A0A077Z170_TRITR Loading...

Protein phosphatase methylesterase 1

Demethylates proteins that have been reversibly carboxymethylated.

AlphaFold DB , UniProt , Accession A0A077Z170, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M43.8Very low40.4Very low247 Ų247132.2 Ų132.2100%1.21777%0.773SS**  089.60-71.8-179176.900107.9G3M1-G3 PolarHBondContact O-N 3.49Å
2S36.9Very low41.7Very low123 Ų123131 Ų13186%0.8677%0.773SS**  trans-83.3105.2178.729.90000109V4S2-V4 PolarHBondContact O-N 3.33Å
3G37.9Very low43.2Very low76 Ų76125.2 Ų125.278%0.78474%0.743SS**PPolyproline II helixtrans-68.7125.2175.400000110.9M1M1-G3 PolarHBondContact O-N 3.49Å
4V41.2Very low45Very low131 Ų131119.4 Ų119.479%0.79471%0.712SS**PPolyproline II helixtrans-66.8132.5172.8177.80000108.8S2 S6S2-V4 PolarHBondContact O-N 3.33Å; V4-S6 PolarHBondContact O-N 3.19Å
5P40Very low47.7Very low95 Ų95121.5 Ų121.562%0.61771%0.712SS**PPolyproline II helixtrans-71.7123.6172.214.8-6000109.2H7P5-H7 VanDerWaalsContact C-N 3.29Å; P5-H7 PolarHBondContact O-N 3.49Å
6S37.6Very low50.6Low111 Ų111123.3 Ų123.378%0.77670%0.703SS**  trans-7085.5173.461.70000109.9V4 T8V4-S6 PolarHBondContact O-N 3.19Å; S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.07Å; S6-T8 VanDerWaalsContact O-N 3.08Å
7H37.1Very low53.3Low162 Ų162117 Ų11775%0.7567%0.665SS**  trans-73.791.4161.8-77.7-65000108.5P5 K9P5-H7 VanDerWaalsContact C-N 3.29Å; P5-H7 PolarHBondContact O-N 3.49Å; H7-K9 VanDerWaalsContact C-N 3.29Å; H7-K9 PolarHBondContact O-N 2.92Å
8T38.7Very low55.7Low121 Ų121111.9 Ų111.974%0.74264%0.64SS**  trans-62.698.7157.244.20000106.9S6 D10S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.07Å; S6-T8 VanDerWaalsContact O-N 3.08Å; T8-D10 PolarHBondContact O-N 3.29Å
9K37.5Very low57.9Low197 Ų197109.1 Ų109.186%0.85763%0.626SS**  trans-58.7105.8166.8-79.8-178.9175.7178.30107H7 S11H7-K9 VanDerWaalsContact C-N 3.29Å; H7-K9 PolarHBondContact O-N 2.92Å; K9-S11 PolarHBondContact O-N 3.41Å
10D43.4Very low59.8Low136 Ų136105.1 Ų105.173%0.72760%0.604SS**  trans-53.8107.2164.4-80.2-41.1000107.4T8T8-D10 PolarHBondContact O-N 3.29Å
11S50.1Low61.6Low55 Ų55102.8 Ų102.839%0.38559%0.594SS.*  trans-62141.9-179.576.20000108.6K9 S13 S14K9-S11 PolarHBondContact O-N 3.41Å; S11-S13 PolarHBondContact O-N 3.21Å; S11-S13 PolarHBondContact OG-OG 3.19Å; S11-S14 VanDerWaalsContact O-CB 3.26Å; S11-S14 WeakPolarHBondContact O-CB 3.3Å; S11-S14 PolarHBondContact O-N 2.88Å
12P56.4Low64.1Low118 Ų11894.5 Ų94.577%0.76655%0.549SS*.Hα-helixtrans-56.5-17.3177.616.8-28.3000113.6
13S61.2Low67Low55 Ų5593.3 Ų93.339%0.38553%0.533SS..Hα-helixtrans-69.1-30172.579.20000114.1S11 Y17S11-S13 PolarHBondContact O-N 3.21Å; S11-S13 PolarHBondContact OG-OG 3.19Å; S13-Y17 VanDerWaalsContact O-CD2 3.32Å; S13-Y17 WeakPolarHBondContact O-CD2 3.37Å
14S68.9Low69.8Low44 Ų4493.8 Ų93.831%0.30852%0.523SS..Hα-helixtrans-63.8-45.3-179.9174.40000111S11 R16 Y17 A18S11-S14 VanDerWaalsContact O-CB 3.26Å; S11-S14 WeakPolarHBondContact O-CB 3.3Å; S11-S14 PolarHBondContact O-N 2.88Å; S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.31Å; S14-Y17 PolarHBondContact O-N 3.31Å; S14-A18 PolarHBondContact O-N 3.34Å
15Q84.7Confident72.5Confident152 Ų15289.1 Ų89.171%0.7149%0.492SS*.Hα-helixtrans-70.5-29.8-174.4-142161.6700112.8Y17 A18Q15-Y17 PolarHBondContact O-N 3.27Å; Q15-A18 WeakPolarHBondContact O-CB 3.22Å; Q15-A18 PolarHBondContact O-N 3.46Å
16R94.3Very high75.3Confident150 Ų15084.8 Ų84.857%0.56646%0.463SS*.Hα-helixtrans-61.8-31.8175.2179.5174.7176.5167-0.2112.7S14 V188 R192S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.31Å; R16-V188 HydrophobicContact CG-CG1 4.37Å; R16-R192 WeakPolarHBondContact O-CD 3.37Å
17Y96.5Very high78.1Confident16 Ų1684.7 Ų84.76%0.06345%0.454CS..THydrogen-bonded Turntrans-11013.6-178-56.2-64.2000112.8S13 S14 Q15 E173 I176 E177 V180 V188S13-Y17 VanDerWaalsContact O-CD2 3.32Å; S13-Y17 WeakPolarHBondContact O-CD2 3.37Å; S14-Y17 PolarHBondContact O-N 3.31Å; Q15-Y17 PolarHBondContact O-N 3.27Å; Y17-E173 WeakPolarHBondContact O-CA 3.45Å; Y17-I176 HydrophobicContact CD1-CG2 4.01Å; Y17-I176 HydrophobicContact CG-CG2 4.44Å; Y17-I176 WeakPolarHBondContact O-CD1 3.31Å; Y17-E177 HydrophobicContact CD1-CB 4.28Å; Y17-E177 HydrophobicContact CD2-CB 3.66Å; Y17-E177 HydrophobicContact CD2-CG 3.87Å; Y17-E177 HydrophobicContact CE2-CB 3.93Å; Y17-E177 HydrophobicContact CE2-CG 3.64Å; Y17-E177 HydrophobicContact CG-CB 3.83Å; Y17-E177 HydrophobicContact CG-CG 4.46Å; Y17-V180 HydrophobicContact CE1-CB 4.32Å; Y17-V180 HydrophobicContact CE1-CG2 4.28Å; Y17-V188 HydrophobicContact CD1-CG1 4.3Å; Y17-V188 HydrophobicContact CE1-CG1 4.32Å
18A96.7Very high80.9Confident25 Ų2580.5 Ų80.521%0.20744%0.435CS..  trans-60.9132.4175.100000110.7S14 Q15 R192S14-A18 PolarHBondContact O-N 3.34Å; Q15-A18 WeakPolarHBondContact O-CB 3.22Å; Q15-A18 PolarHBondContact O-N 3.46Å; A18-R192 PolarHBondContact O-NE 2.78Å; A18-R192 PolarHBondContact O-NH2 3.32Å
19P96.8Very high83.6Confident59 Ų5978.5 Ų78.538%0.38342%0.416SS..  trans-61.7145.4-178.825.7-34.1000111.6M172 E173 I176 R192 P196P19-M172 HydrophobicContact CB-CG 4.05Å; P19-M172 HydrophobicContact CG-CB 4.46Å; P19-M172 HydrophobicContact CG-CG 4.23Å; P19-E173 WeakPolarHBondContact CD-OE1 3.4Å; P19-I176 HydrophobicContact CB-CD1 3.91Å; P19-R192 WeakPolarHBondContact CA-O 3.37Å; P19-P196 HydrophobicContact CB-CG 3.94Å
20V97Very high86.1Confident29 Ų2973 Ų7318%0.17639%0.39CS..  trans-111.9139.7175.5177.10000109C24 Y25 R192 V193V20-C24 HydrophobicContact CG1-CB 3.93Å; V20-Y25 HydrophobicContact CG1-CE2 3.82Å; V20-R192 HydrophobicContact CB-CB 4.35Å; V20-R192 HydrophobicContact CG2-CB 3.95Å; V20-R192 PolarHBondContact N-O 3.02Å; V20-V193 HydrophobicContact CB-CB 4.39Å
21S96.4Very high88.3Confident57 Ų5770.1 Ų70.140%0.39938%0.377SS..  trans-77.4148.8-178.3177.50000111.7N23 C24S21-N23 WeakPolarHBondContact CB-OD1 3.37Å; S21-N23 PolarHBondContact O-N 3.03Å; S21-N23 PolarHBondContact OG-OD1 3.4Å; S21-C24 WeakPolarHBondContact O-CB 3.48Å; S21-C24 PolarHBondContact O-N 2.96Å; S21-C24 VanDerWaalsContact O-N 3.17Å
22W96.7Very high89.9Confident73 Ų7367.9 Ų67.928%0.27736%0.361SS..G310 helixtrans-58.7-29.2-179.564.3-94.6000113.1C24 Y25 F26 K29 Y43 L63W22-C24 PolarHBondContact O-N 3.07Å; W22-Y25 PolarHBondContact O-N 3.21Å; W22-F26 HydrophobicContact CB-CD2 4.45Å; W22-F26 HydrophobicContact CE3-CB 4.05Å; W22-F26 HydrophobicContact CZ3-CB 4.45Å; W22-F26 PolarHBondContact O-N 2.86Å; W22-K29 HydrophobicContact CD2-CB 4.02Å; W22-K29 HydrophobicContact CE3-CB 4.09Å; W22-K29 HydrophobicContact CH2-CB 3.69Å; W22-K29 HydrophobicContact CZ2-CB 3.58Å; W22-K29 HydrophobicContact CZ3-CB 3.95Å; W22-Y43 HydrophobicContact CB-CD1 4.03Å; W22-Y43 HydrophobicContact CB-CE1 3.78Å; W22-Y43 HydrophobicContact CD2-CD1 4.19Å; W22-Y43 HydrophobicContact CD2-CE1 4.14Å; W22-Y43 HydrophobicContact CE3-CD1 4.24Å; W22-Y43 HydrophobicContact CG-CD1 4.11Å; W22-Y43 AromaticContact CG-CE1 3.74Å; W22-Y43 HydrophobicContact CG-CE1 3.74Å; W22-L63 HydrophobicContact CB-CD2 3.53Å
23N97Very high91Very high98 Ų9867.9 Ų67.952%0.52435%0.354SS..G310 helixtrans-72.5-6-178.267.7-25.9000113.7S21S21-N23 WeakPolarHBondContact CB-OD1 3.37Å; S21-N23 PolarHBondContact O-N 3.03Å; S21-N23 PolarHBondContact OG-OD1 3.4Å
24C97.3Very high91.7Very high86 Ų8666.2 Ų66.258%0.58134%0.341SS*.G310 helixtrans-73.6-19.9165.7-61.70000112.1V20 S21 W22V20-C24 HydrophobicContact CG1-CB 3.93Å; S21-C24 WeakPolarHBondContact O-CB 3.48Å; S21-C24 PolarHBondContact O-N 2.96Å; S21-C24 VanDerWaalsContact O-N 3.17Å; W22-C24 PolarHBondContact O-N 3.07Å
25Y98.2Very high92Very high32 Ų3269.4 Ų69.413%0.12536%0.361CS..THydrogen-bonded Turntrans-120.6-34.1-172.3-64.1-85.2000113.5V20 W22 K45 A66 T69 E189 V193V20-Y25 HydrophobicContact CG1-CE2 3.82Å; W22-Y25 PolarHBondContact O-N 3.21Å; Y25-K45 WeakPolarHBondContact O-CD 3.28Å; Y25-K45 PolarHBondContact O-NZ 3.33Å; Y25-A66 HydrophobicContact CD1-CB 4.22Å; Y25-A66 VanDerWaalsContact CD1-O 3.3Å; Y25-A66 WeakPolarHBondContact CD1-O 3.42Å; Y25-A66 HydrophobicContact CD2-CB 3.99Å; Y25-A66 HydrophobicContact CG-CB 3.74Å; Y25-T69 PolarHBondContact O-OG1 3.11Å; Y25-T69 VanDerWaalsContact O-OG1 3.13Å; Y25-E189 WeakPolarHBondContact CE1-OE1 3.45Å; Y25-E189 WeakPolarHBondContact OH-CG 3.48Å; Y25-E189 PolarHBondContact OH-OE1 3.16Å; Y25-V193 HydrophobicContact CD2-CB 4.16Å; Y25-V193 HydrophobicContact CD2-CG1 4.23Å; Y25-V193 HydrophobicContact CD2-CG2 3.73Å; Y25-V193 HydrophobicContact CE2-CB 3.83Å; Y25-V193 HydrophobicContact CE2-CG1 3.86Å; Y25-V193 HydrophobicContact CE2-CG2 3.93Å
26F97.9Very high91.3Very high4 Ų468.1 Ų68.12%0.01835%0.354CS..  trans-114.4150.8-179.7-59-86.8000111.5W22 Y43 K45 L63 A66 T69 V79 A81W22-F26 HydrophobicContact CB-CD2 4.45Å; W22-F26 HydrophobicContact CE3-CB 4.05Å; W22-F26 HydrophobicContact CZ3-CB 4.45Å; W22-F26 PolarHBondContact O-N 2.86Å; F26-Y43 HydrophobicContact CD2-CD1 4.13Å; F26-Y43 HydrophobicContact CD2-CG 4.24Å; F26-Y43 HydrophobicContact CE2-CD1 4.47Å; F26-Y43 HydrophobicContact CE2-CG 4.27Å; F26-K45 HydrophobicContact CD1-CB 4.35Å; F26-L63 HydrophobicContact CE2-CD2 4.25Å; F26-A66 HydrophobicContact CE2-CB 3.84Å; F26-A66 HydrophobicContact CZ-CB 4.41Å; F26-T69 HydrophobicContact CD1-CG2 3.67Å; F26-T69 HydrophobicContact CE1-CG2 3.33Å; F26-T69 HydrophobicContact CG-CG2 4.4Å; F26-T69 HydrophobicContact CZ-CG2 3.82Å; F26-V79 HydrophobicContact CE1-CG1 4.34Å; F26-A81 HydrophobicContact CE1-CB 3.94Å; F26-A81 HydrophobicContact CZ-CB 4.02Å
27D97.3Very high89.9Confident110 Ų11067.3 Ų67.359%0.58836%0.362SS*.SBendtrans-77.1-35.5179.8-57.1-29.4000111.3T44 K45 G46D27-T44 PolarHBondContact N-O 3.5Å; D27-K45 VanDerWaalsContact OD2-CA 3.29Å; D27-K45 WeakPolarHBondContact OD2-CA 3.28Å; D27-G46 PolarHBondContact OD2-N 3.11Å
28E96.2Very high88.7Confident73 Ų7366.7 Ų66.734%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-146.4149-175.7-164.9-178.2173.400112.3R30 Y43 T44E28-R30 HydrophobicContact CG-CG 4.18Å; E28-R30 VanDerWaalsContact OE1-CG 3.32Å; E28-R30 WeakPolarHBondContact OE1-CG 3.35Å; E28-R30 IonicContact OE1-CZ 2.57Å; E28-R30 IonicContact OE1-NE 3.58Å; E28-R30 PolarHBondContact OE1-NE 3.46Å; E28-R30 IonicContact OE1-NH2 2.77Å; E28-R30 PolarHBondContact OE1-NH2 3.1Å; E28-R30 IonicContact OE2-CZ 3.51Å; E28-R30 VanDerWaalsContact OE2-CZ 3.31Å; E28-R30 IonicContact OE2-NE 2.93Å; E28-R30 PolarHBondContact OE2-NE 3.31Å; E28-R30 VanDerWaalsContact OE2-NE 3.14Å; E28-R30 IonicContact OE2-NH2 3.51Å; E28-R30 PolarHBondContact OE2-NH2 3.11Å; E28-Y43 WeakPolarHBondContact O-CA 3.37Å; E28-T44 PolarHBondContact N-O 3.36Å; E28-T44 PolarHBondContact O-N 3.2Å
29K94.3Very high87.8Confident79 Ų7973.3 Ų73.334%0.34338%0.379SS..EExtended strand (participates in β ladder)trans-120.2121.8166-179.7-169.6179-177.60109.5W22 V42 Y43W22-K29 HydrophobicContact CD2-CB 4.02Å; W22-K29 HydrophobicContact CE3-CB 4.09Å; W22-K29 HydrophobicContact CH2-CB 3.69Å; W22-K29 HydrophobicContact CZ2-CB 3.58Å; W22-K29 HydrophobicContact CZ3-CB 3.95Å; K29-V42 CarbonylContact C-O 3.43Å; K29-V42 VanDerWaalsContact CA-O 3.31Å; K29-V42 WeakPolarHBondContact CA-O 3.26Å; K29-Y43 HydrophobicContact CB-CD1 4.01Å; K29-Y43 HydrophobicContact CB-CE1 4.09Å; K29-Y43 HydrophobicContact CD-CD1 4.37Å; K29-Y43 HydrophobicContact CD-CE1 3.61Å; K29-Y43 HydrophobicContact CG-CD1 3.93Å; K29-Y43 HydrophobicContact CG-CE1 3.64Å
30R90.9Very high87.1Confident83 Ų8370.5 Ų70.531%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-112.5144.9173.5-64.4-173.7-175.4161.715111.3E28 N41 V42 F105 V106E28-R30 HydrophobicContact CG-CG 4.18Å; E28-R30 VanDerWaalsContact OE1-CG 3.32Å; E28-R30 WeakPolarHBondContact OE1-CG 3.35Å; E28-R30 IonicContact OE1-CZ 2.57Å; E28-R30 IonicContact OE1-NE 3.58Å; E28-R30 PolarHBondContact OE1-NE 3.46Å; E28-R30 IonicContact OE1-NH2 2.77Å; E28-R30 PolarHBondContact OE1-NH2 3.1Å; E28-R30 IonicContact OE2-CZ 3.51Å; E28-R30 VanDerWaalsContact OE2-CZ 3.31Å; E28-R30 IonicContact OE2-NE 2.93Å; E28-R30 PolarHBondContact OE2-NE 3.31Å; E28-R30 VanDerWaalsContact OE2-NE 3.14Å; E28-R30 IonicContact OE2-NH2 3.51Å; E28-R30 PolarHBondContact OE2-NH2 3.11Å; R30-N41 CarbonylContact O-C 3.57Å; R30-N41 WeakPolarHBondContact O-CA 3.11Å; R30-V42 PolarHBondContact N-O 2.8Å; R30-V42 PolarHBondContact O-N 3.01Å; R30-F105 PolarHBondContact NH1-O 3.41Å; R30-F105 VanDerWaalsContact NH1-O 3.1Å; R30-V106 PolarHBondContact NH1-O 2.79Å; R30-V106 VanDerWaalsContact NH1-O 3.08Å
31T89.1Confident86.7Confident74 Ų7470.8 Ų70.845%0.45436%0.361SS..EExtended strand (participates in β ladder)trans-106.3113167.4-56.70000108.3R39 F40 N41T31-R39 HydrophobicContact CG2-CG 3.47Å; T31-R39 VanDerWaalsContact CG2-CG 3.47Å; T31-F40 CarbonylContact C-O 3.58Å; T31-F40 WeakPolarHBondContact CA-O 3.43Å; T31-N41 PolarHBondContact OG1-OD1 2.99Å
32I83.3Confident86.5Confident9 Ų968 Ų685%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-100.1127.2-178.3-59.9160.8000108.4L34 R39 F40 V42 P102 F105 V106I32-L34 HydrophobicContact CG2-CD2 3.73Å; I32-L34 HydrophobicContact CG2-CG 4.19Å; I32-R39 CarbonylContact O-C 3.55Å; I32-R39 WeakPolarHBondContact O-CA 3.43Å; I32-F40 PolarHBondContact N-O 3.23Å; I32-F40 PolarHBondContact O-N 2.76Å; I32-V42 HydrophobicContact CD1-CB 4.32Å; I32-V42 HydrophobicContact CD1-CG2 3.46Å; I32-V42 VanDerWaalsContact CD1-CG2 3.46Å; I32-V42 HydrophobicContact CG1-CG2 4.47Å; I32-P102 HydrophobicContact CD1-CB 3.74Å; I32-F105 HydrophobicContact CD1-CB 3.65Å; I32-F105 HydrophobicContact CD1-CG 4.39Å; I32-F105 HydrophobicContact CG1-CB 3.81Å; I32-F105 HydrophobicContact CG1-CG 4.36Å; I32-F105 HydrophobicContact CG2-CB 3.96Å; I32-F105 HydrophobicContact CG2-CD1 3.85Å; I32-F105 HydrophobicContact CG2-CD2 3.71Å; I32-F105 HydrophobicContact CG2-CE1 4.26Å; I32-F105 HydrophobicContact CG2-CE2 4.17Å; I32-F105 HydrophobicContact CG2-CG 3.55Å; I32-F105 HydrophobicContact CG2-CZ 4.42Å; I32-V106 HydrophobicContact CD1-CG1 4.17Å
33N81.1Confident86.4Confident118 Ų11865 Ų6563%0.63133%0.33SS*.EExtended strand (participates in β ladder)trans-104.2114.7173.8-59-58.9000108.8R39N33-R39 WeakPolarHBondContact OD1-CG 3.31Å
34L75.1Confident86.4Confident19 Ų1960.5 Ų60.510%0.09931%0.307CS..EExtended strand (participates in β ladder)trans-101.8163.3171-49.1178.4000110.3I32 N38 F40 A101 F105I32-L34 HydrophobicContact CG2-CD2 3.73Å; I32-L34 HydrophobicContact CG2-CG 4.19Å; L34-N38 HydrophobicContact CB-CB 3.63Å; L34-N38 HydrophobicContact CD1-CB 4.48Å; L34-N38 HydrophobicContact CG-CB 4.4Å; L34-N38 PolarHBondContact N-O 3.31Å; L34-N38 PolarHBondContact O-N 3.4Å; L34-F40 HydrophobicContact CD1-CD2 3.88Å; L34-F40 HydrophobicContact CD1-CE2 3.59Å; L34-F40 HydrophobicContact CG-CD2 4.19Å; L34-F40 HydrophobicContact CG-CE2 4.25Å; L34-A101 HydrophobicContact CD1-CB 3.39Å; L34-F105 HydrophobicContact CD2-CD2 3.91Å; L34-F105 HydrophobicContact CD2-CE1 4.28Å; L34-F105 HydrophobicContact CD2-CE2 3.12Å; L34-F105 HydrophobicContact CD2-CZ 3.34Å
35P74.1Confident86.4Confident112 Ų11258.5 Ų58.573%0.72729%0.288SS*.THydrogen-bonded Turntrans-53.2157.3173.7-25.734.9000113.3N38P35-N38 WeakPolarHBondContact O-CB 3.25Å; P35-N38 PolarHBondContact O-ND2 3.05Å
36E70.7Confident86.2Confident124 Ų12458.2 Ų58.258%0.57930%0.295SS*.THydrogen-bonded Turntrans62.340.8-176.4-53.3-175.3-156.200115.2N38 R85 R91E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.12Å; E36-R85 PolarHBondContact O-NH2 2.84Å; E36-R91 IonicContact OE2-CZ 3.49Å; E36-R91 IonicContact OE2-NH1 3.52Å; E36-R91 PolarHBondContact OE2-NH1 3.34Å; E36-R91 IonicContact OE2-NH2 3.39Å; E36-R91 PolarHBondContact OE2-NH2 2.94Å
37D65.3Low85.8Confident134 Ų13462.6 Ų62.672%0.71733%0.326SS*.THydrogen-bonded Turntrans54.548.3176.5-166.927.9000112.1R85D37-R85 PolarHBondContact O-NH2 2.92Å
38N71Confident85.5Confident2 Ų262.6 Ų62.61%0.01133%0.326CS..EExtended strand (participates in β ladder)trans-104.182.6-177-94.2-55000108.7L34 P35 E36 F40 R85L34-N38 HydrophobicContact CB-CB 3.63Å; L34-N38 HydrophobicContact CD1-CB 4.48Å; L34-N38 HydrophobicContact CG-CB 4.4Å; L34-N38 PolarHBondContact N-O 3.31Å; L34-N38 PolarHBondContact O-N 3.4Å; P35-N38 WeakPolarHBondContact O-CB 3.25Å; P35-N38 PolarHBondContact O-ND2 3.05Å; E36-N38 VanDerWaalsContact C-N 3.3Å; E36-N38 PolarHBondContact O-N 3.12Å; N38-F40 HydrophobicContact CB-CE2 3.88Å; N38-R85 VanDerWaalsContact CG-CZ 3.45Å; N38-R85 WeakPolarHBondContact OD1-CD 3.33Å; N38-R85 PolarHBondContact OD1-NE 3.49Å; N38-R85 PolarHBondContact OD1-NH1 2.97Å; N38-R85 PolarHBondContact OD1-NH2 3.16Å; N38-R85 VanDerWaalsContact OD1-NH2 3.1Å
39R78Confident85.3Confident165 Ų16561.2 Ų61.262%0.62333%0.331SS*.EExtended strand (participates in β ladder)trans-92.9124.4176.1-166.1172.578176.30.9111.3T31 I32 N33T31-R39 HydrophobicContact CG2-CG 3.47Å; T31-R39 VanDerWaalsContact CG2-CG 3.47Å; I32-R39 CarbonylContact O-C 3.55Å; I32-R39 WeakPolarHBondContact O-CA 3.43Å; N33-R39 WeakPolarHBondContact OD1-CG 3.31Å
40F81.1Confident85.4Confident0 Ų057.6 Ų57.60%032%0.316CS..EExtended strand (participates in β ladder)trans-119.5132.3177.3-65.9-90.1000109.9T31 I32 L34 N38 V82 D83 R85 H98 P102T31-F40 CarbonylContact C-O 3.58Å; T31-F40 WeakPolarHBondContact CA-O 3.43Å; I32-F40 PolarHBondContact N-O 3.23Å; I32-F40 PolarHBondContact O-N 2.76Å; L34-F40 HydrophobicContact CD1-CD2 3.88Å; L34-F40 HydrophobicContact CD1-CE2 3.59Å; L34-F40 HydrophobicContact CG-CD2 4.19Å; L34-F40 HydrophobicContact CG-CE2 4.25Å; N38-F40 HydrophobicContact CB-CE2 3.88Å; F40-V82 HydrophobicContact CD1-CG1 3.9Å; F40-D83 WeakPolarHBondContact CD1-O 3.14Å; F40-R85 HydrophobicContact CZ-CG 4.48Å; F40-H98 HydrophobicContact CZ-CB 4.07Å; F40-P102 HydrophobicContact CB-CG 4.18Å; F40-P102 HydrophobicContact CD1-CG 4.21Å; F40-P102 HydrophobicContact CD2-CG 4.42Å; F40-P102 HydrophobicContact CG-CG 4.01Å
41N89.8Confident85.6Confident34 Ų3453.7 Ų53.718%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-87.3142.6159.1-57.6-50.5000108.5R30 T31 Y43 D83R30-N41 CarbonylContact O-C 3.57Å; R30-N41 WeakPolarHBondContact O-CA 3.11Å; T31-N41 PolarHBondContact OG1-OD1 2.99Å; N41-Y43 HydrophobicContact CB-CE2 4.18Å; N41-D83 HydrophobicContact CB-CB 4.08Å; N41-D83 WeakPolarHBondContact CB-OD2 3.13Å; N41-D83 PolarHBondContact ND2-OD2 3.2Å; N41-D83 PolarHBondContact O-N 3.48Å
42V91.9Very high86Confident0 Ų050.2 Ų50.20%028%0.28CS..EExtended strand (participates in β ladder)trans-133136.6173.5-170.60000109.2K29 R30 I32 T44 V80 A81 V82 P102 V106K29-V42 CarbonylContact C-O 3.43Å; K29-V42 VanDerWaalsContact CA-O 3.31Å; K29-V42 WeakPolarHBondContact CA-O 3.26Å; R30-V42 PolarHBondContact N-O 2.8Å; R30-V42 PolarHBondContact O-N 3.01Å; I32-V42 HydrophobicContact CD1-CB 4.32Å; I32-V42 HydrophobicContact CD1-CG2 3.46Å; I32-V42 VanDerWaalsContact CD1-CG2 3.46Å; I32-V42 HydrophobicContact CG1-CG2 4.47Å; V42-T44 HydrophobicContact CG1-CG2 3.97Å; V42-V80 HydrophobicContact CG1-CG1 3.36Å; V42-A81 WeakPolarHBondContact CA-O 3.46Å; V42-V82 HydrophobicContact CG1-CG2 4.3Å; V42-V82 HydrophobicContact CG2-CG2 4.28Å; V42-P102 HydrophobicContact CG2-CB 3.74Å; V42-P102 HydrophobicContact CG2-CG 4.44Å; V42-V106 HydrophobicContact CB-CG1 4.15Å; V42-V106 HydrophobicContact CG1-CG1 3.76Å; V42-V106 HydrophobicContact CG2-CG1 4.46Å
43Y95.2Very high86.6Confident9 Ų949.8 Ų49.84%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-113.7129.5176.9-57.4-92.8000108.2W22 F26 E28 K29 N41 L63 A81W22-Y43 HydrophobicContact CB-CD1 4.03Å; W22-Y43 HydrophobicContact CB-CE1 3.78Å; W22-Y43 HydrophobicContact CD2-CD1 4.19Å; W22-Y43 HydrophobicContact CD2-CE1 4.14Å; W22-Y43 HydrophobicContact CE3-CD1 4.24Å; W22-Y43 HydrophobicContact CG-CD1 4.11Å; W22-Y43 AromaticContact CG-CE1 3.74Å; W22-Y43 HydrophobicContact CG-CE1 3.74Å; F26-Y43 HydrophobicContact CD2-CD1 4.13Å; F26-Y43 HydrophobicContact CD2-CG 4.24Å; F26-Y43 HydrophobicContact CE2-CD1 4.47Å; F26-Y43 HydrophobicContact CE2-CG 4.27Å; E28-Y43 WeakPolarHBondContact O-CA 3.37Å; K29-Y43 HydrophobicContact CB-CD1 4.01Å; K29-Y43 HydrophobicContact CB-CE1 4.09Å; K29-Y43 HydrophobicContact CD-CD1 4.37Å; K29-Y43 HydrophobicContact CD-CE1 3.61Å; K29-Y43 HydrophobicContact CG-CD1 3.93Å; K29-Y43 HydrophobicContact CG-CE1 3.64Å; N41-Y43 HydrophobicContact CB-CE2 4.18Å; Y43-L63 HydrophobicContact CD1-CD2 3.89Å; Y43-L63 HydrophobicContact CD2-CD2 4.37Å; Y43-L63 HydrophobicContact CE1-CD2 3.46Å; Y43-L63 VanDerWaalsContact CE1-CD2 3.46Å; Y43-L63 HydrophobicContact CE1-CG 4.37Å; Y43-L63 HydrophobicContact CE2-CD2 4.02Å; Y43-L63 HydrophobicContact CE2-CG 4.25Å; Y43-L63 HydrophobicContact CG-CD2 4.31Å; Y43-A81 PolarHBondContact N-O 3.28Å; Y43-A81 PolarHBondContact O-N 3.33Å
44T96.3Very high87.4Confident4 Ų444.1 Ų44.13%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-127145-173.363.30000112.5D27 E28 V42 Y78 V79 V80 V106D27-T44 PolarHBondContact N-O 3.5Å; E28-T44 PolarHBondContact N-O 3.36Å; E28-T44 PolarHBondContact O-N 3.2Å; V42-T44 HydrophobicContact CG1-CG2 3.97Å; T44-Y78 HydrophobicContact CG2-CE2 4.24Å; T44-V79 WeakPolarHBondContact CA-O 3.31Å; T44-V80 HydrophobicContact CG2-CG1 4.48Å; T44-V80 HydrophobicContact CG2-CG2 4.24Å; T44-V106 HydrophobicContact CG2-CB 4.25Å; T44-V106 HydrophobicContact CG2-CG1 4.07Å
45K96.6Very high88.3Confident43 Ų4343.2 Ų43.219%0.18724%0.243CC..EExtended strand (participates in β ladder)trans-143.3139.1173.2177.4151.3156.2-1760112Y25 F26 D27 T69 T72 V79Y25-K45 WeakPolarHBondContact O-CD 3.28Å; Y25-K45 PolarHBondContact O-NZ 3.33Å; F26-K45 HydrophobicContact CD1-CB 4.35Å; D27-K45 VanDerWaalsContact OD2-CA 3.29Å; D27-K45 WeakPolarHBondContact OD2-CA 3.28Å; K45-T69 HydrophobicContact CB-CG2 4.48Å; K45-T69 HydrophobicContact CD-CG2 4.36Å; K45-T69 PolarHBondContact NZ-OG1 3.03Å; K45-T69 VanDerWaalsContact NZ-OG1 3.1Å; K45-T72 VanDerWaalsContact CE-OG1 3.25Å; K45-T72 WeakPolarHBondContact CE-OG1 3.15Å; K45-T72 HydrophobicContact CG-CG2 4.02Å; K45-V79 HydrophobicContact CB-CB 4.33Å; K45-V79 PolarHBondContact N-O 3.06Å; K45-V79 PolarHBondContact O-N 2.86Å
46G94.1Very high89.3Confident27 Ų2738 Ų3828%0.27821%0.208SC..  trans75.5178.8-168.700000111.5D27 Y78D27-G46 PolarHBondContact OD2-N 3.11Å; G46-Y78 WeakPolarHBondContact O-CD2 3.34Å; G46-Y78 WeakPolarHBondContact O-CE2 3.39Å
47S90.6Very high90.3Very high95 Ų9532 Ų3266%0.66418%0.181SC*.SBendtrans-151.68.4-177.960.40000114.2
48D90.3Very high91.5Very high110 Ų11026.1 Ų26.159%0.58815%0.151SC*.SBendtrans-146.3164.1-174.2-156.36.8000112.4T76 C77 Y78D48-T76 HydrophobicContact CB-CG2 4.28Å; D48-C77 CarbonylContact O-C 3.55Å; D48-C77 WeakPolarHBondContact O-CA 3.42Å; D48-C77 PolarHBondContact O-N 2.65Å; D48-Y78 PolarHBondContact O-N 3.31Å
49G93.2Very high92.4Very high44 Ų4426.3 Ų26.345%0.45415%0.154SC..SBendtrans80.2-156.8-178.700000114
50V95.3Very high93.1Very high4 Ų419.5 Ų19.52%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-67136.8179.3620000110.9L52 C77 Y78 V115 L295 L300 A301V50-L52 HydrophobicContact CG1-CD2 4.12Å; V50-C77 HydrophobicContact CG1-CB 3.86Å; V50-C77 CarbonylContact O-C 3.58Å; V50-C77 WeakPolarHBondContact O-CA 3.32Å; V50-C77 WeakPolarHBondContact O-CB 3.34Å; V50-Y78 PolarHBondContact O-N 3.17Å; V50-V115 HydrophobicContact CG2-CB 4.5Å; V50-V115 HydrophobicContact CG2-CG2 3.79Å; V50-L295 HydrophobicContact CG1-CD1 4.26Å; V50-L295 HydrophobicContact CG1-CD2 4.2Å; V50-L300 WeakPolarHBondContact CB-O 3.43Å; V50-A301 HydrophobicContact CG1-CB 3.88Å
51L96.3Very high93.7Very high1 Ų119.6 Ų19.61%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-81.1125173.8-174.7154.4000109.9L53 Y78 V80 I103 I111 S113 I114 V115L51-L53 HydrophobicContact CD2-CB 3.73Å; L51-Y78 CarbonylContact C-O 3.55Å; L51-Y78 VanDerWaalsContact CA-O 3.3Å; L51-Y78 WeakPolarHBondContact CA-O 3.5Å; L51-Y78 HydrophobicContact CD1-CD1 3.9Å; L51-Y78 HydrophobicContact CD1-CE1 4.21Å; L51-Y78 HydrophobicContact CG-CD1 4.23Å; L51-V80 HydrophobicContact CD1-CG2 3.8Å; L51-V80 HydrophobicContact CD2-CB 4.35Å; L51-V80 HydrophobicContact CD2-CG2 4.25Å; L51-V80 HydrophobicContact CG-CG2 3.88Å; L51-I103 HydrophobicContact CD1-CG2 3.98Å; L51-I103 HydrophobicContact CD2-CG1 4.48Å; L51-I111 HydrophobicContact CB-CG2 3.77Å; L51-I111 HydrophobicContact CD1-CD1 3.38Å; L51-I111 HydrophobicContact CD1-CG1 4.16Å; L51-I111 HydrophobicContact CD1-CG2 4.28Å; L51-S113 PolarHBondContact N-O 3.43Å; L51-I114 HydrophobicContact CB-CG1 4.27Å; L51-I114 HydrophobicContact CD2-CG1 4.39Å; L51-I114 HydrophobicContact CD2-CG2 3.91Å; L51-I114 CarbonylContact O-C 3.59Å; L51-I114 WeakPolarHBondContact O-CA 3.5Å; L51-V115 PolarHBondContact O-N 3.21Å
52L97.3Very high94Very high0 Ų018 Ų180%012%0.12CC..EExtended strand (participates in β ladder)trans-99.5106.2170.4-52.9-174.7000108.9V50 L54 F68 I71 C77 Y78 V79 V80 V115 L295V50-L52 HydrophobicContact CG1-CD2 4.12Å; L52-L54 HydrophobicContact CB-CD2 3.82Å; L52-F68 HydrophobicContact CD1-CE1 4.39Å; L52-F68 HydrophobicContact CD1-CZ 4.4Å; L52-I71 HydrophobicContact CD1-CD1 3.93Å; L52-I71 HydrophobicContact CD1-CG2 4.26Å; L52-C77 HydrophobicContact CD1-CB 4.18Å; L52-C77 HydrophobicContact CG-CB 4.16Å; L52-Y78 PolarHBondContact N-O 3.44Å; L52-V79 HydrophobicContact CD1-CG2 4.38Å; L52-V80 PolarHBondContact O-N 3.03Å; L52-V115 HydrophobicContact CD2-CB 3.79Å; L52-V115 HydrophobicContact CD2-CG1 4.31Å; L52-V115 HydrophobicContact CD2-CG2 4.43Å; L52-L295 HydrophobicContact CD1-CD1 4.31Å; L52-L295 HydrophobicContact CD2-CD1 3.98Å; L52-L295 HydrophobicContact CD2-CD2 4.16Å
53L95.7Very high94.2Very high0 Ų018.6 Ų18.60%012%0.123CC..EExtended strand (participates in β ladder)trans-91.1109.9176.9-174.271000109.1L51 L55 V80 V82 V100 I103 I114 V115 L116 V117L51-L53 HydrophobicContact CD2-CB 3.73Å; L53-L55 HydrophobicContact CD2-CD2 4.22Å; L53-L55 HydrophobicContact CG-CD2 4.08Å; L53-V80 WeakPolarHBondContact CA-O 3.39Å; L53-V80 HydrophobicContact CD1-CB 4.17Å; L53-V80 HydrophobicContact CD1-CG1 3.85Å; L53-V82 HydrophobicContact CD1-CG2 3.65Å; L53-V100 HydrophobicContact CD2-CG1 4.15Å; L53-I103 HydrophobicContact CD1-CD1 4.25Å; L53-I103 HydrophobicContact CD1-CG1 3.88Å; L53-I103 HydrophobicContact CD2-CD1 3.67Å; L53-I103 HydrophobicContact CD2-CG1 4.18Å; L53-I103 HydrophobicContact CG-CD1 4.4Å; L53-I114 HydrophobicContact CB-CG2 4.33Å; L53-V115 PolarHBondContact N-O 2.88Å; L53-L116 HydrophobicContact CB-CD2 4.02Å; L53-L116 HydrophobicContact CD2-CD2 3.52Å; L53-L116 HydrophobicContact CG-CD2 4.28Å; L53-V117 PolarHBondContact O-N 3.46Å
54L97.1Very high94.4Very high0 Ų018.1 Ų18.10%012%0.122CC..EExtended strand (participates in β ladder)trans-100.5122.5-170.5-43.5-174.9000111L52 W65 F68 V79 V80 A81 V82 V117L52-L54 HydrophobicContact CB-CD2 3.82Å; L54-W65 HydrophobicContact CB-CB 4.39Å; L54-W65 HydrophobicContact CB-CD2 3.68Å; L54-W65 HydrophobicContact CB-CE3 4.36Å; L54-W65 HydrophobicContact CB-CG 3.65Å; L54-W65 HydrophobicContact CB-CZ2 4.34Å; L54-W65 HydrophobicContact CD1-CB 3.56Å; L54-W65 HydrophobicContact CD1-CD2 3.81Å; L54-W65 HydrophobicContact CD1-CE3 3.97Å; L54-W65 HydrophobicContact CD1-CG 3.64Å; L54-W65 HydrophobicContact CG-CD2 4.28Å; L54-W65 HydrophobicContact CG-CG 4.3Å; L54-F68 HydrophobicContact CD1-CD1 3.63Å; L54-F68 HydrophobicContact CD1-CE1 3.78Å; L54-F68 HydrophobicContact CD2-CE1 3.93Å; L54-V79 HydrophobicContact CD1-CG1 3.49Å; L54-V79 VanDerWaalsContact CD1-CG1 3.49Å; L54-V79 HydrophobicContact CG-CG1 4.17Å; L54-V80 PolarHBondContact N-O 3.39Å; L54-A81 HydrophobicContact CB-CB 4.17Å; L54-A81 HydrophobicContact CD1-CB 4.31Å; L54-V82 PolarHBondContact O-N 3.37Å; L54-V117 WeakPolarHBondContact CA-O 3.43Å; L54-V117 HydrophobicContact CD2-CB 3.65Å; L54-V117 HydrophobicContact CD2-CG1 4.31Å; L54-V117 HydrophobicContact CD2-CG2 3.77Å
55L95.1Very high94.5Very high0 Ų018 Ų180%012%0.12CC..EExtended strand (participates in β ladder)trans-118.3112.2-173.5-52.8-176.8000109.9L53 L84 A99 V117 G118 H119 V125 A126L53-L55 HydrophobicContact CD2-CD2 4.22Å; L53-L55 HydrophobicContact CG-CD2 4.08Å; L55-L84 HydrophobicContact CB-CD1 4.3Å; L55-L84 HydrophobicContact CD2-CD2 4.16Å; L55-A99 HydrophobicContact CD1-CB 4.28Å; L55-A99 HydrophobicContact CD2-CB 4.02Å; L55-V117 PolarHBondContact N-O 2.97Å; L55-G118 WeakPolarHBondContact O-CA 3.41Å; L55-H119 PolarHBondContact O-N 2.93Å; L55-V125 HydrophobicContact CD1-CB 4.22Å; L55-V125 HydrophobicContact CD1-CG1 3.94Å; L55-A126 HydrophobicContact CD1-CB 4.03Å
56H94.5Very high94.5Very high1 Ų115.9 Ų15.91%0.00511%0.112CC..PPolyproline II helixtrans-76.9165.7-175.766.777000113.6Y60 S61 G62 V82 L84 H119 G122H56-Y60 VanDerWaalsContact CE1-C 3.47Å; H56-Y60 PolarHBondContact CE1-O 3.5Å; H56-Y60 VanDerWaalsContact ND1-C 3.31Å; H56-Y60 PolarHBondContact ND1-O 2.73Å; H56-S61 VanDerWaalsContact CB-O 3.32Å; H56-S61 WeakPolarHBondContact CB-O 3.31Å; H56-S61 VanDerWaalsContact CD2-CA 3.42Å; H56-S61 WeakPolarHBondContact CD2-CA 3.3Å; H56-G62 PolarHBondContact CD2-N 2.8Å; H56-V82 PolarHBondContact CD2-O 3.31Å; H56-L84 PolarHBondContact NE2-N 2.84Å; H56-H119 CarbonylContact C-O 3.6Å; H56-G122 VanDerWaalsContact O-CA 3.31Å; H56-G122 WeakPolarHBondContact O-CA 3.02Å; H56-G122 PolarHBondContact O-N 3.08Å; H56-G122 VanDerWaalsContact O-N 3.16Å
57G92.5Very high94.7Very high0 Ų015 Ų150%010%0.101CC..PPolyproline II helixtrans-71.1173.8175.200000114.6G59 Y60 H119G57-G59 PolarHBondContact O-N 3.27Å; G57-Y60 WeakPolarHBondContact O-CB 3.38Å; G57-Y60 PolarHBondContact O-N 3.15Å; G57-H119 VanDerWaalsContact CA-O 3.31Å; G57-H119 WeakPolarHBondContact CA-O 3.48Å; G57-H119 PolarHBondContact N-O 3.08Å
58G89.6Confident95.1Very high9 Ų910.6 Ų10.69%0.0937%0.07CC..THydrogen-bonded Turntrans-65.5123.9-179.700000112.5Y60 H87G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 WeakPolarHBondContact O-CD2 3.1Å; G58-Y60 WeakPolarHBondContact O-CE2 3.26Å; G58-H87 WeakPolarHBondContact CA-NE2 3.47Å
59G89.2Confident95.4Very high6 Ų65.4 Ų5.46%0.0624%0.042CC..THydrogen-bonded Turntrans84.2-0.2-177.500000115.6G57 H87G57-G59 PolarHBondContact O-N 3.27Å; G59-H87 PolarHBondContact N-NE2 3.02Å
60Y94Very high95.5Very high22 Ų2210.5 Ų10.59%0.0865%0.049CC..  trans-93.5-167.8176.4-63.7-96.9000111.1H56 G57 G58 S64 C278H56-Y60 VanDerWaalsContact CE1-C 3.47Å; H56-Y60 PolarHBondContact CE1-O 3.5Å; H56-Y60 VanDerWaalsContact ND1-C 3.31Å; H56-Y60 PolarHBondContact ND1-O 2.73Å; G57-Y60 WeakPolarHBondContact O-CB 3.38Å; G57-Y60 PolarHBondContact O-N 3.15Å; G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 WeakPolarHBondContact O-CD2 3.1Å; G58-Y60 WeakPolarHBondContact O-CE2 3.26Å; Y60-S64 WeakPolarHBondContact CD1-OG 3.17Å; Y60-C278 WeakPolarHBondContact CE1-SG 3.38Å; Y60-C278 PolarHBondContact OH-SG 2.99Å
61S94.1Very high95.6Very high3 Ų310.4 Ų10.42%0.0215%0.048CC..  trans-144.6174.9175.277.20000111.2H56 L63 S64 D83H56-S61 VanDerWaalsContact CB-O 3.32Å; H56-S61 WeakPolarHBondContact CB-O 3.31Å; H56-S61 VanDerWaalsContact CD2-CA 3.42Å; H56-S61 WeakPolarHBondContact CD2-CA 3.3Å; S61-L63 PolarHBondContact O-N 3.14Å; S61-L63 VanDerWaalsContact O-N 3.09Å; S61-L63 WeakPolarHBondContact OG-CB 3.19Å; S61-L63 PolarHBondContact OG-N 3.48Å; S61-S64 WeakPolarHBondContact O-CB 3.49Å; S61-S64 PolarHBondContact O-N 3.38Å; S61-S64 VanDerWaalsContact O-N 3.1Å; S61-D83 WeakPolarHBondContact CB-OD1 3.49Å
62G94.9Very high95.5Very high0 Ų012.1 Ų12.10%06%0.059CC..G310 helixtrans-57.3-20.317300000113.3H56 S64 W65 A81 D83H56-G62 PolarHBondContact CD2-N 2.8Å; G62-S64 VanDerWaalsContact C-N 3.27Å; G62-S64 PolarHBondContact O-N 2.63Å; G62-W65 PolarHBondContact O-N 2.9Å; G62-A81 WeakPolarHBondContact O-CB 3.36Å; G62-D83 PolarHBondContact N-OD1 3.5Å
63L97.3Very high95.4Very high12 Ų1214.6 Ų14.66%0.0638%0.076CC..G310 helixtrans-70.5-18.6177.1-59.8179.4000113.8W22 F26 Y43 S61 W65 A66 V193W22-L63 HydrophobicContact CB-CD2 3.53Å; F26-L63 HydrophobicContact CE2-CD2 4.25Å; Y43-L63 HydrophobicContact CD1-CD2 3.89Å; Y43-L63 HydrophobicContact CD2-CD2 4.37Å; Y43-L63 HydrophobicContact CE1-CD2 3.46Å; Y43-L63 VanDerWaalsContact CE1-CD2 3.46Å; Y43-L63 HydrophobicContact CE1-CG 4.37Å; Y43-L63 HydrophobicContact CE2-CD2 4.02Å; Y43-L63 HydrophobicContact CE2-CG 4.25Å; Y43-L63 HydrophobicContact CG-CD2 4.31Å; S61-L63 PolarHBondContact O-N 3.14Å; S61-L63 VanDerWaalsContact O-N 3.09Å; S61-L63 WeakPolarHBondContact OG-CB 3.19Å; S61-L63 PolarHBondContact OG-N 3.48Å; L63-W65 PolarHBondContact O-N 3.48Å; L63-W65 VanDerWaalsContact O-N 3.14Å; L63-A66 WeakPolarHBondContact O-CB 3.3Å; L63-A66 PolarHBondContact O-N 3.22Å; L63-V193 WeakPolarHBondContact CD1-O 3.29Å
64S97.9Very high95.3Very high0 Ų015.5 Ų15.50%08%0.083CC..G310 helixtrans-60.5-19.6170.6-71.20000112.5Y60 S61 G62 H280 E281Y60-S64 WeakPolarHBondContact CD1-OG 3.17Å; S61-S64 WeakPolarHBondContact O-CB 3.49Å; S61-S64 PolarHBondContact O-N 3.38Å; S61-S64 VanDerWaalsContact O-N 3.1Å; G62-S64 VanDerWaalsContact C-N 3.27Å; G62-S64 PolarHBondContact O-N 2.63Å; S64-H280 WeakPolarHBondContact CB-NE2 3.32Å; S64-H280 PolarHBondContact O-CD2 3.43Å; S64-H280 VanDerWaalsContact O-CD2 3.29Å; S64-E281 WeakPolarHBondContact CB-OE1 3.18Å; S64-E281 WeakPolarHBondContact O-CG 3.2Å; S64-E281 PolarHBondContact OG-OE1 3.05Å
65W98.4Very high95.3Very high0 Ų015.5 Ų15.50%08%0.083CC..G310 helixtrans-91.52.7176.5-60.6103.2000114.3L54 G62 L63 C67 F68 T69 A81 V117 H119 I144 H280L54-W65 HydrophobicContact CB-CB 4.39Å; L54-W65 HydrophobicContact CB-CD2 3.68Å; L54-W65 HydrophobicContact CB-CE3 4.36Å; L54-W65 HydrophobicContact CB-CG 3.65Å; L54-W65 HydrophobicContact CB-CZ2 4.34Å; L54-W65 HydrophobicContact CD1-CB 3.56Å; L54-W65 HydrophobicContact CD1-CD2 3.81Å; L54-W65 HydrophobicContact CD1-CE3 3.97Å; L54-W65 HydrophobicContact CD1-CG 3.64Å; L54-W65 HydrophobicContact CG-CD2 4.28Å; L54-W65 HydrophobicContact CG-CG 4.3Å; G62-W65 PolarHBondContact O-N 2.9Å; L63-W65 PolarHBondContact O-N 3.48Å; L63-W65 VanDerWaalsContact O-N 3.14Å; W65-C67 PolarHBondContact O-N 3.07Å; W65-F68 HydrophobicContact CE3-CB 4.07Å; W65-F68 AromaticContact CE3-CD1 3.85Å; W65-F68 HydrophobicContact CE3-CD1 3.85Å; W65-F68 HydrophobicContact CE3-CE1 4.5Å; W65-F68 AromaticContact CE3-CG 3.92Å; W65-F68 HydrophobicContact CE3-CG 3.92Å; W65-F68 HydrophobicContact CZ3-CD1 4.46Å; W65-F68 HydrophobicContact CZ3-CG 4.39Å; W65-F68 WeakPolarHBondContact O-CB 3.27Å; W65-F68 PolarHBondContact O-N 3.06Å; W65-T69 PolarHBondContact O-N 2.9Å; W65-A81 HydrophobicContact CB-CB 4.09Å; W65-A81 HydrophobicContact CG-CB 4.39Å; W65-V117 HydrophobicContact CH2-CG1 3.62Å; W65-V117 HydrophobicContact CZ2-CG1 4.46Å; W65-V117 HydrophobicContact CZ3-CG1 3.94Å; W65-H119 HydrophobicContact CH2-CB 4.36Å; W65-H119 HydrophobicContact CZ2-CB 4.08Å; W65-I144 HydrophobicContact CH2-CD1 3.75Å; W65-I144 HydrophobicContact CZ3-CD1 4Å; W65-H280 AromaticContact CD2-CD2 3.71Å; W65-H280 AromaticContact CE2-CD2 3.98Å; W65-H280 HydrophobicContact CE3-CB 4.15Å; W65-H280 AromaticContact CE3-CD2 3.54Å; W65-H280 HydrophobicContact CH2-CB 4.24Å; W65-H280 AromaticContact CH2-CD2 3.98Å; W65-H280 AromaticContact CH2-CG 3.96Å; W65-H280 HydrophobicContact CZ3-CB 3.67Å; W65-H280 AromaticContact CZ3-CD2 3.68Å; W65-H280 AromaticContact CZ3-CG 3.73Å
66A98.4Very high95.3Very high0 Ų018.1 Ų18.10%010%0.099CC..THydrogen-bonded Turntrans-56.4-53.8-172.700000113.1Y25 F26 L63 F68 T69 V193Y25-A66 HydrophobicContact CD1-CB 4.22Å; Y25-A66 VanDerWaalsContact CD1-O 3.3Å; Y25-A66 WeakPolarHBondContact CD1-O 3.42Å; Y25-A66 HydrophobicContact CD2-CB 3.99Å; Y25-A66 HydrophobicContact CG-CB 3.74Å; F26-A66 HydrophobicContact CE2-CB 3.84Å; F26-A66 HydrophobicContact CZ-CB 4.41Å; L63-A66 WeakPolarHBondContact O-CB 3.3Å; L63-A66 PolarHBondContact O-N 3.22Å; A66-F68 VanDerWaalsContact C-N 3.31Å; A66-F68 PolarHBondContact O-N 3.08Å; A66-T69 WeakPolarHBondContact O-CB 3.49Å; A66-T69 VanDerWaalsContact O-CG2 3.32Å; A66-T69 WeakPolarHBondContact O-CG2 3.24Å; A66-T69 PolarHBondContact O-N 2.88Å; A66-T69 PolarHBondContact O-OG1 2.73Å; A66-V193 HydrophobicContact CB-CB 4.25Å; A66-V193 HydrophobicContact CB-CG1 3.49Å; A66-V193 VanDerWaalsContact CB-CG1 3.49Å; A66-V193 HydrophobicContact CB-CG2 3.7Å
67C98.2Very high95.3Very high9 Ų918.3 Ų18.36%0.06110%0.101CC..G310 helixtrans-68-31.2178.5-61.40000112.5W65 T69 Y70 S190 P284W65-C67 PolarHBondContact O-N 3.07Å; C67-T69 PolarHBondContact O-N 3.28Å; C67-Y70 PolarHBondContact O-N 3.45Å; C67-S190 VanDerWaalsContact SG-CA 3.55Å; C67-P284 HydrophobicContact CB-CB 3.66Å; C67-P284 HydrophobicContact CB-CG 3.64Å
68F98Very high95.5Very high1 Ų119.2 Ų19.20%0.00411%0.105CC..G310 helixtrans-61.3-23.8175.3170.3-96.9000112.9L52 L54 W65 A66 Y70 I71 V287 I291L52-F68 HydrophobicContact CD1-CE1 4.39Å; L52-F68 HydrophobicContact CD1-CZ 4.4Å; L54-F68 HydrophobicContact CD1-CD1 3.63Å; L54-F68 HydrophobicContact CD1-CE1 3.78Å; L54-F68 HydrophobicContact CD2-CE1 3.93Å; W65-F68 HydrophobicContact CE3-CB 4.07Å; W65-F68 AromaticContact CE3-CD1 3.85Å; W65-F68 HydrophobicContact CE3-CD1 3.85Å; W65-F68 HydrophobicContact CE3-CE1 4.5Å; W65-F68 AromaticContact CE3-CG 3.92Å; W65-F68 HydrophobicContact CE3-CG 3.92Å; W65-F68 HydrophobicContact CZ3-CD1 4.46Å; W65-F68 HydrophobicContact CZ3-CG 4.39Å; W65-F68 WeakPolarHBondContact O-CB 3.27Å; W65-F68 PolarHBondContact O-N 3.06Å; A66-F68 VanDerWaalsContact C-N 3.31Å; A66-F68 PolarHBondContact O-N 3.08Å; F68-Y70 PolarHBondContact O-N 3.05Å; F68-I71 HydrophobicContact CD1-CG2 4.32Å; F68-I71 HydrophobicContact CE1-CD1 4.48Å; F68-I71 HydrophobicContact CE1-CG2 3.81Å; F68-I71 HydrophobicContact CE2-CB 4.37Å; F68-I71 HydrophobicContact CE2-CD1 3.99Å; F68-I71 HydrophobicContact CE2-CG2 4.5Å; F68-I71 HydrophobicContact CZ-CB 4.19Å; F68-I71 HydrophobicContact CZ-CD1 3.59Å; F68-I71 HydrophobicContact CZ-CG1 4.49Å; F68-I71 HydrophobicContact CZ-CG2 3.91Å; F68-I71 WeakPolarHBondContact O-CG2 3.27Å; F68-I71 PolarHBondContact O-N 3.49Å; F68-V287 HydrophobicContact CD2-CB 4.47Å; F68-V287 HydrophobicContact CD2-CG1 3.9Å; F68-V287 HydrophobicContact CE2-CG1 3.93Å; F68-I291 HydrophobicContact CE2-CD1 3.73Å; F68-I291 HydrophobicContact CZ-CD1 3.83Å; F68-I291 HydrophobicContact CZ-CG2 4.48Å
69T97.5Very high95.8Very high2 Ų218.8 Ų18.81%0.01210%0.1CC..G310 helixtrans-58.5-12.4177.868.40000114.4Y25 F26 K45 W65 A66 C67 I71 T72 V79Y25-T69 PolarHBondContact O-OG1 3.11Å; Y25-T69 VanDerWaalsContact O-OG1 3.13Å; F26-T69 HydrophobicContact CD1-CG2 3.67Å; F26-T69 HydrophobicContact CE1-CG2 3.33Å; F26-T69 HydrophobicContact CG-CG2 4.4Å; F26-T69 HydrophobicContact CZ-CG2 3.82Å; K45-T69 HydrophobicContact CB-CG2 4.48Å; K45-T69 HydrophobicContact CD-CG2 4.36Å; K45-T69 PolarHBondContact NZ-OG1 3.03Å; K45-T69 VanDerWaalsContact NZ-OG1 3.1Å; W65-T69 PolarHBondContact O-N 2.9Å; A66-T69 WeakPolarHBondContact O-CB 3.49Å; A66-T69 VanDerWaalsContact O-CG2 3.32Å; A66-T69 WeakPolarHBondContact O-CG2 3.24Å; A66-T69 PolarHBondContact O-N 2.88Å; A66-T69 PolarHBondContact O-OG1 2.73Å; C67-T69 PolarHBondContact O-N 3.28Å; T69-I71 PolarHBondContact O-N 3.22Å; T69-I71 VanDerWaalsContact O-N 3.13Å; T69-T72 PolarHBondContact O-N 2.96Å; T69-T72 PolarHBondContact O-OG1 3Å; T69-T72 VanDerWaalsContact O-OG1 3.06Å; T69-V79 HydrophobicContact CG2-CG1 4.28Å
70Y95Very high96.1Very high150 Ų15018.5 Ų18.559%0.58810%0.097SC*.G310 helixtrans-56.1-22.4169.8-167.9-101.9000112.8C67 F68 T72 S73C67-Y70 PolarHBondContact O-N 3.45Å; F68-Y70 PolarHBondContact O-N 3.05Å; Y70-T72 PolarHBondContact O-N 2.89Å; Y70-S73 VanDerWaalsContact CE1-OG 3.26Å; Y70-S73 WeakPolarHBondContact CE1-OG 3.5Å; Y70-S73 WeakPolarHBondContact O-CB 3.48Å; Y70-S73 PolarHBondContact O-N 3.48Å; Y70-S73 PolarHBondContact O-OG 3.18Å
71I96.2Very high96.2Very high3 Ų317.5 Ų17.52%0.0159%0.093CC..G310 helixtrans-50.8-27.7173.6-167.6168.4000114L52 F68 T69 S73 A74 V75 V79 I291 A292 L295L52-I71 HydrophobicContact CD1-CD1 3.93Å; L52-I71 HydrophobicContact CD1-CG2 4.26Å; F68-I71 HydrophobicContact CD1-CG2 4.32Å; F68-I71 HydrophobicContact CE1-CD1 4.48Å; F68-I71 HydrophobicContact CE1-CG2 3.81Å; F68-I71 HydrophobicContact CE2-CB 4.37Å; F68-I71 HydrophobicContact CE2-CD1 3.99Å; F68-I71 HydrophobicContact CE2-CG2 4.5Å; F68-I71 HydrophobicContact CZ-CB 4.19Å; F68-I71 HydrophobicContact CZ-CD1 3.59Å; F68-I71 HydrophobicContact CZ-CG1 4.49Å; F68-I71 HydrophobicContact CZ-CG2 3.91Å; F68-I71 WeakPolarHBondContact O-CG2 3.27Å; F68-I71 PolarHBondContact O-N 3.49Å; T69-I71 PolarHBondContact O-N 3.22Å; T69-I71 VanDerWaalsContact O-N 3.13Å; I71-S73 PolarHBondContact O-N 2.89Å; I71-A74 WeakPolarHBondContact O-CB 3.47Å; I71-A74 PolarHBondContact O-N 3.16Å; I71-V75 HydrophobicContact CD1-CG2 4.34Å; I71-V75 HydrophobicContact CG1-CG2 3.82Å; I71-V75 PolarHBondContact O-N 3.36Å; I71-V79 HydrophobicContact CG2-CG2 4.09Å; I71-I291 HydrophobicContact CD1-CB 3.92Å; I71-I291 HydrophobicContact CD1-CG2 3.67Å; I71-A292 HydrophobicContact CG1-CB 4.42Å; I71-L295 HydrophobicContact CD1-CD1 4.4Å
72T95.8Very high96.1Very high37 Ų3717.3 Ų17.323%0.2279%0.092CC..G310 helixtrans-67.6-13.9177.764.90000113.5K45 T69 Y70 V79K45-T72 VanDerWaalsContact CE-OG1 3.25Å; K45-T72 WeakPolarHBondContact CE-OG1 3.15Å; K45-T72 HydrophobicContact CG-CG2 4.02Å; T69-T72 PolarHBondContact O-N 2.96Å; T69-T72 PolarHBondContact O-OG1 3Å; T69-T72 VanDerWaalsContact O-OG1 3.06Å; Y70-T72 PolarHBondContact O-N 2.89Å; T72-V79 HydrophobicContact CG2-CG2 3.83Å
73S94.3Very high95.9Very high51 Ų5118.3 Ų18.336%0.35710%0.097SC..G310 helixtrans-83.1-20.8169.673.30000112.6Y70 I71 V304Y70-S73 VanDerWaalsContact CE1-OG 3.26Å; Y70-S73 WeakPolarHBondContact CE1-OG 3.5Å; Y70-S73 WeakPolarHBondContact O-CB 3.48Å; Y70-S73 PolarHBondContact O-N 3.48Å; Y70-S73 PolarHBondContact O-OG 3.18Å; I71-S73 PolarHBondContact O-N 2.89Å; S73-V304 WeakPolarHBondContact O-CB 3.26Å
74A94.6Very high95.2Very high19 Ų1917.9 Ų17.916%0.15710%0.095CC..THydrogen-bonded Turntrans-92.2-39.2-178.400000112.2I71 A292 A303 V304 L307I71-A74 WeakPolarHBondContact O-CB 3.47Å; I71-A74 PolarHBondContact O-N 3.16Å; A74-A292 HydrophobicContact CB-CB 4.12Å; A74-A303 WeakPolarHBondContact O-CA 3.36Å; A74-V304 PolarHBondContact O-N 2.98Å; A74-L307 HydrophobicContact CB-CD2 4.14Å
75V96Very high93.9Very high0 Ų019.8 Ų19.80%010%0.102CC..BIsolated β-bridgetrans-140.5148.8-178.2-68.70000112.1I71 C77 A292 L295 V296 A301 T302I71-V75 HydrophobicContact CD1-CG2 4.34Å; I71-V75 HydrophobicContact CG1-CG2 3.82Å; I71-V75 PolarHBondContact O-N 3.36Å; V75-C77 HydrophobicContact CG2-CB 4.42Å; V75-C77 PolarHBondContact O-N 3.36Å; V75-C77 VanDerWaalsContact O-N 3.08Å; V75-A292 HydrophobicContact CG1-CB 3.78Å; V75-A292 HydrophobicContact CG2-CB 4.26Å; V75-L295 HydrophobicContact CG2-CD1 4.02Å; V75-V296 HydrophobicContact CG1-CG2 3.88Å; V75-A301 HydrophobicContact CB-CB 4Å; V75-A301 HydrophobicContact CG1-CB 4.37Å; V75-A301 HydrophobicContact CG2-CB 4.48Å; V75-T302 WeakPolarHBondContact CA-O 3.46Å
76T94.8Very high92.1Very high55 Ų5524.3 Ų24.334%0.33713%0.126SC..  trans-70.1105.1172.4-510000109.5D48 T302D48-T76 HydrophobicContact CB-CG2 4.28Å; T76-T302 PolarHBondContact N-O 3.08Å
77C95.9Very high89.6Confident5 Ų524.4 Ų24.43%0.03413%0.127CC..EExtended strand (participates in β ladder)trans-149.1159.6179.262.70000112.1D48 V50 L52 V75D48-C77 CarbonylContact O-C 3.55Å; D48-C77 WeakPolarHBondContact O-CA 3.42Å; D48-C77 PolarHBondContact O-N 2.65Å; V50-C77 HydrophobicContact CG1-CB 3.86Å; V50-C77 CarbonylContact O-C 3.58Å; V50-C77 WeakPolarHBondContact O-CA 3.32Å; V50-C77 WeakPolarHBondContact O-CB 3.34Å; L52-C77 HydrophobicContact CD1-CB 4.18Å; L52-C77 HydrophobicContact CG-CB 4.16Å; V75-C77 HydrophobicContact CG2-CB 4.42Å; V75-C77 PolarHBondContact O-N 3.36Å; V75-C77 VanDerWaalsContact O-N 3.08Å
78Y95.7Very high86.6Confident20 Ų2025.6 Ų25.68%0.07814%0.141CC..EExtended strand (participates in β ladder)trans-110.6107.8175179.6-146000109.8T44 G46 D48 V50 L51 L52 V80 V106T44-Y78 HydrophobicContact CG2-CE2 4.24Å; G46-Y78 WeakPolarHBondContact O-CD2 3.34Å; G46-Y78 WeakPolarHBondContact O-CE2 3.39Å; D48-Y78 PolarHBondContact O-N 3.31Å; V50-Y78 PolarHBondContact O-N 3.17Å; L51-Y78 CarbonylContact C-O 3.55Å; L51-Y78 VanDerWaalsContact CA-O 3.3Å; L51-Y78 WeakPolarHBondContact CA-O 3.5Å; L51-Y78 HydrophobicContact CD1-CD1 3.9Å; L51-Y78 HydrophobicContact CD1-CE1 4.21Å; L51-Y78 HydrophobicContact CG-CD1 4.23Å; L52-Y78 PolarHBondContact N-O 3.44Å; Y78-V80 HydrophobicContact CD1-CG2 4.02Å; Y78-V80 HydrophobicContact CD2-CG2 4.49Å; Y78-V80 HydrophobicContact CE1-CG2 3.73Å; Y78-V80 HydrophobicContact CE2-CG2 4.29Å; Y78-V80 HydrophobicContact CG-CG2 4.39Å; Y78-V106 HydrophobicContact CE1-CG2 4.26Å; Y78-V106 PolarHBondContact OH-O 2.92Å
79V96.6Very high83.7Confident0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans-84131.7-179.2172.50000110.2F26 T44 K45 L52 L54 T69 I71 T72F26-V79 HydrophobicContact CE1-CG1 4.34Å; T44-V79 WeakPolarHBondContact CA-O 3.31Å; K45-V79 HydrophobicContact CB-CB 4.33Å; K45-V79 PolarHBondContact N-O 3.06Å; K45-V79 PolarHBondContact O-N 2.86Å; L52-V79 HydrophobicContact CD1-CG2 4.38Å; L54-V79 HydrophobicContact CD1-CG1 3.49Å; L54-V79 VanDerWaalsContact CD1-CG1 3.49Å; L54-V79 HydrophobicContact CG-CG1 4.17Å; T69-V79 HydrophobicContact CG2-CG1 4.28Å; I71-V79 HydrophobicContact CG2-CG2 4.09Å; T72-V79 HydrophobicContact CG2-CG2 3.83Å
80V95.6Very high80.8Confident0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-13398.5175.9-177.70000108.8V42 T44 L51 L52 L53 L54 Y78 V82 V106V42-V80 HydrophobicContact CG1-CG1 3.36Å; T44-V80 HydrophobicContact CG2-CG1 4.48Å; T44-V80 HydrophobicContact CG2-CG2 4.24Å; L51-V80 HydrophobicContact CD1-CG2 3.8Å; L51-V80 HydrophobicContact CD2-CB 4.35Å; L51-V80 HydrophobicContact CD2-CG2 4.25Å; L51-V80 HydrophobicContact CG-CG2 3.88Å; L52-V80 PolarHBondContact O-N 3.03Å; L53-V80 WeakPolarHBondContact CA-O 3.39Å; L53-V80 HydrophobicContact CD1-CB 4.17Å; L53-V80 HydrophobicContact CD1-CG1 3.85Å; L54-V80 PolarHBondContact N-O 3.39Å; Y78-V80 HydrophobicContact CD1-CG2 4.02Å; Y78-V80 HydrophobicContact CD2-CG2 4.49Å; Y78-V80 HydrophobicContact CE1-CG2 3.73Å; Y78-V80 HydrophobicContact CE2-CG2 4.29Å; Y78-V80 HydrophobicContact CG-CG2 4.39Å; V80-V82 HydrophobicContact CG1-CG2 4.24Å; V80-V106 HydrophobicContact CG1-CG1 4.39Å; V80-V106 HydrophobicContact CG1-CG2 3.98Å; V80-V106 HydrophobicContact CG2-CG2 3.96Å
81A95.6Very high78.6Confident0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-95.7122.4176.700000110.8F26 V42 Y43 L54 G62 W65F26-A81 HydrophobicContact CE1-CB 3.94Å; F26-A81 HydrophobicContact CZ-CB 4.02Å; V42-A81 WeakPolarHBondContact CA-O 3.46Å; Y43-A81 PolarHBondContact N-O 3.28Å; Y43-A81 PolarHBondContact O-N 3.33Å; L54-A81 HydrophobicContact CB-CB 4.17Å; L54-A81 HydrophobicContact CD1-CB 4.31Å; G62-A81 WeakPolarHBondContact O-CB 3.36Å; W65-A81 HydrophobicContact CB-CB 4.09Å; W65-A81 HydrophobicContact CG-CB 4.39Å
82V91.9Very high76.5Confident0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-108.3132.4-171.9-178.40000110.7F40 V42 L53 L54 H56 V80 L84 P102F40-V82 HydrophobicContact CD1-CG1 3.9Å; V42-V82 HydrophobicContact CG1-CG2 4.3Å; V42-V82 HydrophobicContact CG2-CG2 4.28Å; L53-V82 HydrophobicContact CD1-CG2 3.65Å; L54-V82 PolarHBondContact O-N 3.37Å; H56-V82 PolarHBondContact CD2-O 3.31Å; V80-V82 HydrophobicContact CG1-CG2 4.24Å; V82-L84 PolarHBondContact O-N 3.05Å; V82-P102 HydrophobicContact CG1-CG 3.96Å; V82-P102 HydrophobicContact CG2-CB 4.25Å; V82-P102 HydrophobicContact CG2-CG 4.36Å
83D89.6Confident74.6Confident20 Ų2035.1 Ų35.111%0.10719%0.194CC..  trans-71.9102.5162.3-79.2-2.2000109.1F40 N41 S61 G62F40-D83 WeakPolarHBondContact CD1-O 3.14Å; N41-D83 HydrophobicContact CB-CB 4.08Å; N41-D83 WeakPolarHBondContact CB-OD2 3.13Å; N41-D83 PolarHBondContact ND2-OD2 3.2Å; N41-D83 PolarHBondContact O-N 3.48Å; S61-D83 WeakPolarHBondContact CB-OD1 3.49Å; G62-D83 PolarHBondContact N-OD1 3.5Å
84L82.7Confident72.7Confident4 Ų433.8 Ų33.82%0.02118%0.183CC..  trans-63.3145.4170.9-65.4176.4000109.9L55 H56 V82 N86 L97 A99 M121L55-L84 HydrophobicContact CB-CD1 4.3Å; L55-L84 HydrophobicContact CD2-CD2 4.16Å; H56-L84 PolarHBondContact NE2-N 2.84Å; V82-L84 PolarHBondContact O-N 3.05Å; L84-N86 PolarHBondContact O-N 3.3Å; L84-L97 HydrophobicContact CB-CD2 4.18Å; L84-L97 HydrophobicContact CD2-CD2 4.39Å; L84-A99 HydrophobicContact CD2-CB 3.94Å; L84-M121 HydrophobicContact CB-CE 4.34Å; L84-M121 HydrophobicContact CD1-CE 3.65Å
85R71.8Confident70.7Confident40 Ų4041 Ų4115%0.15121%0.211CC..  trans-44.2133.3-171-117.5-179.7156.2174.53.4113.2E36 D37 N38 F40 H87 L92 L97E36-R85 PolarHBondContact O-NH2 2.84Å; D37-R85 PolarHBondContact O-NH2 2.92Å; N38-R85 VanDerWaalsContact CG-CZ 3.45Å; N38-R85 WeakPolarHBondContact OD1-CD 3.33Å; N38-R85 PolarHBondContact OD1-NE 3.49Å; N38-R85 PolarHBondContact OD1-NH1 2.97Å; N38-R85 PolarHBondContact OD1-NH2 3.16Å; N38-R85 VanDerWaalsContact OD1-NH2 3.1Å; F40-R85 HydrophobicContact CZ-CG 4.48Å; R85-H87 PolarHBondContact O-N 3.32Å; R85-H87 PolarHBondContact O-ND1 3.41Å; R85-L92 HydrophobicContact CB-CD2 4.49Å; R85-L97 HydrophobicContact CB-CD2 4.28Å
86N59.1Low68.8Low94 Ų9446.3 Ų46.350%0.50323%0.231SC..  trans-53.8131.6-178.9-75.9-36.7000112L84 G88L84-N86 PolarHBondContact O-N 3.3Å; N86-G88 PolarHBondContact O-N 3.47Å
87H48Very low67Low2 Ų243.8 Ų43.81%0.00922%0.215CC..THydrogen-bonded Turntrans-86.952.2-165.9-24.63.6000114.9G58 G59 R85 L92 T217 N218 L219 T222G58-H87 WeakPolarHBondContact CA-NE2 3.47Å; G59-H87 PolarHBondContact N-NE2 3.02Å; R85-H87 PolarHBondContact O-N 3.32Å; R85-H87 PolarHBondContact O-ND1 3.41Å; H87-L92 HydrophobicContact CB-CD1 3.73Å; H87-T217 HydrophobicContact CB-CG2 3.2Å; H87-T217 PolarHBondContact N-OG1 3.1Å; H87-N218 VanDerWaalsContact O-O 3.13Å; H87-L219 WeakPolarHBondContact CD2-CD1 3.32Å; H87-T222 HydrophobicContact CB-CG2 3.47Å; H87-T222 VanDerWaalsContact CB-CG2 3.47Å
88G34Very low65.6Low35 Ų3547.4 Ų47.436%0.36123%0.232SC..THydrogen-bonded Turntrans-122.8-10.2-179.400000115.2N86N86-G88 PolarHBondContact O-N 3.47Å
89M36.6Very low64.6Low133 Ų13346.6 Ų46.666%0.65523%0.229SC*.SBendtrans-115.1136.4-175.7-55.6-173.287.100109.5R91M89-R91 PolarHBondContact O-N 3.45Å
90N37.4Very low63.6Low121 Ų12148.6 Ų48.665%0.64724%0.241SC*.SBendtrans-60.234.2-173.7-69-16.8000116
91R47.7Very low62.7Low92 Ų9249.8 Ų49.835%0.34725%0.251SS..  trans-130.734.3-170.1-55.4-175.390.8-155.9-2.2113E36 M89 R96E36-R91 IonicContact OE2-CZ 3.49Å; E36-R91 IonicContact OE2-NH1 3.52Å; E36-R91 PolarHBondContact OE2-NH1 3.34Å; E36-R91 IonicContact OE2-NH2 3.39Å; E36-R91 PolarHBondContact OE2-NH2 2.94Å; M89-R91 PolarHBondContact O-N 3.45Å; R91-R96 WeakPolarHBondContact O-CB 3.32Å
92L53.8Low61.8Low4 Ų449.8 Ų49.82%0.02125%0.251CS..  trans-103.323-175.6-76.1152.9000115.3R85 H87 L94 L97 T222 F225 W229R85-L92 HydrophobicContact CB-CD2 4.49Å; H87-L92 HydrophobicContact CB-CD1 3.73Å; L92-L94 PolarHBondContact O-N 3.33Å; L92-L97 HydrophobicContact CD2-CD1 4.46Å; L92-L97 HydrophobicContact CD2-CD2 3.68Å; L92-L97 HydrophobicContact CD2-CG 4.2Å; L92-T222 HydrophobicContact CD1-CG2 3.43Å; L92-T222 VanDerWaalsContact CD1-CG2 3.43Å; L92-F225 HydrophobicContact CB-CD2 3.98Å; L92-F225 HydrophobicContact CB-CE2 4.18Å; L92-W229 PolarHBondContact O-NE1 2.89Å
93S54.7Low61.1Low42 Ų4250 Ų5029%0.29425%0.252SS..SBendtrans-55.3134.6160.160.60000108.5K95 R96S93-K95 PolarHBondContact O-N 2.86Å; S93-R96 PolarHBondContact O-N 2.72Å; S93-R96 WeakPolarHBondContact OG-CG 3.42Å
94L53.9Low60.6Low24 Ų2455.4 Ų55.413%0.12628%0.281CS..G310 helixtrans-45.3-37.9-179.1-68.3173.7000113.1L92 R96 L97 A124 V125 E128 W229L92-L94 PolarHBondContact O-N 3.33Å; L94-R96 PolarHBondContact O-N 3.39Å; L94-R96 VanDerWaalsContact O-N 3.07Å; L94-L97 HydrophobicContact CD2-CD1 4.28Å; L94-L97 PolarHBondContact O-N 3.22Å; L94-A124 HydrophobicContact CD2-CB 4.22Å; L94-V125 HydrophobicContact CD2-CB 4.39Å; L94-V125 HydrophobicContact CD2-CG2 3.55Å; L94-E128 HydrophobicContact CB-CB 4.31Å; L94-E128 HydrophobicContact CB-CG 4.05Å; L94-E128 HydrophobicContact CD1-CB 4.13Å; L94-E128 HydrophobicContact CD1-CG 4.4Å; L94-W229 HydrophobicContact CD2-CG 4.26Å
95K54Low60.3Low171 Ų17160 Ų6074%0.74330%0.301SS*.G310 helixtrans-54.5-25.3176.9-66.9-175.7177.7-179.90115.1S93S93-K95 PolarHBondContact O-N 2.86Å
96R55.6Low60.6Low111 Ų11158.5 Ų58.542%0.41930%0.296SS..G310 helixtrans-104.7-0.9-172.9-69.9-175.6178.5-174.20.3114R91 S93 L94 H98R91-R96 WeakPolarHBondContact O-CB 3.32Å; S93-R96 PolarHBondContact O-N 2.72Å; S93-R96 WeakPolarHBondContact OG-CG 3.42Å; L94-R96 PolarHBondContact O-N 3.39Å; L94-R96 VanDerWaalsContact O-N 3.07Å; R96-H98 PolarHBondContact O-N 3.41Å
97L57.1Low61.3Low1 Ų155.3 Ų55.31%0.00528%0.281CS..  trans-72.6-9.7-176-88.2157.3000113.6L84 R85 L92 L94 A99 V125L84-L97 HydrophobicContact CB-CD2 4.18Å; L84-L97 HydrophobicContact CD2-CD2 4.39Å; R85-L97 HydrophobicContact CB-CD2 4.28Å; L92-L97 HydrophobicContact CD2-CD1 4.46Å; L92-L97 HydrophobicContact CD2-CD2 3.68Å; L92-L97 HydrophobicContact CD2-CG 4.2Å; L94-L97 HydrophobicContact CD2-CD1 4.28Å; L94-L97 PolarHBondContact O-N 3.22Å; L97-A99 PolarHBondContact O-N 2.99Å; L97-V125 HydrophobicContact CB-CG1 4.38Å; L97-V125 HydrophobicContact CD1-CG2 3.43Å; L97-V125 VanDerWaalsContact CD1-CG2 3.43Å
98H67.4Low62.4Low82 Ų8261.4 Ų61.438%0.3832%0.324SS..  trans43.332.9175.8-68.8-171.6000113.2F40 R96 V100 A101 P102F40-H98 HydrophobicContact CZ-CB 4.07Å; R96-H98 PolarHBondContact O-N 3.41Å; H98-V100 PolarHBondContact O-N 2.78Å; H98-A101 HydrophobicContact CB-CB 4.22Å; H98-A101 WeakPolarHBondContact O-CB 3.33Å; H98-A101 PolarHBondContact O-N 3.08Å; H98-P102 VanDerWaalsContact O-CD 3.31Å; H98-P102 WeakPolarHBondContact O-CD 3.19Å
99A72.7Confident64.2Low2 Ų266.4 Ų66.42%0.01734%0.336CS..THydrogen-bonded Turntrans-61.9-24.6-165.200000113.6L55 L84 L97 V125L55-A99 HydrophobicContact CD1-CB 4.28Å; L55-A99 HydrophobicContact CD2-CB 4.02Å; L84-A99 HydrophobicContact CD2-CB 3.94Å; L97-A99 PolarHBondContact O-N 2.99Å; A99-V125 HydrophobicContact CB-CG1 3.59Å
100V76.2Confident66Low43 Ų4364.6 Ų64.626%0.26134%0.341SS..THydrogen-bonded Turntrans-91-18.4179.1-63.80000114.1L53 H98 P102 I103 V129 L135L53-V100 HydrophobicContact CD2-CG1 4.15Å; H98-V100 PolarHBondContact O-N 2.78Å; V100-P102 VanDerWaalsContact C-N 3.3Å; V100-I103 HydrophobicContact CB-CD1 4.03Å; V100-I103 HydrophobicContact CG1-CD1 4.29Å; V100-I103 VanDerWaalsContact O-CB 3.27Å; V100-I103 WeakPolarHBondContact O-CB 3.38Å; V100-I103 WeakPolarHBondContact O-CG1 3.43Å; V100-I103 PolarHBondContact O-N 2.94Å; V100-I103 VanDerWaalsContact O-N 3.08Å; V100-V129 HydrophobicContact CG1-CB 4.45Å; V100-V129 HydrophobicContact CG1-CG1 3.39Å; V100-V129 HydrophobicContact CG1-CG2 4.19Å; V100-L135 HydrophobicContact CB-CD1 4.47Å; V100-L135 HydrophobicContact CG1-CD1 4.41Å; V100-L135 HydrophobicContact CG1-CD2 4.03Å
101A78.1Confident68Low24 Ų2460.6 Ų60.620%0.19832%0.32CS..THydrogen-bonded Turntrans-58.9-35.9-177.400000113.3L34 H98 I103 N104 F105L34-A101 HydrophobicContact CD1-CB 3.39Å; H98-A101 HydrophobicContact CB-CB 4.22Å; H98-A101 WeakPolarHBondContact O-CB 3.33Å; H98-A101 PolarHBondContact O-N 3.08Å; A101-I103 PolarHBondContact O-N 2.9Å; A101-I103 VanDerWaalsContact O-N 3.16Å; A101-N104 PolarHBondContact O-N 2.83Å; A101-F105 WeakPolarHBondContact O-CD2 3.36Å
102P75.4Confident69.8Low0 Ų067 Ų670%034%0.344CS..THydrogen-bonded Turntrans-58.7-24.7175.5-28.737.5000115.4I32 F40 V42 V82 H98 V100 N104 F105 V106I32-P102 HydrophobicContact CD1-CB 3.74Å; F40-P102 HydrophobicContact CB-CG 4.18Å; F40-P102 HydrophobicContact CD1-CG 4.21Å; F40-P102 HydrophobicContact CD2-CG 4.42Å; F40-P102 HydrophobicContact CG-CG 4.01Å; V42-P102 HydrophobicContact CG2-CB 3.74Å; V42-P102 HydrophobicContact CG2-CG 4.44Å; V82-P102 HydrophobicContact CG1-CG 3.96Å; V82-P102 HydrophobicContact CG2-CB 4.25Å; V82-P102 HydrophobicContact CG2-CG 4.36Å; H98-P102 VanDerWaalsContact O-CD 3.31Å; H98-P102 WeakPolarHBondContact O-CD 3.19Å; V100-P102 VanDerWaalsContact C-N 3.3Å; P102-N104 PolarHBondContact O-N 2.9Å; P102-F105 PolarHBondContact O-N 3.47Å; P102-V106 PolarHBondContact O-N 2.77Å
103I76.9Confident71.7Confident6 Ų668.9 Ų68.93%0.03136%0.357CS..Hα-helixtrans-56.7-40.7-179.3-64.8167.2000111.3L51 L53 V100 A101 F105 V106 S107 I111 I114 L135L51-I103 HydrophobicContact CD1-CG2 3.98Å; L51-I103 HydrophobicContact CD2-CG1 4.48Å; L53-I103 HydrophobicContact CD1-CD1 4.25Å; L53-I103 HydrophobicContact CD1-CG1 3.88Å; L53-I103 HydrophobicContact CD2-CD1 3.67Å; L53-I103 HydrophobicContact CD2-CG1 4.18Å; L53-I103 HydrophobicContact CG-CD1 4.4Å; V100-I103 HydrophobicContact CB-CD1 4.03Å; V100-I103 HydrophobicContact CG1-CD1 4.29Å; V100-I103 VanDerWaalsContact O-CB 3.27Å; V100-I103 WeakPolarHBondContact O-CB 3.38Å; V100-I103 WeakPolarHBondContact O-CG1 3.43Å; V100-I103 PolarHBondContact O-N 2.94Å; V100-I103 VanDerWaalsContact O-N 3.08Å; A101-I103 PolarHBondContact O-N 2.9Å; A101-I103 VanDerWaalsContact O-N 3.16Å; I103-F105 PolarHBondContact O-N 2.8Å; I103-F105 VanDerWaalsContact O-N 3.17Å; I103-V106 WeakPolarHBondContact O-CG2 3.37Å; I103-V106 PolarHBondContact O-N 2.97Å; I103-S107 PolarHBondContact O-N 3.02Å; I103-I111 HydrophobicContact CG2-CD1 3.31Å; I103-I114 HydrophobicContact CD1-CD1 3.77Å; I103-I114 HydrophobicContact CD1-CG2 4.42Å; I103-I114 HydrophobicContact CG2-CD1 4.12Å; I103-L135 HydrophobicContact CD1-CD1 4.48Å
104N78.9Confident73.6Confident132 Ų13266.9 Ų66.971%0.70634%0.343SS*.Hα-helixtrans-68.6-13.1-178.2-64.7-19.8000113.7A101 P102A101-N104 PolarHBondContact O-N 2.83Å; P102-N104 PolarHBondContact O-N 2.9Å
105F78.2Confident75.7Confident102 Ų10265.8 Ų65.845%0.44734%0.337SS..Hα-helixtrans-108.3-13.9-178.2-64.5-94.6000112.9R30 I32 L34 A101 P102 I103R30-F105 PolarHBondContact NH1-O 3.41Å; R30-F105 VanDerWaalsContact NH1-O 3.1Å; I32-F105 HydrophobicContact CD1-CB 3.65Å; I32-F105 HydrophobicContact CD1-CG 4.39Å; I32-F105 HydrophobicContact CG1-CB 3.81Å; I32-F105 HydrophobicContact CG1-CG 4.36Å; I32-F105 HydrophobicContact CG2-CB 3.96Å; I32-F105 HydrophobicContact CG2-CD1 3.85Å; I32-F105 HydrophobicContact CG2-CD2 3.71Å; I32-F105 HydrophobicContact CG2-CE1 4.26Å; I32-F105 HydrophobicContact CG2-CE2 4.17Å; I32-F105 HydrophobicContact CG2-CG 3.55Å; I32-F105 HydrophobicContact CG2-CZ 4.42Å; L34-F105 HydrophobicContact CD2-CD2 3.91Å; L34-F105 HydrophobicContact CD2-CE1 4.28Å; L34-F105 HydrophobicContact CD2-CE2 3.12Å; L34-F105 HydrophobicContact CD2-CZ 3.34Å; A101-F105 WeakPolarHBondContact O-CD2 3.36Å; P102-F105 PolarHBondContact O-N 3.47Å; I103-F105 PolarHBondContact O-N 2.8Å; I103-F105 VanDerWaalsContact O-N 3.17Å
106V76.7Confident77.7Confident7 Ų757.6 Ų57.64%0.04230%0.302CS..Hα-helixtrans-93-31.4178.7-64.30000112.4R30 I32 V42 T44 Y78 V80 P102 I103R30-V106 PolarHBondContact NH1-O 2.79Å; R30-V106 VanDerWaalsContact NH1-O 3.08Å; I32-V106 HydrophobicContact CD1-CG1 4.17Å; V42-V106 HydrophobicContact CB-CG1 4.15Å; V42-V106 HydrophobicContact CG1-CG1 3.76Å; V42-V106 HydrophobicContact CG2-CG1 4.46Å; T44-V106 HydrophobicContact CG2-CB 4.25Å; T44-V106 HydrophobicContact CG2-CG1 4.07Å; Y78-V106 HydrophobicContact CE1-CG2 4.26Å; Y78-V106 PolarHBondContact OH-O 2.92Å; V80-V106 HydrophobicContact CG1-CG1 4.39Å; V80-V106 HydrophobicContact CG1-CG2 3.98Å; V80-V106 HydrophobicContact CG2-CG2 3.96Å; P102-V106 PolarHBondContact O-N 2.77Å; I103-V106 WeakPolarHBondContact O-CG2 3.37Å; I103-V106 PolarHBondContact O-N 2.97Å
107S74.3Confident79.8Confident27 Ų2752.3 Ų52.319%0.18928%0.282CS..  trans-122128.7176.4-175.30000111.7I103 K109I103-S107 PolarHBondContact O-N 3.02Å; S107-K109 VanDerWaalsContact C-N 3.34Å; S107-K109 PolarHBondContact OG-N 3.2Å; S107-K109 VanDerWaalsContact OG-N 3.12Å; S107-K109 PolarHBondContact OG-O 2.84Å; S107-K109 VanDerWaalsContact OG-O 3.07Å
108S71.1Confident81.7Confident130 Ų13052.3 Ų52.391%0.90928%0.282SS*.SBendtrans-82.1-15.2166.158.40000112.7
109K72.3Confident83.1Confident141 Ų14148.4 Ų48.461%0.61326%0.264SS*.SBendtrans-82.1143.7177.8-62.5179.4-177.5174.20109.7S107 I111S107-K109 VanDerWaalsContact C-N 3.34Å; S107-K109 PolarHBondContact OG-N 3.2Å; S107-K109 VanDerWaalsContact OG-N 3.12Å; S107-K109 PolarHBondContact OG-O 2.84Å; S107-K109 VanDerWaalsContact OG-O 3.07Å; K109-I111 PolarHBondContact O-N 3.39Å
110A74.4Confident84.1Confident94 Ų9448.8 Ų48.878%0.77727%0.267SS*.  trans-60.3108.8170.100000109.8R112A110-R112 PolarHBondContact O-N 3.47Å
111I79.3Confident84.8Confident38 Ų3846.8 Ų46.820%0.19526%0.255CS..  trans-79.4112.8178.1-64.5153.4000108.3L51 I103 K109 I114 S137L51-I111 HydrophobicContact CB-CG2 3.77Å; L51-I111 HydrophobicContact CD1-CD1 3.38Å; L51-I111 HydrophobicContact CD1-CG1 4.16Å; L51-I111 HydrophobicContact CD1-CG2 4.28Å; I103-I111 HydrophobicContact CG2-CD1 3.31Å; K109-I111 PolarHBondContact O-N 3.39Å; I111-I114 HydrophobicContact CG2-CD1 4.05Å; I111-I114 HydrophobicContact CG2-CG1 3.47Å; I111-I114 VanDerWaalsContact CG2-CG1 3.47Å; I111-S137 WeakPolarHBondContact O-CB 3.4Å
112R84.7Confident85.5Confident227 Ų22745.7 Ų45.786%0.85725%0.245SC*.  trans-80-33.4-176.4-64-174.3178.3-164.6-0.7113.3A110 S137A110-R112 PolarHBondContact O-N 3.47Å; R112-S137 WeakPolarHBondContact O-CB 3.45Å
113S93.9Very high86.5Confident42 Ų4245.7 Ų45.729%0.29425%0.245SC..  trans-136.4124.6-175.2-58.10000110.6L51 S137L51-S113 PolarHBondContact N-O 3.43Å; S113-S137 CarbonylContact C-O 3.58Å; S113-S137 WeakPolarHBondContact CA-O 3.48Å
114I95.1Very high87.2Confident1 Ų145.5 Ų45.51%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-121.4129.8176.5-59.8175.4000108.8L51 L53 I103 I111 L116 L135 S137 A139 G140L51-I114 HydrophobicContact CB-CG1 4.27Å; L51-I114 HydrophobicContact CD2-CG1 4.39Å; L51-I114 HydrophobicContact CD2-CG2 3.91Å; L51-I114 CarbonylContact O-C 3.59Å; L51-I114 WeakPolarHBondContact O-CA 3.5Å; L53-I114 HydrophobicContact CB-CG2 4.33Å; I103-I114 HydrophobicContact CD1-CD1 3.77Å; I103-I114 HydrophobicContact CD1-CG2 4.42Å; I103-I114 HydrophobicContact CG2-CD1 4.12Å; I111-I114 HydrophobicContact CG2-CD1 4.05Å; I111-I114 HydrophobicContact CG2-CG1 3.47Å; I111-I114 VanDerWaalsContact CG2-CG1 3.47Å; I114-L116 HydrophobicContact CG2-CD2 4.41Å; I114-L135 HydrophobicContact CB-CD2 4.25Å; I114-L135 HydrophobicContact CD1-CD1 3.8Å; I114-L135 HydrophobicContact CD1-CD2 4.09Å; I114-L135 HydrophobicContact CD1-CG 4.18Å; I114-L135 HydrophobicContact CG2-CD2 3.97Å; I114-S137 WeakPolarHBondContact CD1-OG 3.38Å; I114-S137 PolarHBondContact N-O 3.39Å; I114-A139 PolarHBondContact O-N 3.39Å; I114-G140 PolarHBondContact O-N 2.98Å
115V97.2Very high87.8Confident0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-109.2122.8167.7176.10000108.2V50 L51 L52 L53 V117 G140 V142 L295 L300V50-V115 HydrophobicContact CG2-CB 4.5Å; V50-V115 HydrophobicContact CG2-CG2 3.79Å; L51-V115 PolarHBondContact O-N 3.21Å; L52-V115 HydrophobicContact CD2-CB 3.79Å; L52-V115 HydrophobicContact CD2-CG1 4.31Å; L52-V115 HydrophobicContact CD2-CG2 4.43Å; L53-V115 PolarHBondContact N-O 2.88Å; V115-V117 HydrophobicContact CG1-CG2 4.17Å; V115-G140 WeakPolarHBondContact CA-O 3.4Å; V115-V142 HydrophobicContact CG1-CG2 3.88Å; V115-L295 HydrophobicContact CB-CD2 4.4Å; V115-L295 HydrophobicContact CG1-CD2 4.49Å; V115-L295 HydrophobicContact CG2-CD2 3.74Å; V115-L300 HydrophobicContact CG2-CD1 3.81Å
116L97.1Very high88.6Confident0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-82.2129.2172.7-63.2173.8000108.6L53 I114 A126 V129 A130 L135 L138 G140 L141 V142L53-L116 HydrophobicContact CB-CD2 4.02Å; L53-L116 HydrophobicContact CD2-CD2 3.52Å; L53-L116 HydrophobicContact CG-CD2 4.28Å; I114-L116 HydrophobicContact CG2-CD2 4.41Å; L116-A126 HydrophobicContact CB-CB 4Å; L116-A126 HydrophobicContact CD1-CB 4.45Å; L116-A126 WeakPolarHBondContact CD1-O 3.39Å; L116-V129 HydrophobicContact CD1-CB 3.96Å; L116-V129 HydrophobicContact CD1-CG1 3.67Å; L116-A130 HydrophobicContact CD1-CB 4.4Å; L116-L135 HydrophobicContact CD2-CD2 4.29Å; L116-L138 HydrophobicContact CB-CD1 4.4Å; L116-L138 HydrophobicContact CD1-CD1 3.68Å; L116-L138 HydrophobicContact CG-CD1 3.62Å; L116-G140 PolarHBondContact N-O 3.42Å; L116-G140 VanDerWaalsContact N-O 3.08Å; L116-L141 HydrophobicContact CB-CD1 3.98Å; L116-V142 PolarHBondContact O-N 3.44Å
117V98.3Very high89.4Confident0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.7115.6174.1-171.70000108L53 L54 L55 W65 V115 V142 I144 I291L53-V117 PolarHBondContact O-N 3.46Å; L54-V117 WeakPolarHBondContact CA-O 3.43Å; L54-V117 HydrophobicContact CD2-CB 3.65Å; L54-V117 HydrophobicContact CD2-CG1 4.31Å; L54-V117 HydrophobicContact CD2-CG2 3.77Å; L55-V117 PolarHBondContact N-O 2.97Å; W65-V117 HydrophobicContact CH2-CG1 3.62Å; W65-V117 HydrophobicContact CZ2-CG1 4.46Å; W65-V117 HydrophobicContact CZ3-CG1 3.94Å; V115-V117 HydrophobicContact CG1-CG2 4.17Å; V117-V142 WeakPolarHBondContact CA-O 3.47Å; V117-V142 HydrophobicContact CB-CB 4.3Å; V117-V142 HydrophobicContact CG1-CB 4.05Å; V117-V142 HydrophobicContact CG1-CG1 4.07Å; V117-V142 HydrophobicContact CG2-CB 4.09Å; V117-V142 HydrophobicContact CG2-CG2 4.2Å; V117-I144 HydrophobicContact CG1-CD1 4.1Å; V117-I291 HydrophobicContact CG1-CD1 3.93Å
118G97.2Very high90.3Very high0 Ų034.1 Ų34.10%019%0.185CC..EExtended strand (participates in β ladder)trans-128.3128.5-17400000113.3L55 G122 G123 V142 I144L55-G118 WeakPolarHBondContact O-CA 3.41Å; G118-G122 VanDerWaalsContact CA-C 3.48Å; G118-G123 VanDerWaalsContact C-N 3.3Å; G118-G123 WeakPolarHBondContact O-CA 3.42Å; G118-V142 PolarHBondContact N-O 3.23Å; G118-I144 PolarHBondContact O-N 3.2Å
119H96.5Very high91.2Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-98.6131172.7169.6-112000111.1L55 H56 G57 W65 M121 G122 G123 I144 H277 H280L55-H119 PolarHBondContact O-N 2.93Å; H56-H119 CarbonylContact C-O 3.6Å; G57-H119 VanDerWaalsContact CA-O 3.31Å; G57-H119 WeakPolarHBondContact CA-O 3.48Å; G57-H119 PolarHBondContact N-O 3.08Å; W65-H119 HydrophobicContact CH2-CB 4.36Å; W65-H119 HydrophobicContact CZ2-CB 4.08Å; H119-M121 PolarHBondContact O-N 3.34Å; H119-M121 VanDerWaalsContact O-N 3.13Å; H119-G122 WeakPolarHBondContact O-CA 3.38Å; H119-G122 PolarHBondContact O-N 3.42Å; H119-G123 PolarHBondContact O-N 3.05Å; H119-I144 WeakPolarHBondContact CA-O 3.3Å; H119-I144 HydrophobicContact CB-CB 4.38Å; H119-H277 AromaticContact CE1-CD2 3.62Å; H119-H277 AromaticContact CE1-NE2 3.62Å; H119-H277 AromaticContact NE2-CD2 3.62Å; H119-H277 AromaticContact NE2-NE2 3.57Å; H119-H277 PolarHBondContact NE2-O 3.1Å; H119-H280 AromaticContact CD2-CE1 3.88Å; H119-H280 AromaticContact CD2-ND1 3.81Å; H119-H280 AromaticContact CE1-CE1 3.95Å; H119-H280 AromaticContact CG-CE1 3.37Å; H119-H280 AromaticContact CG-ND1 3.66Å; H119-H280 AromaticContact ND1-CE1 3.47Å; H119-H280 PolarHBondContact ND1-CE1 3.32Å
120S93.6Very high92.2Very high11 Ų1122.4 Ų22.48%0.07712%0.12CC..THydrogen-bonded Turntrans52.3-118.2173.3-170.60000112.8G122 G123 A124 I144 H277S120-G122 VanDerWaalsContact C-N 3.26Å; S120-G122 PolarHBondContact O-N 3.06Å; S120-G123 WeakPolarHBondContact O-CA 3.39Å; S120-G123 PolarHBondContact O-N 3.06Å; S120-A124 PolarHBondContact O-N 2.91Å; S120-I144 PolarHBondContact N-O 2.85Å; S120-H277 WeakPolarHBondContact CB-NE2 3.32Å; S120-H277 PolarHBondContact OG-NE2 2.93Å
121M91.6Very high92.9Very high1 Ų122.7 Ų22.71%0.00510%0.101CC..Hα-helixtrans-52-43.1171.5-176.3-164.271.200112.3L84 H119 G123 A124 V125 W229L84-M121 HydrophobicContact CB-CE 4.34Å; L84-M121 HydrophobicContact CD1-CE 3.65Å; H119-M121 PolarHBondContact O-N 3.34Å; H119-M121 VanDerWaalsContact O-N 3.13Å; M121-G123 PolarHBondContact O-N 3.33Å; M121-A124 WeakPolarHBondContact O-CB 3.38Å; M121-A124 PolarHBondContact O-N 3.27Å; M121-A124 VanDerWaalsContact O-N 3.12Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 3.47Å; M121-W229 HydrophobicContact CB-CE3 4.32Å; M121-W229 HydrophobicContact CB-CZ3 4.28Å; M121-W229 HydrophobicContact CG-CD2 4.12Å; M121-W229 HydrophobicContact CG-CE3 3.82Å; M121-W229 HydrophobicContact CG-CH2 4.09Å; M121-W229 HydrophobicContact CG-CZ2 4.38Å; M121-W229 HydrophobicContact CG-CZ3 3.8Å; M121-W229 HydrophobicContact SD-CE3 4.48Å; M121-W229 HydrophobicContact SD-CH2 3.66Å; M121-W229 HydrophobicContact SD-CZ2 4.01Å; M121-W229 HydrophobicContact SD-CZ3 3.91Å
122G93.4Very high93.3Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-61.7-30.1175.500000113H56 G118 H119 S120 V125 A126H56-G122 VanDerWaalsContact O-CA 3.31Å; H56-G122 WeakPolarHBondContact O-CA 3.02Å; H56-G122 PolarHBondContact O-N 3.08Å; H56-G122 VanDerWaalsContact O-N 3.16Å; G118-G122 VanDerWaalsContact CA-C 3.48Å; H119-G122 WeakPolarHBondContact O-CA 3.38Å; H119-G122 PolarHBondContact O-N 3.42Å; S120-G122 VanDerWaalsContact C-N 3.26Å; S120-G122 PolarHBondContact O-N 3.06Å; G122-V125 PolarHBondContact O-N 3.43Å; G122-A126 WeakPolarHBondContact O-CB 3.44Å; G122-A126 PolarHBondContact O-N 3.42Å
123G95.1Very high93.3Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-65.7-44.2171.200000112.5G118 H119 S120 M121 V125 A126 I127G118-G123 VanDerWaalsContact C-N 3.3Å; G118-G123 WeakPolarHBondContact O-CA 3.42Å; H119-G123 PolarHBondContact O-N 3.05Å; S120-G123 WeakPolarHBondContact O-CA 3.39Å; S120-G123 PolarHBondContact O-N 3.06Å; M121-G123 PolarHBondContact O-N 3.33Å; G123-V125 VanDerWaalsContact C-N 3.31Å; G123-V125 PolarHBondContact O-N 3.01Å; G123-A126 WeakPolarHBondContact O-CB 3.48Å; G123-A126 PolarHBondContact O-N 3.4Å; G123-I127 WeakPolarHBondContact O-CD1 3.46Å; G123-I127 WeakPolarHBondContact O-CG1 3.16Å; G123-I127 PolarHBondContact O-N 3.12Å
124A93Very high93Very high2 Ų226.4 Ų26.42%0.01712%0.122CC..Hα-helixtrans-60.9-40.6173.500000112.3L94 S120 M121 I127 E128 W229 F230 M233L94-A124 HydrophobicContact CD2-CB 4.22Å; S120-A124 PolarHBondContact O-N 2.91Å; M121-A124 WeakPolarHBondContact O-CB 3.38Å; M121-A124 PolarHBondContact O-N 3.27Å; M121-A124 VanDerWaalsContact O-N 3.12Å; A124-I127 PolarHBondContact O-N 3.17Å; A124-E128 PolarHBondContact O-N 2.88Å; A124-W229 HydrophobicContact CB-CB 4.19Å; A124-W229 WeakPolarHBondContact CB-O 3.49Å; A124-F230 HydrophobicContact CB-CD1 4.45Å; A124-F230 HydrophobicContact CB-CE1 4.4Å; A124-M233 HydrophobicContact CB-CE 3.62Å
125V91.9Very high92.6Very high2 Ų227.6 Ų27.61%0.01213%0.129CC..Hα-helixtrans-63.7-46.6174.6178.40000111L55 L94 L97 A99 M121 G122 G123 I127 E128 V129L55-V125 HydrophobicContact CD1-CB 4.22Å; L55-V125 HydrophobicContact CD1-CG1 3.94Å; L94-V125 HydrophobicContact CD2-CB 4.39Å; L94-V125 HydrophobicContact CD2-CG2 3.55Å; L97-V125 HydrophobicContact CB-CG1 4.38Å; L97-V125 HydrophobicContact CD1-CG2 3.43Å; L97-V125 VanDerWaalsContact CD1-CG2 3.43Å; A99-V125 HydrophobicContact CB-CG1 3.59Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 3.47Å; G122-V125 PolarHBondContact O-N 3.43Å; G123-V125 VanDerWaalsContact C-N 3.31Å; G123-V125 PolarHBondContact O-N 3.01Å; V125-I127 VanDerWaalsContact C-N 3.32Å; V125-I127 PolarHBondContact O-N 3.26Å; V125-E128 PolarHBondContact O-N 2.78Å; V125-V129 HydrophobicContact CG1-CG2 4.32Å; V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 2.94Å
126A93.8Very high92.2Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-57.1-4617800000111.6L55 L116 G122 G123 E128 V129 A130 L141L55-A126 HydrophobicContact CD1-CB 4.03Å; L116-A126 HydrophobicContact CB-CB 4Å; L116-A126 HydrophobicContact CD1-CB 4.45Å; L116-A126 WeakPolarHBondContact CD1-O 3.39Å; G122-A126 WeakPolarHBondContact O-CB 3.44Å; G122-A126 PolarHBondContact O-N 3.42Å; G123-A126 WeakPolarHBondContact O-CB 3.48Å; G123-A126 PolarHBondContact O-N 3.4Å; A126-E128 PolarHBondContact O-N 3.2Å; A126-V129 PolarHBondContact O-N 3.38Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.03Å; A126-L141 HydrophobicContact CB-CD1 3.64Å
127I94.7Very high92Very high3 Ų338.3 Ų38.32%0.01518%0.182CC..Hα-helixtrans-61.2-45.2177.2-70.6160.9000111.1G123 A124 V125 A130 R131 L141 V143 M233 K236 F237G123-I127 WeakPolarHBondContact O-CD1 3.46Å; G123-I127 WeakPolarHBondContact O-CG1 3.16Å; G123-I127 PolarHBondContact O-N 3.12Å; A124-I127 PolarHBondContact O-N 3.17Å; V125-I127 VanDerWaalsContact C-N 3.32Å; V125-I127 PolarHBondContact O-N 3.26Å; I127-A130 PolarHBondContact O-N 3.32Å; I127-R131 VanDerWaalsContact O-CB 3.27Å; I127-R131 WeakPolarHBondContact O-CB 3.38Å; I127-R131 PolarHBondContact O-N 2.93Å; I127-L141 HydrophobicContact CG1-CD2 4.14Å; I127-V143 HydrophobicContact CD1-CG1 4.45Å; I127-V143 HydrophobicContact CD1-CG2 3.95Å; I127-V143 HydrophobicContact CG1-CG2 3.9Å; I127-M233 HydrophobicContact CD1-CB 4.31Å; I127-M233 HydrophobicContact CD1-CE 3.73Å; I127-M233 HydrophobicContact CD1-CG 4.08Å; I127-K236 HydrophobicContact CG2-CB 3.44Å; I127-K236 VanDerWaalsContact CG2-CB 3.44Å; I127-F237 HydrophobicContact CD1-CB 3.91Å; I127-F237 HydrophobicContact CD1-CD2 4.32Å; I127-F237 HydrophobicContact CG1-CB 4.04Å; I127-F237 HydrophobicContact CG1-CD2 4.12Å; I127-F237 HydrophobicContact CG2-CB 4.4Å
128E91.6Very high91.8Very high25 Ų2539.4 Ų39.412%0.11719%0.188CC..Hα-helixtrans-68-38-179.3-175.660.6-166.800112.2L94 A124 V125 A126 R131 S132L94-E128 HydrophobicContact CB-CB 4.31Å; L94-E128 HydrophobicContact CB-CG 4.05Å; L94-E128 HydrophobicContact CD1-CB 4.13Å; L94-E128 HydrophobicContact CD1-CG 4.4Å; A124-E128 PolarHBondContact O-N 2.88Å; V125-E128 PolarHBondContact O-N 2.78Å; A126-E128 PolarHBondContact O-N 3.2Å; E128-R131 PolarHBondContact O-N 3.34Å; E128-R131 IonicContact OE1-CZ 3.52Å; E128-R131 IonicContact OE1-NE 3.31Å; E128-R131 PolarHBondContact OE1-NE 3.16Å; E128-R131 IonicContact OE1-NH2 2.73Å; E128-R131 PolarHBondContact OE1-NH2 2.93Å; E128-R131 IonicContact OE2-CZ 3.72Å; E128-R131 IonicContact OE2-NE 3.45Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.68Å; E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.13Å
129V90.8Very high91.8Very high22 Ų2240.2 Ų40.213%0.13319%0.194CC..Hα-helixtrans-60.1-49.9172.11700000110.1V100 L116 V125 A126 R131 S132 L135V100-V129 HydrophobicContact CG1-CB 4.45Å; V100-V129 HydrophobicContact CG1-CG1 3.39Å; V100-V129 HydrophobicContact CG1-CG2 4.19Å; L116-V129 HydrophobicContact CD1-CB 3.96Å; L116-V129 HydrophobicContact CD1-CG1 3.67Å; V125-V129 HydrophobicContact CG1-CG2 4.32Å; V125-V129 WeakPolarHBondContact O-CG2 3.46Å; V125-V129 PolarHBondContact O-N 2.94Å; A126-V129 PolarHBondContact O-N 3.38Å; V129-R131 PolarHBondContact O-N 2.81Å; V129-S132 WeakPolarHBondContact O-CB 3.41Å; V129-S132 PolarHBondContact O-N 2.82Å; V129-S132 PolarHBondContact O-OG 3.1Å; V129-L135 HydrophobicContact CG1-CB 4.48Å; V129-L135 HydrophobicContact CG1-CD2 4.4Å
130A92.3Very high91.8Very high2 Ų240.2 Ų40.22%0.01719%0.194CC..Hα-helixtrans-60-45.4179.300000112.2L116 A126 I127 S132 K133 L138 L141L116-A130 HydrophobicContact CD1-CB 4.4Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 3.03Å; I127-A130 PolarHBondContact O-N 3.32Å; A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 3Å; A130-K133 PolarHBondContact O-N 3.07Å; A130-L138 HydrophobicContact CB-CD2 3.52Å; A130-L141 HydrophobicContact CB-CD2 4.03Å
131R90.1Very high92.1Very high101 Ų10139.7 Ų39.738%0.38119%0.191SC..Hα-helixtrans-62.5-31.7177.7-168.7-160.670.771.31.3112.8I127 E128 V129 K133 K236I127-R131 VanDerWaalsContact O-CB 3.27Å; I127-R131 WeakPolarHBondContact O-CB 3.38Å; I127-R131 PolarHBondContact O-N 2.93Å; E128-R131 PolarHBondContact O-N 3.34Å; E128-R131 IonicContact OE1-CZ 3.52Å; E128-R131 IonicContact OE1-NE 3.31Å; E128-R131 PolarHBondContact OE1-NE 3.16Å; E128-R131 IonicContact OE1-NH2 2.73Å; E128-R131 PolarHBondContact OE1-NH2 2.93Å; E128-R131 IonicContact OE2-CZ 3.72Å; E128-R131 IonicContact OE2-NE 3.45Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.68Å; V129-R131 PolarHBondContact O-N 2.81Å; R131-K133 PolarHBondContact O-N 2.92Å; R131-K236 HydrophobicContact CG-CG 4.48Å
132S87.8Confident92.4Very high45 Ų4539.6 Ų39.632%0.31519%0.191SC..Hα-helixtrans-65.1-19.7179.580.30000113.5E128 V129 A130 K134E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.13Å; V129-S132 WeakPolarHBondContact O-CB 3.41Å; V129-S132 PolarHBondContact O-N 2.82Å; V129-S132 PolarHBondContact O-OG 3.1Å; A130-S132 VanDerWaalsContact C-N 3.26Å; A130-S132 PolarHBondContact O-N 3Å; S132-K134 PolarHBondContact O-N 2.71Å; S132-K134 PolarHBondContact OG-N 3.33Å
133K85.2Confident92.6Very high159 Ų15939.7 Ų39.769%0.69119%0.191SC*.THydrogen-bonded Turntrans54.817.5-175.6-57.2-176.9-179-176.70114.4A130 R131A130-K133 PolarHBondContact O-N 3.07Å; R131-K133 PolarHBondContact O-N 2.92Å
134K86.1Confident92.7Very high181 Ų18139.7 Ų39.779%0.78719%0.191SC*.  trans-82.4-17.2178.6-66-172.3176.8-1720113.7S132S132-K134 PolarHBondContact O-N 2.71Å; S132-K134 PolarHBondContact OG-N 3.33Å
135L88Confident92.7Very high26 Ų2639.7 Ų39.714%0.13619%0.191CC..  trans-97.588177.5-169.466.8000108.7V100 I103 I114 L116 V129 S137 L138V100-L135 HydrophobicContact CB-CD1 4.47Å; V100-L135 HydrophobicContact CG1-CD1 4.41Å; V100-L135 HydrophobicContact CG1-CD2 4.03Å; I103-L135 HydrophobicContact CD1-CD1 4.48Å; I114-L135 HydrophobicContact CB-CD2 4.25Å; I114-L135 HydrophobicContact CD1-CD1 3.8Å; I114-L135 HydrophobicContact CD1-CD2 4.09Å; I114-L135 HydrophobicContact CD1-CG 4.18Å; I114-L135 HydrophobicContact CG2-CD2 3.97Å; L116-L135 HydrophobicContact CD2-CD2 4.29Å; V129-L135 HydrophobicContact CG1-CB 4.48Å; V129-L135 HydrophobicContact CG1-CD2 4.4Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.49Å; L135-L138 HydrophobicContact CB-CB 4.32Å; L135-L138 HydrophobicContact CD2-CB 4.23Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CG-CB 4.27Å; L135-L138 WeakPolarHBondContact O-CB 3.44Å; L135-L138 PolarHBondContact O-N 3.14Å
136E88.6Confident92.7Very high193 Ų19340 Ų4090%0.90219%0.192SC*.THydrogen-bonded Turntrans-62.4-32.5-175-65.7-178.5176.300113L138E136-L138 PolarHBondContact O-N 3.36Å
137S91.9Very high92.5Very high31 Ų3140 Ų4022%0.21719%0.192CC..THydrogen-bonded Turntrans-80.17.8176.451.60000113.8I111 R112 S113 I114 L135 A139I111-S137 WeakPolarHBondContact O-CB 3.4Å; R112-S137 WeakPolarHBondContact O-CB 3.45Å; S113-S137 CarbonylContact C-O 3.58Å; S113-S137 WeakPolarHBondContact CA-O 3.48Å; I114-S137 WeakPolarHBondContact CD1-OG 3.38Å; I114-S137 PolarHBondContact N-O 3.39Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.49Å; S137-A139 PolarHBondContact O-N 2.79Å
138L94.8Very high92.4Very high23 Ų2341.7 Ų41.712%0.1220%0.2CC..EExtended strand (participates in β ladder)trans-63.8119.9174.9-178.266.8000110.1L116 A130 L135 E136 G140 V242L116-L138 HydrophobicContact CB-CD1 4.4Å; L116-L138 HydrophobicContact CD1-CD1 3.68Å; L116-L138 HydrophobicContact CG-CD1 3.62Å; A130-L138 HydrophobicContact CB-CD2 3.52Å; L135-L138 HydrophobicContact CB-CB 4.32Å; L135-L138 HydrophobicContact CD2-CB 4.23Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 HydrophobicContact CG-CB 4.27Å; L135-L138 WeakPolarHBondContact O-CB 3.44Å; L135-L138 PolarHBondContact O-N 3.14Å; E136-L138 PolarHBondContact O-N 3.36Å; L138-G140 VanDerWaalsContact CD1-O 3.31Å; L138-G140 WeakPolarHBondContact CD1-O 3.21Å; L138-V242 HydrophobicContact CD2-CG1 4.43Å; L138-V242 HydrophobicContact CD2-CG2 4.19Å; L138-V242 HydrophobicContact CG-CG1 4.1Å; L138-V242 HydrophobicContact CG-CG2 4.19Å; L138-V242 VanDerWaalsContact O-CG1 3.3Å; L138-V242 WeakPolarHBondContact O-CG1 3.26Å
139A96.9Very high92.2Very high17 Ų1741.3 Ų41.314%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-117.5-14.7-176.300000113.3I114 S137 P243 L300I114-A139 PolarHBondContact O-N 3.39Å; S137-A139 PolarHBondContact O-N 2.79Å; A139-P243 WeakPolarHBondContact O-CD 3.37Å; A139-L300 HydrophobicContact CB-CD1 4.48Å; A139-L300 HydrophobicContact CB-CD2 3.74Å
140G97.9Very high92Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-166.4157.8177.600000113.2I114 V115 L116 L138 P243I114-G140 PolarHBondContact O-N 2.98Å; V115-G140 WeakPolarHBondContact CA-O 3.4Å; L116-G140 PolarHBondContact N-O 3.42Å; L116-G140 VanDerWaalsContact N-O 3.08Å; L138-G140 VanDerWaalsContact CD1-O 3.31Å; L138-G140 WeakPolarHBondContact CD1-O 3.21Å; G140-P243 WeakPolarHBondContact CA-O 3.44Å
141L98.1Very high91.8Very high0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-132.6118.3178.7176.861.8000110.6L116 A126 I127 A130 V143 F237 V242 P243 K244 L245L116-L141 HydrophobicContact CB-CD1 3.98Å; A126-L141 HydrophobicContact CB-CD1 3.64Å; I127-L141 HydrophobicContact CG1-CD2 4.14Å; A130-L141 HydrophobicContact CB-CD2 4.03Å; L141-V143 HydrophobicContact CD1-CG2 4.24Å; L141-V143 HydrophobicContact CG-CG2 4.19Å; L141-F237 HydrophobicContact CD2-CD2 3.74Å; L141-F237 HydrophobicContact CD2-CE2 4.15Å; L141-F237 HydrophobicContact CG-CD2 4.33Å; L141-F237 HydrophobicContact CG-CE2 4.31Å; L141-V242 HydrophobicContact CB-CG2 4.05Å; L141-P243 PolarHBondContact N-O 3.04Å; L141-K244 HydrophobicContact CB-CG 4.36Å; L141-K244 VanDerWaalsContact O-CA 3.32Å; L141-K244 WeakPolarHBondContact O-CA 3.34Å; L141-L245 PolarHBondContact O-N 2.8Å
142V98.6Very high91.7Very high0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-113.3126.6175.5-173.80000109.4V115 L116 V117 G118 I144 L245 I247 I291 F294V115-V142 HydrophobicContact CG1-CG2 3.88Å; L116-V142 PolarHBondContact O-N 3.44Å; V117-V142 WeakPolarHBondContact CA-O 3.47Å; V117-V142 HydrophobicContact CB-CB 4.3Å; V117-V142 HydrophobicContact CG1-CB 4.05Å; V117-V142 HydrophobicContact CG1-CG1 4.07Å; V117-V142 HydrophobicContact CG2-CB 4.09Å; V117-V142 HydrophobicContact CG2-CG2 4.2Å; G118-V142 PolarHBondContact N-O 3.23Å; V142-I144 HydrophobicContact CG1-CG1 4.33Å; V142-L245 CarbonylContact C-O 3.57Å; V142-L245 WeakPolarHBondContact CA-O 3.37Å; V142-L245 HydrophobicContact CG1-CB 4.25Å; V142-L245 HydrophobicContact CG1-CD2 3.91Å; V142-L245 HydrophobicContact CG1-CG 4.11Å; V142-L245 HydrophobicContact CG2-CB 4.16Å; V142-L245 HydrophobicContact CG2-CD2 4.24Å; V142-I247 HydrophobicContact CG1-CD1 4.26Å; V142-I291 HydrophobicContact CG1-CD1 3.97Å; V142-I291 HydrophobicContact CG1-CG1 4.19Å; V142-F294 HydrophobicContact CG2-CD1 4.4Å; V142-F294 HydrophobicContact CG2-CE1 4.21Å
143V97.8Very high91.7Very high2 Ų245.5 Ų45.51%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-120.5128.3179178.10000108.6I127 L141 V146 F237 L245 L246 I247I127-V143 HydrophobicContact CD1-CG1 4.45Å; I127-V143 HydrophobicContact CD1-CG2 3.95Å; I127-V143 HydrophobicContact CG1-CG2 3.9Å; L141-V143 HydrophobicContact CD1-CG2 4.24Å; L141-V143 HydrophobicContact CG-CG2 4.19Å; V143-V146 HydrophobicContact CG1-CG1 3.28Å; V143-F237 HydrophobicContact CB-CE2 4.32Å; V143-F237 HydrophobicContact CG2-CD2 3.81Å; V143-F237 HydrophobicContact CG2-CE2 3.79Å; V143-L245 PolarHBondContact N-O 2.92Å; V143-L246 HydrophobicContact CB-CD1 3.97Å; V143-L246 HydrophobicContact CG1-CD1 3.91Å; V143-L246 WeakPolarHBondContact O-CA 3.45Å; V143-I247 PolarHBondContact O-N 2.81Å
144I97.3Very high91.8Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-115.2121.3-177.1-51-170.7000109.9W65 V117 G118 H119 S120 V142 V146 I247 V279 H280 V287W65-I144 HydrophobicContact CH2-CD1 3.75Å; W65-I144 HydrophobicContact CZ3-CD1 4Å; V117-I144 HydrophobicContact CG1-CD1 4.1Å; G118-I144 PolarHBondContact O-N 3.2Å; H119-I144 WeakPolarHBondContact CA-O 3.3Å; H119-I144 HydrophobicContact CB-CB 4.38Å; S120-I144 PolarHBondContact N-O 2.85Å; V142-I144 HydrophobicContact CG1-CG1 4.33Å; I144-V146 PolarHBondContact O-N 2.83Å; I144-I247 WeakPolarHBondContact CA-O 3.43Å; I144-I247 HydrophobicContact CD1-CD1 4.35Å; I144-I247 HydrophobicContact CG1-CB 4.34Å; I144-I247 HydrophobicContact CG1-CD1 4.35Å; I144-I247 HydrophobicContact CG2-CB 4.41Å; I144-I247 HydrophobicContact CG2-CG2 4.49Å; I144-V279 HydrophobicContact CG2-CB 3.84Å; I144-V279 HydrophobicContact CG2-CG2 4.17Å; I144-H280 HydrophobicContact CD1-CB 4.19Å; I144-V287 HydrophobicContact CD1-CG1 3.95Å
145D93.6Very high91.8Very high1 Ų133.6 Ų33.61%0.00518%0.176CC..SBendtrans50.947.1169.9-154.343.7000114.6I247 A249 R253 H277 V279D145-I247 PolarHBondContact N-O 3.4Å; D145-A249 PolarHBondContact OD1-N 3.46Å; D145-A249 VanDerWaalsContact OD1-N 3.14Å; D145-R253 WeakPolarHBondContact OD1-CD 3.41Å; D145-R253 IonicContact OD1-CZ 2.89Å; D145-R253 IonicContact OD1-NE 2.85Å; D145-R253 PolarHBondContact OD1-NE 3Å; D145-R253 IonicContact OD1-NH1 3.33Å; D145-R253 PolarHBondContact OD1-NH1 3.48Å; D145-R253 VanDerWaalsContact OD1-NH1 3.1Å; D145-R253 IonicContact OD2-CZ 3.45Å; D145-R253 IonicContact OD2-NH1 3.21Å; D145-R253 PolarHBondContact OD2-NH1 2.98Å; D145-R253 IonicContact OD2-NH2 3.36Å; D145-R253 PolarHBondContact OD2-NH2 2.73Å; D145-H277 WeakPolarHBondContact OD2-CA 3.25Å; D145-H277 IonicContact OD2-CE1 2.7Å; D145-H277 IonicContact OD2-CG 3.14Å; D145-H277 IonicContact OD2-ND1 2.73Å; D145-H277 PolarHBondContact OD2-ND1 3.32Å; D145-V279 HydrophobicContact CB-CG2 3.85Å
146V91.1Very high91.5Very high8 Ų834.9 Ų34.95%0.04820%0.196CC..  trans-147.1127.4170.966.30000111.6V143 I144 A151 F230 M233V143-V146 HydrophobicContact CG1-CG1 3.28Å; I144-V146 PolarHBondContact O-N 2.83Å; V146-A151 HydrophobicContact CG2-CB 4.16Å; V146-F230 HydrophobicContact CG2-CD1 3.74Å; V146-F230 HydrophobicContact CG2-CE1 3.68Å; V146-M233 HydrophobicContact CB-CE 4.36Å; V146-M233 HydrophobicContact CG1-CE 3.8Å; V146-M233 HydrophobicContact CG1-SD 4.47Å; V146-M233 HydrophobicContact CG2-CE 3.66Å; V146-M233 HydrophobicContact CG2-SD 3.71Å
147V90.4Very high91.4Very high0 Ų028.8 Ų28.80%018%0.178CC..  trans-138.4140175174.90000107.3G149 S150 A151 L246 L248 R253 D255 L258V147-G149 PolarHBondContact O-N 2.8Å; V147-S150 PolarHBondContact O-N 3.07Å; V147-S150 PolarHBondContact O-OG 2.96Å; V147-A151 WeakPolarHBondContact O-CB 3.37Å; V147-A151 PolarHBondContact O-N 3.27Å; V147-L246 HydrophobicContact CG2-CD2 4.22Å; V147-L248 HydrophobicContact CG2-CD2 3.75Å; V147-R253 WeakPolarHBondContact CB-O 3.31Å; V147-R253 WeakPolarHBondContact CG1-O 3.38Å; V147-D255 HydrophobicContact CG1-CB 3.96Å; V147-D255 WeakPolarHBondContact CG1-OD2 3.14Å; V147-L258 HydrophobicContact CB-CD1 4.21Å; V147-L258 HydrophobicContact CG1-CD1 3.61Å; V147-L258 HydrophobicContact CG1-CG 4.44Å; V147-L258 HydrophobicContact CG2-CD1 3.83Å
148E91.8Very high91.1Very high40 Ų4029.9 Ų29.919%0.18718%0.18CC..Hα-helixtrans-53.4-54.7-172.6171.2168.7-175.600112.7S150 A151 I152 F230 G232 M233 S234E148-S150 PolarHBondContact O-N 2.82Å; E148-A151 PolarHBondContact O-N 3.23Å; E148-I152 HydrophobicContact CG-CD1 4.03Å; E148-I152 WeakPolarHBondContact O-CG1 3.4Å; E148-I152 PolarHBondContact O-N 2.57Å; E148-F230 VanDerWaalsContact CG-O 3.26Å; E148-F230 WeakPolarHBondContact CG-O 3Å; E148-G232 WeakPolarHBondContact OE1-CA 3.46Å; E148-G232 PolarHBondContact OE1-N 3.36Å; E148-G232 WeakPolarHBondContact OE2-CA 3.43Å; E148-G232 PolarHBondContact OE2-N 3.41Å; E148-G232 VanDerWaalsContact OE2-N 3.16Å; E148-M233 HydrophobicContact CB-CG 4.08Å; E148-M233 HydrophobicContact CB-SD 4.46Å; E148-M233 PolarHBondContact OE2-N 2.86Å; E148-S234 WeakPolarHBondContact CB-OG 3.32Å; E148-S234 PolarHBondContact OE2-N 2.85Å
149G87.5Confident90.7Very high17 Ų1732 Ų3218%0.17519%0.189CC..Hα-helixtrans-59.6-45.7-174.800000113.1V147 R153 D255V147-G149 PolarHBondContact O-N 2.8Å; G149-R153 WeakPolarHBondContact O-CG 3.45Å; G149-R153 PolarHBondContact O-N 3.15Å; G149-R153 PolarHBondContact O-NH1 3.21Å; G149-R153 VanDerWaalsContact O-NH1 3.14Å; G149-D255 PolarHBondContact N-OD2 2.99Å
150S86.7Confident90.4Very high12 Ų1233.1 Ų33.18%0.08420%0.202CC..Hα-helixtrans-74.2-37.5179.653.80000112.1V147 E148 R153 S154 R253V147-S150 PolarHBondContact O-N 3.07Å; V147-S150 PolarHBondContact O-OG 2.96Å; E148-S150 PolarHBondContact O-N 2.82Å; S150-R153 PolarHBondContact O-N 3.07Å; S150-S154 WeakPolarHBondContact O-CB 3.25Å; S150-S154 PolarHBondContact O-N 2.87Å; S150-S154 PolarHBondContact O-OG 3.07Å; S150-R253 PolarHBondContact OG-O 3.18Å; S150-R253 VanDerWaalsContact OG-O 3.06Å
151A87.8Confident89.9Confident16 Ų1637 Ų3713%0.13223%0.225CC..Hα-helixtrans-62.6-47.5177.200000111.8V146 V147 E148 R153 S154 L155 F230V146-A151 HydrophobicContact CG2-CB 4.16Å; V147-A151 WeakPolarHBondContact O-CB 3.37Å; V147-A151 PolarHBondContact O-N 3.27Å; E148-A151 PolarHBondContact O-N 3.23Å; A151-R153 PolarHBondContact O-N 3.32Å; A151-S154 PolarHBondContact O-N 2.97Å; A151-S154 VanDerWaalsContact O-N 3.1Å; A151-L155 WeakPolarHBondContact O-CG 3.4Å; A151-L155 PolarHBondContact O-N 3.08Å; A151-L155 VanDerWaalsContact O-N 3.16Å; A151-F230 HydrophobicContact CB-CB 4.02Å; A151-F230 HydrophobicContact CB-CD1 3.86Å; A151-F230 HydrophobicContact CB-CD2 4.02Å; A151-F230 HydrophobicContact CB-CE1 4.37Å; A151-F230 HydrophobicContact CB-CG 3.67Å
152I89Confident89.5Confident64 Ų6437.7 Ų37.733%0.32823%0.229SC..Hα-helixtrans-61.3-44.8178.7-70-175.3000111.2E148 S154 L155 F230E148-I152 HydrophobicContact CG-CD1 4.03Å; E148-I152 WeakPolarHBondContact O-CG1 3.4Å; E148-I152 PolarHBondContact O-N 2.57Å; I152-S154 PolarHBondContact O-N 3.01Å; I152-L155 WeakPolarHBondContact O-CB 3.45Å; I152-L155 WeakPolarHBondContact O-CG 3.4Å; I152-L155 PolarHBondContact O-N 2.86Å; I152-F230 HydrophobicContact CG1-CB 4.12Å
153R87.8Confident89.1Confident166 Ų16646.7 Ų46.763%0.62626%0.263SS*.Hα-helixtrans-61-33.5175.5-71.4-171.5-57.8-94.58112.4G149 S150 A151G149-R153 WeakPolarHBondContact O-CG 3.45Å; G149-R153 PolarHBondContact O-N 3.15Å; G149-R153 PolarHBondContact O-NH1 3.21Å; G149-R153 VanDerWaalsContact O-NH1 3.14Å; S150-R153 PolarHBondContact O-N 3.07Å; A151-R153 PolarHBondContact O-N 3.32Å
154S86.5Confident88.7Confident61 Ų6150.8 Ų50.843%0.42729%0.292SS..Hα-helixtrans-81.5-11.6-176.9-56.10000113.9S150 A151 I152 G156 A157 M158S150-S154 WeakPolarHBondContact O-CB 3.25Å; S150-S154 PolarHBondContact O-N 2.87Å; S150-S154 PolarHBondContact O-OG 3.07Å; A151-S154 PolarHBondContact O-N 2.97Å; A151-S154 VanDerWaalsContact O-N 3.1Å; I152-S154 PolarHBondContact O-N 3.01Å; S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 3.16Å; S154-A157 PolarHBondContact O-N 3.07Å; S154-A157 VanDerWaalsContact O-N 3.13Å; S154-M158 PolarHBondContact O-N 3.02Å
155L85.7Confident88.5Confident28 Ų2852.9 Ų52.915%0.14730%0.3CS..Hα-helixtrans-58.1-38.4-179.6-66.3-175.9000112.6A151 I152 M158 W226 E227 F230A151-L155 WeakPolarHBondContact O-CG 3.4Å; A151-L155 PolarHBondContact O-N 3.08Å; A151-L155 VanDerWaalsContact O-N 3.16Å; I152-L155 WeakPolarHBondContact O-CB 3.45Å; I152-L155 WeakPolarHBondContact O-CG 3.4Å; I152-L155 PolarHBondContact O-N 2.86Å; L155-M158 PolarHBondContact O-N 2.78Å; L155-W226 HydrophobicContact CD1-CB 4.23Å; L155-W226 HydrophobicContact CD2-CB 3.69Å; L155-W226 HydrophobicContact CD2-CD2 4.45Å; L155-W226 HydrophobicContact CD2-CE3 4.08Å; L155-W226 HydrophobicContact CD2-CG 4.36Å; L155-E227 HydrophobicContact CD1-CB 4.3Å; L155-F230 HydrophobicContact CD2-CD2 3.92Å; L155-F230 HydrophobicContact CD2-CE2 3.73Å
156G82.3Confident88.6Confident54 Ų5454.8 Ų54.856%0.55731%0.312SS*.Hα-helixtrans-63.6-46.4176.200000112.2S154 M158 K159S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 3.16Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3.31Å; G156-K159 PolarHBondContact O-N 3.01Å
157A86.2Confident88.6Confident64 Ų6459.3 Ų59.353%0.52934%0.344SS..Hα-helixtrans-66.5-33.6179.100000112.6S154 K159 G160 V161S154-A157 PolarHBondContact O-N 3.07Å; S154-A157 VanDerWaalsContact O-N 3.13Å; A157-K159 PolarHBondContact O-N 3.46Å; A157-G160 WeakPolarHBondContact O-CA 3.26Å; A157-G160 PolarHBondContact O-N 3.08Å; A157-V161 PolarHBondContact O-N 3.45Å; A157-V161 VanDerWaalsContact O-N 3.08Å
158M86.3Confident88.9Confident55 Ų5560.7 Ų60.727%0.27135%0.354SS..Hα-helixtrans-57.7-34.4179.4-174.2173.6-79.400112.3S154 L155 G156 G160 V161 L162 W226S154-M158 PolarHBondContact O-N 3.02Å; L155-M158 PolarHBondContact O-N 2.78Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3.31Å; M158-G160 VanDerWaalsContact C-N 3.33Å; M158-G160 PolarHBondContact O-N 3.13Å; M158-V161 PolarHBondContact O-N 2.94Å; M158-L162 HydrophobicContact CG-CD1 4.24Å; M158-L162 HydrophobicContact CG-CG 4.33Å; M158-L162 WeakPolarHBondContact O-CB 3.3Å; M158-L162 VanDerWaalsContact O-CG 3.31Å; M158-L162 WeakPolarHBondContact O-CG 2.99Å; M158-L162 PolarHBondContact O-N 3.42Å; M158-W226 HydrophobicContact CB-CZ3 4.13Å; M158-W226 HydrophobicContact CG-CH2 4.02Å; M158-W226 HydrophobicContact CG-CZ3 4.04Å; M158-W226 HydrophobicContact SD-CD2 4.28Å; M158-W226 HydrophobicContact SD-CE3 4.15Å; M158-W226 HydrophobicContact SD-CH2 4Å; M158-W226 HydrophobicContact SD-CZ2 4.11Å; M158-W226 HydrophobicContact SD-CZ3 4Å
159K86.6Confident89.1Confident67 Ų6759.5 Ų59.529%0.29135%0.348SS..Hα-helixtrans-61.5-42173.8-63.4-176-176.5-168.30112.2G156 A157 L162 R163 F220 E223 W226G156-K159 PolarHBondContact O-N 3.01Å; A157-K159 PolarHBondContact O-N 3.46Å; K159-L162 PolarHBondContact O-N 3.2Å; K159-R163 WeakPolarHBondContact O-CB 3.44Å; K159-R163 WeakPolarHBondContact O-CG 3.31Å; K159-R163 PolarHBondContact O-N 2.93Å; K159-F220 HydrophobicContact CB-CE1 4.21Å; K159-F220 HydrophobicContact CG-CE1 4.4Å; K159-F220 WeakPolarHBondContact O-CZ 3.42Å; K159-E223 WeakPolarHBondContact CE-OE1 3.3Å; K159-E223 VanDerWaalsContact CE-OE2 3.3Å; K159-E223 WeakPolarHBondContact CE-OE2 3.48Å; K159-E223 VanDerWaalsContact NZ-CD 3.27Å; K159-E223 IonicContact NZ-OE1 3.1Å; K159-E223 PolarHBondContact NZ-OE1 3.36Å; K159-E223 IonicContact NZ-OE2 2.71Å; K159-W226 HydrophobicContact CG-CZ3 4.19Å
160G89.3Confident89.4Confident41 Ų4161.8 Ų61.842%0.42337%0.365SS..Hα-helixtrans-61.6-49.1176.400000111.2A157 M158 L162 R163 S164A157-G160 WeakPolarHBondContact O-CA 3.26Å; A157-G160 PolarHBondContact O-N 3.08Å; M158-G160 VanDerWaalsContact C-N 3.33Å; M158-G160 PolarHBondContact O-N 3.13Å; G160-L162 VanDerWaalsContact C-N 3.32Å; G160-L162 PolarHBondContact O-N 3.19Å; G160-R163 PolarHBondContact O-N 3.38Å; G160-R163 VanDerWaalsContact O-N 3.16Å; G160-S164 PolarHBondContact O-N 2.82Å; G160-S164 PolarHBondContact O-OG 2.96Å
161V87.1Confident89.7Confident80 Ų8062.7 Ų62.749%0.48537%0.371SS..Hα-helixtrans-58.2-43.1177.7175.80000111.8A157 M158 S164A157-V161 PolarHBondContact O-N 3.45Å; A157-V161 VanDerWaalsContact O-N 3.08Å; M158-V161 PolarHBondContact O-N 2.94Å; V161-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-OG 2.82Å
162L89.4Confident90.1Very high16 Ų1662.9 Ų62.98%0.08437%0.37CS..Hα-helixtrans-71.5-32.1179.4-69.4178000112.7M158 K159 G160 R165 L219 F220 W226M158-L162 HydrophobicContact CG-CD1 4.24Å; M158-L162 HydrophobicContact CG-CG 4.33Å; M158-L162 WeakPolarHBondContact O-CB 3.3Å; M158-L162 VanDerWaalsContact O-CG 3.31Å; M158-L162 WeakPolarHBondContact O-CG 2.99Å; M158-L162 PolarHBondContact O-N 3.42Å; K159-L162 PolarHBondContact O-N 3.2Å; G160-L162 VanDerWaalsContact C-N 3.32Å; G160-L162 PolarHBondContact O-N 3.19Å; L162-R165 PolarHBondContact O-N 3.1Å; L162-L219 HydrophobicContact CD1-CB 3.9Å; L162-L219 HydrophobicContact CD1-CD2 4.04Å; L162-L219 HydrophobicContact CD1-CG 4.13Å; L162-L219 HydrophobicContact CD2-CB 4.18Å; L162-L219 HydrophobicContact CD2-CD2 3.96Å; L162-F220 HydrophobicContact CB-CD2 4.23Å; L162-F220 HydrophobicContact CB-CE1 3.96Å; L162-F220 HydrophobicContact CB-CE2 3.38Å; L162-F220 HydrophobicContact CB-CZ 3.19Å; L162-F220 HydrophobicContact CD1-CD1 4.33Å; L162-F220 HydrophobicContact CD1-CD2 4.43Å; L162-F220 HydrophobicContact CD1-CE1 4.19Å; L162-F220 HydrophobicContact CD1-CE2 4.3Å; L162-F220 HydrophobicContact CD1-CG 4.43Å; L162-F220 HydrophobicContact CD1-CZ 4.16Å; L162-F220 HydrophobicContact CG-CE2 4.49Å; L162-F220 HydrophobicContact CG-CZ 4.34Å; L162-W226 HydrophobicContact CD1-CH2 3.67Å; L162-W226 HydrophobicContact CD1-CZ2 3.92Å
163R90.3Very high90.4Very high188 Ų18862.5 Ų62.571%0.70937%0.367SS*.Hα-helixtrans-71.3-29.9175.7-76.5178.9-172.5160.8-0.6112.5K159 G160 R165 F220K159-R163 WeakPolarHBondContact O-CB 3.44Å; K159-R163 WeakPolarHBondContact O-CG 3.31Å; K159-R163 PolarHBondContact O-N 2.93Å; G160-R163 PolarHBondContact O-N 3.38Å; G160-R163 VanDerWaalsContact O-N 3.16Å; R163-R165 VanDerWaalsContact C-N 3.26Å; R163-R165 PolarHBondContact O-N 2.85Å; R163-F220 HydrophobicContact CB-CZ 4.48Å; R163-F220 HydrophobicContact CG-CE1 4.38Å; R163-F220 HydrophobicContact CG-CE2 4.37Å; R163-F220 HydrophobicContact CG-CZ 3.64Å
164S89.7Confident90.8Very high89 Ų8959.6 Ų59.662%0.62236%0.359SS*.THydrogen-bonded Turntrans-78.8-7.7178.863.50000113.6G160 V161G160-S164 PolarHBondContact O-N 2.82Å; G160-S164 PolarHBondContact O-OG 2.96Å; V161-S164 PolarHBondContact O-N 2.88Å; V161-S164 PolarHBondContact O-OG 2.82Å
165R93.2Very high91.3Very high44 Ų4456.7 Ų56.717%0.16634%0.338CS..SBendtrans-69.9136.4177.1-70.2-179.9174.7-171.9-1110.7L162 R163 S167 W178 W215L162-R165 PolarHBondContact O-N 3.1Å; R163-R165 VanDerWaalsContact C-N 3.26Å; R163-R165 PolarHBondContact O-N 2.85Å; R165-S167 PolarHBondContact O-N 2.74Å; R165-W178 HydrophobicContact CG-CH2 3.91Å; R165-W178 HydrophobicContact CG-CZ2 4.24Å; R165-W215 HydrophobicContact CB-CZ2 4.03Å; R165-W215 HydrophobicContact CG-CZ2 4.02Å
166P95.2Very high91.9Very high41 Ų4155.4 Ų55.427%0.26633%0.331SS..  trans-53.8136.9167.8-2534.8000110.7S168 F169 W178 W215P166-S168 VanDerWaalsContact C-N 3.31Å; P166-F169 HydrophobicContact CB-CE1 3.95Å; P166-F169 HydrophobicContact CB-CE2 4.24Å; P166-F169 HydrophobicContact CB-CZ 3.72Å; P166-F169 HydrophobicContact CG-CE1 3.87Å; P166-F169 HydrophobicContact CG-CZ 3.68Å; P166-W178 VanDerWaalsContact CD-CZ2 3.47Å; P166-W178 HydrophobicContact CG-CD2 4.32Å; P166-W178 HydrophobicContact CG-CG 4.34Å; P166-W178 HydrophobicContact CG-CZ2 4.42Å; P166-W215 PolarHBondContact O-NE1 3.47Å
167S93.1Very high92.6Very high103 Ų10353.9 Ų53.972%0.7231%0.31SS*.SBendtrans-73-25.6-179.859.20000112.8R165R165-S167 PolarHBondContact O-N 2.74Å
168S95.1Very high93.1Very high28 Ų2853.7 Ų53.720%0.19630%0.296CS..  trans-154.6161.1174.968.40000112.2P166 R212 Y213P166-S168 VanDerWaalsContact C-N 3.31Å; S168-R212 PolarHBondContact OG-NE 2.85Å; S168-Y213 CarbonylContact C-O 3.59Å; S168-Y213 WeakPolarHBondContact CA-O 3.37Å; S168-Y213 WeakPolarHBondContact CB-O 3.27Å
169F95.6Very high93.6Very high15 Ų1551 Ų517%0.06628%0.283CS..BIsolated β-bridgetrans-121.2148.2173.3-64.2-82.5000110.8P166 A175 W178 F199 R212 Y213 W215P166-F169 HydrophobicContact CB-CE1 3.95Å; P166-F169 HydrophobicContact CB-CE2 4.24Å; P166-F169 HydrophobicContact CB-CZ 3.72Å; P166-F169 HydrophobicContact CG-CE1 3.87Å; P166-F169 HydrophobicContact CG-CZ 3.68Å; F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 4.17Å; F169-A175 HydrophobicContact CD2-CB 3.67Å; F169-A175 HydrophobicContact CE2-CB 4.18Å; F169-A175 HydrophobicContact CG-CB 3.66Å; F169-W178 HydrophobicContact CD1-CB 4.46Å; F169-W178 HydrophobicContact CE1-CB 3.5Å; F169-W178 VanDerWaalsContact CE1-CB 3.5Å; F169-W178 HydrophobicContact CE1-CD2 4.03Å; F169-W178 HydrophobicContact CE1-CE3 4.43Å; F169-W178 AromaticContact CE1-CG 3.6Å; F169-W178 HydrophobicContact CE1-CG 3.6Å; F169-W178 HydrophobicContact CZ-CB 3.97Å; F169-W178 AromaticContact CZ-CD2 3.62Å; F169-W178 HydrophobicContact CZ-CD2 3.62Å; F169-W178 AromaticContact CZ-CE3 3.71Å; F169-W178 HydrophobicContact CZ-CE3 3.71Å; F169-W178 AromaticContact CZ-CG 3.73Å; F169-W178 HydrophobicContact CZ-CG 3.73Å; F169-F199 HydrophobicContact CD2-CD1 4.21Å; F169-F199 AromaticContact CD2-CE1 3.58Å; F169-F199 HydrophobicContact CD2-CE1 3.58Å; F169-F199 AromaticContact CD2-CZ 3.98Å; F169-F199 HydrophobicContact CD2-CZ 3.98Å; F169-F199 AromaticContact CE2-CE1 3.47Å; F169-F199 HydrophobicContact CE2-CE1 3.47Å; F169-F199 VanDerWaalsContact CE2-CE1 3.47Å; F169-F199 AromaticContact CE2-CZ 3.64Å; F169-F199 HydrophobicContact CE2-CZ 3.64Å; F169-R212 CarbonylContact O-C 3.58Å; F169-R212 WeakPolarHBondContact O-CA 3.44Å; F169-Y213 PolarHBondContact N-O 2.68Å; F169-Y213 PolarHBondContact O-N 3.2Å; F169-W215 HydrophobicContact CE2-CZ2 4.21Å
170A93.8Very high94.1Very high65 Ų6548.9 Ų48.954%0.53728%0.275SS..SBendtrans-75.6-24.4178.500000113.1
171S94.2Very high94.4Very high31 Ų3155.3 Ų55.322%0.21729%0.286CS..SBendtrans-152.3167.5175.686.30000110.7E173 K174 A175S171-E173 VanDerWaalsContact C-N 3.33Å; S171-E173 WeakPolarHBondContact CB-OE2 3.35Å; S171-E173 PolarHBondContact OG-N 3.41Å; S171-E173 PolarHBondContact OG-OE2 3.42Å; S171-K174 PolarHBondContact O-N 3.2Å; S171-K174 PolarHBondContact OG-N 3.08Å; S171-A175 PolarHBondContact O-N 3.48Å
172M95.1Very high94.7Very high20 Ų2054 Ų5410%0.09928%0.281CS..Hα-helixtrans-66.3-37.8175.7-168.959.764.600111.4P19 K174 A175 I176 P196 F199 Y213P19-M172 HydrophobicContact CB-CG 4.05Å; P19-M172 HydrophobicContact CG-CB 4.46Å; P19-M172 HydrophobicContact CG-CG 4.23Å; M172-K174 VanDerWaalsContact C-N 3.27Å; M172-K174 PolarHBondContact O-N 3.08Å; M172-A175 WeakPolarHBondContact O-CB 3.35Å; M172-A175 PolarHBondContact O-N 2.94Å; M172-A175 VanDerWaalsContact O-N 3.1Å; M172-I176 HydrophobicContact CG-CD1 3.97Å; M172-I176 WeakPolarHBondContact O-CG1 3.31Å; M172-I176 PolarHBondContact O-N 2.75Å; M172-P196 HydrophobicContact CE-CB 4.37Å; M172-P196 HydrophobicContact CG-CG 4.11Å; M172-P196 HydrophobicContact SD-CB 4.17Å; M172-P196 HydrophobicContact SD-CG 4.07Å; M172-F199 HydrophobicContact CE-CB 4.1Å; M172-F199 HydrophobicContact SD-CB 4.45Å; M172-F199 HydrophobicContact SD-CD2 4.16Å; M172-Y213 HydrophobicContact CE-CD1 3.46Å; M172-Y213 VanDerWaalsContact CE-CD1 3.46Å; M172-Y213 HydrophobicContact CE-CE1 3.46Å; M172-Y213 VanDerWaalsContact CE-CE1 3.46Å; M172-Y213 HydrophobicContact CE-CG 4.22Å
173E96.6Very high94.9Very high57 Ų5758.7 Ų58.727%0.26630%0.302SS..Hα-helixtrans-60-39.2176.7-60.674.2-16300111.1Y17 P19 S171 I176 E177Y17-E173 WeakPolarHBondContact O-CA 3.45Å; P19-E173 WeakPolarHBondContact CD-OE1 3.4Å; S171-E173 VanDerWaalsContact C-N 3.33Å; S171-E173 WeakPolarHBondContact CB-OE2 3.35Å; S171-E173 PolarHBondContact OG-N 3.41Å; S171-E173 PolarHBondContact OG-OE2 3.42Å; E173-I176 PolarHBondContact O-N 2.9Å; E173-E177 VanDerWaalsContact O-CB 3.28Å; E173-E177 WeakPolarHBondContact O-CB 3.31Å; E173-E177 PolarHBondContact O-N 2.86Å
174K96.3Very high95.1Very high105 Ų10550.9 Ų50.946%0.45727%0.274SS..Hα-helixtrans-70.1-33.5175.6-70.9-64176-169.30113S171 M172 E177 W178S171-K174 PolarHBondContact O-N 3.2Å; S171-K174 PolarHBondContact OG-N 3.08Å; M172-K174 VanDerWaalsContact C-N 3.27Å; M172-K174 PolarHBondContact O-N 3.08Å; K174-E177 WeakPolarHBondContact CD-OE2 3.48Å; K174-E177 IonicContact NZ-OE2 2.76Å; K174-E177 PolarHBondContact NZ-OE2 3.2Å; K174-W178 VanDerWaalsContact O-CB 3.31Å; K174-W178 WeakPolarHBondContact O-CB 3.49Å; K174-W178 PolarHBondContact O-N 2.95Å
175A96.5Very high95.4Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-67.1-44172.900000111.3F169 S171 M172 W178 S179 F199F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 4.17Å; F169-A175 HydrophobicContact CD2-CB 3.67Å; F169-A175 HydrophobicContact CE2-CB 4.18Å; F169-A175 HydrophobicContact CG-CB 3.66Å; S171-A175 PolarHBondContact O-N 3.48Å; M172-A175 WeakPolarHBondContact O-CB 3.35Å; M172-A175 PolarHBondContact O-N 2.94Å; M172-A175 VanDerWaalsContact O-N 3.1Å; A175-W178 PolarHBondContact O-N 3.04Å; A175-S179 PolarHBondContact O-N 3.45Å; A175-F199 HydrophobicContact CB-CD2 3.89Å; A175-F199 HydrophobicContact CB-CE1 4.39Å; A175-F199 HydrophobicContact CB-CE2 3.6Å; A175-F199 HydrophobicContact CB-CG 4.46Å; A175-F199 HydrophobicContact CB-CZ 3.87Å
176I97.6Very high95.5Very high0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-62.4-49.9175-67161.1000110.4Y17 P19 M172 E173 W178 S179 V180 A191 R192 M195Y17-I176 HydrophobicContact CD1-CG2 4.01Å; Y17-I176 HydrophobicContact CG-CG2 4.44Å; Y17-I176 WeakPolarHBondContact O-CD1 3.31Å; P19-I176 HydrophobicContact CB-CD1 3.91Å; M172-I176 HydrophobicContact CG-CD1 3.97Å; M172-I176 WeakPolarHBondContact O-CG1 3.31Å; M172-I176 PolarHBondContact O-N 2.75Å; E173-I176 PolarHBondContact O-N 2.9Å; I176-W178 VanDerWaalsContact C-N 3.31Å; I176-W178 PolarHBondContact O-N 2.77Å; I176-S179 PolarHBondContact O-N 3.06Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; I176-V180 PolarHBondContact O-N 3.27Å; I176-A191 HydrophobicContact CG2-CB 4.22Å; I176-R192 HydrophobicContact CG2-CG 3.97Å; I176-M195 HydrophobicContact CG1-CB 3.76Å; I176-M195 HydrophobicContact CG1-CG 4.24Å
177E97.5Very high95.6Very high23 Ų2349.7 Ų49.711%0.10725%0.253CS..Hα-helixtrans-55.4-46.9177.4178.2173.2-157.300111.3Y17 E173 K174 S179 V180 R181Y17-E177 HydrophobicContact CD1-CB 4.28Å; Y17-E177 HydrophobicContact CD2-CB 3.66Å; Y17-E177 HydrophobicContact CD2-CG 3.87Å; Y17-E177 HydrophobicContact CE2-CB 3.93Å; Y17-E177 HydrophobicContact CE2-CG 3.64Å; Y17-E177 HydrophobicContact CG-CB 3.83Å; Y17-E177 HydrophobicContact CG-CG 4.46Å; E173-E177 VanDerWaalsContact O-CB 3.28Å; E173-E177 WeakPolarHBondContact O-CB 3.31Å; E173-E177 PolarHBondContact O-N 2.86Å; K174-E177 WeakPolarHBondContact CD-OE2 3.48Å; K174-E177 IonicContact NZ-OE2 2.76Å; K174-E177 PolarHBondContact NZ-OE2 3.2Å; E177-S179 PolarHBondContact O-N 3.45Å; E177-V180 PolarHBondContact O-N 2.89Å; E177-R181 HydrophobicContact CG-CG 4.33Å; E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.19Å; E177-R181 IonicContact OE1-CZ 3.27Å; E177-R181 IonicContact OE1-NE 3.52Å; E177-R181 PolarHBondContact OE1-NE 3.27Å; E177-R181 IonicContact OE1-NH2 2.96Å; E177-R181 PolarHBondContact OE1-NH2 2.78Å
178W96.7Very high95.8Very high59 Ų5946.2 Ų46.222%0.22323%0.228CC..Hα-helixtrans-62.1-41.7177.4174.387.5000112R165 P166 F169 K174 A175 I176 V180 R181 S182 W215R165-W178 HydrophobicContact CG-CH2 3.91Å; R165-W178 HydrophobicContact CG-CZ2 4.24Å; P166-W178 VanDerWaalsContact CD-CZ2 3.47Å; P166-W178 HydrophobicContact CG-CD2 4.32Å; P166-W178 HydrophobicContact CG-CG 4.34Å; P166-W178 HydrophobicContact CG-CZ2 4.42Å; F169-W178 HydrophobicContact CD1-CB 4.46Å; F169-W178 HydrophobicContact CE1-CB 3.5Å; F169-W178 VanDerWaalsContact CE1-CB 3.5Å; F169-W178 HydrophobicContact CE1-CD2 4.03Å; F169-W178 HydrophobicContact CE1-CE3 4.43Å; F169-W178 AromaticContact CE1-CG 3.6Å; F169-W178 HydrophobicContact CE1-CG 3.6Å; F169-W178 HydrophobicContact CZ-CB 3.97Å; F169-W178 AromaticContact CZ-CD2 3.62Å; F169-W178 HydrophobicContact CZ-CD2 3.62Å; F169-W178 AromaticContact CZ-CE3 3.71Å; F169-W178 HydrophobicContact CZ-CE3 3.71Å; F169-W178 AromaticContact CZ-CG 3.73Å; F169-W178 HydrophobicContact CZ-CG 3.73Å; K174-W178 VanDerWaalsContact O-CB 3.31Å; K174-W178 WeakPolarHBondContact O-CB 3.49Å; K174-W178 PolarHBondContact O-N 2.95Å; A175-W178 PolarHBondContact O-N 3.04Å; I176-W178 VanDerWaalsContact C-N 3.31Å; I176-W178 PolarHBondContact O-N 2.77Å; W178-V180 VanDerWaalsContact C-N 3.25Å; W178-V180 PolarHBondContact O-N 2.93Å; W178-R181 PolarHBondContact O-N 2.97Å; W178-S182 VanDerWaalsContact O-CB 3.25Å; W178-S182 WeakPolarHBondContact O-CB 3.3Å; W178-S182 PolarHBondContact O-N 2.67Å; W178-S182 PolarHBondContact O-OG 2.92Å; W178-W215 HydrophobicContact CE3-CH2 4.49Å; W178-W215 HydrophobicContact CE3-CZ2 4.44Å; W178-W215 HydrophobicContact CH2-CH2 4.13Å; W178-W215 AromaticContact CH2-CZ2 3.96Å; W178-W215 HydrophobicContact CH2-CZ2 3.96Å; W178-W215 AromaticContact CZ3-CH2 3.63Å; W178-W215 HydrophobicContact CZ3-CH2 3.63Å; W178-W215 AromaticContact CZ3-CZ2 3.72Å; W178-W215 HydrophobicContact CZ3-CZ2 3.72Å
179S96.6Very high95.9Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-61.3-35.5-179.374.50000112.7A175 I176 E177 S182 Q184 V185 M195A175-S179 PolarHBondContact O-N 3.45Å; I176-S179 PolarHBondContact O-N 3.06Å; I176-S179 VanDerWaalsContact O-N 3.11Å; I176-S179 PolarHBondContact O-OG 3.3Å; E177-S179 PolarHBondContact O-N 3.45Å; S179-S182 PolarHBondContact O-OG 3.1Å; S179-Q184 WeakPolarHBondContact O-CB 3.38Å; S179-Q184 PolarHBondContact O-N 2.63Å; S179-V185 PolarHBondContact O-N 2.97Å; S179-M195 WeakPolarHBondContact CB-SD 3.34Å; S179-M195 WeakPolarHBondContact OG-CG 3.5Å
180V96.6Very high96Very high22 Ų2248.8 Ų48.813%0.13324%0.237CC..Hα-helixtrans-75.9-48.4176.5177.80000110.9Y17 I176 E177 W178 S182 E183 V185 V188 A191Y17-V180 HydrophobicContact CE1-CB 4.32Å; Y17-V180 HydrophobicContact CE1-CG2 4.28Å; I176-V180 PolarHBondContact O-N 3.27Å; E177-V180 PolarHBondContact O-N 2.89Å; W178-V180 VanDerWaalsContact C-N 3.25Å; W178-V180 PolarHBondContact O-N 2.93Å; V180-S182 VanDerWaalsContact C-N 3.3Å; V180-S182 PolarHBondContact O-N 2.96Å; V180-E183 PolarHBondContact O-N 3.04Å; V180-V185 WeakPolarHBondContact CA-O 3.34Å; V180-V188 HydrophobicContact CG1-CG2 3.9Å; V180-V188 HydrophobicContact CG2-CG2 4.17Å; V180-A191 HydrophobicContact CG2-CB 3.7Å
181R95.8Very high96.2Very high175 Ų17545.7 Ų45.766%0.6621%0.211SC*.Hα-helixtrans-67.5-29-177.7-71.9-175.8-179-88.45.5113.8E177 W178E177-R181 HydrophobicContact CG-CG 4.33Å; E177-R181 WeakPolarHBondContact O-CB 3.48Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.19Å; E177-R181 IonicContact OE1-CZ 3.27Å; E177-R181 IonicContact OE1-NE 3.52Å; E177-R181 PolarHBondContact OE1-NE 3.27Å; E177-R181 IonicContact OE1-NH2 2.96Å; E177-R181 PolarHBondContact OE1-NH2 2.78Å; W178-R181 PolarHBondContact O-N 2.97Å
182S94.4Very high96.4Very high52 Ų5247.7 Ų47.736%0.36421%0.214SC..THydrogen-bonded Turntrans-83.31.717461.60000113.2W178 S179 V180 Q184W178-S182 VanDerWaalsContact O-CB 3.25Å; W178-S182 WeakPolarHBondContact O-CB 3.3Å; W178-S182 PolarHBondContact O-N 2.67Å; W178-S182 PolarHBondContact O-OG 2.92Å; S179-S182 PolarHBondContact O-OG 3.1Å; V180-S182 VanDerWaalsContact C-N 3.3Å; V180-S182 PolarHBondContact O-N 2.96Å; S182-Q184 PolarHBondContact O-N 2.82Å
183E93.8Very high96.5Very high115 Ų11546.8 Ų46.854%0.53721%0.21SC..THydrogen-bonded Turntrans56.123.3-174.1-54.4-168.8179.200114.4V180 V185 R186V180-E183 PolarHBondContact O-N 3.04Å; E183-V185 VanDerWaalsContact C-N 3.29Å; E183-R186 HydrophobicContact CB-CG 4.43Å; E183-R186 IonicContact OE2-CZ 3.8Å; E183-R186 IonicContact OE2-NE 3.84Å; E183-R186 IonicContact OE2-NH2 3.07Å; E183-R186 PolarHBondContact OE2-NH2 3.41Å
184Q93.4Very high96.6Very high25 Ų2544.1 Ų44.112%0.11720%0.197CC..SBendtrans-63.8-41.3171.8-173-179.5-73.900110.6S179 S182S179-Q184 WeakPolarHBondContact O-CB 3.38Å; S179-Q184 PolarHBondContact O-N 2.63Å; S182-Q184 PolarHBondContact O-N 2.82Å
185V95.7Very high96.6Very high0 Ų039.1 Ų39.10%018%0.175CC..SBendtrans-136.7116.5170.3176.60000107.5S179 V180 E183 A191 M195 C278 E281S179-V185 PolarHBondContact O-N 2.97Å; V180-V185 WeakPolarHBondContact CA-O 3.34Å; E183-V185 VanDerWaalsContact C-N 3.29Å; V185-A191 HydrophobicContact CB-CB 4.28Å; V185-A191 HydrophobicContact CG1-CB 4.06Å; V185-M195 HydrophobicContact CB-CE 4.18Å; V185-M195 HydrophobicContact CG2-CE 3.42Å; V185-M195 VanDerWaalsContact CG2-CE 3.42Å; V185-C278 HydrophobicContact CG2-CB 4.4Å; V185-E281 HydrophobicContact CG1-CB 3.79Å; V185-E281 HydrophobicContact CG2-CB 4.4Å; V185-E281 WeakPolarHBondContact CG2-OE2 3.22Å
186R95.6Very high96.5Very high111 Ų11140.6 Ų40.642%0.41919%0.185SC..  trans-78.2-27.9-175-63.6179.2168.3-171.2-5.9112.1E183 V188 H274 D282E183-R186 HydrophobicContact CB-CG 4.43Å; E183-R186 IonicContact OE2-CZ 3.8Å; E183-R186 IonicContact OE2-NE 3.84Å; E183-R186 IonicContact OE2-NH2 3.07Å; E183-R186 PolarHBondContact OE2-NH2 3.41Å; R186-V188 PolarHBondContact O-N 3.01Å; R186-H274 PolarHBondContact NH1-O 3.24Å; R186-D282 WeakPolarHBondContact CB-OD1 3.24Å; R186-D282 PolarHBondContact N-OD1 2.85Å
187N96.8Very high96.3Very high37 Ų3741 Ų4120%0.19819%0.189CC..  trans-82.8111.7178.2-177.1-3.4000111.6E189 S190 A191 E281N187-E189 VanDerWaalsContact C-N 3.29Å; N187-E189 PolarHBondContact O-N 3.02Å; N187-E189 WeakPolarHBondContact OD1-CB 3.41Å; N187-E189 PolarHBondContact OD1-N 3.26Å; N187-S190 PolarHBondContact O-N 3.26Å; N187-A191 WeakPolarHBondContact O-CB 3.49Å; N187-A191 PolarHBondContact O-N 3.26Å; N187-E281 WeakPolarHBondContact CB-O 3.41Å; N187-E281 PolarHBondContact ND2-O 2.9Å; N187-E281 VanDerWaalsContact ND2-O 3.11Å
188V97.5Very high96.2Very high30 Ų3040 Ų4018%0.18218%0.184CC..Hα-helixtrans-59.7-38.8178.3179.60000111.9R16 Y17 V180 R186 A191 R192R16-V188 HydrophobicContact CG-CG1 4.37Å; Y17-V188 HydrophobicContact CD1-CG1 4.3Å; Y17-V188 HydrophobicContact CE1-CG1 4.32Å; V180-V188 HydrophobicContact CG1-CG2 3.9Å; V180-V188 HydrophobicContact CG2-CG2 4.17Å; R186-V188 PolarHBondContact O-N 3.01Å; V188-A191 PolarHBondContact O-N 2.96Å; V188-R192 HydrophobicContact CG1-CG 4.33Å; V188-R192 WeakPolarHBondContact O-CD 3.5Å; V188-R192 WeakPolarHBondContact O-CG 3.48Å; V188-R192 PolarHBondContact O-N 2.89Å
189E97.7Very high96Very high97 Ų9737.3 Ų37.345%0.45317%0.174SC..Hα-helixtrans-62.1-50179.3-173.1-173.2158.800110.8Y25 N187 A191 R192Y25-E189 WeakPolarHBondContact CE1-OE1 3.45Å; Y25-E189 WeakPolarHBondContact OH-CG 3.48Å; Y25-E189 PolarHBondContact OH-OE1 3.16Å; N187-E189 VanDerWaalsContact C-N 3.29Å; N187-E189 PolarHBondContact O-N 3.02Å; N187-E189 WeakPolarHBondContact OD1-CB 3.41Å; N187-E189 PolarHBondContact OD1-N 3.26Å; E189-A191 PolarHBondContact O-N 3.33Å; E189-R192 PolarHBondContact O-N 3.34Å
190S98.2Very high95.8Very high0 Ų040.2 Ų40.20%019%0.189CC..Hα-helixtrans-62.1-44.6177.9-166.50000111.6C67 N187 R192 V193 S194 E281C67-S190 VanDerWaalsContact SG-CA 3.55Å; N187-S190 PolarHBondContact O-N 3.26Å; S190-R192 VanDerWaalsContact C-N 3.3Å; S190-R192 PolarHBondContact O-N 3.03Å; S190-V193 VanDerWaalsContact O-CG1 3.23Å; S190-V193 WeakPolarHBondContact O-CG1 3.42Å; S190-V193 PolarHBondContact O-N 3.17Å; S190-S194 WeakPolarHBondContact O-CB 3.44Å; S190-S194 PolarHBondContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.41Å; S190-S194 VanDerWaalsContact O-OG 3.05Å; S190-E281 WeakPolarHBondContact CB-O 3.41Å; S190-E281 WeakPolarHBondContact OG-CA 3.29Å; S190-E281 VanDerWaalsContact OG-CB 3.28Å; S190-E281 WeakPolarHBondContact OG-CB 3.48Å; S190-E281 WeakPolarHBondContact OG-CG 3.37Å; S190-E281 PolarHBondContact OG-OE2 3.17Å
191A98.1Very high95.5Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-58.5-39178.100000112.9I176 V180 V185 N187 V188 E189 V193 M195I176-A191 HydrophobicContact CG2-CB 4.22Å; V180-A191 HydrophobicContact CG2-CB 3.7Å; V185-A191 HydrophobicContact CB-CB 4.28Å; V185-A191 HydrophobicContact CG1-CB 4.06Å; N187-A191 WeakPolarHBondContact O-CB 3.49Å; N187-A191 PolarHBondContact O-N 3.26Å; V188-A191 PolarHBondContact O-N 2.96Å; E189-A191 PolarHBondContact O-N 3.33Å; A191-V193 VanDerWaalsContact C-N 3.27Å; A191-V193 PolarHBondContact O-N 3.18Å; A191-M195 HydrophobicContact CB-CG 4.31Å; A191-M195 VanDerWaalsContact O-CB 3.24Å; A191-M195 WeakPolarHBondContact O-CB 3.39Å; A191-M195 WeakPolarHBondContact O-CG 3.44Å; A191-M195 PolarHBondContact O-N 3.12Å; A191-M195 VanDerWaalsContact O-N 3.1Å
192R98.2Very high95.1Very high74 Ų7440.8 Ų40.828%0.27920%0.2SC..Hα-helixtrans-64.3-29.2-179.2-72.816873.3-165.80.6113.4R16 A18 P19 V20 I176 V188 E189 S190R16-R192 WeakPolarHBondContact O-CD 3.37Å; A18-R192 PolarHBondContact O-NE 2.78Å; A18-R192 PolarHBondContact O-NH2 3.32Å; P19-R192 WeakPolarHBondContact CA-O 3.37Å; V20-R192 HydrophobicContact CB-CB 4.35Å; V20-R192 HydrophobicContact CG2-CB 3.95Å; V20-R192 PolarHBondContact N-O 3.02Å; I176-R192 HydrophobicContact CG2-CG 3.97Å; V188-R192 HydrophobicContact CG1-CG 4.33Å; V188-R192 WeakPolarHBondContact O-CD 3.5Å; V188-R192 WeakPolarHBondContact O-CG 3.48Å; V188-R192 PolarHBondContact O-N 2.89Å; E189-R192 PolarHBondContact O-N 3.34Å; S190-R192 VanDerWaalsContact C-N 3.3Å; S190-R192 PolarHBondContact O-N 3.03Å
193V98Very high94.1Very high1 Ų147.5 Ų47.51%0.00623%0.225CC..Hα-helixtrans-98.2-34.1178.260.70000112.8V20 Y25 L63 A66 S190 A191V20-V193 HydrophobicContact CB-CB 4.39Å; Y25-V193 HydrophobicContact CD2-CB 4.16Å; Y25-V193 HydrophobicContact CD2-CG1 4.23Å; Y25-V193 HydrophobicContact CD2-CG2 3.73Å; Y25-V193 HydrophobicContact CE2-CB 3.83Å; Y25-V193 HydrophobicContact CE2-CG1 3.86Å; Y25-V193 HydrophobicContact CE2-CG2 3.93Å; L63-V193 WeakPolarHBondContact CD1-O 3.29Å; A66-V193 HydrophobicContact CB-CB 4.25Å; A66-V193 HydrophobicContact CB-CG1 3.49Å; A66-V193 VanDerWaalsContact CB-CG1 3.49Å; A66-V193 HydrophobicContact CB-CG2 3.7Å; S190-V193 VanDerWaalsContact O-CG1 3.23Å; S190-V193 WeakPolarHBondContact O-CG1 3.42Å; S190-V193 PolarHBondContact O-N 3.17Å; A191-V193 VanDerWaalsContact C-N 3.27Å; A191-V193 PolarHBondContact O-N 3.18Å
194S97.5Very high92.8Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-82.2-39.1-174.573.90000113.5S190 G197 E281S190-S194 WeakPolarHBondContact O-CB 3.44Å; S190-S194 PolarHBondContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.41Å; S190-S194 VanDerWaalsContact O-OG 3.05Å; S194-G197 PolarHBondContact O-N 3.04Å; S194-E281 WeakPolarHBondContact CB-OE2 3.4Å; S194-E281 PolarHBondContact OG-OE2 3.34Å
195M96.5Very high91.4Very high0 Ų049.5 Ų49.50%026%0.255CS..G310 helixtrans-61.1-40.1-175.9-68.3-61.3126.700113.9I176 S179 V185 A191 G197 Q198 F199I176-M195 HydrophobicContact CG1-CB 3.76Å; I176-M195 HydrophobicContact CG1-CG 4.24Å; S179-M195 WeakPolarHBondContact CB-SD 3.34Å; S179-M195 WeakPolarHBondContact OG-CG 3.5Å; V185-M195 HydrophobicContact CB-CE 4.18Å; V185-M195 HydrophobicContact CG2-CE 3.42Å; V185-M195 VanDerWaalsContact CG2-CE 3.42Å; A191-M195 HydrophobicContact CB-CG 4.31Å; A191-M195 VanDerWaalsContact O-CB 3.24Å; A191-M195 WeakPolarHBondContact O-CB 3.39Å; A191-M195 WeakPolarHBondContact O-CG 3.44Å; A191-M195 PolarHBondContact O-N 3.12Å; A191-M195 VanDerWaalsContact O-N 3.1Å; M195-G197 PolarHBondContact O-N 3.46Å; M195-Q198 VanDerWaalsContact CE-NE2 3.29Å; M195-Q198 WeakPolarHBondContact O-CA 3.33Å; M195-Q198 WeakPolarHBondContact O-CB 3.33Å; M195-Q198 PolarHBondContact O-N 3.45Å; M195-F199 HydrophobicContact CB-CE2 4.23Å; M195-F199 WeakPolarHBondContact O-CD2 3.5Å; M195-F199 HydrophobicContact SD-CE2 4.29Å
196P95.1Very high89.8Confident32 Ų3255.5 Ų55.521%0.20828%0.283CS..G310 helixtrans-53.1-29.1174-28.636000114.2P19 M172 Q198P19-P196 HydrophobicContact CB-CG 3.94Å; M172-P196 HydrophobicContact CE-CB 4.37Å; M172-P196 HydrophobicContact CG-CG 4.11Å; M172-P196 HydrophobicContact SD-CB 4.17Å; M172-P196 HydrophobicContact SD-CG 4.07Å; P196-Q198 VanDerWaalsContact C-N 3.27Å; P196-Q198 PolarHBondContact O-N 3.16Å
197G93.3Very high88.2Confident7 Ų756.8 Ų56.87%0.07231%0.305CS..G310 helixtrans-69.3-20.9174.200000114.3S194 M195 R216S194-G197 PolarHBondContact O-N 3.04Å; M195-G197 PolarHBondContact O-N 3.46Å; G197-R216 WeakPolarHBondContact O-CD 3.5Å; G197-R216 PolarHBondContact O-NE 3.25Å
198Q94.5Very high86.5Confident2 Ų261 Ų611%0.00933%0.332CS..G310 helixtrans-96.4-7.3-175.8-54.9-174.529.500113.4M195 P196 W215 R216M195-Q198 VanDerWaalsContact CE-NE2 3.29Å; M195-Q198 WeakPolarHBondContact O-CA 3.33Å; M195-Q198 WeakPolarHBondContact O-CB 3.33Å; M195-Q198 PolarHBondContact O-N 3.45Å; P196-Q198 VanDerWaalsContact C-N 3.27Å; P196-Q198 PolarHBondContact O-N 3.16Å; Q198-W215 HydrophobicContact CB-CZ3 4.36Å; Q198-R216 VanDerWaalsContact O-CB 3.32Å; Q198-R216 WeakPolarHBondContact O-CB 3.21Å; Q198-R216 PolarHBondContact O-N 3.14Å
199F93.5Very high84.7Confident3 Ų362.8 Ų62.81%0.01335%0.346CS..EExtended strand (participates in β ladder)trans-120.9153.6-178-63.1-75.2000112.7F169 M172 A175 M195 Y213 I214 W215 R216F169-F199 HydrophobicContact CD2-CD1 4.21Å; F169-F199 AromaticContact CD2-CE1 3.58Å; F169-F199 HydrophobicContact CD2-CE1 3.58Å; F169-F199 AromaticContact CD2-CZ 3.98Å; F169-F199 HydrophobicContact CD2-CZ 3.98Å; F169-F199 AromaticContact CE2-CE1 3.47Å; F169-F199 HydrophobicContact CE2-CE1 3.47Å; F169-F199 VanDerWaalsContact CE2-CE1 3.47Å; F169-F199 AromaticContact CE2-CZ 3.64Å; F169-F199 HydrophobicContact CE2-CZ 3.64Å; M172-F199 HydrophobicContact CE-CB 4.1Å; M172-F199 HydrophobicContact SD-CB 4.45Å; M172-F199 HydrophobicContact SD-CD2 4.16Å; A175-F199 HydrophobicContact CB-CD2 3.89Å; A175-F199 HydrophobicContact CB-CE1 4.39Å; A175-F199 HydrophobicContact CB-CE2 3.6Å; A175-F199 HydrophobicContact CB-CG 4.46Å; A175-F199 HydrophobicContact CB-CZ 3.87Å; M195-F199 HydrophobicContact CB-CE2 4.23Å; M195-F199 WeakPolarHBondContact O-CD2 3.5Å; M195-F199 HydrophobicContact SD-CE2 4.29Å; F199-Y213 HydrophobicContact CB-CD1 4.44Å; F199-I214 CarbonylContact C-O 3.54Å; F199-I214 VanDerWaalsContact CA-O 3.29Å; F199-I214 WeakPolarHBondContact CA-O 3.43Å; F199-W215 HydrophobicContact CD1-CD2 4.4Å; F199-W215 HydrophobicContact CD1-CE3 4.43Å; F199-W215 AromaticContact CE1-CD2 3.61Å; F199-W215 HydrophobicContact CE1-CD2 3.61Å; F199-W215 AromaticContact CE1-CE2 3.73Å; F199-W215 AromaticContact CE1-CE3 3.69Å; F199-W215 HydrophobicContact CE1-CE3 3.69Å; F199-W215 HydrophobicContact CE1-CG 4.18Å; F199-W215 HydrophobicContact CE1-CH2 4.06Å; F199-W215 AromaticContact CE1-CZ2 3.95Å; F199-W215 HydrophobicContact CE1-CZ2 3.95Å; F199-W215 AromaticContact CE1-CZ3 3.92Å; F199-W215 HydrophobicContact CE1-CZ3 3.92Å; F199-W215 HydrophobicContact CE2-CZ3 4.35Å; F199-W215 HydrophobicContact CZ-CD2 4.14Å; F199-W215 AromaticContact CZ-CE3 3.86Å; F199-W215 HydrophobicContact CZ-CE3 3.86Å; F199-W215 AromaticContact CZ-CH2 3.59Å; F199-W215 HydrophobicContact CZ-CH2 3.59Å; F199-W215 AromaticContact CZ-CZ2 3.86Å; F199-W215 HydrophobicContact CZ-CZ2 3.86Å; F199-W215 AromaticContact CZ-CZ3 3.58Å; F199-W215 HydrophobicContact CZ-CZ3 3.58Å; F199-R216 PolarHBondContact O-NH2 3.45Å
200I91.8Very high83.5Confident61 Ų6164.4 Ų64.431%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-127.9147.7167.957.6177.9000109.2R202 Y213 I214 R216I200-R202 PolarHBondContact O-N 3.37Å; I200-Y213 WeakPolarHBondContact O-CA 3.34Å; I200-I214 HydrophobicContact CD1-CD1 4.21Å; I200-I214 HydrophobicContact CD1-CG1 4.19Å; I200-I214 HydrophobicContact CG1-CD1 4.19Å; I200-I214 HydrophobicContact CG1-CG1 3.63Å; I200-I214 PolarHBondContact N-O 3.29Å; I200-I214 PolarHBondContact O-N 3.01Å; I200-R216 HydrophobicContact CG2-CB 4Å; I200-R216 HydrophobicContact CG2-CG 3.94Å; I200-R216 VanDerWaalsContact CG2-CZ 3.43Å; I200-R216 VanDerWaalsContact CG2-NH1 3.29Å
201A90.6Very high82.8Confident52 Ų5272.2 Ų72.243%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-66.6130.5168.700000108.6E203 Y213A201-E203 PolarHBondContact O-N 3.46Å; A201-Y213 HydrophobicContact CB-CE1 4.34Å
202R86.6Confident82.6Confident158 Ų15877 Ų7760%0.59641%0.41SS*.  trans-69.6119.9172.5-175.1174.9178.4170-2.1107.7I200 S204 R212 I214I200-R202 PolarHBondContact O-N 3.37Å; R202-S204 PolarHBondContact O-N 3.21Å; R202-S204 VanDerWaalsContact O-N 3.15Å; R202-R212 WeakPolarHBondContact CB-O 3.38Å; R202-R212 PolarHBondContact N-O 2.9Å; R202-I214 HydrophobicContact CB-CD1 4.41Å; R202-I214 HydrophobicContact CB-CG1 4.48Å; R202-I214 HydrophobicContact CB-CG2 4.23Å
203E74.2Confident82.4Confident193 Ų19376.2 Ų76.290%0.90241%0.407SS*.  trans-64.9114.2170.4-70.3178.2-175.900108.1A201A201-E203 PolarHBondContact O-N 3.46Å
204S66.1Low82.2Confident57 Ų5778.4 Ų78.440%0.39942%0.418SS..  trans-98.1127.2169.5169.70000107.5R202 E206 C209R202-S204 PolarHBondContact O-N 3.21Å; R202-S204 VanDerWaalsContact O-N 3.15Å; S204-E206 PolarHBondContact O-N 3.33Å; S204-E206 PolarHBondContact OG-N 3.09Å; S204-E206 VanDerWaalsContact OG-N 3.1Å; S204-E206 PolarHBondContact OG-O 3.1Å; S204-C209 VanDerWaalsContact OG-CB 3.31Å; S204-C209 WeakPolarHBondContact OG-CB 3.33Å
205S64Low82Confident125 Ų12580.4 Ų80.487%0.87443%0.426SS*.SBendtrans-68.7-16.3170.443.70000112.6
206E62.8Low81.7Confident126 Ų12684.9 Ų84.959%0.58944%0.443SS*.SBendtrans-102.4124.9179.3-69.7-179.3-179.300110.9S204 T208 C209S204-E206 PolarHBondContact O-N 3.33Å; S204-E206 PolarHBondContact OG-N 3.09Å; S204-E206 VanDerWaalsContact OG-N 3.1Å; S204-E206 PolarHBondContact OG-O 3.1Å; E206-T208 PolarHBondContact O-N 3.46Å; E206-T208 VanDerWaalsContact O-N 3.13Å; E206-C209 PolarHBondContact O-N 3.2Å
207P61Low81.3Confident137 Ų13784.1 Ų84.189%0.8944%0.437SS*.THydrogen-bonded Turntrans-64.4-15.7-178.4-2.97.3000114.2
208T60.4Low81Confident125 Ų12587.5 Ų87.577%0.76745%0.454SS*.THydrogen-bonded Turntrans-93-7.6-174.650.40000113.9E206E206-T208 PolarHBondContact O-N 3.46Å; E206-T208 VanDerWaalsContact O-N 3.13Å
209C61.6Low80.6Confident68 Ų6888 Ų8846%0.45946%0.456SS..SBendtrans-83.5125.7179.7-165.60000110.8S204 E206 K211S204-C209 VanDerWaalsContact OG-CB 3.31Å; S204-C209 WeakPolarHBondContact OG-CB 3.33Å; E206-C209 PolarHBondContact O-N 3.2Å; C209-K211 PolarHBondContact O-N 2.84Å
210D71.6Confident80.3Confident132 Ų13290.9 Ų90.971%0.70647%0.469SS*.  trans-50.4129.8173.6-77.1-28.7000111R212D210-R212 WeakPolarHBondContact O-CG 3.49Å; D210-R212 PolarHBondContact O-N 3.04Å
211K84Confident80Confident164 Ų16493.5 Ų93.571%0.71348%0.478SS*.  trans-54.5110.9176.4-77.4179.9179.1173.90109.6C209C209-K211 PolarHBondContact O-N 2.84Å
212R92.6Very high79.7Confident101 Ų10191 Ų9138%0.38146%0.458SS..  trans-101146.2172.7-54.1-162.29393.2-0.4110.9S168 F169 R202 D210S168-R212 PolarHBondContact OG-NE 2.85Å; F169-R212 CarbonylContact O-C 3.58Å; F169-R212 WeakPolarHBondContact O-CA 3.44Å; R202-R212 WeakPolarHBondContact CB-O 3.38Å; R202-R212 PolarHBondContact N-O 2.9Å; D210-R212 WeakPolarHBondContact O-CG 3.49Å; D210-R212 PolarHBondContact O-N 3.04Å
213Y94.4Very high79.8Confident57 Ų5787 Ų8722%0.22445%0.446CS..EExtended strand (participates in β ladder)trans-102.1130.4174.5-67.7-89.6000110S168 F169 M172 F199 I200 A201S168-Y213 CarbonylContact C-O 3.59Å; S168-Y213 WeakPolarHBondContact CA-O 3.37Å; S168-Y213 WeakPolarHBondContact CB-O 3.27Å; F169-Y213 PolarHBondContact N-O 2.68Å; F169-Y213 PolarHBondContact O-N 3.2Å; M172-Y213 HydrophobicContact CE-CD1 3.46Å; M172-Y213 VanDerWaalsContact CE-CD1 3.46Å; M172-Y213 HydrophobicContact CE-CE1 3.46Å; M172-Y213 VanDerWaalsContact CE-CE1 3.46Å; M172-Y213 HydrophobicContact CE-CG 4.22Å; F199-Y213 HydrophobicContact CB-CD1 4.44Å; I200-Y213 WeakPolarHBondContact O-CA 3.34Å; A201-Y213 HydrophobicContact CB-CE1 4.34Å
214I94.3Very high80.4Confident47 Ų4784.1 Ų84.124%0.24143%0.432CS..EExtended strand (participates in β ladder)trans-118.7157.8176.360.8173.8000109.7F199 I200 R202 R216F199-I214 CarbonylContact C-O 3.54Å; F199-I214 VanDerWaalsContact CA-O 3.29Å; F199-I214 WeakPolarHBondContact CA-O 3.43Å; I200-I214 HydrophobicContact CD1-CD1 4.21Å; I200-I214 HydrophobicContact CD1-CG1 4.19Å; I200-I214 HydrophobicContact CG1-CD1 4.19Å; I200-I214 HydrophobicContact CG1-CG1 3.63Å; I200-I214 PolarHBondContact N-O 3.29Å; I200-I214 PolarHBondContact O-N 3.01Å; R202-I214 HydrophobicContact CB-CD1 4.41Å; R202-I214 HydrophobicContact CB-CG1 4.48Å; R202-I214 HydrophobicContact CB-CG2 4.23Å; I214-R216 PolarHBondContact O-N 3.19Å
215W93.3Very high81.3Confident41 Ų4183.4 Ų83.416%0.15542%0.422CS..EExtended strand (participates in β ladder)trans-56.2124.4175-64.296000110.2R165 P166 F169 W178 Q198 F199 T217R165-W215 HydrophobicContact CB-CZ2 4.03Å; R165-W215 HydrophobicContact CG-CZ2 4.02Å; P166-W215 PolarHBondContact O-NE1 3.47Å; F169-W215 HydrophobicContact CE2-CZ2 4.21Å; W178-W215 HydrophobicContact CE3-CH2 4.49Å; W178-W215 HydrophobicContact CE3-CZ2 4.44Å; W178-W215 HydrophobicContact CH2-CH2 4.13Å; W178-W215 AromaticContact CH2-CZ2 3.96Å; W178-W215 HydrophobicContact CH2-CZ2 3.96Å; W178-W215 AromaticContact CZ3-CH2 3.63Å; W178-W215 HydrophobicContact CZ3-CH2 3.63Å; W178-W215 AromaticContact CZ3-CZ2 3.72Å; W178-W215 HydrophobicContact CZ3-CZ2 3.72Å; Q198-W215 HydrophobicContact CB-CZ3 4.36Å; F199-W215 HydrophobicContact CD1-CD2 4.4Å; F199-W215 HydrophobicContact CD1-CE3 4.43Å; F199-W215 AromaticContact CE1-CD2 3.61Å; F199-W215 HydrophobicContact CE1-CD2 3.61Å; F199-W215 AromaticContact CE1-CE2 3.73Å; F199-W215 AromaticContact CE1-CE3 3.69Å; F199-W215 HydrophobicContact CE1-CE3 3.69Å; F199-W215 HydrophobicContact CE1-CG 4.18Å; F199-W215 HydrophobicContact CE1-CH2 4.06Å; F199-W215 AromaticContact CE1-CZ2 3.95Å; F199-W215 HydrophobicContact CE1-CZ2 3.95Å; F199-W215 AromaticContact CE1-CZ3 3.92Å; F199-W215 HydrophobicContact CE1-CZ3 3.92Å; F199-W215 HydrophobicContact CE2-CZ3 4.35Å; F199-W215 HydrophobicContact CZ-CD2 4.14Å; F199-W215 AromaticContact CZ-CE3 3.86Å; F199-W215 HydrophobicContact CZ-CE3 3.86Å; F199-W215 AromaticContact CZ-CH2 3.59Å; F199-W215 HydrophobicContact CZ-CH2 3.59Å; F199-W215 AromaticContact CZ-CZ2 3.86Å; F199-W215 HydrophobicContact CZ-CZ2 3.86Å; F199-W215 AromaticContact CZ-CZ3 3.58Å; F199-W215 HydrophobicContact CZ-CZ3 3.58Å; W215-T217 PolarHBondContact O-N 3.17Å; W215-T217 VanDerWaalsContact O-N 3.17Å
216R90.5Very high82.5Confident95 Ų9577.6 Ų77.636%0.35838%0.381SS..SBendtrans-54.3-35.1176.5178.1178.2-59.8-78.6-4.5111.4G197 Q198 F199 I200 I214G197-R216 WeakPolarHBondContact O-CD 3.5Å; G197-R216 PolarHBondContact O-NE 3.25Å; Q198-R216 VanDerWaalsContact O-CB 3.32Å; Q198-R216 WeakPolarHBondContact O-CB 3.21Å; Q198-R216 PolarHBondContact O-N 3.14Å; F199-R216 PolarHBondContact O-NH2 3.45Å; I200-R216 HydrophobicContact CG2-CB 4Å; I200-R216 HydrophobicContact CG2-CG 3.94Å; I200-R216 VanDerWaalsContact CG2-CZ 3.43Å; I200-R216 VanDerWaalsContact CG2-NH1 3.29Å; I214-R216 PolarHBondContact O-N 3.19Å
217T86.5Confident83.8Confident15 Ų1576.4 Ų76.49%0.09238%0.375CS..SBendtrans-122126-172.5-78.70000110.2H87 W215 L219H87-T217 HydrophobicContact CB-CG2 3.2Å; H87-T217 PolarHBondContact N-OG1 3.1Å; W215-T217 PolarHBondContact O-N 3.17Å; W215-T217 VanDerWaalsContact O-N 3.17Å; T217-L219 HydrophobicContact CG2-CB 4.45Å; T217-L219 HydrophobicContact CG2-CD1 4.39Å; T217-L219 PolarHBondContact O-N 2.96Å
218N87.3Confident85Confident78 Ų7872.1 Ų72.142%0.41736%0.357SS..  trans-86.888.5167.4-174.9-13.8000109.8H87 F220 K221H87-N218 VanDerWaalsContact O-O 3.13Å; N218-F220 PolarHBondContact O-N 2.83Å; N218-F220 VanDerWaalsContact O-N 3.13Å; N218-F220 WeakPolarHBondContact OD1-CB 3.48Å; N218-F220 PolarHBondContact OD1-N 3.17Å; N218-K221 HydrophobicContact CB-CD 4.28Å; N218-K221 HydrophobicContact CB-CG 4.2Å; N218-K221 WeakPolarHBondContact O-CB 3.49Å; N218-K221 PolarHBondContact O-N 2.75Å
219L86Confident86.3Confident12 Ų1266.7 Ų66.76%0.06332%0.322CS..G310 helixtrans-60.3-26.7-175.1-162.162.8000112.7H87 L162 T217 K221 T222 W226H87-L219 WeakPolarHBondContact CD2-CD1 3.32Å; L162-L219 HydrophobicContact CD1-CB 3.9Å; L162-L219 HydrophobicContact CD1-CD2 4.04Å; L162-L219 HydrophobicContact CD1-CG 4.13Å; L162-L219 HydrophobicContact CD2-CB 4.18Å; L162-L219 HydrophobicContact CD2-CD2 3.96Å; T217-L219 HydrophobicContact CG2-CB 4.45Å; T217-L219 HydrophobicContact CG2-CD1 4.39Å; T217-L219 PolarHBondContact O-N 2.96Å; L219-K221 PolarHBondContact O-N 3.18Å; L219-T222 WeakPolarHBondContact O-CB 3.19Å; L219-T222 PolarHBondContact O-N 3.11Å; L219-T222 PolarHBondContact O-OG1 2.91Å; L219-W226 HydrophobicContact CG-CZ2 4.11Å; L219-W226 WeakPolarHBondContact O-CZ2 3.32Å
220F86.5Confident87.7Confident64 Ų6463.8 Ų63.828%0.28130%0.302SS..G310 helixtrans-59-32.4174.5-75.1-72.8000113.3K159 L162 R163 N218 T222 E223K159-F220 HydrophobicContact CB-CE1 4.21Å; K159-F220 HydrophobicContact CG-CE1 4.4Å; K159-F220 WeakPolarHBondContact O-CZ 3.42Å; L162-F220 HydrophobicContact CB-CD2 4.23Å; L162-F220 HydrophobicContact CB-CE1 3.96Å; L162-F220 HydrophobicContact CB-CE2 3.38Å; L162-F220 HydrophobicContact CB-CZ 3.19Å; L162-F220 HydrophobicContact CD1-CD1 4.33Å; L162-F220 HydrophobicContact CD1-CD2 4.43Å; L162-F220 HydrophobicContact CD1-CE1 4.19Å; L162-F220 HydrophobicContact CD1-CE2 4.3Å; L162-F220 HydrophobicContact CD1-CG 4.43Å; L162-F220 HydrophobicContact CD1-CZ 4.16Å; L162-F220 HydrophobicContact CG-CE2 4.49Å; L162-F220 HydrophobicContact CG-CZ 4.34Å; R163-F220 HydrophobicContact CB-CZ 4.48Å; R163-F220 HydrophobicContact CG-CE1 4.38Å; R163-F220 HydrophobicContact CG-CE2 4.37Å; R163-F220 HydrophobicContact CG-CZ 3.64Å; N218-F220 PolarHBondContact O-N 2.83Å; N218-F220 VanDerWaalsContact O-N 3.13Å; N218-F220 WeakPolarHBondContact OD1-CB 3.48Å; N218-F220 PolarHBondContact OD1-N 3.17Å; F220-T222 PolarHBondContact O-N 3.04Å; F220-E223 VanDerWaalsContact O-CB 3.26Å; F220-E223 WeakPolarHBondContact O-CB 3.02Å; F220-E223 PolarHBondContact O-N 3.18Å
221K86.2Confident88.7Confident116 Ų11663 Ų6350%0.50429%0.292SS..G310 helixtrans-63.8-13.8176.8-68.4-172.3174-173.90113N218 L219N218-K221 HydrophobicContact CB-CD 4.28Å; N218-K221 HydrophobicContact CB-CG 4.2Å; N218-K221 WeakPolarHBondContact O-CB 3.49Å; N218-K221 PolarHBondContact O-N 2.75Å; L219-K221 PolarHBondContact O-N 3.18Å
222T84.4Confident89.1Confident1 Ų156.3 Ų56.31%0.00627%0.269CS..G310 helixtrans-98.6-0.1177.965.70000114.6H87 L92 L219 F220 Q224 F225 W226 W229H87-T222 HydrophobicContact CB-CG2 3.47Å; H87-T222 VanDerWaalsContact CB-CG2 3.47Å; L92-T222 HydrophobicContact CD1-CG2 3.43Å; L92-T222 VanDerWaalsContact CD1-CG2 3.43Å; L219-T222 WeakPolarHBondContact O-CB 3.19Å; L219-T222 PolarHBondContact O-N 3.11Å; L219-T222 PolarHBondContact O-OG1 2.91Å; F220-T222 PolarHBondContact O-N 3.04Å; T222-Q224 PolarHBondContact O-N 3.2Å; T222-Q224 VanDerWaalsContact O-N 3.15Å; T222-F225 WeakPolarHBondContact O-CB 3.12Å; T222-F225 PolarHBondContact O-N 3Å; T222-W226 PolarHBondContact O-NE1 3.42Å; T222-W226 PolarHBondContact OG1-NE1 3.28Å; T222-W229 HydrophobicContact CG2-CH2 4.45Å
223E87.2Confident89.2Confident73 Ų7351.8 Ų51.834%0.34125%0.253SS..Hα-helixtrans-51.8-43.1-173.6-173.9-170.5136.700113K159 F220 F225 W226K159-E223 WeakPolarHBondContact CE-OE1 3.3Å; K159-E223 VanDerWaalsContact CE-OE2 3.3Å; K159-E223 WeakPolarHBondContact CE-OE2 3.48Å; K159-E223 VanDerWaalsContact NZ-CD 3.27Å; K159-E223 IonicContact NZ-OE1 3.1Å; K159-E223 PolarHBondContact NZ-OE1 3.36Å; K159-E223 IonicContact NZ-OE2 2.71Å; F220-E223 VanDerWaalsContact O-CB 3.26Å; F220-E223 WeakPolarHBondContact O-CB 3.02Å; F220-E223 PolarHBondContact O-N 3.18Å; E223-F225 PolarHBondContact O-N 3.06Å; E223-W226 HydrophobicContact CB-CD2 4.41Å; E223-W226 HydrophobicContact CB-CE3 4.47Å; E223-W226 HydrophobicContact CB-CH2 4.35Å; E223-W226 HydrophobicContact CB-CZ2 4.28Å; E223-W226 HydrophobicContact CB-CZ3 4.46Å; E223-W226 HydrophobicContact CG-CD2 4.39Å; E223-W226 HydrophobicContact CG-CE3 4.02Å; E223-W226 HydrophobicContact CG-CH2 4.33Å; E223-W226 HydrophobicContact CG-CZ3 4Å; E223-W226 PolarHBondContact O-N 3.19Å
224Q87Confident89.2Confident132 Ų13249.1 Ų49.162%0.61724%0.242SC*.Hα-helixtrans-58.1-18.817866.7-174.7-10.700114.5T222T222-Q224 PolarHBondContact O-N 3.2Å; T222-Q224 VanDerWaalsContact O-N 3.15Å
225F86Confident89.2Confident42 Ų4252.3 Ų52.318%0.18426%0.256CS..Hα-helixtrans-98.9-15-179.6-54.3-62.8000113.2L92 T222 E223 E227 G228 W229L92-F225 HydrophobicContact CB-CD2 3.98Å; L92-F225 HydrophobicContact CB-CE2 4.18Å; T222-F225 WeakPolarHBondContact O-CB 3.12Å; T222-F225 PolarHBondContact O-N 3Å; E223-F225 PolarHBondContact O-N 3.06Å; F225-E227 PolarHBondContact O-N 2.97Å; F225-G228 CarbonylContact O-C 2.95Å; F225-G228 WeakPolarHBondContact O-CA 3.47Å; F225-G228 PolarHBondContact O-N 2.93Å; F225-G228 VanDerWaalsContact O-N 3.08Å; F225-W229 HydrophobicContact CB-CZ2 3.99Å; F225-W229 PolarHBondContact O-N 2.84Å
226W88.1Confident89.3Confident4 Ų453 Ų532%0.01526%0.26CS..Hα-helixtrans-61.7-46.5-169.1-65.6-6.3000113L155 M158 K159 L162 L219 T222 E223 G228 W229 F230L155-W226 HydrophobicContact CD1-CB 4.23Å; L155-W226 HydrophobicContact CD2-CB 3.69Å; L155-W226 HydrophobicContact CD2-CD2 4.45Å; L155-W226 HydrophobicContact CD2-CE3 4.08Å; L155-W226 HydrophobicContact CD2-CG 4.36Å; M158-W226 HydrophobicContact CB-CZ3 4.13Å; M158-W226 HydrophobicContact CG-CH2 4.02Å; M158-W226 HydrophobicContact CG-CZ3 4.04Å; M158-W226 HydrophobicContact SD-CD2 4.28Å; M158-W226 HydrophobicContact SD-CE3 4.15Å; M158-W226 HydrophobicContact SD-CH2 4Å; M158-W226 HydrophobicContact SD-CZ2 4.11Å; M158-W226 HydrophobicContact SD-CZ3 4Å; K159-W226 HydrophobicContact CG-CZ3 4.19Å; L162-W226 HydrophobicContact CD1-CH2 3.67Å; L162-W226 HydrophobicContact CD1-CZ2 3.92Å; L219-W226 HydrophobicContact CG-CZ2 4.11Å; L219-W226 WeakPolarHBondContact O-CZ2 3.32Å; T222-W226 PolarHBondContact O-NE1 3.42Å; T222-W226 PolarHBondContact OG1-NE1 3.28Å; E223-W226 HydrophobicContact CB-CD2 4.41Å; E223-W226 HydrophobicContact CB-CE3 4.47Å; E223-W226 HydrophobicContact CB-CH2 4.35Å; E223-W226 HydrophobicContact CB-CZ2 4.28Å; E223-W226 HydrophobicContact CB-CZ3 4.46Å; E223-W226 HydrophobicContact CG-CD2 4.39Å; E223-W226 HydrophobicContact CG-CE3 4.02Å; E223-W226 HydrophobicContact CG-CH2 4.33Å; E223-W226 HydrophobicContact CG-CZ3 4Å; E223-W226 PolarHBondContact O-N 3.19Å; W226-G228 PolarHBondContact O-N 3.34Å; W226-W229 HydrophobicContact CB-CE3 4.49Å; W226-W229 AromaticContact CD1-CE3 3.65Å; W226-W229 AromaticContact CD1-CH2 3.46Å; W226-W229 VanDerWaalsContact CD1-CH2 3.46Å; W226-W229 AromaticContact CD1-CZ3 3.19Å; W226-W229 HydrophobicContact CG-CE3 4.33Å; W226-W229 HydrophobicContact CG-CZ3 4.16Å; W226-W229 AromaticContact NE1-CH2 3.68Å; W226-W229 AromaticContact NE1-CZ3 3.6Å; W226-W229 WeakPolarHBondContact O-CB 3.21Å; W226-W229 PolarHBondContact O-N 3.28Å; W226-F230 HydrophobicContact CB-CE2 4.46Å; W226-F230 WeakPolarHBondContact O-CD2 3.45Å; W226-F230 WeakPolarHBondContact O-CE2 3.42Å; W226-F230 PolarHBondContact O-N 2.81Å
227E90Very high89.6Confident100 Ų10048.7 Ų48.747%0.46724%0.244SC..Hα-helixtrans-58.4-43.4176.3-171-171.6152.400110.5L155 F225 W229 F230 K231L155-E227 HydrophobicContact CD1-CB 4.3Å; F225-E227 PolarHBondContact O-N 2.97Å; E227-W229 PolarHBondContact O-N 3.13Å; E227-F230 PolarHBondContact O-N 2.79Å; E227-F230 VanDerWaalsContact O-N 3.16Å; E227-K231 HydrophobicContact CG-CD 4.46Å; E227-K231 VanDerWaalsContact O-CB 3.24Å; E227-K231 WeakPolarHBondContact O-CB 3.41Å; E227-K231 PolarHBondContact O-N 2.89Å; E227-K231 IonicContact OE1-NZ 2.84Å; E227-K231 PolarHBondContact OE1-NZ 2.9Å
228G87.9Confident90.1Very high48 Ų4849.4 Ų49.450%0.49525%0.247SC..Hα-helixtrans-64.5-21.2178.400000114.4F225 W226F225-G228 CarbonylContact O-C 2.95Å; F225-G228 WeakPolarHBondContact O-CA 3.47Å; F225-G228 PolarHBondContact O-N 2.93Å; F225-G228 VanDerWaalsContact O-N 3.08Å; W226-G228 PolarHBondContact O-N 3.34Å
229W87.3Confident90.5Very high10 Ų1049 Ų494%0.03825%0.25CS..Hα-helixtrans-72.5-39.7174.2-62-15.2000112L92 L94 M121 A124 T222 F225 W226 E227L92-W229 PolarHBondContact O-NE1 2.89Å; L94-W229 HydrophobicContact CD2-CG 4.26Å; M121-W229 HydrophobicContact CB-CE3 4.32Å; M121-W229 HydrophobicContact CB-CZ3 4.28Å; M121-W229 HydrophobicContact CG-CD2 4.12Å; M121-W229 HydrophobicContact CG-CE3 3.82Å; M121-W229 HydrophobicContact CG-CH2 4.09Å; M121-W229 HydrophobicContact CG-CZ2 4.38Å; M121-W229 HydrophobicContact CG-CZ3 3.8Å; M121-W229 HydrophobicContact SD-CE3 4.48Å; M121-W229 HydrophobicContact SD-CH2 3.66Å; M121-W229 HydrophobicContact SD-CZ2 4.01Å; M121-W229 HydrophobicContact SD-CZ3 3.91Å; A124-W229 HydrophobicContact CB-CB 4.19Å; A124-W229 WeakPolarHBondContact CB-O 3.49Å; T222-W229 HydrophobicContact CG2-CH2 4.45Å; F225-W229 HydrophobicContact CB-CZ2 3.99Å; F225-W229 PolarHBondContact O-N 2.84Å; W226-W229 HydrophobicContact CB-CE3 4.49Å; W226-W229 AromaticContact CD1-CE3 3.65Å; W226-W229 AromaticContact CD1-CH2 3.46Å; W226-W229 VanDerWaalsContact CD1-CH2 3.46Å; W226-W229 AromaticContact CD1-CZ3 3.19Å; W226-W229 HydrophobicContact CG-CE3 4.33Å; W226-W229 HydrophobicContact CG-CZ3 4.16Å; W226-W229 AromaticContact NE1-CH2 3.68Å; W226-W229 AromaticContact NE1-CZ3 3.6Å; W226-W229 WeakPolarHBondContact O-CB 3.21Å; W226-W229 PolarHBondContact O-N 3.28Å; E227-W229 PolarHBondContact O-N 3.13Å
230F90.8Very high90.8Very high8 Ų848.5 Ų48.54%0.03525%0.248CC..Hα-helixtrans-102.7-22-169.4-50.9-59.2000113.5A124 V146 E148 A151 I152 L155 W226 E227 G232 M233A124-F230 HydrophobicContact CB-CD1 4.45Å; A124-F230 HydrophobicContact CB-CE1 4.4Å; V146-F230 HydrophobicContact CG2-CD1 3.74Å; V146-F230 HydrophobicContact CG2-CE1 3.68Å; E148-F230 VanDerWaalsContact CG-O 3.26Å; E148-F230 WeakPolarHBondContact CG-O 3Å; A151-F230 HydrophobicContact CB-CB 4.02Å; A151-F230 HydrophobicContact CB-CD1 3.86Å; A151-F230 HydrophobicContact CB-CD2 4.02Å; A151-F230 HydrophobicContact CB-CE1 4.37Å; A151-F230 HydrophobicContact CB-CG 3.67Å; I152-F230 HydrophobicContact CG1-CB 4.12Å; L155-F230 HydrophobicContact CD2-CD2 3.92Å; L155-F230 HydrophobicContact CD2-CE2 3.73Å; W226-F230 HydrophobicContact CB-CE2 4.46Å; W226-F230 WeakPolarHBondContact O-CD2 3.45Å; W226-F230 WeakPolarHBondContact O-CE2 3.42Å; W226-F230 PolarHBondContact O-N 2.81Å; E227-F230 PolarHBondContact O-N 2.79Å; E227-F230 VanDerWaalsContact O-N 3.16Å; F230-G232 PolarHBondContact O-N 2.78Å; F230-M233 HydrophobicContact CB-SD 4.37Å; F230-M233 HydrophobicContact CD1-CE 3.97Å; F230-M233 HydrophobicContact CD1-SD 3.98Å; F230-M233 WeakPolarHBondContact O-CB 3.5Å; F230-M233 PolarHBondContact O-N 3.1Å
231K92.6Very high91Very high116 Ų11650.3 Ų50.350%0.50427%0.266SS..THydrogen-bonded Turntrans-63.5125.2-179.1-167.2171.7-164.1158.20112.3E227 M233 K236E227-K231 HydrophobicContact CG-CD 4.46Å; E227-K231 VanDerWaalsContact O-CB 3.24Å; E227-K231 WeakPolarHBondContact O-CB 3.41Å; E227-K231 PolarHBondContact O-N 2.89Å; E227-K231 IonicContact OE1-NZ 2.84Å; E227-K231 PolarHBondContact OE1-NZ 2.9Å; K231-M233 PolarHBondContact O-N 3.24Å; K231-K236 PolarHBondContact O-NZ 3.13Å
232G93.3Very high91.5Very high23 Ų2345.6 Ų45.624%0.23725%0.247CC..THydrogen-bonded Turntrans65.713.2-173.700000114.4E148 F230 S234 K236E148-G232 WeakPolarHBondContact OE1-CA 3.46Å; E148-G232 PolarHBondContact OE1-N 3.36Å; E148-G232 WeakPolarHBondContact OE2-CA 3.43Å; E148-G232 PolarHBondContact OE2-N 3.41Å; E148-G232 VanDerWaalsContact OE2-N 3.16Å; F230-G232 PolarHBondContact O-N 2.78Å; G232-S234 VanDerWaalsContact C-N 3.26Å; G232-S234 PolarHBondContact O-N 2.88Å; G232-K236 WeakPolarHBondContact O-CD 3.49Å; G232-K236 WeakPolarHBondContact O-CG 3.47Å; G232-K236 PolarHBondContact O-N 3.45Å; G232-K236 VanDerWaalsContact O-N 3.11Å
233M93.4Very high92.2Very high6 Ų647.4 Ų47.43%0.0326%0.259CS..Hα-helixtrans-65.1-32.1-175.5104.5-164.4-62.100112.2A124 I127 V146 E148 F230 K231 K236 F237A124-M233 HydrophobicContact CB-CE 3.62Å; I127-M233 HydrophobicContact CD1-CB 4.31Å; I127-M233 HydrophobicContact CD1-CE 3.73Å; I127-M233 HydrophobicContact CD1-CG 4.08Å; V146-M233 HydrophobicContact CB-CE 4.36Å; V146-M233 HydrophobicContact CG1-CE 3.8Å; V146-M233 HydrophobicContact CG1-SD 4.47Å; V146-M233 HydrophobicContact CG2-CE 3.66Å; V146-M233 HydrophobicContact CG2-SD 3.71Å; E148-M233 HydrophobicContact CB-CG 4.08Å; E148-M233 HydrophobicContact CB-SD 4.46Å; E148-M233 PolarHBondContact OE2-N 2.86Å; F230-M233 HydrophobicContact CB-SD 4.37Å; F230-M233 HydrophobicContact CD1-CE 3.97Å; F230-M233 HydrophobicContact CD1-SD 3.98Å; F230-M233 WeakPolarHBondContact O-CB 3.5Å; F230-M233 PolarHBondContact O-N 3.1Å; K231-M233 PolarHBondContact O-N 3.24Å; M233-K236 PolarHBondContact O-N 2.7Å; M233-F237 VanDerWaalsContact O-CB 3.28Å; M233-F237 WeakPolarHBondContact O-CB 3.07Å; M233-F237 PolarHBondContact O-N 3.17Å
234S94.8Very high92.7Very high1 Ų145 Ų451%0.00725%0.247CC..Hα-helixtrans-65-47.1-177.9-68.30000110.5E148 G232 K236 F237 L238 D255E148-S234 WeakPolarHBondContact CB-OG 3.32Å; E148-S234 PolarHBondContact OE2-N 2.85Å; G232-S234 VanDerWaalsContact C-N 3.26Å; G232-S234 PolarHBondContact O-N 2.88Å; S234-K236 PolarHBondContact O-N 3.46Å; S234-F237 PolarHBondContact O-N 2.91Å; S234-L238 VanDerWaalsContact O-CG 3.28Å; S234-L238 WeakPolarHBondContact O-CG 3.4Å; S234-L238 PolarHBondContact O-N 2.85Å; S234-D255 PolarHBondContact OG-OD2 2.67Å
235E95.1Very high93.2Very high113 Ų11338.7 Ų38.753%0.52822%0.218SC..Hα-helixtrans-65-40.9174.7-68.2-61.8163.900112.4F237 L238 S239 T257E235-F237 VanDerWaalsContact C-N 3.35Å; E235-F237 PolarHBondContact O-N 3.08Å; E235-L238 PolarHBondContact O-N 3.32Å; E235-S239 WeakPolarHBondContact O-CB 3.47Å; E235-S239 PolarHBondContact O-N 3.21Å; E235-T257 HydrophobicContact CG-CG2 4.43Å; E235-T257 VanDerWaalsContact OE1-CG2 3.22Å; E235-T257 WeakPolarHBondContact OE1-CG2 3.28Å
236K94.8Very high93.8Very high57 Ų5736.8 Ų36.825%0.24821%0.21CC..Hα-helixtrans-63.2-41.8177.6-66.8169.2-174.1161.20111.5I127 R131 K231 G232 M233 S234 S239 S240I127-K236 HydrophobicContact CG2-CB 3.44Å; I127-K236 VanDerWaalsContact CG2-CB 3.44Å; R131-K236 HydrophobicContact CG-CG 4.48Å; K231-K236 PolarHBondContact O-NZ 3.13Å; G232-K236 WeakPolarHBondContact O-CD 3.49Å; G232-K236 WeakPolarHBondContact O-CG 3.47Å; G232-K236 PolarHBondContact O-N 3.45Å; G232-K236 VanDerWaalsContact O-N 3.11Å; M233-K236 PolarHBondContact O-N 2.7Å; S234-K236 PolarHBondContact O-N 3.46Å; K236-S239 PolarHBondContact O-N 2.74Å; K236-S239 PolarHBondContact O-OG 2.93Å; K236-S240 PolarHBondContact O-N 3.4Å
237F96.7Very high94.2Very high4 Ų436.6 Ų36.62%0.01821%0.209CC..Hα-helixtrans-58.8-50.7174171.1-105.6000110.3I127 L141 V143 M233 S234 E235 S239 S240 K244 L246 L258 F267I127-F237 HydrophobicContact CD1-CB 3.91Å; I127-F237 HydrophobicContact CD1-CD2 4.32Å; I127-F237 HydrophobicContact CG1-CB 4.04Å; I127-F237 HydrophobicContact CG1-CD2 4.12Å; I127-F237 HydrophobicContact CG2-CB 4.4Å; L141-F237 HydrophobicContact CD2-CD2 3.74Å; L141-F237 HydrophobicContact CD2-CE2 4.15Å; L141-F237 HydrophobicContact CG-CD2 4.33Å; L141-F237 HydrophobicContact CG-CE2 4.31Å; V143-F237 HydrophobicContact CB-CE2 4.32Å; V143-F237 HydrophobicContact CG2-CD2 3.81Å; V143-F237 HydrophobicContact CG2-CE2 3.79Å; M233-F237 VanDerWaalsContact O-CB 3.28Å; M233-F237 WeakPolarHBondContact O-CB 3.07Å; M233-F237 PolarHBondContact O-N 3.17Å; S234-F237 PolarHBondContact O-N 2.91Å; E235-F237 VanDerWaalsContact C-N 3.35Å; E235-F237 PolarHBondContact O-N 3.08Å; F237-S239 VanDerWaalsContact C-N 3.28Å; F237-S239 PolarHBondContact O-N 2.88Å; F237-S240 VanDerWaalsContact O-CB 3.31Å; F237-S240 WeakPolarHBondContact O-CB 3.36Å; F237-S240 PolarHBondContact O-N 2.56Å; F237-S240 VanDerWaalsContact O-N 3.15Å; F237-K244 HydrophobicContact CD1-CD 4.36Å; F237-K244 HydrophobicContact CD2-CD 4.27Å; F237-K244 HydrophobicContact CD2-CG 4.46Å; F237-K244 HydrophobicContact CE1-CB 4.36Å; F237-K244 HydrophobicContact CE1-CD 4.16Å; F237-K244 HydrophobicContact CE2-CB 3.92Å; F237-K244 HydrophobicContact CE2-CD 4.06Å; F237-K244 HydrophobicContact CE2-CG 3.9Å; F237-K244 HydrophobicContact CG-CD 4.43Å; F237-K244 HydrophobicContact CZ-CB 3.63Å; F237-K244 HydrophobicContact CZ-CD 4.02Å; F237-K244 HydrophobicContact CZ-CG 4.01Å; F237-K244 WeakPolarHBondContact O-CD 3.41Å; F237-L246 HydrophobicContact CZ-CB 4.33Å; F237-L258 HydrophobicContact CD1-CD2 3.93Å; F237-L258 HydrophobicContact CE1-CD2 4.41Å; F237-F267 HydrophobicContact CE1-CB 4.03Å; F237-F267 HydrophobicContact CE1-CD1 4Å; F237-F267 AromaticContact CE1-CD2 3.91Å; F237-F267 HydrophobicContact CE1-CD2 3.91Å; F237-F267 HydrophobicContact CE1-CE1 4.45Å; F237-F267 HydrophobicContact CE1-CE2 4.38Å; F237-F267 AromaticContact CE1-CG 3.72Å; F237-F267 HydrophobicContact CE1-CG 3.72Å; F237-F267 HydrophobicContact CZ-CB 4.12Å; F237-F267 HydrophobicContact CZ-CD2 4.16Å; F237-F267 HydrophobicContact CZ-CG 4.16Å
238L96.3Very high94.4Very high29 Ų2931.9 Ų31.915%0.15219%0.187CC..Hα-helixtrans-63-32179.5-66.6176.8000113.5S234 E235 S240 T257 L258 A261 K266 F267S234-L238 VanDerWaalsContact O-CG 3.28Å; S234-L238 WeakPolarHBondContact O-CG 3.4Å; S234-L238 PolarHBondContact O-N 2.85Å; E235-L238 PolarHBondContact O-N 3.32Å; L238-S240 PolarHBondContact O-N 3.49Å; L238-T257 HydrophobicContact CD1-CG2 3.72Å; L238-L258 HydrophobicContact CD1-CD2 4.22Å; L238-L258 HydrophobicContact CD2-CD2 4.12Å; L238-L258 HydrophobicContact CG-CD2 4.03Å; L238-A261 HydrophobicContact CD1-CB 3.53Å; L238-A261 HydrophobicContact CD2-CB 3.42Å; L238-A261 VanDerWaalsContact CD2-CB 3.42Å; L238-A261 HydrophobicContact CG-CB 4.12Å; L238-K266 HydrophobicContact CD2-CB 4.34Å; L238-F267 HydrophobicContact CD2-CD1 3.8Å; L238-F267 HydrophobicContact CD2-CE1 4.04Å
239S95.2Very high94.6Very high69 Ų6930.2 Ų30.248%0.48317%0.168SC..THydrogen-bonded Turntrans-70.7-12.5178780000114.4E235 K236 F237E235-S239 WeakPolarHBondContact O-CB 3.47Å; E235-S239 PolarHBondContact O-N 3.21Å; K236-S239 PolarHBondContact O-N 2.74Å; K236-S239 PolarHBondContact O-OG 2.93Å; F237-S239 VanDerWaalsContact C-N 3.28Å; F237-S239 PolarHBondContact O-N 2.88Å
240S94Very high94.4Very high3 Ų333.3 Ų33.32%0.02119%0.185CC..  trans-67.4127.4179.7-175.30000110.6K236 F237 L238 V242 K244K236-S240 PolarHBondContact O-N 3.4Å; F237-S240 VanDerWaalsContact O-CB 3.31Å; F237-S240 WeakPolarHBondContact O-CB 3.36Å; F237-S240 PolarHBondContact O-N 2.56Å; F237-S240 VanDerWaalsContact O-N 3.15Å; L238-S240 PolarHBondContact O-N 3.49Å; S240-V242 PolarHBondContact O-N 3.05Å; S240-V242 WeakPolarHBondContact OG-CG2 3.25Å; S240-K244 PolarHBondContact O-NZ 2.84Å
241P90.7Very high93.4Very high101 Ų10136.7 Ų36.766%0.65621%0.207SC*.SBendtrans-76.7-6.8-172.732.1-36.5000113.8
242V96.5Very high92.5Very high17 Ų1737.6 Ų37.610%0.10322%0.217CC..SBendtrans-92.9163.7-177.5-620000112.1L138 L141 S240 K244L138-V242 HydrophobicContact CD2-CG1 4.43Å; L138-V242 HydrophobicContact CD2-CG2 4.19Å; L138-V242 HydrophobicContact CG-CG1 4.1Å; L138-V242 HydrophobicContact CG-CG2 4.19Å; L138-V242 VanDerWaalsContact O-CG1 3.3Å; L138-V242 WeakPolarHBondContact O-CG1 3.26Å; L141-V242 HydrophobicContact CB-CG2 4.05Å; S240-V242 PolarHBondContact O-N 3.05Å; S240-V242 WeakPolarHBondContact OG-CG2 3.25Å; V242-K244 WeakPolarHBondContact O-CG 3.34Å; V242-K244 PolarHBondContact O-NZ 3.37Å
243P97.9Very high91.6Very high39 Ų3939.8 Ų39.825%0.25322%0.218SC..  trans-50.4139.9165.2-29.337.1000112.2A139 G140 L141 F294 F298A139-P243 WeakPolarHBondContact O-CD 3.37Å; G140-P243 WeakPolarHBondContact CA-O 3.44Å; L141-P243 PolarHBondContact N-O 3.04Å; P243-F294 HydrophobicContact CB-CE2 3.93Å; P243-F294 HydrophobicContact CB-CZ 3.72Å; P243-F298 HydrophobicContact CB-CB 4.47Å; P243-F298 HydrophobicContact CB-CD1 3.7Å; P243-F298 HydrophobicContact CB-CD2 3.8Å; P243-F298 HydrophobicContact CB-CE1 3.78Å; P243-F298 HydrophobicContact CB-CE2 3.9Å; P243-F298 HydrophobicContact CB-CG 3.71Å; P243-F298 HydrophobicContact CB-CZ 3.88Å; P243-F298 HydrophobicContact CG-CB 4.27Å; P243-F298 HydrophobicContact CG-CD1 3.46Å; P243-F298 VanDerWaalsContact CG-CD1 3.46Å; P243-F298 HydrophobicContact CG-CD2 4.38Å; P243-F298 HydrophobicContact CG-CE1 3.83Å; P243-F298 HydrophobicContact CG-CG 3.78Å; P243-F298 HydrophobicContact CG-CZ 4.44Å
244K98.2Very high91Very high23 Ų2341.2 Ų41.210%0.123%0.226CC..EExtended strand (participates in β ladder)trans-129135.9-171.6-76.8169.4-63.9-680110.8L141 F237 S240 V242 K266 F267 Q268L141-K244 HydrophobicContact CB-CG 4.36Å; L141-K244 VanDerWaalsContact O-CA 3.32Å; L141-K244 WeakPolarHBondContact O-CA 3.34Å; F237-K244 HydrophobicContact CD1-CD 4.36Å; F237-K244 HydrophobicContact CD2-CD 4.27Å; F237-K244 HydrophobicContact CD2-CG 4.46Å; F237-K244 HydrophobicContact CE1-CB 4.36Å; F237-K244 HydrophobicContact CE1-CD 4.16Å; F237-K244 HydrophobicContact CE2-CB 3.92Å; F237-K244 HydrophobicContact CE2-CD 4.06Å; F237-K244 HydrophobicContact CE2-CG 3.9Å; F237-K244 HydrophobicContact CG-CD 4.43Å; F237-K244 HydrophobicContact CZ-CB 3.63Å; F237-K244 HydrophobicContact CZ-CD 4.02Å; F237-K244 HydrophobicContact CZ-CG 4.01Å; F237-K244 WeakPolarHBondContact O-CD 3.41Å; S240-K244 PolarHBondContact O-NZ 2.84Å; V242-K244 WeakPolarHBondContact O-CG 3.34Å; V242-K244 PolarHBondContact O-NZ 3.37Å; K244-K266 VanDerWaalsContact CE-O 3.26Å; K244-K266 WeakPolarHBondContact CE-O 3.34Å; K244-F267 HydrophobicContact CB-CB 3.59Å; K244-Q268 PolarHBondContact O-N 3.42Å
245L98.3Very high90.6Very high0 Ų042.2 Ų42.20%023%0.231CC..EExtended strand (participates in β ladder)trans-126.8130.3173173.963.8000109.5L141 V142 V143 I247 Q268 T290 I291 F294L141-L245 PolarHBondContact O-N 2.8Å; V142-L245 CarbonylContact C-O 3.57Å; V142-L245 WeakPolarHBondContact CA-O 3.37Å; V142-L245 HydrophobicContact CG1-CB 4.25Å; V142-L245 HydrophobicContact CG1-CD2 3.91Å; V142-L245 HydrophobicContact CG1-CG 4.11Å; V142-L245 HydrophobicContact CG2-CB 4.16Å; V142-L245 HydrophobicContact CG2-CD2 4.24Å; V143-L245 PolarHBondContact N-O 2.92Å; L245-I247 HydrophobicContact CD1-CG1 4.36Å; L245-I247 HydrophobicContact CD2-CD1 4.11Å; L245-I247 HydrophobicContact CD2-CG1 4.18Å; L245-I247 HydrophobicContact CG-CG1 4.05Å; L245-Q268 CarbonylContact C-O 3.59Å; L245-Q268 WeakPolarHBondContact CA-O 3.37Å; L245-Q268 HydrophobicContact CD1-CB 3.91Å; L245-Q268 HydrophobicContact CD1-CG 3.75Å; L245-T290 HydrophobicContact CD1-CG2 4.29Å; L245-T290 HydrophobicContact CD2-CG2 4.04Å; L245-I291 HydrophobicContact CD2-CG1 4.06Å; L245-F294 HydrophobicContact CB-CD2 3.82Å; L245-F294 HydrophobicContact CB-CE2 3.89Å; L245-F294 HydrophobicContact CB-CG 4.24Å; L245-F294 HydrophobicContact CB-CZ 4.37Å; L245-F294 HydrophobicContact CD2-CB 3.97Å; L245-F294 HydrophobicContact CD2-CD2 4.37Å; L245-F294 HydrophobicContact CD2-CG 4.08Å
246L97.4Very high90.3Very high2 Ų241.5 Ų41.51%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-114.6119.8172-177.365.5000109V143 V147 F237 L248 L254 L258 F267 Q268 V269 T270V143-L246 HydrophobicContact CB-CD1 3.97Å; V143-L246 HydrophobicContact CG1-CD1 3.91Å; V143-L246 WeakPolarHBondContact O-CA 3.45Å; V147-L246 HydrophobicContact CG2-CD2 4.22Å; F237-L246 HydrophobicContact CZ-CB 4.33Å; L246-L248 HydrophobicContact CD1-CD2 3.96Å; L246-L248 HydrophobicContact CD2-CD1 4.05Å; L246-L248 HydrophobicContact CD2-CD2 4.08Å; L246-L248 HydrophobicContact CD2-CG 4.15Å; L246-L248 HydrophobicContact CG-CD1 4.4Å; L246-L248 HydrophobicContact CG-CD2 3.87Å; L246-L248 HydrophobicContact CG-CG 3.96Å; L246-L254 HydrophobicContact CD2-CD2 3.81Å; L246-L258 HydrophobicContact CD2-CD1 3.92Å; L246-F267 HydrophobicContact CB-CD2 3.83Å; L246-F267 HydrophobicContact CB-CE2 3.75Å; L246-F267 HydrophobicContact CD2-CE2 3.7Å; L246-F267 HydrophobicContact CD2-CZ 4.28Å; L246-F267 HydrophobicContact CG-CE2 4.39Å; L246-Q268 PolarHBondContact N-O 2.86Å; L246-V269 HydrophobicContact CB-CG2 4.35Å; L246-V269 HydrophobicContact CD2-CG2 4.4Å; L246-V269 HydrophobicContact CG-CG2 4.49Å; L246-V269 CarbonylContact O-C 3.53Å; L246-V269 VanDerWaalsContact O-CA 3.29Å; L246-V269 WeakPolarHBondContact O-CA 2.89Å; L246-T270 PolarHBondContact O-N 2.8Å
247I97Very high90.1Very high0 Ų041 Ų410%024%0.236CC..EExtended strand (participates in β ladder)trans-106.4123.4175-58.9174.2000107.9V142 V143 I144 D145 L245 T270 M272 V279 V287 T290 I291V142-I247 HydrophobicContact CG1-CD1 4.26Å; V143-I247 PolarHBondContact O-N 2.81Å; I144-I247 WeakPolarHBondContact CA-O 3.43Å; I144-I247 HydrophobicContact CD1-CD1 4.35Å; I144-I247 HydrophobicContact CG1-CB 4.34Å; I144-I247 HydrophobicContact CG1-CD1 4.35Å; I144-I247 HydrophobicContact CG2-CB 4.41Å; I144-I247 HydrophobicContact CG2-CG2 4.49Å; D145-I247 PolarHBondContact N-O 3.4Å; L245-I247 HydrophobicContact CD1-CG1 4.36Å; L245-I247 HydrophobicContact CD2-CD1 4.11Å; L245-I247 HydrophobicContact CD2-CG1 4.18Å; L245-I247 HydrophobicContact CG-CG1 4.05Å; I247-T270 WeakPolarHBondContact CA-O 3.33Å; I247-M272 HydrophobicContact CG2-CB 4.37Å; I247-M272 HydrophobicContact CG2-CG 3.54Å; I247-V279 HydrophobicContact CG2-CG1 4.07Å; I247-V287 HydrophobicContact CD1-CG1 4.19Å; I247-T290 HydrophobicContact CD1-CG2 4.25Å; I247-T290 HydrophobicContact CG1-CG2 4.43Å; I247-I291 HydrophobicContact CD1-CD1 4.34Å; I247-I291 HydrophobicContact CD1-CG1 4.13Å
248L94.6Very high90Very high1 Ų141 Ų411%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-119.4143-178.3-61177.1000110.8V147 L246 D250 R253 L254 V269 T270 L271 M272V147-L248 HydrophobicContact CG2-CD2 3.75Å; L246-L248 HydrophobicContact CD1-CD2 3.96Å; L246-L248 HydrophobicContact CD2-CD1 4.05Å; L246-L248 HydrophobicContact CD2-CD2 4.08Å; L246-L248 HydrophobicContact CD2-CG 4.15Å; L246-L248 HydrophobicContact CG-CD1 4.4Å; L246-L248 HydrophobicContact CG-CD2 3.87Å; L246-L248 HydrophobicContact CG-CG 3.96Å; L248-D250 VanDerWaalsContact C-N 3.31Å; L248-R253 HydrophobicContact CD2-CB 4.47Å; L248-L254 HydrophobicContact CD1-CD1 4.39Å; L248-L254 HydrophobicContact CD1-CD2 3.68Å; L248-L254 HydrophobicContact CD1-CG 3.64Å; L248-V269 HydrophobicContact CD1-CG2 4.22Å; L248-T270 PolarHBondContact N-O 3.04Å; L248-L271 HydrophobicContact CB-CD1 4.38Å; L248-L271 WeakPolarHBondContact O-CA 3.34Å; L248-M272 PolarHBondContact O-N 2.68Å
249A91.2Very high89.8Confident12 Ų1242.7 Ų42.710%0.09925%0.247CC..SBendtrans-72.4-30.6168.300000111.7D145 V279D145-A249 PolarHBondContact OD1-N 3.46Å; D145-A249 VanDerWaalsContact OD1-N 3.14Å; A249-V279 HydrophobicContact CB-CG2 3.85Å
250D82.9Confident89.7Confident75 Ų7547.5 Ų47.540%0.40126%0.255SS..  trans-144.7138.8-172.8-165.9-20.4000111.2L248 D252 R253L248-D250 VanDerWaalsContact C-N 3.31Å; D250-D252 VanDerWaalsContact C-N 3.28Å; D250-D252 PolarHBondContact O-N 3.38Å; D250-D252 PolarHBondContact OD1-N 3.31Å; D250-D252 VanDerWaalsContact OD1-N 3.08Å; D250-R253 HydrophobicContact CB-CG 4.2Å; D250-R253 WeakPolarHBondContact O-CB 3.4Å; D250-R253 PolarHBondContact O-N 3.37Å
251V70.5Confident89.7Confident80 Ų8047.5 Ų47.549%0.48526%0.255SS..G310 helixtrans-68-31.3179.5-174.30000111R253 L254 L271V251-R253 PolarHBondContact O-N 2.85Å; V251-L254 PolarHBondContact O-N 3.11Å; V251-L271 HydrophobicContact CG2-CD1 3.59Å; V251-L271 HydrophobicContact CG2-CD2 3.42Å; V251-L271 VanDerWaalsContact CG2-CD2 3.42Å; V251-L271 HydrophobicContact CG2-CG 4.06Å
252D74.1Confident89.8Confident135 Ų13545.1 Ų45.172%0.72224%0.235SC*.G310 helixtrans-64.2-4.9-179.2-71.2-14.1000112.9D250D250-D252 VanDerWaalsContact C-N 3.28Å; D250-D252 PolarHBondContact O-N 3.38Å; D250-D252 PolarHBondContact OD1-N 3.31Å; D250-D252 VanDerWaalsContact OD1-N 3.08Å
253R73.7Confident89.5Confident68 Ų6852 Ų5226%0.25727%0.269SS..G310 helixtrans-82-20.2176.1-64.4-178.6174.8-131.37.3113.9D145 V147 S150 L248 D250 V251 D255D145-R253 WeakPolarHBondContact OD1-CD 3.41Å; D145-R253 IonicContact OD1-CZ 2.89Å; D145-R253 IonicContact OD1-NE 2.85Å; D145-R253 PolarHBondContact OD1-NE 3Å; D145-R253 IonicContact OD1-NH1 3.33Å; D145-R253 PolarHBondContact OD1-NH1 3.48Å; D145-R253 VanDerWaalsContact OD1-NH1 3.1Å; D145-R253 IonicContact OD2-CZ 3.45Å; D145-R253 IonicContact OD2-NH1 3.21Å; D145-R253 PolarHBondContact OD2-NH1 2.98Å; D145-R253 IonicContact OD2-NH2 3.36Å; D145-R253 PolarHBondContact OD2-NH2 2.73Å; V147-R253 WeakPolarHBondContact CB-O 3.31Å; V147-R253 WeakPolarHBondContact CG1-O 3.38Å; S150-R253 PolarHBondContact OG-O 3.18Å; S150-R253 VanDerWaalsContact OG-O 3.06Å; L248-R253 HydrophobicContact CD2-CB 4.47Å; D250-R253 HydrophobicContact CB-CG 4.2Å; D250-R253 WeakPolarHBondContact O-CB 3.4Å; D250-R253 PolarHBondContact O-N 3.37Å; V251-R253 PolarHBondContact O-N 2.85Å; R253-D255 PolarHBondContact O-N 3.32Å
254L81.9Confident89.4Confident36 Ų3656.2 Ų56.219%0.18829%0.285CS..  trans-66131.2179.5-74.3173.6000111.1L246 L248 V251 L258L246-L254 HydrophobicContact CD2-CD2 3.81Å; L248-L254 HydrophobicContact CD1-CD1 4.39Å; L248-L254 HydrophobicContact CD1-CD2 3.68Å; L248-L254 HydrophobicContact CD1-CG 3.64Å; V251-L254 PolarHBondContact O-N 3.11Å; L254-L258 HydrophobicContact CD2-CB 3.82Å; L254-L258 HydrophobicContact CD2-CD1 4.36Å
255D85.7Confident89.2Confident22 Ų2258.2 Ų58.212%0.11831%0.311CS..  trans-88.5169.5170.866.931.9000111.2V147 G149 S234 R253 T257 L258 T259V147-D255 HydrophobicContact CG1-CB 3.96Å; V147-D255 WeakPolarHBondContact CG1-OD2 3.14Å; G149-D255 PolarHBondContact N-OD2 2.99Å; S234-D255 PolarHBondContact OG-OD2 2.67Å; R253-D255 PolarHBondContact O-N 3.32Å; D255-T257 PolarHBondContact O-N 3.26Å; D255-T257 WeakPolarHBondContact OD1-CA 3.32Å; D255-T257 WeakPolarHBondContact OD1-CB 3.19Å; D255-T257 PolarHBondContact OD1-N 3.48Å; D255-T257 VanDerWaalsContact OD1-N 3.07Å; D255-L258 PolarHBondContact O-N 3.18Å; D255-L258 PolarHBondContact OD1-N 3.28Å; D255-T259 WeakPolarHBondContact O-CB 3.25Å; D255-T259 PolarHBondContact O-N 3.29Å; D255-T259 PolarHBondContact O-OG1 3.1Å
256V88.6Confident89.1Confident99 Ų9963.5 Ų63.560%0.633%0.334SS*.Hα-helixtrans-57.2-36.2-178.3178.10000111.9R260V256-R260 VanDerWaalsContact O-CG 3.3Å; V256-R260 WeakPolarHBondContact O-CG 3.23Å; V256-R260 PolarHBondContact O-N 3.13Å
257T91.5Very high89.1Confident46 Ų4664 Ų6428%0.28234%0.336SS..Hα-helixtrans-66.2-52.3-179.5-65.30000111E235 L238 D255 R260 A261E235-T257 HydrophobicContact CG-CG2 4.43Å; E235-T257 VanDerWaalsContact OE1-CG2 3.22Å; E235-T257 WeakPolarHBondContact OE1-CG2 3.28Å; L238-T257 HydrophobicContact CD1-CG2 3.72Å; D255-T257 PolarHBondContact O-N 3.26Å; D255-T257 WeakPolarHBondContact OD1-CA 3.32Å; D255-T257 WeakPolarHBondContact OD1-CB 3.19Å; D255-T257 PolarHBondContact OD1-N 3.48Å; D255-T257 VanDerWaalsContact OD1-N 3.07Å; T257-R260 PolarHBondContact O-N 3.45Å; T257-A261 WeakPolarHBondContact O-CB 3.3Å; T257-A261 PolarHBondContact O-N 2.93Å
258L93.2Very high89Confident4 Ų466.1 Ų66.12%0.02135%0.347CS..Hα-helixtrans-69.1-35.6179.1-65.3-172.3000111.9V147 F237 L238 L246 L254 D255 R260 A261 Q262 F267V147-L258 HydrophobicContact CB-CD1 4.21Å; V147-L258 HydrophobicContact CG1-CD1 3.61Å; V147-L258 HydrophobicContact CG1-CG 4.44Å; V147-L258 HydrophobicContact CG2-CD1 3.83Å; F237-L258 HydrophobicContact CD1-CD2 3.93Å; F237-L258 HydrophobicContact CE1-CD2 4.41Å; L238-L258 HydrophobicContact CD1-CD2 4.22Å; L238-L258 HydrophobicContact CD2-CD2 4.12Å; L238-L258 HydrophobicContact CG-CD2 4.03Å; L246-L258 HydrophobicContact CD2-CD1 3.92Å; L254-L258 HydrophobicContact CD2-CB 3.82Å; L254-L258 HydrophobicContact CD2-CD1 4.36Å; D255-L258 PolarHBondContact O-N 3.18Å; D255-L258 PolarHBondContact OD1-N 3.28Å; L258-R260 PolarHBondContact O-N 3.03Å; L258-A261 PolarHBondContact O-N 3.35Å; L258-Q262 VanDerWaalsContact O-CB 3.25Å; L258-Q262 WeakPolarHBondContact O-CB 3.29Å; L258-Q262 PolarHBondContact O-N 2.8Å; L258-F267 HydrophobicContact CB-CE1 4.49Å; L258-F267 HydrophobicContact CB-CZ 4.1Å; L258-F267 HydrophobicContact CD2-CE1 4.28Å; L258-F267 HydrophobicContact CD2-CZ 4.39Å
259T92Very high89Confident64 Ų6468.4 Ų68.439%0.39336%0.361SS..Hα-helixtrans-58.6-48.9173.4-64.30000111D255 A261 Q262 M263D255-T259 WeakPolarHBondContact O-CB 3.25Å; D255-T259 PolarHBondContact O-N 3.29Å; D255-T259 PolarHBondContact O-OG1 3.1Å; T259-A261 PolarHBondContact O-N 2.68Å; T259-Q262 PolarHBondContact O-N 3.21Å; T259-M263 VanDerWaalsContact O-CG 3.31Å; T259-M263 WeakPolarHBondContact O-CG 3.44Å; T259-M263 PolarHBondContact O-N 2.7Å; T259-M263 VanDerWaalsContact O-N 3.1Å
260R93.3Very high89.2Confident171 Ų17169.3 Ų69.365%0.64537%0.365SS*.Hα-helixtrans-62.1-44177.2-73.5174.2179.9-171.20.7112.1V256 T257 L258 Q262 M263 Q264V256-R260 VanDerWaalsContact O-CG 3.3Å; V256-R260 WeakPolarHBondContact O-CG 3.23Å; V256-R260 PolarHBondContact O-N 3.13Å; T257-R260 PolarHBondContact O-N 3.45Å; L258-R260 PolarHBondContact O-N 3.03Å; R260-Q262 VanDerWaalsContact C-N 3.33Å; R260-Q262 PolarHBondContact O-N 3.46Å; R260-M263 PolarHBondContact O-N 3.3Å; R260-Q264 WeakPolarHBondContact O-CG 3.34Å; R260-Q264 PolarHBondContact O-N 2.94Å
261A94.2Very high89.7Confident3 Ų368.8 Ų68.83%0.02536%0.362CS..Hα-helixtrans-68.2-33-179.600000112.9L238 T257 L258 T259 Q264 G265 K266 F267L238-A261 HydrophobicContact CD1-CB 3.53Å; L238-A261 HydrophobicContact CD2-CB 3.42Å; L238-A261 VanDerWaalsContact CD2-CB 3.42Å; L238-A261 HydrophobicContact CG-CB 4.12Å; T257-A261 WeakPolarHBondContact O-CB 3.3Å; T257-A261 PolarHBondContact O-N 2.93Å; L258-A261 PolarHBondContact O-N 3.35Å; T259-A261 PolarHBondContact O-N 2.68Å; A261-Q264 CarbonylContact O-C 3.6Å; A261-Q264 PolarHBondContact O-N 2.87Å; A261-G265 PolarHBondContact O-N 2.86Å; A261-K266 HydrophobicContact CB-CB 4.23Å; A261-K266 HydrophobicContact CB-CD 3.92Å; A261-K266 WeakPolarHBondContact O-CB 3.33Å; A261-K266 PolarHBondContact O-N 3.14Å; A261-F267 HydrophobicContact CB-CD1 4.36Å; A261-F267 HydrophobicContact CB-CE1 3.9Å
262Q92.8Very high90.8Very high50 Ų5065.5 Ų65.523%0.23434%0.341CS..Hα-helixtrans-64.2-45173.4-176.259.225.700110.7L258 T259 R260 Q264 G265 F267 V269L258-Q262 VanDerWaalsContact O-CB 3.25Å; L258-Q262 WeakPolarHBondContact O-CB 3.29Å; L258-Q262 PolarHBondContact O-N 2.8Å; T259-Q262 PolarHBondContact O-N 3.21Å; R260-Q262 VanDerWaalsContact C-N 3.33Å; R260-Q262 PolarHBondContact O-N 3.46Å; Q262-Q264 PolarHBondContact O-N 2.76Å; Q262-G265 PolarHBondContact O-N 2.73Å; Q262-F267 HydrophobicContact CB-CE1 4.01Å; Q262-F267 HydrophobicContact CB-CZ 3.8Å; Q262-F267 HydrophobicContact CG-CZ 4.46Å; Q262-F267 VanDerWaalsContact OE1-CD2 3.3Å; Q262-F267 VanDerWaalsContact OE1-CZ 3.22Å; Q262-F267 PolarHBondContact OE1-O 2.9Å; Q262-F267 VanDerWaalsContact OE1-O 3.11Å; Q262-V269 VanDerWaalsContact CD-CG1 3.44Å; Q262-V269 HydrophobicContact CG-CG1 4.03Å
263M91.8Very high91.4Very high163 Ų16364.9 Ų64.980%0.80333%0.334SS*.Hα-helixtrans-63-21.9175.5-64.2-60.3-73.900113T259 R260T259-M263 VanDerWaalsContact O-CG 3.31Å; T259-M263 WeakPolarHBondContact O-CG 3.44Å; T259-M263 PolarHBondContact O-N 2.7Å; T259-M263 VanDerWaalsContact O-N 3.1Å; R260-M263 PolarHBondContact O-N 3.3Å
264Q94.3Very high92Very high127 Ų12769.1 Ų69.159%0.59336%0.356SS*.THydrogen-bonded Turntrans-89.60.9173.8-67.7172.2-900113.3R260 A261 Q262 K266R260-Q264 WeakPolarHBondContact O-CG 3.34Å; R260-Q264 PolarHBondContact O-N 2.94Å; A261-Q264 CarbonylContact O-C 3.6Å; A261-Q264 PolarHBondContact O-N 2.87Å; Q262-Q264 PolarHBondContact O-N 2.76Å; Q264-K266 VanDerWaalsContact C-N 3.32Å; Q264-K266 HydrophobicContact CB-CD 4.43Å; Q264-K266 HydrophobicContact CB-CG 4.12Å; Q264-K266 PolarHBondContact O-N 3.28Å
265G94.2Very high92.5Very high64 Ų6468 Ų6866%0.6635%0.351SS*.THydrogen-bonded Turntrans68.424.7-178.900000114.6A261 Q262 F267A261-G265 PolarHBondContact O-N 2.86Å; Q262-G265 PolarHBondContact O-N 2.73Å; G265-F267 VanDerWaalsContact C-N 3.3Å; G265-F267 PolarHBondContact O-N 2.83Å
266K96Very high92.7Very high111 Ų11167.7 Ų67.748%0.48335%0.353SS..SBendtrans-74.3-16.8-175.5-72.6-178.5168.7165.40114.6L238 K244 A261 Q264L238-K266 HydrophobicContact CD2-CB 4.34Å; K244-K266 VanDerWaalsContact CE-O 3.26Å; K244-K266 WeakPolarHBondContact CE-O 3.34Å; A261-K266 HydrophobicContact CB-CB 4.23Å; A261-K266 HydrophobicContact CB-CD 3.92Å; A261-K266 WeakPolarHBondContact O-CB 3.33Å; A261-K266 PolarHBondContact O-N 3.14Å; Q264-K266 VanDerWaalsContact C-N 3.32Å; Q264-K266 HydrophobicContact CB-CD 4.43Å; Q264-K266 HydrophobicContact CB-CG 4.12Å; Q264-K266 PolarHBondContact O-N 3.28Å
267F96.9Very high92.7Very high12 Ų1265.9 Ų65.95%0.05334%0.338CS..SBendtrans-155.1163.2177.363.8-81.7000110F237 L238 K244 L246 L258 A261 Q262 G265 V269F237-F267 HydrophobicContact CE1-CB 4.03Å; F237-F267 HydrophobicContact CE1-CD1 4Å; F237-F267 AromaticContact CE1-CD2 3.91Å; F237-F267 HydrophobicContact CE1-CD2 3.91Å; F237-F267 HydrophobicContact CE1-CE1 4.45Å; F237-F267 HydrophobicContact CE1-CE2 4.38Å; F237-F267 AromaticContact CE1-CG 3.72Å; F237-F267 HydrophobicContact CE1-CG 3.72Å; F237-F267 HydrophobicContact CZ-CB 4.12Å; F237-F267 HydrophobicContact CZ-CD2 4.16Å; F237-F267 HydrophobicContact CZ-CG 4.16Å; L238-F267 HydrophobicContact CD2-CD1 3.8Å; L238-F267 HydrophobicContact CD2-CE1 4.04Å; K244-F267 HydrophobicContact CB-CB 3.59Å; L246-F267 HydrophobicContact CB-CD2 3.83Å; L246-F267 HydrophobicContact CB-CE2 3.75Å; L246-F267 HydrophobicContact CD2-CE2 3.7Å; L246-F267 HydrophobicContact CD2-CZ 4.28Å; L246-F267 HydrophobicContact CG-CE2 4.39Å; L258-F267 HydrophobicContact CB-CE1 4.49Å; L258-F267 HydrophobicContact CB-CZ 4.1Å; L258-F267 HydrophobicContact CD2-CE1 4.28Å; L258-F267 HydrophobicContact CD2-CZ 4.39Å; A261-F267 HydrophobicContact CB-CD1 4.36Å; A261-F267 HydrophobicContact CB-CE1 3.9Å; Q262-F267 HydrophobicContact CB-CE1 4.01Å; Q262-F267 HydrophobicContact CB-CZ 3.8Å; Q262-F267 HydrophobicContact CG-CZ 4.46Å; Q262-F267 VanDerWaalsContact OE1-CD2 3.3Å; Q262-F267 VanDerWaalsContact OE1-CZ 3.22Å; Q262-F267 PolarHBondContact OE1-O 2.9Å; Q262-F267 VanDerWaalsContact OE1-O 3.11Å; G265-F267 VanDerWaalsContact C-N 3.3Å; G265-F267 PolarHBondContact O-N 2.83Å; F267-V269 HydrophobicContact CE2-CB 4.09Å; F267-V269 HydrophobicContact CE2-CG2 4.4Å
268Q95.9Very high92.9Very high46 Ų4663.7 Ų63.722%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-87.9136.4170.9-176175.8-23.700109.1K244 L245 L246K244-Q268 PolarHBondContact O-N 3.42Å; L245-Q268 CarbonylContact C-O 3.59Å; L245-Q268 WeakPolarHBondContact CA-O 3.37Å; L245-Q268 HydrophobicContact CD1-CB 3.91Å; L245-Q268 HydrophobicContact CD1-CG 3.75Å; L246-Q268 PolarHBondContact N-O 2.86Å
269V94.9Very high93Very high49 Ų4963.5 Ų63.530%0.29732%0.324SS..EExtended strand (participates in β ladder)trans-118.3138.717276.90000109.6L246 L248 Q262 F267L246-V269 HydrophobicContact CB-CG2 4.35Å; L246-V269 HydrophobicContact CD2-CG2 4.4Å; L246-V269 HydrophobicContact CG-CG2 4.49Å; L246-V269 CarbonylContact O-C 3.53Å; L246-V269 VanDerWaalsContact O-CA 3.29Å; L246-V269 WeakPolarHBondContact O-CA 2.89Å; L248-V269 HydrophobicContact CD1-CG2 4.22Å; Q262-V269 VanDerWaalsContact CD-CG1 3.44Å; Q262-V269 HydrophobicContact CG-CG1 4.03Å; F267-V269 HydrophobicContact CE2-CB 4.09Å; F267-V269 HydrophobicContact CE2-CG2 4.4Å
270T95.1Very high93.3Very high31 Ų3160.5 Ų60.519%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-130.2131.8171.2-61.20000109.3L246 I247 L248 M272 T290L246-T270 PolarHBondContact O-N 2.8Å; I247-T270 WeakPolarHBondContact CA-O 3.33Å; L248-T270 PolarHBondContact N-O 3.04Å; T270-M272 HydrophobicContact CG2-CE 3.88Å; T270-T290 HydrophobicContact CG2-CG2 3.93Å; T270-T290 WeakPolarHBondContact OG1-CG2 3.38Å
271L93.4Very high93.6Very high64 Ų6452.4 Ų52.434%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-94.9128174.4-174.471.4000110.1L248 V251 Q273L248-L271 HydrophobicContact CB-CD1 4.38Å; L248-L271 WeakPolarHBondContact O-CA 3.34Å; V251-L271 HydrophobicContact CG2-CD1 3.59Å; V251-L271 HydrophobicContact CG2-CD2 3.42Å; V251-L271 VanDerWaalsContact CG2-CD2 3.42Å; V251-L271 HydrophobicContact CG2-CG 4.06Å; L271-Q273 HydrophobicContact CD2-CG 3.71Å; L271-Q273 HydrophobicContact CG-CG 4.04Å
272M92.9Very high93.7Very high11 Ų1153.1 Ų53.15%0.05428%0.278CS..  trans-109.680.5177.6-71.1-66.3179.300110.3I247 L248 T270 T275 V279 K286 V287 T290I247-M272 HydrophobicContact CG2-CB 4.37Å; I247-M272 HydrophobicContact CG2-CG 3.54Å; L248-M272 PolarHBondContact O-N 2.68Å; T270-M272 HydrophobicContact CG2-CE 3.88Å; M272-T275 HydrophobicContact CB-CG2 4.3Å; M272-T275 PolarHBondContact O-OG1 3.27Å; M272-V279 HydrophobicContact CB-CG1 3.5Å; M272-V279 VanDerWaalsContact CB-CG1 3.5Å; M272-V279 HydrophobicContact CG-CG1 3.72Å; M272-K286 HydrophobicContact CE-CB 3.78Å; M272-K286 VanDerWaalsContact CE-O 3.25Å; M272-K286 WeakPolarHBondContact CE-O 3.46Å; M272-K286 HydrophobicContact SD-CB 3.68Å; M272-K286 HydrophobicContact SD-CD 4.24Å; M272-V287 HydrophobicContact CE-CG2 4.45Å; M272-T290 WeakPolarHBondContact CE-OG1 3.4Å
273Q88Confident93.9Very high121 Ų12152 Ų5257%0.56528%0.275SS*.THydrogen-bonded Turntrans-60152.7178.8-64.2-179.1-34.300111.8L271 T275L271-Q273 HydrophobicContact CD2-CG 3.71Å; L271-Q273 HydrophobicContact CG-CG 4.04Å; Q273-T275 PolarHBondContact O-N 3.04Å
274H86.4Confident94.2Very high157 Ų15744.6 Ų44.673%0.72724%0.239SC*.THydrogen-bonded Turntrans67.312.7179.3-46.8-70.6000115.9R186R186-H274 PolarHBondContact NH1-O 3.24Å
275T91.3Very high94.2Very high14 Ų1443.5 Ų43.59%0.08624%0.238CC..  trans-98.2153.4170.5620000111.3M272 Q273 V279 D282 S283M272-T275 HydrophobicContact CB-CG2 4.3Å; M272-T275 PolarHBondContact O-OG1 3.27Å; Q273-T275 PolarHBondContact O-N 3.04Å; T275-V279 HydrophobicContact CG2-CG1 4.12Å; T275-D282 HydrophobicContact CG2-CB 3.92Å; T275-S283 WeakPolarHBondContact CG2-OG 3.38Å
276G90.1Very high94.3Very high15 Ų1545.6 Ų45.616%0.15523%0.229CC..  trans-84.1-155.9165.700000111.1C278 D282G276-C278 VanDerWaalsContact C-N 3.3Å; G276-C278 PolarHBondContact O-N 2.98Å; G276-D282 WeakPolarHBondContact CA-OD2 3.31Å; G276-D282 PolarHBondContact N-OD2 3.33Å
277H89.5Confident94.4Very high61 Ų6140.3 Ų40.328%0.28221%0.206SC..SBendtrans-64.3-34.6178.6-173.466.8000112.6H119 S120 D145 V279H119-H277 AromaticContact CE1-CD2 3.62Å; H119-H277 AromaticContact CE1-NE2 3.62Å; H119-H277 AromaticContact NE2-CD2 3.62Å; H119-H277 AromaticContact NE2-NE2 3.57Å; H119-H277 PolarHBondContact NE2-O 3.1Å; S120-H277 WeakPolarHBondContact CB-NE2 3.32Å; S120-H277 PolarHBondContact OG-NE2 2.93Å; D145-H277 WeakPolarHBondContact OD2-CA 3.25Å; D145-H277 IonicContact OD2-CE1 2.7Å; D145-H277 IonicContact OD2-CG 3.14Å; D145-H277 IonicContact OD2-ND1 2.73Å; D145-H277 PolarHBondContact OD2-ND1 3.32Å; H277-V279 VanDerWaalsContact C-N 3.29Å; H277-V279 PolarHBondContact O-N 3.18Å; H277-V279 VanDerWaalsContact O-N 3.1Å
278C94.6Very high94.4Very high0 Ų040 Ų400%021%0.206CC..  trans-87.460.5180-67.40000112.1Y60 V185 G276 H280 E281 D282Y60-C278 WeakPolarHBondContact CE1-SG 3.38Å; Y60-C278 PolarHBondContact OH-SG 2.99Å; V185-C278 HydrophobicContact CG2-CB 4.4Å; G276-C278 VanDerWaalsContact C-N 3.3Å; G276-C278 PolarHBondContact O-N 2.98Å; C278-H280 PolarHBondContact O-N 2.8Å; C278-H280 VanDerWaalsContact O-N 3.08Å; C278-E281 HydrophobicContact CB-CB 3.95Å; C278-E281 HydrophobicContact CB-CG 4.13Å; C278-E281 WeakPolarHBondContact O-CA 3.1Å; C278-E281 PolarHBondContact O-N 3.23Å; C278-D282 PolarHBondContact O-N 3.44Å
279V96.5Very high94.4Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-49.5-41-175.8-1730000113.5I144 D145 I247 A249 M272 T275 H277 E281 D282 S283 V287I144-V279 HydrophobicContact CG2-CB 3.84Å; I144-V279 HydrophobicContact CG2-CG2 4.17Å; D145-V279 HydrophobicContact CB-CG2 3.85Å; I247-V279 HydrophobicContact CG2-CG1 4.07Å; A249-V279 HydrophobicContact CB-CG2 3.85Å; M272-V279 HydrophobicContact CB-CG1 3.5Å; M272-V279 VanDerWaalsContact CB-CG1 3.5Å; M272-V279 HydrophobicContact CG-CG1 3.72Å; T275-V279 HydrophobicContact CG2-CG1 4.12Å; H277-V279 VanDerWaalsContact C-N 3.29Å; H277-V279 PolarHBondContact O-N 3.18Å; H277-V279 VanDerWaalsContact O-N 3.1Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-D282 PolarHBondContact O-N 3.35Å; V279-S283 PolarHBondContact O-N 2.96Å; V279-V287 HydrophobicContact CG1-CG2 3.85Å
280H97.9Very high94.5Very high1 Ų139.8 Ų39.81%0.00520%0.202CC..Hα-helixtrans-74.2-19.718065.8-72.7000114.3S64 W65 H119 I144 C278 P284 V287S64-H280 WeakPolarHBondContact CB-NE2 3.32Å; S64-H280 PolarHBondContact O-CD2 3.43Å; S64-H280 VanDerWaalsContact O-CD2 3.29Å; W65-H280 AromaticContact CD2-CD2 3.71Å; W65-H280 AromaticContact CE2-CD2 3.98Å; W65-H280 HydrophobicContact CE3-CB 4.15Å; W65-H280 AromaticContact CE3-CD2 3.54Å; W65-H280 HydrophobicContact CH2-CB 4.24Å; W65-H280 AromaticContact CH2-CD2 3.98Å; W65-H280 AromaticContact CH2-CG 3.96Å; W65-H280 HydrophobicContact CZ3-CB 3.67Å; W65-H280 AromaticContact CZ3-CD2 3.68Å; W65-H280 AromaticContact CZ3-CG 3.73Å; H119-H280 AromaticContact CD2-CE1 3.88Å; H119-H280 AromaticContact CD2-ND1 3.81Å; H119-H280 AromaticContact CE1-CE1 3.95Å; H119-H280 AromaticContact CG-CE1 3.37Å; H119-H280 AromaticContact CG-ND1 3.66Å; H119-H280 AromaticContact ND1-CE1 3.47Å; H119-H280 PolarHBondContact ND1-CE1 3.32Å; I144-H280 HydrophobicContact CD1-CB 4.19Å; C278-H280 PolarHBondContact O-N 2.8Å; C278-H280 VanDerWaalsContact O-N 3.08Å; H280-P284 WeakPolarHBondContact O-CA 3.32Å; H280-P284 WeakPolarHBondContact O-CB 3.34Å; H280-V287 HydrophobicContact CB-CG1 4.27Å
281E98.2Very high94.7Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-88.3-39.6170.9-63-162.5-125.900110.7S64 V185 N187 S190 S194 C278 V279 P284S64-E281 WeakPolarHBondContact CB-OE1 3.18Å; S64-E281 WeakPolarHBondContact O-CG 3.2Å; S64-E281 PolarHBondContact OG-OE1 3.05Å; V185-E281 HydrophobicContact CG1-CB 3.79Å; V185-E281 HydrophobicContact CG2-CB 4.4Å; V185-E281 WeakPolarHBondContact CG2-OE2 3.22Å; N187-E281 WeakPolarHBondContact CB-O 3.41Å; N187-E281 PolarHBondContact ND2-O 2.9Å; N187-E281 VanDerWaalsContact ND2-O 3.11Å; S190-E281 WeakPolarHBondContact CB-O 3.41Å; S190-E281 WeakPolarHBondContact OG-CA 3.29Å; S190-E281 VanDerWaalsContact OG-CB 3.28Å; S190-E281 WeakPolarHBondContact OG-CB 3.48Å; S190-E281 WeakPolarHBondContact OG-CG 3.37Å; S190-E281 PolarHBondContact OG-OE2 3.17Å; S194-E281 WeakPolarHBondContact CB-OE2 3.4Å; S194-E281 PolarHBondContact OG-OE2 3.34Å; C278-E281 HydrophobicContact CB-CB 3.95Å; C278-E281 HydrophobicContact CB-CG 4.13Å; C278-E281 WeakPolarHBondContact O-CA 3.1Å; C278-E281 PolarHBondContact O-N 3.23Å; V279-E281 VanDerWaalsContact C-N 3.34Å; E281-P284 WeakPolarHBondContact O-CD 3.16Å
282D97.5Very high94.9Very high19 Ų1935.2 Ų35.210%0.10218%0.177CC..Hα-helixtrans-74.5-33.7-176.1-69.1-14.5000113.4R186 T275 G276 C278 V279R186-D282 WeakPolarHBondContact CB-OD1 3.24Å; R186-D282 PolarHBondContact N-OD1 2.85Å; T275-D282 HydrophobicContact CG2-CB 3.92Å; G276-D282 WeakPolarHBondContact CA-OD2 3.31Å; G276-D282 PolarHBondContact N-OD2 3.33Å; C278-D282 PolarHBondContact O-N 3.44Å; V279-D282 PolarHBondContact O-N 3.35Å
283S96.6Very high95.1Very high25 Ų2537.7 Ų37.718%0.17519%0.188CC..SBendtrans-141.162.2179.6-69.40000111.4T275 V279 D285 K286 V287T275-S283 WeakPolarHBondContact CG2-OG 3.38Å; V279-S283 PolarHBondContact O-N 2.96Å; S283-D285 VanDerWaalsContact C-N 3.26Å; S283-D285 PolarHBondContact O-N 3.44Å; S283-K286 PolarHBondContact O-N 2.91Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 2.82Å
284P97.3Very high95.6Very high8 Ų831.9 Ų31.95%0.05216%0.161CC..Hα-helixtrans-57.6-38.6-175.623.5-33.8000112.3C67 H280 E281 V287 G288C67-P284 HydrophobicContact CB-CB 3.66Å; C67-P284 HydrophobicContact CB-CG 3.64Å; H280-P284 WeakPolarHBondContact O-CA 3.32Å; H280-P284 WeakPolarHBondContact O-CB 3.34Å; E281-P284 WeakPolarHBondContact O-CD 3.16Å; P284-V287 PolarHBondContact O-N 2.85Å; P284-G288 PolarHBondContact O-N 3.38Å
285D95.2Very high96.1Very high104 Ų10424.4 Ų24.456%0.55613%0.127SC*.Hα-helixtrans-64.6-48.8-178.9-54.7-37000111.7S283 V287 G288 E289S283-D285 VanDerWaalsContact C-N 3.26Å; S283-D285 PolarHBondContact O-N 3.44Å; D285-V287 VanDerWaalsContact C-N 3.34Å; D285-V287 PolarHBondContact O-N 3.22Å; D285-G288 CarbonylContact O-C 3.58Å; D285-G288 WeakPolarHBondContact O-CA 3.5Å; D285-G288 PolarHBondContact O-N 2.89Å; D285-E289 WeakPolarHBondContact O-CB 3.18Å; D285-E289 PolarHBondContact O-N 2.65Å
286K96Very high96.4Very high109 Ų10926.3 Ų26.347%0.47414%0.138SC..Hα-helixtrans-65.2-38.9179.1-63.1-176.5178.7177.40111.9M272 S283 T290M272-K286 HydrophobicContact CE-CB 3.78Å; M272-K286 VanDerWaalsContact CE-O 3.25Å; M272-K286 WeakPolarHBondContact CE-O 3.46Å; M272-K286 HydrophobicContact SD-CB 3.68Å; M272-K286 HydrophobicContact SD-CD 4.24Å; S283-K286 PolarHBondContact O-N 2.91Å; K286-T290 WeakPolarHBondContact O-CB 3.39Å; K286-T290 PolarHBondContact O-N 3.22Å; K286-T290 PolarHBondContact O-OG1 3.38Å
287V97.6Very high96.7Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-65.1-43.6174.1173.40000110.3F68 I144 I247 M272 V279 H280 S283 P284 D285 T290 I291F68-V287 HydrophobicContact CD2-CB 4.47Å; F68-V287 HydrophobicContact CD2-CG1 3.9Å; F68-V287 HydrophobicContact CE2-CG1 3.93Å; I144-V287 HydrophobicContact CD1-CG1 3.95Å; I247-V287 HydrophobicContact CD1-CG1 4.19Å; M272-V287 HydrophobicContact CE-CG2 4.45Å; V279-V287 HydrophobicContact CG1-CG2 3.85Å; H280-V287 HydrophobicContact CB-CG1 4.27Å; S283-V287 WeakPolarHBondContact O-CG2 3.47Å; S283-V287 PolarHBondContact O-N 2.82Å; P284-V287 PolarHBondContact O-N 2.85Å; D285-V287 VanDerWaalsContact C-N 3.34Å; D285-V287 PolarHBondContact O-N 3.22Å; V287-T290 PolarHBondContact O-N 3.1Å; V287-I291 HydrophobicContact CG1-CD1 3.9Å; V287-I291 WeakPolarHBondContact O-CB 3.11Å; V287-I291 WeakPolarHBondContact O-CG1 3.38Å; V287-I291 PolarHBondContact O-N 2.81Å
288G97.4Very high97Very high5 Ų534.2 Ų34.25%0.05216%0.163CC..Hα-helixtrans-56.3-50.7173.700000112.4P284 D285 I291 A292P284-G288 PolarHBondContact O-N 3.38Å; D285-G288 CarbonylContact O-C 3.58Å; D285-G288 WeakPolarHBondContact O-CA 3.5Å; D285-G288 PolarHBondContact O-N 2.89Å; G288-I291 PolarHBondContact O-N 2.76Å; G288-A292 VanDerWaalsContact O-CB 3.25Å; G288-A292 WeakPolarHBondContact O-CB 3.36Å; G288-A292 PolarHBondContact O-N 3.36Å
289E96.4Very high97.1Very high79 Ų7945.2 Ų45.237%0.36921%0.205SC..Hα-helixtrans-61.9-46.4178.6-169.8-171.1169.200111.9D285 I291 A292 Q293D285-E289 WeakPolarHBondContact O-CB 3.18Å; D285-E289 PolarHBondContact O-N 2.65Å; E289-I291 VanDerWaalsContact C-N 3.34Å; E289-I291 PolarHBondContact O-N 2.96Å; E289-A292 PolarHBondContact O-N 3.34Å; E289-Q293 WeakPolarHBondContact O-CB 3.06Å; E289-Q293 VanDerWaalsContact O-CG 3.3Å; E289-Q293 WeakPolarHBondContact O-CG 3.47Å; E289-Q293 PolarHBondContact O-N 3.23Å; E289-Q293 PolarHBondContact OE1-NE2 3.34Å; E289-Q293 VanDerWaalsContact OE1-NE2 3.08Å
290T97.3Very high97.1Very high11 Ų1146.8 Ų46.87%0.06721%0.213CC..Hα-helixtrans-61.7-43.7179.2-60.60000111.3L245 I247 T270 M272 K286 V287 F294L245-T290 HydrophobicContact CD1-CG2 4.29Å; L245-T290 HydrophobicContact CD2-CG2 4.04Å; I247-T290 HydrophobicContact CD1-CG2 4.25Å; I247-T290 HydrophobicContact CG1-CG2 4.43Å; T270-T290 HydrophobicContact CG2-CG2 3.93Å; T270-T290 WeakPolarHBondContact OG1-CG2 3.38Å; M272-T290 WeakPolarHBondContact CE-OG1 3.4Å; K286-T290 WeakPolarHBondContact O-CB 3.39Å; K286-T290 PolarHBondContact O-N 3.22Å; K286-T290 PolarHBondContact O-OG1 3.38Å; V287-T290 PolarHBondContact O-N 3.1Å; T290-F294 WeakPolarHBondContact O-CB 3.18Å; T290-F294 PolarHBondContact O-N 3.33Å
291I98.2Very high96.9Very high0 Ų047.3 Ų47.30%022%0.218CC..Hα-helixtrans-69.3-40.8177.4-67.2176.4000110.1F68 I71 V117 V142 L245 I247 V287 G288 E289 Q293 F294 L295F68-I291 HydrophobicContact CE2-CD1 3.73Å; F68-I291 HydrophobicContact CZ-CD1 3.83Å; F68-I291 HydrophobicContact CZ-CG2 4.48Å; I71-I291 HydrophobicContact CD1-CB 3.92Å; I71-I291 HydrophobicContact CD1-CG2 3.67Å; V117-I291 HydrophobicContact CG1-CD1 3.93Å; V142-I291 HydrophobicContact CG1-CD1 3.97Å; V142-I291 HydrophobicContact CG1-CG1 4.19Å; L245-I291 HydrophobicContact CD2-CG1 4.06Å; I247-I291 HydrophobicContact CD1-CD1 4.34Å; I247-I291 HydrophobicContact CD1-CG1 4.13Å; V287-I291 HydrophobicContact CG1-CD1 3.9Å; V287-I291 WeakPolarHBondContact O-CB 3.11Å; V287-I291 WeakPolarHBondContact O-CG1 3.38Å; V287-I291 PolarHBondContact O-N 2.81Å; G288-I291 PolarHBondContact O-N 2.76Å; E289-I291 VanDerWaalsContact C-N 3.34Å; E289-I291 PolarHBondContact O-N 2.96Å; I291-Q293 PolarHBondContact O-N 3.23Å; I291-F294 WeakPolarHBondContact O-CB 3.28Å; I291-F294 PolarHBondContact O-N 2.79Å; I291-L295 HydrophobicContact CG2-CD1 3.95Å; I291-L295 HydrophobicContact CG2-CG 4.16Å; I291-L295 WeakPolarHBondContact O-CG 3.49Å; I291-L295 PolarHBondContact O-N 2.74Å
292A97.7Very high96.7Very high0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-58.1-47.8175.300000111.9I71 A74 V75 G288 E289 F294 L295 V296 L307I71-A292 HydrophobicContact CG1-CB 4.42Å; A74-A292 HydrophobicContact CB-CB 4.12Å; V75-A292 HydrophobicContact CG1-CB 3.78Å; V75-A292 HydrophobicContact CG2-CB 4.26Å; G288-A292 VanDerWaalsContact O-CB 3.25Å; G288-A292 WeakPolarHBondContact O-CB 3.36Å; G288-A292 PolarHBondContact O-N 3.36Å; E289-A292 PolarHBondContact O-N 3.34Å; A292-F294 VanDerWaalsContact C-N 3.33Å; A292-F294 PolarHBondContact O-N 3.15Å; A292-L295 PolarHBondContact O-N 2.85Å; A292-V296 WeakPolarHBondContact O-CG2 3.36Å; A292-V296 PolarHBondContact O-N 2.91Å; A292-L307 HydrophobicContact CB-CD1 4.48Å; A292-L307 HydrophobicContact CB-CD2 4.18Å
293Q97.1Very high96.4Very high62 Ų6253.1 Ų53.129%0.2926%0.258SS..Hα-helixtrans-59.6-43175.3-71.5173.14.500111.7E289 I291 V296 R297 L307E289-Q293 WeakPolarHBondContact O-CB 3.06Å; E289-Q293 VanDerWaalsContact O-CG 3.3Å; E289-Q293 WeakPolarHBondContact O-CG 3.47Å; E289-Q293 PolarHBondContact O-N 3.23Å; E289-Q293 PolarHBondContact OE1-NE2 3.34Å; E289-Q293 VanDerWaalsContact OE1-NE2 3.08Å; I291-Q293 PolarHBondContact O-N 3.23Å; Q293-V296 PolarHBondContact O-N 3.38Å; Q293-R297 WeakPolarHBondContact O-CB 3.39Å; Q293-R297 PolarHBondContact O-N 3.2Å; Q293-L307 HydrophobicContact CG-CD1 4.26Å
294F98.1Very high95.9Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-59.6-47.3174.1169.6-94.7000111.8V142 P243 L245 T290 I291 A292 V296 R297 F298 L300V142-F294 HydrophobicContact CG2-CD1 4.4Å; V142-F294 HydrophobicContact CG2-CE1 4.21Å; P243-F294 HydrophobicContact CB-CE2 3.93Å; P243-F294 HydrophobicContact CB-CZ 3.72Å; L245-F294 HydrophobicContact CB-CD2 3.82Å; L245-F294 HydrophobicContact CB-CE2 3.89Å; L245-F294 HydrophobicContact CB-CG 4.24Å; L245-F294 HydrophobicContact CB-CZ 4.37Å; L245-F294 HydrophobicContact CD2-CB 3.97Å; L245-F294 HydrophobicContact CD2-CD2 4.37Å; L245-F294 HydrophobicContact CD2-CG 4.08Å; T290-F294 WeakPolarHBondContact O-CB 3.18Å; T290-F294 PolarHBondContact O-N 3.33Å; I291-F294 WeakPolarHBondContact O-CB 3.28Å; I291-F294 PolarHBondContact O-N 2.79Å; A292-F294 VanDerWaalsContact C-N 3.33Å; A292-F294 PolarHBondContact O-N 3.15Å; F294-V296 PolarHBondContact O-N 2.79Å; F294-R297 PolarHBondContact O-N 2.97Å; F294-F298 AromaticContact CD2-CD2 3.57Å; F294-F298 HydrophobicContact CD2-CD2 3.57Å; F294-F298 AromaticContact CD2-CE2 3.5Å; F294-F298 HydrophobicContact CD2-CE2 3.5Å; F294-F298 AromaticContact CE2-CD2 3.47Å; F294-F298 HydrophobicContact CE2-CD2 3.47Å; F294-F298 VanDerWaalsContact CE2-CD2 3.47Å; F294-F298 AromaticContact CE2-CE2 3.37Å; F294-F298 HydrophobicContact CE2-CE2 3.37Å; F294-F298 HydrophobicContact CE2-CZ 4.43Å; F294-F298 HydrophobicContact CG-CD2 4.2Å; F294-F298 HydrophobicContact CZ-CD2 4.02Å; F294-F298 HydrophobicContact CZ-CE2 4.3Å; F294-F298 VanDerWaalsContact O-CD2 3.3Å; F294-F298 WeakPolarHBondContact O-CD2 3.32Å; F294-F298 PolarHBondContact O-N 3.39Å; F294-F298 VanDerWaalsContact O-N 3.11Å; F294-L300 HydrophobicContact CE1-CD1 4.35Å
295L97.7Very high94.7Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-62.1-43.9179.7-66.8170.8000111.8V50 L52 I71 V75 V115 I291 A292 R299 L300 A301V50-L295 HydrophobicContact CG1-CD1 4.26Å; V50-L295 HydrophobicContact CG1-CD2 4.2Å; L52-L295 HydrophobicContact CD1-CD1 4.31Å; L52-L295 HydrophobicContact CD2-CD1 3.98Å; L52-L295 HydrophobicContact CD2-CD2 4.16Å; I71-L295 HydrophobicContact CD1-CD1 4.4Å; V75-L295 HydrophobicContact CG2-CD1 4.02Å; V115-L295 HydrophobicContact CB-CD2 4.4Å; V115-L295 HydrophobicContact CG1-CD2 4.49Å; V115-L295 HydrophobicContact CG2-CD2 3.74Å; I291-L295 HydrophobicContact CG2-CD1 3.95Å; I291-L295 HydrophobicContact CG2-CG 4.16Å; I291-L295 WeakPolarHBondContact O-CG 3.49Å; I291-L295 PolarHBondContact O-N 2.74Å; A292-L295 PolarHBondContact O-N 2.85Å; L295-R299 PolarHBondContact O-N 2.75Å; L295-L300 HydrophobicContact CB-CB 4.42Å; L295-L300 HydrophobicContact CD2-CB 3.94Å; L295-L300 HydrophobicContact CD2-CD1 4.08Å; L295-L300 PolarHBondContact O-N 3.32Å; L295-A301 HydrophobicContact CB-CB 3.83Å; L295-A301 HydrophobicContact CD1-CB 4.37Å; L295-A301 PolarHBondContact O-N 2.91Å
296V96.7Very high93Very high54 Ų5459 Ų5933%0.32730%0.304SS..Hα-helixtrans-67-45.5177.9173.20000111V75 A292 Q293 F294 F298 R299 A303 L307V75-V296 HydrophobicContact CG1-CG2 3.88Å; A292-V296 WeakPolarHBondContact O-CG2 3.36Å; A292-V296 PolarHBondContact O-N 2.91Å; Q293-V296 PolarHBondContact O-N 3.38Å; F294-V296 PolarHBondContact O-N 2.79Å; V296-F298 VanDerWaalsContact C-N 3.27Å; V296-F298 PolarHBondContact O-N 3.1Å; V296-R299 PolarHBondContact O-N 3.13Å; V296-A303 HydrophobicContact CG2-CB 4.21Å; V296-L307 HydrophobicContact CG2-CD1 4.02Å
297R96.5Very high91.2Very high161 Ų16156.3 Ų56.361%0.60829%0.294SS*.Hα-helixtrans-55-42.9178.7178.1179179.1123.82.1112.2Q293 F294 R299Q293-R297 WeakPolarHBondContact O-CB 3.39Å; Q293-R297 PolarHBondContact O-N 3.2Å; F294-R297 PolarHBondContact O-N 2.97Å; R297-R299 VanDerWaalsContact C-N 3.31Å
298F96.8Very high88.7Confident80 Ų8065.4 Ų65.435%0.35134%0.337SS..THydrogen-bonded Turntrans-91.111.1179.5-69.6-73000113.7P243 F294 V296 L300P243-F298 HydrophobicContact CB-CB 4.47Å; P243-F298 HydrophobicContact CB-CD1 3.7Å; P243-F298 HydrophobicContact CB-CD2 3.8Å; P243-F298 HydrophobicContact CB-CE1 3.78Å; P243-F298 HydrophobicContact CB-CE2 3.9Å; P243-F298 HydrophobicContact CB-CG 3.71Å; P243-F298 HydrophobicContact CB-CZ 3.88Å; P243-F298 HydrophobicContact CG-CB 4.27Å; P243-F298 HydrophobicContact CG-CD1 3.46Å; P243-F298 VanDerWaalsContact CG-CD1 3.46Å; P243-F298 HydrophobicContact CG-CD2 4.38Å; P243-F298 HydrophobicContact CG-CE1 3.83Å; P243-F298 HydrophobicContact CG-CG 3.78Å; P243-F298 HydrophobicContact CG-CZ 4.44Å; F294-F298 AromaticContact CD2-CD2 3.57Å; F294-F298 HydrophobicContact CD2-CD2 3.57Å; F294-F298 AromaticContact CD2-CE2 3.5Å; F294-F298 HydrophobicContact CD2-CE2 3.5Å; F294-F298 AromaticContact CE2-CD2 3.47Å; F294-F298 HydrophobicContact CE2-CD2 3.47Å; F294-F298 VanDerWaalsContact CE2-CD2 3.47Å; F294-F298 AromaticContact CE2-CE2 3.37Å; F294-F298 HydrophobicContact CE2-CE2 3.37Å; F294-F298 HydrophobicContact CE2-CZ 4.43Å; F294-F298 HydrophobicContact CG-CD2 4.2Å; F294-F298 HydrophobicContact CZ-CD2 4.02Å; F294-F298 HydrophobicContact CZ-CE2 4.3Å; F294-F298 VanDerWaalsContact O-CD2 3.3Å; F294-F298 WeakPolarHBondContact O-CD2 3.32Å; F294-F298 PolarHBondContact O-N 3.39Å; F294-F298 VanDerWaalsContact O-N 3.11Å; V296-F298 VanDerWaalsContact C-N 3.27Å; V296-F298 PolarHBondContact O-N 3.1Å; F298-L300 HydrophobicContact CB-CD1 4.19Å; F298-L300 HydrophobicContact CB-CG 4Å; F298-L300 PolarHBondContact O-N 3.38Å
299R96.3Very high86.2Confident232 Ų23266.9 Ų66.988%0.87535%0.352SS*.THydrogen-bonded Turntrans5533.6179.5-53-178.5-177.6-176.6-0.2113.3L295 V296 R297L295-R299 PolarHBondContact O-N 2.75Å; V296-R299 PolarHBondContact O-N 3.13Å; R297-R299 VanDerWaalsContact C-N 3.31Å
300L95.6Very high83Confident32 Ų3272.9 Ų72.917%0.16838%0.377CS..SBendtrans-87.9-26.7176.7-59.7-178.9000111.9V50 V115 A139 F294 L295 F298V50-L300 WeakPolarHBondContact CB-O 3.43Å; V115-L300 HydrophobicContact CG2-CD1 3.81Å; A139-L300 HydrophobicContact CB-CD1 4.48Å; A139-L300 HydrophobicContact CB-CD2 3.74Å; F294-L300 HydrophobicContact CE1-CD1 4.35Å; L295-L300 HydrophobicContact CB-CB 4.42Å; L295-L300 HydrophobicContact CD2-CB 3.94Å; L295-L300 HydrophobicContact CD2-CD1 4.08Å; L295-L300 PolarHBondContact O-N 3.32Å; F298-L300 HydrophobicContact CB-CD1 4.19Å; F298-L300 HydrophobicContact CB-CG 4Å; F298-L300 PolarHBondContact O-N 3.38Å
301A95.3Very high79.8Confident13 Ų1380.3 Ų80.311%0.10741%0.412CS..SBendtrans-142159.5176.400000111.6V50 V75 L295V50-A301 HydrophobicContact CG1-CB 3.88Å; V75-A301 HydrophobicContact CB-CB 4Å; V75-A301 HydrophobicContact CG1-CB 4.37Å; V75-A301 HydrophobicContact CG2-CB 4.48Å; L295-A301 HydrophobicContact CB-CB 3.83Å; L295-A301 HydrophobicContact CD1-CB 4.37Å; L295-A301 PolarHBondContact O-N 2.91Å
302T92.7Very high76.6Confident103 Ų10385.1 Ų85.163%0.63244%0.444SS*.  trans-98.4138.5170.9-49.60000109.1V75 T76V75-T302 WeakPolarHBondContact CA-O 3.46Å; T76-T302 PolarHBondContact N-O 3.08Å
303A92.3Very high73.6Confident38 Ų3894.1 Ų94.131%0.31451%0.505SS..BIsolated β-bridgetrans-69.9136.8173.400000110.5A74 V296 A305 L307A74-A303 WeakPolarHBondContact O-CA 3.36Å; V296-A303 HydrophobicContact CG2-CB 4.21Å; A303-A305 WeakPolarHBondContact CB-O 3.19Å; A303-L307 HydrophobicContact CB-CG 4.44Å
304V86.6Confident72.4Confident86 Ų8695.8 Ų95.852%0.52152%0.516SS..SBendtrans-82.7-29.81771780000110.7S73 A74S73-V304 WeakPolarHBondContact O-CB 3.26Å; A74-V304 PolarHBondContact O-N 2.98Å
305A70.4Confident71Confident53 Ų53100.8 Ų100.844%0.43854%0.543SS..SBendtrans-136.4160173.200000109.3A303 L307A303-A305 WeakPolarHBondContact CB-O 3.19Å; A305-L307 PolarHBondContact O-N 2.94Å
306P60.8Low69.5Low122 Ų122106.4 Ų106.479%0.79257%0.573SS**  trans-55.4118.2171.5-18.229.9000109.1E308P306-E308 PolarHBondContact O-N 2.88Å
307L57.9Low67.9Low52 Ų52109.5 Ų109.527%0.27259%0.587SS.*  trans-66.8102.9172.6-69167.5000106.8A74 A292 Q293 V296 A303 A305 G309A74-L307 HydrophobicContact CB-CD2 4.14Å; A292-L307 HydrophobicContact CB-CD1 4.48Å; A292-L307 HydrophobicContact CB-CD2 4.18Å; Q293-L307 HydrophobicContact CG-CD1 4.26Å; V296-L307 HydrophobicContact CG2-CD1 4.02Å; A303-L307 HydrophobicContact CB-CG 4.44Å; A305-L307 PolarHBondContact O-N 2.94Å; L307-G309 VanDerWaalsContact C-N 3.27Å; L307-G309 PolarHBondContact O-N 3.37Å
308E45.3Very low66.2Low191 Ų191106.3 Ų106.389%0.89359%0.586SS**  trans-68.486.9175.1-75.3-167.9161.400109.6P306P306-E308 PolarHBondContact O-N 2.88Å
309G43.5Very low64.1Low35 Ų35108 Ų10836%0.36160%0.602SS.*SBendtrans-175.9112.1177.200000110.1L307 M311L307-G309 VanDerWaalsContact C-N 3.27Å; L307-G309 PolarHBondContact O-N 3.37Å; G309-M311 PolarHBondContact O-N 3.48Å
310K31.1Very low61.8Low206 Ų20699.1 Ų99.190%0.89658%0.582SS**  trans-42113.2178.5-71.4175.8176.2176.60110.1P312K310-P312 VanDerWaalsContact O-CD 3.27Å; K310-P312 WeakPolarHBondContact O-CD 3.31Å; K310-P312 VanDerWaalsContact O-N 3.09Å
311M30Very low59.2Low166 Ų166104.3 Ų104.382%0.81861%0.614SS**  trans-51.6118.1163.7-86.7175.34400107.4G309 C313G309-M311 PolarHBondContact O-N 3.48Å; M311-C313 PolarHBondContact O-N 3.44Å; M311-C313 VanDerWaalsContact O-N 3.12Å
312P30.4Very low56.2Low101 Ų101111.9 Ų111.966%0.65666%0.656SS**  trans-68.4113.916411.40.9000105.8K310K310-P312 VanDerWaalsContact O-CD 3.27Å; K310-P312 WeakPolarHBondContact O-CD 3.31Å; K310-P312 VanDerWaalsContact O-N 3.09Å
313C33.4Very low52.9Low190 Ų190112.7 Ų112.7100%1.28466%0.659SS**  trans-52.10168.6-57.80000110.8M311M311-C313 PolarHBondContact O-N 3.44Å; M311-C313 VanDerWaalsContact O-N 3.12Å

Retrieved 313 of 313 residues in 493.9 ms (Link to these results)

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