A0A077YZL8_TRITR Loading...

Acetyltransf 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low47Very low247 Ų247137.9 Ų137.9100%1.21769%0.691SS**  0105.10-107.117315800107.6
2A50.1Low47.3Very low103 Ų103138.2 Ų138.285%0.85169%0.689SS**PPolyproline II helixtrans-73.2130.2168.900000107.9
3L49.2Very low48.3Very low120 Ų120134 Ų13463%0.62869%0.689SS**PPolyproline II helixtrans-57.7140.7173.8-80.4147.6000109.3V7L3-V7 HydrophobicContact CB-CB 4.39Å; L3-V7 HydrophobicContact CD2-CB 4.02Å; L3-V7 HydrophobicContact CD2-CG1 3.61Å; L3-V7 HydrophobicContact CD2-CG2 4.41Å
4S52Low51.1Low66 Ų66129.7 Ų129.746%0.46267%0.668SS.*PPolyproline II helixtrans-62.5151.1-177.578.90000110.3R6 V7 Q8S4-R6 PolarHBondContact O-N 3.06Å; S4-R6 PolarHBondContact OG-N 2.95Å; S4-V7 PolarHBondContact O-N 2.8Å; S4-Q8 PolarHBondContact O-N 3.06Å
5K51.6Low54.1Low184 Ų184123.1 Ų123.180%0.863%0.633SS**Hα-helixtrans-51.1-23174.7-74-174.8176.3-177.80113.2K9K5-K9 VanDerWaalsContact O-CB 3.27Å; K5-K9 WeakPolarHBondContact O-CB 3.39Å; K5-K9 PolarHBondContact O-N 2.77Å; K5-K9 VanDerWaalsContact O-N 3.17Å
6R50.6Low56.8Low191 Ų191119.2 Ų119.272%0.72162%0.616SS**Hα-helixtrans-73.2-41.4175.7-166175.3179.2173.51.8112.2S4 K9 E10S4-R6 PolarHBondContact O-N 3.06Å; S4-R6 PolarHBondContact OG-N 2.95Å; R6-K9 PolarHBondContact O-N 3.04Å; R6-E10 WeakPolarHBondContact O-CG 3.35Å; R6-E10 PolarHBondContact O-N 3.24Å; R6-E10 VanDerWaalsContact O-N 3.12Å
7V49.2Very low59.2Low48 Ų48115.1 Ų115.129%0.29160%0.597SS.*Hα-helixtrans-76.5-30176.9-174.50000111.6L3 S4 K9 E10 L11L3-V7 HydrophobicContact CB-CB 4.39Å; L3-V7 HydrophobicContact CD2-CB 4.02Å; L3-V7 HydrophobicContact CD2-CG1 3.61Å; L3-V7 HydrophobicContact CD2-CG2 4.41Å; S4-V7 PolarHBondContact O-N 2.8Å; V7-K9 VanDerWaalsContact C-N 3.3Å; V7-E10 PolarHBondContact O-N 3.49Å; V7-L11 HydrophobicContact CG1-CD1 4.5Å
8Q41.8Very low61.3Low127 Ų127112.5 Ų112.559%0.59358%0.582SS**Hα-helixtrans-67-33.3171.6-124.8170.9-6.100112S4S4-Q8 PolarHBondContact O-N 3.06Å
9K44Very low63.2Low162 Ų162110.7 Ų110.770%0.70457%0.571SS**Hα-helixtrans-79.7-21.6176.9-152178.4-172-170.80113.5K5 R6 V7 L11K5-K9 VanDerWaalsContact O-CB 3.27Å; K5-K9 WeakPolarHBondContact O-CB 3.39Å; K5-K9 PolarHBondContact O-N 2.77Å; K5-K9 VanDerWaalsContact O-N 3.17Å; R6-K9 PolarHBondContact O-N 3.04Å; V7-K9 VanDerWaalsContact C-N 3.3Å; K9-L11 VanDerWaalsContact C-N 3.32Å
10E41.7Very low65Low127 Ų127105.6 Ų105.659%0.59355%0.545SS*.THydrogen-bonded Turntrans-80.5-7.7176.2-80.6169.9-179.600113.7R6 V7R6-E10 WeakPolarHBondContact O-CG 3.35Å; R6-E10 PolarHBondContact O-N 3.24Å; R6-E10 VanDerWaalsContact O-N 3.12Å; V7-E10 PolarHBondContact O-N 3.49Å
11L44.2Very low66.5Low142 Ų142104 Ų10474%0.74354%0.54SS*.SBendtrans-110.2-3.4-178-79.1161.6000114V7 K9V7-L11 HydrophobicContact CG1-CD1 4.5Å; K9-L11 VanDerWaalsContact C-N 3.32Å
12E50.9Low69.1Low141 Ų14197 Ų9766%0.65951%0.507SS*.SBendtrans-85.3130.5173-71.8178.4170.400109.1D14E12-D14 PolarHBondContact O-N 3.47Å; E12-D14 VanDerWaalsContact O-N 3.07Å
13A60Low71.4Confident84 Ų84101.1 Ų101.169%0.69451%0.506SS*.  trans-50.6114.7-171.300000112.9F15A13-F15 PolarHBondContact O-N 3.22Å
14D87.8Confident73.7Confident74 Ų7496.1 Ų96.140%0.39648%0.48SS..SBendtrans-62.64.8176-77.4-33.5000114.3E12 E75 T76E12-D14 PolarHBondContact O-N 3.47Å; E12-D14 VanDerWaalsContact O-N 3.07Å; D14-E75 CarbonylContact O-C 3.51Å; D14-E75 WeakPolarHBondContact O-CA 3.45Å; D14-T76 PolarHBondContact O-N 2.94Å; D14-T76 PolarHBondContact O-OG1 3.15Å
15F95.9Very high75.9Confident31 Ų3196.5 Ų96.514%0.13647%0.471CS..EExtended strand (participates in β ladder)trans-138.5138-170.8-54.5-77.5000112.4A13 V73 R74 E75 V82 F144 K147 L149A13-F15 PolarHBondContact O-N 3.22Å; F15-V73 HydrophobicContact CB-CG1 3.72Å; F15-V73 HydrophobicContact CD1-CG1 4.24Å; F15-V73 HydrophobicContact CG-CG1 4.22Å; F15-R74 CarbonylContact C-O 3.57Å; F15-R74 WeakPolarHBondContact CA-O 3.33Å; F15-E75 HydrophobicContact CD1-CB 4.11Å; F15-E75 HydrophobicContact CD1-CG 4.48Å; F15-E75 HydrophobicContact CE1-CB 3.91Å; F15-E75 HydrophobicContact CE1-CG 4.01Å; F15-V82 HydrophobicContact CD1-CG2 3.8Å; F15-V82 HydrophobicContact CE1-CG2 3.79Å; F15-F144 AromaticContact CE1-CD1 3.92Å; F15-F144 HydrophobicContact CE1-CD1 3.92Å; F15-F144 HydrophobicContact CE1-CE1 4.14Å; F15-F144 HydrophobicContact CZ-CD1 4Å; F15-F144 HydrophobicContact CZ-CE1 4.36Å; F15-K147 HydrophobicContact CE2-CD 4.36Å; F15-K147 HydrophobicContact CZ-CD 4.04Å; F15-L149 HydrophobicContact CB-CD2 4.35Å; F15-L149 HydrophobicContact CD1-CD2 3.91Å; F15-L149 HydrophobicContact CD2-CD2 3.7Å; F15-L149 HydrophobicContact CE1-CD1 4.22Å; F15-L149 HydrophobicContact CE1-CD2 4.16Å; F15-L149 HydrophobicContact CE2-CD2 3.94Å; F15-L149 HydrophobicContact CG-CD2 3.69Å; F15-L149 HydrophobicContact CZ-CD1 4.48Å; F15-L149 HydrophobicContact CZ-CD2 4.18Å
16T97Very high78.1Confident60 Ų6092.8 Ų92.837%0.36846%0.457SS..EExtended strand (participates in β ladder)trans-105.7147.4166.657.30000110.2V73 R74 T76T16-V73 CarbonylContact O-C 3.57Å; T16-V73 VanDerWaalsContact O-CA 3.27Å; T16-V73 WeakPolarHBondContact O-CA 3.24Å; T16-R74 PolarHBondContact N-O 2.9Å; T16-R74 PolarHBondContact O-N 3.29Å; T16-T76 HydrophobicContact CG2-CG2 3.93Å
17V97.8Very high80.3Confident49 Ų4987.1 Ų87.130%0.29744%0.438SS..EExtended strand (participates in β ladder)trans-116.8116.3176.8-170.30000108.6V71 I72 V73 Q152 K156V17-V71 HydrophobicContact CG1-CG1 3.49Å; V17-V71 VanDerWaalsContact CG1-CG1 3.49Å; V17-I72 WeakPolarHBondContact CA-O 3.48Å; V17-V73 HydrophobicContact CG1-CG2 4.46Å; V17-V73 HydrophobicContact CG2-CG1 4.42Å; V17-V73 HydrophobicContact CG2-CG2 4.3Å; V17-Q152 HydrophobicContact CG2-CB 4.04Å; V17-K156 HydrophobicContact CG1-CB 3.69Å; V17-K156 HydrophobicContact CG1-CG 3.85Å
18E97Very high82.7Confident69 Ų6984.9 Ų84.932%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-144.4171.4-170.463-170.2-178.300111.7V71 I72 R74E18-V71 WeakPolarHBondContact O-CA 3.36Å; E18-I72 HydrophobicContact CG-CD1 3.8Å; E18-I72 HydrophobicContact CG-CG1 3.55Å; E18-I72 PolarHBondContact N-O 3.34Å; E18-I72 WeakPolarHBondContact O-CG1 3.45Å; E18-I72 PolarHBondContact O-N 2.94Å; E18-R74 IonicContact OE1-CZ 2.74Å; E18-R74 IonicContact OE1-NE 3.96Å; E18-R74 PolarHBondContact OE1-NE 3.12Å; E18-R74 IonicContact OE1-NH2 3.16Å; E18-R74 PolarHBondContact OE1-NH2 3.16Å
19Q98.1Very high85.4Confident78 Ų7879.1 Ų79.136%0.36440%0.398SS..  trans-89.9136.4171.3-70.6161.1-89.300108.5G68 L160Q19-G68 PolarHBondContact NE2-O 3.42Å; Q19-L160 HydrophobicContact CG-CD1 4.09Å
20P97.9Very high88Confident9 Ų974 Ų746%0.05838%0.381CS..  trans-71.9156.1179.930.1-32.4000112D24 L28 I65 S70 I72P20-D24 HydrophobicContact CB-CB 4.08Å; P20-L28 HydrophobicContact CB-CD1 3.7Å; P20-L28 HydrophobicContact CG-CD1 4.13Å; P20-I65 HydrophobicContact CB-CG1 4.36Å; P20-I65 HydrophobicContact CG-CG1 4.32Å; P20-S70 WeakPolarHBondContact CD-O 3.38Å; P20-I72 HydrophobicContact CB-CD1 4.11Å; P20-I72 HydrophobicContact CB-CG1 4.38Å; P20-I72 HydrophobicContact CB-CG2 3.77Å; P20-I72 HydrophobicContact CG-CG2 4Å
21T97.4Very high90.7Very high71 Ų7168.2 Ų68.244%0.43635%0.354SS..  trans-119.1175.6171.767.80000110.5K23 D24T21-K23 PolarHBondContact O-N 3.32Å; T21-K23 VanDerWaalsContact O-N 3.1Å; T21-K23 PolarHBondContact OG1-N 3.02Å; T21-D24 PolarHBondContact N-OD2 3.17Å; T21-D24 VanDerWaalsContact O-CB 3.3Å; T21-D24 WeakPolarHBondContact O-CB 3.23Å; T21-D24 PolarHBondContact O-N 2.86Å; T21-D24 PolarHBondContact OG1-OD2 2.96Å
22D97.2Very high93.2Very high100 Ų10061.4 Ų61.454%0.53532%0.318SS..G310 helixtrans-58.3-26.7177.6-165.766.1000113.5D24 R25D22-D24 PolarHBondContact O-N 3.08Å; D22-R25 WeakPolarHBondContact O-CB 3.41Å; D22-R25 PolarHBondContact O-N 3.31Å; D22-R25 IonicContact OD1-CZ 2.7Å; D22-R25 IonicContact OD1-NH1 2.71Å; D22-R25 PolarHBondContact OD1-NH1 3.13Å; D22-R25 IonicContact OD2-NH1 3.07Å; D22-R25 PolarHBondContact OD2-NH1 2.94Å
23K97.2Very high95.5Very high191 Ų19158.8 Ų58.883%0.8330%0.302SS*.G310 helixtrans-65.3-18.9175.6-62.3-179.4-179.5177.90113.2T21T21-K23 PolarHBondContact O-N 3.32Å; T21-K23 VanDerWaalsContact O-N 3.1Å; T21-K23 PolarHBondContact OG1-N 3.02Å
24D97.9Very high97.2Very high14 Ų1458.4 Ų58.48%0.07529%0.286CS..G310 helixtrans-93.3-8.1-175.9-62.1-58.3000113.2P20 T21 D22 E26 Q27 L28 R74 I81P20-D24 HydrophobicContact CB-CB 4.08Å; T21-D24 PolarHBondContact N-OD2 3.17Å; T21-D24 VanDerWaalsContact O-CB 3.3Å; T21-D24 WeakPolarHBondContact O-CB 3.23Å; T21-D24 PolarHBondContact O-N 2.86Å; T21-D24 PolarHBondContact OG1-OD2 2.96Å; D22-D24 PolarHBondContact O-N 3.08Å; D24-E26 PolarHBondContact O-N 3.37Å; D24-Q27 PolarHBondContact O-N 3.23Å; D24-L28 HydrophobicContact CB-CD1 4.37Å; D24-L28 PolarHBondContact O-N 3.49Å; D24-R74 IonicContact OD1-CZ 3.26Å; D24-R74 IonicContact OD1-NH1 3.6Å; D24-R74 IonicContact OD1-NH2 3.52Å; D24-R74 PolarHBondContact OD1-NH2 3.49Å; D24-R74 IonicContact OD2-NH2 2.65Å; D24-I81 HydrophobicContact CB-CD1 3.68Å
25R97.9Very high97.6Very high75 Ų7554.9 Ų54.928%0.28327%0.268SS..Hα-helixtrans-52.5-51.9-172-177.7179.363.4-117.4-3.8113.1D22 Q27 L28 L29 V61 I65D22-R25 WeakPolarHBondContact O-CB 3.41Å; D22-R25 PolarHBondContact O-N 3.31Å; D22-R25 IonicContact OD1-CZ 2.7Å; D22-R25 IonicContact OD1-NH1 2.71Å; D22-R25 PolarHBondContact OD1-NH1 3.13Å; D22-R25 IonicContact OD2-NH1 3.07Å; D22-R25 PolarHBondContact OD2-NH1 2.94Å; R25-Q27 PolarHBondContact O-N 2.95Å; R25-L28 WeakPolarHBondContact O-CB 3.02Å; R25-L28 PolarHBondContact O-N 2.76Å; R25-L29 HydrophobicContact CG-CD1 4.05Å; R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 2.73Å; R25-V61 HydrophobicContact CB-CG1 4.46Å; R25-V61 HydrophobicContact CG-CG1 3.92Å; R25-I65 HydrophobicContact CB-CD1 4.04Å
26E98Very high97.7Very high106 Ų10655 Ų5550%0.49527%0.268SS..Hα-helixtrans-66-37.4-177.2-58.6-51.1134.700112.5D24 T30D24-E26 PolarHBondContact O-N 3.37Å; E26-T30 WeakPolarHBondContact O-CB 3.19Å; E26-T30 PolarHBondContact O-N 2.83Å; E26-T30 PolarHBondContact O-OG1 2.87Å
27Q98.1Very high97.7Very high71 Ų7152.2 Ų52.233%0.33225%0.251SS..Hα-helixtrans-68.6-36.8175.8-71.2-167.545.400111.6D24 R25 T30 L31 I81D24-Q27 PolarHBondContact O-N 3.23Å; R25-Q27 PolarHBondContact O-N 2.95Å; Q27-T30 PolarHBondContact O-N 3.14Å; Q27-L31 WeakPolarHBondContact O-CB 3.21Å; Q27-L31 PolarHBondContact O-N 3.31Å; Q27-I81 HydrophobicContact CB-CB 4.32Å; Q27-I81 HydrophobicContact CB-CD1 3.84Å; Q27-I81 HydrophobicContact CB-CG1 4.14Å
28L98.3Very high97.5Very high1 Ų154.9 Ų54.91%0.00526%0.256CS..Hα-helixtrans-64.7-46.8175-85.9168.2000112.3P20 D24 R25 T30 L31 L32 V61 I65 I72 I81 C84P20-L28 HydrophobicContact CB-CD1 3.7Å; P20-L28 HydrophobicContact CG-CD1 4.13Å; D24-L28 HydrophobicContact CB-CD1 4.37Å; D24-L28 PolarHBondContact O-N 3.49Å; R25-L28 WeakPolarHBondContact O-CB 3.02Å; R25-L28 PolarHBondContact O-N 2.76Å; L28-T30 VanDerWaalsContact C-N 3.29Å; L28-T30 PolarHBondContact O-N 2.87Å; L28-L31 WeakPolarHBondContact O-CB 3.31Å; L28-L31 PolarHBondContact O-N 2.74Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.28Å; L28-V61 HydrophobicContact CB-CG1 4.3Å; L28-V61 HydrophobicContact CB-CG2 4.39Å; L28-V61 HydrophobicContact CD1-CG1 4.31Å; L28-I65 HydrophobicContact CD1-CD1 4.34Å; L28-I72 HydrophobicContact CD1-CG2 4.21Å; L28-I72 HydrophobicContact CD2-CG2 3.69Å; L28-I72 HydrophobicContact CG-CG2 4.23Å; L28-I81 HydrophobicContact CD2-CG2 4.34Å; L28-I81 HydrophobicContact CG-CD1 4.12Å; L28-C84 HydrophobicContact CD2-CB 3.62Å
29L98.5Very high97.4Very high7 Ų755.1 Ų55.14%0.03726%0.257CS..Hα-helixtrans-61.3-41.2176.2-68165.4000111.3R25 L32 R33 W50 Q58 V61R25-L29 HydrophobicContact CG-CD1 4.05Å; R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 2.73Å; L29-L32 PolarHBondContact O-N 2.98Å; L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 3.13Å; L29-W50 HydrophobicContact CB-CH2 4.19Å; L29-W50 HydrophobicContact CB-CZ2 4.32Å; L29-W50 HydrophobicContact CD2-CH2 3.9Å; L29-W50 HydrophobicContact CD2-CZ2 4.28Å; L29-Q58 VanDerWaalsContact CD1-CD 3.49Å; L29-Q58 HydrophobicContact CD2-CG 4.34Å; L29-V61 HydrophobicContact CD2-CB 4.35Å; L29-V61 HydrophobicContact CD2-CG2 3.94Å; L29-V61 HydrophobicContact CG-CG2 4.41Å
30T98.3Very high97.3Very high55 Ų5551.8 Ų51.834%0.33724%0.242SC..Hα-helixtrans-60-47.2174.4-59.20000111.5E26 Q27 L28 L32 R33 E34E26-T30 WeakPolarHBondContact O-CB 3.19Å; E26-T30 PolarHBondContact O-N 2.83Å; E26-T30 PolarHBondContact O-OG1 2.87Å; Q27-T30 PolarHBondContact O-N 3.14Å; L28-T30 VanDerWaalsContact C-N 3.29Å; L28-T30 PolarHBondContact O-N 2.87Å; T30-L32 PolarHBondContact O-N 3.25Å; T30-R33 PolarHBondContact O-N 2.83Å; T30-E34 WeakPolarHBondContact CG2-OE1 3.22Å; T30-E34 WeakPolarHBondContact O-CB 3.35Å; T30-E34 WeakPolarHBondContact O-CG 3.35Å; T30-E34 PolarHBondContact O-N 2.84Å
31L98.5Very high97.2Very high4 Ų452.2 Ų52.22%0.02125%0.245CC..Hα-helixtrans-60.1-44.5175.817065.5000112.1Q27 L28 G35 I81 A83 C84 H141Q27-L31 WeakPolarHBondContact O-CB 3.21Å; Q27-L31 PolarHBondContact O-N 3.31Å; L28-L31 WeakPolarHBondContact O-CB 3.31Å; L28-L31 PolarHBondContact O-N 2.74Å; L31-G35 WeakPolarHBondContact O-CA 3.49Å; L31-G35 PolarHBondContact O-N 2.89Å; L31-I81 HydrophobicContact CD2-CG2 3.86Å; L31-A83 VanDerWaalsContact CD2-C 3.48Å; L31-C84 HydrophobicContact CD2-CB 3.92Å; L31-H141 HydrophobicContact CD1-CB 3.64Å
32L98.5Very high97.2Very high0 Ų048.9 Ų48.90%022%0.224CC..Iπ-helixtrans-64.2-43.3179.6-70.4165000110.9L28 L29 T30 F36 V37 Y57 V61 L86 T137 C139L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 3.28Å; L29-L32 PolarHBondContact O-N 2.98Å; T30-L32 PolarHBondContact O-N 3.25Å; L32-F36 HydrophobicContact CD2-CB 4.27Å; L32-F36 CarbonylContact O-C 3.59Å; L32-F36 WeakPolarHBondContact O-CA 3.49Å; L32-F36 PolarHBondContact O-N 3.05Å; L32-V37 PolarHBondContact O-N 3.17Å; L32-Y57 HydrophobicContact CD1-CD1 3.97Å; L32-Y57 HydrophobicContact CD1-CG 4.41Å; L32-Y57 HydrophobicContact CD2-CD1 4.5Å; L32-V61 HydrophobicContact CD1-CG2 3.55Å; L32-L86 HydrophobicContact CD1-CD1 3.97Å; L32-L86 HydrophobicContact CD2-CD1 4.21Å; L32-T137 HydrophobicContact CD2-CG2 3.72Å; L32-C139 HydrophobicContact CD2-CB 4.35Å
33R98.2Very high97.2Very high86 Ų8644.3 Ų44.333%0.32520%0.2SC..Iπ-helixtrans-60.3-54.6176-175.8-177.969.3-171.1-0.8111.9L29 T30 Y38 W50L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 3.13Å; T30-R33 PolarHBondContact O-N 2.83Å; R33-Y38 HydrophobicContact CG-CD2 4.47Å; R33-Y38 HydrophobicContact CG-CE2 3.8Å; R33-Y38 WeakPolarHBondContact O-CD2 3.27Å; R33-W50 HydrophobicContact CB-CD2 3.97Å; R33-W50 HydrophobicContact CB-CE3 3.58Å; R33-W50 HydrophobicContact CB-CH2 4.38Å; R33-W50 HydrophobicContact CB-CZ3 3.81Å; R33-W50 HydrophobicContact CG-CB 4.13Å; R33-W50 HydrophobicContact CG-CD2 3.77Å; R33-W50 HydrophobicContact CG-CE3 3.74Å; R33-W50 HydrophobicContact CG-CG 3.95Å; R33-W50 HydrophobicContact CG-CZ3 4.47Å
34E96.8Very high97.1Very high75 Ų7539.9 Ų39.935%0.3518%0.181SC..Iπ-helixtrans-79-22.9-172-67.6175-167.500113.5T30 H141T30-E34 WeakPolarHBondContact CG2-OE1 3.22Å; T30-E34 WeakPolarHBondContact O-CB 3.35Å; T30-E34 WeakPolarHBondContact O-CG 3.35Å; T30-E34 PolarHBondContact O-N 2.84Å; E34-H141 IonicContact OE2-NE2 3.98Å; E34-H141 PolarHBondContact OE2-NE2 2.86Å
35G96.1Very high97Very high1 Ų139.7 Ų39.71%0.0118%0.181CC..Iπ-helixtrans-100.9-86.8173.400000111L31 V37 Y38 E39L31-G35 WeakPolarHBondContact O-CA 3.49Å; L31-G35 PolarHBondContact O-N 2.89Å; G35-V37 PolarHBondContact O-N 3.15Å; G35-Y38 PolarHBondContact O-N 2.87Å; G35-E39 WeakPolarHBondContact O-CA 3.49Å; G35-E39 WeakPolarHBondContact O-CB 3.47Å; G35-E39 WeakPolarHBondContact O-CG 3.37Å; G35-E39 PolarHBondContact O-N 3.38Å
36F96.6Very high96.9Very high33 Ų3337.3 Ų37.315%0.14517%0.174CC..Iπ-helixtrans-60.3-49.3-164.7-168.6-105.2000114.3L32 Y38 E40 N43 Y57 T137 C139L32-F36 HydrophobicContact CD2-CB 4.27Å; L32-F36 CarbonylContact O-C 3.59Å; L32-F36 WeakPolarHBondContact O-CA 3.49Å; L32-F36 PolarHBondContact O-N 3.05Å; F36-Y38 PolarHBondContact O-N 3.28Å; F36-E40 HydrophobicContact CD2-CB 4.1Å; F36-E40 HydrophobicContact CD2-CG 4.01Å; F36-E40 HydrophobicContact CE2-CB 4.1Å; F36-E40 HydrophobicContact CE2-CG 3.53Å; F36-E40 HydrophobicContact CG-CB 4.43Å; F36-E40 HydrophobicContact CZ-CB 4.43Å; F36-E40 HydrophobicContact CZ-CG 3.84Å; F36-E40 WeakPolarHBondContact O-CB 3.29Å; F36-E40 PolarHBondContact O-N 2.96Å; F36-N43 PolarHBondContact O-ND2 3.36Å; F36-N43 VanDerWaalsContact O-ND2 3.15Å; F36-Y57 HydrophobicContact CD1-CE1 4.2Å; F36-Y57 AromaticContact CD1-CZ 3.91Å; F36-Y57 WeakPolarHBondContact CD1-OH 3.39Å; F36-Y57 HydrophobicContact CE1-CE1 4.45Å; F36-Y57 WeakPolarHBondContact CE1-OH 3.36Å; F36-T137 HydrophobicContact CB-CG2 4.33Å; F36-T137 HydrophobicContact CD1-CG2 3.81Å; F36-T137 HydrophobicContact CD2-CG2 3.71Å; F36-T137 HydrophobicContact CE1-CG2 3.95Å; F36-T137 HydrophobicContact CE2-CG2 3.85Å; F36-T137 HydrophobicContact CG-CG2 3.68Å; F36-T137 HydrophobicContact CZ-CG2 3.97Å; F36-C139 HydrophobicContact CB-CB 4.09Å; F36-C139 PolarHBondContact N-SG 2.91Å
37V96.7Very high96.8Very high1 Ų138.2 Ų38.21%0.00618%0.182CC..Iπ-helixtrans-61.7-47.1-176.7176.40000111L32 G35 N43 L48 W50 Y57L32-V37 PolarHBondContact O-N 3.17Å; G35-V37 PolarHBondContact O-N 3.15Å; V37-N43 WeakPolarHBondContact O-CB 3.38Å; V37-L48 HydrophobicContact CG1-CD2 4.43Å; V37-W50 HydrophobicContact CG2-CE3 4.02Å; V37-W50 HydrophobicContact CG2-CZ3 4.08Å; V37-Y57 HydrophobicContact CG2-CD2 3.97Å; V37-Y57 HydrophobicContact CG2-CE2 3.45Å; V37-Y57 VanDerWaalsContact CG2-CE2 3.45Å
38Y95.3Very high96.8Very high105 Ų10535.2 Ų35.241%0.41217%0.168SC..Hα-helixtrans-89.9-16.5-175.8-63.7-37.9000115.2R33 G35 F36 K44 W50R33-Y38 HydrophobicContact CG-CD2 4.47Å; R33-Y38 HydrophobicContact CG-CE2 3.8Å; R33-Y38 WeakPolarHBondContact O-CD2 3.27Å; G35-Y38 PolarHBondContact O-N 2.87Å; F36-Y38 PolarHBondContact O-N 3.28Å; Y38-K44 WeakPolarHBondContact O-CE 3.42Å; Y38-W50 WeakPolarHBondContact OH-CB 3.41Å
39E94.6Very high96.8Very high74 Ų7438 Ų3835%0.34619%0.185SC..Hα-helixtrans-108-20.7-177.5-62.2-60.2150.800115G35 K44 P142G35-E39 WeakPolarHBondContact O-CA 3.49Å; G35-E39 WeakPolarHBondContact O-CB 3.47Å; G35-E39 WeakPolarHBondContact O-CG 3.37Å; G35-E39 PolarHBondContact O-N 3.38Å; E39-K44 IonicContact OE2-NZ 3.92Å; E39-K44 PolarHBondContact OE2-NZ 3.09Å; E39-P142 HydrophobicContact CG-CG 3.73Å
40E95.9Very high96.7Very high8 Ų838.9 Ų38.94%0.03719%0.188CC..SBendtrans-69.4130.2-178.1-158.7-69.8144.100110.9F36 L42 N43 K44 S174F36-E40 HydrophobicContact CD2-CB 4.1Å; F36-E40 HydrophobicContact CD2-CG 4.01Å; F36-E40 HydrophobicContact CE2-CB 4.1Å; F36-E40 HydrophobicContact CE2-CG 3.53Å; F36-E40 HydrophobicContact CG-CB 4.43Å; F36-E40 HydrophobicContact CZ-CB 4.43Å; F36-E40 HydrophobicContact CZ-CG 3.84Å; F36-E40 WeakPolarHBondContact O-CB 3.29Å; F36-E40 PolarHBondContact O-N 2.96Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 2.83Å; E40-L42 VanDerWaalsContact OE2-CA 3.31Å; E40-L42 WeakPolarHBondContact OE2-CA 3.41Å; E40-L42 VanDerWaalsContact OE2-CB 3.27Å; E40-L42 WeakPolarHBondContact OE2-CB 3.41Å; E40-L42 PolarHBondContact OE2-N 2.7Å; E40-N43 HydrophobicContact CB-CB 4.28Å; E40-N43 PolarHBondContact O-N 3.32Å; E40-N43 PolarHBondContact OE2-N 3.24Å; E40-K44 PolarHBondContact O-N 2.74Å; E40-S174 WeakPolarHBondContact OE1-CB 3.35Å; E40-S174 PolarHBondContact OE1-OG 3.44Å
41P95.7Very high96.7Very high19 Ų1943.4 Ų43.412%0.12321%0.205CC..Hα-helixtrans-57.3-35.7-171.9-30.536.1000116.4A45 N175P41-A45 WeakPolarHBondContact O-CB 3.15Å; P41-A45 PolarHBondContact O-N 2.81Å; P41-N175 HydrophobicContact CG-CB 4.43Å
42L96.9Very high96.6Very high0 Ų045.3 Ų45.30%022%0.215CC..Hα-helixtrans-78.8-38.2-178.2-52.7-148.9000110.4E40 K44 A45 I46 M111 L114 L195 F206 T209E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 2.83Å; E40-L42 VanDerWaalsContact OE2-CA 3.31Å; E40-L42 WeakPolarHBondContact OE2-CA 3.41Å; E40-L42 VanDerWaalsContact OE2-CB 3.27Å; E40-L42 WeakPolarHBondContact OE2-CB 3.41Å; E40-L42 PolarHBondContact OE2-N 2.7Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.45Å; L42-A45 PolarHBondContact O-N 3.13Å; L42-A45 VanDerWaalsContact O-N 3.17Å; L42-I46 PolarHBondContact O-N 3.22Å; L42-M111 HydrophobicContact CB-CE 3.79Å; L42-L114 HydrophobicContact CD1-CD2 3.85Å; L42-L195 HydrophobicContact CD1-CD2 3.93Å; L42-L195 HydrophobicContact CD2-CD1 3.6Å; L42-L195 HydrophobicContact CD2-CD2 4.21Å; L42-F206 HydrophobicContact CB-CD1 3.83Å; L42-F206 HydrophobicContact CB-CE1 3.75Å; L42-F206 HydrophobicContact CB-CZ 4.48Å; L42-F206 HydrophobicContact CD1-CD1 4.32Å; L42-F206 HydrophobicContact CD1-CD2 4.46Å; L42-F206 HydrophobicContact CD1-CE1 4.08Å; L42-F206 HydrophobicContact CD1-CE2 4.23Å; L42-F206 HydrophobicContact CD1-CG 4.5Å; L42-F206 HydrophobicContact CD1-CZ 4.01Å; L42-F206 HydrophobicContact CD2-CD1 4.5Å; L42-F206 HydrophobicContact CG-CD1 4.43Å; L42-F206 HydrophobicContact CG-CE1 4.46Å; L42-T209 HydrophobicContact CD2-CG2 3.56Å
43N96.8Very high96.5Very high5 Ų545.3 Ų45.33%0.02722%0.216CC..Hα-helixtrans-58.1-45.2171.1-67.8-18.4000111.1F36 V37 E40 A45 I46 N47 L48F36-N43 PolarHBondContact O-ND2 3.36Å; F36-N43 VanDerWaalsContact O-ND2 3.15Å; V37-N43 WeakPolarHBondContact O-CB 3.38Å; E40-N43 HydrophobicContact CB-CB 4.28Å; E40-N43 PolarHBondContact O-N 3.32Å; E40-N43 PolarHBondContact OE2-N 3.24Å; N43-A45 PolarHBondContact O-N 2.93Å; N43-I46 WeakPolarHBondContact O-CG1 3.46Å; N43-I46 PolarHBondContact O-N 3.2Å; N43-N47 PolarHBondContact O-N 2.87Å; N43-L48 HydrophobicContact CB-CB 4.02Å; N43-L48 HydrophobicContact CB-CD2 4.12Å; N43-L48 PolarHBondContact O-N 3.44Å; N43-L48 WeakPolarHBondContact OD1-CD2 3.39Å
44K96.2Very high96.5Very high98 Ų9844.2 Ų44.243%0.42621%0.214SC..Hα-helixtrans-58.9-45.8172.7-75.1-178.1178168.30112.2Y38 E39 E40 L42 I46 N47Y38-K44 WeakPolarHBondContact O-CE 3.42Å; E39-K44 IonicContact OE2-NZ 3.92Å; E39-K44 PolarHBondContact OE2-NZ 3.09Å; E40-K44 PolarHBondContact O-N 2.74Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.45Å; K44-I46 PolarHBondContact O-N 3.48Å; K44-N47 PolarHBondContact O-N 2.86Å
45A95.9Very high96.4Very high10 Ų1045.7 Ų45.78%0.08322%0.224CC..Hα-helixtrans-63.2-27.3-175.800000113.5P41 L42 N43 F206 T209P41-A45 WeakPolarHBondContact O-CB 3.15Å; P41-A45 PolarHBondContact O-N 2.81Å; L42-A45 PolarHBondContact O-N 3.13Å; L42-A45 VanDerWaalsContact O-N 3.17Å; N43-A45 PolarHBondContact O-N 2.93Å; A45-F206 HydrophobicContact CB-CB 3.91Å; A45-F206 HydrophobicContact CB-CD1 4.12Å; A45-T209 HydrophobicContact CB-CG2 3.97Å
46I95.7Very high96.4Very high25 Ų2546.8 Ų46.813%0.12823%0.228CC..THydrogen-bonded Turntrans-101.37.317669.7178.8000113.7L42 N43 K44 L48 K107 M111 M205 F206L42-I46 PolarHBondContact O-N 3.22Å; N43-I46 WeakPolarHBondContact O-CG1 3.46Å; N43-I46 PolarHBondContact O-N 3.2Å; K44-I46 PolarHBondContact O-N 3.48Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 HydrophobicContact CD1-CB 4.28Å; I46-L48 HydrophobicContact CD1-CD1 4.38Å; I46-L48 HydrophobicContact CG1-CB 3.99Å; I46-L48 PolarHBondContact O-N 3.39Å; I46-K107 HydrophobicContact CD1-CB 4.09Å; I46-K107 WeakPolarHBondContact O-CE 3.23Å; I46-M111 HydrophobicContact CD1-CE 3.93Å; I46-M205 HydrophobicContact CG2-CE 4.32Å; I46-M205 HydrophobicContact CG2-CG 4.34Å; I46-M205 WeakPolarHBondContact CG2-O 3.18Å; I46-F206 HydrophobicContact CG2-CD1 3.64Å; I46-F206 HydrophobicContact CG2-CE1 3.63Å
47N95.8Very high96.4Very high124 Ų12445.6 Ų45.666%0.66322%0.223SC*.THydrogen-bonded Turntrans49.747.4-173.1-58.2-59.7000112.2N43 K44 T49 K107N43-N47 PolarHBondContact O-N 2.87Å; K44-N47 PolarHBondContact O-N 2.86Å; N47-T49 PolarHBondContact O-N 2.97Å; N47-K107 PolarHBondContact O-NZ 3.14Å
48L97.3Very high96.3Very high8 Ų848.3 Ų48.34%0.04224%0.235CC..  trans-65.7124.5177.4-169.671.5000109.6V37 N43 I46 D52 C53 K107 I108V37-L48 HydrophobicContact CG1-CD2 4.43Å; N43-L48 HydrophobicContact CB-CB 4.02Å; N43-L48 HydrophobicContact CB-CD2 4.12Å; N43-L48 PolarHBondContact O-N 3.44Å; N43-L48 WeakPolarHBondContact OD1-CD2 3.39Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 HydrophobicContact CD1-CB 4.28Å; I46-L48 HydrophobicContact CD1-CD1 4.38Å; I46-L48 HydrophobicContact CG1-CB 3.99Å; I46-L48 PolarHBondContact O-N 3.39Å; L48-D52 HydrophobicContact CD1-CB 3.66Å; L48-D52 HydrophobicContact CG-CB 4.48Å; L48-C53 HydrophobicContact CD1-CB 4.31Å; L48-C53 HydrophobicContact CD2-CB 4.13Å; L48-C53 HydrophobicContact CG-CB 4.33Å; L48-K107 HydrophobicContact CD1-CB 3.81Å; L48-K107 HydrophobicContact CD1-CD 4Å; L48-I108 HydrophobicContact CD1-CD1 4.12Å; L48-I108 HydrophobicContact CD1-CG1 4.38Å; L48-I108 HydrophobicContact CD2-CD1 4.2Å
49T97.8Very high96.3Very high60 Ų6045.2 Ų45.237%0.36823%0.226SC..  trans-102161.7175.568.60000110.7N47 Q51 D52 C53N47-T49 PolarHBondContact O-N 2.97Å; T49-Q51 PolarHBondContact O-N 3.46Å; T49-D52 PolarHBondContact N-OD2 2.96Å; T49-D52 WeakPolarHBondContact O-CB 3.49Å; T49-D52 PolarHBondContact O-N 2.77Å; T49-D52 VanDerWaalsContact O-N 3.08Å; T49-D52 PolarHBondContact OG1-N 2.96Å; T49-D52 PolarHBondContact OG1-OD2 2.82Å; T49-C53 PolarHBondContact O-SG 2.9Å
50W97.7Very high96.3Very high26 Ų2642.3 Ų42.310%0.09821%0.212CC..Hα-helixtrans-56.1-40.4173-175.6-109.9000112.2L29 R33 V37 Y38 D52 C53 E54 Y57L29-W50 HydrophobicContact CB-CH2 4.19Å; L29-W50 HydrophobicContact CB-CZ2 4.32Å; L29-W50 HydrophobicContact CD2-CH2 3.9Å; L29-W50 HydrophobicContact CD2-CZ2 4.28Å; R33-W50 HydrophobicContact CB-CD2 3.97Å; R33-W50 HydrophobicContact CB-CE3 3.58Å; R33-W50 HydrophobicContact CB-CH2 4.38Å; R33-W50 HydrophobicContact CB-CZ3 3.81Å; R33-W50 HydrophobicContact CG-CB 4.13Å; R33-W50 HydrophobicContact CG-CD2 3.77Å; R33-W50 HydrophobicContact CG-CE3 3.74Å; R33-W50 HydrophobicContact CG-CG 3.95Å; R33-W50 HydrophobicContact CG-CZ3 4.47Å; V37-W50 HydrophobicContact CG2-CE3 4.02Å; V37-W50 HydrophobicContact CG2-CZ3 4.08Å; Y38-W50 WeakPolarHBondContact OH-CB 3.41Å; W50-D52 PolarHBondContact O-N 3.27Å; W50-C53 CarbonylContact O-C 3.57Å; W50-C53 PolarHBondContact O-N 3.47Å; W50-E54 HydrophobicContact CD2-CB 4.38Å; W50-E54 HydrophobicContact CZ2-CB 4.22Å; W50-E54 HydrophobicContact CZ2-CG 3.91Å; W50-E54 PolarHBondContact NE1-OE1 2.88Å; W50-E54 WeakPolarHBondContact O-CA 3.49Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 2.92Å; W50-Y57 AromaticContact CZ3-CD2 3.97Å; W50-Y57 HydrophobicContact CZ3-CD2 3.97Å; W50-Y57 HydrophobicContact CZ3-CG 4.37Å
51Q97.3Very high96.3Very high150 Ų15041.9 Ų41.970%0.70121%0.211SC*.Hα-helixtrans-61.2-30.5178.4-172.461.267.700113T49 C53T49-Q51 PolarHBondContact O-N 3.46Å; Q51-C53 VanDerWaalsContact C-N 3.29Å; Q51-C53 PolarHBondContact O-N 3.29Å
52D97Very high96.3Very high43 Ų4348.3 Ų48.323%0.2323%0.232CC..Hα-helixtrans-72.2-23.2178.1-64.3-48000112.5L48 T49 W50 S105 K107L48-D52 HydrophobicContact CD1-CB 3.66Å; L48-D52 HydrophobicContact CG-CB 4.48Å; T49-D52 PolarHBondContact N-OD2 2.96Å; T49-D52 WeakPolarHBondContact O-CB 3.49Å; T49-D52 PolarHBondContact O-N 2.77Å; T49-D52 VanDerWaalsContact O-N 3.08Å; T49-D52 PolarHBondContact OG1-N 2.96Å; T49-D52 PolarHBondContact OG1-OD2 2.82Å; W50-D52 PolarHBondContact O-N 3.27Å; D52-S105 VanDerWaalsContact O-CB 3.28Å; D52-S105 WeakPolarHBondContact O-CB 2.77Å; D52-S105 PolarHBondContact O-OG 3.02Å; D52-K107 HydrophobicContact CB-CD 4.47Å; D52-K107 IonicContact OD1-NZ 3.22Å; D52-K107 IonicContact OD2-NZ 3.82Å; D52-K107 PolarHBondContact OD2-NZ 3.1Å
53C96.5Very high96.2Very high1 Ų152 Ų521%0.00725%0.25CC..Hα-helixtrans-132.60.9-165.768.70000115.3L48 T49 W50 Q51 D55 Y56 Y57 I108L48-C53 HydrophobicContact CD1-CB 4.31Å; L48-C53 HydrophobicContact CD2-CB 4.13Å; L48-C53 HydrophobicContact CG-CB 4.33Å; T49-C53 PolarHBondContact O-SG 2.9Å; W50-C53 CarbonylContact O-C 3.57Å; W50-C53 PolarHBondContact O-N 3.47Å; Q51-C53 VanDerWaalsContact C-N 3.29Å; Q51-C53 PolarHBondContact O-N 3.29Å; C53-D55 PolarHBondContact O-N 2.82Å; C53-Y56 WeakPolarHBondContact O-CB 3.27Å; C53-Y56 PolarHBondContact O-N 3.08Å; C53-Y57 HydrophobicContact CB-CD2 3.89Å; C53-Y57 HydrophobicContact CB-CE2 3.77Å; C53-Y57 VanDerWaalsContact O-CD2 3.3Å; C53-Y57 WeakPolarHBondContact O-CD2 3.22Å; C53-Y57 PolarHBondContact O-N 2.87Å; C53-Y57 VanDerWaalsContact SG-CE2 3.59Å; C53-I108 HydrophobicContact CB-CD1 3.6Å; C53-I108 HydrophobicContact CB-CG1 3.98Å
54E96.9Very high96Very high62 Ų6251.8 Ų51.829%0.2925%0.249SC..Hα-helixtrans-57.1-53.2-175.3176.4160.8-134.400111.5W50 Y56 Y57 Q58W50-E54 HydrophobicContact CD2-CB 4.38Å; W50-E54 HydrophobicContact CZ2-CB 4.22Å; W50-E54 HydrophobicContact CZ2-CG 3.91Å; W50-E54 PolarHBondContact NE1-OE1 2.88Å; W50-E54 WeakPolarHBondContact O-CA 3.49Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 2.92Å; E54-Y56 VanDerWaalsContact C-N 3.26Å; E54-Y56 PolarHBondContact O-N 3.42Å; E54-Y57 PolarHBondContact O-N 2.84Å; E54-Y57 VanDerWaalsContact O-N 3.14Å; E54-Q58 HydrophobicContact CG-CG 4.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.49Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 2.7Å
55D95.5Very high96Very high106 Ų10648.3 Ų48.357%0.56723%0.234SC*.Hα-helixtrans-58.6-39.5179-67.2-24.5000111.9C53 Q58 D59 Y104C53-D55 PolarHBondContact O-N 2.82Å; D55-Q58 PolarHBondContact O-N 2.9Å; D55-D59 PolarHBondContact O-N 2.93Å; D55-Y104 HydrophobicContact CB-CE1 4.37Å
56Y95.8Very high95.9Very high24 Ų2452.5 Ų52.59%0.09426%0.263CS..Hα-helixtrans-60.6-49.9175.7173.9-94.3000111.6C53 E54 D59 Q60 Y104 I108C53-Y56 WeakPolarHBondContact O-CB 3.27Å; C53-Y56 PolarHBondContact O-N 3.08Å; E54-Y56 VanDerWaalsContact C-N 3.26Å; E54-Y56 PolarHBondContact O-N 3.42Å; Y56-D59 PolarHBondContact O-N 2.91Å; Y56-Q60 HydrophobicContact CD1-CG 4.2Å; Y56-Q60 HydrophobicContact CE1-CG 3.79Å; Y56-Q60 HydrophobicContact CE2-CG 4.23Å; Y56-Q60 VanDerWaalsContact O-CG 3.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.19Å; Y56-Q60 PolarHBondContact O-N 3.25Å; Y56-Y104 HydrophobicContact CD2-CD2 4.05Å; Y56-Y104 AromaticContact CD2-CE2 3.76Å; Y56-Y104 HydrophobicContact CD2-CE2 3.76Å; Y56-I108 HydrophobicContact CD1-CD1 4.3Å; Y56-I108 HydrophobicContact CD2-CG2 3.67Å; Y56-I108 HydrophobicContact CE2-CG2 4.2Å; Y56-I108 HydrophobicContact CG-CD1 4.37Å; Y56-I108 HydrophobicContact CG-CG2 3.95Å
57Y96.3Very high95.8Very high8 Ų853.4 Ų53.43%0.03127%0.268CS..Hα-helixtrans-73-28.7179.8-73.8-67.4000113.2L32 F36 V37 W50 C53 E54 D59 Q60 V61L32-Y57 HydrophobicContact CD1-CD1 3.97Å; L32-Y57 HydrophobicContact CD1-CG 4.41Å; L32-Y57 HydrophobicContact CD2-CD1 4.5Å; F36-Y57 HydrophobicContact CD1-CE1 4.2Å; F36-Y57 AromaticContact CD1-CZ 3.91Å; F36-Y57 WeakPolarHBondContact CD1-OH 3.39Å; F36-Y57 HydrophobicContact CE1-CE1 4.45Å; F36-Y57 WeakPolarHBondContact CE1-OH 3.36Å; V37-Y57 HydrophobicContact CG2-CD2 3.97Å; V37-Y57 HydrophobicContact CG2-CE2 3.45Å; V37-Y57 VanDerWaalsContact CG2-CE2 3.45Å; W50-Y57 AromaticContact CZ3-CD2 3.97Å; W50-Y57 HydrophobicContact CZ3-CD2 3.97Å; W50-Y57 HydrophobicContact CZ3-CG 4.37Å; C53-Y57 HydrophobicContact CB-CD2 3.89Å; C53-Y57 HydrophobicContact CB-CE2 3.77Å; C53-Y57 VanDerWaalsContact O-CD2 3.3Å; C53-Y57 WeakPolarHBondContact O-CD2 3.22Å; C53-Y57 PolarHBondContact O-N 2.87Å; C53-Y57 VanDerWaalsContact SG-CE2 3.59Å; E54-Y57 PolarHBondContact O-N 2.84Å; E54-Y57 VanDerWaalsContact O-N 3.14Å; Y57-D59 VanDerWaalsContact C-N 3.35Å; Y57-Q60 PolarHBondContact O-N 2.68Å; Y57-V61 VanDerWaalsContact O-CB 3.31Å; Y57-V61 WeakPolarHBondContact O-CB 3.49Å; Y57-V61 VanDerWaalsContact O-CG2 3.24Å; Y57-V61 WeakPolarHBondContact O-CG2 3.29Å; Y57-V61 PolarHBondContact O-N 2.83Å
58Q96.2Very high95.7Very high58 Ų5848.5 Ų48.527%0.27125%0.247SC..Hα-helixtrans-58.9-48.1169.6-72.6-79.45.700110.6L29 E54 D55 R62L29-Q58 VanDerWaalsContact CD1-CD 3.49Å; L29-Q58 HydrophobicContact CD2-CG 4.34Å; E54-Q58 HydrophobicContact CG-CG 4.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.49Å; E54-Q58 WeakPolarHBondContact O-CG 3.43Å; E54-Q58 PolarHBondContact O-N 2.7Å; D55-Q58 PolarHBondContact O-N 2.9Å; Q58-R62 VanDerWaalsContact O-CB 3.28Å; Q58-R62 WeakPolarHBondContact O-CB 3.49Å; Q58-R62 PolarHBondContact O-N 3.48Å
59D94.9Very high95.7Very high41 Ų4148.1 Ų48.122%0.21925%0.245CC..Hα-helixtrans-64.4-46.8177.6-71.6-25.8000111.8D55 Y56 Y57 V61 R62 E63 Y104D55-D59 PolarHBondContact O-N 2.93Å; Y56-D59 PolarHBondContact O-N 2.91Å; Y57-D59 VanDerWaalsContact C-N 3.35Å; D59-V61 PolarHBondContact O-N 3.3Å; D59-R62 PolarHBondContact O-N 3.22Å; D59-R62 IonicContact OD1-CZ 3.49Å; D59-R62 IonicContact OD1-NH1 3.89Å; D59-R62 PolarHBondContact OD1-NH1 3.12Å; D59-R62 IonicContact OD1-NH2 2.8Å; D59-R62 PolarHBondContact OD1-NH2 3.14Å; D59-E63 WeakPolarHBondContact O-CB 3.39Å; D59-E63 PolarHBondContact O-N 3.06Å; D59-Y104 PolarHBondContact OD2-OH 3.33Å
60Q94.1Very high95.7Very high12 Ų1245.3 Ų45.36%0.05623%0.227CC..Hα-helixtrans-59.5-47.1177.6-71-61.2-48.100111.8Y56 Y57 E63 C64 L86Y56-Q60 HydrophobicContact CD1-CG 4.2Å; Y56-Q60 HydrophobicContact CE1-CG 3.79Å; Y56-Q60 HydrophobicContact CE2-CG 4.23Å; Y56-Q60 VanDerWaalsContact O-CG 3.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.19Å; Y56-Q60 PolarHBondContact O-N 3.25Å; Y57-Q60 PolarHBondContact O-N 2.68Å; Q60-E63 PolarHBondContact O-N 2.83Å; Q60-C64 WeakPolarHBondContact O-CB 3.32Å; Q60-C64 PolarHBondContact O-N 2.8Å; Q60-C64 PolarHBondContact O-SG 3.03Å; Q60-L86 HydrophobicContact CB-CD1 4.49Å
61V96.5Very high95.7Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-64.5-42.6179169.70000110.9R25 L28 L29 L32 Y57 D59 C64 I65 L86R25-V61 HydrophobicContact CB-CG1 4.46Å; R25-V61 HydrophobicContact CG-CG1 3.92Å; L28-V61 HydrophobicContact CB-CG1 4.3Å; L28-V61 HydrophobicContact CB-CG2 4.39Å; L28-V61 HydrophobicContact CD1-CG1 4.31Å; L29-V61 HydrophobicContact CD2-CB 4.35Å; L29-V61 HydrophobicContact CD2-CG2 3.94Å; L29-V61 HydrophobicContact CG-CG2 4.41Å; L32-V61 HydrophobicContact CD1-CG2 3.55Å; Y57-V61 VanDerWaalsContact O-CB 3.31Å; Y57-V61 WeakPolarHBondContact O-CB 3.49Å; Y57-V61 VanDerWaalsContact O-CG2 3.24Å; Y57-V61 WeakPolarHBondContact O-CG2 3.29Å; Y57-V61 PolarHBondContact O-N 2.83Å; D59-V61 PolarHBondContact O-N 3.3Å; V61-C64 PolarHBondContact O-N 3.16Å; V61-I65 HydrophobicContact CG1-CD1 3.6Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CB 3.45Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.21Å; V61-I65 PolarHBondContact O-N 3.39Å; V61-L86 HydrophobicContact CG2-CD1 4.34Å
62R95.5Very high95.8Very high154 Ų15436.9 Ų36.958%0.58119%0.189SC*.Hα-helixtrans-60.4-47.1176.6-177.1-177.466.4-140.9-6.6111.5Q58 D59 S66Q58-R62 VanDerWaalsContact O-CB 3.28Å; Q58-R62 WeakPolarHBondContact O-CB 3.49Å; Q58-R62 PolarHBondContact O-N 3.48Å; D59-R62 PolarHBondContact O-N 3.22Å; D59-R62 IonicContact OD1-CZ 3.49Å; D59-R62 IonicContact OD1-NH1 3.89Å; D59-R62 PolarHBondContact OD1-NH1 3.12Å; D59-R62 IonicContact OD1-NH2 2.8Å; D59-R62 PolarHBondContact OD1-NH2 3.14Å; R62-S66 WeakPolarHBondContact O-CB 3.19Å; R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.34Å; R62-S66 VanDerWaalsContact O-OG 3.04Å
63E93.4Very high95.8Very high77 Ų7734.9 Ų34.936%0.3618%0.178SC..Hα-helixtrans-62-47.6177.1-171-175.8162.500110.8D59 Q60 I65 S66 N67D59-E63 WeakPolarHBondContact O-CB 3.39Å; D59-E63 PolarHBondContact O-N 3.06Å; Q60-E63 PolarHBondContact O-N 2.83Å; E63-I65 PolarHBondContact O-N 3.13Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 2.73Å; E63-S66 PolarHBondContact O-OG 3.03Å; E63-N67 WeakPolarHBondContact O-CB 3.35Å; E63-N67 PolarHBondContact O-N 2.99Å; E63-N67 PolarHBondContact O-ND2 3.47Å
64C93.3Very high95.9Very high1 Ų136.2 Ų36.21%0.00718%0.183CC..Hα-helixtrans-62.1-37.2-179.3-78.50000114.3Q60 V61 N67 G68 S70 L86 N87Q60-C64 WeakPolarHBondContact O-CB 3.32Å; Q60-C64 PolarHBondContact O-N 2.8Å; Q60-C64 PolarHBondContact O-SG 3.03Å; V61-C64 PolarHBondContact O-N 3.16Å; C64-N67 PolarHBondContact O-OD1 3.21Å; C64-G68 PolarHBondContact O-N 3.14Å; C64-S70 WeakPolarHBondContact CB-OG 3.5Å; C64-S70 PolarHBondContact SG-OG 3.45Å; C64-L86 HydrophobicContact CB-CD2 4.19Å; C64-N87 PolarHBondContact SG-O 3.21Å; C64-N87 VanDerWaalsContact SG-O 3.35Å
65I95.5Very high95.9Very high25 Ų2534.7 Ų34.713%0.12818%0.176CC..Hα-helixtrans-72.5-46174.6-70.5169.9000109.8P20 R25 L28 V61 E63 N67 G68P20-I65 HydrophobicContact CB-CG1 4.36Å; P20-I65 HydrophobicContact CG-CG1 4.32Å; R25-I65 HydrophobicContact CB-CD1 4.04Å; L28-I65 HydrophobicContact CD1-CD1 4.34Å; V61-I65 HydrophobicContact CG1-CD1 3.6Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CB 3.45Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.21Å; V61-I65 PolarHBondContact O-N 3.39Å; E63-I65 PolarHBondContact O-N 3.13Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 3.44Å; I65-G68 PolarHBondContact O-N 2.93Å
66S94.8Very high95.8Very high97 Ų9732.7 Ų32.768%0.67817%0.168SC*.Hα-helixtrans-66.1-34.2-177.465.30000112.9R62 E63R62-S66 WeakPolarHBondContact O-CB 3.19Å; R62-S66 PolarHBondContact O-N 3.49Å; R62-S66 PolarHBondContact O-OG 3.34Å; R62-S66 VanDerWaalsContact O-OG 3.04Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 2.73Å; E63-S66 PolarHBondContact O-OG 3.03Å
67N93.2Very high95.5Very high44 Ų4436.2 Ų36.224%0.23519%0.192CC..THydrogen-bonded Turntrans-81-14.2177.177.125.7000112.9E63 C64 I65 T69 N87 W164E63-N67 WeakPolarHBondContact O-CB 3.35Å; E63-N67 PolarHBondContact O-N 2.99Å; E63-N67 PolarHBondContact O-ND2 3.47Å; C64-N67 PolarHBondContact O-OD1 3.21Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 3.44Å; N67-T69 HydrophobicContact CB-CG2 4.44Å; N67-T69 PolarHBondContact ND2-OG1 2.93Å; N67-T69 PolarHBondContact O-N 2.83Å; N67-T69 VanDerWaalsContact OD1-CB 3.32Å; N67-T69 WeakPolarHBondContact OD1-CB 3.44Å; N67-T69 WeakPolarHBondContact OD1-CG2 3.33Å; N67-T69 PolarHBondContact OD1-N 3.47Å; N67-T69 PolarHBondContact OD1-OG1 3.05Å; N67-N87 PolarHBondContact ND2-O 2.73Å; N67-W164 WeakPolarHBondContact O-CH2 3.13Å
68G94.6Very high95.3Very high21 Ų2141.1 Ų41.122%0.21622%0.219CC..THydrogen-bonded Turntrans65.313.6177.500000115.9Q19 C64 I65Q19-G68 PolarHBondContact NE2-O 3.42Å; C64-G68 PolarHBondContact O-N 3.14Å; I65-G68 PolarHBondContact O-N 2.93Å
69T95.9Very high95.2Very high1 Ų141.6 Ų41.61%0.00623%0.229CC..  trans-84.7-23.4-17859.20000113.4N67 N87 I89 F133 L160 W164N67-T69 HydrophobicContact CB-CG2 4.44Å; N67-T69 PolarHBondContact ND2-OG1 2.93Å; N67-T69 PolarHBondContact O-N 2.83Å; N67-T69 VanDerWaalsContact OD1-CB 3.32Å; N67-T69 WeakPolarHBondContact OD1-CB 3.44Å; N67-T69 WeakPolarHBondContact OD1-CG2 3.33Å; N67-T69 PolarHBondContact OD1-N 3.47Å; N67-T69 PolarHBondContact OD1-OG1 3.05Å; T69-N87 PolarHBondContact O-ND2 2.78Å; T69-N87 WeakPolarHBondContact OG1-CB 3.49Å; T69-N87 PolarHBondContact OG1-O 2.88Å; T69-I89 HydrophobicContact CG2-CD1 4.42Å; T69-I89 HydrophobicContact CG2-CG1 4.13Å; T69-F133 HydrophobicContact CG2-CE2 4.03Å; T69-F133 WeakPolarHBondContact O-CZ 3.42Å; T69-L160 WeakPolarHBondContact O-CD1 3.37Å; T69-W164 HydrophobicContact CG2-CE3 3.61Å; T69-W164 HydrophobicContact CG2-CH2 3.91Å; T69-W164 HydrophobicContact CG2-CZ3 3.09Å
70S98Very high95.2Very high0 Ų042.7 Ų42.70%024%0.237CC..  trans-77.2158.2-166.9-69.10000112.3P20 C64 A85 L86 N87P20-S70 WeakPolarHBondContact CD-O 3.38Å; C64-S70 WeakPolarHBondContact CB-OG 3.5Å; C64-S70 PolarHBondContact SG-OG 3.45Å; S70-A85 WeakPolarHBondContact CA-O 3.38Å; S70-A85 WeakPolarHBondContact CB-O 3.48Å; S70-L86 WeakPolarHBondContact OG-CA 3.14Å; S70-N87 PolarHBondContact OG-N 3.48Å
71V98.7Very high95.4Very high0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-123.6138.8-178.3178.40000109.3V17 E18 C84 A85 A153 K156 L160V17-V71 HydrophobicContact CG1-CG1 3.49Å; V17-V71 VanDerWaalsContact CG1-CG1 3.49Å; E18-V71 WeakPolarHBondContact O-CA 3.36Å; V71-C84 CarbonylContact O-C 3.58Å; V71-C84 WeakPolarHBondContact O-CA 3.37Å; V71-C84 WeakPolarHBondContact O-CB 3.44Å; V71-A85 HydrophobicContact CB-CB 4.4Å; V71-A85 PolarHBondContact N-O 3.25Å; V71-A85 PolarHBondContact O-N 2.89Å; V71-A153 HydrophobicContact CG1-CB 4.32Å; V71-K156 HydrophobicContact CB-CG 4.4Å; V71-K156 HydrophobicContact CG1-CB 3.89Å; V71-K156 HydrophobicContact CG1-CG 3.79Å; V71-K156 HydrophobicContact CG2-CB 4.06Å; V71-K156 HydrophobicContact CG2-CG 3.63Å; V71-L160 HydrophobicContact CG2-CD1 3.61Å
72I98.7Very high95.5Very high0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7151.2170.661170.3000110.5V17 E18 P20 L28 R74 I81 A83 C84V17-I72 WeakPolarHBondContact CA-O 3.48Å; E18-I72 HydrophobicContact CG-CD1 3.8Å; E18-I72 HydrophobicContact CG-CG1 3.55Å; E18-I72 PolarHBondContact N-O 3.34Å; E18-I72 WeakPolarHBondContact O-CG1 3.45Å; E18-I72 PolarHBondContact O-N 2.94Å; P20-I72 HydrophobicContact CB-CD1 4.11Å; P20-I72 HydrophobicContact CB-CG1 4.38Å; P20-I72 HydrophobicContact CB-CG2 3.77Å; P20-I72 HydrophobicContact CG-CG2 4Å; L28-I72 HydrophobicContact CD1-CG2 4.21Å; L28-I72 HydrophobicContact CD2-CG2 3.69Å; L28-I72 HydrophobicContact CG-CG2 4.23Å; I72-R74 VanDerWaalsContact CD1-NH2 3.27Å; I72-I81 HydrophobicContact CB-CD1 4.48Å; I72-I81 HydrophobicContact CB-CG2 3.98Å; I72-I81 HydrophobicContact CD1-CD1 3.65Å; I72-I81 HydrophobicContact CD1-CG1 4.03Å; I72-I81 HydrophobicContact CG2-CD1 4.34Å; I72-I81 HydrophobicContact CG2-CG2 4.13Å; I72-A83 WeakPolarHBondContact CA-O 3.43Å; I72-C84 HydrophobicContact CG2-CB 4.14Å
73V98.4Very high95.6Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-116.3119.7169.2-170.80000107.6F15 T16 V17 V82 A83 L149 A153F15-V73 HydrophobicContact CB-CG1 3.72Å; F15-V73 HydrophobicContact CD1-CG1 4.24Å; F15-V73 HydrophobicContact CG-CG1 4.22Å; T16-V73 CarbonylContact O-C 3.57Å; T16-V73 VanDerWaalsContact O-CA 3.27Å; T16-V73 WeakPolarHBondContact O-CA 3.24Å; V17-V73 HydrophobicContact CG1-CG2 4.46Å; V17-V73 HydrophobicContact CG2-CG1 4.42Å; V17-V73 HydrophobicContact CG2-CG2 4.3Å; V73-V82 HydrophobicContact CG1-CG2 4.48Å; V73-V82 VanDerWaalsContact O-CG2 3.31Å; V73-V82 WeakPolarHBondContact O-CG2 3.43Å; V73-V82 PolarHBondContact O-N 3.13Å; V73-A83 HydrophobicContact CB-CB 3.96Å; V73-A83 HydrophobicContact CG2-CB 4.02Å; V73-A83 PolarHBondContact N-O 2.79Å; V73-A83 PolarHBondContact O-N 2.93Å; V73-L149 HydrophobicContact CG1-CD2 3.94Å; V73-A153 HydrophobicContact CG2-CB 4.06Å
74R98Very high95.9Very high29 Ų2931.4 Ų31.411%0.10919%0.191CC..EExtended strand (participates in β ladder)trans-108.9131.6-177.2-172.8-176.3-55-78.1-3.8110F15 T16 E18 D24 I72 S79 V80F15-R74 CarbonylContact C-O 3.57Å; F15-R74 WeakPolarHBondContact CA-O 3.33Å; T16-R74 PolarHBondContact N-O 2.9Å; T16-R74 PolarHBondContact O-N 3.29Å; E18-R74 IonicContact OE1-CZ 2.74Å; E18-R74 IonicContact OE1-NE 3.96Å; E18-R74 PolarHBondContact OE1-NE 3.12Å; E18-R74 IonicContact OE1-NH2 3.16Å; E18-R74 PolarHBondContact OE1-NH2 3.16Å; D24-R74 IonicContact OD1-CZ 3.26Å; D24-R74 IonicContact OD1-NH1 3.6Å; D24-R74 IonicContact OD1-NH2 3.52Å; D24-R74 PolarHBondContact OD1-NH2 3.49Å; D24-R74 IonicContact OD2-NH2 2.65Å; I72-R74 VanDerWaalsContact CD1-NH2 3.27Å; R74-S79 PolarHBondContact NH1-O 2.88Å; R74-V80 CarbonylContact C-O 3.51Å; R74-V80 WeakPolarHBondContact CA-O 3.46Å; R74-V80 WeakPolarHBondContact CG-O 3.32Å
75E95.8Very high96.1Very high30 Ų3031.3 Ų31.314%0.1419%0.19CC..EExtended strand (participates in β ladder)trans-71.3126.4168.2-173.4-155.8-119.900109.6D14 F15 T77 N78 S79 V80 V82 F144D14-E75 CarbonylContact O-C 3.51Å; D14-E75 WeakPolarHBondContact O-CA 3.45Å; F15-E75 HydrophobicContact CD1-CB 4.11Å; F15-E75 HydrophobicContact CD1-CG 4.48Å; F15-E75 HydrophobicContact CE1-CB 3.91Å; F15-E75 HydrophobicContact CE1-CG 4.01Å; E75-T77 PolarHBondContact O-N 3.33Å; E75-N78 VanDerWaalsContact OE2-CB 3.3Å; E75-N78 WeakPolarHBondContact OE2-CB 3.31Å; E75-N78 PolarHBondContact OE2-N 3.01Å; E75-N78 PolarHBondContact OE2-ND2 2.98Å; E75-S79 WeakPolarHBondContact O-CA 3.48Å; E75-S79 PolarHBondContact O-N 2.92Å; E75-V80 PolarHBondContact N-O 3.29Å; E75-V82 HydrophobicContact CB-CG1 4.01Å; E75-V82 HydrophobicContact CB-CG2 4.47Å; E75-F144 HydrophobicContact CG-CE1 4.37Å; E75-F144 WeakPolarHBondContact OE1-CE1 3.47Å
76T93.4Very high96.3Very high64 Ų6430.2 Ų30.239%0.39318%0.184SC..THydrogen-bonded Turntrans-68.4-33.1-174.754.10000113D14 T16D14-T76 PolarHBondContact O-N 2.94Å; D14-T76 PolarHBondContact O-OG1 3.15Å; T16-T76 HydrophobicContact CG2-CG2 3.93Å
77T90.9Very high96.4Very high99 Ų9925.6 Ų25.661%0.60715%0.152SC*.THydrogen-bonded Turntrans-65.5-51.4-174.8-64.10000112.2E75E75-T77 PolarHBondContact O-N 3.33Å
78N91.7Very high96.6Very high110 Ų11024.1 Ų24.159%0.58814%0.144SC*.THydrogen-bonded Turntrans-104.70.9-178.7-56.9-63.5000113.4E75 V80E75-N78 VanDerWaalsContact OE2-CB 3.3Å; E75-N78 WeakPolarHBondContact OE2-CB 3.31Å; E75-N78 PolarHBondContact OE2-N 3.01Å; E75-N78 PolarHBondContact OE2-ND2 2.98Å; N78-V80 HydrophobicContact CB-CG2 3.85Å; N78-V80 PolarHBondContact O-N 3.3Å
79S93.7Very high96.6Very high68 Ų6825.6 Ų25.648%0.47615%0.146SC..THydrogen-bonded Turntrans56.829.6-175.7-620000114.1R74 E75R74-S79 PolarHBondContact NH1-O 2.88Å; E75-S79 WeakPolarHBondContact O-CA 3.48Å; E75-S79 PolarHBondContact O-N 2.92Å
80V95.8Very high96.6Very high65 Ų6526.9 Ų26.939%0.39416%0.157SC..EExtended strand (participates in β ladder)trans-95.1137.5-177.8178.20000110.8R74 E75 N78 V82R74-V80 CarbonylContact C-O 3.51Å; R74-V80 WeakPolarHBondContact CA-O 3.46Å; R74-V80 WeakPolarHBondContact CG-O 3.32Å; E75-V80 PolarHBondContact N-O 3.29Å; N78-V80 HydrophobicContact CB-CG2 3.85Å; N78-V80 PolarHBondContact O-N 3.3Å; V80-V82 HydrophobicContact CG1-CG1 4.45Å; V80-V82 PolarHBondContact O-N 2.69Å
81I98.1Very high96.4Very high5 Ų531.8 Ų31.83%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-72.7119.6171.8-57.2178.2000109.6D24 Q27 L28 L31 I72D24-I81 HydrophobicContact CB-CD1 3.68Å; Q27-I81 HydrophobicContact CB-CB 4.32Å; Q27-I81 HydrophobicContact CB-CD1 3.84Å; Q27-I81 HydrophobicContact CB-CG1 4.14Å; L28-I81 HydrophobicContact CD2-CG2 4.34Å; L28-I81 HydrophobicContact CG-CD1 4.12Å; L31-I81 HydrophobicContact CD2-CG2 3.86Å; I72-I81 HydrophobicContact CB-CD1 4.48Å; I72-I81 HydrophobicContact CB-CG2 3.98Å; I72-I81 HydrophobicContact CD1-CD1 3.65Å; I72-I81 HydrophobicContact CD1-CG1 4.03Å; I72-I81 HydrophobicContact CG2-CD1 4.34Å; I72-I81 HydrophobicContact CG2-CG2 4.13Å
82V97.9Very high96.2Very high0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-116.1-11.9-174-660000113.5F15 V73 E75 V80 H141 F144 L149F15-V82 HydrophobicContact CD1-CG2 3.8Å; F15-V82 HydrophobicContact CE1-CG2 3.79Å; V73-V82 HydrophobicContact CG1-CG2 4.48Å; V73-V82 VanDerWaalsContact O-CG2 3.31Å; V73-V82 WeakPolarHBondContact O-CG2 3.43Å; V73-V82 PolarHBondContact O-N 3.13Å; E75-V82 HydrophobicContact CB-CG1 4.01Å; E75-V82 HydrophobicContact CB-CG2 4.47Å; V80-V82 HydrophobicContact CG1-CG1 4.45Å; V80-V82 PolarHBondContact O-N 2.69Å; V82-H141 WeakPolarHBondContact O-CB 3.45Å; V82-H141 PolarHBondContact O-N 3.3Å; V82-F144 HydrophobicContact CB-CB 4.35Å; V82-F144 HydrophobicContact CB-CD1 4.21Å; V82-F144 HydrophobicContact CB-CD2 3.91Å; V82-F144 HydrophobicContact CB-CE2 4.22Å; V82-F144 HydrophobicContact CB-CG 3.9Å; V82-F144 HydrophobicContact CG1-CD1 4.02Å; V82-F144 HydrophobicContact CG1-CD2 3.66Å; V82-F144 HydrophobicContact CG1-CE1 3.83Å; V82-F144 HydrophobicContact CG1-CE2 3.44Å; V82-F144 VanDerWaalsContact CG1-CE2 3.44Å; V82-F144 HydrophobicContact CG1-CG 3.95Å; V82-F144 HydrophobicContact CG1-CZ 3.54Å; V82-F144 HydrophobicContact CG2-CD1 4.49Å; V82-L149 HydrophobicContact CB-CD1 4.36Å; V82-L149 HydrophobicContact CG2-CD1 3.74Å
83A98.6Very high95.8Very high0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-152.4157.7168.900000110.8L31 I72 V73 C139 V140 L149L31-A83 VanDerWaalsContact CD2-C 3.48Å; I72-A83 WeakPolarHBondContact CA-O 3.43Å; V73-A83 HydrophobicContact CB-CB 3.96Å; V73-A83 HydrophobicContact CG2-CB 4.02Å; V73-A83 PolarHBondContact N-O 2.79Å; V73-A83 PolarHBondContact O-N 2.93Å; A83-C139 CarbonylContact C-O 3.54Å; A83-C139 WeakPolarHBondContact CA-O 3.41Å; A83-C139 VanDerWaalsContact CB-O 3.3Å; A83-C139 WeakPolarHBondContact CB-O 3.39Å; A83-V140 HydrophobicContact CB-CB 4.3Å; A83-V140 HydrophobicContact CB-CG1 4.36Å; A83-V140 HydrophobicContact CB-CG2 3.85Å; A83-L149 HydrophobicContact CB-CB 3.83Å; A83-L149 HydrophobicContact CB-CD1 4.5Å
84C98.7Very high95.3Very high0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-148.1155.1172690000111.9L28 L31 V71 I72 C139L28-C84 HydrophobicContact CD2-CB 3.62Å; L31-C84 HydrophobicContact CD2-CB 3.92Å; V71-C84 CarbonylContact O-C 3.58Å; V71-C84 WeakPolarHBondContact O-CA 3.37Å; V71-C84 WeakPolarHBondContact O-CB 3.44Å; I72-C84 HydrophobicContact CG2-CB 4.14Å; C84-C139 PolarHBondContact N-O 3.23Å; C84-C139 PolarHBondContact O-N 2.88Å
85A98.6Very high94.8Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-119.7107.4159.500000107.2S70 V71 N87 I135 T137 L138 A153 S157S70-A85 WeakPolarHBondContact CA-O 3.38Å; S70-A85 WeakPolarHBondContact CB-O 3.48Å; V71-A85 HydrophobicContact CB-CB 4.4Å; V71-A85 PolarHBondContact N-O 3.25Å; V71-A85 PolarHBondContact O-N 2.89Å; A85-N87 PolarHBondContact O-ND2 3.43Å; A85-I135 HydrophobicContact CB-CG2 4.36Å; A85-T137 CarbonylContact C-O 3.54Å; A85-T137 VanDerWaalsContact CA-O 3.32Å; A85-T137 WeakPolarHBondContact CA-O 3.47Å; A85-L138 HydrophobicContact CB-CD1 3.96Å; A85-A153 HydrophobicContact CB-CB 4.08Å; A85-S157 WeakPolarHBondContact CB-OG 3.12Å
86L98.3Very high94.3Very high1 Ų152.8 Ų52.81%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-77.5125.5169.7-61.4-169.5000108.5L32 Q60 V61 C64 S70 I136 T137L32-L86 HydrophobicContact CD1-CD1 3.97Å; L32-L86 HydrophobicContact CD2-CD1 4.21Å; Q60-L86 HydrophobicContact CB-CD1 4.49Å; V61-L86 HydrophobicContact CG2-CD1 4.34Å; C64-L86 HydrophobicContact CB-CD2 4.19Å; S70-L86 WeakPolarHBondContact OG-CA 3.14Å; L86-I136 PolarHBondContact O-N 3.38Å; L86-T137 PolarHBondContact N-O 2.87Å; L86-T137 PolarHBondContact O-N 3.07Å
87N98.2Very high93.9Very high0 Ų054.4 Ų54.40%029%0.285CS..EExtended strand (participates in β ladder)trans-128.4163.2-172.6-51.8-50.1000111.8C64 N67 T69 S70 A85 F133 E134 S157C64-N87 PolarHBondContact SG-O 3.21Å; C64-N87 VanDerWaalsContact SG-O 3.35Å; N67-N87 PolarHBondContact ND2-O 2.73Å; T69-N87 PolarHBondContact O-ND2 2.78Å; T69-N87 WeakPolarHBondContact OG1-CB 3.49Å; T69-N87 PolarHBondContact OG1-O 2.88Å; S70-N87 PolarHBondContact OG-N 3.48Å; A85-N87 PolarHBondContact O-ND2 3.43Å; N87-F133 HydrophobicContact CB-CD1 4.22Å; N87-F133 HydrophobicContact CB-CE1 3.36Å; N87-F133 HydrophobicContact CB-CE2 4.48Å; N87-F133 HydrophobicContact CB-CZ 3.52Å; N87-F133 WeakPolarHBondContact ND2-CE1 3.09Å; N87-E134 CarbonylContact C-O 3.56Å; N87-E134 WeakPolarHBondContact CA-O 3.17Å; N87-S157 PolarHBondContact ND2-OG 2.94Å; N87-S157 PolarHBondContact OD1-OG 2.9Å
88K96.2Very high93.6Very high14 Ų1453.5 Ų53.56%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-146.7165.316366.5-176.2171.9-170.10111.3E99 F133 E134 I136K88-E99 IonicContact NZ-OE1 2.92Å; K88-E99 PolarHBondContact NZ-OE1 3.49Å; K88-F133 WeakPolarHBondContact O-CA 3.33Å; K88-E134 WeakPolarHBondContact CE-OE2 3.37Å; K88-E134 HydrophobicContact CG-CB 4.08Å; K88-E134 PolarHBondContact N-O 2.91Å; K88-E134 IonicContact NZ-OE2 3.58Å; K88-E134 PolarHBondContact O-N 2.88Å; K88-I136 HydrophobicContact CB-CD1 3.96Å; K88-I136 HydrophobicContact CD-CD1 3.68Å; K88-I136 HydrophobicContact CD-CG1 4.29Å; K88-I136 HydrophobicContact CG-CD1 3.68Å; K88-I136 HydrophobicContact CG-CG1 4.06Å
89I96Very high93Very high51 Ų5151 Ų5126%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-105.2138.7163.5-63.2165.2000108.5T69 R131 Y132 F133 W164T69-I89 HydrophobicContact CG2-CD1 4.42Å; T69-I89 HydrophobicContact CG2-CG1 4.13Å; I89-R131 HydrophobicContact CG2-CG 3.64Å; I89-Y132 WeakPolarHBondContact CA-O 3.43Å; I89-F133 HydrophobicContact CG1-CD2 3.96Å; I89-F133 HydrophobicContact CG1-CE2 4.47Å; I89-W164 HydrophobicContact CD1-CB 4.31Å; I89-W164 HydrophobicContact CD1-CD2 4.07Å; I89-W164 HydrophobicContact CD1-CE3 3.06Å; I89-W164 HydrophobicContact CD1-CZ3 3.49Å; I89-W164 VanDerWaalsContact CD1-CZ3 3.49Å; I89-W164 HydrophobicContact CG1-CE3 3.86Å; I89-W164 HydrophobicContact CG1-CZ3 4.3Å
90A94.3Very high92.4Very high29 Ų2952 Ų5224%0.2427%0.271CS..EExtended strand (participates in β ladder)trans-140.6-177.5163.200000110.5Y132A90-Y132 HydrophobicContact CB-CE1 3.87Å; A90-Y132 HydrophobicContact CB-CE2 3.77Å; A90-Y132 VanDerWaalsContact CB-CZ 3.41Å; A90-Y132 WeakPolarHBondContact CB-OH 3.02Å; A90-Y132 PolarHBondContact N-O 3.47Å; A90-Y132 PolarHBondContact O-N 3.44Å
91M94.8Very high91.5Very high103 Ų10352.1 Ų52.151%0.50727%0.267SS..EExtended strand (participates in β ladder)trans-119.9141.7176.3-174.3176.5-72.700108.8L93 G129 S130 Y132M91-L93 PolarHBondContact O-N 2.85Å; M91-G129 WeakPolarHBondContact CG-O 3.17Å; M91-S130 CarbonylContact C-O 3.44Å; M91-S130 WeakPolarHBondContact CA-O 3.27Å; M91-Y132 VanDerWaalsContact C-CE1 3.43Å
92T93.6Very high90.5Very high5 Ų558.9 Ų58.93%0.03130%0.303CS..  trans-68.2123.9172.551.10000109.5L126 P127 G129 S130 Y132T92-L126 HydrophobicContact CG2-CB 3.83Å; T92-L126 HydrophobicContact CG2-CD1 3.95Å; T92-P127 PolarHBondContact OG1-O 3.19Å; T92-G129 PolarHBondContact O-N 2.83Å; T92-G129 PolarHBondContact OG1-N 3.43Å; T92-G129 VanDerWaalsContact OG1-N 3.15Å; T92-S130 PolarHBondContact N-O 3.24Å; T92-S130 PolarHBondContact OG1-N 3.49Å; T92-S130 PolarHBondContact OG1-O 2.95Å; T92-Y132 HydrophobicContact CG2-CD1 3.73Å; T92-Y132 HydrophobicContact CG2-CE1 4.05Å
93L90.9Very high90Very high89 Ų8962.5 Ų62.547%0.46634%0.341SS..  trans-107.7166.7178.4-58179000110.1M91 R95 V97 T123M91-L93 PolarHBondContact O-N 2.85Å; L93-R95 WeakPolarHBondContact CB-O 3.34Å; L93-R95 PolarHBondContact O-N 3.02Å; L93-V97 HydrophobicContact CD1-CG2 3.99Å; L93-T123 WeakPolarHBondContact O-CG2 3.44Å
94E87.1Confident89.8Confident151 Ų15164.3 Ų64.371%0.70635%0.348SS*.SBendtrans-60-28.3174.2-70.4-179.4-178.100112.9I128E94-I128 HydrophobicContact CG-CD1 3.93Å; E94-I128 HydrophobicContact CG-CG2 4.3Å
95R87.1Confident89.7Confident207 Ų20765.8 Ų65.878%0.78136%0.358SS*.SBendtrans-140.5147.1178.1-61.7-176.7-175.5-178.21.2109.2L93 V97L93-R95 WeakPolarHBondContact CB-O 3.34Å; L93-R95 PolarHBondContact O-N 3.02Å; R95-V97 PolarHBondContact O-N 2.76Å
96L86.7Confident89.5Confident47 Ų4771.9 Ų71.925%0.24639%0.386CS..  trans-64.9134.7171.4-177.466.3000109.7D116 R119L96-D116 HydrophobicContact CD2-CB 3.53Å; L96-D116 WeakPolarHBondContact CD2-O 3.43Å; L96-R119 HydrophobicContact CD1-CB 4.07Å; L96-R119 HydrophobicContact CD2-CB 4.1Å
97V85.1Confident89.3Confident98 Ų9874.9 Ų74.959%0.59440%0.399SS*.  trans-98.7114.9164.71800000106.1L93 R95L93-V97 HydrophobicContact CD1-CG2 3.99Å; R95-V97 PolarHBondContact O-N 2.76Å
98P83.9Confident89.2Confident81 Ų8175.1 Ų75.153%0.52640%0.401SS..PPolyproline II helixtrans-59.2148.7175.9-23.734.5000111.3D116P98-D116 WeakPolarHBondContact CA-OD2 3.32Å
99E79.9Confident89.1Confident58 Ų5876.6 Ų76.627%0.27141%0.409SS..PPolyproline II helixtrans-67.1145.4172.2-60-64.5159.800109.9K88 E101 R119K88-E99 IonicContact NZ-OE1 2.92Å; K88-E99 PolarHBondContact NZ-OE1 3.49Å; E99-E101 PolarHBondContact O-N 2.62Å; E99-R119 IonicContact OE1-CZ 2.7Å; E99-R119 IonicContact OE1-NH1 3.08Å; E99-R119 PolarHBondContact OE1-NH1 3.09Å; E99-R119 IonicContact OE1-NH2 3.85Å
100P80.2Confident89Confident88 Ų8876.7 Ų76.757%0.57141%0.407SS*.PPolyproline II helixtrans-60.4134.4175.5-21.132.2000112Y104P100-Y104 WeakPolarHBondContact O-CE2 3.35Å
101E77.5Confident89Confident68 Ų6876.3 Ų76.332%0.31840%0.401SS..  trans-102.416.5-175.5-60.9-173.3154.100114.2E99 G103 Y104 I109E99-E101 PolarHBondContact O-N 2.62Å; E101-G103 PolarHBondContact O-N 3.2Å; E101-Y104 PolarHBondContact O-N 2.87Å; E101-I109 HydrophobicContact CB-CG1 4.19Å; E101-I109 HydrophobicContact CG-CG1 4.37Å
102N77Confident89Confident147 Ų14771.8 Ų71.879%0.78638%0.378SS*.THydrogen-bonded Turntrans-59.1105.1-165.3-68.7-23.7000113.2Y104N102-Y104 VanDerWaalsContact C-N 3.33Å; N102-Y104 PolarHBondContact O-N 2.98Å
103G88.2Confident89Confident76 Ų7675.2 Ų75.278%0.78440%0.397SS*.THydrogen-bonded Turntrans81.83.3172.800000115.4E101E101-G103 PolarHBondContact O-N 3.2Å
104Y94.3Very high89.2Confident38 Ų3871 Ų7115%0.14938%0.375CS..  trans-73.2154.5177.6-60.1-30000112.4D55 Y56 D59 P100 E101 N102 I108D55-Y104 HydrophobicContact CB-CE1 4.37Å; Y56-Y104 HydrophobicContact CD2-CD2 4.05Å; Y56-Y104 AromaticContact CD2-CE2 3.76Å; Y56-Y104 HydrophobicContact CD2-CE2 3.76Å; D59-Y104 PolarHBondContact OD2-OH 3.33Å; P100-Y104 WeakPolarHBondContact O-CE2 3.35Å; E101-Y104 PolarHBondContact O-N 2.87Å; N102-Y104 VanDerWaalsContact C-N 3.33Å; N102-Y104 PolarHBondContact O-N 2.98Å; Y104-I108 HydrophobicContact CD2-CG2 4.02Å; Y104-I108 HydrophobicContact CG-CG2 4.07Å
105S95.5Very high89.6Confident30 Ų3065.8 Ų65.821%0.2135%0.351CS..  trans-63.8154.517769.50000111.9D52 K107 I108 I109D52-S105 VanDerWaalsContact O-CB 3.28Å; D52-S105 WeakPolarHBondContact O-CB 2.77Å; D52-S105 PolarHBondContact O-OG 3.02Å; S105-K107 PolarHBondContact O-N 3.26Å; S105-K107 VanDerWaalsContact O-N 3.13Å; S105-I108 PolarHBondContact O-N 3.1Å; S105-I108 PolarHBondContact OG-N 3.03Å; S105-I109 PolarHBondContact O-N 3.4Å
106E93.8Very high90Very high128 Ų12856.6 Ų56.660%0.59832%0.317SS*.Hα-helixtrans-54.6-34.1175.6-171.6-173.1164.800112.2I109 K110E106-I109 PolarHBondContact O-N 3.23Å; E106-K110 HydrophobicContact CG-CD 4.38Å; E106-K110 WeakPolarHBondContact O-CG 3.4Å; E106-K110 PolarHBondContact O-N 3.38Å; E106-K110 WeakPolarHBondContact OE1-CE 3.15Å; E106-K110 IonicContact OE1-NZ 3.42Å; E106-K110 PolarHBondContact OE1-NZ 3.22Å
107K95Very high90.4Very high65 Ų6558.6 Ų58.628%0.28333%0.328SS..Hα-helixtrans-63.7-43.4176.6-69.7-178.3-172.4164.50112I46 N47 L48 D52 S105 K110 M111I46-K107 HydrophobicContact CD1-CB 4.09Å; I46-K107 WeakPolarHBondContact O-CE 3.23Å; N47-K107 PolarHBondContact O-NZ 3.14Å; L48-K107 HydrophobicContact CD1-CB 3.81Å; L48-K107 HydrophobicContact CD1-CD 4Å; D52-K107 HydrophobicContact CB-CD 4.47Å; D52-K107 IonicContact OD1-NZ 3.22Å; D52-K107 IonicContact OD2-NZ 3.82Å; D52-K107 PolarHBondContact OD2-NZ 3.1Å; S105-K107 PolarHBondContact O-N 3.26Å; S105-K107 VanDerWaalsContact O-N 3.13Å; K107-K110 PolarHBondContact O-N 3.42Å; K107-M111 PolarHBondContact O-N 3.2Å
108I95.7Very high90.9Very high5 Ų554 Ų543%0.02630%0.3CS..Hα-helixtrans-68.4-42.7177.5-69.3-65.3000110.8L48 C53 Y56 Y104 S105 K110 M111 N112L48-I108 HydrophobicContact CD1-CD1 4.12Å; L48-I108 HydrophobicContact CD1-CG1 4.38Å; L48-I108 HydrophobicContact CD2-CD1 4.2Å; C53-I108 HydrophobicContact CB-CD1 3.6Å; C53-I108 HydrophobicContact CB-CG1 3.98Å; Y56-I108 HydrophobicContact CD1-CD1 4.3Å; Y56-I108 HydrophobicContact CD2-CG2 3.67Å; Y56-I108 HydrophobicContact CE2-CG2 4.2Å; Y56-I108 HydrophobicContact CG-CD1 4.37Å; Y56-I108 HydrophobicContact CG-CG2 3.95Å; Y104-I108 HydrophobicContact CD2-CG2 4.02Å; Y104-I108 HydrophobicContact CG-CG2 4.07Å; S105-I108 PolarHBondContact O-N 3.1Å; S105-I108 PolarHBondContact OG-N 3.03Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.13Å; I108-M111 PolarHBondContact O-N 2.94Å; I108-M111 VanDerWaalsContact O-N 3.15Å; I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 PolarHBondContact O-N 3.4Å
109I94.1Very high91.4Very high45 Ų4550.6 Ų50.623%0.23128%0.277CS..Hα-helixtrans-55.7-48.3174-69.9169.9000110.6E101 S105 E106 M111 N112 N113E101-I109 HydrophobicContact CB-CG1 4.19Å; E101-I109 HydrophobicContact CG-CG1 4.37Å; S105-I109 PolarHBondContact O-N 3.4Å; E106-I109 PolarHBondContact O-N 3.23Å; I109-M111 VanDerWaalsContact C-N 3.35Å; I109-M111 PolarHBondContact O-N 3.3Å; I109-N112 PolarHBondContact O-N 3.06Å; I109-N113 PolarHBondContact O-N 2.9Å; I109-N113 PolarHBondContact O-ND2 3.01Å
110K93.3Very high92Very high52 Ų5250.1 Ų50.123%0.22628%0.28CS..Hα-helixtrans-65.4-36.3178.1-69.3179.3-178.7-179.50112.9E106 K107 I108 N113 L114 D201 M205E106-K110 HydrophobicContact CG-CD 4.38Å; E106-K110 WeakPolarHBondContact O-CG 3.4Å; E106-K110 PolarHBondContact O-N 3.38Å; E106-K110 WeakPolarHBondContact OE1-CE 3.15Å; E106-K110 IonicContact OE1-NZ 3.42Å; E106-K110 PolarHBondContact OE1-NZ 3.22Å; K107-K110 PolarHBondContact O-N 3.42Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.13Å; K110-N113 PolarHBondContact O-N 2.77Å; K110-L114 PolarHBondContact O-N 2.83Å; K110-D201 WeakPolarHBondContact CE-OD2 3.43Å; K110-D201 IonicContact NZ-OD2 3.52Å; K110-D201 PolarHBondContact NZ-OD2 2.65Å; K110-M205 HydrophobicContact CB-CE 3.36Å; K110-M205 HydrophobicContact CB-SD 4.13Å
111M94.9Very high92.7Very high22 Ų2247.1 Ų47.111%0.10826%0.262CS..Hα-helixtrans-64.8-45.5174.3-17265.177.300111.3L42 I46 K107 I108 I109 N113 L114 I115 F206L42-M111 HydrophobicContact CB-CE 3.79Å; I46-M111 HydrophobicContact CD1-CE 3.93Å; K107-M111 PolarHBondContact O-N 3.2Å; I108-M111 PolarHBondContact O-N 2.94Å; I108-M111 VanDerWaalsContact O-N 3.15Å; I109-M111 VanDerWaalsContact C-N 3.35Å; I109-M111 PolarHBondContact O-N 3.3Å; M111-N113 VanDerWaalsContact C-N 3.32Å; M111-N113 PolarHBondContact O-N 3.13Å; M111-L114 WeakPolarHBondContact O-CB 3.49Å; M111-L114 PolarHBondContact O-N 3.29Å; M111-L114 VanDerWaalsContact O-N 3.17Å; M111-L114 HydrophobicContact SD-CD2 4.34Å; M111-I115 HydrophobicContact CG-CD1 4.09Å; M111-I115 WeakPolarHBondContact O-CG1 3.35Å; M111-I115 PolarHBondContact O-N 2.82Å; M111-F206 HydrophobicContact CE-CE1 3.93Å; M111-F206 HydrophobicContact CE-CZ 4.35Å; M111-F206 HydrophobicContact SD-CE1 4.41Å; M111-F206 HydrophobicContact SD-CZ 4.24Å
112N94.8Very high93.3Very high7 Ų744.3 Ų44.34%0.03725%0.25CC..Hα-helixtrans-61-41.5176.5-71.7-15.3000111.2I108 I109 L114 I115 D116I108-N112 WeakPolarHBondContact O-CB 3.4Å; I108-N112 PolarHBondContact O-N 3.4Å; I109-N112 PolarHBondContact O-N 3.06Å; N112-L114 VanDerWaalsContact C-N 3.33Å; N112-L114 PolarHBondContact O-N 3.28Å; N112-I115 CarbonylContact O-C 3.48Å; N112-I115 WeakPolarHBondContact O-CB 3.32Å; N112-I115 PolarHBondContact O-N 2.82Å; N112-I115 VanDerWaalsContact O-N 3.11Å; N112-D116 WeakPolarHBondContact O-CB 3Å; N112-D116 PolarHBondContact O-N 2.91Å
113N94.1Very high93.7Very high78 Ų7839.4 Ų39.442%0.41723%0.225SC..Hα-helixtrans-59.5-39.1174.7-77.7-50.6000113.2I109 K110 M111 L117I109-N113 PolarHBondContact O-N 2.9Å; I109-N113 PolarHBondContact O-ND2 3.01Å; K110-N113 PolarHBondContact O-N 2.77Å; M111-N113 VanDerWaalsContact C-N 3.32Å; M111-N113 PolarHBondContact O-N 3.13Å; N113-L117 VanDerWaalsContact O-CB 3.29Å; N113-L117 WeakPolarHBondContact O-CB 3.29Å; N113-L117 PolarHBondContact O-N 2.64Å
114L95.8Very high93.6Very high1 Ų145 Ų451%0.00523%0.228CC..Hα-helixtrans-63.2-47.2172.6173.874.8000111.2L42 K110 M111 N112 D116 L117 L118 I193 Y198 F206 C215L42-L114 HydrophobicContact CD1-CD2 3.85Å; K110-L114 PolarHBondContact O-N 2.83Å; M111-L114 WeakPolarHBondContact O-CB 3.49Å; M111-L114 PolarHBondContact O-N 3.29Å; M111-L114 VanDerWaalsContact O-N 3.17Å; M111-L114 HydrophobicContact SD-CD2 4.34Å; N112-L114 VanDerWaalsContact C-N 3.33Å; N112-L114 PolarHBondContact O-N 3.28Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-L117 PolarHBondContact O-N 2.92Å; L114-L118 PolarHBondContact O-N 2.6Å; L114-L118 VanDerWaalsContact O-N 3.13Å; L114-I193 HydrophobicContact CD1-CB 4.36Å; L114-I193 HydrophobicContact CD1-CD1 3.49Å; L114-I193 VanDerWaalsContact CD1-CD1 3.49Å; L114-I193 HydrophobicContact CD1-CG2 4.08Å; L114-Y198 HydrophobicContact CB-CE1 4.27Å; L114-Y198 HydrophobicContact CD1-CD1 4.06Å; L114-Y198 HydrophobicContact CD1-CD2 4.39Å; L114-Y198 HydrophobicContact CD1-CE1 3.67Å; L114-Y198 HydrophobicContact CD1-CE2 4.04Å; L114-Y198 HydrophobicContact CD1-CG 4.4Å; L114-Y198 HydrophobicContact CG-CE1 4.48Å; L114-F206 HydrophobicContact CD2-CE2 3.69Å; L114-F206 HydrophobicContact CD2-CZ 3.75Å; L114-C215 HydrophobicContact CD2-CB 4.49Å
115I95.6Very high93.5Very high40 Ų4045.2 Ų45.221%0.20524%0.237CC..Hα-helixtrans-60.8-45.7-180-68.5166.8000110M111 N112 L118 R119 V172M111-I115 HydrophobicContact CG-CD1 4.09Å; M111-I115 WeakPolarHBondContact O-CG1 3.35Å; M111-I115 PolarHBondContact O-N 2.82Å; N112-I115 CarbonylContact O-C 3.48Å; N112-I115 WeakPolarHBondContact O-CB 3.32Å; N112-I115 PolarHBondContact O-N 2.82Å; N112-I115 VanDerWaalsContact O-N 3.11Å; I115-L118 WeakPolarHBondContact O-CB 3.11Å; I115-L118 PolarHBondContact O-N 3.3Å; I115-R119 HydrophobicContact CG2-CG 4.25Å; I115-R119 WeakPolarHBondContact O-CB 3.48Å; I115-R119 WeakPolarHBondContact O-CG 3.27Å; I115-R119 PolarHBondContact O-N 2.96Å; I115-V172 HydrophobicContact CG1-CG1 4.32Å; I115-V172 HydrophobicContact CG2-CG2 4.2Å
116D94.7Very high93.3Very high14 Ų1444.3 Ų44.38%0.07523%0.23CC..Hα-helixtrans-67.3-37.9179.7-79.7-11.7000112.1L96 P98 N112 L114 L118 R119 S120L96-D116 HydrophobicContact CD2-CB 3.53Å; L96-D116 WeakPolarHBondContact CD2-O 3.43Å; P98-D116 WeakPolarHBondContact CA-OD2 3.32Å; N112-D116 WeakPolarHBondContact O-CB 3Å; N112-D116 PolarHBondContact O-N 2.91Å; L114-D116 VanDerWaalsContact C-N 3.34Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 3.35Å; D116-R119 PolarHBondContact O-N 3.44Å; D116-R119 IonicContact OD1-NH1 2.7Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å
117L94.7Very high93.4Very high90 Ų9041.5 Ų41.547%0.47122%0.223SC..Hα-helixtrans-58.2-44.4172.1179.559.2000111.4N113 L114 S120 I193 Y198N113-L117 VanDerWaalsContact O-CB 3.29Å; N113-L117 WeakPolarHBondContact O-CB 3.29Å; N113-L117 PolarHBondContact O-N 2.64Å; L114-L117 PolarHBondContact O-N 2.92Å; L117-S120 PolarHBondContact O-OG 3.09Å; L117-I193 HydrophobicContact CB-CD1 4.43Å; L117-I193 HydrophobicContact CD2-CD1 3.6Å; L117-I193 HydrophobicContact CG-CD1 3.94Å; L117-Y198 HydrophobicContact CD2-CE2 3.95Å
118L96.5Very high93.4Very high1 Ų143.5 Ų43.51%0.00524%0.236CC..Hα-helixtrans-66.5-48175.1-74.7167.4000111.7L114 I115 D116 S120 A121 V172 T191 I193 C215 L217L114-L118 PolarHBondContact O-N 2.6Å; L114-L118 VanDerWaalsContact O-N 3.13Å; I115-L118 WeakPolarHBondContact O-CB 3.11Å; I115-L118 PolarHBondContact O-N 3.3Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 3.35Å; L118-S120 PolarHBondContact O-N 3.42Å; L118-A121 WeakPolarHBondContact O-CB 3.46Å; L118-A121 PolarHBondContact O-N 3.34Å; L118-A121 VanDerWaalsContact O-N 3.12Å; L118-V172 HydrophobicContact CB-CG2 4.23Å; L118-V172 HydrophobicContact CD1-CG1 3.6Å; L118-T191 HydrophobicContact CD2-CG2 3.79Å; L118-I193 HydrophobicContact CD1-CD1 4.37Å; L118-I193 HydrophobicContact CD2-CB 4.47Å; L118-I193 HydrophobicContact CD2-CD1 3.83Å; L118-I193 HydrophobicContact CD2-CG1 3.81Å; L118-I193 HydrophobicContact CG-CD1 3.74Å; L118-I193 HydrophobicContact CG-CG1 4.28Å; L118-C215 HydrophobicContact CD1-CB 3.99Å; L118-C215 WeakPolarHBondContact CD1-SG 3.36Å; L118-L217 HydrophobicContact CB-CB 4.26Å; L118-L217 VanDerWaalsContact O-CD2 3.29Å; L118-L217 WeakPolarHBondContact O-CD2 3.46Å
119R94.2Very high93.4Very high9 Ų945.1 Ų45.13%0.03425%0.254CS..Hα-helixtrans-59.9-30.5178.8-75.9177.181.6-153.55112.6L96 E99 I115 D116 A121 M122 Y132 E134 V172L96-R119 HydrophobicContact CD1-CB 4.07Å; L96-R119 HydrophobicContact CD2-CB 4.1Å; E99-R119 IonicContact OE1-CZ 2.7Å; E99-R119 IonicContact OE1-NH1 3.08Å; E99-R119 PolarHBondContact OE1-NH1 3.09Å; E99-R119 IonicContact OE1-NH2 3.85Å; I115-R119 HydrophobicContact CG2-CG 4.25Å; I115-R119 WeakPolarHBondContact O-CB 3.48Å; I115-R119 WeakPolarHBondContact O-CG 3.27Å; I115-R119 PolarHBondContact O-N 2.96Å; D116-R119 PolarHBondContact O-N 3.44Å; D116-R119 IonicContact OD1-NH1 2.7Å; R119-A121 PolarHBondContact O-N 3.18Å; R119-A121 VanDerWaalsContact O-N 3.14Å; R119-M122 HydrophobicContact CB-CE 3.81Å; R119-M122 HydrophobicContact CG-CE 4.02Å; R119-M122 VanDerWaalsContact O-CB 3.22Å; R119-M122 WeakPolarHBondContact O-CB 3.32Å; R119-M122 WeakPolarHBondContact O-CE 3.42Å; R119-M122 WeakPolarHBondContact O-CG 3.46Å; R119-M122 PolarHBondContact O-N 2.9Å; R119-Y132 PolarHBondContact NH2-OH 3.01Å; R119-Y132 VanDerWaalsContact NH2-OH 3.16Å; R119-E134 IonicContact CZ-OE2 2.94Å; R119-E134 IonicContact NE-OE1 2.69Å; R119-E134 PolarHBondContact NE-OE1 3.43Å; R119-E134 IonicContact NE-OE2 3.66Å; R119-E134 IonicContact NH2-OE2 3.91Å; R119-E134 PolarHBondContact NH2-OE2 3.12Å; R119-V172 HydrophobicContact CG-CG2 4.16Å
120S93.1Very high93.5Very high49 Ų4943.6 Ų43.634%0.34325%0.247SC..Hα-helixtrans-58-28.7177.279.50000112.8D116 L117 L118 M122 T123D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å; L117-S120 PolarHBondContact O-OG 3.09Å; L118-S120 PolarHBondContact O-N 3.42Å; S120-M122 PolarHBondContact O-N 3.4Å; S120-T123 PolarHBondContact O-N 2.86Å; S120-T123 PolarHBondContact O-OG1 3.35Å
121A93.1Very high93.7Very high24 Ų2445.3 Ų45.320%0.19825%0.252CS..THydrogen-bonded Turntrans-68.8-19.8177.100000113.3L118 R119 T123 K124 A125 V190 T191 L217L118-A121 WeakPolarHBondContact O-CB 3.46Å; L118-A121 PolarHBondContact O-N 3.34Å; L118-A121 VanDerWaalsContact O-N 3.12Å; R119-A121 PolarHBondContact O-N 3.18Å; R119-A121 VanDerWaalsContact O-N 3.14Å; A121-T123 PolarHBondContact O-N 3.26Å; A121-K124 PolarHBondContact O-N 2.86Å; A121-A125 PolarHBondContact O-N 3.04Å; A121-V190 HydrophobicContact CB-CG1 4.13Å; A121-T191 HydrophobicContact CB-CG2 3.46Å; A121-T191 VanDerWaalsContact CB-CG2 3.46Å; A121-L217 HydrophobicContact CB-CD2 4.3Å
122M90Very high93.7Very high10 Ų1044.7 Ų44.75%0.04925%0.248CC..Hα-helixtrans-59.5-34.2175.9-68-168.5-66.100112.8R119 S120 K124 A125 L126 Y132 I170 L217R119-M122 HydrophobicContact CB-CE 3.81Å; R119-M122 HydrophobicContact CG-CE 4.02Å; R119-M122 VanDerWaalsContact O-CB 3.22Å; R119-M122 WeakPolarHBondContact O-CB 3.32Å; R119-M122 WeakPolarHBondContact O-CE 3.42Å; R119-M122 WeakPolarHBondContact O-CG 3.46Å; R119-M122 PolarHBondContact O-N 2.9Å; S120-M122 PolarHBondContact O-N 3.4Å; M122-K124 PolarHBondContact O-N 3.16Å; M122-A125 PolarHBondContact O-N 3.11Å; M122-L126 PolarHBondContact O-N 3.17Å; M122-Y132 HydrophobicContact CE-CE1 4.42Å; M122-I170 HydrophobicContact CE-CD1 3.95Å; M122-I170 HydrophobicContact SD-CD1 3.19Å; M122-I170 WeakPolarHBondContact SD-CD1 3.41Å; M122-I170 HydrophobicContact SD-CG1 4.45Å; M122-I170 HydrophobicContact SD-CG2 4.26Å; M122-L217 HydrophobicContact CG-CD1 4.26Å; M122-L217 HydrophobicContact CG-CD2 3.46Å; M122-L217 VanDerWaalsContact CG-CD2 3.46Å; M122-L217 HydrophobicContact CG-CG 4.44Å; M122-L217 HydrophobicContact SD-CD1 4.46Å
123T85.5Confident93.9Very high44 Ų4444.3 Ų44.327%0.2725%0.246SC..Hα-helixtrans-58.3-22.3-179.761.70000112.9L93 S120 A121L93-T123 WeakPolarHBondContact O-CG2 3.44Å; S120-T123 PolarHBondContact O-N 2.86Å; S120-T123 PolarHBondContact O-OG1 3.35Å; A121-T123 PolarHBondContact O-N 3.26Å
124K87.5Confident94Very high194 Ų19440.9 Ų40.984%0.84323%0.228SC*.Hα-helixtrans-102.8-24.3176.9-61.7179.1-177.5175.40113.1A121 M122A121-K124 PolarHBondContact O-N 2.86Å; M122-K124 PolarHBondContact O-N 3.16Å
125A90.8Very high94.2Very high42 Ų4240.9 Ų40.935%0.34723%0.228SC..Hα-helixtrans-90-29.6-173.400000113.2A121 M122 V190A121-A125 PolarHBondContact O-N 3.04Å; M122-A125 PolarHBondContact O-N 3.11Å; A125-V190 HydrophobicContact CB-CG1 3.45Å; A125-V190 VanDerWaalsContact CB-CG1 3.45Å; A125-V190 HydrophobicContact CB-CG2 4.29Å
126L93Very high94.2Very high10 Ų1040.7 Ų40.75%0.05223%0.227CC..SBendtrans-120.4146.6-175.2-57.8-178.2000110.5T92 M122 I128 Y168 I170 Y219T92-L126 HydrophobicContact CG2-CB 3.83Å; T92-L126 HydrophobicContact CG2-CD1 3.95Å; M122-L126 PolarHBondContact O-N 3.17Å; L126-I128 PolarHBondContact O-N 3.31Å; L126-Y168 HydrophobicContact CB-CE2 4.45Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 4.18Å; L126-Y168 HydrophobicContact CD2-CD1 3.81Å; L126-Y168 HydrophobicContact CD2-CD2 4.01Å; L126-Y168 HydrophobicContact CD2-CE1 3.91Å; L126-Y168 HydrophobicContact CD2-CE2 4.11Å; L126-Y168 HydrophobicContact CD2-CG 3.87Å; L126-Y168 HydrophobicContact CG-CD2 4.45Å; L126-I170 HydrophobicContact CD1-CG2 4.21Å; L126-Y219 HydrophobicContact CD2-CD2 3.51Å; L126-Y219 HydrophobicContact CD2-CE2 3.73Å; L126-Y219 HydrophobicContact CD2-CG 4.24Å
127P95.2Very high94.4Very high70 Ų7040.3 Ų40.346%0.45523%0.225SC..  trans-59.5136.8174.7-20.131.6000111.5T92 S130 Y168T92-P127 PolarHBondContact OG1-O 3.19Å; P127-S130 VanDerWaalsContact O-CB 3.24Å; P127-S130 WeakPolarHBondContact O-CB 3.06Å; P127-S130 PolarHBondContact O-N 3.36Å; P127-S130 PolarHBondContact O-OG 2.91Å; P127-S130 VanDerWaalsContact O-OG 3.06Å; P127-Y168 WeakPolarHBondContact CD-OH 3.45Å
128I94.8Very high94.5Very high107 Ų10737.1 Ų37.155%0.54921%0.208SC..THydrogen-bonded Turntrans-60.2142.3174.5-64.6158000109.8E94 L126 S130E94-I128 HydrophobicContact CG-CD1 3.93Å; E94-I128 HydrophobicContact CG-CG2 4.3Å; L126-I128 PolarHBondContact O-N 3.31Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 3.23Å
129G95.2Very high94.6Very high39 Ų3937.3 Ų37.340%0.40221%0.209SC..THydrogen-bonded Turntrans82-5.8-175.700000115.1M91 T92M91-G129 WeakPolarHBondContact CG-O 3.17Å; T92-G129 PolarHBondContact O-N 2.83Å; T92-G129 PolarHBondContact OG1-N 3.43Å; T92-G129 VanDerWaalsContact OG1-N 3.15Å
130S96.4Very high94.8Very high13 Ų1337.8 Ų37.89%0.09121%0.213CC..  trans-65.6135.4173.4-69.30000112M91 T92 P127 I128 D167 Y168M91-S130 CarbonylContact C-O 3.44Å; M91-S130 WeakPolarHBondContact CA-O 3.27Å; T92-S130 PolarHBondContact N-O 3.24Å; T92-S130 PolarHBondContact OG1-N 3.49Å; T92-S130 PolarHBondContact OG1-O 2.95Å; P127-S130 VanDerWaalsContact O-CB 3.24Å; P127-S130 WeakPolarHBondContact O-CB 3.06Å; P127-S130 PolarHBondContact O-N 3.36Å; P127-S130 PolarHBondContact O-OG 2.91Å; P127-S130 VanDerWaalsContact O-OG 3.06Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 3.23Å; S130-D167 WeakPolarHBondContact CA-OD2 3.17Å; S130-Y168 WeakPolarHBondContact OG-CE2 3.31Å
131R97.1Very high95Very high88 Ų8836.6 Ų36.633%0.33220%0.203SC..EExtended strand (participates in β ladder)trans-84.3127175-175.1179.2169.2164.7-0.9108.6I89 W164 C166 D167 Y168I89-R131 HydrophobicContact CG2-CG 3.64Å; R131-W164 PolarHBondContact NE-O 3.4Å; R131-W164 PolarHBondContact NH1-O 3.25Å; R131-W164 VanDerWaalsContact NH1-O 3.13Å; R131-W164 PolarHBondContact NH2-O 2.94Å; R131-C166 HydrophobicContact CG-CB 4.38Å; R131-C166 CarbonylContact O-C 3.59Å; R131-D167 PolarHBondContact N-OD2 2.8Å; R131-D167 PolarHBondContact O-N 2.7Å; R131-Y168 PolarHBondContact O-N 3.47Å
132Y96.8Very high95.2Very high8 Ų837.4 Ų37.43%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-123.4149.4177.966.9-94.7000112I89 A90 M91 T92 R119 M122 E134 Y168 I170I89-Y132 WeakPolarHBondContact CA-O 3.43Å; A90-Y132 HydrophobicContact CB-CE1 3.87Å; A90-Y132 HydrophobicContact CB-CE2 3.77Å; A90-Y132 VanDerWaalsContact CB-CZ 3.41Å; A90-Y132 WeakPolarHBondContact CB-OH 3.02Å; A90-Y132 PolarHBondContact N-O 3.47Å; A90-Y132 PolarHBondContact O-N 3.44Å; M91-Y132 VanDerWaalsContact C-CE1 3.43Å; T92-Y132 HydrophobicContact CG2-CD1 3.73Å; T92-Y132 HydrophobicContact CG2-CE1 4.05Å; R119-Y132 PolarHBondContact NH2-OH 3.01Å; R119-Y132 VanDerWaalsContact NH2-OH 3.16Å; M122-Y132 HydrophobicContact CE-CE1 4.42Å; Y132-E134 HydrophobicContact CD2-CB 4.1Å; Y132-E134 HydrophobicContact CE2-CB 3.99Å; Y132-Y168 CarbonylContact C-O 3.5Å; Y132-Y168 VanDerWaalsContact CA-O 3.27Å; Y132-Y168 WeakPolarHBondContact CA-O 3.12Å; Y132-I170 HydrophobicContact CD2-CD1 3.36Å; Y132-I170 HydrophobicContact CD2-CG1 3.7Å; Y132-I170 HydrophobicContact CE2-CD1 3.32Å; Y132-I170 HydrophobicContact CE2-CG1 4.1Å; Y132-I170 HydrophobicContact CG-CD1 4.22Å
133F97.8Very high95.4Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-103.5116.3172.7-163.2-85.4000108.7T69 N87 K88 I89 L160 A161 W164 C166 Y168 I169 I170T69-F133 HydrophobicContact CG2-CE2 4.03Å; T69-F133 WeakPolarHBondContact O-CZ 3.42Å; N87-F133 HydrophobicContact CB-CD1 4.22Å; N87-F133 HydrophobicContact CB-CE1 3.36Å; N87-F133 HydrophobicContact CB-CE2 4.48Å; N87-F133 HydrophobicContact CB-CZ 3.52Å; N87-F133 WeakPolarHBondContact ND2-CE1 3.09Å; K88-F133 WeakPolarHBondContact O-CA 3.33Å; I89-F133 HydrophobicContact CG1-CD2 3.96Å; I89-F133 HydrophobicContact CG1-CE2 4.47Å; F133-L160 HydrophobicContact CE2-CB 4.22Å; F133-L160 HydrophobicContact CZ-CB 4.14Å; F133-A161 HydrophobicContact CB-CB 3.47Å; F133-A161 VanDerWaalsContact CB-CB 3.47Å; F133-A161 HydrophobicContact CD1-CB 4.11Å; F133-A161 HydrophobicContact CD2-CB 3.85Å; F133-A161 HydrophobicContact CG-CB 3.56Å; F133-W164 HydrophobicContact CE2-CE3 4.26Å; F133-C166 HydrophobicContact CB-CB 4.12Å; F133-Y168 PolarHBondContact N-O 3.44Å; F133-I169 HydrophobicContact CB-CG1 4.4Å; F133-I169 CarbonylContact O-C 3.53Å; F133-I169 VanDerWaalsContact O-CA 3.22Å; F133-I169 WeakPolarHBondContact O-CA 3.34Å; F133-I169 WeakPolarHBondContact O-CG2 3.31Å; F133-I170 PolarHBondContact O-N 2.97Å
134E97.4Very high95.9Very high6 Ų644.8 Ų44.83%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-100.7125.6-177.2179.5165-160.300110.3N87 K88 R119 Y132 I136 I170N87-E134 CarbonylContact C-O 3.56Å; N87-E134 WeakPolarHBondContact CA-O 3.17Å; K88-E134 WeakPolarHBondContact CE-OE2 3.37Å; K88-E134 HydrophobicContact CG-CB 4.08Å; K88-E134 PolarHBondContact N-O 2.91Å; K88-E134 IonicContact NZ-OE2 3.58Å; K88-E134 PolarHBondContact O-N 2.88Å; R119-E134 IonicContact CZ-OE2 2.94Å; R119-E134 IonicContact NE-OE1 2.69Å; R119-E134 PolarHBondContact NE-OE1 3.43Å; R119-E134 IonicContact NE-OE2 3.66Å; R119-E134 IonicContact NH2-OE2 3.91Å; R119-E134 PolarHBondContact NH2-OE2 3.12Å; Y132-E134 HydrophobicContact CD2-CB 4.1Å; Y132-E134 HydrophobicContact CE2-CB 3.99Å; E134-I136 HydrophobicContact CG-CG1 4.05Å; E134-I136 PolarHBondContact O-N 3.17Å; E134-I170 WeakPolarHBondContact CA-O 3.46Å; E134-I170 HydrophobicContact CB-CD1 3.98Å; E134-I170 HydrophobicContact CB-CG1 3.68Å; E134-I170 HydrophobicContact CG-CD1 3.97Å; E134-I170 HydrophobicContact CG-CG1 3.83Å
135I98.3Very high96.3Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans-86.798.8166-54.5174.5000106.7A85 L138 T154 I169 I170 S171 F182 F187A85-I135 HydrophobicContact CB-CG2 4.36Å; I135-L138 HydrophobicContact CG2-CB 4.31Å; I135-T154 HydrophobicContact CD1-CG2 3.83Å; I135-I169 HydrophobicContact CD1-CG2 4.33Å; I135-I169 HydrophobicContact CG1-CG2 4.4Å; I135-I170 PolarHBondContact N-O 2.85Å; I135-S171 WeakPolarHBondContact O-CB 3.48Å; I135-S171 PolarHBondContact O-OG 3.31Å; I135-F182 HydrophobicContact CD1-CE1 4.03Å; I135-F182 HydrophobicContact CD1-CZ 4.38Å; I135-F182 HydrophobicContact CG2-CZ 4.41Å; I135-F187 HydrophobicContact CD1-CZ 4.33Å
136I96.7Very high96.4Very high36 Ų3650.4 Ų50.419%0.18524%0.241CC..EExtended strand (participates in β ladder)trans-76.2-46.4-174.6-52.4171000110.1L86 K88 E134L86-I136 PolarHBondContact O-N 3.38Å; K88-I136 HydrophobicContact CB-CD1 3.96Å; K88-I136 HydrophobicContact CD-CD1 3.68Å; K88-I136 HydrophobicContact CD-CG1 4.29Å; K88-I136 HydrophobicContact CG-CD1 3.68Å; K88-I136 HydrophobicContact CG-CG1 4.06Å; E134-I136 HydrophobicContact CG-CG1 4.05Å; E134-I136 PolarHBondContact O-N 3.17Å
137T97.7Very high96.5Very high6 Ų655.2 Ų55.24%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-139.6128.1-178.6-60.90000109.3L32 F36 A85 L86L32-T137 HydrophobicContact CD2-CG2 3.72Å; F36-T137 HydrophobicContact CB-CG2 4.33Å; F36-T137 HydrophobicContact CD1-CG2 3.81Å; F36-T137 HydrophobicContact CD2-CG2 3.71Å; F36-T137 HydrophobicContact CE1-CG2 3.95Å; F36-T137 HydrophobicContact CE2-CG2 3.85Å; F36-T137 HydrophobicContact CG-CG2 3.68Å; F36-T137 HydrophobicContact CZ-CG2 3.97Å; A85-T137 CarbonylContact C-O 3.54Å; A85-T137 VanDerWaalsContact CA-O 3.32Å; A85-T137 WeakPolarHBondContact CA-O 3.47Å; L86-T137 PolarHBondContact N-O 2.87Å; L86-T137 PolarHBondContact O-N 3.07Å
138L98.4Very high96.6Very high24 Ų2453.8 Ų53.813%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-116.8114.9172-17766.2000108.3A85 I135 A150 A153 L181 F182A85-L138 HydrophobicContact CB-CD1 3.96Å; I135-L138 HydrophobicContact CG2-CB 4.31Å; L138-A150 HydrophobicContact CD1-CB 4.48Å; L138-A150 HydrophobicContact CD2-CB 4.14Å; L138-A150 HydrophobicContact CG-CB 4.38Å; L138-A153 HydrophobicContact CD1-CB 4.17Å; L138-L181 HydrophobicContact CD2-CD2 3.76Å; L138-F182 HydrophobicContact CD2-CE1 4.14Å; L138-F182 HydrophobicContact CD2-CZ 4.16Å
139C98.4Very high96.7Very high4 Ų448.9 Ų48.93%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-125.8139.8-175.1-174.40000110.7L32 F36 A83 C84L32-C139 HydrophobicContact CD2-CB 4.35Å; F36-C139 HydrophobicContact CB-CB 4.09Å; F36-C139 PolarHBondContact N-SG 2.91Å; A83-C139 CarbonylContact C-O 3.54Å; A83-C139 WeakPolarHBondContact CA-O 3.41Å; A83-C139 VanDerWaalsContact CB-O 3.3Å; A83-C139 WeakPolarHBondContact CB-O 3.39Å; C84-C139 PolarHBondContact N-O 3.23Å; C84-C139 PolarHBondContact O-N 2.88Å
140V98.3Very high96.9Very high19 Ų1948.2 Ų48.212%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-129137165.7-178.40000107.1A83 F144 Y145 L149 A150A83-V140 HydrophobicContact CB-CB 4.3Å; A83-V140 HydrophobicContact CB-CG1 4.36Å; A83-V140 HydrophobicContact CB-CG2 3.85Å; V140-F144 HydrophobicContact CG1-CB 4.29Å; V140-Y145 HydrophobicContact CB-CD1 3.91Å; V140-Y145 HydrophobicContact CB-CE1 3.89Å; V140-Y145 HydrophobicContact CG1-CD1 3.81Å; V140-Y145 HydrophobicContact CG1-CE1 4.23Å; V140-Y145 WeakPolarHBondContact O-CE1 3.31Å; V140-L149 HydrophobicContact CG1-CB 4.28Å; V140-L149 HydrophobicContact CG1-CD1 4.1Å; V140-L149 HydrophobicContact CG2-CB 4.31Å; V140-A150 HydrophobicContact CG2-CB 3.69Å
141H97.7Very high97Very high25 Ų2553.2 Ų53.212%0.11624%0.242CC..  trans-63.3135.7175.5-175-75.5000109.7L31 E34 V82 K143 F144L31-H141 HydrophobicContact CD1-CB 3.64Å; E34-H141 IonicContact OE2-NE2 3.98Å; E34-H141 PolarHBondContact OE2-NE2 2.86Å; V82-H141 WeakPolarHBondContact O-CB 3.45Å; V82-H141 PolarHBondContact O-N 3.3Å; H141-K143 VanDerWaalsContact C-N 3.3Å; H141-K143 PolarHBondContact ND1-N 2.79Å; H141-K143 PolarHBondContact O-N 2.87Å; H141-K143 VanDerWaalsContact O-N 3.15Å; H141-F144 HydrophobicContact CB-CD2 3.93Å; H141-F144 AromaticContact ND1-CD2 3.75Å; H141-F144 WeakPolarHBondContact O-CA 3.35Å; H141-F144 PolarHBondContact O-N 2.94Å
142P96Very high97Very high40 Ų4051.9 Ų51.926%0.2624%0.24SC..G310 helixtrans-57-37.5-171.1-29.938.5000115.2E39 F144 Y145E39-P142 HydrophobicContact CG-CG 3.73Å; P142-F144 PolarHBondContact O-N 3.31Å; P142-F144 VanDerWaalsContact O-N 3.1Å; P142-Y145 HydrophobicContact CB-CD2 4.41Å; P142-Y145 HydrophobicContact CB-CE2 3.89Å; P142-Y145 HydrophobicContact CG-CE2 4.38Å; P142-Y145 WeakPolarHBondContact O-CD2 3.49Å; P142-Y145 PolarHBondContact O-N 2.8Å
143K95.6Very high97.1Very high177 Ų17751.5 Ų51.577%0.7724%0.239SC*.G310 helixtrans-61.3-16.1174.7-64.9176.1-174.7169.20114.3H141H141-K143 VanDerWaalsContact C-N 3.3Å; H141-K143 PolarHBondContact ND1-N 2.79Å; H141-K143 PolarHBondContact O-N 2.87Å; H141-K143 VanDerWaalsContact O-N 3.15Å
144F95.7Very high97.1Very high32 Ų3251.5 Ų51.514%0.1424%0.239CC..G310 helixtrans-115.313-175.1-64.2-92.7000113.1F15 E75 V82 V140 H141 P142 K147 L149F15-F144 AromaticContact CE1-CD1 3.92Å; F15-F144 HydrophobicContact CE1-CD1 3.92Å; F15-F144 HydrophobicContact CE1-CE1 4.14Å; F15-F144 HydrophobicContact CZ-CD1 4Å; F15-F144 HydrophobicContact CZ-CE1 4.36Å; E75-F144 HydrophobicContact CG-CE1 4.37Å; E75-F144 WeakPolarHBondContact OE1-CE1 3.47Å; V82-F144 HydrophobicContact CB-CB 4.35Å; V82-F144 HydrophobicContact CB-CD1 4.21Å; V82-F144 HydrophobicContact CB-CD2 3.91Å; V82-F144 HydrophobicContact CB-CE2 4.22Å; V82-F144 HydrophobicContact CB-CG 3.9Å; V82-F144 HydrophobicContact CG1-CD1 4.02Å; V82-F144 HydrophobicContact CG1-CD2 3.66Å; V82-F144 HydrophobicContact CG1-CE1 3.83Å; V82-F144 HydrophobicContact CG1-CE2 3.44Å; V82-F144 VanDerWaalsContact CG1-CE2 3.44Å; V82-F144 HydrophobicContact CG1-CG 3.95Å; V82-F144 HydrophobicContact CG1-CZ 3.54Å; V82-F144 HydrophobicContact CG2-CD1 4.49Å; V140-F144 HydrophobicContact CG1-CB 4.29Å; H141-F144 HydrophobicContact CB-CD2 3.93Å; H141-F144 AromaticContact ND1-CD2 3.75Å; H141-F144 WeakPolarHBondContact O-CA 3.35Å; H141-F144 PolarHBondContact O-N 2.94Å; P142-F144 PolarHBondContact O-N 3.31Å; P142-F144 VanDerWaalsContact O-N 3.1Å; F144-K147 HydrophobicContact CB-CD 4.44Å; F144-K147 HydrophobicContact CD1-CD 4.24Å; F144-L149 HydrophobicContact CB-CD1 3.64Å; F144-L149 HydrophobicContact CG-CD1 4.43Å
145Y95Very high97.2Very high104 Ų10454.4 Ų54.441%0.40825%0.252SS..THydrogen-bonded Turntrans-57.5156.2173.7-71.1-21.4000112.9V140 P142 K147V140-Y145 HydrophobicContact CB-CD1 3.91Å; V140-Y145 HydrophobicContact CB-CE1 3.89Å; V140-Y145 HydrophobicContact CG1-CD1 3.81Å; V140-Y145 HydrophobicContact CG1-CE1 4.23Å; V140-Y145 WeakPolarHBondContact O-CE1 3.31Å; P142-Y145 HydrophobicContact CB-CD2 4.41Å; P142-Y145 HydrophobicContact CB-CE2 3.89Å; P142-Y145 HydrophobicContact CG-CE2 4.38Å; P142-Y145 WeakPolarHBondContact O-CD2 3.49Å; P142-Y145 PolarHBondContact O-N 2.8Å; Y145-K147 PolarHBondContact O-N 2.89Å; Y145-K147 VanDerWaalsContact O-N 3.13Å
146R93.8Very high97.2Very high250 Ų25057.7 Ų57.794%0.94327%0.266SS*.THydrogen-bonded Turntrans63.213.9176-49.6-57.3-60.2-167.1-5.3115.5
147K95Very high97.3Very high112 Ų11256 Ų5649%0.48726%0.257SS..SBendtrans-96.311.3173.5-66.7175.6176.1-80.20114.4F15 F144 Y145 L149F15-K147 HydrophobicContact CE2-CD 4.36Å; F15-K147 HydrophobicContact CZ-CD 4.04Å; F144-K147 HydrophobicContact CB-CD 4.44Å; F144-K147 HydrophobicContact CD1-CD 4.24Å; Y145-K147 PolarHBondContact O-N 2.89Å; Y145-K147 VanDerWaalsContact O-N 3.13Å; K147-L149 VanDerWaalsContact C-N 3.26Å; K147-L149 HydrophobicContact CB-CD1 4.5Å; K147-L149 HydrophobicContact CB-CD2 4.3Å; K147-L149 HydrophobicContact CB-CG 4.03Å; K147-L149 PolarHBondContact O-N 2.82Å
148G96.1Very high97.3Very high40 Ų4056.2 Ų56.241%0.41226%0.259SS..SBendtrans74.26.6-179.800000115.5A150 R151 Q152G148-A150 PolarHBondContact O-N 2.8Å; G148-R151 WeakPolarHBondContact O-CB 3.27Å; G148-R151 PolarHBondContact O-N 3.01Å; G148-Q152 PolarHBondContact O-N 3.27Å
149L97.8Very high97.3Very high3 Ų358.1 Ų58.12%0.01627%0.274CS..Hα-helixtrans-62.6-40.4-173.9-51.8-179.3000113.5F15 V73 V82 A83 V140 F144 K147 R151 Q152 A153F15-L149 HydrophobicContact CB-CD2 4.35Å; F15-L149 HydrophobicContact CD1-CD2 3.91Å; F15-L149 HydrophobicContact CD2-CD2 3.7Å; F15-L149 HydrophobicContact CE1-CD1 4.22Å; F15-L149 HydrophobicContact CE1-CD2 4.16Å; F15-L149 HydrophobicContact CE2-CD2 3.94Å; F15-L149 HydrophobicContact CG-CD2 3.69Å; F15-L149 HydrophobicContact CZ-CD1 4.48Å; F15-L149 HydrophobicContact CZ-CD2 4.18Å; V73-L149 HydrophobicContact CG1-CD2 3.94Å; V82-L149 HydrophobicContact CB-CD1 4.36Å; V82-L149 HydrophobicContact CG2-CD1 3.74Å; A83-L149 HydrophobicContact CB-CB 3.83Å; A83-L149 HydrophobicContact CB-CD1 4.5Å; V140-L149 HydrophobicContact CG1-CB 4.28Å; V140-L149 HydrophobicContact CG1-CD1 4.1Å; V140-L149 HydrophobicContact CG2-CB 4.31Å; F144-L149 HydrophobicContact CB-CD1 3.64Å; F144-L149 HydrophobicContact CG-CD1 4.43Å; K147-L149 VanDerWaalsContact C-N 3.26Å; K147-L149 HydrophobicContact CB-CD1 4.5Å; K147-L149 HydrophobicContact CB-CD2 4.3Å; K147-L149 HydrophobicContact CB-CG 4.03Å; K147-L149 PolarHBondContact O-N 2.82Å; L149-R151 VanDerWaalsContact C-N 3.25Å; L149-R151 PolarHBondContact O-N 3.25Å; L149-Q152 PolarHBondContact O-N 3.15Å; L149-A153 PolarHBondContact O-N 3.01Å
150A98.2Very high97.2Very high26 Ų2657.9 Ų57.922%0.21527%0.273CS..Hα-helixtrans-58.8-38.617400000112.1L138 V140 G148 T154 L181L138-A150 HydrophobicContact CD1-CB 4.48Å; L138-A150 HydrophobicContact CD2-CB 4.14Å; L138-A150 HydrophobicContact CG-CB 4.38Å; V140-A150 HydrophobicContact CG2-CB 3.69Å; G148-A150 PolarHBondContact O-N 2.8Å; A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 3.33Å; A150-T154 PolarHBondContact O-OG1 3.31Å; A150-L181 HydrophobicContact CB-CD2 3.83Å
151R98.3Very high97.2Very high117 Ų11757 Ų5744%0.44227%0.267SS..Hα-helixtrans-66.9-46.3176.8-173.9178.4-169.6-82-8.1110.6G148 L149 A153 T154 E155 L181G148-R151 WeakPolarHBondContact O-CB 3.27Å; G148-R151 PolarHBondContact O-N 3.01Å; L149-R151 VanDerWaalsContact C-N 3.25Å; L149-R151 PolarHBondContact O-N 3.25Å; R151-A153 PolarHBondContact O-N 3.35Å; R151-T154 PolarHBondContact O-N 3.39Å; R151-E155 HydrophobicContact CG-CG 4.31Å; R151-E155 VanDerWaalsContact CZ-CD 3.49Å; R151-E155 IonicContact CZ-OE1 3.9Å; R151-E155 IonicContact CZ-OE2 2.76Å; R151-E155 IonicContact NE-OE1 2.83Å; R151-E155 IonicContact NH1-OE1 2.81Å; R151-E155 PolarHBondContact NH1-OE1 2.7Å; R151-E155 IonicContact NH1-OE2 2.91Å; R151-E155 PolarHBondContact NH1-OE2 3.04Å; R151-E155 IonicContact NH2-OE1 3.58Å; R151-E155 PolarHBondContact NH2-OE1 2.99Å; R151-E155 WeakPolarHBondContact O-CB 3.47Å; R151-E155 WeakPolarHBondContact O-CG 3.31Å; R151-E155 PolarHBondContact O-N 2.97Å; R151-L181 HydrophobicContact CB-CD1 3.81Å; R151-L181 HydrophobicContact CG-CD1 3.99Å
152Q98.2Very high97.2Very high61 Ų6159.2 Ų59.229%0.28528%0.279SS..Hα-helixtrans-58.5-47177-67.6-178.449.700112V17 G148 L149 T154 E155 K156V17-Q152 HydrophobicContact CG2-CB 4.04Å; G148-Q152 PolarHBondContact O-N 3.27Å; L149-Q152 PolarHBondContact O-N 3.15Å; Q152-T154 PolarHBondContact O-N 3.32Å; Q152-E155 PolarHBondContact O-N 3.47Å; Q152-K156 PolarHBondContact O-N 3.04Å
153A98.6Very high97.3Very high0 Ų063.5 Ų63.50%030%0.296CS..Hα-helixtrans-60.2-45.4176.100000111.4V71 V73 A85 L138 L149 R151 K156 S157V71-A153 HydrophobicContact CG1-CB 4.32Å; V73-A153 HydrophobicContact CG2-CB 4.06Å; A85-A153 HydrophobicContact CB-CB 4.08Å; L138-A153 HydrophobicContact CD1-CB 4.17Å; L149-A153 PolarHBondContact O-N 3.01Å; R151-A153 PolarHBondContact O-N 3.35Å; A153-K156 PolarHBondContact O-N 2.89Å; A153-S157 PolarHBondContact O-N 3Å; A153-S157 PolarHBondContact O-OG 3.23Å; A153-S157 VanDerWaalsContact O-OG 3.14Å
154T98.6Very high97.4Very high0 Ų058.1 Ų58.10%027%0.271CS..Hα-helixtrans-65.7-43179.6-54.20000112.4I135 A150 R151 Q152 K156 S157 V158 F182 L185I135-T154 HydrophobicContact CD1-CG2 3.83Å; A150-T154 WeakPolarHBondContact O-CB 3.39Å; A150-T154 PolarHBondContact O-N 3.33Å; A150-T154 PolarHBondContact O-OG1 3.31Å; R151-T154 PolarHBondContact O-N 3.39Å; Q152-T154 PolarHBondContact O-N 3.32Å; T154-K156 VanDerWaalsContact C-N 3.34Å; T154-K156 PolarHBondContact O-N 3.18Å; T154-S157 WeakPolarHBondContact O-CB 3.34Å; T154-S157 PolarHBondContact O-N 3.17Å; T154-V158 VanDerWaalsContact O-CG2 3.29Å; T154-V158 WeakPolarHBondContact O-CG2 3.18Å; T154-V158 PolarHBondContact O-N 2.88Å; T154-F182 HydrophobicContact CG2-CD1 4.11Å; T154-F182 HydrophobicContact CG2-CE1 3.87Å; T154-L185 HydrophobicContact CG2-CD1 3.37Å
155E98.3Very high97.5Very high66 Ų6664.6 Ų64.631%0.30830%0.299SS..Hα-helixtrans-65.5-37.2178.4-74.4178.8132.900112R151 Q152 V158 S159 L185R151-E155 HydrophobicContact CG-CG 4.31Å; R151-E155 VanDerWaalsContact CZ-CD 3.49Å; R151-E155 IonicContact CZ-OE1 3.9Å; R151-E155 IonicContact CZ-OE2 2.76Å; R151-E155 IonicContact NE-OE1 2.83Å; R151-E155 IonicContact NH1-OE1 2.81Å; R151-E155 PolarHBondContact NH1-OE1 2.7Å; R151-E155 IonicContact NH1-OE2 2.91Å; R151-E155 PolarHBondContact NH1-OE2 3.04Å; R151-E155 IonicContact NH2-OE1 3.58Å; R151-E155 PolarHBondContact NH2-OE1 2.99Å; R151-E155 WeakPolarHBondContact O-CB 3.47Å; R151-E155 WeakPolarHBondContact O-CG 3.31Å; R151-E155 PolarHBondContact O-N 2.97Å; Q152-E155 PolarHBondContact O-N 3.47Å; E155-V158 WeakPolarHBondContact O-CB 3.3Å; E155-V158 PolarHBondContact O-N 2.88Å; E155-S159 PolarHBondContact O-N 3.04Å; E155-S159 PolarHBondContact O-OG 3.47Å; E155-L185 HydrophobicContact CG-CD1 4.48Å; E155-L185 HydrophobicContact CG-CD2 4.1Å
156K98.3Very high97.6Very high69 Ų6960 Ų6030%0.328%0.282SS..Hα-helixtrans-67-40.4171.5-179.266.8176.9-179.30111.6V17 V71 Q152 A153 T154 V158 S159 L160V17-K156 HydrophobicContact CG1-CB 3.69Å; V17-K156 HydrophobicContact CG1-CG 3.85Å; V71-K156 HydrophobicContact CB-CG 4.4Å; V71-K156 HydrophobicContact CG1-CB 3.89Å; V71-K156 HydrophobicContact CG1-CG 3.79Å; V71-K156 HydrophobicContact CG2-CB 4.06Å; V71-K156 HydrophobicContact CG2-CG 3.63Å; Q152-K156 PolarHBondContact O-N 3.04Å; A153-K156 PolarHBondContact O-N 2.89Å; T154-K156 VanDerWaalsContact C-N 3.34Å; T154-K156 PolarHBondContact O-N 3.18Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.41Å; K156-S159 WeakPolarHBondContact O-CB 3.17Å; K156-S159 PolarHBondContact O-N 3.14Å; K156-S159 VanDerWaalsContact O-N 3.14Å; K156-L160 HydrophobicContact CG-CD1 4.5Å; K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.49Å
157S98.5Very high97.8Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-58.1-43.4172.2-67.50000111.8A85 N87 A153 T154 S159 L160 A161A85-S157 WeakPolarHBondContact CB-OG 3.12Å; N87-S157 PolarHBondContact ND2-OG 2.94Å; N87-S157 PolarHBondContact OD1-OG 2.9Å; A153-S157 PolarHBondContact O-N 3Å; A153-S157 PolarHBondContact O-OG 3.23Å; A153-S157 VanDerWaalsContact O-OG 3.14Å; T154-S157 WeakPolarHBondContact O-CB 3.34Å; T154-S157 PolarHBondContact O-N 3.17Å; S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 3Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-A161 WeakPolarHBondContact O-CB 3.5Å; S157-A161 PolarHBondContact O-N 3.17Å
158V98.3Very high98Very high12 Ų1248.9 Ų48.97%0.07324%0.243CC..Hα-helixtrans-59.5-44.5174.2169.60000110.9T154 E155 K156 L160 A161 I162 I169T154-V158 VanDerWaalsContact O-CG2 3.29Å; T154-V158 WeakPolarHBondContact O-CG2 3.18Å; T154-V158 PolarHBondContact O-N 2.88Å; E155-V158 WeakPolarHBondContact O-CB 3.3Å; E155-V158 PolarHBondContact O-N 2.88Å; K156-V158 VanDerWaalsContact C-N 3.32Å; K156-V158 PolarHBondContact O-N 3.41Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.63Å; V158-A161 WeakPolarHBondContact O-CB 3.4Å; V158-A161 PolarHBondContact O-N 2.94Å; V158-I162 HydrophobicContact CG1-CD1 4.08Å; V158-I162 WeakPolarHBondContact O-CG1 3.27Å; V158-I162 PolarHBondContact O-N 3.18Å; V158-I162 VanDerWaalsContact O-N 3.08Å; V158-I169 HydrophobicContact CB-CD1 3.94Å; V158-I169 HydrophobicContact CG1-CD1 3.84Å; V158-I169 HydrophobicContact CG2-CD1 3.74Å
159S97.9Very high98Very high63 Ų6347 Ų4744%0.44122%0.224SC..Hα-helixtrans-63.7-40.7179.4-56.20000111.7E155 K156 S157 I162 Q163E155-S159 PolarHBondContact O-N 3.04Å; E155-S159 PolarHBondContact O-OG 3.47Å; K156-S159 WeakPolarHBondContact O-CB 3.17Å; K156-S159 PolarHBondContact O-N 3.14Å; K156-S159 VanDerWaalsContact O-N 3.14Å; S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 3Å; S159-I162 PolarHBondContact O-N 3.43Å; S159-Q163 WeakPolarHBondContact O-CB 3.42Å; S159-Q163 PolarHBondContact O-N 3.15Å
160L98Very high98.1Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-65-42.9174.2-71.9175000111.7Q19 T69 V71 F133 K156 S157 V158 I162 Q163 W164Q19-L160 HydrophobicContact CG-CD1 4.09Å; T69-L160 WeakPolarHBondContact O-CD1 3.37Å; V71-L160 HydrophobicContact CG2-CD1 3.61Å; F133-L160 HydrophobicContact CE2-CB 4.22Å; F133-L160 HydrophobicContact CZ-CB 4.14Å; K156-L160 HydrophobicContact CG-CD1 4.5Å; K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.49Å; S157-L160 PolarHBondContact O-N 3.39Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.63Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 2.93Å; L160-Q163 WeakPolarHBondContact O-CB 2.99Å; L160-Q163 PolarHBondContact O-N 3.15Å; L160-W164 WeakPolarHBondContact O-CB 3.45Å; L160-W164 VanDerWaalsContact O-CG 3.22Å; L160-W164 PolarHBondContact O-N 2.84Å
161A98.1Very high98.1Very high0 Ų045.9 Ų45.90%022%0.215CC..Hα-helixtrans-57.3-43.8176.300000112.2F133 S157 V158 W164 K165 C166 I169F133-A161 HydrophobicContact CB-CB 3.47Å; F133-A161 VanDerWaalsContact CB-CB 3.47Å; F133-A161 HydrophobicContact CD1-CB 4.11Å; F133-A161 HydrophobicContact CD2-CB 3.85Å; F133-A161 HydrophobicContact CG-CB 3.56Å; S157-A161 WeakPolarHBondContact O-CB 3.5Å; S157-A161 PolarHBondContact O-N 3.17Å; V158-A161 WeakPolarHBondContact O-CB 3.4Å; V158-A161 PolarHBondContact O-N 2.94Å; A161-W164 CarbonylContact O-C 3.22Å; A161-W164 PolarHBondContact O-N 3Å; A161-K165 PolarHBondContact O-N 3.45Å; A161-K165 VanDerWaalsContact O-N 3.14Å; A161-C166 HydrophobicContact CB-CB 4.31Å; A161-C166 PolarHBondContact O-N 2.75Å; A161-I169 HydrophobicContact CB-CD1 3.88Å; A161-I169 HydrophobicContact CB-CG1 3.61Å
162I98Very high98Very high72 Ų7241.2 Ų41.237%0.36920%0.199SC..Hα-helixtrans-65.4-48.8175.8-64.3164.8000110.6V158 S159 L160 W164 K165 A222 I223V158-I162 HydrophobicContact CG1-CD1 4.08Å; V158-I162 WeakPolarHBondContact O-CG1 3.27Å; V158-I162 PolarHBondContact O-N 3.18Å; V158-I162 VanDerWaalsContact O-N 3.08Å; S159-I162 PolarHBondContact O-N 3.43Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 2.93Å; I162-W164 PolarHBondContact O-N 3.45Å; I162-W164 VanDerWaalsContact O-N 3.17Å; I162-K165 PolarHBondContact O-N 3.23Å; I162-A222 WeakPolarHBondContact CD1-O 3.31Å; I162-A222 HydrophobicContact CG1-CB 4.17Å; I162-A222 WeakPolarHBondContact CG1-O 3.35Å; I162-I223 HydrophobicContact CG1-CG1 4.41Å; I162-I223 HydrophobicContact CG2-CG1 4.35Å
163Q97.1Very high98Very high129 Ų12938.4 Ų38.460%0.60319%0.186SC*.Hα-helixtrans-55.2-35.8176.6-176.6-172.9-22.300111.2S159 L160 K165S159-Q163 WeakPolarHBondContact O-CB 3.42Å; S159-Q163 PolarHBondContact O-N 3.15Å; L160-Q163 WeakPolarHBondContact O-CB 2.99Å; L160-Q163 PolarHBondContact O-N 3.15Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.1Å
164W97.1Very high97.9Very high65 Ų6539.5 Ų39.525%0.24619%0.194CC..THydrogen-bonded Turntrans-89.97.3-176.6-69.817.8000112.3N67 T69 I89 R131 F133 L160 A161 I162 C166N67-W164 WeakPolarHBondContact O-CH2 3.13Å; T69-W164 HydrophobicContact CG2-CE3 3.61Å; T69-W164 HydrophobicContact CG2-CH2 3.91Å; T69-W164 HydrophobicContact CG2-CZ3 3.09Å; I89-W164 HydrophobicContact CD1-CB 4.31Å; I89-W164 HydrophobicContact CD1-CD2 4.07Å; I89-W164 HydrophobicContact CD1-CE3 3.06Å; I89-W164 HydrophobicContact CD1-CZ3 3.49Å; I89-W164 VanDerWaalsContact CD1-CZ3 3.49Å; I89-W164 HydrophobicContact CG1-CE3 3.86Å; I89-W164 HydrophobicContact CG1-CZ3 4.3Å; R131-W164 PolarHBondContact NE-O 3.4Å; R131-W164 PolarHBondContact NH1-O 3.25Å; R131-W164 VanDerWaalsContact NH1-O 3.13Å; R131-W164 PolarHBondContact NH2-O 2.94Å; F133-W164 HydrophobicContact CE2-CE3 4.26Å; L160-W164 WeakPolarHBondContact O-CB 3.45Å; L160-W164 VanDerWaalsContact O-CG 3.22Å; L160-W164 PolarHBondContact O-N 2.84Å; A161-W164 CarbonylContact O-C 3.22Å; A161-W164 PolarHBondContact O-N 3Å; I162-W164 PolarHBondContact O-N 3.45Å; I162-W164 VanDerWaalsContact O-N 3.17Å; W164-C166 PolarHBondContact O-N 2.69Å
165K97.5Very high97.8Very high168 Ų16841.4 Ų41.473%0.7320%0.204SC*.THydrogen-bonded Turntrans55.638176.4-51.8-179-179.7-179.10112.4A161 I162 Q163A161-K165 PolarHBondContact O-N 3.45Å; A161-K165 VanDerWaalsContact O-N 3.14Å; I162-K165 PolarHBondContact O-N 3.23Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.1Å
166C98.2Very high97.8Very high8 Ų841.6 Ų41.65%0.05421%0.207CC..  trans-73.2142.7165.7-61.80000108.9R131 F133 A161 W164 A222R131-C166 HydrophobicContact CG-CB 4.38Å; R131-C166 CarbonylContact O-C 3.59Å; F133-C166 HydrophobicContact CB-CB 4.12Å; A161-C166 HydrophobicContact CB-CB 4.31Å; A161-C166 PolarHBondContact O-N 2.75Å; W164-C166 PolarHBondContact O-N 2.69Å; C166-A222 WeakPolarHBondContact O-CB 3.4Å
167D97.8Very high97.7Very high80 Ų8041.2 Ų41.243%0.42822%0.216SC..SBendtrans-77-37.5174.8-55.2-62.9000110.6S130 R131 A222S130-D167 WeakPolarHBondContact CA-OD2 3.17Å; R131-D167 PolarHBondContact N-OD2 2.8Å; R131-D167 PolarHBondContact O-N 2.7Å; D167-A222 PolarHBondContact O-N 3.24Å
168Y98.1Very high97.7Very high47 Ų4742.2 Ų42.218%0.18422%0.223CC..EExtended strand (participates in β ladder)trans-132159.4-175.4-55.7-77000112.5L126 P127 S130 R131 Y132 F133 Y219 R220L126-Y168 HydrophobicContact CB-CE2 4.45Å; L126-Y168 HydrophobicContact CD1-CD2 4.12Å; L126-Y168 HydrophobicContact CD1-CG 4.18Å; L126-Y168 HydrophobicContact CD2-CD1 3.81Å; L126-Y168 HydrophobicContact CD2-CD2 4.01Å; L126-Y168 HydrophobicContact CD2-CE1 3.91Å; L126-Y168 HydrophobicContact CD2-CE2 4.11Å; L126-Y168 HydrophobicContact CD2-CG 3.87Å; L126-Y168 HydrophobicContact CG-CD2 4.45Å; P127-Y168 WeakPolarHBondContact CD-OH 3.45Å; S130-Y168 WeakPolarHBondContact OG-CE2 3.31Å; R131-Y168 PolarHBondContact O-N 3.47Å; Y132-Y168 CarbonylContact C-O 3.5Å; Y132-Y168 VanDerWaalsContact CA-O 3.27Å; Y132-Y168 WeakPolarHBondContact CA-O 3.12Å; F133-Y168 PolarHBondContact N-O 3.44Å; Y168-Y219 AromaticContact CD1-CD2 3.95Å; Y168-Y219 HydrophobicContact CD1-CD2 3.95Å; Y168-Y219 HydrophobicContact CD1-CE2 4.21Å; Y168-Y219 HydrophobicContact CE1-CD2 4.49Å; Y168-Y219 HydrophobicContact CE1-CE2 4.31Å; Y168-R220 CarbonylContact C-O 3.48Å; Y168-R220 VanDerWaalsContact CA-O 3.31Å; Y168-R220 WeakPolarHBondContact CA-O 3.5Å
169I98.2Very high97.7Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-123.1132.8168.6-50.8160.6000106.6F133 I135 V158 A161 F187 Y219 R220 A222F133-I169 HydrophobicContact CB-CG1 4.4Å; F133-I169 CarbonylContact O-C 3.53Å; F133-I169 VanDerWaalsContact O-CA 3.22Å; F133-I169 WeakPolarHBondContact O-CA 3.34Å; F133-I169 WeakPolarHBondContact O-CG2 3.31Å; I135-I169 HydrophobicContact CD1-CG2 4.33Å; I135-I169 HydrophobicContact CG1-CG2 4.4Å; V158-I169 HydrophobicContact CB-CD1 3.94Å; V158-I169 HydrophobicContact CG1-CD1 3.84Å; V158-I169 HydrophobicContact CG2-CD1 3.74Å; A161-I169 HydrophobicContact CB-CD1 3.88Å; A161-I169 HydrophobicContact CB-CG1 3.61Å; I169-F187 HydrophobicContact CB-CE1 4.23Å; I169-F187 HydrophobicContact CB-CZ 4.08Å; I169-F187 HydrophobicContact CG2-CE1 3.9Å; I169-F187 HydrophobicContact CG2-CZ 3.6Å; I169-Y219 CarbonylContact O-C 3.58Å; I169-Y219 WeakPolarHBondContact O-CA 3.39Å; I169-R220 HydrophobicContact CB-CG 3.88Å; I169-R220 HydrophobicContact CD1-CG 4.18Å; I169-R220 HydrophobicContact CG1-CG 4.44Å; I169-R220 PolarHBondContact N-O 3.49Å; I169-R220 PolarHBondContact O-N 3.05Å; I169-A222 HydrophobicContact CD1-CB 4.33Å; I169-A222 HydrophobicContact CG1-CB 4.22Å
170I97.9Very high97.7Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-128.5161.4-17870.3169.2000111.1M122 L126 Y132 F133 E134 I135 M218M122-I170 HydrophobicContact CE-CD1 3.95Å; M122-I170 HydrophobicContact SD-CD1 3.19Å; M122-I170 WeakPolarHBondContact SD-CD1 3.41Å; M122-I170 HydrophobicContact SD-CG1 4.45Å; M122-I170 HydrophobicContact SD-CG2 4.26Å; L126-I170 HydrophobicContact CD1-CG2 4.21Å; Y132-I170 HydrophobicContact CD2-CD1 3.36Å; Y132-I170 HydrophobicContact CD2-CG1 3.7Å; Y132-I170 HydrophobicContact CE2-CD1 3.32Å; Y132-I170 HydrophobicContact CE2-CG1 4.1Å; Y132-I170 HydrophobicContact CG-CD1 4.22Å; F133-I170 PolarHBondContact O-N 2.97Å; E134-I170 WeakPolarHBondContact CA-O 3.46Å; E134-I170 HydrophobicContact CB-CD1 3.98Å; E134-I170 HydrophobicContact CB-CG1 3.68Å; E134-I170 HydrophobicContact CG-CD1 3.97Å; E134-I170 HydrophobicContact CG-CG1 3.83Å; I135-I170 PolarHBondContact N-O 2.85Å; I170-M218 CarbonylContact C-O 3.55Å; I170-M218 VanDerWaalsContact CA-O 3.27Å; I170-M218 WeakPolarHBondContact CA-O 3.44Å
171S98.2Very high97.8Very high6 Ų643.3 Ų43.34%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-157.5143.8164.2-170.30000110.5I135 A173 F182 M218I135-S171 WeakPolarHBondContact O-CB 3.48Å; I135-S171 PolarHBondContact O-OG 3.31Å; S171-A173 PolarHBondContact O-N 2.88Å; S171-F182 VanDerWaalsContact CB-CE2 3.43Å; S171-F182 VanDerWaalsContact OG-CE2 3.32Å; S171-F182 WeakPolarHBondContact OG-CE2 3.15Å; S171-M218 PolarHBondContact N-O 2.81Å; S171-M218 PolarHBondContact O-N 2.9Å
172V97.9Very high97.8Very high20 Ų2043.3 Ų43.312%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-84.599.7162174.50000108I115 L118 R119 S174 C215 K216 L217I115-V172 HydrophobicContact CG1-CG1 4.32Å; I115-V172 HydrophobicContact CG2-CG2 4.2Å; L118-V172 HydrophobicContact CB-CG2 4.23Å; L118-V172 HydrophobicContact CD1-CG1 3.6Å; R119-V172 HydrophobicContact CG-CG2 4.16Å; V172-S174 PolarHBondContact O-N 2.97Å; V172-C215 VanDerWaalsContact CG1-SG 3.51Å; V172-K216 CarbonylContact C-O 3.52Å; V172-K216 WeakPolarHBondContact CA-O 3.37Å; V172-L217 HydrophobicContact CG2-CD1 4.12Å
173A98.1Very high97.8Very high2 Ų243 Ų432%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-87.388.9-176.700000111.1S171 N175 Q179 F182 K216 M218S171-A173 PolarHBondContact O-N 2.88Å; A173-N175 VanDerWaalsContact C-N 3.31Å; A173-N175 PolarHBondContact O-N 3.24Å; A173-Q179 HydrophobicContact CB-CG 3.61Å; A173-Q179 PolarHBondContact O-NE2 3.2Å; A173-F182 HydrophobicContact CB-CD2 3.82Å; A173-F182 HydrophobicContact CB-CE2 3.91Å; A173-K216 PolarHBondContact N-O 3.48Å; A173-K216 PolarHBondContact O-N 2.92Å; A173-M218 HydrophobicContact CB-CG 4.35Å; A173-M218 HydrophobicContact CB-SD 3.96Å
174S96.3Very high97.8Very high22 Ų2244.4 Ų44.415%0.15423%0.234CC..  trans-77.9-9.9-179.965.50000114.8E40 V172 T212 C215E40-S174 WeakPolarHBondContact OE1-CB 3.35Å; E40-S174 PolarHBondContact OE1-OG 3.44Å; V172-S174 PolarHBondContact O-N 2.97Å; S174-T212 WeakPolarHBondContact O-CG2 3.49Å; S174-C215 VanDerWaalsContact CA-SG 3.55Å
175N96.1Very high97.9Very high40 Ų4042 Ų4221%0.21423%0.226CC..SBendtrans-122.7135.8179.9-177.3-17.1000111.1P41 A173 A177 S178 Q179P41-N175 HydrophobicContact CG-CB 4.43Å; A173-N175 VanDerWaalsContact C-N 3.31Å; A173-N175 PolarHBondContact O-N 3.24Å; N175-A177 PolarHBondContact O-N 3.18Å; N175-A177 VanDerWaalsContact O-N 3.13Å; N175-A177 PolarHBondContact OD1-N 3.33Å; N175-S178 WeakPolarHBondContact O-CB 3.32Å; N175-S178 PolarHBondContact O-N 3.45Å; N175-Q179 WeakPolarHBondContact O-CG 3.47Å; N175-Q179 PolarHBondContact O-N 3.21Å
176I97.6Very high97.9Very high71 Ų7139.5 Ų39.536%0.36422%0.217SC..Hα-helixtrans-55.2-30.1176.4-17058.6000113.5Q179 T180 N211 T212I176-Q179 HydrophobicContact CD1-CB 4.41Å; I176-Q179 PolarHBondContact O-N 3.43Å; I176-T180 WeakPolarHBondContact O-CB 3.48Å; I176-T180 PolarHBondContact O-N 2.92Å; I176-T180 PolarHBondContact O-OG1 3.49Å; I176-N211 HydrophobicContact CG2-CB 4.47Å; I176-T212 PolarHBondContact N-OG1 2.92Å
177A97.3Very high97.9Very high60 Ų6039.6 Ų39.650%0.49622%0.217SC..Hα-helixtrans-64.4-44.4174.800000111.8N175 T180 L181N175-A177 PolarHBondContact O-N 3.18Å; N175-A177 VanDerWaalsContact O-N 3.13Å; N175-A177 PolarHBondContact OD1-N 3.33Å; A177-T180 PolarHBondContact O-N 3.32Å; A177-L181 WeakPolarHBondContact O-CB 3.07Å; A177-L181 PolarHBondContact O-N 3.47Å
178S98Very high97.8Very high22 Ų2240.9 Ų40.915%0.15422%0.22CC..Hα-helixtrans-67.4-43.2175.5-56.90000111N175 T180 L181 F182N175-S178 WeakPolarHBondContact O-CB 3.32Å; N175-S178 PolarHBondContact O-N 3.45Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.1Å; S178-L181 PolarHBondContact O-N 3.43Å; S178-L181 VanDerWaalsContact O-N 3.13Å; S178-F182 WeakPolarHBondContact O-CB 3.1Å; S178-F182 VanDerWaalsContact O-CD2 3.31Å; S178-F182 WeakPolarHBondContact O-CD2 3.3Å; S178-F182 VanDerWaalsContact O-CG 3.23Å; S178-F182 WeakPolarHBondContact O-CG 3.36Å; S178-F182 PolarHBondContact O-N 2.92Å
179Q98.5Very high97.8Very high6 Ų642.5 Ų42.53%0.02823%0.232CC..Hα-helixtrans-57.1-44.6175.9-64.9169.917.300111.8A173 N175 I176 S183 E214 K216 M218A173-Q179 HydrophobicContact CB-CG 3.61Å; A173-Q179 PolarHBondContact O-NE2 3.2Å; N175-Q179 WeakPolarHBondContact O-CG 3.47Å; N175-Q179 PolarHBondContact O-N 3.21Å; I176-Q179 HydrophobicContact CD1-CB 4.41Å; I176-Q179 PolarHBondContact O-N 3.43Å; Q179-S183 WeakPolarHBondContact O-CB 3.43Å; Q179-S183 PolarHBondContact O-N 2.74Å; Q179-S183 PolarHBondContact O-OG 3.06Å; Q179-E214 PolarHBondContact NE2-O 3.33Å; Q179-K216 HydrophobicContact CG-CD 4.08Å; Q179-K216 HydrophobicContact CG-CG 4.28Å; Q179-M218 HydrophobicContact CB-SD 4.27Å; Q179-M218 HydrophobicContact CG-SD 4.3Å
180T98.4Very high97.7Very high67 Ų6744.4 Ų44.441%0.41124%0.243SC..Hα-helixtrans-64.1-42.7176.9-58.80000111.5I176 A177 S178 K184I176-T180 WeakPolarHBondContact O-CB 3.48Å; I176-T180 PolarHBondContact O-N 2.92Å; I176-T180 PolarHBondContact O-OG1 3.49Å; A177-T180 PolarHBondContact O-N 3.32Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.1Å; T180-K184 WeakPolarHBondContact O-CG 2.77Å; T180-K184 PolarHBondContact O-N 3.19Å
181L98.6Very high97.7Very high24 Ų2447 Ų4713%0.12626%0.259CS..Hα-helixtrans-63.8-49.7177.6172.660.7000111.3L138 A150 R151 A177 S178 S183 K184 L185L138-L181 HydrophobicContact CD2-CD2 3.76Å; A150-L181 HydrophobicContact CB-CD2 3.83Å; R151-L181 HydrophobicContact CB-CD1 3.81Å; R151-L181 HydrophobicContact CG-CD1 3.99Å; A177-L181 WeakPolarHBondContact O-CB 3.07Å; A177-L181 PolarHBondContact O-N 3.47Å; S178-L181 PolarHBondContact O-N 3.43Å; S178-L181 VanDerWaalsContact O-N 3.13Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 2.82Å; L181-K184 WeakPolarHBondContact O-CB 3.49Å; L181-K184 PolarHBondContact O-N 3.23Å; L181-K184 VanDerWaalsContact O-N 3.13Å; L181-L185 HydrophobicContact CD1-CD1 3.91Å; L181-L185 HydrophobicContact CD1-CG 4.31Å; L181-L185 HydrophobicContact CG-CD1 4.19Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-L185 VanDerWaalsContact O-N 3.09Å
182F98.6Very high97.7Very high1 Ų149.1 Ų49.10%0.00427%0.274CS..Hα-helixtrans-63.8-39.6-178.6-64.8-29000111.7I135 L138 T154 S171 A173 S178 K184 L185 Q186 F187 M218I135-F182 HydrophobicContact CD1-CE1 4.03Å; I135-F182 HydrophobicContact CD1-CZ 4.38Å; I135-F182 HydrophobicContact CG2-CZ 4.41Å; L138-F182 HydrophobicContact CD2-CE1 4.14Å; L138-F182 HydrophobicContact CD2-CZ 4.16Å; T154-F182 HydrophobicContact CG2-CD1 4.11Å; T154-F182 HydrophobicContact CG2-CE1 3.87Å; S171-F182 VanDerWaalsContact CB-CE2 3.43Å; S171-F182 VanDerWaalsContact OG-CE2 3.32Å; S171-F182 WeakPolarHBondContact OG-CE2 3.15Å; A173-F182 HydrophobicContact CB-CD2 3.82Å; A173-F182 HydrophobicContact CB-CE2 3.91Å; S178-F182 WeakPolarHBondContact O-CB 3.1Å; S178-F182 VanDerWaalsContact O-CD2 3.31Å; S178-F182 WeakPolarHBondContact O-CD2 3.3Å; S178-F182 VanDerWaalsContact O-CG 3.23Å; S178-F182 WeakPolarHBondContact O-CG 3.36Å; S178-F182 PolarHBondContact O-N 2.92Å; F182-K184 VanDerWaalsContact C-N 3.3Å; F182-K184 PolarHBondContact O-N 3.4Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 VanDerWaalsContact O-C 3.22Å; F182-L185 WeakPolarHBondContact O-CA 3.43Å; F182-L185 PolarHBondContact O-N 3.49Å; F182-Q186 PolarHBondContact O-N 3.41Å; F182-Q186 VanDerWaalsContact O-N 3.16Å; F182-F187 HydrophobicContact CB-CB 3.78Å; F182-F187 HydrophobicContact CB-CD1 4.33Å; F182-F187 HydrophobicContact CB-CD2 3.91Å; F182-F187 HydrophobicContact CB-CG 3.77Å; F182-F187 HydrophobicContact CD1-CD2 4.4Å; F182-F187 HydrophobicContact CD1-CE2 4.23Å; F182-F187 HydrophobicContact CD1-CZ 4.4Å; F182-F187 HydrophobicContact CG-CD2 4.43Å; F182-F187 HydrophobicContact CG-CG 4.36Å; F182-F187 WeakPolarHBondContact O-CB 3.39Å; F182-F187 WeakPolarHBondContact O-CD2 3.32Å; F182-F187 PolarHBondContact O-N 3.14Å; F182-M218 HydrophobicContact CB-CE 4.12Å; F182-M218 HydrophobicContact CB-SD 3.89Å; F182-M218 HydrophobicContact CD2-SD 4.11Å
183S98.2Very high97.7Very high65 Ų6549.3 Ų49.346%0.45527%0.274SS..Hα-helixtrans-57.8-42.5172.8-58.50000111.9Q179 L181 L185 Q186Q179-S183 WeakPolarHBondContact O-CB 3.43Å; Q179-S183 PolarHBondContact O-N 2.74Å; Q179-S183 PolarHBondContact O-OG 3.06Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 2.82Å; S183-L185 PolarHBondContact O-N 2.9Å; S183-Q186 PolarHBondContact O-N 3.35Å; S183-Q186 VanDerWaalsContact O-N 3.12Å
184K98.1Very high97.7Very high159 Ų15952.8 Ų52.869%0.69129%0.292SS*.Hα-helixtrans-66.6-21.1174.8-70.8174.7179.9-1770113.4T180 L181 F182 Q186T180-K184 WeakPolarHBondContact O-CG 2.77Å; T180-K184 PolarHBondContact O-N 3.19Å; L181-K184 WeakPolarHBondContact O-CB 3.49Å; L181-K184 PolarHBondContact O-N 3.23Å; L181-K184 VanDerWaalsContact O-N 3.13Å; F182-K184 VanDerWaalsContact C-N 3.3Å; F182-K184 PolarHBondContact O-N 3.4Å; K184-Q186 VanDerWaalsContact C-N 3.34Å
185L97.8Very high97.8Very high13 Ų1351.8 Ų51.87%0.06829%0.285CS..THydrogen-bonded Turntrans-10123175.7-63.4177.2000112.2T154 E155 L181 F182 S183 F187 R220T154-L185 HydrophobicContact CG2-CD1 3.37Å; E155-L185 HydrophobicContact CG-CD1 4.48Å; E155-L185 HydrophobicContact CG-CD2 4.1Å; L181-L185 HydrophobicContact CD1-CD1 3.91Å; L181-L185 HydrophobicContact CD1-CG 4.31Å; L181-L185 HydrophobicContact CG-CD1 4.19Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-L185 VanDerWaalsContact O-N 3.09Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 VanDerWaalsContact O-C 3.22Å; F182-L185 WeakPolarHBondContact O-CA 3.43Å; F182-L185 PolarHBondContact O-N 3.49Å; S183-L185 PolarHBondContact O-N 2.9Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 HydrophobicContact CB-CD2 4.15Å; L185-F187 HydrophobicContact CB-CE2 4.23Å; L185-F187 PolarHBondContact O-N 3.28Å; L185-R220 WeakPolarHBondContact O-CD 3.1Å; L185-R220 PolarHBondContact O-NH1 2.84Å; L185-R220 VanDerWaalsContact O-NH1 3.13Å
186Q97.6Very high97.7Very high117 Ų11756.7 Ų56.755%0.54731%0.305SS..THydrogen-bonded Turntrans64.323.1173.3-56.8172.6-53.400114.8F182 S183 K184F182-Q186 PolarHBondContact O-N 3.41Å; F182-Q186 VanDerWaalsContact O-N 3.16Å; S183-Q186 PolarHBondContact O-N 3.35Å; S183-Q186 VanDerWaalsContact O-N 3.12Å; K184-Q186 VanDerWaalsContact C-N 3.34Å
187F98.2Very high97.6Very high10 Ų1057.8 Ų57.84%0.04432%0.315CS..  trans-71.1143.3164.2-69.6-118.1000110I135 I169 F182 L185 M218 Y219 R220I135-F187 HydrophobicContact CD1-CZ 4.33Å; I169-F187 HydrophobicContact CB-CE1 4.23Å; I169-F187 HydrophobicContact CB-CZ 4.08Å; I169-F187 HydrophobicContact CG2-CE1 3.9Å; I169-F187 HydrophobicContact CG2-CZ 3.6Å; F182-F187 HydrophobicContact CB-CB 3.78Å; F182-F187 HydrophobicContact CB-CD1 4.33Å; F182-F187 HydrophobicContact CB-CD2 3.91Å; F182-F187 HydrophobicContact CB-CG 3.77Å; F182-F187 HydrophobicContact CD1-CD2 4.4Å; F182-F187 HydrophobicContact CD1-CE2 4.23Å; F182-F187 HydrophobicContact CD1-CZ 4.4Å; F182-F187 HydrophobicContact CG-CD2 4.43Å; F182-F187 HydrophobicContact CG-CG 4.36Å; F182-F187 WeakPolarHBondContact O-CB 3.39Å; F182-F187 WeakPolarHBondContact O-CD2 3.32Å; F182-F187 PolarHBondContact O-N 3.14Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 HydrophobicContact CB-CD2 4.15Å; L185-F187 HydrophobicContact CB-CE2 4.23Å; L185-F187 PolarHBondContact O-N 3.28Å; F187-M218 HydrophobicContact CB-CB 4.1Å; F187-M218 HydrophobicContact CB-CE 4.1Å; F187-M218 HydrophobicContact CD1-CB 4.23Å; F187-Y219 CarbonylContact C-O 3.55Å; F187-Y219 VanDerWaalsContact CA-O 3.23Å; F187-Y219 WeakPolarHBondContact CA-O 3.41Å; F187-R220 HydrophobicContact CD1-CB 4.48Å; F187-R220 HydrophobicContact CD1-CG 4.01Å; F187-R220 HydrophobicContact CD2-CB 4.3Å; F187-R220 VanDerWaalsContact CD2-CD 3.48Å; F187-R220 HydrophobicContact CD2-CG 3.78Å; F187-R220 HydrophobicContact CE1-CG 3.91Å; F187-R220 HydrophobicContact CE2-CG 3.68Å; F187-R220 HydrophobicContact CG-CB 4.21Å; F187-R220 HydrophobicContact CG-CG 3.95Å; F187-R220 HydrophobicContact CZ-CG 3.75Å
188Q96.8Very high97.6Very high107 Ų10756.3 Ų56.350%0.530%0.297SS..EExtended strand (participates in β ladder)trans-110.6149177.1-59.9-179.8-7.100109.4M218 Y219Q188-M218 CarbonylContact O-C 3.47Å; Q188-M218 WeakPolarHBondContact O-CA 3.49Å; Q188-Y219 HydrophobicContact CB-CD1 4.13Å; Q188-Y219 HydrophobicContact CB-CE1 3.78Å; Q188-Y219 PolarHBondContact N-O 2.99Å; Q188-Y219 PolarHBondContact O-N 3.33Å; Q188-Y219 PolarHBondContact OE1-OH 3.29Å; Q188-Y219 VanDerWaalsContact OE1-OH 3.06Å
189D97.4Very high97.5Very high80 Ų8060.6 Ų60.643%0.42831%0.312SS..EExtended strand (participates in β ladder)trans-73.3133174.4-65.8-9.3000109.7K216 M218D189-K216 WeakPolarHBondContact OD1-CD 3.43Å; D189-K216 IonicContact OD1-NZ 2.79Å; D189-K216 IonicContact OD2-NZ 2.65Å; D189-K216 PolarHBondContact OD2-NZ 3.49Å; D189-M218 WeakPolarHBondContact OD1-CE 3.03Å
190V97.1Very high97.3Very high41 Ų4163.3 Ų63.325%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-95-52.4169.9178.40000110.1A121 A125 L217 Y219A121-V190 HydrophobicContact CB-CG1 4.13Å; A125-V190 HydrophobicContact CB-CG1 3.45Å; A125-V190 VanDerWaalsContact CB-CG1 3.45Å; A125-V190 HydrophobicContact CB-CG2 4.29Å; V190-L217 HydrophobicContact CB-CB 4.2Å; V190-L217 HydrophobicContact CB-CD2 3.75Å; V190-L217 HydrophobicContact CB-CG 3.88Å; V190-L217 HydrophobicContact CG1-CD2 3.73Å; V190-L217 HydrophobicContact CG1-CG 4.42Å; V190-L217 HydrophobicContact CG2-CD2 4.05Å; V190-L217 HydrophobicContact CG2-CG 4.01Å; V190-L217 PolarHBondContact N-O 3.23Å; V190-Y219 HydrophobicContact CG2-CD1 3.29Å; V190-Y219 HydrophobicContact CG2-CE1 3.98Å; V190-Y219 HydrophobicContact CG2-CG 3.98Å
191T97.9Very high97Very high54 Ų5465.1 Ų65.133%0.33134%0.338SS..EExtended strand (participates in β ladder)trans-157.6161.5-179.7-171.50000109L118 A121 K216 L217L118-T191 HydrophobicContact CD2-CG2 3.79Å; A121-T191 HydrophobicContact CB-CG2 3.46Å; A121-T191 VanDerWaalsContact CB-CG2 3.46Å; T191-K216 WeakPolarHBondContact O-CA 3.28Å; T191-L217 HydrophobicContact CG2-CB 3.95Å; T191-L217 HydrophobicContact CG2-CD2 4.43Å; T191-L217 PolarHBondContact O-N 3Å
192S98Very high96.8Very high51 Ų5166.8 Ų66.836%0.35736%0.36SS..EExtended strand (participates in β ladder)trans-141.7159.6173.872.40000112.2E214 C215S192-E214 WeakPolarHBondContact CB-OE2 3.28Å; S192-E214 PolarHBondContact OG-OE2 3.31Å; S192-C215 CarbonylContact C-O 3.56Å; S192-C215 WeakPolarHBondContact CA-O 3.28Å; S192-C215 WeakPolarHBondContact CB-O 3.47Å
193I98Very high96.7Very high24 Ų2471.9 Ų71.912%0.12339%0.392CS..EExtended strand (participates in β ladder)trans-120123.3173.9-70.4171.6000108.4L114 L117 L118 L195 Y198 E214 C215L114-I193 HydrophobicContact CD1-CB 4.36Å; L114-I193 HydrophobicContact CD1-CD1 3.49Å; L114-I193 VanDerWaalsContact CD1-CD1 3.49Å; L114-I193 HydrophobicContact CD1-CG2 4.08Å; L117-I193 HydrophobicContact CB-CD1 4.43Å; L117-I193 HydrophobicContact CD2-CD1 3.6Å; L117-I193 HydrophobicContact CG-CD1 3.94Å; L118-I193 HydrophobicContact CD1-CD1 4.37Å; L118-I193 HydrophobicContact CD2-CB 4.47Å; L118-I193 HydrophobicContact CD2-CD1 3.83Å; L118-I193 HydrophobicContact CD2-CG1 3.81Å; L118-I193 HydrophobicContact CG-CD1 3.74Å; L118-I193 HydrophobicContact CG-CG1 4.28Å; I193-L195 PolarHBondContact O-N 3.07Å; I193-Y198 HydrophobicContact CD1-CE2 4.46Å; I193-Y198 HydrophobicContact CG2-CD2 3.58Å; I193-Y198 HydrophobicContact CG2-CE2 4.37Å; I193-Y198 HydrophobicContact CG2-CG 3.77Å; I193-E214 CarbonylContact O-C 3.53Å; I193-E214 WeakPolarHBondContact O-CA 3.22Å; I193-E214 WeakPolarHBondContact O-CB 3.47Å; I193-C215 PolarHBondContact N-O 3Å; I193-C215 PolarHBondContact O-N 3.42Å
194D97.6Very high96.5Very high74 Ų7471.9 Ų71.940%0.39639%0.386SS..EExtended strand (participates in β ladder)trans-72.9113.3171.4-178.4-12.5000110.2K196 T197 Y198D194-K196 PolarHBondContact O-N 2.7Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 PolarHBondContact OD1-N 2.65Å; D194-T197 PolarHBondContact O-N 2.71Å; D194-T197 VanDerWaalsContact O-N 3.1Å; D194-T197 PolarHBondContact O-OG1 3.49Å; D194-T197 VanDerWaalsContact O-OG1 3.1Å; D194-Y198 PolarHBondContact O-N 2.69Å
195L97.3Very high96.4Very high1 Ų165.5 Ų65.51%0.00536%0.359CS..THydrogen-bonded Turntrans-66.9-22.9-174.8-61.9167.3000112.6L42 I193 T197 F206 T209 T212 K213 C215L42-L195 HydrophobicContact CD1-CD2 3.93Å; L42-L195 HydrophobicContact CD2-CD1 3.6Å; L42-L195 HydrophobicContact CD2-CD2 4.21Å; I193-L195 PolarHBondContact O-N 3.07Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-F206 HydrophobicContact CD2-CD2 3.62Å; L195-F206 HydrophobicContact CD2-CE2 4.11Å; L195-F206 HydrophobicContact CD2-CG 4.29Å; L195-T209 HydrophobicContact CD1-CG2 4.08Å; L195-T212 HydrophobicContact CD1-CG2 3.74Å; L195-K213 WeakPolarHBondContact CB-O 3.3Å; L195-K213 PolarHBondContact N-O 2.79Å; L195-C215 HydrophobicContact CD2-CB 4.19Å
196K95Very high96.4Very high143 Ų14365 Ų6562%0.62236%0.357SS*.THydrogen-bonded Turntrans-73.5-25.1175.9-65.1-174.9174.4-172.30112.7D194 I204D194-K196 PolarHBondContact O-N 2.7Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 PolarHBondContact OD1-N 2.65Å; K196-I204 WeakPolarHBondContact O-CD1 3.4Å
197T95.7Very high96.1Very high94 Ų9462.9 Ų62.958%0.57735%0.353SS*.THydrogen-bonded Turntrans-107.2-9.7-17864.30000113.5D194 L195 K199D194-T197 PolarHBondContact O-N 2.71Å; D194-T197 VanDerWaalsContact O-N 3.1Å; D194-T197 PolarHBondContact O-OG1 3.49Å; D194-T197 VanDerWaalsContact O-OG1 3.1Å; L195-T197 VanDerWaalsContact C-N 3.3Å; T197-K199 PolarHBondContact O-N 3.13Å
198Y97.2Very high95.8Very high30 Ų3069.5 Ų69.512%0.11838%0.383CS..  trans-71.9110.6-179.1-172-113.8000111.8L114 L117 I193 D194 P200 M205 F206L114-Y198 HydrophobicContact CB-CE1 4.27Å; L114-Y198 HydrophobicContact CD1-CD1 4.06Å; L114-Y198 HydrophobicContact CD1-CD2 4.39Å; L114-Y198 HydrophobicContact CD1-CE1 3.67Å; L114-Y198 HydrophobicContact CD1-CE2 4.04Å; L114-Y198 HydrophobicContact CD1-CG 4.4Å; L114-Y198 HydrophobicContact CG-CE1 4.48Å; L117-Y198 HydrophobicContact CD2-CE2 3.95Å; I193-Y198 HydrophobicContact CD1-CE2 4.46Å; I193-Y198 HydrophobicContact CG2-CD2 3.58Å; I193-Y198 HydrophobicContact CG2-CE2 4.37Å; I193-Y198 HydrophobicContact CG2-CG 3.77Å; D194-Y198 PolarHBondContact O-N 2.69Å; Y198-P200 HydrophobicContact CD1-CG 4.43Å; Y198-P200 HydrophobicContact CE1-CG 3.83Å; Y198-M205 HydrophobicContact CD1-CB 4.03Å; Y198-M205 HydrophobicContact CD1-SD 4.23Å; Y198-M205 HydrophobicContact CE1-CB 4.36Å; Y198-M205 HydrophobicContact CE1-SD 3.68Å; Y198-M205 PolarHBondContact O-N 3.24Å; Y198-M205 VanDerWaalsContact O-N 3.16Å; Y198-F206 HydrophobicContact CD1-CD2 4.06Å; Y198-F206 AromaticContact CD1-CE2 3.72Å; Y198-F206 HydrophobicContact CD1-CE2 3.72Å; Y198-F206 AromaticContact CE1-CE2 3.97Å; Y198-F206 HydrophobicContact CE1-CE2 3.97Å
199K96.3Very high95.7Very high111 Ų11165.2 Ų65.248%0.48337%0.365SS..  trans-137.169.2-172.9-62.4179.6178-176.80111.8T197 D201 G202 T203 I204T197-K199 PolarHBondContact O-N 3.13Å; K199-D201 PolarHBondContact O-N 2.91Å; K199-G202 PolarHBondContact O-N 3.49Å; K199-T203 VanDerWaalsContact CA-O 3.31Å; K199-T203 WeakPolarHBondContact CA-O 3.3Å; K199-I204 HydrophobicContact CD-CG1 4.38Å; K199-I204 VanDerWaalsContact CE-CG1 3.44Å; K199-I204 HydrophobicContact CG-CG1 4.12Å
200P93.8Very high95.5Very high63 Ų6364.9 Ų64.941%0.40938%0.38SS..THydrogen-bonded Turntrans-57.7-35.5-178.923-32.6000112.5Y198 M205Y198-P200 HydrophobicContact CD1-CG 4.43Å; Y198-P200 HydrophobicContact CE1-CG 3.83Å; P200-M205 HydrophobicContact CG-CB 4.27Å; P200-M205 HydrophobicContact CG-SD 4.02Å
201D92.3Very high95.4Very high106 Ų10669.8 Ų69.857%0.56741%0.405SS*.THydrogen-bonded Turntrans-110.824.9-178.8-51.5-28.3000112.5K110 K199 T203K110-D201 WeakPolarHBondContact CE-OD2 3.43Å; K110-D201 IonicContact NZ-OD2 3.52Å; K110-D201 PolarHBondContact NZ-OD2 2.65Å; K199-D201 PolarHBondContact O-N 2.91Å; D201-T203 PolarHBondContact O-N 2.94Å
202G94.4Very high95.3Very high58 Ų5867.3 Ų67.360%0.59839%0.39SS*.SBendtrans79-12.5-17800000115.8K199K199-G202 PolarHBondContact O-N 3.49Å
203T95.2Very high95.3Very high108 Ų10871.9 Ų71.966%0.66340%0.403SS*.SBendtrans-109148.9172.2-58.20000111K199 D201 M205K199-T203 VanDerWaalsContact CA-O 3.31Å; K199-T203 WeakPolarHBondContact CA-O 3.3Å; D201-T203 PolarHBondContact O-N 2.94Å; T203-M205 PolarHBondContact O-N 3.37Å; T203-M205 VanDerWaalsContact O-N 3.14Å
204I95.7Very high95.3Very high66 Ų6673.5 Ų73.534%0.33841%0.41SS..  trans-60.1117.8176.6-60.3177.5000108.4K196 K199K196-I204 WeakPolarHBondContact O-CD1 3.4Å; K199-I204 HydrophobicContact CD-CG1 4.38Å; K199-I204 VanDerWaalsContact CE-CG1 3.44Å; K199-I204 HydrophobicContact CG-CG1 4.12Å
205M95.9Very high95.3Very high25 Ų2570 Ų7012%0.12339%0.392CS..SBendtrans-70.5-35.6-177.2-177.5175.9171.600112.2I46 K110 Y198 P200 T203 P207I46-M205 HydrophobicContact CG2-CE 4.32Å; I46-M205 HydrophobicContact CG2-CG 4.34Å; I46-M205 WeakPolarHBondContact CG2-O 3.18Å; K110-M205 HydrophobicContact CB-CE 3.36Å; K110-M205 HydrophobicContact CB-SD 4.13Å; Y198-M205 HydrophobicContact CD1-CB 4.03Å; Y198-M205 HydrophobicContact CD1-SD 4.23Å; Y198-M205 HydrophobicContact CE1-CB 4.36Å; Y198-M205 HydrophobicContact CE1-SD 3.68Å; Y198-M205 PolarHBondContact O-N 3.24Å; Y198-M205 VanDerWaalsContact O-N 3.16Å; P200-M205 HydrophobicContact CG-CB 4.27Å; P200-M205 HydrophobicContact CG-SD 4.02Å; T203-M205 PolarHBondContact O-N 3.37Å; T203-M205 VanDerWaalsContact O-N 3.14Å; M205-P207 WeakPolarHBondContact O-CD 3.36Å
206F96.3Very high95.4Very high3 Ų371.2 Ų71.21%0.01340%0.397CS..  trans-121.576.1-175.4-51.9-75000111.8L42 A45 I46 M111 L114 L195 Y198 H208 T209L42-F206 HydrophobicContact CB-CD1 3.83Å; L42-F206 HydrophobicContact CB-CE1 3.75Å; L42-F206 HydrophobicContact CB-CZ 4.48Å; L42-F206 HydrophobicContact CD1-CD1 4.32Å; L42-F206 HydrophobicContact CD1-CD2 4.46Å; L42-F206 HydrophobicContact CD1-CE1 4.08Å; L42-F206 HydrophobicContact CD1-CE2 4.23Å; L42-F206 HydrophobicContact CD1-CG 4.5Å; L42-F206 HydrophobicContact CD1-CZ 4.01Å; L42-F206 HydrophobicContact CD2-CD1 4.5Å; L42-F206 HydrophobicContact CG-CD1 4.43Å; L42-F206 HydrophobicContact CG-CE1 4.46Å; A45-F206 HydrophobicContact CB-CB 3.91Å; A45-F206 HydrophobicContact CB-CD1 4.12Å; I46-F206 HydrophobicContact CG2-CD1 3.64Å; I46-F206 HydrophobicContact CG2-CE1 3.63Å; M111-F206 HydrophobicContact CE-CE1 3.93Å; M111-F206 HydrophobicContact CE-CZ 4.35Å; M111-F206 HydrophobicContact SD-CE1 4.41Å; M111-F206 HydrophobicContact SD-CZ 4.24Å; L114-F206 HydrophobicContact CD2-CE2 3.69Å; L114-F206 HydrophobicContact CD2-CZ 3.75Å; L195-F206 HydrophobicContact CD2-CD2 3.62Å; L195-F206 HydrophobicContact CD2-CE2 4.11Å; L195-F206 HydrophobicContact CD2-CG 4.29Å; Y198-F206 HydrophobicContact CD1-CD2 4.06Å; Y198-F206 AromaticContact CD1-CE2 3.72Å; Y198-F206 HydrophobicContact CD1-CE2 3.72Å; Y198-F206 AromaticContact CE1-CE2 3.97Å; Y198-F206 HydrophobicContact CE1-CE2 3.97Å; F206-H208 VanDerWaalsContact C-N 3.3Å; F206-H208 PolarHBondContact O-N 2.79Å; F206-T209 HydrophobicContact CB-CG2 3.55Å
207P92.1Very high95.5Very high71 Ų7164.4 Ų64.446%0.46137%0.367SS..SBendtrans-68.9-22.7-173.626.3-34.9000114.4M205M205-P207 WeakPolarHBondContact O-CD 3.36Å
208H91.2Very high95.7Very high149 Ų14959.9 Ų59.969%0.6934%0.34SS*.  trans-136.178.7-171.3-60.1-46.6000113.4F206F206-H208 VanDerWaalsContact C-N 3.3Å; F206-H208 PolarHBondContact O-N 2.79Å
209T94.7Very high95.7Very high18 Ų1860.7 Ų60.711%0.1134%0.343CS..  trans-105.911.3-175.756.80000113.8L42 A45 L195 F206 N211 T212L42-T209 HydrophobicContact CD2-CG2 3.56Å; A45-T209 HydrophobicContact CB-CG2 3.97Å; L195-T209 HydrophobicContact CD1-CG2 4.08Å; F206-T209 HydrophobicContact CB-CG2 3.55Å; T209-N211 PolarHBondContact O-N 3Å; T209-T212 VanDerWaalsContact CB-O 3.27Å; T209-T212 WeakPolarHBondContact CB-O 3.31Å; T209-T212 WeakPolarHBondContact O-CB 3.24Å; T209-T212 PolarHBondContact O-N 2.78Å; T209-T212 VanDerWaalsContact O-N 3.09Å; T209-T212 PolarHBondContact OG1-O 3.35Å
210G93.2Very high95.7Very high73 Ų7356.5 Ų56.575%0.75332%0.324SS*.THydrogen-bonded Turntrans58.8-122.7-177.900000112.2
211N95.3Very high95.9Very high143 Ų14355.9 Ų55.977%0.76532%0.32SS*.THydrogen-bonded Turntrans-84.3-9.7179.4-69.8-30.6000113.7I176 T209 K213I176-N211 HydrophobicContact CG2-CB 4.47Å; T209-N211 PolarHBondContact O-N 3Å; N211-K213 PolarHBondContact O-N 2.83Å
212T97Very high96.1Very high3 Ų350.8 Ų50.82%0.01829%0.293CS..  trans-77.9109.4176.6-59.90000108.9S174 I176 L195 T209S174-T212 WeakPolarHBondContact O-CG2 3.49Å; I176-T212 PolarHBondContact N-OG1 2.92Å; L195-T212 HydrophobicContact CD1-CG2 3.74Å; T209-T212 VanDerWaalsContact CB-O 3.27Å; T209-T212 WeakPolarHBondContact CB-O 3.31Å; T209-T212 WeakPolarHBondContact O-CB 3.24Å; T209-T212 PolarHBondContact O-N 2.78Å; T209-T212 VanDerWaalsContact O-N 3.09Å; T209-T212 PolarHBondContact OG1-O 3.35Å
213K97.4Very high96Very high147 Ų14753.9 Ų53.964%0.63929%0.294SS*.  trans-94-28.6-179.2-62.4178.9-176.4175.30113.3L195 N211L195-K213 WeakPolarHBondContact CB-O 3.3Å; L195-K213 PolarHBondContact N-O 2.79Å; N211-K213 PolarHBondContact O-N 2.83Å
214E97.9Very high95.4Very high57 Ų5751.7 Ų51.727%0.26628%0.28SS..EExtended strand (participates in β ladder)trans-139151.2-174.960-174.1159.100110.7Q179 S192 I193 K216Q179-E214 PolarHBondContact NE2-O 3.33Å; S192-E214 WeakPolarHBondContact CB-OE2 3.28Å; S192-E214 PolarHBondContact OG-OE2 3.31Å; I193-E214 CarbonylContact O-C 3.53Å; I193-E214 WeakPolarHBondContact O-CA 3.22Å; I193-E214 WeakPolarHBondContact O-CB 3.47Å; E214-K216 HydrophobicContact CG-CG 4.1Å; E214-K216 WeakPolarHBondContact OE1-CE 3.41Å; E214-K216 IonicContact OE1-NZ 3.34Å; E214-K216 PolarHBondContact OE1-NZ 3.08Å; E214-K216 VanDerWaalsContact OE1-NZ 3.08Å
215C98.1Very high94Very high1 Ų160.6 Ų60.61%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-101.8132.9166.2-1730000108.4L114 L118 V172 S174 S192 I193 L195L114-C215 HydrophobicContact CD2-CB 4.49Å; L118-C215 HydrophobicContact CD1-CB 3.99Å; L118-C215 WeakPolarHBondContact CD1-SG 3.36Å; V172-C215 VanDerWaalsContact CG1-SG 3.51Å; S174-C215 VanDerWaalsContact CA-SG 3.55Å; S192-C215 CarbonylContact C-O 3.56Å; S192-C215 WeakPolarHBondContact CA-O 3.28Å; S192-C215 WeakPolarHBondContact CB-O 3.47Å; I193-C215 PolarHBondContact N-O 3Å; I193-C215 PolarHBondContact O-N 3.42Å; L195-C215 HydrophobicContact CD2-CB 4.19Å
216K98.4Very high93.9Very high26 Ų2662.4 Ų62.411%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-118.8136.6-172.1-59-168.6173.2-164.10111.9V172 A173 Q179 D189 T191 E214 M218V172-K216 CarbonylContact C-O 3.52Å; V172-K216 WeakPolarHBondContact CA-O 3.37Å; A173-K216 PolarHBondContact N-O 3.48Å; A173-K216 PolarHBondContact O-N 2.92Å; Q179-K216 HydrophobicContact CG-CD 4.08Å; Q179-K216 HydrophobicContact CG-CG 4.28Å; D189-K216 WeakPolarHBondContact OD1-CD 3.43Å; D189-K216 IonicContact OD1-NZ 2.79Å; D189-K216 IonicContact OD2-NZ 2.65Å; D189-K216 PolarHBondContact OD2-NZ 3.49Å; T191-K216 WeakPolarHBondContact O-CA 3.28Å; E214-K216 HydrophobicContact CG-CG 4.1Å; E214-K216 WeakPolarHBondContact OE1-CE 3.41Å; E214-K216 IonicContact OE1-NZ 3.34Å; E214-K216 PolarHBondContact OE1-NZ 3.08Å; E214-K216 VanDerWaalsContact OE1-NZ 3.08Å; K216-M218 HydrophobicContact CB-CG 3.83Å
217L98.3Very high93.8Very high0 Ų065.5 Ų65.50%035%0.348CS..EExtended strand (participates in β ladder)trans-82.4120.7155.2175.765.5000107.6L118 A121 M122 V172 V190 T191L118-L217 HydrophobicContact CB-CB 4.26Å; L118-L217 VanDerWaalsContact O-CD2 3.29Å; L118-L217 WeakPolarHBondContact O-CD2 3.46Å; A121-L217 HydrophobicContact CB-CD2 4.3Å; M122-L217 HydrophobicContact CG-CD1 4.26Å; M122-L217 HydrophobicContact CG-CD2 3.46Å; M122-L217 VanDerWaalsContact CG-CD2 3.46Å; M122-L217 HydrophobicContact CG-CG 4.44Å; M122-L217 HydrophobicContact SD-CD1 4.46Å; V172-L217 HydrophobicContact CG2-CD1 4.12Å; V190-L217 HydrophobicContact CB-CB 4.2Å; V190-L217 HydrophobicContact CB-CD2 3.75Å; V190-L217 HydrophobicContact CB-CG 3.88Å; V190-L217 HydrophobicContact CG1-CD2 3.73Å; V190-L217 HydrophobicContact CG1-CG 4.42Å; V190-L217 HydrophobicContact CG2-CD2 4.05Å; V190-L217 HydrophobicContact CG2-CG 4.01Å; V190-L217 PolarHBondContact N-O 3.23Å; T191-L217 HydrophobicContact CG2-CB 3.95Å; T191-L217 HydrophobicContact CG2-CD2 4.43Å; T191-L217 PolarHBondContact O-N 3Å
218M98.5Very high93.9Very high0 Ų065.2 Ų65.20%034%0.341CS..EExtended strand (participates in β ladder)trans-120.3146.3176.8-56.7-175.98000110.4I170 S171 A173 Q179 F182 F187 Q188 D189 K216I170-M218 CarbonylContact C-O 3.55Å; I170-M218 VanDerWaalsContact CA-O 3.27Å; I170-M218 WeakPolarHBondContact CA-O 3.44Å; S171-M218 PolarHBondContact N-O 2.81Å; S171-M218 PolarHBondContact O-N 2.9Å; A173-M218 HydrophobicContact CB-CG 4.35Å; A173-M218 HydrophobicContact CB-SD 3.96Å; Q179-M218 HydrophobicContact CB-SD 4.27Å; Q179-M218 HydrophobicContact CG-SD 4.3Å; F182-M218 HydrophobicContact CB-CE 4.12Å; F182-M218 HydrophobicContact CB-SD 3.89Å; F182-M218 HydrophobicContact CD2-SD 4.11Å; F187-M218 HydrophobicContact CB-CB 4.1Å; F187-M218 HydrophobicContact CB-CE 4.1Å; F187-M218 HydrophobicContact CD1-CB 4.23Å; Q188-M218 CarbonylContact O-C 3.47Å; Q188-M218 WeakPolarHBondContact O-CA 3.49Å; D189-M218 WeakPolarHBondContact OD1-CE 3.03Å; K216-M218 HydrophobicContact CB-CG 3.83Å
219Y97.5Very high94.1Very high47 Ų4760.3 Ų60.318%0.18432%0.321CS..EExtended strand (participates in β ladder)trans-140.7160.1177.886.4-66.3000112.4L126 Y168 I169 F187 Q188 V190L126-Y219 HydrophobicContact CD2-CD2 3.51Å; L126-Y219 HydrophobicContact CD2-CE2 3.73Å; L126-Y219 HydrophobicContact CD2-CG 4.24Å; Y168-Y219 AromaticContact CD1-CD2 3.95Å; Y168-Y219 HydrophobicContact CD1-CD2 3.95Å; Y168-Y219 HydrophobicContact CD1-CE2 4.21Å; Y168-Y219 HydrophobicContact CE1-CD2 4.49Å; Y168-Y219 HydrophobicContact CE1-CE2 4.31Å; I169-Y219 CarbonylContact O-C 3.58Å; I169-Y219 WeakPolarHBondContact O-CA 3.39Å; F187-Y219 CarbonylContact C-O 3.55Å; F187-Y219 VanDerWaalsContact CA-O 3.23Å; F187-Y219 WeakPolarHBondContact CA-O 3.41Å; Q188-Y219 HydrophobicContact CB-CD1 4.13Å; Q188-Y219 HydrophobicContact CB-CE1 3.78Å; Q188-Y219 PolarHBondContact N-O 2.99Å; Q188-Y219 PolarHBondContact O-N 3.33Å; Q188-Y219 PolarHBondContact OE1-OH 3.29Å; Q188-Y219 VanDerWaalsContact OE1-OH 3.06Å; V190-Y219 HydrophobicContact CG2-CD1 3.29Å; V190-Y219 HydrophobicContact CG2-CE1 3.98Å; V190-Y219 HydrophobicContact CG2-CG 3.98Å
220R96.8Very high94Very high22 Ų2262.9 Ų62.98%0.08333%0.334CS..EExtended strand (participates in β ladder)trans-143.1153163.654.6171.7-79.4-171.7-12.8110.3Y168 I169 L185 F187 A222Y168-R220 CarbonylContact C-O 3.48Å; Y168-R220 VanDerWaalsContact CA-O 3.31Å; Y168-R220 WeakPolarHBondContact CA-O 3.5Å; I169-R220 HydrophobicContact CB-CG 3.88Å; I169-R220 HydrophobicContact CD1-CG 4.18Å; I169-R220 HydrophobicContact CG1-CG 4.44Å; I169-R220 PolarHBondContact N-O 3.49Å; I169-R220 PolarHBondContact O-N 3.05Å; L185-R220 WeakPolarHBondContact O-CD 3.1Å; L185-R220 PolarHBondContact O-NH1 2.84Å; L185-R220 VanDerWaalsContact O-NH1 3.13Å; F187-R220 HydrophobicContact CD1-CB 4.48Å; F187-R220 HydrophobicContact CD1-CG 4.01Å; F187-R220 HydrophobicContact CD2-CB 4.3Å; F187-R220 VanDerWaalsContact CD2-CD 3.48Å; F187-R220 HydrophobicContact CD2-CG 3.78Å; F187-R220 HydrophobicContact CE1-CG 3.91Å; F187-R220 HydrophobicContact CE2-CG 3.68Å; F187-R220 HydrophobicContact CG-CB 4.21Å; F187-R220 HydrophobicContact CG-CG 3.95Å; F187-R220 HydrophobicContact CZ-CG 3.75Å; R220-A222 PolarHBondContact NH2-O 2.8Å
221P97.4Very high94.1Very high50 Ų5062.3 Ų62.333%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-53.8139.6158-23.935.3000110.5I223P221-I223 WeakPolarHBondContact CB-O 3.5Å
222A96.6Very high94Very high0 Ų056.5 Ų56.50%027%0.273CS..SBendtrans-63.3-48.2177.400000110.3I162 C166 D167 I169 R220I162-A222 WeakPolarHBondContact CD1-O 3.31Å; I162-A222 HydrophobicContact CG1-CB 4.17Å; I162-A222 WeakPolarHBondContact CG1-O 3.35Å; C166-A222 WeakPolarHBondContact O-CB 3.4Å; D167-A222 PolarHBondContact O-N 3.24Å; I169-A222 HydrophobicContact CD1-CB 4.33Å; I169-A222 HydrophobicContact CG1-CB 4.22Å; R220-A222 PolarHBondContact NH2-O 2.8Å
223I92.5Very high93.8Very high122 Ų12260.6 Ų60.663%0.62629%0.293SS*.SBendtrans-94.5118.1170.9-56.7174.8000108I162 P221I162-I223 HydrophobicContact CG1-CG1 4.41Å; I162-I223 HydrophobicContact CG2-CG1 4.35Å; P221-I223 WeakPolarHBondContact CB-O 3.5Å
224V82.2Confident93.5Very high62 Ų6253.4 Ų53.438%0.37626%0.264SS..  trans-91.8125170.6-1760000106.8
225Q67.3Low93.1Very high254 Ų25453.1 Ų53.1100%1.18726%0.264SS*.  trans-71.60174.8-69-177.8-3.400111.4

Retrieved 225 of 225 residues in 139.6 ms (Link to these results)

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