 4.39Å; F125-I162 HydrophobicContact CD1-CG2 4.44Å; F125-I162 HydrophobicContact CE1-CD1 4.34Å; F125-I162 HydrophobicContact CE1-CG2 3.94Å; F125-V170 HydrophobicContact CE2-CG2 4.35Å; F125-V170 HydrophobicContact CZ-CG2 4.33Å; F125-V177 HydrophobicContact CE1-CG2 4.27Å; F125-V177 HydrophobicContact CZ-CG2 3.95Å
126E96.6Very high96.6Very high105 Ų10563.1 Ų63.149%0.49130%0.302SS..G310 helixtrans-63.8-25179.5-174.2166.2-165.200112.1R122 Y128 G129 I131R122-E126 WeakPolarHBondContact O-CB 3.47Å; R122-E126 PolarHBondContact O-N 3.48Å; E126-Y128 PolarHBondContact O-N 2.87Å; E126-Y128 VanDerWaalsContact O-N 3.16Å; E126-G129 WeakPolarHBondContact CA-O 3.45Å; E126-G129 PolarHBondContact O-N 2.78Å; E126-G129 VanDerWaalsContact O-N 3.15Å; E126-I131 HydrophobicContact CB-CD1 4.12Å
127Q95.6Very high96.6Very high129 Ų12965.5 Ų65.560%0.60331%0.314SS*.G310 helixtrans-62.4-20.5173.980.7-170.9-2.100113.7Y124 F125Y124-Q127 VanDerWaalsContact O-CD 3.31Å; Y124-Q127 WeakPolarHBondContact O-CG 3.36Å; Y124-Q127 PolarHBondContact O-NE2 2.71Å; F125-Q127 PolarHBondContact O-N 2.79Å
128Y95.4Very high96.6Very high43 Ų4364 Ų6417%0.16931%0.311CS..G310 helixtrans-93.4-15.8179.1-63.2-85.2000113Y124 F125 E126 S158 K161 I162Y124-Y128 HydrophobicContact CE1-CE2 4.03Å; F125-Y128 HydrophobicContact CD1-CD2 4.3Å; F125-Y128 HydrophobicContact CD1-CE2 4.42Å; F125-Y128 PolarHBondContact O-N 2.89Å; E126-Y128 PolarHBondContact O-N 2.87Å; E126-Y128 VanDerWaalsContact O-N 3.16Å; Y128-S158 WeakPolarHBondContact O-CB 3.44Å; Y128-S158 PolarHBondContact O-OG 2.94Å; Y128-K161 HydrophobicContact CD1-CB 4.02Å; Y128-K161 WeakPolarHBondContact O-CE 3.39Å; Y128-K161 PolarHBondContact O-NZ 2.96Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.98Å; Y128-I162 HydrophobicContact CD2-CG1 3.64Å; Y128-I162 HydrophobicContact CE1-CG1 4.08Å; Y128-I162 HydrophobicContact CE2-CG1 4.04Å; Y128-I162 HydrophobicContact CG-CD1 3.92Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å
129G95.4Very high96.3Very high23 Ų2363.1 Ų63.124%0.23731%0.309CS..SBendtrans152.6179.9178.100000113E126 I131 S158E126-G129 WeakPolarHBondContact CA-O 3.45Å; E126-G129 PolarHBondContact O-N 2.78Å; E126-G129 VanDerWaalsContact O-N 3.15Å; G129-I131 PolarHBondContact O-N 3.43Å; G129-S158 WeakPolarHBondContact CA-OG 3.48Å
130K97.4Very high95.8Very high139 Ų13971.1 Ų71.160%0.60434%0.336SS*.  trans-73.9122-170.6-178.4-175.8177.9-170.80111.2F153 D154K130-F153 WeakPolarHBondContact O-CA 3.36Å; K130-D154 WeakPolarHBondContact CB-OD2 3.26Å; K130-D154 WeakPolarHBondContact CD-OD2 3.46Å; K130-D154 PolarHBondContact O-N 3.47Å
131I98Very high95.5Very high14 Ų1472.7 Ų72.77%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-85.3128177.5-60.8172.7000109.8R122 F125 E126 G129 I134 V151 F153R122-I131 HydrophobicContact CG-CD1 4.33Å; F125-I131 HydrophobicContact CB-CD1 3.81Å; E126-I131 HydrophobicContact CB-CD1 4.12Å; G129-I131 PolarHBondContact O-N 3.43Å; I131-I134 HydrophobicContact CD1-CD1 4.29Å; I131-I134 HydrophobicContact CG2-CD1 4.05Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I131-V151 HydrophobicContact CD1-CG1 4.1Å; I131-V151 HydrophobicContact CG1-CG1 4.04Å; I131-V151 HydrophobicContact CG2-CG1 3.83Å; I131-F153 HydrophobicContact CG1-CD1 4.03Å; I131-F153 HydrophobicContact CG1-CE1 3.7Å; I131-F153 HydrophobicContact CG1-CZ 4.37Å
132E97.9Very high95.2Very high112 Ų11275.9 Ų75.952%0.52339%0.386SS..EExtended strand (participates in β ladder)trans-88.6-48.2171.9-66.7-171.3154.400111.7T152 D154E132-T152 PolarHBondContact N-O 2.9Å; E132-D154 HydrophobicContact CG-CB 4.07Å
133V97.4Very high94.8Very high68 Ų6874.8 Ų74.841%0.41240%0.398SS..EExtended strand (participates in β ladder)trans-145.2137.5-172-172.90000111.1E135 T152V133-E135 HydrophobicContact CG1-CG 3.93Å; V133-T152 PolarHBondContact N-O 3.27Å; V133-T152 PolarHBondContact O-N 2.87Å
134I97.5Very high94.5Very high17 Ų1775.7 Ų75.79%0.08740%0.397CS..EExtended strand (participates in β ladder)trans-119129.3169.9-58.3174.8000108.6E118 L121 R122 I131 I136 V151E118-I134 HydrophobicContact CG-CB 3.83Å; E118-I134 HydrophobicContact CG-CD1 3.74Å; E118-I134 HydrophobicContact CG-CG1 4.33Å; E118-I134 HydrophobicContact CG-CG2 3.9Å; L121-I134 HydrophobicContact CB-CD1 4.34Å; L121-I134 HydrophobicContact CB-CG2 4.22Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å; I131-I134 HydrophobicContact CD1-CD1 4.29Å; I131-I134 HydrophobicContact CG2-CD1 4.05Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I134-I136 HydrophobicContact CG2-CG1 4.49Å; I134-V151 HydrophobicContact CG1-CG1 4.28Å; I134-V151 HydrophobicContact CG1-CG2 4.43Å; I134-V151 HydrophobicContact CG2-CG2 4.46Å
135E96.2Very high94.2Very high80 Ų8076 Ų7637%0.37440%0.399SS..EExtended strand (participates in β ladder)trans-126.9101.3-179.6-65.2176.785.800110K106 V133 M137 A149 F150K106-E135 IonicContact NZ-OE2 2.64Å; K106-E135 PolarHBondContact NZ-OE2 3.4Å; V133-E135 HydrophobicContact CG1-CG 3.93Å; E135-M137 HydrophobicContact CB-SD 4.41Å; E135-A149 CarbonylContact O-C 3.53Å; E135-A149 WeakPolarHBondContact O-CA 3.05Å; E135-A149 WeakPolarHBondContact O-CB 3.23Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.74Å; E135-F150 PolarHBondContact O-N 2.97Å
136I96.1Very high94Very high39 Ų3982.7 Ų82.720%0.242%0.424CS..EExtended strand (participates in β ladder)trans-83.4120.1171.9-60.2179.5000108.8I112 E117 L121 I134 T138 K145 A149I112-I136 HydrophobicContact CD1-CG2 4.42Å; E117-I136 VanDerWaalsContact C-CD1 3.41Å; L121-I136 HydrophobicContact CD1-CD1 3.94Å; L121-I136 HydrophobicContact CD1-CG1 3.75Å; I134-I136 HydrophobicContact CG2-CG1 4.49Å; I136-T138 PolarHBondContact O-N 3.37Å; I136-K145 HydrophobicContact CG2-CD 3.9Å; I136-K145 HydrophobicContact CG2-CG 4.05Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
137M94.9Very high93.9Very high51 Ų5178.7 Ų78.725%0.25141%0.412SS..EExtended strand (participates in β ladder)trans-82.7120.5-170.9-60-59.1-59.100110.7E135 R146 F148 F150E135-M137 HydrophobicContact CB-SD 4.41Å; M137-R146 WeakPolarHBondContact O-CB 3.49Å; M137-R146 PolarHBondContact O-N 2.91Å; M137-F148 HydrophobicContact CB-CD1 4.4Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.34Å; M137-F148 HydrophobicContact CB-CZ 3.7Å; M137-F148 WeakPolarHBondContact CB-O 3.24Å; M137-F148 HydrophobicContact CG-CD2 3.66Å; M137-F148 HydrophobicContact CG-CE2 3.34Å; M137-F148 HydrophobicContact CG-CG 4.49Å; M137-F148 HydrophobicContact CG-CZ 3.89Å; M137-F148 PolarHBondContact N-O 3.36Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.95Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.14Å
138T93.5Very high93.9Very high68 Ų6874.1 Ų74.142%0.41739%0.39SS..EExtended strand (participates in β ladder)trans-107.2153.9175540000111.4I136 K144 K145 R146I136-T138 PolarHBondContact O-N 3.37Å; T138-K144 CarbonylContact C-O 3.51Å; T138-K144 VanDerWaalsContact CA-O 3.31Å; T138-K144 WeakPolarHBondContact CA-O 3.5Å; T138-K145 HydrophobicContact CG2-CG 4.05Å; T138-R146 WeakPolarHBondContact O-CD 3.35Å
139D90Very high94Very high73 Ų7372 Ų7239%0.3938%0.382SS..  trans-74.6129.2171.6177.6-103.1000109.3G141 S142 G143 K144 R146D139-G141 PolarHBondContact O-N 3.23Å; D139-G141 PolarHBondContact OD1-N 3.45Å; D139-S142 WeakPolarHBondContact CB-OG 3.26Å; D139-S142 PolarHBondContact OD1-N 2.92Å; D139-S142 PolarHBondContact OD1-OG 3.48Å; D139-G143 WeakPolarHBondContact O-CA 3.36Å; D139-G143 PolarHBondContact O-N 2.96Å; D139-K144 PolarHBondContact N-O 3.14Å; D139-R146 HydrophobicContact CB-CG 4.12Å
140R87.8Confident94.1Very high254 Ų25472.7 Ų72.796%0.95838%0.378SS*.THydrogen-bonded Turntrans-68.3-23.1-172.2-67.7-177.1178.7-173.7-3.7113.4
141G89.9Confident94.2Very high75 Ų7566.1 Ų66.177%0.77335%0.349SS*.THydrogen-bonded Turntrans-89.2-49.1-179.600000112.4D139D139-G141 PolarHBondContact O-N 3.23Å; D139-G141 PolarHBondContact OD1-N 3.45Å
142S90.4Very high94.2Very high68 Ų6866.6 Ų66.648%0.47635%0.353SS..THydrogen-bonded Turntrans-92.7-15.5-173.562.30000114.7D139 K144D139-S142 WeakPolarHBondContact CB-OG 3.26Å; D139-S142 PolarHBondContact OD1-N 2.92Å; D139-S142 PolarHBondContact OD1-OG 3.48Å; S142-K144 PolarHBondContact O-N 2.88Å; S142-K144 VanDerWaalsContact O-N 3.14Å; S142-K144 PolarHBondContact OG-N 2.86Å
143G88.7Confident94.2Very high52 Ų5261.2 Ų61.254%0.53633%0.328SS..  trans70.6-3.4-171.100000114.1D139D139-G143 WeakPolarHBondContact O-CA 3.36Å; D139-G143 PolarHBondContact O-N 2.96Å
144K90.4Very high94.2Very high130 Ų13060.8 Ų60.857%0.56532%0.323SS*.  trans-69.2143.1-179.1-66.3-172.4177.4-169.10111.1T138 D139 S142 R146T138-K144 CarbonylContact C-O 3.51Å; T138-K144 VanDerWaalsContact CA-O 3.31Å; T138-K144 WeakPolarHBondContact CA-O 3.5Å; D139-K144 PolarHBondContact N-O 3.14Å; S142-K144 PolarHBondContact O-N 2.88Å; S142-K144 VanDerWaalsContact O-N 3.14Å; S142-K144 PolarHBondContact OG-N 2.86Å; K144-R146 PolarHBondContact O-N 2.79Å
145K92.5Very high94.1Very high55 Ų5561.8 Ų61.824%0.23933%0.329CS..EExtended strand (participates in β ladder)trans-66.6132.3174.9-65.5179-170.5164.80109.3E114 T116 I136 T138 G147E114-K145 HydrophobicContact CG-CB 4.45Å; E114-K145 VanDerWaalsContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CD 3.43Å; E114-K145 WeakPolarHBondContact O-CE 3.09Å; E114-K145 PolarHBondContact O-NZ 3.46Å; T116-K145 PolarHBondContact O-NZ 3.42Å; I136-K145 HydrophobicContact CG2-CD 3.9Å; I136-K145 HydrophobicContact CG2-CG 4.05Å; T138-K145 HydrophobicContact CG2-CG 4.05Å; K145-G147 PolarHBondContact O-N 3.04Å
146R93.2Very high94.1Very high141 Ų14158.8 Ų58.853%0.53232%0.315SS..EExtended strand (participates in β ladder)trans-79.13.3-177-64.3174.461.1-165-4.5113.5M137 T138 D139 K144 F148M137-R146 WeakPolarHBondContact O-CB 3.49Å; M137-R146 PolarHBondContact O-N 2.91Å; T138-R146 WeakPolarHBondContact O-CD 3.35Å; D139-R146 HydrophobicContact CB-CG 4.12Å; K144-R146 PolarHBondContact O-N 2.79Å; R146-F148 HydrophobicContact CB-CD1 3.76Å; R146-F148 HydrophobicContact CB-CE1 3.48Å; R146-F148 VanDerWaalsContact CB-CE1 3.48Å; R146-F148 HydrophobicContact CB-CZ 4.48Å; R146-F148 HydrophobicContact CG-CE1 4.4Å; R146-F148 VanDerWaalsContact CZ-CZ 3.47Å
147G94Very high94.1Very high22 Ų2257 Ų5723%0.22731%0.306CS..EExtended strand (participates in β ladder)trans76.820.9-179.200000114.9G111 I112 K145G111-G147 PolarHBondContact N-O 2.63Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.97Å; I112-G147 WeakPolarHBondContact O-CA 3.17Å; K145-G147 PolarHBondContact O-N 3.04Å
148F95.9Very high94.2Very high32 Ų3254.8 Ų54.814%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-148.8156.8171.869.4-83.2000112.4F108 V109 M137 R146 F150F108-F148 HydrophobicContact CD2-CB 4.47Å; F108-F148 AromaticContact CD2-CD2 3.96Å; F108-F148 HydrophobicContact CD2-CD2 3.96Å; F108-F148 HydrophobicContact CE2-CB 3.6Å; F108-F148 AromaticContact CE2-CD2 3.41Å; F108-F148 HydrophobicContact CE2-CD2 3.41Å; F108-F148 VanDerWaalsContact CE2-CD2 3.41Å; F108-F148 HydrophobicContact CE2-CE2 4.15Å; F108-F148 AromaticContact CE2-CG 3.66Å; F108-F148 HydrophobicContact CE2-CG 3.66Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.39Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; V109-F148 CarbonylContact O-C 3.52Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.42Å; M137-F148 HydrophobicContact CB-CD1 4.4Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.34Å; M137-F148 HydrophobicContact CB-CZ 3.7Å; M137-F148 WeakPolarHBondContact CB-O 3.24Å; M137-F148 HydrophobicContact CG-CD2 3.66Å; M137-F148 HydrophobicContact CG-CE2 3.34Å; M137-F148 HydrophobicContact CG-CG 4.49Å; M137-F148 HydrophobicContact CG-CZ 3.89Å; M137-F148 PolarHBondContact N-O 3.36Å; R146-F148 HydrophobicContact CB-CD1 3.76Å; R146-F148 HydrophobicContact CB-CE1 3.48Å; R146-F148 VanDerWaalsContact CB-CE1 3.48Å; R146-F148 HydrophobicContact CB-CZ 4.48Å; R146-F148 HydrophobicContact CG-CE1 4.4Å; R146-F148 VanDerWaalsContact CZ-CZ 3.47Å; F148-F150 HydrophobicContact CD2-CE2 4.07Å; F148-F150 HydrophobicContact CD2-CZ 4.43Å; F148-F150 AromaticContact CE2-CE2 3.72Å; F148-F150 HydrophobicContact CE2-CE2 3.72Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å
149A97.4Very high94.4Very high0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-134.9166.9176.400000110.9V109 I112 L121 E135 I136V109-A149 PolarHBondContact N-O 3.45Å; V109-A149 PolarHBondContact O-N 2.95Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; L121-A149 HydrophobicContact CD1-CB 3.57Å; E135-A149 CarbonylContact O-C 3.53Å; E135-A149 WeakPolarHBondContact O-CA 3.05Å; E135-A149 WeakPolarHBondContact O-CB 3.23Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
150F97.7Very high94.6Very high37 Ų3748.4 Ų48.416%0.16226%0.258CS..EExtended strand (participates in β ladder)trans-119.9143.7164.3-63-85.7000110.7K106 I107 F108 E135 M137 F148 A180K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.38Å; K106-F150 HydrophobicContact CG-CB 4.25Å; K106-F150 HydrophobicContact CG-CD1 4.31Å; I107-F150 VanDerWaalsContact O-CA 3.24Å; I107-F150 WeakPolarHBondContact O-CA 3.4Å; I107-F150 WeakPolarHBondContact O-CD1 3.3Å; F108-F150 HydrophobicContact CB-CD1 4.21Å; F108-F150 HydrophobicContact CB-CE1 3.95Å; F108-F150 AromaticContact CD2-CE1 3.84Å; F108-F150 HydrophobicContact CD2-CE1 3.84Å; F108-F150 AromaticContact CD2-CZ 4Å; F108-F150 HydrophobicContact CD2-CZ 4Å; F108-F150 HydrophobicContact CG-CE1 4.41Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.74Å; E135-F150 PolarHBondContact O-N 2.97Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.95Å; M137-F150 HydrophobicContact SD-CD2 3.97Å; M137-F150 HydrophobicContact SD-CE2 4.14Å; F148-F150 HydrophobicContact CD2-CE2 4.07Å; F148-F150 HydrophobicContact CD2-CZ 4.43Å; F148-F150 AromaticContact CE2-CE2 3.72Å; F148-F150 HydrophobicContact CE2-CE2 3.72Å; F148-F150 HydrophobicContact CE2-CZ 4.15Å; F150-A180 HydrophobicContact CD1-CB 3.84Å; F150-A180 HydrophobicContact CE1-CB 3.9Å
151V98.1Very high94.8Very high0 Ų038.6 Ų38.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124.9127.4173.3-176.90000107.6K106 I107 V109 F125 I131 I134 F153K106-V151 CarbonylContact C-O 3.56Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.35Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.38Å; I107-V151 WeakPolarHBondContact CG1-O 3.18Å; I107-V151 PolarHBondContact N-O 3.07Å; I107-V151 PolarHBondContact O-N 2.79Å; I107-V151 VanDerWaalsContact O-N 3.13Å; V109-V151 HydrophobicContact CG2-CG2 4.22Å; F125-V151 HydrophobicContact CD2-CG2 3.94Å; F125-V151 HydrophobicContact CE2-CG2 4.32Å; I131-V151 HydrophobicContact CD1-CG1 4.1Å; I131-V151 HydrophobicContact CG1-CG1 4.04Å; I131-V151 HydrophobicContact CG2-CG1 3.83Å; I134-V151 HydrophobicContact CG1-CG1 4.28Å; I134-V151 HydrophobicContact CG1-CG2 4.43Å; I134-V151 HydrophobicContact CG2-CG2 4.46Å; V151-F153 HydrophobicContact CB-CE2 4.28Å; V151-F153 HydrophobicContact CG1-CD2 4.34Å; V151-F153 HydrophobicContact CG1-CE2 3.78Å; V151-F153 HydrophobicContact CG1-CZ 3.89Å
152T98.2Very high95.1Very high24 Ų2435 Ų3515%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-109.3126.4178-49.60000108.6K105 E132 V133K105-T152 CarbonylContact O-C 3.51Å; K105-T152 WeakPolarHBondContact O-CA 3.47Å; E132-T152 PolarHBondContact N-O 2.9Å; V133-T152 PolarHBondContact N-O 3.27Å; V133-T152 PolarHBondContact O-N 2.87Å
153F98.3Very high95.2Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-101.3164.5177.5-65.4-91.2000110.8K105 I107 F125 K130 I131 V151 D155 V159 I162K105-F153 WeakPolarHBondContact CB-O 3.22Å; K105-F153 PolarHBondContact O-N 3.21Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.35Å; I107-F153 HydrophobicContact CG1-CE2 3.98Å; F125-F153 HydrophobicContact CB-CE1 4.4Å; F125-F153 HydrophobicContact CB-CZ 3.92Å; F125-F153 HydrophobicContact CG-CZ 4.45Å; K130-F153 WeakPolarHBondContact O-CA 3.36Å; I131-F153 HydrophobicContact CG1-CD1 4.03Å; I131-F153 HydrophobicContact CG1-CE1 3.7Å; I131-F153 HydrophobicContact CG1-CZ 4.37Å; V151-F153 HydrophobicContact CB-CE2 4.28Å; V151-F153 HydrophobicContact CG1-CD2 4.34Å; V151-F153 HydrophobicContact CG1-CE2 3.78Å; V151-F153 HydrophobicContact CG1-CZ 3.89Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 WeakPolarHBondContact CB-O 3.48Å; F153-V159 HydrophobicContact CD2-CG2 3.87Å; F153-V159 HydrophobicContact CE2-CG2 4.49Å; F153-I162 HydrophobicContact CE1-CD1 4.21Å; F153-I162 HydrophobicContact CE2-CD1 3.63Å; F153-I162 HydrophobicContact CZ-CD1 3.31Å
154D96.9Very high95.2Very high58 Ų5833.2 Ų33.231%0.3116%0.159SC..SBendtrans-74-22.8171.868.5-16000112.6K105 K130 E132K105-D154 WeakPolarHBondContact CD-O 3.39Å; K105-D154 WeakPolarHBondContact CE-O 3.5Å; K105-D154 PolarHBondContact NZ-O 2.91Å; K130-D154 WeakPolarHBondContact CB-OD2 3.26Å; K130-D154 WeakPolarHBondContact CD-OD2 3.46Å; K130-D154 PolarHBondContact O-N 3.47Å; E132-D154 HydrophobicContact CG-CB 4.07Å
155D96.5Very high95.1Very high39 Ų3932 Ų3221%0.20916%0.155CC..  trans-133.2149.6-176.6-173.728.5000113.4R75 F153 D157R75-D155 IonicContact CZ-OD1 2.97Å; R75-D155 IonicContact CZ-OD2 2.79Å; R75-D155 IonicContact NH1-OD1 2.63Å; R75-D155 PolarHBondContact NH1-OD1 2.84Å; R75-D155 IonicContact NH1-OD2 3.07Å; R75-D155 PolarHBondContact NH1-OD2 3.5Å; R75-D155 VanDerWaalsContact NH1-OD2 3.16Å; R75-D155 IonicContact NH2-OD1 3.94Å; R75-D155 IonicContact NH2-OD2 2.82Å; R75-D155 PolarHBondContact NH2-OD2 2.93Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 WeakPolarHBondContact CB-O 3.48Å; D155-D157 WeakPolarHBondContact OD2-CB 3.47Å; D155-D157 PolarHBondContact OD2-N 3.14Å
156H96.1Very high94.9Very high17 Ų1732.3 Ų32.38%0.07916%0.157CC..Hα-helixtrans-76.3-23.9178.673.585.3000112.7R75 T103 V104 K105 S158 V159 D160R75-H156 PolarHBondContact NH1-CD2 3.29Å; R75-H156 PolarHBondContact NH1-CE1 2.82Å; R75-H156 PolarHBondContact NH1-NE2 3.06Å; T103-H156 HydrophobicContact CG2-CB 3.67Å; V104-H156 WeakPolarHBondContact O-CB 3.38Å; K105-H156 HydrophobicContact CG-CB 4.5Å; H156-S158 VanDerWaalsContact C-N 3.26Å; H156-S158 PolarHBondContact O-N 2.99Å; H156-V159 WeakPolarHBondContact O-CB 3.31Å; H156-V159 PolarHBondContact O-N 3.46Å; H156-D160 IonicContact CE1-OD2 3.24Å; H156-D160 IonicContact ND1-OD2 3.92Å; H156-D160 PolarHBondContact ND1-OD2 2.87Å; H156-D160 PolarHBondContact O-N 2.75Å
157D96.4Very high95Very high1 Ų130.8 Ų30.81%0.00515%0.152CC..Hα-helixtrans-61.2-37.5178.3-178.758.1000111.5M72 R88 D155 V159 D160 K161M72-D157 HydrophobicContact CE-CB 3.76Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.39Å; R88-D157 IonicContact CZ-OD1 2.98Å; R88-D157 IonicContact CZ-OD2 3.86Å; R88-D157 IonicContact NE-OD1 2.97Å; R88-D157 PolarHBondContact NE-OD1 2.98Å; R88-D157 IonicContact NE-OD2 3.86Å; R88-D157 IonicContact NH2-OD1 3.87Å; R88-D157 PolarHBondContact NH2-OD1 3.23Å; R88-D157 IonicContact NH2-OD2 2.92Å; R88-D157 PolarHBondContact NH2-OD2 3.05Å; D155-D157 WeakPolarHBondContact OD2-CB 3.47Å; D155-D157 PolarHBondContact OD2-N 3.14Å; D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 PolarHBondContact O-N 2.93Å; D157-D160 PolarHBondContact O-N 2.94Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.82Å; D157-K161 WeakPolarHBondContact OD2-CE 3.45Å; D157-K161 IonicContact OD2-NZ 3.05Å; D157-K161 PolarHBondContact OD2-NZ 3.38Å
158S96.5Very high95.1Very high4 Ų429.7 Ų29.73%0.02814%0.141CC..Hα-helixtrans-57.7-44.1173.5-60.10000111.4Y128 G129 H156 I162Y128-S158 WeakPolarHBondContact O-CB 3.44Å; Y128-S158 PolarHBondContact O-OG 2.94Å; G129-S158 WeakPolarHBondContact CA-OG 3.48Å; H156-S158 VanDerWaalsContact C-N 3.26Å; H156-S158 PolarHBondContact O-N 2.99Å; S158-I162 VanDerWaalsContact O-CD1 3.24Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.34Å
159V96.8Very high95.1Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-63.5-47.5175.4175.80000111.2V104 K105 I107 F153 H156 D157 K161 I162 V163 K179V104-V159 HydrophobicContact CG2-CG1 3.98Å; V104-V159 WeakPolarHBondContact O-CB 3.15Å; V104-V159 WeakPolarHBondContact O-CG2 3.25Å; K105-V159 VanDerWaalsContact C-CG2 3.42Å; I107-V159 HydrophobicContact CG2-CB 4.09Å; I107-V159 HydrophobicContact CG2-CG1 3.54Å; I107-V159 HydrophobicContact CG2-CG2 3.94Å; F153-V159 HydrophobicContact CD2-CG2 3.87Å; F153-V159 HydrophobicContact CE2-CG2 4.49Å; H156-V159 WeakPolarHBondContact O-CB 3.31Å; H156-V159 PolarHBondContact O-N 3.46Å; D157-V159 VanDerWaalsContact C-N 3.29Å; D157-V159 PolarHBondContact O-N 2.93Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 3.04Å; V159-I162 PolarHBondContact O-N 2.98Å; V159-V163 HydrophobicContact CG1-CG1 4.11Å; V159-V163 WeakPolarHBondContact O-CG1 3.39Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.37Å; V159-K179 HydrophobicContact CG1-CG 3.92Å
160D94.2Very high95Very high7 Ų732.5 Ų32.54%0.03716%0.16CC..Hα-helixtrans-61.8-39.9-178.5-69.3-32.3000111.6R88 H156 D157 I164 K179R88-D160 HydrophobicContact CB-CB 4.1Å; R88-D160 HydrophobicContact CG-CB 4.09Å; H156-D160 IonicContact CE1-OD2 3.24Å; H156-D160 IonicContact ND1-OD2 3.92Å; H156-D160 PolarHBondContact ND1-OD2 2.87Å; H156-D160 PolarHBondContact O-N 2.75Å; D157-D160 PolarHBondContact O-N 2.94Å; D160-I164 WeakPolarHBondContact O-CD1 3.07Å; D160-I164 VanDerWaalsContact O-CG1 3.25Å; D160-I164 WeakPolarHBondContact O-CG1 3.29Å; D160-K179 WeakPolarHBondContact OD1-CE 3.41Å; D160-K179 IonicContact OD1-NZ 2.99Å; D160-K179 PolarHBondContact OD1-NZ 2.85Å
161K93.2Very high94.8Very high49 Ų4933.2 Ų33.221%0.21317%0.166CC..Hα-helixtrans-57.7-48.2172.4-78.9-177.4-74.8-141.50112.3Y128 D157 V159Y128-K161 HydrophobicContact CD1-CB 4.02Å; Y128-K161 WeakPolarHBondContact O-CE 3.39Å; Y128-K161 PolarHBondContact O-NZ 2.96Å; D157-K161 WeakPolarHBondContact O-CG 3.47Å; D157-K161 PolarHBondContact O-N 2.82Å; D157-K161 WeakPolarHBondContact OD2-CE 3.45Å; D157-K161 IonicContact OD2-NZ 3.05Å; D157-K161 PolarHBondContact OD2-NZ 3.38Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 3.04Å
162I94.9Very high94.6Very high0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-66.3-51.5-174.4-67.1163000109.8I107 F125 Y128 F153 S158 V159 I164 Q165 H168 V177I107-I162 HydrophobicContact CD1-CD1 4.06Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; F125-I162 HydrophobicContact CD1-CD1 3.79Å; F125-I162 HydrophobicContact CD1-CG1 4.39Å; F125-I162 HydrophobicContact CD1-CG2 4.44Å; F125-I162 HydrophobicContact CE1-CD1 4.34Å; F125-I162 HydrophobicContact CE1-CG2 3.94Å; Y128-I162 HydrophobicContact CD1-CG1 3.67Å; Y128-I162 HydrophobicContact CD2-CD1 3.98Å; Y128-I162 HydrophobicContact CD2-CG1 3.64Å; Y128-I162 HydrophobicContact CE1-CG1 4.08Å; Y128-I162 HydrophobicContact CE2-CG1 4.04Å; Y128-I162 HydrophobicContact CG-CD1 3.92Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å; F153-I162 HydrophobicContact CE1-CD1 4.21Å; F153-I162 HydrophobicContact CE2-CD1 3.63Å; F153-I162 HydrophobicContact CZ-CD1 3.31Å; S158-I162 VanDerWaalsContact O-CD1 3.24Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.34Å; V159-I162 PolarHBondContact O-N 2.98Å; I162-I164 PolarHBondContact O-N 2.94Å; I162-I164 VanDerWaalsContact O-N 3.1Å; I162-Q165 CarbonylContact O-C 3.51Å; I162-Q165 PolarHBondContact O-N 3.08Å; I162-H168 WeakPolarHBondContact CG2-NE2 3.29Å; I162-H168 PolarHBondContact O-NE2 3.42Å; I162-H168 VanDerWaalsContact O-NE2 3.11Å; I162-V177 HydrophobicContact CG2-CB 4.1Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å; I162-V177 HydrophobicContact CG2-CG2 4.49Å
163V93.5Very high94.4Very high30 Ų3037.6 Ų37.618%0.18220%0.203CC..Hα-helixtrans-70.7-11.7-169.8-59.80000114.7I107 V159 V177 K179I107-V163 HydrophobicContact CG2-CG1 4.22Å; V159-V163 HydrophobicContact CG1-CG1 4.11Å; V159-V163 WeakPolarHBondContact O-CG1 3.39Å; V159-V163 WeakPolarHBondContact O-CG2 3.35Å; V159-V163 PolarHBondContact O-N 3.37Å; V163-V177 HydrophobicContact CG1-CG1 4.49Å; V163-K179 HydrophobicContact CG1-CG 4.03Å; V163-K179 HydrophobicContact CG2-CG 4.29Å
164I88.4Confident94.2Very high52 Ų5242.4 Ų42.427%0.26723%0.229SC..Hα-helixtrans-63.1-37.9169.8-64158.5000109.8L13 R88 D160 I162L13-I164 HydrophobicContact CD2-CB 4.3Å; L13-I164 HydrophobicContact CD2-CD1 4.02Å; L13-I164 HydrophobicContact CD2-CG2 3.47Å; L13-I164 VanDerWaalsContact CD2-CG2 3.47Å; R88-I164 HydrophobicContact CB-CD1 4.23Å; D160-I164 WeakPolarHBondContact O-CD1 3.07Å; D160-I164 VanDerWaalsContact O-CG1 3.25Å; D160-I164 WeakPolarHBondContact O-CG1 3.29Å; I162-I164 PolarHBondContact O-N 2.94Å; I162-I164 VanDerWaalsContact O-N 3.1Å
165Q88.3Confident94.2Very high103 Ų10339.7 Ų39.748%0.48122%0.215SC..SBendtrans-89113.1169.6-178.9170.4-22.900108.9I162 Y167 H168I162-Q165 CarbonylContact O-C 3.51Å; I162-Q165 PolarHBondContact O-N 3.08Å; Q165-Y167 VanDerWaalsContact C-N 3.33Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.38Å; Q165-Y167 PolarHBondContact NE2-O 2.84Å; Q165-Y167 PolarHBondContact O-N 2.81Å; Q165-H168 PolarHBondContact O-CD2 2.73Å; Q165-H168 PolarHBondContact O-NE2 2.69Å
166K88.7Confident94.1Very high62 Ų6240.6 Ų40.627%0.2722%0.217SC..SBendtrans-67.9-34.6-176-170.6-177179.3-158.40113E176 V177K166-E176 WeakPolarHBondContact CE-OE1 3.43Å; K166-E176 HydrophobicContact CG-CG 4.34Å; K166-E176 IonicContact NZ-OE1 3.35Å; K166-E176 PolarHBondContact NZ-OE1 2.94Å; K166-V177 PolarHBondContact O-N 3.33Å
167Y94.7Very high94.1Very high109 Ų10939.8 Ų39.843%0.42721%0.214SC..EExtended strand (participates in β ladder)trans-122.9131-171.4-60.6-67.6000111Q165 N174 C175 E176Q165-Y167 VanDerWaalsContact C-N 3.33Å; Q165-Y167 VanDerWaalsContact CG-O 3.24Å; Q165-Y167 WeakPolarHBondContact CG-O 3.38Å; Q165-Y167 PolarHBondContact NE2-O 2.84Å; Q165-Y167 PolarHBondContact O-N 2.81Å; Y167-N174 WeakPolarHBondContact CB-OD1 3.43Å; Y167-C175 CarbonylContact C-O 3.47Å; Y167-C175 VanDerWaalsContact CA-O 3.29Å; Y167-C175 WeakPolarHBondContact CA-O 3.37Å; Y167-E176 HydrophobicContact CD1-CB 4.22Å; Y167-E176 HydrophobicContact CE1-CB 4.16Å; Y167-E176 HydrophobicContact CE1-CG 4.29Å
168H96.5Very high94Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-125.4146-179.1-66.3-96.1000109.8Y124 I162 Q165 V170 N174 C175 V177Y124-H168 HydrophobicContact CE1-CB 3.69Å; Y124-H168 AromaticContact CE1-CG 3.86Å; Y124-H168 AromaticContact CE1-ND1 3.5Å; Y124-H168 WeakPolarHBondContact CE1-ND1 3.1Å; Y124-H168 AromaticContact CZ-ND1 3.6Å; Y124-H168 WeakPolarHBondContact OH-CB 3.11Å; Y124-H168 PolarHBondContact OH-ND1 3.27Å; I162-H168 WeakPolarHBondContact CG2-NE2 3.29Å; I162-H168 PolarHBondContact O-NE2 3.42Å; I162-H168 VanDerWaalsContact O-NE2 3.11Å; Q165-H168 PolarHBondContact O-CD2 2.73Å; Q165-H168 PolarHBondContact O-NE2 2.69Å; H168-V170 HydrophobicContact CB-CG2 4.45Å; H168-N174 CarbonylContact O-C 3.59Å; H168-N174 WeakPolarHBondContact O-CA 3.5Å; H168-N174 PolarHBondContact O-OD1 3.29Å; H168-C175 PolarHBondContact N-O 3.15Å; H168-C175 PolarHBondContact O-N 3.24Å; H168-C175 PolarHBondContact O-SG 3.02Å; H168-V177 HydrophobicContact CB-CG2 4.32Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.14Å
169T96Very high93.9Very high87 Ų8745.3 Ų45.353%0.53424%0.235SC..EExtended strand (participates in β ladder)trans-96.6108.6174.7-55.80000108.9H173T169-H173 CarbonylContact C-O 3.57Å; T169-H173 WeakPolarHBondContact CA-O 3.11Å
170V95.2Very high93.8Very high3 Ų345.9 Ų45.92%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-122.4128.9178.5-177.20000109H120 L121 Y124 F125 H168 G172 H173H120-V170 HydrophobicContact CB-CG1 4.34Å; L121-V170 HydrophobicContact CD2-CG1 4.1Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.32Å; Y124-V170 HydrophobicContact CE1-CG2 3.94Å; Y124-V170 HydrophobicContact CG-CG2 3.72Å; F125-V170 HydrophobicContact CE2-CG2 4.35Å; F125-V170 HydrophobicContact CZ-CG2 4.33Å; H168-V170 HydrophobicContact CB-CG2 4.45Å; V170-G172 PolarHBondContact O-N 3.29Å; V170-H173 PolarHBondContact N-O 3.25Å; V170-H173 PolarHBondContact O-N 3.11Å
171N94Very high93.7Very high53 Ų5347 Ų4728%0.28325%0.245SC..THydrogen-bonded Turntrans52.438.7-175.1-168.830.1000113.1D115 H120 H173D115-N171 PolarHBondContact OD1-ND2 3.02Å; D115-N171 PolarHBondContact OD2-ND2 3.48Å; H120-N171 HydrophobicContact CB-CB 4.1Å; H120-N171 PolarHBondContact CD2-OD1 2.9Å; H120-N171 PolarHBondContact NE2-OD1 3.45Å; N171-H173 PolarHBondContact O-CD2 3.14Å; N171-H173 PolarHBondContact O-N 2.84Å; N171-H173 VanDerWaalsContact O-N 3.15Å; N171-H173 PolarHBondContact O-NE2 3.38Å
172G93.6Very high93.4Very high69 Ų6947.2 Ų47.271%0.71125%0.253SS*.THydrogen-bonded Turntrans72.6-0.2-176.800000115.4V170V170-G172 PolarHBondContact O-N 3.29Å
173H93Very high92.9Very high47 Ų4756 Ų5622%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-106.5138.8-179.8-56.2-63000111.2K113 D115 T169 V170 N171 C175K113-H173 HydrophobicContact CG-CB 4.37Å; K113-H173 WeakPolarHBondContact CG-ND1 3.42Å; D115-H173 IonicContact OD1-CD2 3.96Å; D115-H173 IonicContact OD1-NE2 2.97Å; D115-H173 PolarHBondContact OD1-NE2 3.11Å; D115-H173 IonicContact OD2-CD2 3.88Å; D115-H173 IonicContact OD2-CE1 3.33Å; D115-H173 IonicContact OD2-NE2 3.4Å; D115-H173 PolarHBondContact OD2-NE2 3.49Å; T169-H173 CarbonylContact C-O 3.57Å; T169-H173 WeakPolarHBondContact CA-O 3.11Å; V170-H173 PolarHBondContact N-O 3.25Å; V170-H173 PolarHBondContact O-N 3.11Å; N171-H173 PolarHBondContact O-CD2 3.14Å; N171-H173 PolarHBondContact O-N 2.84Å; N171-H173 VanDerWaalsContact O-N 3.15Å; N171-H173 PolarHBondContact O-NE2 3.38Å; H173-C175 PolarHBondContact O-N 3.44Å
174N95Very high92.5Very high101 Ų10162.3 Ų62.354%0.5432%0.319SS..EExtended strand (participates in β ladder)trans-79.6112174.2-167.740.1000110Y167 H168Y167-N174 WeakPolarHBondContact CB-OD1 3.43Å; H168-N174 CarbonylContact O-C 3.59Å; H168-N174 WeakPolarHBondContact O-CA 3.5Å; H168-N174 PolarHBondContact O-OD1 3.29Å
175C95.8Very high92.3Very high1 Ų162.9 Ų62.91%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-107.1148.5179.166.90000111.3V109 G110 I112 Y167 H168 H173V109-C175 HydrophobicContact CG1-CB 4Å; G110-C175 CarbonylContact O-C 3.47Å; G110-C175 WeakPolarHBondContact O-CA 3.34Å; G110-C175 WeakPolarHBondContact O-CB 3.16Å; I112-C175 HydrophobicContact CG2-CB 4.02Å; Y167-C175 CarbonylContact C-O 3.47Å; Y167-C175 VanDerWaalsContact CA-O 3.29Å; Y167-C175 WeakPolarHBondContact CA-O 3.37Å; H168-C175 PolarHBondContact N-O 3.15Å; H168-C175 PolarHBondContact O-N 3.24Å; H168-C175 PolarHBondContact O-SG 3.02Å; H173-C175 PolarHBondContact O-N 3.44Å
176E95.7Very high92Very high57 Ų5762.4 Ų62.427%0.26632%0.319SS..EExtended strand (participates in β ladder)trans-94.6126.9174.2-179.4175.9-179.500109.4G110 K166 Y167 R178G110-E176 PolarHBondContact N-O 3.34Å; G110-E176 PolarHBondContact O-N 3.19Å; K166-E176 WeakPolarHBondContact CE-OE1 3.43Å; K166-E176 HydrophobicContact CG-CG 4.34Å; K166-E176 IonicContact NZ-OE1 3.35Å; K166-E176 PolarHBondContact NZ-OE1 2.94Å; Y167-E176 HydrophobicContact CD1-CB 4.22Å; Y167-E176 HydrophobicContact CE1-CB 4.16Å; Y167-E176 HydrophobicContact CE1-CG 4.29Å; E176-R178 HydrophobicContact CG-CG 4.32Å; E176-R178 WeakPolarHBondContact OE1-CD 3.23Å
177V96Very high91.8Very high1 Ų162.4 Ų62.41%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-114.2134.3179.6-173.10000111.3I107 F108 V109 F125 I162 V163 K166 H168I107-V177 HydrophobicContact CB-CG1 3.92Å; I107-V177 HydrophobicContact CD1-CG1 3.85Å; I107-V177 HydrophobicContact CG1-CG1 4.42Å; I107-V177 HydrophobicContact CG2-CG1 4.13Å; F108-V177 WeakPolarHBondContact O-CA 3.38Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.32Å; F125-V177 HydrophobicContact CE1-CG2 4.27Å; F125-V177 HydrophobicContact CZ-CG2 3.95Å; I162-V177 HydrophobicContact CG2-CB 4.1Å; I162-V177 HydrophobicContact CG2-CG1 3.46Å; I162-V177 VanDerWaalsContact CG2-CG1 3.46Å; I162-V177 HydrophobicContact CG2-CG2 4.49Å; V163-V177 HydrophobicContact CG1-CG1 4.49Å; K166-V177 PolarHBondContact O-N 3.33Å; H168-V177 HydrophobicContact CB-CG2 4.32Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.14Å
178R93.7Very high91.1Very high97 Ų9760.5 Ų60.537%0.36633%0.333SS..EExtended strand (participates in β ladder)trans-144.4159.7-179.7-62.6176.864.8166.1-3.3110.5I107 F108 E176 A180I107-R178 CarbonylContact C-O 3.47Å; I107-R178 WeakPolarHBondContact CA-O 3.39Å; F108-R178 PolarHBondContact N-O 3.33Å; F108-R178 PolarHBondContact O-N 3.36Å; E176-R178 HydrophobicContact CG-CG 4.32Å; E176-R178 WeakPolarHBondContact OE1-CD 3.23Å; R178-A180 PolarHBondContact O-N 3.46Å
179K95.5Very high90.1Very high24 Ų2461.3 Ų61.310%0.10434%0.34CS..EExtended strand (participates in β ladder)trans-56.6129.5166.4-70.9-170.8172.6-174.70109.5A100 L102 V104 V159 D160 V163 L181A100-K179 PolarHBondContact O-NZ 2.75Å; L102-K179 PolarHBondContact O-NZ 2.9Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 3.95Å; V104-K179 HydrophobicContact CG2-CG 3.78Å; V159-K179 HydrophobicContact CG1-CG 3.92Å; D160-K179 WeakPolarHBondContact OD1-CE 3.41Å; D160-K179 IonicContact OD1-NZ 2.99Å; D160-K179 PolarHBondContact OD1-NZ 2.85Å; V163-K179 HydrophobicContact CG1-CG 4.03Å; V163-K179 HydrophobicContact CG2-CG 4.29Å; K179-L181 PolarHBondContact O-N 2.87Å
180A94.6Very high88.7Confident11 Ų1160.5 Ų60.59%0.09134%0.338CS..PPolyproline II helixtrans-73.3122.517700000109.5K106 F150 R178K106-A180 HydrophobicContact CB-CB 3.93Å; K106-A180 HydrophobicContact CD-CB 4.28Å; K106-A180 HydrophobicContact CG-CB 3.74Å; K106-A180 VanDerWaalsContact O-CB 3.24Å; K106-A180 WeakPolarHBondContact O-CB 2.99Å; K106-A180 PolarHBondContact O-N 2.67Å; F150-A180 HydrophobicContact CD1-CB 3.84Å; F150-A180 HydrophobicContact CE1-CB 3.9Å; R178-A180 PolarHBondContact O-N 3.46Å
181L90.8Very high87Confident30 Ų3064.1 Ų64.116%0.15736%0.363CS..PPolyproline II helixtrans-94.3143.6174.2-60.5-178.6000109.5P98 L102 K179 E185 M186 A189P98-L181 HydrophobicContact CB-CD1 4.46Å; L102-L181 HydrophobicContact CD1-CD2 3.64Å; K179-L181 PolarHBondContact O-N 2.87Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.41Å; L181-M186 HydrophobicContact CB-CG 3.68Å; L181-A189 HydrophobicContact CD1-CB 4.48Å
182S86.8Confident85.2Confident54 Ų5465.2 Ų65.238%0.37838%0.375SS..PPolyproline II helixtrans-60.9161.3168.668.80000110.7Q184 E185 M186S182-Q184 PolarHBondContact O-N 2.8Å; S182-E185 WeakPolarHBondContact CB-OE2 3.25Å; S182-E185 PolarHBondContact N-OE2 3.01Å; S182-E185 PolarHBondContact O-N 3.2Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.33Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.39Å; S182-E185 PolarHBondContact OG-N 3.39Å; S182-E185 PolarHBondContact OG-OE2 3.02Å; S182-M186 WeakPolarHBondContact O-CG 3.4Å; S182-M186 PolarHBondContact O-N 3.42Å
183K85.4Confident83.2Confident184 Ų18469.5 Ų69.580%0.838%0.377SS*.Hα-helixtrans-56.3-36177.3-68.4-179.4-178.1173.90112.4M186 A187K183-M186 HydrophobicContact CG-CE 4.44Å; K183-A187 WeakPolarHBondContact O-CB 3.06Å; K183-A187 PolarHBondContact O-N 3.35Å
184Q84.8Confident80.9Confident164 Ų16478 Ų7877%0.76641%0.407SS*.Hα-helixtrans-69.1-44.6177.7-69178.3-700111.4S182 M186 A187 S188S182-Q184 PolarHBondContact O-N 2.8Å; Q184-M186 VanDerWaalsContact C-N 3.34Å; Q184-M186 PolarHBondContact O-N 2.67Å; Q184-A187 PolarHBondContact O-N 3.37Å; Q184-S188 PolarHBondContact O-N 2.96Å; Q184-S188 PolarHBondContact O-OG 3.38Å
185E84.3Confident78.7Confident64 Ų6476.5 Ų76.530%0.29942%0.415SS..Hα-helixtrans-65.7-35.3175.9-70.4163.6133.200112.4L102 L181 S182 S188 A189L102-E185 VanDerWaalsContact CD1-OE1 3.29Å; L102-E185 WeakPolarHBondContact CD1-OE1 3.29Å; L181-E185 HydrophobicContact CB-CB 3.9Å; L181-E185 HydrophobicContact CD2-CB 4.41Å; S182-E185 WeakPolarHBondContact CB-OE2 3.25Å; S182-E185 PolarHBondContact N-OE2 3.01Å; S182-E185 PolarHBondContact O-N 3.2Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.33Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.39Å; S182-E185 PolarHBondContact OG-N 3.39Å; S182-E185 PolarHBondContact OG-OE2 3.02Å; E185-S188 WeakPolarHBondContact CA-OG 3.35Å; E185-S188 PolarHBondContact O-OG 3.35Å; E185-A189 WeakPolarHBondContact O-CB 3.24Å; E185-A189 PolarHBondContact O-N 3.07Å
186M82.4Confident76.5Confident92 Ų9287.2 Ų87.245%0.45346%0.455SS..Hα-helixtrans-66.5-40.5172.6-73.1-161.2-68.400112.2L181 S182 K183 Q184 S190L181-M186 HydrophobicContact CB-CG 3.68Å; S182-M186 WeakPolarHBondContact O-CG 3.4Å; S182-M186 PolarHBondContact O-N 3.42Å; K183-M186 HydrophobicContact CG-CE 4.44Å; Q184-M186 VanDerWaalsContact C-N 3.34Å; Q184-M186 PolarHBondContact O-N 2.67Å; M186-S190 WeakPolarHBondContact O-CB 3.35Å; M186-S190 PolarHBondContact O-N 3.14Å; M186-S190 PolarHBondContact O-OG 3.18Å
187A84.9Confident73.9Confident63 Ų6389.7 Ų89.752%0.52148%0.479SS..Hα-helixtrans-65.2-44177.400000111.2K183 Q184 S190 S191K183-A187 WeakPolarHBondContact O-CB 3.06Å; K183-A187 PolarHBondContact O-N 3.35Å; Q184-A187 PolarHBondContact O-N 3.37Å; A187-S190 PolarHBondContact O-N 3.09Å; A187-S191 PolarHBondContact O-N 3.36Å
188S80Confident71.1Confident69 Ų6993.5 Ų93.548%0.48352%0.518SS..Hα-helixtrans-66.8-43.1176.864.40000111.8Q184 E185 S190 S191 S192Q184-S188 PolarHBondContact O-N 2.96Å; Q184-S188 PolarHBondContact O-OG 3.38Å; E185-S188 WeakPolarHBondContact CA-OG 3.35Å; E185-S188 PolarHBondContact O-OG 3.35Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.32Å; S188-S191 PolarHBondContact O-N 3.47Å; S188-S191 PolarHBondContact O-OG 2.66Å; S188-S192 PolarHBondContact O-N 3.26Å
189A75Confident68.7Low16 Ų1694.7 Ų94.713%0.13254%0.541CS..Hα-helixtrans-62.4-33.8175.600000113.4P98 L181 E185 S192P98-A189 HydrophobicContact CB-CB 3.54Å; P98-A189 HydrophobicContact CG-CB 3.85Å; L181-A189 HydrophobicContact CD1-CB 4.48Å; E185-A189 WeakPolarHBondContact O-CB 3.24Å; E185-A189 PolarHBondContact O-N 3.07Å; A189-S192 PolarHBondContact O-OG 3.21Å
190S66.6Low66.1Low71 Ų7196.2 Ų96.250%0.49756%0.564SS.*Hα-helixtrans-76.8-32177.5-58.40000112.2M186 A187 S188 Q193 R194M186-S190 WeakPolarHBondContact O-CB 3.35Å; M186-S190 PolarHBondContact O-N 3.14Å; M186-S190 PolarHBondContact O-OG 3.18Å; A187-S190 PolarHBondContact O-N 3.09Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S188-S190 PolarHBondContact O-N 3.32Å; S190-Q193 PolarHBondContact O-N 2.85Å; S190-R194 PolarHBondContact O-N 3.13Å
191S60.1Low63.5Low78 Ų78103.3 Ų103.355%0.54560%0.6SS.*Hα-helixtrans-68.4-33.5178.172.80000112.7A187 S188 Q193 R194 G195A187-S191 PolarHBondContact O-N 3.36Å; S188-S191 PolarHBondContact O-N 3.47Å; S188-S191 PolarHBondContact O-OG 2.66Å; S191-Q193 VanDerWaalsContact C-N 3.31Å; S191-Q193 PolarHBondContact O-N 3.34Å; S191-R194 PolarHBondContact O-N 3.17Å; S191-G195 PolarHBondContact O-N 2.73Å
192S54.8Low61.1Low77 Ų77111.6 Ų111.654%0.53864%0.635SS.*Hα-helixtrans-72.2-22.2178.558.70000113.5S188 A189S188-S192 PolarHBondContact O-N 3.26Å; A189-S192 PolarHBondContact O-OG 3.21Å
193Q51.4Low58.9Low159 Ų159112.1 Ų112.174%0.74365%0.649SS**Hα-helixtrans-86-25.5173.8-75.5-174.4-29.800113.9S190 S191S190-Q193 PolarHBondContact O-N 2.85Å; S191-Q193 VanDerWaalsContact C-N 3.31Å; S191-Q193 PolarHBondContact O-N 3.34Å
194R46.3Very low56.9Low226 Ų226106.8 Ų106.885%0.85365%0.646SS**Hα-helixtrans-86.3-10.5176.2-81.8-176.2174.7166.2-0.9114.6S190 S191S190-R194 PolarHBondContact O-N 3.13Å; S191-R194 PolarHBondContact O-N 3.17Å
195G48.1Very low54.6Low68 Ų68102.7 Ų102.770%0.70165%0.648SS**SBendtrans-86-5-17900000116.4S191S191-G195 PolarHBondContact O-N 2.73Å
196R49.9Very low52.6Low227 Ų227111.4 Ų111.486%0.85768%0.678SS**SBendtrans-109.76.8-172.1-142.1173.1-174.4175.61.1115.3
197S40.8Very low50.4Low109 Ų109111.3 Ų111.376%0.76270%0.701SS**SBendtrans-140.5104.7171.7-169.90000109.2
198G36.7Very low48.2Very low81 Ų81112 Ų11284%0.83572%0.715SS**  trans87.770.4166.900000116.6
199S44.7Very low46.1Very low121 Ų121111.7 Ų111.785%0.84672%0.722SS**  trans-119.782.4143.6-173.40000107.3N201S199-N201 PolarHBondContact O-N 3.46Å
200G40.2Very low44.4Very low56 Ų56121.6 Ų121.658%0.57776%0.762SS**  trans-58.7127.2161.400000107.8F202G200-F202 PolarHBondContact O-N 3.18Å
201N38.7Very low43.2Very low160 Ų160122 Ų12286%0.85678%0.777SS**  trans-6474.5179.5-16675.4000110.6S199 G203S199-N201 PolarHBondContact O-N 3.46Å; N201-G203 PolarHBondContact O-N 2.84Å
202F40.8Very low42.3Very low205 Ų205121.8 Ų121.890%0.89979%0.787SS**  trans-88.871.1163.4-83-82.4000108.4G200 G204G200-F202 PolarHBondContact O-N 3.18Å; F202-G204 PolarHBondContact O-N 2.97Å; F202-G204 VanDerWaalsContact O-N 3.15Å
203G42Very low41.5Very low64 Ų64125.1 Ų125.166%0.6680%0.8SS**  trans-66.3104.3159.600000108.1N201N201-G203 PolarHBondContact O-N 2.84Å
204G43.6Very low41.2Very low73 Ų73124.3 Ų124.375%0.75380%0.8SS**  trans-52.8140.3177.500000112.5F202F202-G204 PolarHBondContact O-N 2.97Å; F202-G204 VanDerWaalsContact O-N 3.15Å
205G35.7Very low40.9Very low78 Ų78120.4 Ų120.480%0.80480%0.796SS**  trans-60.4143.7-173.400000114.4
206R41.6Very low40.6Very low247 Ų247127.1 Ų127.193%0.93281%0.807SS**  trans-139.9113.5153.7-79.6-173.5175.6179.7-1.7108.4
207G37.2Very low40.1Very low89 Ų89119.5 Ų119.592%0.91880%0.799SS**  trans43.7114.9146.500000119.8
208G38.7Very low40.1Very low79 Ų79126.9 Ų126.981%0.81481%0.81SS**  trans-165.9112.2157.200000109.5
209G36.1Very low40.3Very low62 Ų62127 Ų12764%0.63981%0.811SS**  trans-78.3-165.8178.700000113.8
210F39.3Very low40Very low224 Ų224124.6 Ų124.698%0.98281%0.805SS**  trans77.3125.8-176.7-44.1-74.5000112.9
211G41Very low40Very low78 Ų78128.7 Ų128.780%0.80481%0.814SS**  cis166.1161.68.600000107.7
212G40.6Very low40.2Very low74 Ų74129.8 Ų129.876%0.76381%0.811SS**  trans93.6107.4171.200000114.3
213N37.9Very low40.3Very low148 Ų148125.3 Ų125.379%0.79181%0.805SS**  46.311885.5-111.951.2000111.3
214D45.6Very low40.3Very low142 Ų142125.6 Ų125.676%0.75981%0.808SS**  -162.4162.866.1-75.2-56.2000114
215N39.4Very low40.2Very low144 Ų144134.4 Ų134.477%0.7782%0.819SS**  trans-61.3-178.1-176.7-106-32.9000117.4
216F41.5Very low40.4Very low209 Ų209134.6 Ų134.692%0.91782%0.821SS**  trans93.5119.1169.4-51.5-73.5000114.2
217G39.5Very low40.4Very low67 Ų67126.2 Ų126.269%0.69181%0.812SS**  cis135.5139.915.500000108.8
218R41.3Very low40.6Very low264 Ų264132.3 Ų132.3100%0.99681%0.813SS**  trans81.3131.6-179-51.4-177.1-174.5-141.82.6114.2
219G39.9Very low40.7Very low83 Ų83132.5 Ų132.586%0.85682%0.815SS**  cis152.8151.614.100000104.9
220G40.1Very low41Very low71 Ų71132.9 Ų132.973%0.73282%0.819SS**  cis-167.5172.3-4.200000109.5
221N40.4Very low41Very low141 Ų141128 Ų12875%0.75481%0.813SS**  trans40.1125.9154.8-68.2-1.7000121.6
222F42.1Very low41Very low183 Ų183136.2 Ų136.280%0.80382%0.819SS**  -174.1126.685.4-102.4-85.2000111.6
223S42.6Very low41.1Very low111 Ų111136.5 Ų136.578%0.77682%0.822SS**  trans22.1138.5145.4540000120.5
224G41.9Very low41.1Very low70 Ų70133.7 Ų133.772%0.72283%0.828SS**  cis142.314617.300000109.7
225R42.2Very low40.9Very low258 Ų258130.5 Ų130.597%0.97483%0.829SS**  trans67.7130176.1-90.9177.4177.1-172.2-0.5116.6
226G40.5Very low40.7Very low82 Ų82127.5 Ų127.585%0.84583%0.833SS**  cis124.4124.916.600000109.3
227G40.8Very low40.7Very low72 Ų72128.3 Ų128.374%0.74283%0.831SS**  trans151.385.2166.700000119.1
228F41.5Very low40.6Very low217 Ų217129.2 Ų129.295%0.95284%0.84SS**  trans17.3140.2141.6-66.3-87.3000125.2
229G41Very low40.6Very low83 Ų83120 Ų12086%0.85683%0.827SS**  trans109.5133.9141.200000115.1
230G41.2Very low40.8Very low70 Ų70122.3 Ų122.372%0.72283%0.831SS**  cis164.8138.71.400000109.9
231S41.1Very low40.9Very low120 Ų120122 Ų12284%0.83983%0.827SS**  trans74.4144.4144.7-57.40000123.6
232R40.4Very low41.1Very low251 Ų251122 Ų12295%0.94783%0.828SS**  trans97.5121.3162.3-54.9178.6-172.7-168.82.2114.5
233G41.5Very low41Very low80 Ų80116 Ų11683%0.82582%0.817SS**  cis120.8104.29.700000111.2
234G39.4Very low41Very low89 Ų89119.6 Ų119.692%0.91882%0.815SS**  trans83131.8147.800000119.7
235G40Very low40.9Very low75 Ų75123 Ų12377%0.77382%0.817SS**  trans149.290.2157.200000114.6
236G35.1Very low40.7Very low82 Ų82113.7 Ų113.785%0.84580%0.801SS**  trans-93.2152.3168.200000112.2
237Y41.9Very low40.7Very low225 Ų225119.6 Ų119.688%0.88280%0.804SS**  trans-147.4127.5163.446.1-89.2000108.9
238G37.9Very low40.6Very low86 Ų86119.9 Ų119.989%0.88781%0.807SS**  trans-107.8163.6169.800000111.3
239G42Very low40.5Very low70 Ų70117.4 Ų117.472%0.72280%0.803SS**  trans174.3105169.400000108.4
240S43Very low40.5Very low133 Ų133121.2 Ų121.293%0.9380%0.804SS**  57.8108.994.3-85.50000112.8
241G43Very low40.4Very low64 Ų64120.8 Ų120.866%0.6680%0.8SS**  123.115290.300000106.4
242D44Very low40.3Very low142 Ų142120.6 Ų120.676%0.75980%0.799SS**  cis-161.6-176.47.3-81.6-62.1000107.6Y244D242-Y244 VanDerWaalsContact CB-OH 3.32Å; D242-Y244 WeakPolarHBondContact CB-OH 3.31Å
243G39.8Very low40Very low57 Ų57115.2 Ų115.259%0.58879%0.789SS**  trans-51-170.8-17600000117.5
244Y42.6Very low39.9Very low185 Ų185120.9 Ų120.973%0.72579%0.791SS**  cis-169.4148.945.5-44.7-88.5000111D242D242-Y244 VanDerWaalsContact CB-OH 3.32Å; D242-Y244 WeakPolarHBondContact CB-OH 3.31Å
245N40.3Very low39.6Very low142 Ų142120.5 Ų120.576%0.75979%0.787SS**  trans66.4124.8147.1-51.5-27.8000119.4
246G38.3Very low39.4Very low63 Ų63120.9 Ų120.965%0.64979%0.791SS**  80.7113.953.200000108.1
247F40.7Very low39.3Very low205 Ų205120.4 Ų120.490%0.89979%0.786SS**  -168.1146.178.5-75.9-81.8000111
248G38.4Very low38.8Very low78 Ų78113.4 Ų113.480%0.80478%0.782SS**  trans-84.3165.7167.300000112.8
249N39.5Very low38.7Very low165 Ų165114.3 Ų114.388%0.88278%0.775SS**  trans-149.4120.6154.5-152.83.9000110.6
250D39.6Very low38.5Very low164 Ų164121.7 Ų121.788%0.87778%0.783SS**  trans-68.8158.7164.1-107-72000110.4
251G40.2Very low38.4Very low61 Ų61121.7 Ų121.763%0.62977%0.772SS**  trans153.191.6160.700000117.5
252S38.7Very low38.1Very low116 Ų116125.9 Ų125.981%0.81178%0.779SS**  trans53.4105.8133.455.40000120.7
253N34.3Very low38Very low138 Ų138126.2 Ų126.274%0.73877%0.774SS**  22.8119.2118.1-156.425000117.6
254F38.8Very low37.9Very low199 Ų199126.1 Ų126.187%0.87377%0.773SS**  175.5119.7128.9-98.8-72.8000110.8
255G33.7Very low37.4Very low81 Ų81124.1 Ų124.184%0.83578%0.775SS**  trans69.5119.8141.400000119.5
256G34.6Very low37.1Very low82 Ų82126.7 Ų126.785%0.84578%0.775SS**  trans156.6109.8151.700000116.1
257G34.9Very low37Very low73 Ų73129.9 Ų129.975%0.75378%0.777SS**  trans83.392141.800000117S259G257-S259 PolarHBondContact O-N 2.83Å; G257-S259 VanDerWaalsContact O-N 3.16Å
258G30.7Very low37Very low78 Ų78126.7 Ų126.780%0.80477%0.77SS**  trans-60.6113.7160.300000110.4
259S35.8Very low36.9Very low104 Ų104132.2 Ų132.273%0.72778%0.775SS**  trans-112.999.8171.3-146.40000107.6G257 N261G257-S259 PolarHBondContact O-N 2.83Å; G257-S259 VanDerWaalsContact O-N 3.16Å; S259-N261 PolarHBondContact O-N 2.83Å
260Y37.8Very low36.9Very low226 Ų226129 Ų12989%0.88677%0.765SS**  trans-79.291.8174.5-73.1-88.1000108.9
261N40.4Very low36.7Very low133 Ų133126.4 Ų126.471%0.71176%0.76SS**  trans-123.776.6164-73.9-34.1000107.9S259S259-N261 PolarHBondContact O-N 2.83Å
262D37.5Very low36.6Very low151 Ų151131.3 Ų131.381%0.80777%0.772SS**  trans-126.875.7169.2-149.6-22.9000108.4G264D262-G264 PolarHBondContact O-N 2.92Å
263F41.3Very low36.5Very low150 Ų150136.5 Ų136.566%0.65878%0.78SS**  trans-80.5108165.2-80.2-77.2000107.6N265F263-N265 PolarHBondContact O-N 3.37Å
264G36.7Very low36.7Very low54 Ų54133 Ų13356%0.55778%0.777SS**  trans-41.7123.8-171.400000114.8D262 Y266D262-G264 PolarHBondContact O-N 2.92Å; G264-Y266 PolarHBondContact O-N 2.59Å
265N32.8Very low36.8Very low143 Ų143129.1 Ų129.177%0.76577%0.771SS**  trans-57.1107.5164.3-162.1-6.3000109.7F263 N267F263-N265 PolarHBondContact O-N 3.37Å; N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 3.16Å
266Y35.1Very low37Very low196 Ų196133.9 Ų133.977%0.76977%0.774SS**  trans-72.485.1169-87.6-92.8000108.9G264G264-Y266 PolarHBondContact O-N 2.59Å
267N36Very low37.2Very low130 Ų130140 Ų14070%0.69578%0.777SS**  trans-111.1111.6167.9-138.8-2.6000110.7N265 Q269N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 3.16Å; N267-Q269 PolarHBondContact O-N 3.11Å; N267-Q269 VanDerWaalsContact O-N 3.17Å
268N39.9Very low37.3Very low138 Ų138140.5 Ų140.574%0.73878%0.783SS**  trans-16.3104.2157.7-119.9-55.7000113.7
269Q36.2Very low38.2Very low194 Ų194140.4 Ų140.491%0.90778%0.782SS**  trans-94.191.3157.6-80.7-175.6-29.200107.9N267 S271N267-Q269 PolarHBondContact O-N 3.11Å; N267-Q269 VanDerWaalsContact O-N 3.17Å; Q269-S271 PolarHBondContact O-N 3.4Å
270S40.9Very low38.2Very low98 Ų98143 Ų14369%0.68579%0.787SS**  trans-69.4121.7158.6620000108.1N272S270-N272 PolarHBondContact O-N 3.19Å
271S34.4Very low38.5Very low110 Ų110142.1 Ų142.177%0.76979%0.789SS**  trans-45123.515947.80000110.9Q269Q269-S271 PolarHBondContact O-N 3.4Å
272N37.8Very low38.4Very low164 Ų164139.3 Ų139.388%0.87779%0.791SS**  trans-154.8104.9148.7-120.215000110.8S270S270-N272 PolarHBondContact O-N 3.19Å
273F38.1Very low38.6Very low225 Ų225135.9 Ų135.999%0.98779%0.791SS**  trans-72.9124.1164.8-145.7-96.1000107.4
274G37.3Very low38.5Very low65 Ų65140.6 Ų140.667%0.6781%0.805SS**  trans175.5142.5173.500000112.7
275P41.9Very low38.6Very low116 Ų116143.3 Ų143.375%0.75382%0.815SS**  trans-117.8178.9-132.833-16.7000115.1
276M36.8Very low39.2Very low181 Ų181142.1 Ų142.189%0.89282%0.818SS**  trans90.5114.2157-52.2-176.7159.500118.4
277K39.8Very low39.6Very low211 Ų211135.9 Ų135.992%0.91781%0.814SS**  -166.6133.2109-130.4176.5176.3179.50111.5
278G37Very low39.9Very low84 Ų84135.8 Ų135.887%0.86682%0.82SS**  trans-74.2156.2-17400000115.2
279G48.4Very low40.1Very low76 Ų76139.7 Ų139.778%0.78483%0.826SS**  trans-129.6116.5164.900000108.8
280N36.5Very low40.3Very low157 Ų157134.2 Ų134.284%0.8482%0.821SS**  trans-81.9115.3-177.7179.279000110.2
281F43.4Very low40.3Very low209 Ų209133.7 Ų133.792%0.91783%0.831SS**  trans-129.9112.9163.1-89.9-84.7000109.3
282G38.8Very low40.6Very low74 Ų74132.6 Ų132.676%0.76384%0.837SS**  trans-78.4145.5172.100000111.4
283G41.6Very low40.9Very low79 Ų79127.7 Ų127.781%0.81483%0.825SS**  trans-175.9109.7177.500000110.4
284R38.9Very low41Very low249 Ų249125.6 Ų125.694%0.9482%0.819SS**  trans-65.3147-170.2-61.8159.5176.4-169.7-2.8113.6
285S40.2Very low41.4Very low111 Ų111133 Ų13378%0.77683%0.828SS**  125.3124.6121.7-161.20000117.9
286S45Very low41.5Very low117 Ų117137.1 Ų137.182%0.81884%0.835SS**  trans68.3115.2147.770.70000122.1
287G41.8Very low41.9Very low66 Ų66133.2 Ų133.268%0.6883%0.831SS**  trans156.6105.3143.600000113.9
288P43.9Very low42.1Very low127 Ų127132.8 Ų132.883%0.82583%0.829SS**  trans-115.6131.3166.935.1-21.5000112.6
289Y43.3Very low42.8Very low221 Ų221134.1 Ų134.187%0.86782%0.822SS**  trans-160.1132.8161.242.2-95.7000105.1
290G41.4Very low42.7Very low78 Ų78141.3 Ų141.380%0.80483%0.826SS**  cis134.2107.412.800000108.2
291G40.8Very low43Very low87 Ų87140.4 Ų140.490%0.89782%0.821SS**  trans85.1132.8166.700000116
292G40Very low43.2Very low87 Ų87139.4 Ų139.490%0.89782%0.819SS**  cis116.5111.716.700000110
293G44.4Very low43.3Very low61 Ų61139.7 Ų139.763%0.62982%0.822SS**  trans159.697170.300000115.2
294Q40.3Very low43.4Very low182 Ų182138.6 Ų138.685%0.8581%0.811SS**  trans-98.1137.4170.3-63.5174.8400109.6
295Y46Very low43.8Very low220 Ų220137.9 Ų137.986%0.86381%0.81SS**  trans-141.1143.3162.1-42.4-78.3000111.5
296F43.8Very low44Very low203 Ų203136.2 Ų136.289%0.8981%0.81SS**  trans-73157.2-168.5-86.5-122.1000115.3
297A43.8Very low44Very low99 Ų99133.8 Ų133.882%0.81880%0.804SS**  143.3113.7118.600000114.5
298K44.4Very low44.2Very low202 Ų202136.3 Ų136.388%0.87881%0.811SS**  trans-97.3162.1146.4-83.3-175.4176.8179.80106.4
299P52.6Low44.3Very low111 Ų111135.3 Ų135.372%0.72181%0.807SS**  cis-159.1-169.247.941.7-17.7000118
300R45.2Very low44.4Very low228 Ų228130.1 Ų130.186%0.8680%0.803SS**  trans73.8122.2153.6-86.6-179.6165.2174.1-4.5118.1
301N42.9Very low44.7Very low138 Ų138131.8 Ų131.874%0.73880%0.802SS**  104.1148.758.3-168.519.6000110.3
302Q47.5Very low45Very low187 Ų187132.6 Ų132.687%0.87479%0.794SS**  trans92129.1-175.4-55.9176.747.800113.5
303G42.3Very low45.3Very low80 Ų80132.7 Ų132.783%0.82578%0.781SS**  cis160.8153.64.700000109.4
304G42.3Very low45.6Very low56 Ų56139.7 Ų139.758%0.57779%0.79SS**  trans125.2104.7156.200000116.4
305Y47.8Very low46.1Very low235 Ų235134.5 Ų134.592%0.92279%0.786SS**  70.7132.388.774.3-111.2000112.5
306G44.4Very low46.3Very low76 Ų76130.4 Ų130.478%0.78479%0.789SS**  cis171.2167.70.300000110.7
307G44.1Very low46.9Very low66 Ų66124.7 Ų124.768%0.6879%0.787SS**  trans83.4113.4153.900000118.2
308S47.2Very low47.5Very low119 Ų119130.9 Ų130.983%0.83279%0.789SS**  76138.677.2630000112.6
309S45.6Very low48Very low106 Ų106131.5 Ų131.574%0.74179%0.786SS**  cis168.5146.31.441.50000106.1
310S46.5Very low48.6Very low112 Ų112139.6 Ų139.678%0.78381%0.811SS**  trans135.8118.8155.366.10000111.6
311S47.2Very low48.7Very low113 Ų113135.2 Ų135.279%0.7981%0.808SS**  cis78.9102.839.579.10000116.4
312S45.9Very low49Very low104 Ų104135 Ų13573%0.72781%0.812SS**  trans164.7113.2146.851.60000108.7
313S48.1Very low49.1Very low88 Ų88132.1 Ų132.162%0.61581%0.808SS**  46.1129.380-158.20000111.7
314Y50.2Low49.5Very low208 Ų208135.2 Ų135.282%0.81681%0.807SS**  -167.2146.963.3-58.3-84.3000110
315G49.4Very low50Low74 Ų74140.1 Ų140.176%0.76382%0.822SS**  92.3101.5109.600000114.8
316S51.1Low50.1Low133 Ų133133.8 Ų133.893%0.9382%0.815SS**  59.7112.591.7171.70000115.6
317G56Low50.5Low83 Ų83137.9 Ų137.986%0.85682%0.817SS**  trans-175.9115.5165.300000112.8
318R56.4Low51Low229 Ų229143.5 Ų143.586%0.86483%0.828SS**  trans-113.5158.9-169.5-161.4-167.2-85.5-173-6.7109
319R55.3Low51.3Low215 Ų215145.5 Ų145.581%0.81183%0.827SS**  trans87.4130.6167.1-56174.2164.4173-5.6114.1
320F64.4Low51.9Low281 Ų281149.1 Ų149.1100%1.23284%0.835SS**  cis-119.5039.4-73.1-95.4000115.1

Retrieved 320 of 320 residues in 1332.2 ms (Link to these results)

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