A0A3Q0KGJ4_SCHMA Loading...

Arginase

AlphaFold DB (Q6WVP6), UniProt , Accession A0A3Q0KGJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M35.4Very low36.7Very low241 Ų241132.2 Ų132.2100%1.18770%0.704SS**  089.50-82.3-178-178.800108.3K3M1-K3 PolarHBondContact O-N 3.24Å
2L32.2Very low36.9Very low181 Ų181132.1 Ų132.195%0.94870%0.701SS**  trans-85.997.1172.3-82149.5000107.3
3K33.2Very low37.1Very low193 Ų193135.1 Ų135.184%0.83971%0.709SS**  trans-73.3124.3164.7-79.1-174.3176.8-178.80106.9M1 V5M1-K3 PolarHBondContact O-N 3.24Å; K3-V5 PolarHBondContact O-N 3.33Å
4S36.5Very low37.8Very low110 Ų110138.4 Ų138.477%0.76973%0.728SS**  trans-43.6123.2176.953.60000111.3A6S4-A6 PolarHBondContact O-N 3.21Å; S4-A6 VanDerWaalsContact O-N 3.12Å
5V37Very low38.7Very low80 Ų80139.1 Ų139.149%0.48573%0.725SS.*  trans-60.1114.8160.7-174.90000105.3K3 T7 L247K3-V5 PolarHBondContact O-N 3.33Å; V5-T7 PolarHBondContact O-N 3.33Å; V5-L247 HydrophobicContact CG2-CD2 4.23Å
6A35.3Very low39.6Very low79 Ų79142.1 Ų142.165%0.65373%0.731SS**  trans-61.5112.3-178.200000108.3S4S4-A6 PolarHBondContact O-N 3.21Å; S4-A6 VanDerWaalsContact O-N 3.12Å
7T38.2Very low40.7Very low104 Ų104135.9 Ų135.964%0.63870%0.702SS**  trans-51.9137.6161.34.80000107.7V5 Y9V5-T7 PolarHBondContact O-N 3.33Å; T7-Y9 PolarHBondContact O-N 2.9Å
8P40.5Very low42.2Very low54 Ų54137.3 Ų137.335%0.35170%0.702SS.*  trans-60.8103175.2-8.819.9000108Y10 A296P8-Y10 PolarHBondContact O-N 3.33Å; P8-Y10 VanDerWaalsContact O-N 3.13Å; P8-A296 HydrophobicContact CB-CB 3.8Å; P8-A296 HydrophobicContact CG-CB 3.42Å; P8-A296 VanDerWaalsContact CG-CB 3.42Å
9Y36.4Very low43.9Very low201 Ų201134.1 Ų134.179%0.78869%0.686SS**  trans-73.3104.4179-110.6-93.5000107.9T7 P11T7-Y9 PolarHBondContact O-N 2.9Å; Y9-P11 WeakPolarHBondContact O-CD 3.35Å
10Y42.8Very low45.8Very low111 Ų111129.8 Ų129.844%0.43566%0.664SS.*  trans-72117.8153.1-72.4-81.1000107.1P8 I12 P17P8-Y10 PolarHBondContact O-N 3.33Å; P8-Y10 VanDerWaalsContact O-N 3.13Å; Y10-I12 PolarHBondContact O-N 2.63Å; Y10-I12 VanDerWaalsContact O-N 3.16Å; Y10-P17 HydrophobicContact CD1-CB 3.64Å; Y10-P17 HydrophobicContact CE1-CB 3.99Å
11P36.3Very low47.8Very low100 Ų100123.7 Ų123.765%0.64963%0.633SS**  trans-61.4121.5177.623.7-30.6000109.3Y9 Q13Y9-P11 WeakPolarHBondContact O-CD 3.35Å; P11-Q13 PolarHBondContact O-N 3.27Å; P11-Q13 VanDerWaalsContact O-N 3.16Å
12I39.5Very low50.4Low131 Ų131115.3 Ų115.367%0.67260%0.595SS**  trans-83.384.3175.6-54.6171.9000107.3Y10 P342Y10-I12 PolarHBondContact O-N 2.63Å; Y10-I12 VanDerWaalsContact O-N 3.16Å; I12-P342 HydrophobicContact CD1-CB 4.39Å; I12-P342 HydrophobicContact CG1-CB 4.4Å
13Q38.7Very low53.3Low171 Ų171108 Ų10880%0.79956%0.559SS**SBendtrans-151.1154.1160.3-97.7173.22.500106.7P11 E15P11-Q13 PolarHBondContact O-N 3.27Å; P11-Q13 VanDerWaalsContact O-N 3.16Å; Q13-E15 PolarHBondContact O-N 3.12Å
14D47.6Very low56.3Low182 Ų18298.8 Ų98.897%0.97352%0.519SS*.SBendtrans-53.418.2-167.8-73.6-53.1000118.3
15E51.3Low59.1Low148 Ų14894.6 Ų94.669%0.69249%0.488SS*.SBendtrans-92137.4173.9-62.2-174.6168.800110.5Q13Q13-E15 PolarHBondContact O-N 3.12Å
16K52.7Low62.1Low188 Ų18890.8 Ų90.882%0.81747%0.465SS*.PPolyproline II helixtrans-50.5131.2168.6-71.3-178.4178-177.80108.6K18K16-K18 PolarHBondContact O-N 2.57Å
17P58.8Low65.1Low36 Ų3687.1 Ų87.123%0.23443%0.434CS..PPolyproline II helixtrans-57.8132.2-17922.1-30.7000109.6Y10 L19 H340Y10-P17 HydrophobicContact CD1-CB 3.64Å; Y10-P17 HydrophobicContact CE1-CB 3.99Å; P17-L19 PolarHBondContact O-N 3.42Å; P17-L19 VanDerWaalsContact O-N 3.16Å; P17-H340 VanDerWaalsContact CG-CD2 3.45Å; P17-H340 WeakPolarHBondContact CG-CD2 3.37Å
18K67Low68Low162 Ų16282.1 Ų82.170%0.70440%0.404SS*.PPolyproline II helixtrans-64.4117.7-179.8-69.8-178.1179.5177.20109K16 L20 K120K16-K18 PolarHBondContact O-N 2.57Å; K18-L20 PolarHBondContact O-N 3.41Å; K18-K120 PolarHBondContact O-NZ 3.39Å
19L74.7Confident70.8Confident76 Ų7679.6 Ų79.640%0.39839%0.387SS..PPolyproline II helixtrans-47.6132.3175.1-64175.6000110.6P17 Y21 D59 K120P17-L19 PolarHBondContact O-N 3.42Å; P17-L19 VanDerWaalsContact O-N 3.16Å; L19-Y21 VanDerWaalsContact C-N 3.27Å; L19-Y21 WeakPolarHBondContact CB-O 3.3Å; L19-D59 WeakPolarHBondContact CD1-O 3.43Å; L19-D59 WeakPolarHBondContact CD2-O 3.31Å; L19-K120 VanDerWaalsContact O-CD 3.29Å; L19-K120 WeakPolarHBondContact O-CD 3.42Å; L19-K120 WeakPolarHBondContact O-CE 3.22Å; L19-K120 PolarHBondContact O-NZ 2.88Å
20L82.1Confident73.7Confident48 Ų4870.9 Ų70.925%0.25136%0.356SS..SBendtrans-68.3-33.9177.6-176.163.2000111.3K18 K120 S295K18-L20 PolarHBondContact O-N 3.41Å; L20-K120 WeakPolarHBondContact O-CB 3.34Å; L20-K120 WeakPolarHBondContact O-CD 3.44Å; L20-S295 WeakPolarHBondContact CD2-O 3.4Å
21Y88.1Confident76.3Confident2 Ų266 Ų661%0.00834%0.337CS..  trans-125.6138.2175.4-49.3-62.9000108.6L19 S121 P123 S295 C332 L333L19-Y21 VanDerWaalsContact C-N 3.27Å; L19-Y21 WeakPolarHBondContact CB-O 3.3Å; Y21-S121 VanDerWaalsContact CD1-O 3.27Å; Y21-S121 WeakPolarHBondContact CD1-O 3.4Å; Y21-P123 VanDerWaalsContact CD1-CD 3.49Å; Y21-P123 HydrophobicContact CD1-CG 3.85Å; Y21-P123 HydrophobicContact CD2-CG 4.27Å; Y21-P123 HydrophobicContact CE1-CG 4Å; Y21-P123 HydrophobicContact CE2-CG 4.43Å; Y21-P123 HydrophobicContact CG-CG 3.96Å; Y21-S295 WeakPolarHBondContact CE2-OG 3.4Å; Y21-C332 WeakPolarHBondContact CE2-O 3.5Å; Y21-L333 WeakPolarHBondContact CD2-O 3.45Å
22T89.6Confident79.2Confident65 Ų6562.3 Ų62.340%0.39931%0.312SS..SBendtrans-103.7-19.3172.249.90000111.6Q62T22-Q62 PolarHBondContact O-N 3.04Å
23S93.1Very high81.9Confident27 Ų2758.8 Ų58.819%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-148.2158.2175.960.60000110.4Q62 T122S23-Q62 CarbonylContact C-O 3.29Å; S23-Q62 WeakPolarHBondContact CA-O 3.27Å; S23-Q62 WeakPolarHBondContact CB-O 3.41Å; S23-T122 PolarHBondContact OG-OG1 2.91Å
24A95.4Very high84.6Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-148.8158.5173.100000109.4I61 Q62 L63 T64 P123 L333A24-I61 HydrophobicContact CB-CG2 4.28Å; A24-Q62 PolarHBondContact N-O 3.42Å; A24-L63 HydrophobicContact CB-CD1 3.73Å; A24-L63 WeakPolarHBondContact O-CA 3.32Å; A24-T64 PolarHBondContact O-N 3.49Å; A24-P123 WeakPolarHBondContact CA-O 3.35Å; A24-P123 HydrophobicContact CB-CG 4.08Å; A24-L333 HydrophobicContact CB-CD1 4.32Å; A24-L333 HydrophobicContact CB-CD2 3.82Å
25N97.2Very high87Confident22 Ų2242.7 Ų42.712%0.11821%0.21CC..EExtended strand (participates in β ladder)trans-107.5141.8173.7-66.7-34.8000109.7T64 S109 P123 L124 V125N25-T64 CarbonylContact C-O 3.58Å; N25-S109 PolarHBondContact ND2-OG 3.3Å; N25-P123 PolarHBondContact N-O 3.19Å; N25-P123 VanDerWaalsContact N-O 3.1Å; N25-L124 HydrophobicContact CB-CD1 3.74Å; N25-V125 WeakPolarHBondContact O-CB 3.49Å; N25-V125 PolarHBondContact O-N 2.87Å
26F98.4Very high89.1Confident0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-113.1127.8176.3-178.1-86.8000109.8I47 R48 F52 F53 L63 T64 C66 V125 V127F26-I47 HydrophobicContact CE2-CG2 3.92Å; F26-I47 HydrophobicContact CZ-CB 4.4Å; F26-I47 HydrophobicContact CZ-CG2 4.14Å; F26-R48 HydrophobicContact CE1-CG 4.05Å; F26-R48 HydrophobicContact CZ-CG 4.38Å; F26-F52 HydrophobicContact CD2-CD1 4.37Å; F26-F52 AromaticContact CD2-CE1 3.8Å; F26-F52 HydrophobicContact CD2-CE1 3.8Å; F26-F52 HydrophobicContact CE2-CD1 4.22Å; F26-F52 AromaticContact CE2-CE1 3.97Å; F26-F52 HydrophobicContact CE2-CE1 3.97Å; F26-F53 HydrophobicContact CB-CE1 4.45Å; F26-F53 HydrophobicContact CB-CZ 4.05Å; F26-F53 HydrophobicContact CD1-CE2 4.44Å; F26-F53 AromaticContact CD1-CZ 3.85Å; F26-F53 HydrophobicContact CD1-CZ 3.85Å; F26-F53 HydrophobicContact CD2-CE2 4.37Å; F26-F53 HydrophobicContact CD2-CZ 4.15Å; F26-F53 HydrophobicContact CE1-CZ 4.33Å; F26-F53 HydrophobicContact CE2-CE2 4.39Å; F26-F53 HydrophobicContact CG-CE2 4.36Å; F26-F53 AromaticContact CG-CZ 3.74Å; F26-F53 HydrophobicContact CG-CZ 3.74Å; F26-F53 HydrophobicContact CZ-CE2 4.48Å; F26-L63 HydrophobicContact CB-CD1 4Å; F26-L63 HydrophobicContact CB-CD2 4.28Å; F26-L63 HydrophobicContact CB-CG 4.07Å; F26-L63 HydrophobicContact CD2-CD2 4.44Å; F26-T64 PolarHBondContact N-O 3.46Å; F26-C66 WeakPolarHBondContact O-CA 3.4Å; F26-C66 VanDerWaalsContact O-CB 3.23Å; F26-C66 WeakPolarHBondContact O-CB 3.44Å; F26-C66 PolarHBondContact O-N 2.88Å; F26-V125 CarbonylContact C-O 3.53Å; F26-V125 VanDerWaalsContact CA-O 3.29Å; F26-V125 WeakPolarHBondContact CA-O 3.26Å; F26-V125 HydrophobicContact CD2-CB 4.41Å; F26-V125 HydrophobicContact CD2-CG1 4.01Å; F26-V125 HydrophobicContact CE2-CG1 4.44Å; F26-V127 HydrophobicContact CD2-CG2 4.41Å; F26-V127 HydrophobicContact CE2-CB 4.16Å; F26-V127 HydrophobicContact CE2-CG2 3.36Å; F26-V127 HydrophobicContact CZ-CB 3.86Å; F26-V127 HydrophobicContact CZ-CG2 3.56Å
27L98.8Very high91.2Very high1 Ų135.7 Ų35.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-127.7130178.1179.568.6000109.7I29 C66 I69 R101 V102 L105 L124 V125 I126 V127L27-I29 HydrophobicContact CD2-CD1 4.23Å; L27-I29 HydrophobicContact CD2-CG1 4.28Å; L27-I29 HydrophobicContact CG-CG1 4.24Å; L27-C66 HydrophobicContact CD1-CB 4.29Å; L27-I69 HydrophobicContact CD1-CD1 4.44Å; L27-I69 HydrophobicContact CD1-CG1 4Å; L27-I69 HydrophobicContact CD2-CD1 4.04Å; L27-I69 HydrophobicContact CD2-CG1 4.45Å; L27-I69 HydrophobicContact CG-CG1 4.45Å; L27-R101 HydrophobicContact CD1-CG 4.22Å; L27-R101 HydrophobicContact CD2-CG 4.39Å; L27-V102 HydrophobicContact CD2-CG2 3.98Å; L27-L105 HydrophobicContact CB-CD1 4.38Å; L27-L105 HydrophobicContact CD1-CD1 4.16Å; L27-L105 HydrophobicContact CD2-CD1 4.06Å; L27-L105 HydrophobicContact CG-CD1 4.45Å; L27-L124 HydrophobicContact CB-CD1 4.16Å; L27-V125 PolarHBondContact N-O 3.46Å; L27-I126 HydrophobicContact CB-CG1 4.43Å; L27-I126 HydrophobicContact CD2-CG1 4.5Å; L27-I126 WeakPolarHBondContact O-CA 3.29Å; L27-V127 PolarHBondContact O-N 3.2Å
28G98.8Very high93Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-95.4139.2170.700000112.4G67 D68 I69 V127G28-G67 PolarHBondContact N-O 3.14Å; G28-D68 WeakPolarHBondContact CA-OD1 3.47Å; G28-D68 CarbonylContact O-C 3.3Å; G28-D68 VanDerWaalsContact O-CA 3.3Å; G28-D68 WeakPolarHBondContact O-CA 3.44Å; G28-I69 PolarHBondContact O-N 3.43Å; G28-V127 CarbonylContact C-O 3.27Å; G28-V127 WeakPolarHBondContact CA-O 3.37Å
29I98.6Very high94.4Very high0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-131.685.2176.5-52.4-178.8000108.7L27 T31 I69 I98 I126 V127 G128 G129 M133 T137L27-I29 HydrophobicContact CD2-CD1 4.23Å; L27-I29 HydrophobicContact CD2-CG1 4.28Å; L27-I29 HydrophobicContact CG-CG1 4.24Å; I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 HydrophobicContact CG2-CG2 4.06Å; I29-T31 PolarHBondContact O-N 3.43Å; I29-I69 HydrophobicContact CD1-CD1 4.29Å; I29-I69 HydrophobicContact CG1-CD1 4.16Å; I29-I69 HydrophobicContact CG1-CG1 4.37Å; I29-I98 HydrophobicContact CD1-CD1 4.4Å; I29-I98 HydrophobicContact CD1-CG1 4.2Å; I29-I98 HydrophobicContact CD1-CG2 3.68Å; I29-I98 HydrophobicContact CG2-CD1 3.56Å; I29-I98 HydrophobicContact CG2-CG1 3.88Å; I29-I126 HydrophobicContact CD1-CG2 3.45Å; I29-I126 VanDerWaalsContact CD1-CG2 3.45Å; I29-I126 HydrophobicContact CG1-CG2 3.82Å; I29-V127 PolarHBondContact N-O 2.84Å; I29-G128 CarbonylContact O-C 3.54Å; I29-G128 VanDerWaalsContact O-C 3.23Å; I29-G128 WeakPolarHBondContact O-CA 3.03Å; I29-G129 PolarHBondContact O-N 3.17Å; I29-M133 HydrophobicContact CB-SD 4.04Å; I29-M133 HydrophobicContact CD1-SD 4.25Å; I29-M133 HydrophobicContact CG2-CB 3.95Å; I29-M133 HydrophobicContact CG2-SD 4.41Å; I29-T137 HydrophobicContact CD1-CG2 3.58Å
30P98.4Very high95.5Very high19 Ų1927.7 Ų27.712%0.12315%0.149CC..  trans-7858.3-171.533.5-37.7000113.6Y41 P44 D68 I69 P71P30-Y41 WeakPolarHBondContact CB-O 3.35Å; P30-Y41 VanDerWaalsContact O-CB 3.3Å; P30-Y41 WeakPolarHBondContact O-CB 3.27Å; P30-P44 HydrophobicContact CB-CG 4.16Å; P30-D68 HydrophobicContact CG-CB 4.4Å; P30-I69 WeakPolarHBondContact CD-O 3.45Å; P30-P71 HydrophobicContact CG-CG 4.23Å; P30-P71 WeakPolarHBondContact O-CG 3.36Å
31T98.1Very high96.3Very high7 Ų730.3 Ų30.34%0.04316%0.156CC..  trans-74.9143.8175.646.90000113.2I29 T40 Y41 P71 T94 G129 D130 M133I29-T31 VanDerWaalsContact C-N 3.25Å; I29-T31 HydrophobicContact CG2-CG2 4.06Å; I29-T31 PolarHBondContact O-N 3.43Å; T31-T40 PolarHBondContact O-OG1 3.36Å; T31-Y41 PolarHBondContact O-N 3.31Å; T31-P71 HydrophobicContact CG2-CG 4.37Å; T31-T94 HydrophobicContact CG2-CG2 3.96Å; T31-G129 VanDerWaalsContact O-CA 3.24Å; T31-G129 WeakPolarHBondContact O-CA 3.09Å; T31-D130 VanDerWaalsContact C-OD2 3.31Å; T31-D130 PolarHBondContact O-N 3.38Å; T31-D130 VanDerWaalsContact O-N 3.07Å; T31-D130 PolarHBondContact OG1-N 2.88Å; T31-D130 PolarHBondContact OG1-O 2.81Å; T31-M133 HydrophobicContact CG2-CB 4.43Å
32N96.6Very high96.8Very high24 Ų2432.8 Ų32.813%0.12817%0.168CC..  trans-147.812.3175.364.8-1.3000115I38 T40 D130N32-I38 WeakPolarHBondContact CB-O 3Å; N32-I38 PolarHBondContact ND2-O 2.82Å; N32-T40 WeakPolarHBondContact CA-OG1 3.43Å; N32-D130 WeakPolarHBondContact CA-OD2 3.23Å; N32-D130 PolarHBondContact N-OD2 3.27Å; N32-D130 VanDerWaalsContact N-OD2 3.08Å
33R95.5Very high97.2Very high57 Ų5729.7 Ų29.722%0.21515%0.149CC..SBendtrans-104.5-5.4-176.7-68.2-171.5167.7-146-1.9113.2Q35 E73 L74 W87 S90 D130R33-Q35 PolarHBondContact O-N 3.15Å; R33-E73 VanDerWaalsContact CZ-CA 3.4Å; R33-L74 PolarHBondContact NH1-O 2.94Å; R33-L74 PolarHBondContact NH2-O 3.3Å; R33-W87 HydrophobicContact CB-CB 4.15Å; R33-W87 HydrophobicContact CB-CG 4.12Å; R33-W87 VanDerWaalsContact NH1-CZ3 3.3Å; R33-W87 VanDerWaalsContact O-CD1 3.31Å; R33-S90 PolarHBondContact NH1-OG 2.81Å; R33-S90 VanDerWaalsContact NH1-OG 3.14Å; R33-D130 PolarHBondContact N-OD2 3.06Å
34G96.9Very high97.5Very high2 Ų228.4 Ų28.42%0.02114%0.14CC..SBendtrans-71.2-13.6172.400000113D130 N169 M170 H171G34-D130 WeakPolarHBondContact CA-OD1 3.47Å; G34-D130 PolarHBondContact N-OD2 2.73Å; G34-N169 CarbonylContact O-C 3.59Å; G34-N169 VanDerWaalsContact O-C 3.27Å; G34-N169 WeakPolarHBondContact O-CA 3.29Å; G34-N169 VanDerWaalsContact O-CB 3.26Å; G34-N169 WeakPolarHBondContact O-CB 3.47Å; G34-M170 PolarHBondContact O-N 2.92Å; G34-H171 PolarHBondContact O-CD2 2.73Å; G34-H171 PolarHBondContact O-N 3.31Å
35Q96.8Very high97.6Very high12 Ų1232.1 Ų32.16%0.05616%0.157CC..SBendtrans-157.5163.3-172.457.175.832.400111.7R33 K37 T40 D130 H171R33-Q35 PolarHBondContact O-N 3.15Å; Q35-K37 PolarHBondContact NE2-O 2.8Å; Q35-K37 VanDerWaalsContact OE1-CA 3.23Å; Q35-K37 PolarHBondContact OE1-O 2.98Å; Q35-T40 PolarHBondContact NE2-OG1 3.43Å; Q35-D130 HydrophobicContact CG-CB 3.53Å; Q35-H171 HydrophobicContact CB-CB 4.41Å
36P96.4Very high97.7Very high93 Ų9332.1 Ų32.160%0.60416%0.157SC*.SBendtrans-79.5-19.4-170.228.7-35.2000116.1I38P36-I38 PolarHBondContact O-N 3.12Å
37K96.5Very high97.7Very high97 Ų9732.1 Ų32.142%0.42216%0.157SC..  trans-88.382.7-177.4-57.8177.4176.8-173.90110.5Q35 G39 G275 N309 L312Q35-K37 PolarHBondContact NE2-O 2.8Å; Q35-K37 VanDerWaalsContact OE1-CA 3.23Å; Q35-K37 PolarHBondContact OE1-O 2.98Å; K37-G39 PolarHBondContact O-N 2.99Å; K37-G275 WeakPolarHBondContact CE-O 3.44Å; K37-G275 PolarHBondContact NZ-O 2.96Å; K37-N309 PolarHBondContact O-ND2 3.28Å; K37-L312 HydrophobicContact CD-CD1 3.75Å; K37-L312 HydrophobicContact CD-CD2 4.34Å
38I95.7Very high97.7Very high104 Ų10434.4 Ų34.453%0.53317%0.166SC..G310 helixtrans-53.5-14.4-165.965.3171000118.1N32 P36 T40 Y41 L311N32-I38 WeakPolarHBondContact CB-O 3Å; N32-I38 PolarHBondContact ND2-O 2.82Å; P36-I38 PolarHBondContact O-N 3.12Å; I38-T40 PolarHBondContact O-N 3.43Å; I38-T40 VanDerWaalsContact O-N 3.16Å; I38-Y41 WeakPolarHBondContact O-CD1 3.24Å; I38-L311 HydrophobicContact CG1-CD1 4.39Å
39G97.6Very high97.6Very high1 Ų141.5 Ų41.51%0.0120%0.197CC..G310 helixtrans-70.1-7.3-170.600000116.3K37 Y41 Q42 N309 L311K37-G39 PolarHBondContact O-N 2.99Å; G39-Y41 PolarHBondContact O-N 2.96Å; G39-Q42 WeakPolarHBondContact O-CB 3.12Å; G39-Q42 PolarHBondContact O-N 3.5Å; G39-Q42 VanDerWaalsContact O-N 3.1Å; G39-N309 WeakPolarHBondContact CA-OD1 3.38Å; G39-L311 VanDerWaalsContact CA-CD1 3.49Å
40T98Very high97.6Very high0 Ų042.7 Ų42.70%021%0.205CC..G310 helixtrans-59.7-29.2179.553.40000113.3T31 N32 Q35 I38 Q42 G43 G129 D130 E307 L308 N309T31-T40 PolarHBondContact O-OG1 3.36Å; N32-T40 WeakPolarHBondContact CA-OG1 3.43Å; Q35-T40 PolarHBondContact NE2-OG1 3.43Å; I38-T40 PolarHBondContact O-N 3.43Å; I38-T40 VanDerWaalsContact O-N 3.16Å; T40-Q42 PolarHBondContact O-N 3.43Å; T40-G43 PolarHBondContact O-N 2.97Å; T40-G129 WeakPolarHBondContact O-CA 3.29Å; T40-D130 HydrophobicContact CG2-CB 4.35Å; T40-E307 WeakPolarHBondContact CG2-OE2 3.2Å; T40-L308 WeakPolarHBondContact CA-O 3.5Å; T40-N309 HydrophobicContact CG2-CB 4.19Å
41Y97.9Very high97.5Very high103 Ų10345.6 Ų45.640%0.40422%0.219SC..G310 helixtrans-56.9-19.1175.682-74.5000113.9P30 T31 I38 G39 G43 P44P30-Y41 WeakPolarHBondContact CB-O 3.35Å; P30-Y41 VanDerWaalsContact O-CB 3.3Å; P30-Y41 WeakPolarHBondContact O-CB 3.27Å; T31-Y41 PolarHBondContact O-N 3.31Å; I38-Y41 WeakPolarHBondContact O-CD1 3.24Å; G39-Y41 PolarHBondContact O-N 2.96Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; Y41-P44 WeakPolarHBondContact O-CD 3.44Å
42Q98.4Very high97.5Very high55 Ų5545.2 Ų45.226%0.25722%0.217SC..G310 helixtrans-84.6-6.3178-59.8-172.823.300113.3G39 T40 E45 L46 P310G39-Q42 WeakPolarHBondContact O-CB 3.12Å; G39-Q42 PolarHBondContact O-N 3.5Å; G39-Q42 VanDerWaalsContact O-N 3.1Å; T40-Q42 PolarHBondContact O-N 3.43Å; Q42-E45 PolarHBondContact O-N 3.29Å; Q42-L46 WeakPolarHBondContact O-CB 3.19Å; Q42-L46 PolarHBondContact O-N 3.14Å; Q42-P310 HydrophobicContact CB-CG 3.45Å; Q42-P310 VanDerWaalsContact CB-CG 3.45Å; Q42-P310 HydrophobicContact CG-CG 4.29Å
43G98.5Very high97.6Very high0 Ų046.7 Ų46.70%022%0.222CC..Hα-helixtrans-50.5-50.5178.900000114.2T40 Y41 E45 L46 I47 V127T40-G43 PolarHBondContact O-N 2.97Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; G43-E45 PolarHBondContact O-N 3.04Å; G43-L46 WeakPolarHBondContact O-CB 3.22Å; G43-L46 PolarHBondContact O-N 3.49Å; G43-I47 PolarHBondContact O-N 3.45Å; G43-I47 VanDerWaalsContact O-N 3.13Å; G43-V127 WeakPolarHBondContact O-CG1 2.9Å
44P98.7Very high97.7Very high0 Ų049.7 Ų49.70%024%0.239CC..Hα-helixtrans-60-46.8178.9-22.333.1000112.3P30 Y41 L46 I47 R48 V127 G128P30-P44 HydrophobicContact CB-CG 4.16Å; Y41-P44 WeakPolarHBondContact O-CD 3.44Å; P44-L46 VanDerWaalsContact C-N 3.32Å; P44-L46 PolarHBondContact O-N 3.08Å; P44-I47 PolarHBondContact O-N 2.77Å; P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 3.41Å; P44-V127 WeakPolarHBondContact CG-O 3.46Å; P44-G128 WeakPolarHBondContact CD-O 3.28Å
45E98.3Very high97.6Very high78 Ų7850.4 Ų50.436%0.36424%0.242SC..Hα-helixtrans-66.8-34.3179.8-176.362.9-174.600112.2Q42 G43 I47 R48 K49Q42-E45 PolarHBondContact O-N 3.29Å; G43-E45 PolarHBondContact O-N 3.04Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; E45-R48 PolarHBondContact O-N 3.38Å; E45-K49 HydrophobicContact CG-CD 4.15Å; E45-K49 VanDerWaalsContact CG-NZ 3.35Å; E45-K49 WeakPolarHBondContact O-CB 3.37Å; E45-K49 WeakPolarHBondContact O-CG 3.23Å; E45-K49 PolarHBondContact O-N 3.34Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å; E45-K49 IonicContact OE1-NZ 3.22Å; E45-K49 PolarHBondContact OE1-NZ 3.43Å
46L98.4Very high97.6Very high21 Ų2149.9 Ų49.911%0.1124%0.239CC..Hα-helixtrans-60.3-44.1174-176.967.9000110.5Q42 G43 P44 S50 L308 P310 V318 Q322Q42-L46 WeakPolarHBondContact O-CB 3.19Å; Q42-L46 PolarHBondContact O-N 3.14Å; G43-L46 WeakPolarHBondContact O-CB 3.22Å; G43-L46 PolarHBondContact O-N 3.49Å; P44-L46 VanDerWaalsContact C-N 3.32Å; P44-L46 PolarHBondContact O-N 3.08Å; L46-S50 PolarHBondContact O-N 3.26Å; L46-L308 HydrophobicContact CD2-CB 4.32Å; L46-P310 HydrophobicContact CD1-CB 4.27Å; L46-P310 HydrophobicContact CD2-CB 4.3Å; L46-P310 HydrophobicContact CD2-CG 4.5Å; L46-V318 HydrophobicContact CD1-CG1 3.89Å; L46-Q322 HydrophobicContact CD1-CB 4.31Å; L46-Q322 HydrophobicContact CD1-CG 4.24Å; L46-Q322 HydrophobicContact CD2-CB 4.31Å; L46-Q322 HydrophobicContact CG-CB 4.23Å; L46-Q322 HydrophobicContact CG-CG 4.06Å; L46-Q322 PolarHBondContact O-NE2 3.34Å
47I98.7Very high97.5Very high0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-72.2-40.2177-62-57.2000111.8F26 G43 P44 E45 K49 S50 F52 V127 L308 A325 V326 L329F26-I47 HydrophobicContact CE2-CG2 3.92Å; F26-I47 HydrophobicContact CZ-CB 4.4Å; F26-I47 HydrophobicContact CZ-CG2 4.14Å; G43-I47 PolarHBondContact O-N 3.45Å; G43-I47 VanDerWaalsContact O-N 3.13Å; P44-I47 PolarHBondContact O-N 2.77Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.37Å; I47-K49 VanDerWaalsContact C-N 3.29Å; I47-K49 PolarHBondContact O-N 2.74Å; I47-S50 VanDerWaalsContact O-CB 3.3Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.25Å; I47-S50 PolarHBondContact O-OG 3.42Å; I47-F52 HydrophobicContact CG2-CB 3.97Å; I47-F52 HydrophobicContact CG2-CD1 3.74Å; I47-F52 HydrophobicContact CG2-CG 4Å; I47-V127 HydrophobicContact CB-CG1 4.24Å; I47-V127 HydrophobicContact CB-CG2 4.22Å; I47-V127 HydrophobicContact CG1-CB 4.5Å; I47-V127 HydrophobicContact CG1-CG1 3.7Å; I47-V127 HydrophobicContact CG1-CG2 4.06Å; I47-V127 HydrophobicContact CG2-CG2 4.2Å; I47-L308 HydrophobicContact CD1-CD1 3.83Å; I47-L308 HydrophobicContact CG1-CD1 3.77Å; I47-A325 HydrophobicContact CD1-CB 3.77Å; I47-V326 HydrophobicContact CD1-CG2 4.13Å; I47-L329 HydrophobicContact CD1-CD1 4.46Å; I47-L329 HydrophobicContact CG1-CD1 4.39Å; I47-L329 HydrophobicContact CG2-CD1 4.04Å
48R98.4Very high97.3Very high49 Ų4949.4 Ų49.419%0.18524%0.241CC..Hα-helixtrans-60-37.3175.6-74.1-168.7-178.895.11.2113.2F26 P44 E45 S50 F53 D65 G67 D68F26-R48 HydrophobicContact CE1-CG 4.05Å; F26-R48 HydrophobicContact CZ-CG 4.38Å; P44-R48 WeakPolarHBondContact O-CG 3.43Å; P44-R48 PolarHBondContact O-N 3.41Å; E45-R48 PolarHBondContact O-N 3.38Å; R48-S50 PolarHBondContact O-N 2.81Å; R48-F53 HydrophobicContact CG-CE2 4.12Å; R48-D65 WeakPolarHBondContact CD-OD2 3.32Å; R48-D65 IonicContact CZ-OD1 2.76Å; R48-D65 IonicContact CZ-OD2 2.68Å; R48-D65 IonicContact NE-OD1 3.75Å; R48-D65 PolarHBondContact NE-OD1 2.9Å; R48-D65 IonicContact NE-OD2 3.59Å; R48-D65 PolarHBondContact NE-OD2 2.87Å; R48-D65 IonicContact NH2-OD1 2.73Å; R48-D65 PolarHBondContact NH2-OD1 3.41Å; R48-D65 IonicContact NH2-OD2 3.41Å; R48-G67 VanDerWaalsContact NH2-C 3.31Å; R48-G67 PolarHBondContact NH2-O 3.05Å; R48-G67 VanDerWaalsContact NH2-O 3.08Å; R48-D68 IonicContact CZ-OD1 2.76Å; R48-D68 VanDerWaalsContact NH1-CG 3.31Å; R48-D68 IonicContact NH1-OD1 3.81Å; R48-D68 PolarHBondContact NH1-OD1 3.2Å; R48-D68 IonicContact NH1-OD2 3.58Å; R48-D68 PolarHBondContact NH1-OD2 3.19Å; R48-D68 IonicContact NH2-OD1 3.64Å; R48-D68 PolarHBondContact NH2-OD1 2.89Å
49K97.7Very high97Very high150 Ų15046.1 Ų46.165%0.65223%0.225SC*.THydrogen-bonded Turntrans-77.1-6.6176.8-75.7178.3171136.10114.4E45 I47E45-K49 HydrophobicContact CG-CD 4.15Å; E45-K49 VanDerWaalsContact CG-NZ 3.35Å; E45-K49 WeakPolarHBondContact O-CB 3.37Å; E45-K49 WeakPolarHBondContact O-CG 3.23Å; E45-K49 PolarHBondContact O-N 3.34Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å; E45-K49 IonicContact OE1-NZ 3.22Å; E45-K49 PolarHBondContact OE1-NZ 3.43Å; I47-K49 VanDerWaalsContact C-N 3.29Å; I47-K49 PolarHBondContact O-N 2.74Å
50S98Very high96.7Very high24 Ų2448.2 Ų48.217%0.16825%0.247CC..THydrogen-bonded Turntrans-81.8-172.8175.481.20000111.6L46 I47 R48 F52 V326L46-S50 PolarHBondContact O-N 3.26Å; I47-S50 VanDerWaalsContact O-CB 3.3Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.25Å; I47-S50 PolarHBondContact O-OG 3.42Å; R48-S50 PolarHBondContact O-N 2.81Å; S50-F52 VanDerWaalsContact C-N 3.33Å; S50-F52 WeakPolarHBondContact OG-CB 3.29Å; S50-F52 PolarHBondContact OG-N 3.23Å; S50-V326 WeakPolarHBondContact OG-CG2 3.49Å
51N97.2Very high96.4Very high80 Ų8048.5 Ų48.543%0.42825%0.248SC..THydrogen-bonded Turntrans-88.410.7170.562.6-9.6000113.6F53 Q54 L55N51-F53 PolarHBondContact O-N 2.94Å; N51-Q54 WeakPolarHBondContact O-CB 3.35Å; N51-Q54 PolarHBondContact O-N 3.12Å; N51-Q54 VanDerWaalsContact O-N 3.16Å; N51-L55 HydrophobicContact CB-CG 4.41Å; N51-L55 WeakPolarHBondContact O-CG 3.43Å; N51-L55 PolarHBondContact O-N 3.32Å
52F98.3Very high96.2Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-52.4-54.1-176176.9-120.9000113.8F26 I47 S50 Q54 L55 V56 L63 V125 V326 L329 L333F26-F52 HydrophobicContact CD2-CD1 4.37Å; F26-F52 AromaticContact CD2-CE1 3.8Å; F26-F52 HydrophobicContact CD2-CE1 3.8Å; F26-F52 HydrophobicContact CE2-CD1 4.22Å; F26-F52 AromaticContact CE2-CE1 3.97Å; F26-F52 HydrophobicContact CE2-CE1 3.97Å; I47-F52 HydrophobicContact CG2-CB 3.97Å; I47-F52 HydrophobicContact CG2-CD1 3.74Å; I47-F52 HydrophobicContact CG2-CG 4Å; S50-F52 VanDerWaalsContact C-N 3.33Å; S50-F52 WeakPolarHBondContact OG-CB 3.29Å; S50-F52 PolarHBondContact OG-N 3.23Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 2.95Å; F52-L55 PolarHBondContact O-N 3.06Å; F52-V56 HydrophobicContact CD2-CG2 3.81Å; F52-V56 HydrophobicContact CE1-CG2 4.48Å; F52-V56 HydrophobicContact CE2-CG2 3.39Å; F52-V56 HydrophobicContact CG-CG2 4.49Å; F52-V56 HydrophobicContact CZ-CG2 3.79Å; F52-V56 WeakPolarHBondContact O-CG2 3.25Å; F52-V56 PolarHBondContact O-N 2.66Å; F52-L63 HydrophobicContact CD1-CD2 3.89Å; F52-L63 HydrophobicContact CE1-CD2 3.37Å; F52-L63 HydrophobicContact CZ-CD2 4.06Å; F52-V125 HydrophobicContact CE1-CG1 4.45Å; F52-V125 HydrophobicContact CZ-CG1 4.3Å; F52-V326 HydrophobicContact CB-CG1 4.1Å; F52-V326 HydrophobicContact CB-CG2 4.15Å; F52-V326 HydrophobicContact CD2-CG1 4.27Å; F52-L329 HydrophobicContact CD2-CB 4.14Å; F52-L329 HydrophobicContact CE2-CB 3.46Å; F52-L329 VanDerWaalsContact CE2-CB 3.46Å; F52-L329 HydrophobicContact CE2-CD1 4.44Å; F52-L329 HydrophobicContact CZ-CB 3.81Å; F52-L329 HydrophobicContact CZ-CD1 4.36Å; F52-L333 HydrophobicContact CZ-CD1 4.08Å
53F98Very high96.1Very high55 Ų5548.8 Ų48.824%0.24125%0.254CS..Hα-helixtrans-59.7-38.5-179.5-77.9-102.9000112F26 R48 N51 A57 L63 D65F26-F53 HydrophobicContact CB-CE1 4.45Å; F26-F53 HydrophobicContact CB-CZ 4.05Å; F26-F53 HydrophobicContact CD1-CE2 4.44Å; F26-F53 AromaticContact CD1-CZ 3.85Å; F26-F53 HydrophobicContact CD1-CZ 3.85Å; F26-F53 HydrophobicContact CD2-CE2 4.37Å; F26-F53 HydrophobicContact CD2-CZ 4.15Å; F26-F53 HydrophobicContact CE1-CZ 4.33Å; F26-F53 HydrophobicContact CE2-CE2 4.39Å; F26-F53 HydrophobicContact CG-CE2 4.36Å; F26-F53 AromaticContact CG-CZ 3.74Å; F26-F53 HydrophobicContact CG-CZ 3.74Å; F26-F53 HydrophobicContact CZ-CE2 4.48Å; R48-F53 HydrophobicContact CG-CE2 4.12Å; N51-F53 PolarHBondContact O-N 2.94Å; F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 2.93Å; F53-A57 VanDerWaalsContact O-N 3.09Å; F53-L63 HydrophobicContact CD1-CB 4.3Å; F53-L63 HydrophobicContact CD1-CD2 3.61Å; F53-L63 HydrophobicContact CD1-CG 4.1Å; F53-L63 HydrophobicContact CD2-CD2 4.31Å; F53-L63 HydrophobicContact CE1-CB 4.48Å; F53-L63 HydrophobicContact CE1-CD2 3.59Å; F53-L63 HydrophobicContact CE1-CG 3.89Å; F53-L63 HydrophobicContact CE2-CD2 4.29Å; F53-L63 HydrophobicContact CG-CD2 3.98Å; F53-L63 HydrophobicContact CZ-CD2 3.95Å; F53-D65 HydrophobicContact CE1-CB 4.02Å; F53-D65 HydrophobicContact CZ-CB 4.18Å
54Q97.2Very high96Very high120 Ų12051.7 Ų51.756%0.56127%0.272SS*.Hα-helixtrans-65.2-49.7175.9-178.2-170.9-22.800111.1N51 F52 V56 A57 E58N51-Q54 WeakPolarHBondContact O-CB 3.35Å; N51-Q54 PolarHBondContact O-N 3.12Å; N51-Q54 VanDerWaalsContact O-N 3.16Å; F52-Q54 VanDerWaalsContact C-N 3.26Å; F52-Q54 PolarHBondContact O-N 2.95Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.29Å; Q54-A57 PolarHBondContact O-N 3.12Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.44Å; Q54-E58 PolarHBondContact NE2-OE1 2.93Å; Q54-E58 WeakPolarHBondContact O-CG 3.1Å; Q54-E58 PolarHBondContact O-N 3.45Å
55L96Very high96Very high17 Ų1755.1 Ų55.19%0.08929%0.29CS..Hα-helixtrans-61.8-39.4-178.4-69.3177.7000112.4N51 F52 E58 D59 V326N51-L55 HydrophobicContact CB-CG 4.41Å; N51-L55 WeakPolarHBondContact O-CG 3.43Å; N51-L55 PolarHBondContact O-N 3.32Å; F52-L55 PolarHBondContact O-N 3.06Å; L55-E58 WeakPolarHBondContact O-CB 3.47Å; L55-E58 PolarHBondContact O-N 3.24Å; L55-D59 PolarHBondContact O-N 3.06Å; L55-D59 VanDerWaalsContact O-N 3.15Å; L55-V326 HydrophobicContact CD1-CG1 3.75Å
56V95.2Very high96Very high0 Ų052.7 Ų52.70%028%0.281CS..Hα-helixtrans-68-38.3176.9173.40000111.1F52 Q54 D59 G60 I61 L63 L333F52-V56 HydrophobicContact CD2-CG2 3.81Å; F52-V56 HydrophobicContact CE1-CG2 4.48Å; F52-V56 HydrophobicContact CE2-CG2 3.39Å; F52-V56 HydrophobicContact CG-CG2 4.49Å; F52-V56 HydrophobicContact CZ-CG2 3.79Å; F52-V56 WeakPolarHBondContact O-CG2 3.25Å; F52-V56 PolarHBondContact O-N 2.66Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.29Å; V56-D59 PolarHBondContact O-N 3.44Å; V56-G60 PolarHBondContact O-N 3.3Å; V56-I61 HydrophobicContact CG1-CB 3.62Å; V56-I61 HydrophobicContact CG1-CD1 4.46Å; V56-I61 HydrophobicContact CG1-CG2 3.82Å; V56-I61 PolarHBondContact O-N 3Å; V56-I61 VanDerWaalsContact O-N 3.14Å; V56-L63 HydrophobicContact CG1-CB 4.09Å; V56-L333 HydrophobicContact CB-CD1 4.48Å; V56-L333 HydrophobicContact CG1-CD1 3.72Å; V56-L333 HydrophobicContact CG2-CD1 3.8Å
57A94.8Very high96Very high63 Ų6353 Ų5352%0.52129%0.29SS..Hα-helixtrans-66.7-36.4173.600000112.5F53 Q54 D59 G60F53-A57 WeakPolarHBondContact O-CB 3.35Å; F53-A57 PolarHBondContact O-N 2.93Å; F53-A57 VanDerWaalsContact O-N 3.09Å; Q54-A57 PolarHBondContact O-N 3.12Å; A57-D59 VanDerWaalsContact C-N 3.25Å; A57-D59 PolarHBondContact O-N 3.41Å; A57-G60 WeakPolarHBondContact O-CA 3.45Å; A57-G60 PolarHBondContact O-N 3.2Å
58E92.6Very high96Very high117 Ų11756.6 Ų56.655%0.54731%0.309SS..Hα-helixtrans-62.9-31.3172.9-73171-17200112.3Q54 L55 G60Q54-E58 WeakPolarHBondContact CG-OE1 3.44Å; Q54-E58 PolarHBondContact NE2-OE1 2.93Å; Q54-E58 WeakPolarHBondContact O-CG 3.1Å; Q54-E58 PolarHBondContact O-N 3.45Å; L55-E58 WeakPolarHBondContact O-CB 3.47Å; L55-E58 PolarHBondContact O-N 3.24Å; E58-G60 PolarHBondContact O-N 2.94Å
59D90Very high96Very high36 Ų3655 Ų5519%0.19330%0.304CS..THydrogen-bonded Turntrans-77.60.1171.5-65.4-30.4000112.9L19 L55 V56 A57 R330 H335L19-D59 WeakPolarHBondContact CD1-O 3.43Å; L19-D59 WeakPolarHBondContact CD2-O 3.31Å; L55-D59 PolarHBondContact O-N 3.06Å; L55-D59 VanDerWaalsContact O-N 3.15Å; V56-D59 PolarHBondContact O-N 3.44Å; A57-D59 VanDerWaalsContact C-N 3.25Å; A57-D59 PolarHBondContact O-N 3.41Å; D59-R330 VanDerWaalsContact CG-NH2 3.35Å; D59-R330 IonicContact OD1-CZ 3.12Å; D59-R330 IonicContact OD1-NE 3.87Å; D59-R330 IonicContact OD1-NH2 2.95Å; D59-R330 PolarHBondContact OD1-NH2 3.24Å; D59-R330 IonicContact OD2-CZ 2.73Å; D59-R330 IonicContact OD2-NE 3.49Å; D59-R330 PolarHBondContact OD2-NE 3.3Å; D59-R330 IonicContact OD2-NH2 3.66Å; D59-R330 PolarHBondContact OD2-NH2 3.33Å; D59-H335 IonicContact OD1-ND1 3.68Å; D59-H335 PolarHBondContact OD1-ND1 3Å; D59-H335 IonicContact OD2-CG 2.8Å; D59-H335 IonicContact OD2-ND1 3.98Å; D59-H335 PolarHBondContact OD2-ND1 2.92Å
60G90.7Very high95.9Very high45 Ų4554 Ų5446%0.46431%0.305SS..THydrogen-bonded Turntrans82.718.9176.200000114.8V56 A57 E58V56-G60 PolarHBondContact O-N 3.3Å; A57-G60 WeakPolarHBondContact O-CA 3.45Å; A57-G60 PolarHBondContact O-N 3.2Å; E58-G60 PolarHBondContact O-N 2.94Å
61I92.1Very high95.9Very high6 Ų653.9 Ų53.93%0.03130%0.303CS..  trans-103.6125.7-178.5-55.5174.5000109.2A24 V56 L63 L333A24-I61 HydrophobicContact CB-CG2 4.28Å; V56-I61 HydrophobicContact CG1-CB 3.62Å; V56-I61 HydrophobicContact CG1-CD1 4.46Å; V56-I61 HydrophobicContact CG1-CG2 3.82Å; V56-I61 PolarHBondContact O-N 3Å; V56-I61 VanDerWaalsContact O-N 3.14Å; I61-L63 PolarHBondContact O-N 3.4Å; I61-L333 HydrophobicContact CD1-CB 3.84Å; I61-L333 WeakPolarHBondContact CD1-O 3.1Å
62Q93.9Very high95.9Very high137 Ų13750.8 Ų50.864%0.6429%0.287SS*.EExtended strand (participates in β ladder)trans-79107.6172.2-175.5178.5500110.1T22 S23 A24T22-Q62 PolarHBondContact O-N 3.04Å; S23-Q62 CarbonylContact C-O 3.29Å; S23-Q62 WeakPolarHBondContact CA-O 3.27Å; S23-Q62 WeakPolarHBondContact CB-O 3.41Å; A24-Q62 PolarHBondContact N-O 3.42Å
63L95.6Very high95.6Very high26 Ų2656 Ų5614%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-93.9117.5175.4-170.565.5000110.6A24 F26 F52 F53 V56 I61A24-L63 HydrophobicContact CB-CD1 3.73Å; A24-L63 WeakPolarHBondContact O-CA 3.32Å; F26-L63 HydrophobicContact CB-CD1 4Å; F26-L63 HydrophobicContact CB-CD2 4.28Å; F26-L63 HydrophobicContact CB-CG 4.07Å; F26-L63 HydrophobicContact CD2-CD2 4.44Å; F52-L63 HydrophobicContact CD1-CD2 3.89Å; F52-L63 HydrophobicContact CE1-CD2 3.37Å; F52-L63 HydrophobicContact CZ-CD2 4.06Å; F53-L63 HydrophobicContact CD1-CB 4.3Å; F53-L63 HydrophobicContact CD1-CD2 3.61Å; F53-L63 HydrophobicContact CD1-CG 4.1Å; F53-L63 HydrophobicContact CD2-CD2 4.31Å; F53-L63 HydrophobicContact CE1-CB 4.48Å; F53-L63 HydrophobicContact CE1-CD2 3.59Å; F53-L63 HydrophobicContact CE1-CG 3.89Å; F53-L63 HydrophobicContact CE2-CD2 4.29Å; F53-L63 HydrophobicContact CG-CD2 3.98Å; F53-L63 HydrophobicContact CZ-CD2 3.95Å; V56-L63 HydrophobicContact CG1-CB 4.09Å; I61-L63 PolarHBondContact O-N 3.4Å
64T96.9Very high95.5Very high62 Ų6254.5 Ų54.538%0.3831%0.306SS..EExtended strand (participates in β ladder)trans-97.1118.3178.2-56.30000110.1A24 N25 F26 C66A24-T64 PolarHBondContact O-N 3.49Å; N25-T64 CarbonylContact C-O 3.58Å; F26-T64 PolarHBondContact N-O 3.46Å; T64-C66 PolarHBondContact O-N 3Å
65D97.9Very high95.4Very high71 Ų7152.8 Ų52.838%0.3830%0.301SS..EExtended strand (participates in β ladder)trans-76.4116.7174.1-164.1-21.8000110.6R48 F53 G67R48-D65 WeakPolarHBondContact CD-OD2 3.32Å; R48-D65 IonicContact CZ-OD1 2.76Å; R48-D65 IonicContact CZ-OD2 2.68Å; R48-D65 IonicContact NE-OD1 3.75Å; R48-D65 PolarHBondContact NE-OD1 2.9Å; R48-D65 IonicContact NE-OD2 3.59Å; R48-D65 PolarHBondContact NE-OD2 2.87Å; R48-D65 IonicContact NH2-OD1 2.73Å; R48-D65 PolarHBondContact NH2-OD1 3.41Å; R48-D65 IonicContact NH2-OD2 3.41Å; F53-D65 HydrophobicContact CE1-CB 4.02Å; F53-D65 HydrophobicContact CZ-CB 4.18Å; D65-G67 VanDerWaalsContact C-N 3.33Å; D65-G67 PolarHBondContact OD1-N 3.1Å
66C98.1Very high95.3Very high27 Ų2759.3 Ų59.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-92.48.2-179.7-61.50000113.1F26 L27 T64 L105F26-C66 WeakPolarHBondContact O-CA 3.4Å; F26-C66 VanDerWaalsContact O-CB 3.23Å; F26-C66 WeakPolarHBondContact O-CB 3.44Å; F26-C66 PolarHBondContact O-N 2.88Å; L27-C66 HydrophobicContact CD1-CB 4.29Å; T64-C66 PolarHBondContact O-N 3Å; C66-L105 HydrophobicContact CB-CD1 4.07Å; C66-L105 HydrophobicContact CB-CD2 4.2Å
67G98.2Very high95.3Very high29 Ų2963.7 Ų63.730%0.29937%0.367SS..EExtended strand (participates in β ladder)trans77.4-162.4-179.200000113.2G28 R48 D65G28-G67 PolarHBondContact N-O 3.14Å; R48-G67 VanDerWaalsContact NH2-C 3.31Å; R48-G67 PolarHBondContact NH2-O 3.05Å; R48-G67 VanDerWaalsContact NH2-O 3.08Å; D65-G67 VanDerWaalsContact C-N 3.33Å; D65-G67 PolarHBondContact OD1-N 3.1Å
68D98.6Very high95.3Very high75 Ų7564.9 Ų64.940%0.40136%0.362SS..EExtended strand (participates in β ladder)trans-110.7142.9178.7-68.8-15.9000111.4G28 P30 R48G28-D68 WeakPolarHBondContact CA-OD1 3.47Å; G28-D68 CarbonylContact O-C 3.3Å; G28-D68 VanDerWaalsContact O-CA 3.3Å; G28-D68 WeakPolarHBondContact O-CA 3.44Å; P30-D68 HydrophobicContact CG-CB 4.4Å; R48-D68 IonicContact CZ-OD1 2.76Å; R48-D68 VanDerWaalsContact NH1-CG 3.31Å; R48-D68 IonicContact NH1-OD1 3.81Å; R48-D68 PolarHBondContact NH1-OD1 3.2Å; R48-D68 IonicContact NH1-OD2 3.58Å; R48-D68 PolarHBondContact NH1-OD2 3.19Å; R48-D68 IonicContact NH2-OD1 3.64Å; R48-D68 PolarHBondContact NH2-OD1 2.89Å
69I98.1Very high95.5Very high14 Ų1459.6 Ų59.67%0.07234%0.337CS..  trans-73.4139.8162.4-59.4-169.3000108.2L27 G28 I29 P30 P71 R97 I98 R101L27-I69 HydrophobicContact CD1-CD1 4.44Å; L27-I69 HydrophobicContact CD1-CG1 4Å; L27-I69 HydrophobicContact CD2-CD1 4.04Å; L27-I69 HydrophobicContact CD2-CG1 4.45Å; L27-I69 HydrophobicContact CG-CG1 4.45Å; G28-I69 PolarHBondContact O-N 3.43Å; I29-I69 HydrophobicContact CD1-CD1 4.29Å; I29-I69 HydrophobicContact CG1-CD1 4.16Å; I29-I69 HydrophobicContact CG1-CG1 4.37Å; P30-I69 WeakPolarHBondContact CD-O 3.45Å; I69-P71 VanDerWaalsContact O-CD 3.26Å; I69-P71 WeakPolarHBondContact O-CD 2.95Å; I69-R97 HydrophobicContact CG2-CB 4.39Å; I69-I98 HydrophobicContact CD1-CB 4.2Å; I69-I98 HydrophobicContact CD1-CG1 3.95Å; I69-I98 HydrophobicContact CD1-CG2 4.39Å; I69-I98 HydrophobicContact CG2-CG1 4.3Å; I69-R101 HydrophobicContact CD1-CB 3.73Å; I69-R101 HydrophobicContact CD1-CG 3.89Å; I69-R101 HydrophobicContact CG1-CB 4.42Å; I69-R101 HydrophobicContact CG1-CG 4.18Å
70I97.1Very high95.7Very high131 Ų13161.5 Ų61.567%0.67235%0.351SS*.  trans-91.6108.5172.9-58.6173.3000108.2R97I70-R97 PolarHBondContact O-NH1 3.49Å
71P96.8Very high95.8Very high21 Ų2165.3 Ų65.314%0.13636%0.357CS..  trans-61155.4176.5-20.634.5000111.5P30 T31 I69 T94P30-P71 HydrophobicContact CG-CG 4.23Å; P30-P71 WeakPolarHBondContact O-CG 3.36Å; T31-P71 HydrophobicContact CG2-CG 4.37Å; I69-P71 VanDerWaalsContact O-CD 3.26Å; I69-P71 WeakPolarHBondContact O-CD 2.95Å; P71-T94 HydrophobicContact CB-CG2 3.98Å
72V96.7Very high96Very high15 Ų1567.5 Ų67.59%0.09137%0.365CS..  trans-86.4119.2171.1-179.70000108.7L74 S90 L93 T94 R97V72-L74 HydrophobicContact CG1-CD2 3.93Å; V72-L74 HydrophobicContact CG1-CG 3.96Å; V72-S90 VanDerWaalsContact O-CB 3.25Å; V72-S90 WeakPolarHBondContact O-CB 3.29Å; V72-L93 HydrophobicContact CB-CB 3.95Å; V72-L93 HydrophobicContact CG1-CB 4.05Å; V72-L93 HydrophobicContact CG1-CD1 3.87Å; V72-L93 HydrophobicContact CG2-CB 3.76Å; V72-T94 PolarHBondContact N-OG1 2.99Å; V72-R97 VanDerWaalsContact CG2-NH1 3.34Å
73E92.9Very high96Very high108 Ų10866.1 Ų66.151%0.50536%0.357SS..  trans-12086.2-176.8-69.9-166.6172.400110.7R33R33-E73 VanDerWaalsContact CZ-CA 3.4Å
74L95.8Very high95.8Very high25 Ų2566.5 Ų66.513%0.13137%0.368CS..  trans-76158.5179.3-60.9-178.8000112.3R33 V72 E78 D79 W87 R89 S90 L93R33-L74 PolarHBondContact NH1-O 2.94Å; R33-L74 PolarHBondContact NH2-O 3.3Å; V72-L74 HydrophobicContact CG1-CD2 3.93Å; V72-L74 HydrophobicContact CG1-CG 3.96Å; L74-E78 HydrophobicContact CB-CB 3.86Å; L74-E78 HydrophobicContact CD1-CB 4.38Å; L74-E78 HydrophobicContact CD2-CB 4.42Å; L74-E78 HydrophobicContact CG-CB 4.44Å; L74-D79 HydrophobicContact CB-CB 3.87Å; L74-D79 HydrophobicContact CD1-CB 4.05Å; L74-W87 WeakPolarHBondContact O-CZ3 3.49Å; L74-R89 HydrophobicContact CD1-CB 3.89Å; L74-R89 HydrophobicContact CD1-CG 3.64Å; L74-S90 PolarHBondContact N-OG 3.13Å; L74-L93 HydrophobicContact CD1-CD1 4.28Å
75N95.4Very high95.8Very high84 Ų8463.6 Ų63.645%0.44935%0.35SS..  trans-82.2168.4169.17063.6000111.5A77 E78 D79N75-A77 PolarHBondContact O-N 2.94Å; N75-A77 WeakPolarHBondContact OD1-CA 3.37Å; N75-A77 VanDerWaalsContact OD1-CB 3.28Å; N75-A77 WeakPolarHBondContact OD1-CB 3.37Å; N75-A77 PolarHBondContact OD1-N 3.19Å; N75-E78 VanDerWaalsContact CG-OE2 3.28Å; N75-E78 PolarHBondContact N-OE2 3.36Å; N75-E78 PolarHBondContact ND2-OE2 3.34Å; N75-E78 PolarHBondContact O-N 3.17Å; N75-E78 PolarHBondContact OD1-N 3.41Å; N75-D79 PolarHBondContact O-N 3.16Å; N75-D79 VanDerWaalsContact O-N 3.09Å
76E92.6Very high95.8Very high153 Ų15364 Ų6472%0.71535%0.348SS*.THydrogen-bonded Turntrans-58.4-29.9-177.7-67.2-176.9172.700113.7E78 D79 W87E76-E78 VanDerWaalsContact C-N 3.34Å; E76-D79 CarbonylContact O-C 3.49Å; E76-W87 HydrophobicContact CG-CH2 3.64Å; E76-W87 HydrophobicContact CG-CZ2 4.35Å; E76-W87 HydrophobicContact CG-CZ3 4.36Å
77A95.6Very high95.7Very high92 Ų9265.9 Ų65.976%0.7635%0.351SS*.THydrogen-bonded Turntrans-74.8-27177.300000112.3N75N75-A77 PolarHBondContact O-N 2.94Å; N75-A77 WeakPolarHBondContact OD1-CA 3.37Å; N75-A77 VanDerWaalsContact OD1-CB 3.28Å; N75-A77 WeakPolarHBondContact OD1-CB 3.37Å; N75-A77 PolarHBondContact OD1-N 3.19Å
78E95.9Very high95.6Very high89 Ų8964.5 Ų64.542%0.41634%0.337SS..THydrogen-bonded Turntrans-86.2-21.1178.8-69.2174.5133.500113.3L74 N75 E76 R89L74-E78 HydrophobicContact CB-CB 3.86Å; L74-E78 HydrophobicContact CD1-CB 4.38Å; L74-E78 HydrophobicContact CD2-CB 4.42Å; L74-E78 HydrophobicContact CG-CB 4.44Å; N75-E78 VanDerWaalsContact CG-OE2 3.28Å; N75-E78 PolarHBondContact N-OE2 3.36Å; N75-E78 PolarHBondContact ND2-OE2 3.34Å; N75-E78 PolarHBondContact O-N 3.17Å; N75-E78 PolarHBondContact OD1-N 3.41Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E78-R89 WeakPolarHBondContact O-CD 3.33Å; E78-R89 PolarHBondContact O-NH1 2.63Å
79D96.1Very high95.6Very high6 Ų666.2 Ų66.23%0.03234%0.338CS..SBendtrans-137.263.9-176.2-164.5-2.4000111.9L74 N75 E76 W87 S88 R89 S90L74-D79 HydrophobicContact CB-CB 3.87Å; L74-D79 HydrophobicContact CD1-CB 4.05Å; N75-D79 PolarHBondContact O-N 3.16Å; N75-D79 VanDerWaalsContact O-N 3.09Å; E76-D79 CarbonylContact O-C 3.49Å; D79-W87 HydrophobicContact CB-CE3 4.06Å; D79-W87 HydrophobicContact CB-CZ3 4.39Å; D79-W87 WeakPolarHBondContact OD2-CA 3.47Å; D79-S88 PolarHBondContact OD1-N 2.89Å; D79-R89 HydrophobicContact CB-CB 4.26Å; D79-R89 VanDerWaalsContact OD1-CB 3.28Å; D79-R89 WeakPolarHBondContact OD1-CB 3.39Å; D79-R89 PolarHBondContact OD1-N 3.02Å; D79-R89 PolarHBondContact OD2-N 2.87Å; D79-S90 VanDerWaalsContact OD2-CB 3.24Å; D79-S90 WeakPolarHBondContact OD2-CB 3.34Å; D79-S90 PolarHBondContact OD2-N 3.18Å; D79-S90 PolarHBondContact OD2-OG 3.16Å
80P94.2Very high95.5Very high75 Ų7565.6 Ų65.649%0.48734%0.335SS..  trans-64.5151.3175.229.3-35.6000110.7R82P80-R82 PolarHBondContact O-N 3.12Å
81Q94.1Very high95.6Very high125 Ų12560 Ų6058%0.58431%0.306SS*.  trans-60.2127.6177.8-163.1177.9-3.900110.9G84 M85Q81-G84 VanDerWaalsContact NE2-C 3.34Å; Q81-G84 PolarHBondContact NE2-O 2.83Å; Q81-M85 WeakPolarHBondContact CA-O 3.4Å; Q81-M85 WeakPolarHBondContact CG-O 3.47Å
82R94.6Very high95.6Very high52 Ų5259 Ų5920%0.19630%0.299CS..BIsolated β-bridgetrans-125.5128.4178.8-67.8178.7-64.6167.95109.3P80 G84 M85 S88 L189 D191P80-R82 PolarHBondContact O-N 3.12Å; R82-G84 PolarHBondContact O-N 2.91Å; R82-M85 PolarHBondContact N-O 3.11Å; R82-M85 WeakPolarHBondContact O-CB 3.44Å; R82-M85 WeakPolarHBondContact O-CE 3.38Å; R82-M85 PolarHBondContact O-N 3.19Å; R82-S88 PolarHBondContact NE-OG 2.86Å; R82-S88 VanDerWaalsContact NE-OG 3.17Å; R82-S88 PolarHBondContact NH2-OG 2.99Å; R82-L189 HydrophobicContact CB-CD1 4.45Å; R82-D191 IonicContact CZ-OD1 3.46Å; R82-D191 VanDerWaalsContact CZ-OD1 3.32Å; R82-D191 IonicContact CZ-OD2 2.64Å; R82-D191 IonicContact NH1-OD1 2.82Å; R82-D191 PolarHBondContact NH1-OD1 2.83Å; R82-D191 IonicContact NH1-OD2 3.15Å; R82-D191 VanDerWaalsContact NH2-CG 3.27Å; R82-D191 IonicContact NH2-OD1 3.79Å; R82-D191 PolarHBondContact NH2-OD1 3.29Å; R82-D191 IonicContact NH2-OD2 3.14Å; R82-D191 PolarHBondContact NH2-OD2 2.95Å
83F94.5Very high95.7Very high108 Ų10861.2 Ų61.247%0.47431%0.31SS..THydrogen-bonded Turntrans49.840.9-176.7-53.9-81.7000113.4M85 P162 L163 P187 L189F83-M85 HydrophobicContact CB-CE 4.23Å; F83-M85 HydrophobicContact CD2-CE 4.34Å; F83-M85 PolarHBondContact O-N 2.87Å; F83-M85 VanDerWaalsContact O-N 3.09Å; F83-P162 HydrophobicContact CB-CB 4.44Å; F83-L163 HydrophobicContact CD1-CD2 4.39Å; F83-P187 HydrophobicContact CB-CG 4.04Å; F83-P187 HydrophobicContact CD1-CB 3.95Å; F83-P187 HydrophobicContact CD1-CG 4.27Å; F83-P187 HydrophobicContact CD2-CB 3.66Å; F83-P187 HydrophobicContact CD2-CG 3.65Å; F83-P187 HydrophobicContact CE1-CB 3.92Å; F83-P187 HydrophobicContact CE2-CB 3.62Å; F83-P187 HydrophobicContact CE2-CG 4.12Å; F83-P187 HydrophobicContact CG-CB 3.82Å; F83-P187 HydrophobicContact CG-CG 3.73Å; F83-P187 HydrophobicContact CZ-CB 3.75Å; F83-L189 HydrophobicContact CD2-CD1 4.29Å; F83-L189 HydrophobicContact CD2-CD2 4.3Å; F83-L189 HydrophobicContact CD2-CG 4.42Å; F83-L189 HydrophobicContact CE2-CD1 4.45Å; F83-L189 HydrophobicContact CE2-CD2 3.71Å; F83-L189 HydrophobicContact CE2-CG 4.1Å
84G91.8Very high95.9Very high35 Ų3556.5 Ų56.536%0.36129%0.289SS..THydrogen-bonded Turntrans76.7-15.4-178.200000115.3Q81 R82 K86 G168Q81-G84 VanDerWaalsContact NE2-C 3.34Å; Q81-G84 PolarHBondContact NE2-O 2.83Å; R82-G84 PolarHBondContact O-N 2.91Å; G84-K86 PolarHBondContact O-N 3.29Å; G84-G168 WeakPolarHBondContact O-CA 3.24Å
85M96.9Very high96.1Very high0 Ų055.4 Ų55.40%028%0.283CS..BIsolated β-bridgetrans-72.3125.4178.4-65.8177.5-7100112.2Q81 R82 F83 P162 M170 M173 F177 P187 L189 F192Q81-M85 WeakPolarHBondContact CA-O 3.4Å; Q81-M85 WeakPolarHBondContact CG-O 3.47Å; R82-M85 PolarHBondContact N-O 3.11Å; R82-M85 WeakPolarHBondContact O-CB 3.44Å; R82-M85 WeakPolarHBondContact O-CE 3.38Å; R82-M85 PolarHBondContact O-N 3.19Å; F83-M85 HydrophobicContact CB-CE 4.23Å; F83-M85 HydrophobicContact CD2-CE 4.34Å; F83-M85 PolarHBondContact O-N 2.87Å; F83-M85 VanDerWaalsContact O-N 3.09Å; M85-P162 HydrophobicContact CE-CB 3.97Å; M85-P162 HydrophobicContact CE-CG 4.08Å; M85-P162 HydrophobicContact CG-CB 3.71Å; M85-P162 HydrophobicContact CG-CG 3.97Å; M85-P162 HydrophobicContact SD-CB 3.64Å; M85-P162 HydrophobicContact SD-CG 3.35Å; M85-P162 WeakPolarHBondContact SD-CG 3.34Å; M85-M170 HydrophobicContact CB-SD 3.64Å; M85-M170 HydrophobicContact CG-CE 4.34Å; M85-M170 HydrophobicContact CG-SD 3.78Å; M85-M170 HydrophobicContact SD-CE 3.87Å; M85-M170 HydrophobicContact SD-SD 4.1Å; M85-M173 HydrophobicContact CG-CE 4.36Å; M85-M173 HydrophobicContact CG-SD 4.19Å; M85-F177 HydrophobicContact SD-CE1 4.46Å; M85-F177 HydrophobicContact SD-CZ 3.9Å; M85-P187 HydrophobicContact CE-CG 4.34Å; M85-L189 HydrophobicContact CE-CD1 3.7Å; M85-F192 HydrophobicContact CE-CE2 3.82Å; M85-F192 HydrophobicContact CE-CZ 4.21Å; M85-F192 HydrophobicContact SD-CE2 3.9Å; M85-F192 HydrophobicContact SD-CZ 3.93Å
86K96.8Very high96.2Very high79 Ų7954.2 Ų54.234%0.34328%0.277SS..THydrogen-bonded Turntrans-82.6141170.4-60.8173.7-169.3157.90109.4G84 S88 S167 G168 N169 M170G84-K86 PolarHBondContact O-N 3.29Å; K86-S88 PolarHBondContact O-N 2.93Å; K86-S88 VanDerWaalsContact O-N 3.09Å; K86-S167 WeakPolarHBondContact CE-O 3.35Å; K86-S167 PolarHBondContact NZ-O 3.16Å; K86-G168 PolarHBondContact N-O 2.98Å; K86-N169 PolarHBondContact NZ-OD1 2.74Å; K86-M170 WeakPolarHBondContact O-CG 3.46Å
87W97Very high96.5Very high67 Ų6752.6 Ų52.625%0.25426%0.264SS..THydrogen-bonded Turntrans5430.4175.5-53115.4000114.7R33 L74 E76 D79 R89 S90 F91R33-W87 HydrophobicContact CB-CB 4.15Å; R33-W87 HydrophobicContact CB-CG 4.12Å; R33-W87 VanDerWaalsContact NH1-CZ3 3.3Å; R33-W87 VanDerWaalsContact O-CD1 3.31Å; L74-W87 WeakPolarHBondContact O-CZ3 3.49Å; E76-W87 HydrophobicContact CG-CH2 3.64Å; E76-W87 HydrophobicContact CG-CZ2 4.35Å; E76-W87 HydrophobicContact CG-CZ3 4.36Å; D79-W87 HydrophobicContact CB-CE3 4.06Å; D79-W87 HydrophobicContact CB-CZ3 4.39Å; D79-W87 WeakPolarHBondContact OD2-CA 3.47Å; W87-R89 PolarHBondContact O-N 3.49Å; W87-S90 WeakPolarHBondContact O-CB 3.33Å; W87-S90 PolarHBondContact O-N 3.39Å; W87-F91 WeakPolarHBondContact O-CB 3.27Å; W87-F91 PolarHBondContact O-N 3.07Å
88S97.1Very high96.6Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-56.5-35.8-173.7610000113.4D79 R82 K86 S92D79-S88 PolarHBondContact OD1-N 2.89Å; R82-S88 PolarHBondContact NE-OG 2.86Å; R82-S88 VanDerWaalsContact NE-OG 3.17Å; R82-S88 PolarHBondContact NH2-OG 2.99Å; K86-S88 PolarHBondContact O-N 2.93Å; K86-S88 VanDerWaalsContact O-N 3.09Å; S88-S92 PolarHBondContact O-N 2.88Å
89R97Very high96.7Very high111 Ų11144.4 Ų44.442%0.41921%0.212SC..Hα-helixtrans-81.1-36.7-179-168.3180-179.4-1693.6112.4L74 E78 D79 W87 F91 S92 L93 D191L74-R89 HydrophobicContact CD1-CB 3.89Å; L74-R89 HydrophobicContact CD1-CG 3.64Å; E78-R89 WeakPolarHBondContact O-CD 3.33Å; E78-R89 PolarHBondContact O-NH1 2.63Å; D79-R89 HydrophobicContact CB-CB 4.26Å; D79-R89 VanDerWaalsContact OD1-CB 3.28Å; D79-R89 WeakPolarHBondContact OD1-CB 3.39Å; D79-R89 PolarHBondContact OD1-N 3.02Å; D79-R89 PolarHBondContact OD2-N 2.87Å; W87-R89 PolarHBondContact O-N 3.49Å; R89-F91 VanDerWaalsContact C-N 3.29Å; R89-S92 WeakPolarHBondContact CA-OG 3.47Å; R89-S92 PolarHBondContact O-N 2.87Å; R89-S92 PolarHBondContact O-OG 3.06Å; R89-L93 HydrophobicContact CG-CD1 4.12Å; R89-L93 WeakPolarHBondContact O-CB 3.29Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.34Å; R89-L93 PolarHBondContact O-N 3.29Å; R89-L93 VanDerWaalsContact O-N 3.12Å; R89-D191 WeakPolarHBondContact CA-OD2 3.46Å
90S97.5Very high96.8Very high2 Ų250.8 Ų50.81%0.01424%0.241CC..Hα-helixtrans-60.3-44.1170-58.70000110R33 V72 L74 D79 W87 T94R33-S90 PolarHBondContact NH1-OG 2.81Å; R33-S90 VanDerWaalsContact NH1-OG 3.14Å; V72-S90 VanDerWaalsContact O-CB 3.25Å; V72-S90 WeakPolarHBondContact O-CB 3.29Å; L74-S90 PolarHBondContact N-OG 3.13Å; D79-S90 VanDerWaalsContact OD2-CB 3.24Å; D79-S90 WeakPolarHBondContact OD2-CB 3.34Å; D79-S90 PolarHBondContact OD2-N 3.18Å; D79-S90 PolarHBondContact OD2-OG 3.16Å; W87-S90 WeakPolarHBondContact O-CB 3.33Å; W87-S90 PolarHBondContact O-N 3.39Å; S90-T94 WeakPolarHBondContact O-CB 3.47Å; S90-T94 PolarHBondContact O-N 3.45Å; S90-T94 PolarHBondContact O-OG1 3.08Å
91F97.8Very high97Very high12 Ų1250.3 Ų50.35%0.05323%0.23CC..Hα-helixtrans-59.4-55.9173.8168.4-97.5000111.1W87 R89 L93 T94 T95 S132 T135 M170 F177 F192 I195W87-F91 WeakPolarHBondContact O-CB 3.27Å; W87-F91 PolarHBondContact O-N 3.07Å; R89-F91 VanDerWaalsContact C-N 3.29Å; F91-L93 PolarHBondContact O-N 3.31Å; F91-T94 PolarHBondContact O-N 2.97Å; F91-T94 VanDerWaalsContact O-N 3.13Å; F91-T95 WeakPolarHBondContact O-CB 3.44Å; F91-T95 PolarHBondContact O-N 2.91Å; F91-T95 PolarHBondContact O-OG1 3.18Å; F91-S132 WeakPolarHBondContact CE2-O 3.35Å; F91-T135 HydrophobicContact CZ-CG2 3.98Å; F91-T135 WeakPolarHBondContact CZ-OG1 3.48Å; F91-M170 HydrophobicContact CB-CE 4.15Å; F91-M170 HydrophobicContact CB-CG 4.09Å; F91-M170 HydrophobicContact CD1-CE 3.31Å; F91-M170 HydrophobicContact CD2-CB 3.93Å; F91-M170 HydrophobicContact CD2-CE 4.14Å; F91-M170 HydrophobicContact CD2-CG 4.38Å; F91-M170 HydrophobicContact CE1-CE 3.57Å; F91-M170 HydrophobicContact CE2-CB 4.37Å; F91-M170 HydrophobicContact CE2-CE 4.34Å; F91-M170 HydrophobicContact CG-CB 4.26Å; F91-M170 HydrophobicContact CG-CE 3.61Å; F91-M170 HydrophobicContact CG-CG 4.2Å; F91-M170 HydrophobicContact CZ-CE 4.08Å; F91-F177 AromaticContact CE1-CD2 3.89Å; F91-F177 HydrophobicContact CE1-CD2 3.89Å; F91-F177 AromaticContact CE1-CE2 3.73Å; F91-F177 HydrophobicContact CE1-CE2 3.73Å; F91-F177 HydrophobicContact CE1-CG 4.36Å; F91-F177 HydrophobicContact CE1-CZ 4.07Å; F91-F177 AromaticContact CZ-CD2 3.73Å; F91-F177 HydrophobicContact CZ-CD2 3.73Å; F91-F177 AromaticContact CZ-CE2 3.81Å; F91-F177 HydrophobicContact CZ-CE2 3.81Å; F91-F177 HydrophobicContact CZ-CG 4.44Å; F91-F192 AromaticContact CD1-CE1 3.76Å; F91-F192 HydrophobicContact CD1-CE1 3.76Å; F91-F192 HydrophobicContact CD1-CZ 4.14Å; F91-F192 HydrophobicContact CE1-CE1 4.01Å; F91-F192 HydrophobicContact CE1-CZ 4.31Å; F91-I195 HydrophobicContact CE1-CD1 4.29Å
92S97.7Very high97.2Very high0 Ų044.4 Ų44.40%020%0.202CC..Hα-helixtrans-55.4-49.6-176.866.70000113.3S88 R89 T94 T95 L96 D191 F192S88-S92 PolarHBondContact O-N 2.88Å; R89-S92 WeakPolarHBondContact CA-OG 3.47Å; R89-S92 PolarHBondContact O-N 2.87Å; R89-S92 PolarHBondContact O-OG 3.06Å; S92-T94 VanDerWaalsContact C-N 3.34Å; S92-T94 PolarHBondContact O-N 2.73Å; S92-T95 WeakPolarHBondContact O-CB 3.47Å; S92-T95 PolarHBondContact O-N 3.01Å; S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.84Å; S92-L96 VanDerWaalsContact O-N 3.15Å; S92-D191 WeakPolarHBondContact CB-O 3.27Å; S92-D191 PolarHBondContact OG-OD2 2.76Å; S92-F192 VanDerWaalsContact CB-CD1 3.43Å
93L97.8Very high97.4Very high62 Ų6244.4 Ų44.433%0.32520%0.204SC..Hα-helixtrans-67.9-34.9-179-63172.6000112V72 L74 R89 F91 R97V72-L93 HydrophobicContact CB-CB 3.95Å; V72-L93 HydrophobicContact CG1-CB 4.05Å; V72-L93 HydrophobicContact CG1-CD1 3.87Å; V72-L93 HydrophobicContact CG2-CB 3.76Å; L74-L93 HydrophobicContact CD1-CD1 4.28Å; R89-L93 HydrophobicContact CG-CD1 4.12Å; R89-L93 WeakPolarHBondContact O-CB 3.29Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.34Å; R89-L93 PolarHBondContact O-N 3.29Å; R89-L93 VanDerWaalsContact O-N 3.12Å; F91-L93 PolarHBondContact O-N 3.31Å; L93-R97 WeakPolarHBondContact O-CG 3.36Å; L93-R97 PolarHBondContact O-N 3.06Å
94T98.3Very high97.5Very high9 Ų943.1 Ų43.16%0.05520%0.2CC..Hα-helixtrans-68.9-44.6175-59.90000111.1T31 P71 V72 S90 F91 S92 L96 R97 I98T31-T94 HydrophobicContact CG2-CG2 3.96Å; P71-T94 HydrophobicContact CB-CG2 3.98Å; V72-T94 PolarHBondContact N-OG1 2.99Å; S90-T94 WeakPolarHBondContact O-CB 3.47Å; S90-T94 PolarHBondContact O-N 3.45Å; S90-T94 PolarHBondContact O-OG1 3.08Å; F91-T94 PolarHBondContact O-N 2.97Å; F91-T94 VanDerWaalsContact O-N 3.13Å; S92-T94 VanDerWaalsContact C-N 3.34Å; S92-T94 PolarHBondContact O-N 2.73Å; T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 2.76Å; T94-R97 PolarHBondContact O-N 2.95Å; T94-R97 VanDerWaalsContact O-N 3.16Å; T94-I98 HydrophobicContact CG2-CD1 3.73Å; T94-I98 HydrophobicContact CG2-CG1 4.24Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.42Å; T94-I98 PolarHBondContact O-N 3.29Å
95T98.5Very high97.7Very high2 Ų241.7 Ų41.71%0.01218%0.184CC..Hα-helixtrans-52.8-46.2175.6-64.80000111.5F91 S92 I98 A99 T135 G136 L139 I195F91-T95 WeakPolarHBondContact O-CB 3.44Å; F91-T95 PolarHBondContact O-N 2.91Å; F91-T95 PolarHBondContact O-OG1 3.18Å; S92-T95 WeakPolarHBondContact O-CB 3.47Å; S92-T95 PolarHBondContact O-N 3.01Å; T95-I98 PolarHBondContact O-N 2.93Å; T95-A99 WeakPolarHBondContact O-CB 3.01Å; T95-A99 PolarHBondContact O-N 2.83Å; T95-T135 HydrophobicContact CG2-CG2 3.64Å; T95-G136 WeakPolarHBondContact O-CA 3.47Å; T95-L139 HydrophobicContact CG2-CD2 4.45Å; T95-I195 HydrophobicContact CG2-CD1 3.78Å; T95-I195 HydrophobicContact CG2-CG1 3.86Å; T95-I195 HydrophobicContact CG2-CG2 4.49Å
96L98.2Very high97.6Very high60 Ų6041.8 Ų41.831%0.31419%0.185SC..Hα-helixtrans-67.2-39.4180-63177.7000112.6S92 T94 I98 A99 E100 I195S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.84Å; S92-L96 VanDerWaalsContact O-N 3.15Å; T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 2.76Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-A99 PolarHBondContact O-N 3.41Å; L96-E100 PolarHBondContact O-N 2.8Å; L96-I195 HydrophobicContact CD2-CG1 4.19Å
97R98.2Very high97.3Very high118 Ų11842.4 Ų42.445%0.44519%0.187SC..Hα-helixtrans-62.9-41173.2-72.4-178.9-179.2-1781.9112.1I69 I70 V72 L93 T94 R101I69-R97 HydrophobicContact CG2-CB 4.39Å; I70-R97 PolarHBondContact O-NH1 3.49Å; V72-R97 VanDerWaalsContact CG2-NH1 3.34Å; L93-R97 WeakPolarHBondContact O-CG 3.36Å; L93-R97 PolarHBondContact O-N 3.06Å; T94-R97 PolarHBondContact O-N 2.95Å; T94-R97 VanDerWaalsContact O-N 3.16Å; R97-R101 PolarHBondContact O-N 3.36Å
98I98.7Very high97Very high1 Ų143.1 Ų43.11%0.00519%0.193CC..Hα-helixtrans-63.1-50.2176.1-65.4165.4000110.1I29 I69 T94 T95 L96 E100 R101 V102 M133 G136 T137I29-I98 HydrophobicContact CD1-CD1 4.4Å; I29-I98 HydrophobicContact CD1-CG1 4.2Å; I29-I98 HydrophobicContact CD1-CG2 3.68Å; I29-I98 HydrophobicContact CG2-CD1 3.56Å; I29-I98 HydrophobicContact CG2-CG1 3.88Å; I69-I98 HydrophobicContact CD1-CB 4.2Å; I69-I98 HydrophobicContact CD1-CG1 3.95Å; I69-I98 HydrophobicContact CD1-CG2 4.39Å; I69-I98 HydrophobicContact CG2-CG1 4.3Å; T94-I98 HydrophobicContact CG2-CD1 3.73Å; T94-I98 HydrophobicContact CG2-CG1 4.24Å; T94-I98 VanDerWaalsContact O-CG1 3.29Å; T94-I98 WeakPolarHBondContact O-CG1 3.42Å; T94-I98 PolarHBondContact O-N 3.29Å; T95-I98 PolarHBondContact O-N 2.93Å; L96-I98 VanDerWaalsContact C-N 3.34Å; I98-E100 PolarHBondContact O-N 2.9Å; I98-R101 PolarHBondContact O-N 2.94Å; I98-V102 HydrophobicContact CG2-CG2 4.04Å; I98-V102 WeakPolarHBondContact O-CB 3.21Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.33Å; I98-M133 HydrophobicContact CD1-CB 4.01Å; I98-G136 VanDerWaalsContact CG2-C 3.46Å; I98-T137 HydrophobicContact CG2-CG2 3.59Å
99A98.6Very high96.3Very high9 Ų943.5 Ų43.57%0.07420%0.196CC..Hα-helixtrans-57.9-47.3-178.400000112T95 L96 R101 V102 E103 G136 L139 G140T95-A99 WeakPolarHBondContact O-CB 3.01Å; T95-A99 PolarHBondContact O-N 2.83Å; L96-A99 PolarHBondContact O-N 3.41Å; A99-R101 PolarHBondContact O-N 3.41Å; A99-V102 PolarHBondContact O-N 3.12Å; A99-E103 VanDerWaalsContact O-CB 3.26Å; A99-E103 WeakPolarHBondContact O-CB 3.5Å; A99-E103 PolarHBondContact O-N 3.45Å; A99-G136 VanDerWaalsContact CA-O 3.25Å; A99-G136 WeakPolarHBondContact CA-O 3.47Å; A99-G136 WeakPolarHBondContact CB-O 3.16Å; A99-L139 HydrophobicContact CB-CB 4.08Å; A99-L139 HydrophobicContact CB-CD2 3.87Å; A99-L139 HydrophobicContact CB-CG 3.97Å; A99-G140 VanDerWaalsContact O-CA 3.29Å; A99-G140 WeakPolarHBondContact O-CA 3.32Å
100E98.2Very high95Very high140 Ų14041.1 Ų41.165%0.65419%0.192SC*.Hα-helixtrans-57.7-48.2177.1-178178-16100111.7L96 I98 E103 E104L96-E100 PolarHBondContact O-N 2.8Å; I98-E100 PolarHBondContact O-N 2.9Å; E100-E103 PolarHBondContact O-N 3.15Å; E100-E104 WeakPolarHBondContact O-CB 3.3Å; E100-E104 PolarHBondContact O-N 3.35Å
101R98.3Very high93.5Very high65 Ų6547.9 Ų47.925%0.24522%0.221CC..Hα-helixtrans-68.8-40.1-178.3-177.255.6174.1161.41.5112.7L27 I69 R97 I98 A99 E104 L105L27-R101 HydrophobicContact CD1-CG 4.22Å; L27-R101 HydrophobicContact CD2-CG 4.39Å; I69-R101 HydrophobicContact CD1-CB 3.73Å; I69-R101 HydrophobicContact CD1-CG 3.89Å; I69-R101 HydrophobicContact CG1-CB 4.42Å; I69-R101 HydrophobicContact CG1-CG 4.18Å; R97-R101 PolarHBondContact O-N 3.36Å; I98-R101 PolarHBondContact O-N 2.94Å; A99-R101 PolarHBondContact O-N 3.41Å; R101-E104 WeakPolarHBondContact CD-OE2 3.32Å; R101-E104 IonicContact CZ-OE2 3.41Å; R101-E104 IonicContact NH1-OE1 3.26Å; R101-E104 PolarHBondContact NH1-OE1 2.81Å; R101-E104 VanDerWaalsContact NH1-OE1 3.12Å; R101-E104 IonicContact NH1-OE2 3.66Å; R101-E104 PolarHBondContact NH1-OE2 2.8Å; R101-E104 PolarHBondContact O-N 3.19Å; R101-L105 HydrophobicContact CG-CD1 4.29Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 3.09Å
102V98.3Very high91.7Very high0 Ų052.9 Ų52.90%024%0.244CC..Hα-helixtrans-66.1-44.4177.4169.50000110.4L27 I98 A99 E104 L105 M106 L124 I126 T137 H141L27-V102 HydrophobicContact CD2-CG2 3.98Å; I98-V102 HydrophobicContact CG2-CG2 4.04Å; I98-V102 WeakPolarHBondContact O-CB 3.21Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.33Å; A99-V102 PolarHBondContact O-N 3.12Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.32Å; V102-L105 PolarHBondContact O-N 2.75Å; V102-M106 HydrophobicContact CG1-CG 4.17Å; V102-M106 VanDerWaalsContact O-CB 3.29Å; V102-M106 WeakPolarHBondContact O-CB 3.31Å; V102-M106 WeakPolarHBondContact O-CG 3.2Å; V102-M106 PolarHBondContact O-N 3.4Å; V102-L124 HydrophobicContact CB-CD2 4.47Å; V102-L124 HydrophobicContact CG1-CD2 3.98Å; V102-L124 HydrophobicContact CG2-CD2 4.25Å; V102-I126 HydrophobicContact CG2-CD1 3.95Å; V102-T137 HydrophobicContact CG2-CG2 4.36Å; V102-H141 HydrophobicContact CG1-CB 4.48Å
103E97.5Very high89.8Confident52 Ų5254.7 Ų54.724%0.24326%0.255CS..Hα-helixtrans-57.4-46.6174.8-175.6-166.7161.100111.3A99 E100 M106 K107 E143A99-E103 VanDerWaalsContact O-CB 3.26Å; A99-E103 WeakPolarHBondContact O-CB 3.5Å; A99-E103 PolarHBondContact O-N 3.45Å; E100-E103 PolarHBondContact O-N 3.15Å; E103-M106 PolarHBondContact O-N 3.38Å; E103-K107 HydrophobicContact CG-CD 4.09Å; E103-K107 WeakPolarHBondContact O-CB 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.38Å; E103-K107 PolarHBondContact O-N 3.15Å; E103-K107 WeakPolarHBondContact OE1-CE 3.21Å; E103-K107 IonicContact OE1-NZ 2.57Å; E103-K107 PolarHBondContact OE1-NZ 3.38Å; E103-E143 HydrophobicContact CB-CB 4.43Å; E103-E143 HydrophobicContact CG-CB 3.85Å
104E96.9Very high87.9Confident82 Ų8257.6 Ų57.638%0.38328%0.275SS..Hα-helixtrans-57.3-54178.3-170.5-156.1157.300111.6E100 R101 V102 M106 K107 Q108E100-E104 WeakPolarHBondContact O-CB 3.3Å; E100-E104 PolarHBondContact O-N 3.35Å; R101-E104 WeakPolarHBondContact CD-OE2 3.32Å; R101-E104 IonicContact CZ-OE2 3.41Å; R101-E104 IonicContact NH1-OE1 3.26Å; R101-E104 PolarHBondContact NH1-OE1 2.81Å; R101-E104 VanDerWaalsContact NH1-OE1 3.12Å; R101-E104 IonicContact NH1-OE2 3.66Å; R101-E104 PolarHBondContact NH1-OE2 2.8Å; R101-E104 PolarHBondContact O-N 3.19Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.32Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 2.9Å; E104-K107 PolarHBondContact O-N 3.16Å; E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.35Å; E104-Q108 PolarHBondContact O-N 3.32Å; E104-Q108 PolarHBondContact OE1-NE2 2.97Å
105L96.4Very high85.8Confident4 Ų464.7 Ų64.72%0.02131%0.308CS..Hα-helixtrans-61.8-42-179-72.2174.5000111.8L27 C66 R101 V102 K107 Q108 S109 L124L27-L105 HydrophobicContact CB-CD1 4.38Å; L27-L105 HydrophobicContact CD1-CD1 4.16Å; L27-L105 HydrophobicContact CD2-CD1 4.06Å; L27-L105 HydrophobicContact CG-CD1 4.45Å; C66-L105 HydrophobicContact CB-CD1 4.07Å; C66-L105 HydrophobicContact CB-CD2 4.2Å; R101-L105 HydrophobicContact CG-CD1 4.29Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 3.09Å; V102-L105 PolarHBondContact O-N 2.75Å; L105-K107 PolarHBondContact O-N 3.3Å; L105-Q108 PolarHBondContact O-N 2.9Å; L105-S109 PolarHBondContact O-N 3.12Å; L105-S109 PolarHBondContact O-OG 3.12Å; L105-L124 HydrophobicContact CB-CD1 4.46Å; L105-L124 HydrophobicContact CB-CD2 4.41Å; L105-L124 HydrophobicContact CD1-CD1 3.93Å; L105-L124 HydrophobicContact CD1-CD2 4.49Å
106M94.3Very high83.6Confident3 Ų369.7 Ų69.72%0.01533%0.334CS..Hα-helixtrans-64.6-40.9178.6-71.2-70.3-70.400111.9V102 E103 E104 N110 L124 H141 A144 K145 S301 V302V102-M106 HydrophobicContact CG1-CG 4.17Å; V102-M106 VanDerWaalsContact O-CB 3.29Å; V102-M106 WeakPolarHBondContact O-CB 3.31Å; V102-M106 WeakPolarHBondContact O-CG 3.2Å; V102-M106 PolarHBondContact O-N 3.4Å; E103-M106 PolarHBondContact O-N 3.38Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 2.9Å; M106-N110 PolarHBondContact O-N 3.46Å; M106-N110 PolarHBondContact O-ND2 3.24Å; M106-L124 HydrophobicContact CG-CD2 4.27Å; M106-L124 HydrophobicContact SD-CB 3.98Å; M106-L124 HydrophobicContact SD-CD2 4.36Å; M106-H141 WeakPolarHBondContact CE-CD2 3.34Å; M106-A144 HydrophobicContact CB-CB 3.61Å; M106-A144 HydrophobicContact CG-CB 4.49Å; M106-K145 HydrophobicContact CE-CD 4.18Å; M106-S301 WeakPolarHBondContact CE-OG 3.36Å; M106-V302 HydrophobicContact CE-CG2 3.92Å; M106-V302 HydrophobicContact SD-CG2 3.75Å
107K91.8Very high81.1Confident92 Ų9273.1 Ų73.140%0.436%0.363SS..Hα-helixtrans-68.8-34.1176-74.5179.2177.9178.40112.5E103 E104 L105 K111 A144E103-K107 HydrophobicContact CG-CD 4.09Å; E103-K107 WeakPolarHBondContact O-CB 3.28Å; E103-K107 WeakPolarHBondContact O-CG 3.38Å; E103-K107 PolarHBondContact O-N 3.15Å; E103-K107 WeakPolarHBondContact OE1-CE 3.21Å; E103-K107 IonicContact OE1-NZ 2.57Å; E103-K107 PolarHBondContact OE1-NZ 3.38Å; E104-K107 PolarHBondContact O-N 3.16Å; L105-K107 PolarHBondContact O-N 3.3Å; K107-K111 PolarHBondContact O-N 3.06Å; K107-A144 HydrophobicContact CG-CB 4.41Å
108Q88.9Confident78.8Confident81 Ų8170.9 Ų70.938%0.37938%0.377SS..Hα-helixtrans-66.4-43.4175-73.1171.65.500112.3E104 L105 N110 K111 H112E104-Q108 VanDerWaalsContact O-CG 3.32Å; E104-Q108 WeakPolarHBondContact O-CG 3.35Å; E104-Q108 PolarHBondContact O-N 3.32Å; E104-Q108 PolarHBondContact OE1-NE2 2.97Å; L105-Q108 PolarHBondContact O-N 2.9Å; Q108-N110 VanDerWaalsContact C-N 3.34Å; Q108-N110 PolarHBondContact O-N 2.96Å; Q108-K111 PolarHBondContact O-N 3.04Å; Q108-H112 PolarHBondContact O-N 3.33Å; Q108-H112 PolarHBondContact O-ND1 3.3Å; Q108-H112 VanDerWaalsContact O-ND1 3.12Å
109S83.2Confident76.4Confident8 Ų872.1 Ų72.16%0.05639%0.385CS..Hα-helixtrans-60.8-40.3175.7-72.20000112.9N25 L105 K111 H112 T113N25-S109 PolarHBondContact ND2-OG 3.3Å; L105-S109 PolarHBondContact O-N 3.12Å; L105-S109 PolarHBondContact O-OG 3.12Å; S109-K111 VanDerWaalsContact C-N 3.32Å; S109-K111 PolarHBondContact O-N 3.22Å; S109-H112 PolarHBondContact O-N 2.54Å; S109-T113 PolarHBondContact O-N 3.4Å; S109-T113 VanDerWaalsContact O-N 3.17Å; S109-T113 PolarHBondContact O-OG1 3.42Å
110N70.6Confident74.8Confident62 Ų6275.3 Ų75.333%0.33240%0.398SS..Hα-helixtrans-64-36.4179.1-72.9-22.8000112.2M106 Q108 T113 V114M106-N110 PolarHBondContact O-N 3.46Å; M106-N110 PolarHBondContact O-ND2 3.24Å; Q108-N110 VanDerWaalsContact C-N 3.34Å; Q108-N110 PolarHBondContact O-N 2.96Å; N110-T113 PolarHBondContact O-N 3.27Å; N110-V114 WeakPolarHBondContact O-CG2 3.11Å; N110-V114 PolarHBondContact O-N 3.3Å
111K65.9Low73.7Confident143 Ų14370.4 Ų70.462%0.62238%0.379SS*.Hα-helixtrans-66.2-45.9177.8-70.1178.7-179.41790112.2K107 Q108 S109 T113 V114 E115K107-K111 PolarHBondContact O-N 3.06Å; Q108-K111 PolarHBondContact O-N 3.04Å; S109-K111 VanDerWaalsContact C-N 3.32Å; S109-K111 PolarHBondContact O-N 3.22Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 3.14Å; K111-V114 PolarHBondContact O-N 2.78Å; K111-E115 PolarHBondContact O-N 3.39Å
112H59.7Low73.4Confident118 Ų11867.9 Ų67.955%0.54637%0.371SS..Hα-helixtrans-62.2-34.6177.9-77.374.4000112.5Q108 S109 L116Q108-H112 PolarHBondContact O-N 3.33Å; Q108-H112 PolarHBondContact O-ND1 3.3Å; Q108-H112 VanDerWaalsContact O-ND1 3.12Å; S109-H112 PolarHBondContact O-N 2.54Å; H112-L116 PolarHBondContact O-N 3.33Å
113T57.8Low73.2Confident37 Ų3767.9 Ų67.923%0.22737%0.371CS..Hα-helixtrans-68.4-33.9178.9-50.80000112.2S109 N110 K111 S119S109-T113 PolarHBondContact O-N 3.4Å; S109-T113 VanDerWaalsContact O-N 3.17Å; S109-T113 PolarHBondContact O-OG1 3.42Å; N110-T113 PolarHBondContact O-N 3.27Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 3.14Å; T113-S119 VanDerWaalsContact CG2-O 3.3Å; T113-S119 WeakPolarHBondContact CG2-O 3.33Å
114V58.3Low73.3Confident123 Ų12365.4 Ų65.475%0.74536%0.359SS*.Hα-helixtrans-76.2-37179.21750000111.8N110 K111N110-V114 WeakPolarHBondContact O-CG2 3.11Å; N110-V114 PolarHBondContact O-N 3.3Å; K111-V114 PolarHBondContact O-N 2.78Å
115E53Low73.3Confident159 Ų15961.5 Ų61.574%0.74334%0.341SS*.Hα-helixtrans-71.5-35-178.5-70.6178.6-174.700112.6K111 S117K111-E115 PolarHBondContact O-N 3.39Å; E115-S117 PolarHBondContact O-N 2.94Å
116L52Low73.5Confident106 Ų10661.3 Ų61.356%0.55534%0.34SS*.SBendtrans-89.593.4174-67165.7000108.9H112 G118 S119H112-L116 PolarHBondContact O-N 3.33Å; L116-G118 PolarHBondContact O-N 3.37Å; L116-S119 PolarHBondContact O-N 3.3Å
117S45.8Very low73.7Confident132 Ų13261.2 Ų61.292%0.92334%0.339SS*.THydrogen-bonded Turntrans-52.455.1176.9169.10000115.6E115E115-S117 PolarHBondContact O-N 2.94Å
118G49.8Very low73.9Confident72 Ų7256.8 Ų56.874%0.74232%0.32SS*.THydrogen-bonded Turntrans153.6-5.9-174.500000114.8L116L116-G118 PolarHBondContact O-N 3.37Å
119S48.8Very low74.3Confident27 Ų2753 Ų5319%0.18930%0.302CS..  trans-71.2136.2174.4-164.60000110.3T113 L116T113-S119 VanDerWaalsContact CG2-O 3.3Å; T113-S119 WeakPolarHBondContact CG2-O 3.33Å; L116-S119 PolarHBondContact O-N 3.3Å
120K65.6Low75.1Confident76 Ų7652.6 Ų52.633%0.3330%0.299SS..  trans-83168.7179.3-63.8179.5-178.8179.70109.6K18 L19 L20K18-K120 PolarHBondContact O-NZ 3.39Å; L19-K120 VanDerWaalsContact O-CD 3.29Å; L19-K120 WeakPolarHBondContact O-CD 3.42Å; L19-K120 WeakPolarHBondContact O-CE 3.22Å; L19-K120 PolarHBondContact O-NZ 2.88Å; L20-K120 WeakPolarHBondContact O-CB 3.34Å; L20-K120 WeakPolarHBondContact O-CD 3.44Å
121S75.4Confident76.4Confident37 Ų3749.6 Ų49.626%0.25928%0.284SS..  trans-41.9140.6176.9-174.20000111.8Y21 P123Y21-S121 VanDerWaalsContact CD1-O 3.27Å; Y21-S121 WeakPolarHBondContact CD1-O 3.4Å; S121-P123 WeakPolarHBondContact O-CD 3.22Å
122T91.3Very high77.9Confident12 Ų1243.2 Ų43.27%0.07426%0.257CS..  trans-107.195.4172.9-57.20000107.8S23S23-T122 PolarHBondContact OG-OG1 2.91Å
123P95Very high79.8Confident0 Ų037.6 Ų37.60%023%0.231CC..PPolyproline II helixtrans-67.2149-178.228.1-34.5000111.2Y21 A24 N25 S121 S301 L333Y21-P123 VanDerWaalsContact CD1-CD 3.49Å; Y21-P123 HydrophobicContact CD1-CG 3.85Å; Y21-P123 HydrophobicContact CD2-CG 4.27Å; Y21-P123 HydrophobicContact CE1-CG 4Å; Y21-P123 HydrophobicContact CE2-CG 4.43Å; Y21-P123 HydrophobicContact CG-CG 3.96Å; A24-P123 WeakPolarHBondContact CA-O 3.35Å; A24-P123 HydrophobicContact CB-CG 4.08Å; N25-P123 PolarHBondContact N-O 3.19Å; N25-P123 VanDerWaalsContact N-O 3.1Å; S121-P123 WeakPolarHBondContact O-CD 3.22Å; P123-S301 WeakPolarHBondContact CA-O 3.42Å; P123-L333 HydrophobicContact CG-CD2 3.64Å
124L98Very high81.7Confident0 Ų035.9 Ų35.90%022%0.22CC..EExtended strand (participates in β ladder)trans-95.2121.2169.1-179.761.9000109.1N25 L27 V102 L105 M106 I126 S301 V302 V303N25-L124 HydrophobicContact CB-CD1 3.74Å; L27-L124 HydrophobicContact CB-CD1 4.16Å; V102-L124 HydrophobicContact CB-CD2 4.47Å; V102-L124 HydrophobicContact CG1-CD2 3.98Å; V102-L124 HydrophobicContact CG2-CD2 4.25Å; L105-L124 HydrophobicContact CB-CD1 4.46Å; L105-L124 HydrophobicContact CB-CD2 4.41Å; L105-L124 HydrophobicContact CD1-CD1 3.93Å; L105-L124 HydrophobicContact CD1-CD2 4.49Å; M106-L124 HydrophobicContact CG-CD2 4.27Å; M106-L124 HydrophobicContact SD-CB 3.98Å; M106-L124 HydrophobicContact SD-CD2 4.36Å; L124-I126 HydrophobicContact CD2-CD1 3.95Å; L124-I126 HydrophobicContact CD2-CG1 4.11Å; L124-I126 HydrophobicContact CG-CD1 4.24Å; L124-I126 HydrophobicContact CG-CG1 3.86Å; L124-S301 PolarHBondContact N-O 2.91Å; L124-V302 HydrophobicContact CB-CG2 4.29Å; L124-V302 WeakPolarHBondContact O-CA 3.35Å; L124-V303 PolarHBondContact O-N 3.42Å
125V98.6Very high83.7Confident0 Ų030 Ų300%019%0.185CC..EExtended strand (participates in β ladder)trans-98118.3173.7-179.60000107.9N25 F26 L27 F52 V303 L329 L333N25-V125 WeakPolarHBondContact O-CB 3.49Å; N25-V125 PolarHBondContact O-N 2.87Å; F26-V125 CarbonylContact C-O 3.53Å; F26-V125 VanDerWaalsContact CA-O 3.29Å; F26-V125 WeakPolarHBondContact CA-O 3.26Å; F26-V125 HydrophobicContact CD2-CB 4.41Å; F26-V125 HydrophobicContact CD2-CG1 4.01Å; F26-V125 HydrophobicContact CE2-CG1 4.44Å; L27-V125 PolarHBondContact N-O 3.46Å; F52-V125 HydrophobicContact CE1-CG1 4.45Å; F52-V125 HydrophobicContact CZ-CG1 4.3Å; V125-V303 HydrophobicContact CB-CG1 4.24Å; V125-V303 HydrophobicContact CG1-CG1 4.23Å; V125-V303 HydrophobicContact CG2-CG1 3.88Å; V125-L329 HydrophobicContact CG1-CD2 3.91Å; V125-L333 HydrophobicContact CG2-CD1 4.12Å; V125-L333 HydrophobicContact CG2-CD2 3.79Å; V125-L333 HydrophobicContact CG2-CG 4.2Å
126I98.9Very high85.8Confident0 Ų022.4 Ų22.40%015%0.149CC..EExtended strand (participates in β ladder)trans-111.5127.7178.8-55.3-179.3000107.9L27 I29 V102 L124 M133 T137 V302 V303 E304 L305L27-I126 HydrophobicContact CB-CG1 4.43Å; L27-I126 HydrophobicContact CD2-CG1 4.5Å; L27-I126 WeakPolarHBondContact O-CA 3.29Å; I29-I126 HydrophobicContact CD1-CG2 3.45Å; I29-I126 VanDerWaalsContact CD1-CG2 3.45Å; I29-I126 HydrophobicContact CG1-CG2 3.82Å; V102-I126 HydrophobicContact CG2-CD1 3.95Å; L124-I126 HydrophobicContact CD2-CD1 3.95Å; L124-I126 HydrophobicContact CD2-CG1 4.11Å; L124-I126 HydrophobicContact CG-CD1 4.24Å; L124-I126 HydrophobicContact CG-CG1 3.86Å; I126-M133 HydrophobicContact CG2-SD 4.2Å; I126-T137 HydrophobicContact CD1-CG2 3.56Å; I126-T137 HydrophobicContact CG2-CG2 4.25Å; I126-V302 HydrophobicContact CD1-CG1 3.82Å; I126-V302 HydrophobicContact CG1-CG1 4.29Å; I126-V303 PolarHBondContact N-O 3.46Å; I126-E304 HydrophobicContact CB-CB 3.85Å; I126-E304 HydrophobicContact CG2-CB 4.26Å; I126-E304 CarbonylContact O-C 3.46Å; I126-E304 VanDerWaalsContact O-CA 3.3Å; I126-E304 WeakPolarHBondContact O-CA 3.38Å; I126-L305 PolarHBondContact O-N 3.07Å
127V98.8Very high88.1Confident0 Ų017.4 Ų17.40%012%0.123CC..EExtended strand (participates in β ladder)trans-111.8122.5167.6179.70000107.4F26 L27 G28 I29 G43 P44 I47 L308 L329F26-V127 HydrophobicContact CD2-CG2 4.41Å; F26-V127 HydrophobicContact CE2-CB 4.16Å; F26-V127 HydrophobicContact CE2-CG2 3.36Å; F26-V127 HydrophobicContact CZ-CB 3.86Å; F26-V127 HydrophobicContact CZ-CG2 3.56Å; L27-V127 PolarHBondContact O-N 3.2Å; G28-V127 CarbonylContact C-O 3.27Å; G28-V127 WeakPolarHBondContact CA-O 3.37Å; I29-V127 PolarHBondContact N-O 2.84Å; G43-V127 WeakPolarHBondContact O-CG1 2.9Å; P44-V127 WeakPolarHBondContact CG-O 3.46Å; I47-V127 HydrophobicContact CB-CG1 4.24Å; I47-V127 HydrophobicContact CB-CG2 4.22Å; I47-V127 HydrophobicContact CG1-CB 4.5Å; I47-V127 HydrophobicContact CG1-CG1 3.7Å; I47-V127 HydrophobicContact CG1-CG2 4.06Å; I47-V127 HydrophobicContact CG2-CG2 4.2Å; V127-L308 HydrophobicContact CG1-CD1 4.18Å; V127-L329 HydrophobicContact CG2-CD1 3.76Å
128G96.6Very high90.6Very high0 Ų011.1 Ų11.10%08%0.079CC..EExtended strand (participates in β ladder)trans-96.3-178.8-173.700000114.8I29 P44 M133 L305I29-G128 CarbonylContact O-C 3.54Å; I29-G128 VanDerWaalsContact O-C 3.23Å; I29-G128 WeakPolarHBondContact O-CA 3.03Å; P44-G128 WeakPolarHBondContact CD-O 3.28Å; G128-M133 VanDerWaalsContact CA-CE 3.44Å; G128-M133 WeakPolarHBondContact CA-SD 3.39Å; G128-L305 PolarHBondContact N-O 3.25Å
129G97.8Very high92.9Very high0 Ų08 Ų80%05%0.045CC..SBendtrans-99.1-122146.200000109.8I29 T31 T40 E307I29-G129 PolarHBondContact O-N 3.17Å; T31-G129 VanDerWaalsContact O-CA 3.24Å; T31-G129 WeakPolarHBondContact O-CA 3.09Å; T40-G129 WeakPolarHBondContact O-CA 3.29Å; G129-E307 PolarHBondContact O-N 3.47Å
130D98.5Very high95.3Very high0 Ų06.7 Ų6.70%04%0.036CC..SBendtrans-69155.5-177.169.366.6000112.7T31 N32 R33 G34 Q35 T40 S132 M133 H171 E307T31-D130 VanDerWaalsContact C-OD2 3.31Å; T31-D130 PolarHBondContact O-N 3.38Å; T31-D130 VanDerWaalsContact O-N 3.07Å; T31-D130 PolarHBondContact OG1-N 2.88Å; T31-D130 PolarHBondContact OG1-O 2.81Å; N32-D130 WeakPolarHBondContact CA-OD2 3.23Å; N32-D130 PolarHBondContact N-OD2 3.27Å; N32-D130 VanDerWaalsContact N-OD2 3.08Å; R33-D130 PolarHBondContact N-OD2 3.06Å; G34-D130 WeakPolarHBondContact CA-OD1 3.47Å; G34-D130 PolarHBondContact N-OD2 2.73Å; Q35-D130 HydrophobicContact CG-CB 3.53Å; T40-D130 HydrophobicContact CG2-CB 4.35Å; D130-S132 PolarHBondContact O-N 2.93Å; D130-S132 WeakPolarHBondContact OD1-CB 3.39Å; D130-S132 PolarHBondContact OD1-N 3.31Å; D130-S132 PolarHBondContact OD1-OG 3.17Å; D130-M133 WeakPolarHBondContact O-CG 3.38Å; D130-M133 PolarHBondContact O-N 3.35Å; D130-H171 HydrophobicContact CB-CB 4.23Å; D130-E307 VanDerWaalsContact CA-OE1 3.26Å; D130-E307 WeakPolarHBondContact CA-OE1 3.44Å; D130-E307 WeakPolarHBondContact CB-OE1 3.43Å
131H98.6Very high96.8Very high0 Ų03.1 Ų3.10%02%0.02CC..G310 helixtrans-67.1-7.4-169.2-142.2162.9000114.3M133 A134 W152 D154 D158 H171 S260 D262 A306 E307H131-M133 PolarHBondContact O-N 3.35Å; H131-M133 VanDerWaalsContact O-N 3.11Å; H131-A134 VanDerWaalsContact O-CB 3.27Å; H131-A134 WeakPolarHBondContact O-CB 3.21Å; H131-A134 PolarHBondContact O-N 3.18Å; H131-A134 VanDerWaalsContact O-N 3.07Å; H131-W152 AromaticContact CD2-CH2 3.8Å; H131-W152 AromaticContact CD2-CZ2 3.72Å; H131-W152 AromaticContact CE1-CE2 3.42Å; H131-W152 VanDerWaalsContact CE1-CE2 3.42Å; H131-W152 AromaticContact CE1-CH2 3.91Å; H131-W152 AromaticContact CE1-CZ2 3.17Å; H131-W152 WeakPolarHBondContact CE1-CZ2 3.49Å; H131-W152 AromaticContact CE1-NE1 3.61Å; H131-W152 AromaticContact CG-CZ2 3.93Å; H131-W152 AromaticContact ND1-CZ2 3.6Å; H131-W152 AromaticContact NE2-CE2 3.76Å; H131-W152 AromaticContact NE2-CH2 3.48Å; H131-W152 WeakPolarHBondContact NE2-CH2 3.25Å; H131-W152 AromaticContact NE2-CZ2 3.24Å; H131-W152 WeakPolarHBondContact NE2-CZ2 3.39Å; H131-D154 IonicContact CE1-OD2 3.35Å; H131-D154 PolarHBondContact CE1-OD2 3.18Å; H131-D154 VanDerWaalsContact CE1-OD2 3.28Å; H131-D154 IonicContact ND1-OD2 3.95Å; H131-D154 PolarHBondContact ND1-OD2 2.98Å; H131-D158 IonicContact CE1-OD2 2.99Å; H131-D158 IonicContact CG-OD2 3.79Å; H131-D158 IonicContact ND1-OD2 3.41Å; H131-D158 PolarHBondContact ND1-OD2 2.95Å; H131-H171 HydrophobicContact CB-CB 4.34Å; H131-S260 PolarHBondContact NE2-OG 3.38Å; H131-D262 IonicContact CE1-OD2 2.65Å; H131-D262 IonicContact CG-OD2 2.77Å; H131-D262 IonicContact ND1-OD2 3.68Å; H131-D262 PolarHBondContact ND1-OD2 3Å; H131-A306 HydrophobicContact CB-CB 4.07Å; H131-E307 HydrophobicContact CB-CG 4.32Å; H131-E307 PolarHBondContact N-OE1 2.82Å
132S98.4Very high97.9Very high8 Ų81.8 Ų1.86%0.0561%0.012CC..G310 helixtrans-62.1-20.5174.577.80000113.3F91 D130 A134 T135F91-S132 WeakPolarHBondContact CE2-O 3.35Å; D130-S132 PolarHBondContact O-N 2.93Å; D130-S132 WeakPolarHBondContact OD1-CB 3.39Å; D130-S132 PolarHBondContact OD1-N 3.31Å; D130-S132 PolarHBondContact OD1-OG 3.17Å; S132-A134 PolarHBondContact O-N 2.67Å; S132-T135 PolarHBondContact O-N 2.66Å
133M98.5Very high98.2Very high1 Ų16 Ų61%0.0053%0.03CC..G310 helixtrans-58.3-27.6173.966.5165-179.600113.3I29 T31 I98 I126 G128 D130 H131 T135 G136 T137 E304 A306I29-M133 HydrophobicContact CB-SD 4.04Å; I29-M133 HydrophobicContact CD1-SD 4.25Å; I29-M133 HydrophobicContact CG2-CB 3.95Å; I29-M133 HydrophobicContact CG2-SD 4.41Å; T31-M133 HydrophobicContact CG2-CB 4.43Å; I98-M133 HydrophobicContact CD1-CB 4.01Å; I126-M133 HydrophobicContact CG2-SD 4.2Å; G128-M133 VanDerWaalsContact CA-CE 3.44Å; G128-M133 WeakPolarHBondContact CA-SD 3.39Å; D130-M133 WeakPolarHBondContact O-CG 3.38Å; D130-M133 PolarHBondContact O-N 3.35Å; H131-M133 PolarHBondContact O-N 3.35Å; H131-M133 VanDerWaalsContact O-N 3.11Å; M133-T135 PolarHBondContact O-N 2.94Å; M133-G136 WeakPolarHBondContact O-CA 3.25Å; M133-G136 PolarHBondContact O-N 3.23Å; M133-T137 PolarHBondContact O-N 3.29Å; M133-T137 VanDerWaalsContact O-N 3.12Å; M133-E304 HydrophobicContact CE-CB 4.09Å; M133-E304 HydrophobicContact CE-CG 4.4Å; M133-A306 HydrophobicContact CE-CB 3.79Å
134A98.7Very high98.2Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-59.9-31.3-173.300000112.5H131 S132 G136 T137 I138 W152 P174 E304H131-A134 VanDerWaalsContact O-CB 3.27Å; H131-A134 WeakPolarHBondContact O-CB 3.21Å; H131-A134 PolarHBondContact O-N 3.18Å; H131-A134 VanDerWaalsContact O-N 3.07Å; S132-A134 PolarHBondContact O-N 2.67Å; A134-G136 VanDerWaalsContact C-N 3.25Å; A134-G136 PolarHBondContact O-N 3.38Å; A134-T137 WeakPolarHBondContact CA-OG1 3.36Å; A134-T137 PolarHBondContact O-N 3.47Å; A134-T137 PolarHBondContact O-OG1 2.95Å; A134-T137 VanDerWaalsContact O-OG1 3.12Å; A134-I138 HydrophobicContact CB-CD1 4.41Å; A134-I138 VanDerWaalsContact O-CB 3.32Å; A134-I138 WeakPolarHBondContact O-CB 3.49Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.47Å; A134-I138 PolarHBondContact O-N 3.4Å; A134-W152 HydrophobicContact CB-CH2 3.5Å; A134-W152 HydrophobicContact CB-CZ3 3.81Å; A134-P174 HydrophobicContact CB-CB 4.09Å; A134-P174 HydrophobicContact CB-CG 4.45Å; A134-E304 WeakPolarHBondContact CA-OE1 3.47Å; A134-E304 WeakPolarHBondContact CB-OE1 3.3Å
135T98.7Very high98.1Very high0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-57.3-43.3173.7-54.20000110.9F91 T95 S132 M133 L139 P174 F177 L178 I195F91-T135 HydrophobicContact CZ-CG2 3.98Å; F91-T135 WeakPolarHBondContact CZ-OG1 3.48Å; T95-T135 HydrophobicContact CG2-CG2 3.64Å; S132-T135 PolarHBondContact O-N 2.66Å; M133-T135 PolarHBondContact O-N 2.94Å; T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.48Å; T135-L139 VanDerWaalsContact O-N 3.17Å; T135-P174 WeakPolarHBondContact OG1-CA 3.44Å; T135-P174 VanDerWaalsContact OG1-CB 3.26Å; T135-P174 WeakPolarHBondContact OG1-CB 3.48Å; T135-P174 PolarHBondContact OG1-O 3.1Å; T135-F177 HydrophobicContact CG2-CB 3.94Å; T135-L178 HydrophobicContact CG2-CD2 3.91Å; T135-L178 HydrophobicContact CG2-CG 4.08Å; T135-I195 HydrophobicContact CG2-CG2 3.76Å
136G98.7Very high97.9Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-75.3-42.6-179.100000112.6T95 I98 A99 M133 A134 L139 G140T95-G136 WeakPolarHBondContact O-CA 3.47Å; I98-G136 VanDerWaalsContact CG2-C 3.46Å; A99-G136 VanDerWaalsContact CA-O 3.25Å; A99-G136 WeakPolarHBondContact CA-O 3.47Å; A99-G136 WeakPolarHBondContact CB-O 3.16Å; M133-G136 WeakPolarHBondContact O-CA 3.25Å; M133-G136 PolarHBondContact O-N 3.23Å; A134-G136 VanDerWaalsContact C-N 3.25Å; A134-G136 PolarHBondContact O-N 3.38Å; G136-L139 PolarHBondContact O-N 2.89Å; G136-G140 PolarHBondContact O-N 2.93Å
137T98.8Very high97.6Very high0 Ų017.8 Ų17.80%010%0.1CC..Hα-helixtrans-67.7-42.1-17761.90000111.5I29 I98 V102 I126 M133 A134 H141 E304I29-T137 HydrophobicContact CD1-CG2 3.58Å; I98-T137 HydrophobicContact CG2-CG2 3.59Å; V102-T137 HydrophobicContact CG2-CG2 4.36Å; I126-T137 HydrophobicContact CD1-CG2 3.56Å; I126-T137 HydrophobicContact CG2-CG2 4.25Å; M133-T137 PolarHBondContact O-N 3.29Å; M133-T137 VanDerWaalsContact O-N 3.12Å; A134-T137 WeakPolarHBondContact CA-OG1 3.36Å; A134-T137 PolarHBondContact O-N 3.47Å; A134-T137 PolarHBondContact O-OG1 2.95Å; A134-T137 VanDerWaalsContact O-OG1 3.12Å; T137-H141 VanDerWaalsContact O-CB 3.27Å; T137-H141 WeakPolarHBondContact O-CB 3.5Å; T137-H141 PolarHBondContact O-N 3.08Å; T137-E304 WeakPolarHBondContact CB-OE2 3.26Å; T137-E304 WeakPolarHBondContact CG2-OE2 3.21Å; T137-E304 VanDerWaalsContact OG1-CD 3.28Å; T137-E304 PolarHBondContact OG1-OE1 3.24Å; T137-E304 PolarHBondContact OG1-OE2 3.45Å
138I98.8Very high97.6Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-69.8-40.5176.5-63.7168.1000110.4A134 H141 A142 L148 V150 W152 L175 L178 L199 H258A134-I138 HydrophobicContact CB-CD1 4.41Å; A134-I138 VanDerWaalsContact O-CB 3.32Å; A134-I138 WeakPolarHBondContact O-CB 3.49Å; A134-I138 VanDerWaalsContact O-CG1 3.3Å; A134-I138 WeakPolarHBondContact O-CG1 3.47Å; A134-I138 PolarHBondContact O-N 3.4Å; I138-H141 PolarHBondContact O-N 2.79Å; I138-A142 WeakPolarHBondContact O-CB 3.33Å; I138-A142 PolarHBondContact O-N 2.66Å; I138-L148 HydrophobicContact CG2-CD1 4.48Å; I138-V150 HydrophobicContact CD1-CG1 4.36Å; I138-V150 HydrophobicContact CD1-CG2 4.27Å; I138-V150 HydrophobicContact CG2-CG2 4.38Å; I138-W152 HydrophobicContact CD1-CE3 4.49Å; I138-W152 HydrophobicContact CD1-CZ3 3.87Å; I138-L175 HydrophobicContact CD1-CD2 4.18Å; I138-L178 HydrophobicContact CB-CD1 3.54Å; I138-L178 HydrophobicContact CD1-CD1 4.12Å; I138-L178 HydrophobicContact CG1-CD1 4.41Å; I138-L178 HydrophobicContact CG2-CD1 3.62Å; I138-L199 HydrophobicContact CG2-CD1 4.04Å; I138-L199 HydrophobicContact CG2-CD2 4.06Å; I138-L199 HydrophobicContact CG2-CG 4.17Å; I138-H258 VanDerWaalsContact CG1-CE1 3.5Å; I138-H258 WeakPolarHBondContact CG1-CE1 3.15Å
139L98.5Very high97.7Very high7 Ų718 Ų184%0.03710%0.101CC..Hα-helixtrans-58.6-51175.9-177.463.4000111.3T95 A99 T135 G136 H141 A142 E143 L178 I195 K196T95-L139 HydrophobicContact CG2-CD2 4.45Å; A99-L139 HydrophobicContact CB-CB 4.08Å; A99-L139 HydrophobicContact CB-CD2 3.87Å; A99-L139 HydrophobicContact CB-CG 3.97Å; T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.48Å; T135-L139 VanDerWaalsContact O-N 3.17Å; G136-L139 PolarHBondContact O-N 2.89Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.45Å; L139-A142 PolarHBondContact O-N 3.36Å; L139-E143 PolarHBondContact O-N 2.75Å; L139-E143 VanDerWaalsContact O-N 3.08Å; L139-L178 HydrophobicContact CB-CD2 4.24Å; L139-L178 HydrophobicContact CD1-CD2 4.49Å; L139-I195 HydrophobicContact CD2-CG2 4.49Å; L139-K196 WeakPolarHBondContact CD1-O 3.35Å
140G98.4Very high97.7Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-63.6-36.5176.800000113.5A99 G136 E143 A144A99-G140 VanDerWaalsContact O-CA 3.29Å; A99-G140 WeakPolarHBondContact O-CA 3.32Å; G136-G140 PolarHBondContact O-N 2.93Å; G140-E143 PolarHBondContact O-N 3.22Å; G140-A144 PolarHBondContact O-N 3.24Å
141H98.2Very high97.8Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-65.1-41.9173.9-173-175.3000110.9V102 M106 T137 I138 L139 E143 A144 K145 L148 H258 V302V102-H141 HydrophobicContact CG1-CB 4.48Å; M106-H141 WeakPolarHBondContact CE-CD2 3.34Å; T137-H141 VanDerWaalsContact O-CB 3.27Å; T137-H141 WeakPolarHBondContact O-CB 3.5Å; T137-H141 PolarHBondContact O-N 3.08Å; I138-H141 PolarHBondContact O-N 2.79Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.45Å; H141-E143 VanDerWaalsContact C-N 3.34Å; H141-E143 PolarHBondContact O-N 2.74Å; H141-A144 CarbonylContact O-C 3.58Å; H141-A144 PolarHBondContact O-N 2.77Å; H141-A144 VanDerWaalsContact O-N 3.14Å; H141-K145 PolarHBondContact O-N 2.96Å; H141-L148 HydrophobicContact CB-CD2 3.79Å; H141-L148 VanDerWaalsContact CG-CD2 3.49Å; H141-H258 AromaticContact CG-ND1 3.88Å; H141-H258 AromaticContact ND1-CG 3.61Å; H141-H258 AromaticContact ND1-ND1 3.11Å; H141-H258 PolarHBondContact ND1-ND1 3.28Å; H141-H258 VanDerWaalsContact ND1-ND1 3.11Å; H141-V302 HydrophobicContact CB-CG2 4.18Å; H141-V302 VanDerWaalsContact ND1-CG2 3.32Å; H141-V302 WeakPolarHBondContact ND1-CG2 3.48Å
142A98Very high97.8Very high9 Ų918 Ų187%0.07410%0.102CC..Hα-helixtrans-65.4-3517900000112.7I138 L139 A144 K145 P146 L148 C198I138-A142 WeakPolarHBondContact O-CB 3.33Å; I138-A142 PolarHBondContact O-N 2.66Å; L139-A142 PolarHBondContact O-N 3.36Å; A142-A144 VanDerWaalsContact C-N 3.28Å; A142-A144 PolarHBondContact O-N 2.65Å; A142-K145 CarbonylContact O-C 3.59Å; A142-K145 VanDerWaalsContact O-C 3.29Å; A142-K145 PolarHBondContact O-N 3.07Å; A142-P146 WeakPolarHBondContact O-CA 3.38Å; A142-P146 WeakPolarHBondContact O-CD 3.33Å; A142-P146 WeakPolarHBondContact O-CG 3.49Å; A142-P146 VanDerWaalsContact O-N 3.08Å; A142-L148 HydrophobicContact CB-CD2 3.93Å; A142-C198 HydrophobicContact CB-CB 3.61Å
143E97.2Very high97.8Very high100 Ų10017.7 Ų17.747%0.46710%0.099SC..Hα-helixtrans-63.8-33.8173.1-70.7-62.4156.600112.3E103 L139 G140 H141E103-E143 HydrophobicContact CB-CB 4.43Å; E103-E143 HydrophobicContact CG-CB 3.85Å; L139-E143 PolarHBondContact O-N 2.75Å; L139-E143 VanDerWaalsContact O-N 3.08Å; G140-E143 PolarHBondContact O-N 3.22Å; H141-E143 VanDerWaalsContact C-N 3.34Å; H141-E143 PolarHBondContact O-N 2.74Å
144A95.5Very high97.8Very high19 Ų1917.6 Ų17.616%0.15710%0.099CC..Hα-helixtrans-84.1-33.1175.700000113.5M106 K107 G140 H141 A142M106-A144 HydrophobicContact CB-CB 3.61Å; M106-A144 HydrophobicContact CG-CB 4.49Å; K107-A144 HydrophobicContact CG-CB 4.41Å; G140-A144 PolarHBondContact O-N 3.24Å; H141-A144 CarbonylContact O-C 3.58Å; H141-A144 PolarHBondContact O-N 2.77Å; H141-A144 VanDerWaalsContact O-N 3.14Å; A142-A144 VanDerWaalsContact C-N 3.28Å; A142-A144 PolarHBondContact O-N 2.65Å
145K95.1Very high97.8Very high40 Ų4017.6 Ų17.617%0.17410%0.099CC..  trans-142.783.8-176.4-61.7-169.4-177.6175.90110.6M106 H141 A142 D147 L148 A256 S301M106-K145 HydrophobicContact CE-CD 4.18Å; H141-K145 PolarHBondContact O-N 2.96Å; A142-K145 CarbonylContact O-C 3.59Å; A142-K145 VanDerWaalsContact O-C 3.29Å; A142-K145 PolarHBondContact O-N 3.07Å; K145-D147 PolarHBondContact O-N 2.76Å; K145-L148 PolarHBondContact O-N 3.04Å; K145-A256 HydrophobicContact CB-CB 4.27Å; K145-A256 HydrophobicContact CD-CB 3.57Å; K145-S301 PolarHBondContact NZ-OG 2.86Å
146P95.4Very high97.8Very high107 Ų10718.6 Ų18.670%0.69510%0.103SC*.THydrogen-bonded Turntrans-64.6-14.7-172.7-24.934.4000115.6A142A142-P146 WeakPolarHBondContact O-CA 3.38Å; A142-P146 WeakPolarHBondContact O-CD 3.33Å; A142-P146 WeakPolarHBondContact O-CG 3.49Å; A142-P146 VanDerWaalsContact O-N 3.08Å
147D93.2Very high97.8Very high83 Ų8318.6 Ų18.644%0.44410%0.103SC..THydrogen-bonded Turntrans-94.87.8-177.969.5-38.2000113.5K145 K255K145-D147 PolarHBondContact O-N 2.76Å; D147-K255 WeakPolarHBondContact O-CB 3.45Å; D147-K255 VanDerWaalsContact O-CD 3.24Å; D147-K255 WeakPolarHBondContact O-CD 3.41Å; D147-K255 WeakPolarHBondContact O-CG 3.28Å
148L97.9Very high97.8Very high3 Ų319 Ų192%0.01611%0.105CC..  trans-56.8154.4-176.676.485.1000113.6I138 H141 A142 K145 V150 L199 A256 H258I138-L148 HydrophobicContact CG2-CD1 4.48Å; H141-L148 HydrophobicContact CB-CD2 3.79Å; H141-L148 VanDerWaalsContact CG-CD2 3.49Å; A142-L148 HydrophobicContact CB-CD2 3.93Å; K145-L148 PolarHBondContact O-N 3.04Å; L148-V150 HydrophobicContact CD1-CG2 3.63Å; L148-L199 HydrophobicContact CD1-CD2 3.74Å; L148-A256 CarbonylContact C-O 3.58Å; L148-A256 VanDerWaalsContact CA-O 3.24Å; L148-A256 WeakPolarHBondContact CA-O 3.18Å; L148-A256 HydrophobicContact CB-CB 4.31Å; L148-H258 HydrophobicContact CD1-CB 4.24Å
149C98.6Very high97.8Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-118.5153.1163.858.20000110.8N203 V249 K255 A256 H258C149-N203 CarbonylContact C-O 3.56Å; C149-N203 WeakPolarHBondContact CA-O 3.35Å; C149-N203 WeakPolarHBondContact CB-O 3.18Å; C149-V249 HydrophobicContact CB-CB 3.79Å; C149-V249 HydrophobicContact CB-CG2 3.8Å; C149-K255 HydrophobicContact CB-CD 4.13Å; C149-A256 PolarHBondContact N-O 2.68Å; C149-A256 PolarHBondContact SG-O 3.1Å; C149-H258 PolarHBondContact O-N 2.99Å
150V98.8Very high97.8Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-110.9126.5-178.4-176.10000109.5I138 L148 W152 L199 N203 I204 A205 H258I138-V150 HydrophobicContact CD1-CG1 4.36Å; I138-V150 HydrophobicContact CD1-CG2 4.27Å; I138-V150 HydrophobicContact CG2-CG2 4.38Å; L148-V150 HydrophobicContact CD1-CG2 3.63Å; V150-W152 HydrophobicContact CG1-CB 4.48Å; V150-W152 HydrophobicContact CG1-CE3 4.02Å; V150-L199 HydrophobicContact CG2-CD1 3.89Å; V150-L199 HydrophobicContact CG2-CD2 3.85Å; V150-N203 PolarHBondContact N-O 3.1Å; V150-I204 HydrophobicContact CB-CG1 4.33Å; V150-I204 WeakPolarHBondContact O-CA 3.3Å; V150-A205 PolarHBondContact O-N 2.89Å; V150-H258 WeakPolarHBondContact CA-O 3.48Å; V150-H258 HydrophobicContact CG2-CB 4.3Å
151L98.9Very high97.7Very high2 Ų219 Ų191%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-101.3119.8159.8-64.9-178.7000107.1I153 A205 A245 L246 V249 I257 H258 L259 S260 V294L151-I153 HydrophobicContact CB-CD1 4.39Å; L151-A205 WeakPolarHBondContact CA-O 2.89Å; L151-A205 HydrophobicContact CD2-CB 3.93Å; L151-A245 HydrophobicContact CD2-CB 4.26Å; L151-L246 HydrophobicContact CD1-CD2 3.89Å; L151-V249 HydrophobicContact CD2-CG2 4.01Å; L151-I257 HydrophobicContact CD1-CG2 4.15Å; L151-I257 HydrophobicContact CG-CG2 4.24Å; L151-H258 PolarHBondContact N-O 2.93Å; L151-L259 HydrophobicContact CB-CD1 3.78Å; L151-L259 HydrophobicContact CD1-CD1 4.47Å; L151-S260 PolarHBondContact O-N 2.98Å; L151-V294 HydrophobicContact CD1-CG1 4.34Å; L151-V294 HydrophobicContact CD1-CG2 3.41Å; L151-V294 VanDerWaalsContact CD1-CG2 3.41Å
152W98.9Very high97.6Very high0 Ų019.3 Ų19.30%011%0.107CC..EExtended strand (participates in β ladder)trans-109.4108.7-178-164.7-78.4000108.9H131 A134 I138 V150 D154 D158 P174 L175 A205 Y206 I207H131-W152 AromaticContact CD2-CH2 3.8Å; H131-W152 AromaticContact CD2-CZ2 3.72Å; H131-W152 AromaticContact CE1-CE2 3.42Å; H131-W152 VanDerWaalsContact CE1-CE2 3.42Å; H131-W152 AromaticContact CE1-CH2 3.91Å; H131-W152 AromaticContact CE1-CZ2 3.17Å; H131-W152 WeakPolarHBondContact CE1-CZ2 3.49Å; H131-W152 AromaticContact CE1-NE1 3.61Å; H131-W152 AromaticContact CG-CZ2 3.93Å; H131-W152 AromaticContact ND1-CZ2 3.6Å; H131-W152 AromaticContact NE2-CE2 3.76Å; H131-W152 AromaticContact NE2-CH2 3.48Å; H131-W152 WeakPolarHBondContact NE2-CH2 3.25Å; H131-W152 AromaticContact NE2-CZ2 3.24Å; H131-W152 WeakPolarHBondContact NE2-CZ2 3.39Å; A134-W152 HydrophobicContact CB-CH2 3.5Å; A134-W152 HydrophobicContact CB-CZ3 3.81Å; I138-W152 HydrophobicContact CD1-CE3 4.49Å; I138-W152 HydrophobicContact CD1-CZ3 3.87Å; V150-W152 HydrophobicContact CG1-CB 4.48Å; V150-W152 HydrophobicContact CG1-CE3 4.02Å; W152-D154 PolarHBondContact NE1-OD2 3.4Å; W152-D158 HydrophobicContact CH2-CB 4.47Å; W152-D158 HydrophobicContact CZ2-CB 3.52Å; W152-P174 HydrophobicContact CH2-CB 4.33Å; W152-P174 HydrophobicContact CH2-CG 3.69Å; W152-P174 HydrophobicContact CZ2-CG 3.99Å; W152-L175 HydrophobicContact CD2-CD1 3.67Å; W152-L175 HydrophobicContact CD2-CG 4.29Å; W152-L175 HydrophobicContact CE3-CD1 3.61Å; W152-L175 HydrophobicContact CE3-CD2 3.75Å; W152-L175 HydrophobicContact CE3-CG 3.81Å; W152-L175 HydrophobicContact CG-CD1 4.22Å; W152-L175 HydrophobicContact CH2-CD1 4.2Å; W152-L175 HydrophobicContact CH2-CD2 4.32Å; W152-L175 HydrophobicContact CH2-CG 3.84Å; W152-L175 HydrophobicContact CZ2-CD1 4.26Å; W152-L175 HydrophobicContact CZ2-CG 4.32Å; W152-L175 HydrophobicContact CZ3-CD1 3.89Å; W152-L175 HydrophobicContact CZ3-CD2 3.57Å; W152-L175 HydrophobicContact CZ3-CG 3.56Å; W152-A205 PolarHBondContact N-O 2.92Å; W152-Y206 HydrophobicContact CB-CD1 3.6Å; W152-Y206 HydrophobicContact CB-CE1 3.8Å; W152-Y206 HydrophobicContact CB-CG 4.46Å; W152-Y206 AromaticContact CD1-CD1 3.49Å; W152-Y206 VanDerWaalsContact CD1-CD1 3.49Å; W152-Y206 AromaticContact CD1-CE1 3.46Å; W152-Y206 VanDerWaalsContact CD1-CE1 3.46Å; W152-Y206 HydrophobicContact CD2-CE1 4.34Å; W152-Y206 AromaticContact CG-CD1 3.72Å; W152-Y206 HydrophobicContact CG-CD1 3.72Å; W152-Y206 AromaticContact CG-CE1 3.58Å; W152-Y206 HydrophobicContact CG-CE1 3.58Å; W152-Y206 CarbonylContact O-C 3.2Å; W152-Y206 VanDerWaalsContact O-CA 3.26Å; W152-Y206 WeakPolarHBondContact O-CA 3.4Å; W152-I207 PolarHBondContact O-N 2.93Å
153I98.9Very high97.4Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-103.6105.4-175.6-42.4-57.6000107.4L151 I207 L259 S260 F261 D262 A265 L282 I290L151-I153 HydrophobicContact CB-CD1 4.39Å; I153-I207 WeakPolarHBondContact CA-O 3.48Å; I153-I207 HydrophobicContact CD1-CB 3.77Å; I153-I207 HydrophobicContact CD1-CD1 3.88Å; I153-I207 HydrophobicContact CD1-CG1 4.07Å; I153-L259 HydrophobicContact CD1-CD1 3.99Å; I153-L259 HydrophobicContact CG1-CD1 3.55Å; I153-S260 PolarHBondContact N-O 3.27Å; I153-F261 HydrophobicContact CB-CD2 3.85Å; I153-F261 HydrophobicContact CB-CE2 4.11Å; I153-F261 HydrophobicContact CB-CG 4.12Å; I153-F261 HydrophobicContact CG1-CD2 3.93Å; I153-F261 HydrophobicContact CG1-CE2 4.35Å; I153-F261 HydrophobicContact CG2-CD2 3.99Å; I153-F261 HydrophobicContact CG2-CE1 4.44Å; I153-F261 HydrophobicContact CG2-CE2 3.71Å; I153-F261 HydrophobicContact CG2-CG 4.48Å; I153-F261 HydrophobicContact CG2-CZ 3.94Å; I153-D262 PolarHBondContact O-N 2.97Å; I153-A265 HydrophobicContact CG2-CB 3.82Å; I153-A265 WeakPolarHBondContact O-CB 3.26Å; I153-L282 HydrophobicContact CG2-CD1 3.79Å; I153-I290 HydrophobicContact CD1-CD1 4.39Å; I153-I290 HydrophobicContact CD1-CG2 3.85Å; I153-I290 HydrophobicContact CG1-CG2 4.21Å; I153-I290 HydrophobicContact CG2-CD1 3.93Å
154D98.9Very high97.3Very high0 Ų021 Ų210%012%0.118CC..  trans-161154.2-165.1-155.8-40.9000111.2H131 W152 H156 I207 G208 L209 D262H131-D154 IonicContact CE1-OD2 3.35Å; H131-D154 PolarHBondContact CE1-OD2 3.18Å; H131-D154 VanDerWaalsContact CE1-OD2 3.28Å; H131-D154 IonicContact ND1-OD2 3.95Å; H131-D154 PolarHBondContact ND1-OD2 2.98Å; W152-D154 PolarHBondContact NE1-OD2 3.4Å; D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 WeakPolarHBondContact OD1-CB 3.38Å; D154-H156 IonicContact OD1-CG 3.66Å; D154-H156 PolarHBondContact OD1-N 3.4Å; D154-H156 IonicContact OD1-ND1 2.74Å; D154-H156 PolarHBondContact OD1-ND1 2.75Å; D154-H156 VanDerWaalsContact OD1-ND1 3.12Å; D154-I207 PolarHBondContact N-O 3.3Å; D154-I207 VanDerWaalsContact N-O 3.07Å; D154-G208 CarbonylContact O-C 3.59Å; D154-G208 WeakPolarHBondContact O-CA 3.11Å; D154-L209 PolarHBondContact O-N 3.16Å; D154-L209 VanDerWaalsContact O-N 3.15Å; D154-D262 HydrophobicContact CB-CB 4.16Å; D154-D262 WeakPolarHBondContact OD2-CB 3.37Å
155A98.8Very high97.3Very high0 Ų021 Ų210%012%0.116CC..SBendtrans-74.6-25.1165.400000112.5L209 R210 D211 V278A155-L209 WeakPolarHBondContact O-CA 3.27Å; A155-R210 HydrophobicContact CB-CG 4.02Å; A155-R210 VanDerWaalsContact CB-CZ 3.48Å; A155-R210 PolarHBondContact O-N 2.91Å; A155-D211 PolarHBondContact O-N 2.74Å; A155-V278 HydrophobicContact CB-CB 4.24Å; A155-V278 HydrophobicContact CB-CG2 4Å
156H98.8Very high97.3Very high21 Ų2123.8 Ų23.810%0.09715%0.147CC..SBendtrans-113.8165.2-169.1-46.594.8000112.9D154 L209 D211 D264 T276D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 WeakPolarHBondContact OD1-CB 3.38Å; D154-H156 IonicContact OD1-CG 3.66Å; D154-H156 PolarHBondContact OD1-N 3.4Å; D154-H156 IonicContact OD1-ND1 2.74Å; D154-H156 PolarHBondContact OD1-ND1 2.75Å; D154-H156 VanDerWaalsContact OD1-ND1 3.12Å; H156-L209 WeakPolarHBondContact O-CD2 3.13Å; H156-D211 WeakPolarHBondContact CA-O 3.47Å; H156-D264 IonicContact CE1-OD1 3.48Å; H156-D264 IonicContact CE1-OD2 3.34Å; H156-D264 PolarHBondContact CE1-OD2 3.22Å; H156-D264 IonicContact ND1-OD1 3.12Å; H156-D264 PolarHBondContact ND1-OD1 3.01Å; H156-D264 IonicContact ND1-OD2 3.64Å; H156-D264 PolarHBondContact ND1-OD2 3.28Å; H156-T276 VanDerWaalsContact CE1-CB 3.47Å; H156-T276 WeakPolarHBondContact CE1-CB 3.46Å; H156-T276 PolarHBondContact CE1-O 2.75Å; H156-T276 VanDerWaalsContact CE1-O 3.27Å
157G98.2Very high97.3Very high0 Ų021.2 Ų21.20%013%0.132CC..  trans-83.4-29.1179.100000113.7I159 Y206 E216G157-I159 WeakPolarHBondContact O-CB 3.48Å; G157-I159 PolarHBondContact O-N 3.33Å; G157-Y206 WeakPolarHBondContact O-CE1 3.38Å; G157-Y206 PolarHBondContact O-OH 2.81Å; G157-E216 WeakPolarHBondContact CA-OE1 3.2Å
158D98.6Very high97.5Very high8 Ų817.4 Ų17.44%0.04311%0.112CC..  trans46.631.9-177.5-75.56.9000114.3H131 W152 H171 G172 M173 P174 L175 E216H131-D158 IonicContact CE1-OD2 2.99Å; H131-D158 IonicContact CG-OD2 3.79Å; H131-D158 IonicContact ND1-OD2 3.41Å; H131-D158 PolarHBondContact ND1-OD2 2.95Å; W152-D158 HydrophobicContact CH2-CB 4.47Å; W152-D158 HydrophobicContact CZ2-CB 3.52Å; D158-H171 VanDerWaalsContact CG-O 3.25Å; D158-G172 CarbonylContact C-O 3.54Å; D158-G172 VanDerWaalsContact C-O 3.3Å; D158-G172 WeakPolarHBondContact CA-O 3.29Å; D158-M173 CarbonylContact O-C 2.92Å; D158-P174 HydrophobicContact CB-CG 3.93Å; D158-P174 VanDerWaalsContact O-CD 3.26Å; D158-P174 WeakPolarHBondContact O-CD 3.43Å; D158-L175 PolarHBondContact O-N 3.47Å; D158-L175 VanDerWaalsContact O-N 3.13Å; D158-E216 PolarHBondContact N-OE1 2.94Å
159I98.6Very high97.5Very high0 Ų018.3 Ų18.30%012%0.117CC..  trans-128.611.7-171.1-159.8163.8000112G157 T161 G172 L175 V179 L182 E216 I220 I225G157-I159 WeakPolarHBondContact O-CB 3.48Å; G157-I159 PolarHBondContact O-N 3.33Å; I159-T161 PolarHBondContact O-N 2.9Å; I159-G172 PolarHBondContact N-O 3.32Å; I159-L175 HydrophobicContact CB-CB 4.28Å; I159-L175 HydrophobicContact CD1-CB 4.32Å; I159-L175 HydrophobicContact CG1-CB 4.08Å; I159-V179 HydrophobicContact CD1-CG2 4.43Å; I159-L182 HydrophobicContact CD1-CD1 3.74Å; I159-L182 HydrophobicContact CG1-CD1 3.5Å; I159-E216 HydrophobicContact CG2-CB 3.84Å; I159-E216 HydrophobicContact CG2-CG 3.82Å; I159-E216 PolarHBondContact N-OE1 3.29Å; I159-I220 HydrophobicContact CG2-CD1 4.45Å; I159-I220 HydrophobicContact CG2-CG1 4.33Å; I159-I225 HydrophobicContact CD1-CD1 3.46Å; I159-I225 VanDerWaalsContact CD1-CD1 3.46Å
160N98.4Very high97.5Very high7 Ų718.3 Ų18.34%0.03712%0.117CC..  trans-56.8141.8167.9-81.7-67.6000110G172 M173 S176 D213 E216N160-G172 WeakPolarHBondContact CB-O 3.24Å; N160-G172 PolarHBondContact N-O 3.27Å; N160-G172 VanDerWaalsContact N-O 3.12Å; N160-M173 HydrophobicContact CB-CG 4.19Å; N160-M173 VanDerWaalsContact O-CA 3.3Å; N160-M173 WeakPolarHBondContact O-CA 3.17Å; N160-M173 WeakPolarHBondContact O-CB 3.48Å; N160-M173 WeakPolarHBondContact O-CG 3.44Å; N160-S176 VanDerWaalsContact O-CB 3.27Å; N160-S176 WeakPolarHBondContact O-CB 3.37Å; N160-S176 PolarHBondContact O-OG 3.18Å; N160-D213 PolarHBondContact ND2-OD2 2.96Å; N160-E216 VanDerWaalsContact ND2-CD 3.34Å; N160-E216 PolarHBondContact ND2-OE1 2.89Å
161T97.2Very high97.5Very high0 Ų019.3 Ų19.30%012%0.122CC..  trans-89.9160.3170.466.40000109I159 L163 N164 S165 Q185 I186I159-T161 PolarHBondContact O-N 2.9Å; T161-L163 PolarHBondContact O-N 3.04Å; T161-N164 PolarHBondContact O-N 3.13Å; T161-N164 VanDerWaalsContact OG1-CG 3.3Å; T161-N164 PolarHBondContact OG1-N 3.06Å; T161-N164 PolarHBondContact OG1-ND2 2.93Å; T161-S165 PolarHBondContact O-N 3.21Å; T161-Q185 HydrophobicContact CG2-CB 3.61Å; T161-Q185 HydrophobicContact CG2-CG 4.43Å; T161-I186 HydrophobicContact CG2-CD1 4.29Å
162P96.1Very high97.4Very high6 Ų619.7 Ų19.74%0.03913%0.126CC..THydrogen-bonded Turntrans-52.7-30.1174.2-32.941.6000114F83 M85 M173 F177 I186 P187F83-P162 HydrophobicContact CB-CB 4.44Å; M85-P162 HydrophobicContact CE-CB 3.97Å; M85-P162 HydrophobicContact CE-CG 4.08Å; M85-P162 HydrophobicContact CG-CB 3.71Å; M85-P162 HydrophobicContact CG-CG 3.97Å; M85-P162 HydrophobicContact SD-CB 3.64Å; M85-P162 HydrophobicContact SD-CG 3.35Å; M85-P162 WeakPolarHBondContact SD-CG 3.34Å; P162-M173 HydrophobicContact CG-SD 4.33Å; P162-F177 HydrophobicContact CG-CE1 4.14Å; P162-F177 HydrophobicContact CG-CZ 3.88Å; P162-I186 HydrophobicContact CG-CD1 4.5Å; P162-P187 HydrophobicContact CB-CG 3.94Å; P162-P187 HydrophobicContact CG-CG 4.25Å
163L94Very high97.4Very high103 Ų10319.8 Ų19.854%0.53913%0.126SC..THydrogen-bonded Turntrans-81.6-22-178.2-56.8-178.3000113.6F83 T161 Q185F83-L163 HydrophobicContact CD1-CD2 4.39Å; T161-L163 PolarHBondContact O-N 3.04Å; L163-Q185 WeakPolarHBondContact CD1-O 3.27Å
164N94.1Very high97.4Very high42 Ų4219.8 Ų19.823%0.22513%0.127CC..THydrogen-bonded Turntrans-111.1-18.9-172.7-61.6-16.6000113.1T161 A166 Q185 H215T161-N164 PolarHBondContact O-N 3.13Å; T161-N164 VanDerWaalsContact OG1-CG 3.3Å; T161-N164 PolarHBondContact OG1-N 3.06Å; T161-N164 PolarHBondContact OG1-ND2 2.93Å; N164-A166 PolarHBondContact O-N 2.96Å; N164-Q185 PolarHBondContact ND2-OE1 3.13Å; N164-H215 HydrophobicContact CB-CB 3.87Å
165S96.4Very high97.4Very high18 Ų1819.8 Ų19.813%0.12613%0.127CC..  trans-64.8122.7178.8-177.50000111.9T161 S167 G168 M173T161-S165 PolarHBondContact O-N 3.21Å; S165-S167 PolarHBondContact OG-N 3.46Å; S165-S167 PolarHBondContact OG-OG 2.98Å; S165-G168 PolarHBondContact OG-N 2.86Å; S165-M173 VanDerWaalsContact OG-CE 3.27Å; S165-M173 WeakPolarHBondContact OG-CE 3.24Å
166A94.3Very high97.3Very high100 Ų10019.8 Ų19.883%0.82613%0.127SC*.SBendtrans-74.9-25.4174.700000113.2N164N164-A166 PolarHBondContact O-N 2.96Å
167S96.7Very high97.3Very high53 Ų5319 Ų1937%0.37112%0.123SC..SBendtrans-94.1-27.2-173.470.50000113.3K86 S165 N169K86-S167 WeakPolarHBondContact CE-O 3.35Å; K86-S167 PolarHBondContact NZ-O 3.16Å; S165-S167 PolarHBondContact OG-N 3.46Å; S165-S167 PolarHBondContact OG-OG 2.98Å; S167-N169 PolarHBondContact O-N 3.22Å; S167-N169 PolarHBondContact O-OD1 2.83Å; S167-N169 WeakPolarHBondContact OG-CB 3.38Å; S167-N169 PolarHBondContact OG-N 2.75Å; S167-N169 VanDerWaalsContact OG-N 3.16Å
168G97Very high97.3Very high3 Ų319 Ų193%0.03112%0.123CC..  trans70.56.8-171.100000114.1G84 K86 S165 M173G84-G168 WeakPolarHBondContact O-CA 3.24Å; K86-G168 PolarHBondContact N-O 2.98Å; S165-G168 PolarHBondContact OG-N 2.86Å; G168-M173 VanDerWaalsContact C-CE 3.45Å
169N98Very high97.3Very high21 Ų2118.7 Ų18.711%0.11212%0.121CC..  trans-81.1125.3-178.2-65.1-11.5000109.8G34 K86 S167 H171 G172 M173G34-N169 CarbonylContact O-C 3.59Å; G34-N169 VanDerWaalsContact O-C 3.27Å; G34-N169 WeakPolarHBondContact O-CA 3.29Å; G34-N169 VanDerWaalsContact O-CB 3.26Å; G34-N169 WeakPolarHBondContact O-CB 3.47Å; K86-N169 PolarHBondContact NZ-OD1 2.74Å; S167-N169 PolarHBondContact O-N 3.22Å; S167-N169 PolarHBondContact O-OD1 2.83Å; S167-N169 WeakPolarHBondContact OG-CB 3.38Å; S167-N169 PolarHBondContact OG-N 2.75Å; S167-N169 VanDerWaalsContact OG-N 3.16Å; N169-H171 VanDerWaalsContact C-N 3.27Å; N169-H171 PolarHBondContact O-N 3.25Å; N169-G172 PolarHBondContact O-N 3.22Å; N169-M173 WeakPolarHBondContact O-CE 3.23Å
170M98.1Very high97.3Very high0 Ų023.3 Ų23.30%014%0.141CC..G310 helixtrans-67.6-24.1-174.4-55.4-56.9-67.500113.9G34 M85 K86 F91 G172 M173 P174 F177 F192G34-M170 PolarHBondContact O-N 2.92Å; M85-M170 HydrophobicContact CB-SD 3.64Å; M85-M170 HydrophobicContact CG-CE 4.34Å; M85-M170 HydrophobicContact CG-SD 3.78Å; M85-M170 HydrophobicContact SD-CE 3.87Å; M85-M170 HydrophobicContact SD-SD 4.1Å; K86-M170 WeakPolarHBondContact O-CG 3.46Å; F91-M170 HydrophobicContact CB-CE 4.15Å; F91-M170 HydrophobicContact CB-CG 4.09Å; F91-M170 HydrophobicContact CD1-CE 3.31Å; F91-M170 HydrophobicContact CD2-CB 3.93Å; F91-M170 HydrophobicContact CD2-CE 4.14Å; F91-M170 HydrophobicContact CD2-CG 4.38Å; F91-M170 HydrophobicContact CE1-CE 3.57Å; F91-M170 HydrophobicContact CE2-CB 4.37Å; F91-M170 HydrophobicContact CE2-CE 4.34Å; F91-M170 HydrophobicContact CG-CB 4.26Å; F91-M170 HydrophobicContact CG-CE 3.61Å; F91-M170 HydrophobicContact CG-CG 4.2Å; F91-M170 HydrophobicContact CZ-CE 4.08Å; M170-G172 PolarHBondContact O-N 3.26Å; M170-M173 PolarHBondContact O-N 2.76Å; M170-M173 VanDerWaalsContact O-N 3.1Å; M170-M173 HydrophobicContact SD-CE 4.43Å; M170-M173 HydrophobicContact SD-SD 4.42Å; M170-P174 WeakPolarHBondContact O-CD 3.33Å; M170-F177 HydrophobicContact CE-CE2 3.7Å; M170-F177 HydrophobicContact CE-CZ 3.65Å; M170-F192 HydrophobicContact CE-CZ 4.41Å
171H98.3Very high97.3Very high22 Ų2226 Ų2610%0.10215%0.154CC..G310 helixtrans-66.1-22.8179.479.5148.5000113.3G34 Q35 D130 H131 D158 N169 M173 P174 E307G34-H171 PolarHBondContact O-CD2 2.73Å; G34-H171 PolarHBondContact O-N 3.31Å; Q35-H171 HydrophobicContact CB-CB 4.41Å; D130-H171 HydrophobicContact CB-CB 4.23Å; H131-H171 HydrophobicContact CB-CB 4.34Å; D158-H171 VanDerWaalsContact CG-O 3.25Å; N169-H171 VanDerWaalsContact C-N 3.27Å; N169-H171 PolarHBondContact O-N 3.25Å; H171-M173 VanDerWaalsContact C-N 3.32Å; H171-P174 WeakPolarHBondContact O-CD 3.45Å; H171-E307 IonicContact CE1-OE1 2.87Å; H171-E307 IonicContact CG-OE1 3.05Å; H171-E307 IonicContact ND1-OE1 3.68Å; H171-E307 PolarHBondContact ND1-OE1 3.42Å
172G98.4Very high97.3Very high10 Ų1026 Ų2610%0.10315%0.154CC..G310 helixtrans-91.310.4174.800000113.8D158 I159 N160 N169 M170D158-G172 CarbonylContact C-O 3.54Å; D158-G172 VanDerWaalsContact C-O 3.3Å; D158-G172 WeakPolarHBondContact CA-O 3.29Å; I159-G172 PolarHBondContact N-O 3.32Å; N160-G172 WeakPolarHBondContact CB-O 3.24Å; N160-G172 PolarHBondContact N-O 3.27Å; N160-G172 VanDerWaalsContact N-O 3.12Å; N169-G172 PolarHBondContact O-N 3.22Å; M170-G172 PolarHBondContact O-N 3.26Å
173M98.4Very high97.3Very high1 Ų128.6 Ų28.61%0.00517%0.165CC..  trans-124.8-0.6-178.9-51.3-171.5-147.100116.5M85 D158 N160 P162 S165 G168 N169 M170 H171 L175 S176 F177M85-M173 HydrophobicContact CG-CE 4.36Å; M85-M173 HydrophobicContact CG-SD 4.19Å; D158-M173 CarbonylContact O-C 2.92Å; N160-M173 HydrophobicContact CB-CG 4.19Å; N160-M173 VanDerWaalsContact O-CA 3.3Å; N160-M173 WeakPolarHBondContact O-CA 3.17Å; N160-M173 WeakPolarHBondContact O-CB 3.48Å; N160-M173 WeakPolarHBondContact O-CG 3.44Å; P162-M173 HydrophobicContact CG-SD 4.33Å; S165-M173 VanDerWaalsContact OG-CE 3.27Å; S165-M173 WeakPolarHBondContact OG-CE 3.24Å; G168-M173 VanDerWaalsContact C-CE 3.45Å; N169-M173 WeakPolarHBondContact O-CE 3.23Å; M170-M173 PolarHBondContact O-N 2.76Å; M170-M173 VanDerWaalsContact O-N 3.1Å; M170-M173 HydrophobicContact SD-CE 4.43Å; M170-M173 HydrophobicContact SD-SD 4.42Å; H171-M173 VanDerWaalsContact C-N 3.32Å; M173-L175 VanDerWaalsContact C-N 3.28Å; M173-L175 PolarHBondContact O-N 3.18Å; M173-L175 VanDerWaalsContact O-N 3.13Å; M173-S176 PolarHBondContact O-N 3.17Å; M173-S176 VanDerWaalsContact O-N 3.11Å; M173-S176 PolarHBondContact O-OG 2.91Å; M173-F177 HydrophobicContact CB-CD2 4.5Å; M173-F177 HydrophobicContact CB-CE2 3.83Å; M173-F177 VanDerWaalsContact O-CD2 3.29Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å
174P98.5Very high97.3Very high1 Ų129.5 Ų29.51%0.00617%0.171CC..THydrogen-bonded Turntrans-60.1-34.9-163.824.2-36000114.1A134 T135 W152 D158 M170 H171A134-P174 HydrophobicContact CB-CB 4.09Å; A134-P174 HydrophobicContact CB-CG 4.45Å; T135-P174 WeakPolarHBondContact OG1-CA 3.44Å; T135-P174 VanDerWaalsContact OG1-CB 3.26Å; T135-P174 WeakPolarHBondContact OG1-CB 3.48Å; T135-P174 PolarHBondContact OG1-O 3.1Å; W152-P174 HydrophobicContact CH2-CB 4.33Å; W152-P174 HydrophobicContact CH2-CG 3.69Å; W152-P174 HydrophobicContact CZ2-CG 3.99Å; D158-P174 HydrophobicContact CB-CG 3.93Å; D158-P174 VanDerWaalsContact O-CD 3.26Å; D158-P174 WeakPolarHBondContact O-CD 3.43Å; M170-P174 WeakPolarHBondContact O-CD 3.33Å; H171-P174 WeakPolarHBondContact O-CD 3.45Å
175L98.5Very high97.3Very high0 Ų028.9 Ų28.90%017%0.167CC..THydrogen-bonded Turntrans-73.8-32.1-179.1-75.7173.8000113I138 W152 D158 I159 M173 F177 L178 V179 L199 I204 Y206I138-L175 HydrophobicContact CD1-CD2 4.18Å; W152-L175 HydrophobicContact CD2-CD1 3.67Å; W152-L175 HydrophobicContact CD2-CG 4.29Å; W152-L175 HydrophobicContact CE3-CD1 3.61Å; W152-L175 HydrophobicContact CE3-CD2 3.75Å; W152-L175 HydrophobicContact CE3-CG 3.81Å; W152-L175 HydrophobicContact CG-CD1 4.22Å; W152-L175 HydrophobicContact CH2-CD1 4.2Å; W152-L175 HydrophobicContact CH2-CD2 4.32Å; W152-L175 HydrophobicContact CH2-CG 3.84Å; W152-L175 HydrophobicContact CZ2-CD1 4.26Å; W152-L175 HydrophobicContact CZ2-CG 4.32Å; W152-L175 HydrophobicContact CZ3-CD1 3.89Å; W152-L175 HydrophobicContact CZ3-CD2 3.57Å; W152-L175 HydrophobicContact CZ3-CG 3.56Å; D158-L175 PolarHBondContact O-N 3.47Å; D158-L175 VanDerWaalsContact O-N 3.13Å; I159-L175 HydrophobicContact CB-CB 4.28Å; I159-L175 HydrophobicContact CD1-CB 4.32Å; I159-L175 HydrophobicContact CG1-CB 4.08Å; M173-L175 VanDerWaalsContact C-N 3.28Å; M173-L175 PolarHBondContact O-N 3.18Å; M173-L175 VanDerWaalsContact O-N 3.13Å; L175-F177 PolarHBondContact O-N 3.07Å; L175-L178 PolarHBondContact O-N 3.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.27Å; L175-V179 PolarHBondContact O-N 2.87Å; L175-L199 HydrophobicContact CD2-CD1 4.06Å; L175-I204 HydrophobicContact CD2-CD1 4.3Å; L175-Y206 HydrophobicContact CD1-CE1 3.78Å; L175-Y206 WeakPolarHBondContact CD1-OH 3.37Å
176S97.9Very high97.3Very high0 Ų029.4 Ų29.40%017%0.168CC..THydrogen-bonded Turntrans-62.6-31.7-176.172.70000112.3N160 M173 L178 Q183N160-S176 VanDerWaalsContact O-CB 3.27Å; N160-S176 WeakPolarHBondContact O-CB 3.37Å; N160-S176 PolarHBondContact O-OG 3.18Å; M173-S176 PolarHBondContact O-N 3.17Å; M173-S176 VanDerWaalsContact O-N 3.11Å; M173-S176 PolarHBondContact O-OG 2.91Å; S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 2.94Å; S176-Q183 PolarHBondContact O-NE2 2.97Å
177F98.1Very high97.3Very high5 Ų525.4 Ų25.42%0.02213%0.133CC..THydrogen-bonded Turntrans-67.4-24.5174-65.7-73.2000113.9M85 F91 T135 P162 M170 M173 L175 Q183 I186 F192 I195M85-F177 HydrophobicContact SD-CE1 4.46Å; M85-F177 HydrophobicContact SD-CZ 3.9Å; F91-F177 AromaticContact CE1-CD2 3.89Å; F91-F177 HydrophobicContact CE1-CD2 3.89Å; F91-F177 AromaticContact CE1-CE2 3.73Å; F91-F177 HydrophobicContact CE1-CE2 3.73Å; F91-F177 HydrophobicContact CE1-CG 4.36Å; F91-F177 HydrophobicContact CE1-CZ 4.07Å; F91-F177 AromaticContact CZ-CD2 3.73Å; F91-F177 HydrophobicContact CZ-CD2 3.73Å; F91-F177 AromaticContact CZ-CE2 3.81Å; F91-F177 HydrophobicContact CZ-CE2 3.81Å; F91-F177 HydrophobicContact CZ-CG 4.44Å; T135-F177 HydrophobicContact CG2-CB 3.94Å; P162-F177 HydrophobicContact CG-CE1 4.14Å; P162-F177 HydrophobicContact CG-CZ 3.88Å; M170-F177 HydrophobicContact CE-CE2 3.7Å; M170-F177 HydrophobicContact CE-CZ 3.65Å; M173-F177 HydrophobicContact CB-CD2 4.5Å; M173-F177 HydrophobicContact CB-CE2 3.83Å; M173-F177 VanDerWaalsContact O-CD2 3.29Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; L175-F177 PolarHBondContact O-N 3.07Å; F177-Q183 PolarHBondContact O-NE2 3.11Å; F177-I186 HydrophobicContact CD1-CD1 4.44Å; F177-I186 HydrophobicContact CD1-CG2 4.07Å; F177-I186 HydrophobicContact CE1-CG2 4.1Å; F177-F192 HydrophobicContact CD1-CE2 4.36Å; F177-F192 HydrophobicContact CE1-CD2 4.04Å; F177-F192 HydrophobicContact CE1-CE1 4.46Å; F177-F192 AromaticContact CE1-CE2 3.45Å; F177-F192 HydrophobicContact CE1-CE2 3.45Å; F177-F192 VanDerWaalsContact CE1-CE2 3.45Å; F177-F192 AromaticContact CE1-CZ 3.71Å; F177-F192 HydrophobicContact CE1-CZ 3.71Å; F177-F192 HydrophobicContact CZ-CE2 4.07Å; F177-F192 AromaticContact CZ-CZ 3.97Å; F177-F192 HydrophobicContact CZ-CZ 3.97Å; F177-I195 HydrophobicContact CB-CG2 4.13Å
178L98.5Very high97.2Very high0 Ų032.3 Ų32.30%015%0.151CC..THydrogen-bonded Turntrans-104-22.6-173.1-60.6-178.7000114.1T135 I138 L139 L175 S176 I195 P197 C198 L199T135-L178 HydrophobicContact CG2-CD2 3.91Å; T135-L178 HydrophobicContact CG2-CG 4.08Å; I138-L178 HydrophobicContact CB-CD1 3.54Å; I138-L178 HydrophobicContact CD1-CD1 4.12Å; I138-L178 HydrophobicContact CG1-CD1 4.41Å; I138-L178 HydrophobicContact CG2-CD1 3.62Å; L139-L178 HydrophobicContact CB-CD2 4.24Å; L139-L178 HydrophobicContact CD1-CD2 4.49Å; L175-L178 PolarHBondContact O-N 3.3Å; S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 2.94Å; L178-I195 HydrophobicContact CD2-CG2 4.27Å; L178-P197 CarbonylContact O-C 3.23Å; L178-P197 WeakPolarHBondContact O-CA 2.95Å; L178-C198 PolarHBondContact O-N 3.44Å; L178-L199 HydrophobicContact CB-CD1 4.1Å; L178-L199 HydrophobicContact CB-CG 4.24Å; L178-L199 HydrophobicContact CD1-CD1 4.5Å; L178-L199 PolarHBondContact O-N 3.46Å
179V98.4Very high97Very high0 Ų033 Ų330%015%0.154CC..BIsolated β-bridgetrans-79.9119.2-177.7175.10000110.4I159 L175 E181 L182 Q183 L199 A201 I204I159-V179 HydrophobicContact CD1-CG2 4.43Å; L175-V179 WeakPolarHBondContact O-CG2 3.27Å; L175-V179 PolarHBondContact O-N 2.87Å; V179-E181 HydrophobicContact CG1-CB 4.24Å; V179-E181 WeakPolarHBondContact CG1-OE2 3.47Å; V179-E181 PolarHBondContact O-N 2.92Å; V179-L182 HydrophobicContact CB-CB 4.44Å; V179-L182 HydrophobicContact CB-CD1 4.06Å; V179-L182 HydrophobicContact CB-CG 4.23Å; V179-L182 HydrophobicContact CG1-CB 4.45Å; V179-L182 HydrophobicContact CG1-CD1 4.13Å; V179-L182 HydrophobicContact CG1-CG 3.94Å; V179-L182 PolarHBondContact O-N 3.31Å; V179-Q183 PolarHBondContact O-NE2 3.22Å; V179-L199 HydrophobicContact CG2-CB 4.48Å; V179-A201 HydrophobicContact CG1-CB 4.48Å; V179-I204 HydrophobicContact CG2-CD1 3.47Å; V179-I204 VanDerWaalsContact CG2-CD1 3.47Å
180K98.1Very high96.8Very high97 Ų9737 Ų3742%0.42218%0.176SC..G310 helixtrans-59.7-34.1-178.1-73.1167.4-171.21730113.1L182 Q183 P197 L199 N200K180-L182 PolarHBondContact O-N 3.27Å; K180-Q183 WeakPolarHBondContact O-CG 3.3Å; K180-P197 WeakPolarHBondContact CE-O 3.03Å; K180-P197 HydrophobicContact CG-CB 3.81Å; K180-L199 WeakPolarHBondContact CB-O 3.41Å; K180-L199 VanDerWaalsContact CG-O 3.29Å; K180-L199 WeakPolarHBondContact CG-O 3.21Å; K180-L199 PolarHBondContact N-O 3.22Å; K180-N200 WeakPolarHBondContact CD-OD1 3.41Å
181E98Very high96.6Very high64 Ų6438.1 Ų38.130%0.29918%0.181SC..G310 helixtrans-75.6-8.3-177.7-61.287.8159.200114.2V179 A201 H223V179-E181 HydrophobicContact CG1-CB 4.24Å; V179-E181 WeakPolarHBondContact CG1-OE2 3.47Å; V179-E181 PolarHBondContact O-N 2.92Å; E181-A201 VanDerWaalsContact CD-N 3.31Å; E181-A201 HydrophobicContact CG-CB 4.41Å; E181-A201 PolarHBondContact OE1-N 2.98Å; E181-A201 PolarHBondContact OE2-N 3.11Å; E181-H223 HydrophobicContact CB-CB 4.44Å; E181-H223 WeakPolarHBondContact CB-ND1 2.97Å; E181-H223 PolarHBondContact O-CE1 3.49Å
182L97.4Very high96.4Very high1 Ų137.8 Ų37.81%0.00518%0.18CC..G310 helixtrans-105.91.7179.4-65.2178.6000113.9I159 V179 K180 D184 Q185 D219I159-L182 HydrophobicContact CD1-CD1 3.74Å; I159-L182 HydrophobicContact CG1-CD1 3.5Å; V179-L182 HydrophobicContact CB-CB 4.44Å; V179-L182 HydrophobicContact CB-CD1 4.06Å; V179-L182 HydrophobicContact CB-CG 4.23Å; V179-L182 HydrophobicContact CG1-CB 4.45Å; V179-L182 HydrophobicContact CG1-CD1 4.13Å; V179-L182 HydrophobicContact CG1-CG 3.94Å; V179-L182 PolarHBondContact O-N 3.31Å; K180-L182 PolarHBondContact O-N 3.27Å; L182-D184 PolarHBondContact O-N 3.42Å; L182-Q185 WeakPolarHBondContact O-CA 3.22Å; L182-Q185 WeakPolarHBondContact O-CB 3.47Å; L182-Q185 PolarHBondContact O-N 3.45Å; L182-D219 HydrophobicContact CD2-CB 3.99Å
183Q96.2Very high96.2Very high59 Ų5944.4 Ų44.428%0.27621%0.208SC..G310 helixtrans-69.6-19.4-170.3-62.8-58.4-50.700114.3S176 F177 V179 K180 Q185 I186 P197S176-Q183 PolarHBondContact O-NE2 2.97Å; F177-Q183 PolarHBondContact O-NE2 3.11Å; V179-Q183 PolarHBondContact O-NE2 3.22Å; K180-Q183 WeakPolarHBondContact O-CG 3.3Å; Q183-Q185 PolarHBondContact O-N 3.26Å; Q183-I186 PolarHBondContact O-N 3.48Å; Q183-P197 HydrophobicContact CG-CB 3.84Å; Q183-P197 HydrophobicContact CG-CG 3.47Å; Q183-P197 VanDerWaalsContact CG-CG 3.47Å
184D94.6Very high96.1Very high123 Ų12346 Ų4666%0.65823%0.225SC*.G310 helixtrans-69.6-15.617062.9-30.2000112.9L182L182-D184 PolarHBondContact O-N 3.42Å
185Q93.7Very high96Very high29 Ų2946.7 Ų46.714%0.13623%0.229CC..G310 helixtrans-101.8-3.3179.1-51.9-171.156.700113.6T161 L163 N164 L182 Q183 D219T161-Q185 HydrophobicContact CG2-CB 3.61Å; T161-Q185 HydrophobicContact CG2-CG 4.43Å; L163-Q185 WeakPolarHBondContact CD1-O 3.27Å; N164-Q185 PolarHBondContact ND2-OE1 3.13Å; L182-Q185 WeakPolarHBondContact O-CA 3.22Å; L182-Q185 WeakPolarHBondContact O-CB 3.47Å; L182-Q185 PolarHBondContact O-N 3.45Å; Q183-Q185 PolarHBondContact O-N 3.26Å; Q185-D219 PolarHBondContact NE2-OD1 3.41Å; Q185-D219 VanDerWaalsContact NE2-OD1 3.12Å
186I96.3Very high95.9Very high29 Ų2953 Ų5315%0.14926%0.256CS..SBendtrans-95.1118.1178.9-54.6-55.8000109.4T161 P162 F177 Q183T161-I186 HydrophobicContact CG2-CD1 4.29Å; P162-I186 HydrophobicContact CG-CD1 4.5Å; F177-I186 HydrophobicContact CD1-CD1 4.44Å; F177-I186 HydrophobicContact CD1-CG2 4.07Å; F177-I186 HydrophobicContact CE1-CG2 4.1Å; Q183-I186 PolarHBondContact O-N 3.48Å
187P94.8Very high95.9Very high16 Ų1655 Ų5510%0.10427%0.269CS..PPolyproline II helixtrans-65.8137.5176.727.6-33.3000110.6F83 M85 P162 L189F83-P187 HydrophobicContact CB-CG 4.04Å; F83-P187 HydrophobicContact CD1-CB 3.95Å; F83-P187 HydrophobicContact CD1-CG 4.27Å; F83-P187 HydrophobicContact CD2-CB 3.66Å; F83-P187 HydrophobicContact CD2-CG 3.65Å; F83-P187 HydrophobicContact CE1-CB 3.92Å; F83-P187 HydrophobicContact CE2-CB 3.62Å; F83-P187 HydrophobicContact CE2-CG 4.12Å; F83-P187 HydrophobicContact CG-CB 3.82Å; F83-P187 HydrophobicContact CG-CG 3.73Å; F83-P187 HydrophobicContact CZ-CB 3.75Å; M85-P187 HydrophobicContact CE-CG 4.34Å; P162-P187 HydrophobicContact CB-CG 3.94Å; P162-P187 HydrophobicContact CG-CG 4.25Å; P187-L189 PolarHBondContact O-N 3.13Å
188W93.2Very high95.9Very high197 Ų19756 Ų5675%0.74628%0.276SS*.PPolyproline II helixtrans-68.7126.6174.5-17685.7000110.5D190W188-D190 HydrophobicContact CH2-CB 4.11Å; W188-D190 HydrophobicContact CZ2-CB 4.5Å
189L94.6Very high95.9Very high17 Ų1756 Ų569%0.08928%0.277CS..  trans-135.9139.3172.5-71.8175.6000107.8R82 F83 M85 P187 D191 F192R82-L189 HydrophobicContact CB-CD1 4.45Å; F83-L189 HydrophobicContact CD2-CD1 4.29Å; F83-L189 HydrophobicContact CD2-CD2 4.3Å; F83-L189 HydrophobicContact CD2-CG 4.42Å; F83-L189 HydrophobicContact CE2-CD1 4.45Å; F83-L189 HydrophobicContact CE2-CD2 3.71Å; F83-L189 HydrophobicContact CE2-CG 4.1Å; M85-L189 HydrophobicContact CE-CD1 3.7Å; P187-L189 PolarHBondContact O-N 3.13Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-D191 WeakPolarHBondContact CB-OD1 3.37Å; L189-D191 PolarHBondContact O-N 3.11Å; L189-F192 HydrophobicContact CB-CB 4.34Å; L189-F192 HydrophobicContact CB-CD2 3.91Å; L189-F192 HydrophobicContact CB-CG 4.22Å; L189-F192 HydrophobicContact CD1-CD2 3.9Å; L189-F192 HydrophobicContact CD1-CE2 3.74Å; L189-F192 HydrophobicContact CD1-CZ 4.43Å; L189-F192 HydrophobicContact CG-CD2 4.33Å; L189-F192 PolarHBondContact O-N 2.82Å
190D93.7Very high95.9Very high107 Ų10758.7 Ų58.757%0.57229%0.291SS*.G310 helixtrans-60.5-39.4-177.458.3-25.6000112.2W188 F192 E193W188-D190 HydrophobicContact CH2-CB 4.11Å; W188-D190 HydrophobicContact CZ2-CB 4.5Å; D190-F192 PolarHBondContact O-N 2.88Å; D190-E193 VanDerWaalsContact O-CB 3.31Å; D190-E193 WeakPolarHBondContact O-CB 3.49Å; D190-E193 PolarHBondContact O-N 3.2Å
191D92.7Very high95.9Very high22 Ų2254 Ų5412%0.11827%0.271CS..G310 helixtrans-72.9-10.9177.165.1-50.4000114.3R82 R89 S92 L189R82-D191 IonicContact CZ-OD1 3.46Å; R82-D191 VanDerWaalsContact CZ-OD1 3.32Å; R82-D191 IonicContact CZ-OD2 2.64Å; R82-D191 IonicContact NH1-OD1 2.82Å; R82-D191 PolarHBondContact NH1-OD1 2.83Å; R82-D191 IonicContact NH1-OD2 3.15Å; R82-D191 VanDerWaalsContact NH2-CG 3.27Å; R82-D191 IonicContact NH2-OD1 3.79Å; R82-D191 PolarHBondContact NH2-OD1 3.29Å; R82-D191 IonicContact NH2-OD2 3.14Å; R82-D191 PolarHBondContact NH2-OD2 2.95Å; R89-D191 WeakPolarHBondContact CA-OD2 3.46Å; S92-D191 WeakPolarHBondContact CB-O 3.27Å; S92-D191 PolarHBondContact OG-OD2 2.76Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-D191 WeakPolarHBondContact CB-OD1 3.37Å; L189-D191 PolarHBondContact O-N 3.11Å
192F95.2Very high95.9Very high16 Ų1654.5 Ų54.57%0.0728%0.281CS..G310 helixtrans-91.5-3.8170.8-72.8-20.9000114.1M85 F91 S92 M170 F177 L189 D190 G194 I195M85-F192 HydrophobicContact CE-CE2 3.82Å; M85-F192 HydrophobicContact CE-CZ 4.21Å; M85-F192 HydrophobicContact SD-CE2 3.9Å; M85-F192 HydrophobicContact SD-CZ 3.93Å; F91-F192 AromaticContact CD1-CE1 3.76Å; F91-F192 HydrophobicContact CD1-CE1 3.76Å; F91-F192 HydrophobicContact CD1-CZ 4.14Å; F91-F192 HydrophobicContact CE1-CE1 4.01Å; F91-F192 HydrophobicContact CE1-CZ 4.31Å; S92-F192 VanDerWaalsContact CB-CD1 3.43Å; M170-F192 HydrophobicContact CE-CZ 4.41Å; F177-F192 HydrophobicContact CD1-CE2 4.36Å; F177-F192 HydrophobicContact CE1-CD2 4.04Å; F177-F192 HydrophobicContact CE1-CE1 4.46Å; F177-F192 AromaticContact CE1-CE2 3.45Å; F177-F192 HydrophobicContact CE1-CE2 3.45Å; F177-F192 VanDerWaalsContact CE1-CE2 3.45Å; F177-F192 AromaticContact CE1-CZ 3.71Å; F177-F192 HydrophobicContact CE1-CZ 3.71Å; F177-F192 HydrophobicContact CZ-CE2 4.07Å; F177-F192 AromaticContact CZ-CZ 3.97Å; F177-F192 HydrophobicContact CZ-CZ 3.97Å; L189-F192 HydrophobicContact CB-CB 4.34Å; L189-F192 HydrophobicContact CB-CD2 3.91Å; L189-F192 HydrophobicContact CB-CG 4.22Å; L189-F192 HydrophobicContact CD1-CD2 3.9Å; L189-F192 HydrophobicContact CD1-CE2 3.74Å; L189-F192 HydrophobicContact CD1-CZ 4.43Å; L189-F192 HydrophobicContact CG-CD2 4.33Å; L189-F192 PolarHBondContact O-N 2.82Å; D190-F192 PolarHBondContact O-N 2.88Å; F192-G194 PolarHBondContact O-N 3.17Å; F192-I195 HydrophobicContact CD1-CD1 3.64Å; F192-I195 HydrophobicContact CE1-CD1 4.13Å; F192-I195 HydrophobicContact CG-CD1 4.42Å; F192-I195 PolarHBondContact O-N 3.35Å
193E94.1Very high96Very high148 Ų14855.3 Ų55.369%0.69229%0.285SS*.THydrogen-bonded Turntrans-55.5-31.3-175.8-174.8174.7-162.500113.5D190D190-E193 VanDerWaalsContact O-CB 3.31Å; D190-E193 WeakPolarHBondContact O-CB 3.49Å; D190-E193 PolarHBondContact O-N 3.2Å
194G95.4Very high96.1Very high36 Ų3652.5 Ų52.537%0.37127%0.272SS..THydrogen-bonded Turntrans-76.9-17177.100000115.2F192 K196F192-G194 PolarHBondContact O-N 3.17Å; G194-K196 PolarHBondContact O-N 3.48Å
195I97.4Very high96.3Very high14 Ų1446.6 Ų46.67%0.07224%0.241CC..  trans-88.488.4-177.3-53.5176.1000108.4F91 T95 L96 T135 L139 F177 L178 F192F91-I195 HydrophobicContact CE1-CD1 4.29Å; T95-I195 HydrophobicContact CG2-CD1 3.78Å; T95-I195 HydrophobicContact CG2-CG1 3.86Å; T95-I195 HydrophobicContact CG2-CG2 4.49Å; L96-I195 HydrophobicContact CD2-CG1 4.19Å; T135-I195 HydrophobicContact CG2-CG2 3.76Å; L139-I195 HydrophobicContact CD2-CG2 4.49Å; F177-I195 HydrophobicContact CB-CG2 4.13Å; L178-I195 HydrophobicContact CD2-CG2 4.27Å; F192-I195 HydrophobicContact CD1-CD1 3.64Å; F192-I195 HydrophobicContact CE1-CD1 4.13Å; F192-I195 HydrophobicContact CG-CD1 4.42Å; F192-I195 PolarHBondContact O-N 3.35Å
196K96.5Very high96.5Very high132 Ų13245.2 Ų45.257%0.57423%0.234SC*.  trans-88.2136.2-175.7-66.9179.4-174.5169.90111.7L139 G194 C198L139-K196 WeakPolarHBondContact CD1-O 3.35Å; G194-K196 PolarHBondContact O-N 3.48Å; K196-C198 PolarHBondContact O-N 2.9Å; K196-C198 VanDerWaalsContact O-N 3.12Å
197P97.5Very high96.6Very high44 Ų4443.9 Ų43.929%0.28623%0.227SC..  trans-65113.8177.9-22.435.9000111.4L178 K180 Q183L178-P197 CarbonylContact O-C 3.23Å; L178-P197 WeakPolarHBondContact O-CA 2.95Å; K180-P197 WeakPolarHBondContact CE-O 3.03Å; K180-P197 HydrophobicContact CG-CB 3.81Å; Q183-P197 HydrophobicContact CG-CB 3.84Å; Q183-P197 HydrophobicContact CG-CG 3.47Å; Q183-P197 VanDerWaalsContact CG-CG 3.47Å
198C98Very high96.8Very high25 Ų2543.1 Ų43.117%0.16922%0.222CC..  trans-112.9-11.4-172.664.30000113.8A142 L178 K196A142-C198 HydrophobicContact CB-CB 3.61Å; L178-C198 PolarHBondContact O-N 3.44Å; K196-C198 PolarHBondContact O-N 2.9Å; K196-C198 VanDerWaalsContact O-N 3.12Å
199L98.3Very high97.1Very high1 Ų133.8 Ų33.81%0.00519%0.187CC..BIsolated β-bridgetrans-106.4143.9-179.2-60.5179.9000111.9I138 L148 V150 L175 L178 V179 K180 I204I138-L199 HydrophobicContact CG2-CD1 4.04Å; I138-L199 HydrophobicContact CG2-CD2 4.06Å; I138-L199 HydrophobicContact CG2-CG 4.17Å; L148-L199 HydrophobicContact CD1-CD2 3.74Å; V150-L199 HydrophobicContact CG2-CD1 3.89Å; V150-L199 HydrophobicContact CG2-CD2 3.85Å; L175-L199 HydrophobicContact CD2-CD1 4.06Å; L178-L199 HydrophobicContact CB-CD1 4.1Å; L178-L199 HydrophobicContact CB-CG 4.24Å; L178-L199 HydrophobicContact CD1-CD1 4.5Å; L178-L199 PolarHBondContact O-N 3.46Å; V179-L199 HydrophobicContact CG2-CB 4.48Å; K180-L199 WeakPolarHBondContact CB-O 3.41Å; K180-L199 VanDerWaalsContact CG-O 3.29Å; K180-L199 WeakPolarHBondContact CG-O 3.21Å; K180-L199 PolarHBondContact N-O 3.22Å; L199-I204 HydrophobicContact CB-CD1 4.35Å; L199-I204 HydrophobicContact CD1-CD1 3.84Å; L199-I204 HydrophobicContact CD1-CG1 4.08Å
200N98.2Very high97.3Very high55 Ų5535.6 Ų35.629%0.29419%0.193SC..  trans-96149.1158.2-49.5-72.6000107.8K180 S202 N203K180-N200 WeakPolarHBondContact CD-OD1 3.41Å; N200-S202 PolarHBondContact O-N 2.9Å; N200-S202 VanDerWaalsContact O-N 3.1Å; N200-N203 WeakPolarHBondContact O-CB 3.48Å; N200-N203 PolarHBondContact O-N 3.38Å
201A98.3Very high97.5Very high0 Ų034.5 Ų34.50%019%0.187CC..G310 helixtrans-50.9-36.817600000112.9V179 E181 N203 I204 H223 I225V179-A201 HydrophobicContact CG1-CB 4.48Å; E181-A201 VanDerWaalsContact CD-N 3.31Å; E181-A201 HydrophobicContact CG-CB 4.41Å; E181-A201 PolarHBondContact OE1-N 2.98Å; E181-A201 PolarHBondContact OE2-N 3.11Å; A201-N203 PolarHBondContact O-N 3.34Å; A201-I204 PolarHBondContact O-N 2.76Å; A201-H223 HydrophobicContact CB-CB 3.9Å; A201-H223 WeakPolarHBondContact CB-O 3.37Å; A201-I225 HydrophobicContact CB-CD1 4.41Å; A201-I225 HydrophobicContact CB-CG1 3.67Å
202S97.9Very high97.8Very high74 Ų7435.9 Ų35.952%0.51719%0.194SC..G310 helixtrans-68.6-7.4177.356.30000115.4N200N200-S202 PolarHBondContact O-N 2.9Å; N200-S202 VanDerWaalsContact O-N 3.1Å
203N98.3Very high97.9Very high17 Ų1738.6 Ų38.69%0.09121%0.209CC..G310 helixtrans-97.75.1176-73.5-19.1000113C149 V150 N200 A201 K255C149-N203 CarbonylContact C-O 3.56Å; C149-N203 WeakPolarHBondContact CA-O 3.35Å; C149-N203 WeakPolarHBondContact CB-O 3.18Å; V150-N203 PolarHBondContact N-O 3.1Å; N200-N203 WeakPolarHBondContact O-CB 3.48Å; N200-N203 PolarHBondContact O-N 3.38Å; A201-N203 PolarHBondContact O-N 3.34Å; N203-K255 PolarHBondContact OD1-NZ 3.03Å
204I98.8Very high98Very high0 Ų035.6 Ų35.60%021%0.21CC..EExtended strand (participates in β ladder)trans-117.8134.8-177-56.7166.4000109.4V150 L175 V179 L199 A201 Y206 I225 A226 V249V150-I204 HydrophobicContact CB-CG1 4.33Å; V150-I204 WeakPolarHBondContact O-CA 3.3Å; L175-I204 HydrophobicContact CD2-CD1 4.3Å; V179-I204 HydrophobicContact CG2-CD1 3.47Å; V179-I204 VanDerWaalsContact CG2-CD1 3.47Å; L199-I204 HydrophobicContact CB-CD1 4.35Å; L199-I204 HydrophobicContact CD1-CD1 3.84Å; L199-I204 HydrophobicContact CD1-CG1 4.08Å; A201-I204 PolarHBondContact O-N 2.76Å; I204-Y206 HydrophobicContact CG2-CE2 4.22Å; I204-I225 HydrophobicContact CB-CG2 3.9Å; I204-I225 HydrophobicContact CG2-CG2 3.88Å; I204-A226 PolarHBondContact O-N 3.19Å; I204-V249 VanDerWaalsContact C-CG1 3.43Å
205A98.8Very high98.1Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-131.3128.6165.700000110.9V150 L151 W152 A226 A245 V249V150-A205 PolarHBondContact O-N 2.89Å; L151-A205 WeakPolarHBondContact CA-O 2.89Å; L151-A205 HydrophobicContact CD2-CB 3.93Å; W152-A205 PolarHBondContact N-O 2.92Å; A205-A226 CarbonylContact C-O 3.57Å; A205-A226 VanDerWaalsContact CA-O 3.27Å; A205-A226 WeakPolarHBondContact CA-O 3.42Å; A205-A226 HydrophobicContact CB-CB 3.91Å; A205-A245 HydrophobicContact CB-CB 4.03Å; A205-V249 HydrophobicContact CB-CG1 3.69Å
206Y98.9Very high98.1Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-90.2144.4173.2-65.7-80.7000112.3W152 G157 L175 I204 L209 I220 I225 A226 Y227 F228W152-Y206 HydrophobicContact CB-CD1 3.6Å; W152-Y206 HydrophobicContact CB-CE1 3.8Å; W152-Y206 HydrophobicContact CB-CG 4.46Å; W152-Y206 AromaticContact CD1-CD1 3.49Å; W152-Y206 VanDerWaalsContact CD1-CD1 3.49Å; W152-Y206 AromaticContact CD1-CE1 3.46Å; W152-Y206 VanDerWaalsContact CD1-CE1 3.46Å; W152-Y206 HydrophobicContact CD2-CE1 4.34Å; W152-Y206 AromaticContact CG-CD1 3.72Å; W152-Y206 HydrophobicContact CG-CD1 3.72Å; W152-Y206 AromaticContact CG-CE1 3.58Å; W152-Y206 HydrophobicContact CG-CE1 3.58Å; W152-Y206 CarbonylContact O-C 3.2Å; W152-Y206 VanDerWaalsContact O-CA 3.26Å; W152-Y206 WeakPolarHBondContact O-CA 3.4Å; G157-Y206 WeakPolarHBondContact O-CE1 3.38Å; G157-Y206 PolarHBondContact O-OH 2.81Å; L175-Y206 HydrophobicContact CD1-CE1 3.78Å; L175-Y206 WeakPolarHBondContact CD1-OH 3.37Å; I204-Y206 HydrophobicContact CG2-CE2 4.22Å; Y206-L209 HydrophobicContact CD1-CD1 4.5Å; Y206-L209 HydrophobicContact CD1-CD2 3.85Å; Y206-L209 HydrophobicContact CD2-CD1 4.16Å; Y206-L209 HydrophobicContact CG-CD1 3.88Å; Y206-L209 HydrophobicContact CG-CD2 4.01Å; Y206-L209 HydrophobicContact CG-CG 4.19Å; Y206-I220 HydrophobicContact CD2-CD1 4.38Å; Y206-I220 HydrophobicContact CE2-CD1 3.99Å; Y206-I220 HydrophobicContact CE2-CG1 4.06Å; Y206-I225 HydrophobicContact CD2-CG2 3.81Å; Y206-I225 HydrophobicContact CE2-CG2 3.6Å; Y206-A226 PolarHBondContact N-O 2.75Å; Y206-Y227 CarbonylContact O-C 3.6Å; Y206-F228 WeakPolarHBondContact O-CD2 3.41Å; Y206-F228 PolarHBondContact O-N 3.22Å
207I98.9Very high98.2Very high1 Ų133.3 Ų33.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-134.9129.4168.2-56.7176000109W152 I153 D154 F228 I238 V241 A245 I290W152-I207 PolarHBondContact O-N 2.93Å; I153-I207 WeakPolarHBondContact CA-O 3.48Å; I153-I207 HydrophobicContact CD1-CB 3.77Å; I153-I207 HydrophobicContact CD1-CD1 3.88Å; I153-I207 HydrophobicContact CD1-CG1 4.07Å; D154-I207 PolarHBondContact N-O 3.3Å; D154-I207 VanDerWaalsContact N-O 3.07Å; I207-F228 WeakPolarHBondContact CA-O 3.35Å; I207-F228 HydrophobicContact CG1-CD2 4.36Å; I207-I238 HydrophobicContact CG2-CD1 4.39Å; I207-V241 HydrophobicContact CD1-CG1 4.16Å; I207-V241 HydrophobicContact CG1-CG1 4.08Å; I207-V241 HydrophobicContact CG2-CG1 3.81Å; I207-A245 HydrophobicContact CD1-CB 3.81Å; I207-A245 HydrophobicContact CG1-CB 4.15Å; I207-I290 HydrophobicContact CG2-CD1 3.98Å
208G98.8Very high98.2Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans106.30173.700000115.2D154 R210 F228D154-G208 CarbonylContact O-C 3.59Å; D154-G208 WeakPolarHBondContact O-CA 3.11Å; G208-R210 PolarHBondContact O-N 2.83Å; G208-R210 PolarHBondContact O-NH1 3.34Å; G208-F228 PolarHBondContact N-O 3.49Å
209L98.8Very high98.1Very high1 Ų135 Ų351%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-55.2132.2-176.3-59-174.7000111.7D154 A155 H156 Y206 L212 I220 T229 M230D154-L209 PolarHBondContact O-N 3.16Å; D154-L209 VanDerWaalsContact O-N 3.15Å; A155-L209 WeakPolarHBondContact O-CA 3.27Å; H156-L209 WeakPolarHBondContact O-CD2 3.13Å; Y206-L209 HydrophobicContact CD1-CD1 4.5Å; Y206-L209 HydrophobicContact CD1-CD2 3.85Å; Y206-L209 HydrophobicContact CD2-CD1 4.16Å; Y206-L209 HydrophobicContact CG-CD1 3.88Å; Y206-L209 HydrophobicContact CG-CD2 4.01Å; Y206-L209 HydrophobicContact CG-CG 4.19Å; L209-L212 HydrophobicContact CB-CD1 4.24Å; L209-L212 HydrophobicContact CD1-CD1 4.02Å; L209-L212 HydrophobicContact CD1-CD2 4.28Å; L209-L212 HydrophobicContact CD2-CD2 4.36Å; L209-I220 HydrophobicContact CD1-CD1 4.27Å; L209-T229 HydrophobicContact CB-CG2 4.22Å; L209-T229 CarbonylContact O-C 3.59Å; L209-T229 WeakPolarHBondContact O-CA 3.24Å; L209-T229 VanDerWaalsContact O-CB 3.3Å; L209-T229 WeakPolarHBondContact O-CB 3.3Å; L209-M230 PolarHBondContact O-N 2.9Å
210R98.6Very high98.2Very high54 Ų5435.1 Ų35.120%0.20420%0.196CC..  trans-158.2-6.5178.959-177.6179.3-71.71.3114.9A155 G208 M230 D264 A265 L266 V278 G280A155-R210 HydrophobicContact CB-CG 4.02Å; A155-R210 VanDerWaalsContact CB-CZ 3.48Å; A155-R210 PolarHBondContact O-N 2.91Å; G208-R210 PolarHBondContact O-N 2.83Å; G208-R210 PolarHBondContact O-NH1 3.34Å; R210-M230 HydrophobicContact CB-CB 4.48Å; R210-M230 HydrophobicContact CB-CG 4.2Å; R210-M230 HydrophobicContact CG-CG 4.4Å; R210-D264 PolarHBondContact NH2-O 3.34Å; R210-A265 PolarHBondContact NH1-O 3.05Å; R210-A265 PolarHBondContact NH2-O 3.2Å; R210-L266 PolarHBondContact NH2-O 2.96Å; R210-V278 HydrophobicContact CG-CB 4.2Å; R210-V278 HydrophobicContact CG-CG1 3.86Å; R210-V278 PolarHBondContact NE-O 2.92Å; R210-V278 PolarHBondContact NH2-O 3.03Å; R210-G280 WeakPolarHBondContact CD-O 3.11Å
211D98.4Very high98.1Very high85 Ų8540.7 Ų40.746%0.45521%0.212SC..  trans-136.5105.4170.2-16617.7000109.1A155 H156 V278A155-D211 PolarHBondContact O-N 2.74Å; H156-D211 WeakPolarHBondContact CA-O 3.47Å; D211-V278 HydrophobicContact CB-CG1 4.17Å; D211-V278 HydrophobicContact CB-CG2 3.79Å
212L98Very high98.1Very high51 Ų5146 Ų4627%0.26724%0.235SC..  trans-130.2135.1-173.5-73.8166000109.7L209 E216 I220L209-L212 HydrophobicContact CB-CD1 4.24Å; L209-L212 HydrophobicContact CD1-CD1 4.02Å; L209-L212 HydrophobicContact CD1-CD2 4.28Å; L209-L212 HydrophobicContact CD2-CD2 4.36Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; L212-I220 HydrophobicContact CD2-CD1 4.06Å
213D97.6Very high98.1Very high72 Ų7244.3 Ų44.339%0.38522%0.22SC..  trans-67.4155.8167.6-73.7-37.4000110.7N160 H215 E216 T217N160-D213 PolarHBondContact ND2-OD2 2.96Å; D213-H215 PolarHBondContact O-N 2.68Å; D213-E216 HydrophobicContact CB-CG 4.06Å; D213-E216 PolarHBondContact N-OE2 2.8Å; D213-E216 PolarHBondContact O-N 2.93Å; D213-T217 PolarHBondContact O-N 3.32Å; D213-T217 PolarHBondContact O-OG1 3.04Å
214A97.4Very high98.1Very high85 Ų8546.1 Ų46.170%0.70224%0.242SC*.Hα-helixtrans-60-35.7179.600000112.4H218A214-H218 PolarHBondContact O-N 3.2Å
215H95.7Very high98.1Very high92 Ų9246.3 Ų46.343%0.42624%0.243SC..Hα-helixtrans-72.6-41.3178-77.3-80.3000112.3N164 D213 T217 H218 D219N164-H215 HydrophobicContact CB-CB 3.87Å; D213-H215 PolarHBondContact O-N 2.68Å; H215-T217 VanDerWaalsContact C-N 3.32Å; H215-T217 PolarHBondContact O-N 3.14Å; H215-H218 WeakPolarHBondContact O-CA 3.38Å; H215-H218 WeakPolarHBondContact O-CB 3.43Å; H215-H218 PolarHBondContact O-N 2.64Å; H215-H218 VanDerWaalsContact O-N 3.07Å; H215-D219 PolarHBondContact O-N 3.12Å
216E98.1Very high98.1Very high6 Ų647.4 Ų47.43%0.02825%0.252CS..Hα-helixtrans-59.4-45.7173.7-62.5-177.4121.300111.1G157 D158 I159 N160 L212 D213 H218 D219 I220G157-E216 WeakPolarHBondContact CA-OE1 3.2Å; D158-E216 PolarHBondContact N-OE1 2.94Å; I159-E216 HydrophobicContact CG2-CB 3.84Å; I159-E216 HydrophobicContact CG2-CG 3.82Å; I159-E216 PolarHBondContact N-OE1 3.29Å; N160-E216 VanDerWaalsContact ND2-CD 3.34Å; N160-E216 PolarHBondContact ND2-OE1 2.89Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; D213-E216 HydrophobicContact CB-CG 4.06Å; D213-E216 PolarHBondContact N-OE2 2.8Å; D213-E216 PolarHBondContact O-N 2.93Å; E216-H218 VanDerWaalsContact C-N 3.25Å; E216-H218 PolarHBondContact O-N 3.35Å; E216-D219 PolarHBondContact O-N 3.31Å; E216-I220 WeakPolarHBondContact O-CB 3.39Å; E216-I220 WeakPolarHBondContact O-CG1 3.49Å; E216-I220 PolarHBondContact O-N 3.2Å
217T98.2Very high98.1Very high36 Ų3651.6 Ų51.622%0.22127%0.268CS..Hα-helixtrans-58.5-39.4175-61.20000111.8D213 H215 R221D213-T217 PolarHBondContact O-N 3.32Å; D213-T217 PolarHBondContact O-OG1 3.04Å; H215-T217 VanDerWaalsContact C-N 3.32Å; H215-T217 PolarHBondContact O-N 3.14Å; T217-R221 WeakPolarHBondContact O-CB 3.3Å; T217-R221 VanDerWaalsContact O-CG 3.3Å; T217-R221 WeakPolarHBondContact O-CG 3.37Å; T217-R221 PolarHBondContact O-N 3.33Å
218H97.8Very high98.1Very high103 Ų10352.8 Ų52.848%0.47727%0.273SS..Hα-helixtrans-64.1-51.6176.7176.480.2000111.4A214 H215 E216 R221 K222A214-H218 PolarHBondContact O-N 3.2Å; H215-H218 WeakPolarHBondContact O-CA 3.38Å; H215-H218 WeakPolarHBondContact O-CB 3.43Å; H215-H218 PolarHBondContact O-N 2.64Å; H215-H218 VanDerWaalsContact O-N 3.07Å; E216-H218 VanDerWaalsContact C-N 3.25Å; E216-H218 PolarHBondContact O-N 3.35Å; H218-R221 PolarHBondContact O-N 2.82Å; H218-K222 WeakPolarHBondContact O-CB 3.14Å; H218-K222 PolarHBondContact O-N 3.32Å
219D97.3Very high98.1Very high1 Ų154.3 Ų54.31%0.00528%0.283CS..Hα-helixtrans-66.5-43.3-175.9-75-34.5000111.8L182 Q185 H215 E216 R221 K222 H223L182-D219 HydrophobicContact CD2-CB 3.99Å; Q185-D219 PolarHBondContact NE2-OD1 3.41Å; Q185-D219 VanDerWaalsContact NE2-OD1 3.12Å; H215-D219 PolarHBondContact O-N 3.12Å; E216-D219 PolarHBondContact O-N 3.31Å; D219-R221 VanDerWaalsContact C-N 3.3Å; D219-R221 PolarHBondContact O-N 2.97Å; D219-K222 PolarHBondContact O-N 3.05Å; D219-H223 WeakPolarHBondContact O-CB 3.02Å; D219-H223 PolarHBondContact O-CD2 3.26Å; D219-H223 PolarHBondContact O-N 3.14Å; D219-H223 IonicContact OD1-NE2 3.28Å
220I98.4Very high98.1Very high5 Ų555 Ų553%0.02629%0.286CS..Hα-helixtrans-54.2-47.2174.2-71.6169.4000110.7I159 Y206 L209 L212 E216 G224 I225 Y227I159-I220 HydrophobicContact CG2-CD1 4.45Å; I159-I220 HydrophobicContact CG2-CG1 4.33Å; Y206-I220 HydrophobicContact CD2-CD1 4.38Å; Y206-I220 HydrophobicContact CE2-CD1 3.99Å; Y206-I220 HydrophobicContact CE2-CG1 4.06Å; L209-I220 HydrophobicContact CD1-CD1 4.27Å; L212-I220 HydrophobicContact CD2-CD1 4.06Å; E216-I220 WeakPolarHBondContact O-CB 3.39Å; E216-I220 WeakPolarHBondContact O-CG1 3.49Å; E216-I220 PolarHBondContact O-N 3.2Å; I220-G224 PolarHBondContact O-N 3.16Å; I220-G224 VanDerWaalsContact O-N 3.14Å; I220-I225 HydrophobicContact CG1-CD1 4.44Å; I220-I225 HydrophobicContact CG2-CB 4.3Å; I220-I225 PolarHBondContact O-N 2.92Å; I220-Y227 HydrophobicContact CG2-CD1 3.32Å; I220-Y227 HydrophobicContact CG2-CE1 3.86Å; I220-Y227 HydrophobicContact CG2-CG 4.07Å
221R98.2Very high98.1Very high171 Ų17156.5 Ų56.565%0.64530%0.298SS*.Hα-helixtrans-71.5-45.3179.8-72.7177.3179.3168.94.7112.9T217 H218 D219 H223 G224T217-R221 WeakPolarHBondContact O-CB 3.3Å; T217-R221 VanDerWaalsContact O-CG 3.3Å; T217-R221 WeakPolarHBondContact O-CG 3.37Å; T217-R221 PolarHBondContact O-N 3.33Å; H218-R221 PolarHBondContact O-N 2.82Å; D219-R221 VanDerWaalsContact C-N 3.3Å; D219-R221 PolarHBondContact O-N 2.97Å; R221-H223 VanDerWaalsContact C-N 3.29Å; R221-H223 PolarHBondContact O-N 3.37Å; R221-G224 PolarHBondContact O-N 2.8Å
222K97.8Very high98.1Very high111 Ų11154.3 Ų54.348%0.48329%0.286SS..Hα-helixtrans-60.7-40.4-177.5175.8-177.1166.7-1560111.3H218 D219H218-K222 WeakPolarHBondContact O-CB 3.14Å; H218-K222 PolarHBondContact O-N 3.32Å; D219-K222 PolarHBondContact O-N 3.05Å
223H97.8Very high98.1Very high40 Ų4052 Ų5219%0.18527%0.274CS..Hα-helixtrans-96.5-1.2-175.6-61.2-66.3000113.6E181 A201 D219 R221 I225E181-H223 HydrophobicContact CB-CB 4.44Å; E181-H223 WeakPolarHBondContact CB-ND1 2.97Å; E181-H223 PolarHBondContact O-CE1 3.49Å; A201-H223 HydrophobicContact CB-CB 3.9Å; A201-H223 WeakPolarHBondContact CB-O 3.37Å; D219-H223 WeakPolarHBondContact O-CB 3.02Å; D219-H223 PolarHBondContact O-CD2 3.26Å; D219-H223 PolarHBondContact O-N 3.14Å; D219-H223 IonicContact OD1-NE2 3.28Å; R221-H223 VanDerWaalsContact C-N 3.29Å; R221-H223 PolarHBondContact O-N 3.37Å; H223-I225 VanDerWaalsContact C-N 3.34Å; H223-I225 HydrophobicContact CB-CG1 4.47Å; H223-I225 PolarHBondContact O-N 2.95Å
224G97.9Very high98.1Very high55 Ų5554.5 Ų54.557%0.56729%0.288SS*.THydrogen-bonded Turntrans66.534.1175.200000113.3I220 R221I220-G224 PolarHBondContact O-N 3.16Å; I220-G224 VanDerWaalsContact O-N 3.14Å; R221-G224 PolarHBondContact O-N 2.8Å
225I98.6Very high98.2Very high4 Ų459.3 Ų59.32%0.02129%0.288CS..  trans-67.1132.7174.2-58.3173.8000107.9I159 A201 I204 Y206 I220 H223 Y227I159-I225 HydrophobicContact CD1-CD1 3.46Å; I159-I225 VanDerWaalsContact CD1-CD1 3.46Å; A201-I225 HydrophobicContact CB-CD1 4.41Å; A201-I225 HydrophobicContact CB-CG1 3.67Å; I204-I225 HydrophobicContact CB-CG2 3.9Å; I204-I225 HydrophobicContact CG2-CG2 3.88Å; Y206-I225 HydrophobicContact CD2-CG2 3.81Å; Y206-I225 HydrophobicContact CE2-CG2 3.6Å; I220-I225 HydrophobicContact CG1-CD1 4.44Å; I220-I225 HydrophobicContact CG2-CB 4.3Å; I220-I225 PolarHBondContact O-N 2.92Å; H223-I225 VanDerWaalsContact C-N 3.34Å; H223-I225 HydrophobicContact CB-CG1 4.47Å; H223-I225 PolarHBondContact O-N 2.95Å; I225-Y227 WeakPolarHBondContact O-CD1 3.15Å
226A98.7Very high98.2Very high22 Ų2259 Ų5918%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-69.1137.6177.600000109.7I204 A205 Y206 A248I204-A226 PolarHBondContact O-N 3.19Å; A205-A226 CarbonylContact C-O 3.57Å; A205-A226 VanDerWaalsContact CA-O 3.27Å; A205-A226 WeakPolarHBondContact CA-O 3.42Å; A205-A226 HydrophobicContact CB-CB 3.91Å; Y206-A226 PolarHBondContact N-O 2.75Å; A226-A248 HydrophobicContact CB-CB 3.7Å
227Y98.7Very high98.3Very high89 Ų8960.4 Ų60.435%0.34930%0.303SS..EExtended strand (participates in β ladder)trans-147.5148.317965.9-94.9000111.2Y206 I220 I225 T229Y206-Y227 CarbonylContact O-C 3.6Å; I220-Y227 HydrophobicContact CG2-CD1 3.32Å; I220-Y227 HydrophobicContact CG2-CE1 3.86Å; I220-Y227 HydrophobicContact CG2-CG 4.07Å; I225-Y227 WeakPolarHBondContact O-CD1 3.15Å; Y227-T229 HydrophobicContact CD2-CG2 3.99Å; Y227-T229 HydrophobicContact CE2-CG2 4.25Å
228F98.8Very high98.3Very high25 Ų2559.5 Ų59.511%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-136101.2175.9-57.5-89000107.9Y206 I207 G208 D232 V241 E244 A245Y206-F228 WeakPolarHBondContact O-CD2 3.41Å; Y206-F228 PolarHBondContact O-N 3.22Å; I207-F228 WeakPolarHBondContact CA-O 3.35Å; I207-F228 HydrophobicContact CG1-CD2 4.36Å; G208-F228 PolarHBondContact N-O 3.49Å; F228-D232 HydrophobicContact CB-CB 4.27Å; F228-D232 HydrophobicContact CD1-CB 4.47Å; F228-V241 HydrophobicContact CB-CB 4.47Å; F228-V241 HydrophobicContact CB-CG1 3.46Å; F228-V241 VanDerWaalsContact CB-CG1 3.46Å; F228-V241 HydrophobicContact CB-CG2 4.32Å; F228-V241 HydrophobicContact CD1-CB 4.47Å; F228-V241 HydrophobicContact CD1-CG1 4.11Å; F228-V241 HydrophobicContact CD1-CG2 4.24Å; F228-V241 HydrophobicContact CD2-CG1 4.31Å; F228-V241 HydrophobicContact CG-CG1 3.7Å; F228-E244 HydrophobicContact CE1-CB 3.52Å; F228-E244 HydrophobicContact CE1-CG 4.46Å; F228-E244 HydrophobicContact CZ-CB 3.47Å; F228-E244 VanDerWaalsContact CZ-CB 3.47Å; F228-A245 HydrophobicContact CD2-CB 3.91Å; F228-A245 VanDerWaalsContact CE2-CA 3.48Å; F228-A245 HydrophobicContact CE2-CB 3.6Å; F228-A245 HydrophobicContact CZ-CB 4.42Å
229T98.8Very high98.2Very high32 Ų3259.2 Ų59.220%0.19630%0.295CS..EExtended strand (participates in β ladder)trans-70.9168.9177.966.60000110.7L209 Y227 L231 D232 V233L209-T229 HydrophobicContact CB-CG2 4.22Å; L209-T229 CarbonylContact O-C 3.59Å; L209-T229 WeakPolarHBondContact O-CA 3.24Å; L209-T229 VanDerWaalsContact O-CB 3.3Å; L209-T229 WeakPolarHBondContact O-CB 3.3Å; Y227-T229 HydrophobicContact CD2-CG2 3.99Å; Y227-T229 HydrophobicContact CE2-CG2 4.25Å; T229-L231 PolarHBondContact O-N 2.95Å; T229-L231 VanDerWaalsContact O-N 3.16Å; T229-L231 PolarHBondContact OG1-N 3.35Å; T229-D232 WeakPolarHBondContact CB-OD2 3.34Å; T229-D232 PolarHBondContact N-OD2 3.09Å; T229-D232 WeakPolarHBondContact O-CA 3.22Å; T229-D232 WeakPolarHBondContact O-CB 3.2Å; T229-D232 PolarHBondContact O-N 3.42Å; T229-D232 PolarHBondContact OG1-N 2.84Å; T229-D232 PolarHBondContact OG1-OD2 3.17Å; T229-V233 PolarHBondContact O-N 3.39Å; T229-V233 VanDerWaalsContact O-N 3.11Å
230M98.7Very high98.2Very high16 Ų1660.7 Ų60.78%0.07931%0.308CS..Hα-helixtrans-58.7-26.3171.3-73-57.2-5600113.3L209 R210 D232 V233 D234 G280 G281 L282L209-M230 PolarHBondContact O-N 2.9Å; R210-M230 HydrophobicContact CB-CB 4.48Å; R210-M230 HydrophobicContact CB-CG 4.2Å; R210-M230 HydrophobicContact CG-CG 4.4Å; M230-D232 VanDerWaalsContact C-N 3.32Å; M230-D232 PolarHBondContact O-N 2.98Å; M230-V233 HydrophobicContact CE-CB 4.32Å; M230-V233 HydrophobicContact CE-CG1 4.3Å; M230-V233 WeakPolarHBondContact O-CB 3.34Å; M230-V233 PolarHBondContact O-N 2.86Å; M230-V233 HydrophobicContact SD-CB 4.45Å; M230-V233 HydrophobicContact SD-CG2 4.25Å; M230-D234 VanDerWaalsContact O-CG 3.3Å; M230-D234 PolarHBondContact O-N 2.62Å; M230-G280 WeakPolarHBondContact CE-O 3.24Å; M230-G280 VanDerWaalsContact CG-O 3.3Å; M230-G280 WeakPolarHBondContact CG-O 3.26Å; M230-G281 VanDerWaalsContact CE-C 3.46Å; M230-G281 WeakPolarHBondContact CE-O 3.3Å; M230-L282 HydrophobicContact CE-CD2 4.19Å; M230-L282 HydrophobicContact SD-CD2 3.66Å; M230-L282 HydrophobicContact SD-CG 3.88Å
231L98.4Very high98.2Very high85 Ų8560.5 Ų60.545%0.44531%0.307SS..Hα-helixtrans-67.5-33.3172.7-176.262.6000112.4T229 R235T229-L231 PolarHBondContact O-N 2.95Å; T229-L231 VanDerWaalsContact O-N 3.16Å; T229-L231 PolarHBondContact OG1-N 3.35Å; L231-R235 HydrophobicContact CD1-CG 4.44Å; L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 WeakPolarHBondContact O-CG 3.36Å; L231-R235 PolarHBondContact O-N 3.37Å
232D98.7Very high98.3Very high39 Ų3952.5 Ų52.521%0.20928%0.277CS..Hα-helixtrans-71.2-39.5175.3-57.5-63000110.3F228 T229 M230 R235 M236 V241F228-D232 HydrophobicContact CB-CB 4.27Å; F228-D232 HydrophobicContact CD1-CB 4.47Å; T229-D232 WeakPolarHBondContact CB-OD2 3.34Å; T229-D232 PolarHBondContact N-OD2 3.09Å; T229-D232 WeakPolarHBondContact O-CA 3.22Å; T229-D232 WeakPolarHBondContact O-CB 3.2Å; T229-D232 PolarHBondContact O-N 3.42Å; T229-D232 PolarHBondContact OG1-N 2.84Å; T229-D232 PolarHBondContact OG1-OD2 3.17Å; M230-D232 VanDerWaalsContact C-N 3.32Å; M230-D232 PolarHBondContact O-N 2.98Å; D232-R235 PolarHBondContact O-N 3.14Å; D232-M236 HydrophobicContact CB-SD 4.43Å; D232-M236 VanDerWaalsContact O-CB 3.28Å; D232-M236 WeakPolarHBondContact O-CB 3.47Å; D232-M236 WeakPolarHBondContact O-CG 3.42Å; D232-M236 PolarHBondContact O-N 2.87Å; D232-V241 HydrophobicContact CB-CG2 4.46Å
233V98.7Very high98.2Very high3 Ų352.2 Ų52.22%0.01828%0.276CS..Hα-helixtrans-59.4-47.9172-179.80000110.8T229 M230 R235 G237 I238 V241 L282 E286T229-V233 PolarHBondContact O-N 3.39Å; T229-V233 VanDerWaalsContact O-N 3.11Å; M230-V233 HydrophobicContact CE-CB 4.32Å; M230-V233 HydrophobicContact CE-CG1 4.3Å; M230-V233 WeakPolarHBondContact O-CB 3.34Å; M230-V233 PolarHBondContact O-N 2.86Å; M230-V233 HydrophobicContact SD-CB 4.45Å; M230-V233 HydrophobicContact SD-CG2 4.25Å; V233-R235 VanDerWaalsContact C-N 3.31Å; V233-R235 PolarHBondContact O-N 2.65Å; V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.23Å; V233-I238 HydrophobicContact CG1-CB 4.5Å; V233-I238 HydrophobicContact CG1-CD1 4.37Å; V233-I238 HydrophobicContact CG2-CD1 4.36Å; V233-V241 HydrophobicContact CG2-CG1 4.4Å; V233-V241 HydrophobicContact CG2-CG2 4.15Å; V233-L282 HydrophobicContact CG1-CD2 4.32Å; V233-L282 HydrophobicContact CG2-CD2 4.21Å; V233-E286 WeakPolarHBondContact CG1-OE1 3.19Å
234D98.4Very high98.3Very high125 Ų12554.4 Ų54.467%0.66829%0.286SS*.Hα-helixtrans-60.8-38.1177.7-74.8-21000112.8M230M230-D234 VanDerWaalsContact O-CG 3.3Å; M230-D234 PolarHBondContact O-N 2.62Å
235R97.9Very high98.3Very high186 Ų18651.8 Ų51.870%0.70226%0.259SS*.Hα-helixtrans-82-40.4-175.6-75.6174.8176.6-1690.5113.6L231 D232 V233L231-R235 HydrophobicContact CD1-CG 4.44Å; L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 WeakPolarHBondContact O-CG 3.36Å; L231-R235 PolarHBondContact O-N 3.37Å; D232-R235 PolarHBondContact O-N 3.14Å; V233-R235 VanDerWaalsContact C-N 3.31Å; V233-R235 PolarHBondContact O-N 2.65Å
236M97.4Very high98.3Very high86 Ų8652.4 Ų52.442%0.42426%0.263SS..Hα-helixtrans-103.6-22.4-170-58.7173.354.400112.4D232 A240 V241 E244D232-M236 HydrophobicContact CB-SD 4.43Å; D232-M236 VanDerWaalsContact O-CB 3.28Å; D232-M236 WeakPolarHBondContact O-CB 3.47Å; D232-M236 WeakPolarHBondContact O-CG 3.42Å; D232-M236 PolarHBondContact O-N 2.87Å; M236-A240 HydrophobicContact CB-CB 3.92Å; M236-A240 HydrophobicContact CE-CB 4.06Å; M236-A240 WeakPolarHBondContact O-CB 3.32Å; M236-V241 HydrophobicContact CB-CG2 4.35Å; M236-E244 HydrophobicContact CE-CG 3.98Å
237G98.2Very high98.2Very high34 Ų3454.2 Ų54.235%0.35127%0.269SS..  trans77.3150.6-166.500000112.2V233 E239 A240 V241V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.23Å; G237-E239 VanDerWaalsContact C-N 3.28Å; G237-E239 PolarHBondContact O-N 3.24Å; G237-A240 PolarHBondContact O-N 2.81Å; G237-A240 VanDerWaalsContact O-N 3.16Å; G237-V241 PolarHBondContact O-N 3.42Å
238I98.3Very high98.2Very high18 Ų1852.4 Ų52.49%0.09227%0.272CS..Hα-helixtrans-58.3-35.2-173.5-167.860.6000114.2I207 V233 A240 V241 I242 L282 E286 R289 I290I207-I238 HydrophobicContact CG2-CD1 4.39Å; V233-I238 HydrophobicContact CG1-CB 4.5Å; V233-I238 HydrophobicContact CG1-CD1 4.37Å; V233-I238 HydrophobicContact CG2-CD1 4.36Å; I238-A240 VanDerWaalsContact C-N 3.33Å; I238-A240 PolarHBondContact O-N 3.13Å; I238-V241 HydrophobicContact CD1-CG1 4.49Å; I238-V241 PolarHBondContact O-N 3.44Å; I238-I242 HydrophobicContact CD1-CD1 4.48Å; I238-I242 HydrophobicContact CD1-CG1 4.35Å; I238-I242 HydrophobicContact CG1-CD1 3.83Å; I238-I242 HydrophobicContact CG1-CG1 4.21Å; I238-I242 WeakPolarHBondContact O-CD1 3.36Å; I238-I242 VanDerWaalsContact O-CG1 3.27Å; I238-I242 WeakPolarHBondContact O-CG1 3.23Å; I238-I242 PolarHBondContact O-N 2.61Å; I238-L282 HydrophobicContact CD1-CD2 4.15Å; I238-E286 HydrophobicContact CB-CB 4.2Å; I238-E286 HydrophobicContact CB-CG 3.88Å; I238-E286 HydrophobicContact CD1-CB 4.28Å; I238-E286 HydrophobicContact CG1-CB 3.88Å; I238-E286 HydrophobicContact CG1-CG 4.14Å; I238-E286 HydrophobicContact CG2-CB 4.42Å; I238-E286 HydrophobicContact CG2-CG 3.91Å; I238-R289 HydrophobicContact CG2-CB 4.43Å; I238-R289 HydrophobicContact CG2-CG 4.35Å; I238-I290 HydrophobicContact CD1-CD1 4.01Å; I238-I290 HydrophobicContact CD1-CG1 3.9Å; I238-I290 HydrophobicContact CG1-CG1 4.17Å
239E96.6Very high98.2Very high96 Ų9651.2 Ų51.245%0.44927%0.267SS..Hα-helixtrans-59.1-44.4178.6-63.1-65.2153.300112.2G237 K243 R289G237-E239 VanDerWaalsContact C-N 3.28Å; G237-E239 PolarHBondContact O-N 3.24Å; E239-K243 WeakPolarHBondContact O-CB 3.29Å; E239-K243 PolarHBondContact O-N 3.07Å; E239-R289 VanDerWaalsContact CD-NE 3.26Å; E239-R289 VanDerWaalsContact OE1-CD 3.3Å; E239-R289 WeakPolarHBondContact OE1-CD 3.33Å; E239-R289 WeakPolarHBondContact OE1-CG 3.12Å; E239-R289 IonicContact OE1-CZ 2.67Å; E239-R289 IonicContact OE1-NE 3.69Å; E239-R289 PolarHBondContact OE1-NE 3.28Å; E239-R289 IonicContact OE1-NH2 3.12Å; E239-R289 IonicContact OE2-CZ 2.97Å; E239-R289 IonicContact OE2-NE 2.66Å; E239-R289 PolarHBondContact OE2-NE 3.07Å; E239-R289 VanDerWaalsContact OE2-NE 3.14Å; E239-R289 IonicContact OE2-NH2 3.24Å; E239-R289 PolarHBondContact OE2-NH2 2.77Å
240A98Very high98.1Very high33 Ų3349.9 Ų49.927%0.27326%0.259SS..Hα-helixtrans-69.8-41.3-179.500000110.5M236 G237 I238 K243 E244M236-A240 HydrophobicContact CB-CB 3.92Å; M236-A240 HydrophobicContact CE-CB 4.06Å; M236-A240 WeakPolarHBondContact O-CB 3.32Å; G237-A240 PolarHBondContact O-N 2.81Å; G237-A240 VanDerWaalsContact O-N 3.16Å; I238-A240 VanDerWaalsContact C-N 3.33Å; I238-A240 PolarHBondContact O-N 3.13Å; A240-K243 PolarHBondContact O-N 3.41Å; A240-E244 WeakPolarHBondContact O-CG 3.35Å; A240-E244 PolarHBondContact O-N 3.21Å
241V98.7Very high97.9Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-58.5-49.9176.1166.10000111.7I207 F228 D232 V233 M236 G237 I238 K243 E244 A245I207-V241 HydrophobicContact CD1-CG1 4.16Å; I207-V241 HydrophobicContact CG1-CG1 4.08Å; I207-V241 HydrophobicContact CG2-CG1 3.81Å; F228-V241 HydrophobicContact CB-CB 4.47Å; F228-V241 HydrophobicContact CB-CG1 3.46Å; F228-V241 VanDerWaalsContact CB-CG1 3.46Å; F228-V241 HydrophobicContact CB-CG2 4.32Å; F228-V241 HydrophobicContact CD1-CB 4.47Å; F228-V241 HydrophobicContact CD1-CG1 4.11Å; F228-V241 HydrophobicContact CD1-CG2 4.24Å; F228-V241 HydrophobicContact CD2-CG1 4.31Å; F228-V241 HydrophobicContact CG-CG1 3.7Å; D232-V241 HydrophobicContact CB-CG2 4.46Å; V233-V241 HydrophobicContact CG2-CG1 4.4Å; V233-V241 HydrophobicContact CG2-CG2 4.15Å; M236-V241 HydrophobicContact CB-CG2 4.35Å; G237-V241 PolarHBondContact O-N 3.42Å; I238-V241 HydrophobicContact CD1-CG1 4.49Å; I238-V241 PolarHBondContact O-N 3.44Å; V241-K243 VanDerWaalsContact C-N 3.29Å; V241-K243 PolarHBondContact O-N 3.32Å; V241-E244 PolarHBondContact O-N 3.25Å; V241-A245 WeakPolarHBondContact O-CB 3.27Å; V241-A245 PolarHBondContact O-N 2.94Å
242I98.3Very high97.7Very high3 Ų358 Ų582%0.01529%0.293CS..Hα-helixtrans-58-45.4178.9-66.4159.5000110.7I238 A245 L246 R289 I290 E293I238-I242 HydrophobicContact CD1-CD1 4.48Å; I238-I242 HydrophobicContact CD1-CG1 4.35Å; I238-I242 HydrophobicContact CG1-CD1 3.83Å; I238-I242 HydrophobicContact CG1-CG1 4.21Å; I238-I242 WeakPolarHBondContact O-CD1 3.36Å; I238-I242 VanDerWaalsContact O-CG1 3.27Å; I238-I242 WeakPolarHBondContact O-CG1 3.23Å; I238-I242 PolarHBondContact O-N 2.61Å; I242-A245 PolarHBondContact O-N 3.03Å; I242-L246 HydrophobicContact CG2-CD1 3.87Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 WeakPolarHBondContact O-CG 3.33Å; I242-L246 PolarHBondContact O-N 3Å; I242-R289 HydrophobicContact CD1-CB 4.36Å; I242-R289 HydrophobicContact CD1-CG 3.93Å; I242-I290 HydrophobicContact CD1-CB 4.32Å; I242-I290 HydrophobicContact CD1-CG1 3.9Å; I242-I290 HydrophobicContact CG1-CB 4.4Å; I242-I290 HydrophobicContact CG1-CG1 3.83Å; I242-E293 HydrophobicContact CD1-CB 4.47Å; I242-E293 HydrophobicContact CD1-CG 4.31Å; I242-E293 HydrophobicContact CG2-CB 3.69Å; I242-E293 HydrophobicContact CG2-CG 4.19Å
243K97.6Very high97.4Very high105 Ų10558.8 Ų58.846%0.45730%0.298SS..Hα-helixtrans-61.7-48.1179.9-179.2-175.8172.2-168.70111.8E239 A240 V241 L246 L247E239-K243 WeakPolarHBondContact O-CB 3.29Å; E239-K243 PolarHBondContact O-N 3.07Å; A240-K243 PolarHBondContact O-N 3.41Å; V241-K243 VanDerWaalsContact C-N 3.29Å; V241-K243 PolarHBondContact O-N 3.32Å; K243-L246 PolarHBondContact O-N 3.18Å; K243-L247 HydrophobicContact CG-CD1 3.98Å; K243-L247 HydrophobicContact CG-CG 4.47Å; K243-L247 WeakPolarHBondContact O-CB 3.26Å; K243-L247 VanDerWaalsContact O-CG 3.23Å; K243-L247 WeakPolarHBondContact O-CG 2.96Å; K243-L247 PolarHBondContact O-N 2.52Å
244E98.5Very high97.1Very high86 Ų8663.7 Ų63.740%0.40232%0.32SS..Hα-helixtrans-65.8-38.7179.5-67-56.8133.800111.5F228 M236 A240 V241 L247 A248F228-E244 HydrophobicContact CE1-CB 3.52Å; F228-E244 HydrophobicContact CE1-CG 4.46Å; F228-E244 HydrophobicContact CZ-CB 3.47Å; F228-E244 VanDerWaalsContact CZ-CB 3.47Å; M236-E244 HydrophobicContact CE-CG 3.98Å; A240-E244 WeakPolarHBondContact O-CG 3.35Å; A240-E244 PolarHBondContact O-N 3.21Å; V241-E244 PolarHBondContact O-N 3.25Å; E244-L247 PolarHBondContact O-N 3.09Å; E244-A248 WeakPolarHBondContact O-CB 3.21Å; E244-A248 PolarHBondContact O-N 3.2Å
245A98.6Very high97Very high0 Ų060.3 Ų60.30%030%0.3CS..Hα-helixtrans-61.5-48.9174.700000112.3L151 A205 I207 F228 V241 I242 L247 A248 V249L151-A245 HydrophobicContact CD2-CB 4.26Å; A205-A245 HydrophobicContact CB-CB 4.03Å; I207-A245 HydrophobicContact CD1-CB 3.81Å; I207-A245 HydrophobicContact CG1-CB 4.15Å; F228-A245 HydrophobicContact CD2-CB 3.91Å; F228-A245 VanDerWaalsContact CE2-CA 3.48Å; F228-A245 HydrophobicContact CE2-CB 3.6Å; F228-A245 HydrophobicContact CZ-CB 4.42Å; V241-A245 WeakPolarHBondContact O-CB 3.27Å; V241-A245 PolarHBondContact O-N 2.94Å; I242-A245 PolarHBondContact O-N 3.03Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.88Å; A245-A248 PolarHBondContact O-N 3.08Å; A245-V249 PolarHBondContact O-N 3.07Å
246L97.9Very high96.9Very high18 Ų1851.9 Ų51.99%0.09427%0.27CS..Hα-helixtrans-62.6-40176.3-75.5171.1000112.2L151 I242 K243 A248 N250 I257 T297L151-L246 HydrophobicContact CD1-CD2 3.89Å; I242-L246 HydrophobicContact CG2-CD1 3.87Å; I242-L246 HydrophobicContact CG2-CG 4.44Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 WeakPolarHBondContact O-CG 3.33Å; I242-L246 PolarHBondContact O-N 3Å; K243-L246 PolarHBondContact O-N 3.18Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-N250 CarbonylContact O-C 3.34Å; L246-N250 WeakPolarHBondContact O-CA 3.3Å; L246-N250 PolarHBondContact O-N 3.16Å; L246-I257 HydrophobicContact CD2-CD1 3.81Å; L246-T297 HydrophobicContact CD1-CG2 4.03Å; L246-T297 HydrophobicContact CD2-CG2 4.27Å
247L98Very high96.9Very high59 Ų5947.8 Ų47.831%0.30925%0.25SC..Hα-helixtrans-65.1-36.8176-76.5173.5000112.3V5 K243 E244 A245 P251V5-L247 HydrophobicContact CG2-CD2 4.23Å; K243-L247 HydrophobicContact CG-CD1 3.98Å; K243-L247 HydrophobicContact CG-CG 4.47Å; K243-L247 WeakPolarHBondContact O-CB 3.26Å; K243-L247 VanDerWaalsContact O-CG 3.23Å; K243-L247 WeakPolarHBondContact O-CG 2.96Å; K243-L247 PolarHBondContact O-N 2.52Å; E244-L247 PolarHBondContact O-N 3.09Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 2.88Å; L247-P251 WeakPolarHBondContact O-CB 3.49Å; L247-P251 WeakPolarHBondContact O-CD 3.49Å
248A98.1Very high96.9Very high51 Ų5146.1 Ų46.142%0.42123%0.233SC..Hα-helixtrans-63.7-45.7179.600000111.9A226 E244 A245 L246A226-A248 HydrophobicContact CB-CB 3.7Å; E244-A248 WeakPolarHBondContact O-CB 3.21Å; E244-A248 PolarHBondContact O-N 3.2Å; A245-A248 PolarHBondContact O-N 3.08Å; L246-A248 VanDerWaalsContact C-N 3.34Å
249V98Very high97Very high1 Ų145.3 Ų45.31%0.00623%0.228CC..Hα-helixtrans-99.4-26.1-172.2-57.60000114.1C149 L151 I204 A205 A245 K255C149-V249 HydrophobicContact CB-CB 3.79Å; C149-V249 HydrophobicContact CB-CG2 3.8Å; L151-V249 HydrophobicContact CD2-CG2 4.01Å; I204-V249 VanDerWaalsContact C-CG1 3.43Å; A205-V249 HydrophobicContact CB-CG1 3.69Å; A245-V249 PolarHBondContact O-N 3.07Å; V249-K255 WeakPolarHBondContact O-CD 3.19Å; V249-K255 PolarHBondContact O-NZ 3.31Å
250N96.4Very high97.1Very high3 Ų340.7 Ų40.72%0.01621%0.207CC..  trans-141.957.3-174.8-158.5-0.6000112.9L246 R252 L253 E254 K255L246-N250 CarbonylContact O-C 3.34Å; L246-N250 WeakPolarHBondContact O-CA 3.3Å; L246-N250 PolarHBondContact O-N 3.16Å; N250-R252 PolarHBondContact O-N 2.82Å; N250-L253 PolarHBondContact O-N 2.93Å; N250-L253 VanDerWaalsContact OD1-CA 3.28Å; N250-L253 WeakPolarHBondContact OD1-CA 3.36Å; N250-L253 PolarHBondContact OD1-N 2.85Å; N250-E254 PolarHBondContact OD1-N 3.46Å; N250-K255 PolarHBondContact ND2-O 2.91Å; N250-K255 PolarHBondContact OD1-N 3.2Å; N250-K255 VanDerWaalsContact OD1-N 3.12Å
251P95.7Very high97.1Very high86 Ų8639.1 Ų39.156%0.55819%0.194SC*.THydrogen-bonded Turntrans-61-20.2-171.822.6-33.9000115L247L247-P251 WeakPolarHBondContact O-CB 3.49Å; L247-P251 WeakPolarHBondContact O-CD 3.49Å
252R93.9Very high97.1Very high185 Ų18539.2 Ų39.270%0.69820%0.195SC*.THydrogen-bonded Turntrans-106.60.5177.6-59.8-165.9-59.5-118.8-2.1113.6N250 E254N250-R252 PolarHBondContact O-N 2.82Å; R252-E254 HydrophobicContact CB-CG 3.92Å; R252-E254 IonicContact CZ-OE2 3.77Å; R252-E254 VanDerWaalsContact CZ-OE2 3.25Å; R252-E254 VanDerWaalsContact NE-CD 3.28Å; R252-E254 IonicContact NE-OE1 3.04Å; R252-E254 PolarHBondContact NE-OE1 2.92Å; R252-E254 VanDerWaalsContact NE-OE1 3.15Å; R252-E254 IonicContact NE-OE2 3.7Å; R252-E254 PolarHBondContact NE-OE2 3.36Å; R252-E254 IonicContact NH2-OE2 2.75Å; R252-E254 PolarHBondContact NH2-OE2 2.97Å; R252-E254 PolarHBondContact O-N 3.36Å
253L92.1Very high97.1Very high57 Ų5739.1 Ų39.130%0.29819%0.194SC..SBendtrans51.242.7-174.2-61.1175.9000112.5N250 T297 K299N250-L253 PolarHBondContact O-N 2.93Å; N250-L253 VanDerWaalsContact OD1-CA 3.28Å; N250-L253 WeakPolarHBondContact OD1-CA 3.36Å; N250-L253 PolarHBondContact OD1-N 2.85Å; L253-T297 HydrophobicContact CD2-CG2 4.13Å; L253-K299 WeakPolarHBondContact O-CD 3.47Å; L253-K299 WeakPolarHBondContact O-CE 3.49Å; L253-K299 PolarHBondContact O-NZ 3.46Å
254E93.1Very high97.2Very high106 Ų10634.1 Ų34.150%0.49517%0.172SC..  trans-98.4-38.2-179-75.8167.2-175.600111.4N250 R252N250-E254 PolarHBondContact OD1-N 3.46Å; R252-E254 HydrophobicContact CB-CG 3.92Å; R252-E254 IonicContact CZ-OE2 3.77Å; R252-E254 VanDerWaalsContact CZ-OE2 3.25Å; R252-E254 VanDerWaalsContact NE-CD 3.28Å; R252-E254 IonicContact NE-OE1 3.04Å; R252-E254 PolarHBondContact NE-OE1 2.92Å; R252-E254 VanDerWaalsContact NE-OE1 3.15Å; R252-E254 IonicContact NE-OE2 3.7Å; R252-E254 PolarHBondContact NE-OE2 3.36Å; R252-E254 IonicContact NH2-OE2 2.75Å; R252-E254 PolarHBondContact NH2-OE2 2.97Å; R252-E254 PolarHBondContact O-N 3.36Å
255K95Very high97.2Very high53 Ų5330 Ų3023%0.2315%0.153CC..SBendtrans-74.2151.2-174.8-57.3178.6-179171.60112.3D147 C149 N203 V249 N250D147-K255 WeakPolarHBondContact O-CB 3.45Å; D147-K255 VanDerWaalsContact O-CD 3.24Å; D147-K255 WeakPolarHBondContact O-CD 3.41Å; D147-K255 WeakPolarHBondContact O-CG 3.28Å; C149-K255 HydrophobicContact CB-CD 4.13Å; N203-K255 PolarHBondContact OD1-NZ 3.03Å; V249-K255 WeakPolarHBondContact O-CD 3.19Å; V249-K255 PolarHBondContact O-NZ 3.31Å; N250-K255 PolarHBondContact ND2-O 2.91Å; N250-K255 PolarHBondContact OD1-N 3.2Å; N250-K255 VanDerWaalsContact OD1-N 3.12Å
256A96.2Very high97.2Very high9 Ų930.1 Ų30.17%0.07415%0.153CC..PPolyproline II helixtrans-67.8139.8165.200000110.7K145 L148 C149K145-A256 HydrophobicContact CB-CB 4.27Å; K145-A256 HydrophobicContact CD-CB 3.57Å; L148-A256 CarbonylContact C-O 3.58Å; L148-A256 VanDerWaalsContact CA-O 3.24Å; L148-A256 WeakPolarHBondContact CA-O 3.18Å; L148-A256 HydrophobicContact CB-CB 4.31Å; C149-A256 PolarHBondContact N-O 2.68Å; C149-A256 PolarHBondContact SG-O 3.1Å
257I98Very high97.3Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-99.9124.1176.8-60168.7000108.7L151 L246 V294 T297 K299 L300 S301 V302L151-I257 HydrophobicContact CD1-CG2 4.15Å; L151-I257 HydrophobicContact CG-CG2 4.24Å; L246-I257 HydrophobicContact CD2-CD1 3.81Å; I257-V294 HydrophobicContact CD1-CG1 4.33Å; I257-V294 HydrophobicContact CG2-CG1 3.86Å; I257-T297 HydrophobicContact CD1-CG2 4.19Å; I257-K299 HydrophobicContact CD1-CB 3.8Å; I257-K299 HydrophobicContact CG1-CB 3.98Å; I257-K299 PolarHBondContact N-O 3.3Å; I257-L300 HydrophobicContact CG2-CD1 4.44Å; I257-S301 PolarHBondContact O-N 3.46Å; I257-V302 PolarHBondContact O-N 3.09Å
258H98.7Very high97.3Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-94.7115.4160.1-164.3127.9000107.1I138 H141 L148 C149 V150 L151 E304I138-H258 VanDerWaalsContact CG1-CE1 3.5Å; I138-H258 WeakPolarHBondContact CG1-CE1 3.15Å; H141-H258 AromaticContact CG-ND1 3.88Å; H141-H258 AromaticContact ND1-CG 3.61Å; H141-H258 AromaticContact ND1-ND1 3.11Å; H141-H258 PolarHBondContact ND1-ND1 3.28Å; H141-H258 VanDerWaalsContact ND1-ND1 3.11Å; L148-H258 HydrophobicContact CD1-CB 4.24Å; C149-H258 PolarHBondContact O-N 2.99Å; V150-H258 WeakPolarHBondContact CA-O 3.48Å; V150-H258 HydrophobicContact CG2-CB 4.3Å; L151-H258 PolarHBondContact N-O 2.93Å; H258-E304 IonicContact NE2-OE1 2.81Å; H258-E304 PolarHBondContact NE2-OE1 3.31Å; H258-E304 IonicContact NE2-OE2 3.25Å
259L98.8Very high97.3Very high0 Ų033.1 Ų33.10%016%0.164CC..EExtended strand (participates in β ladder)trans-99.5104.2173.4179.565.2000108.1L151 I153 V294 L300 V302 V303 E304L151-L259 HydrophobicContact CB-CD1 3.78Å; L151-L259 HydrophobicContact CD1-CD1 4.47Å; I153-L259 HydrophobicContact CD1-CD1 3.99Å; I153-L259 HydrophobicContact CG1-CD1 3.55Å; L259-V294 HydrophobicContact CD2-CG1 4.33Å; L259-L300 HydrophobicContact CB-CD1 3.65Å; L259-V302 PolarHBondContact N-O 2.77Å; L259-V303 HydrophobicContact CB-CB 4.49Å; L259-V303 HydrophobicContact CB-CG2 4.43Å; L259-V303 HydrophobicContact CD2-CG2 4.15Å; L259-V303 HydrophobicContact CG-CG2 4.4Å; L259-V303 CarbonylContact O-C 3.55Å; L259-V303 VanDerWaalsContact O-CA 3.31Å; L259-V303 WeakPolarHBondContact O-CA 3.41Å; L259-E304 PolarHBondContact O-N 2.87Å
260S98.9Very high97.3Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-91.9120.8168.7-170.50000109.2H131 L151 I153 E304H131-S260 PolarHBondContact NE2-OG 3.38Å; L151-S260 PolarHBondContact O-N 2.98Å; I153-S260 PolarHBondContact N-O 3.27Å; S260-E304 WeakPolarHBondContact CB-OE1 3.31Å; S260-E304 VanDerWaalsContact OG-CG 3.29Å; S260-E304 WeakPolarHBondContact OG-CG 3.4Å; S260-E304 PolarHBondContact OG-OE1 2.8Å
261F98.9Very high97.4Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-119.7107.6-176.7-158.9-62.4000109I153 A265 L266 E304 L305 A306 I328I153-F261 HydrophobicContact CB-CD2 3.85Å; I153-F261 HydrophobicContact CB-CE2 4.11Å; I153-F261 HydrophobicContact CB-CG 4.12Å; I153-F261 HydrophobicContact CG1-CD2 3.93Å; I153-F261 HydrophobicContact CG1-CE2 4.35Å; I153-F261 HydrophobicContact CG2-CD2 3.99Å; I153-F261 HydrophobicContact CG2-CE1 4.44Å; I153-F261 HydrophobicContact CG2-CE2 3.71Å; I153-F261 HydrophobicContact CG2-CG 4.48Å; I153-F261 HydrophobicContact CG2-CZ 3.94Å; F261-A265 HydrophobicContact CE1-CB 4.25Å; F261-L266 HydrophobicContact CE1-CD2 4.36Å; F261-L266 HydrophobicContact CE1-CG 4.09Å; F261-L266 HydrophobicContact CZ-CD2 3.97Å; F261-L266 HydrophobicContact CZ-CG 4.21Å; F261-E304 WeakPolarHBondContact CB-O 3.35Å; F261-E304 PolarHBondContact N-O 3.2Å; F261-L305 HydrophobicContact CB-CD1 4.23Å; F261-L305 HydrophobicContact CD1-CD1 3.86Å; F261-L305 HydrophobicContact CG-CD1 4.32Å; F261-L305 VanDerWaalsContact O-CA 3.29Å; F261-L305 WeakPolarHBondContact O-CA 3.3Å; F261-A306 PolarHBondContact O-N 3.16Å; F261-I328 HydrophobicContact CD1-CG2 4.3Å; F261-I328 HydrophobicContact CD2-CG2 3.92Å; F261-I328 HydrophobicContact CE1-CG2 4.4Å; F261-I328 HydrophobicContact CE2-CD1 4.04Å; F261-I328 HydrophobicContact CE2-CG2 4Å; F261-I328 HydrophobicContact CG-CG2 4.09Å; F261-I328 HydrophobicContact CZ-CD1 3.88Å; F261-I328 HydrophobicContact CZ-CG1 4.27Å; F261-I328 HydrophobicContact CZ-CG2 4.26Å
262D98.8Very high97.5Very high2 Ų231.9 Ų31.91%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-76.6129.6164.3-159.1-52.1000109.1H131 I153 D154 D264 A265 E307H131-D262 IonicContact CE1-OD2 2.65Å; H131-D262 IonicContact CG-OD2 2.77Å; H131-D262 IonicContact ND1-OD2 3.68Å; H131-D262 PolarHBondContact ND1-OD2 3Å; I153-D262 PolarHBondContact O-N 2.97Å; D154-D262 HydrophobicContact CB-CB 4.16Å; D154-D262 WeakPolarHBondContact OD2-CB 3.37Å; D262-D264 PolarHBondContact O-N 3.23Å; D262-D264 WeakPolarHBondContact OD1-CB 3.34Å; D262-D264 PolarHBondContact OD1-N 3.38Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 3.12Å; D262-E307 WeakPolarHBondContact OD1-CB 3.3Å; D262-E307 WeakPolarHBondContact OD2-CG 3.48Å
263I98.7Very high97.7Very high0 Ų023.1 Ų23.10%012%0.123CC..G310 helixtrans-61.2-26.7177.4-162.566.7000111.8A265 L266 A271 L305 A306 E307 L308 T321 A325I263-A265 PolarHBondContact O-N 2.99Å; I263-L266 HydrophobicContact CD1-CD1 4.03Å; I263-L266 WeakPolarHBondContact O-CB 3.4Å; I263-L266 PolarHBondContact O-N 3.32Å; I263-A271 HydrophobicContact CD1-CB 4.42Å; I263-A271 HydrophobicContact CG1-CB 3.85Å; I263-L305 HydrophobicContact CB-CD1 4.43Å; I263-L305 HydrophobicContact CD1-CD1 4.14Å; I263-A306 WeakPolarHBondContact CG2-O 3.21Å; I263-A306 PolarHBondContact N-O 3.32Å; I263-E307 HydrophobicContact CG2-CB 4.2Å; I263-L308 HydrophobicContact CB-CD2 3.98Å; I263-L308 HydrophobicContact CD1-CD2 4.16Å; I263-L308 HydrophobicContact CG1-CD2 3.72Å; I263-L308 HydrophobicContact CG2-CD2 4.09Å; I263-T321 HydrophobicContact CG1-CG2 3.89Å; I263-A325 HydrophobicContact CD1-CB 4.01Å
264D98.6Very high98Very high1 Ų120.7 Ų20.71%0.00511%0.11CC..G310 helixtrans-74.9-5.7177.579.719.8000114H156 R210 D262 L266 T274 T276H156-D264 IonicContact CE1-OD1 3.48Å; H156-D264 IonicContact CE1-OD2 3.34Å; H156-D264 PolarHBondContact CE1-OD2 3.22Å; H156-D264 IonicContact ND1-OD1 3.12Å; H156-D264 PolarHBondContact ND1-OD1 3.01Å; H156-D264 IonicContact ND1-OD2 3.64Å; H156-D264 PolarHBondContact ND1-OD2 3.28Å; R210-D264 PolarHBondContact NH2-O 3.34Å; D262-D264 PolarHBondContact O-N 3.23Å; D262-D264 WeakPolarHBondContact OD1-CB 3.34Å; D262-D264 PolarHBondContact OD1-N 3.38Å; D264-L266 PolarHBondContact O-N 3.32Å; D264-L266 VanDerWaalsContact O-O 3.11Å; D264-T274 HydrophobicContact CB-CG2 3.56Å; D264-T276 PolarHBondContact OD2-OG1 2.83Å
265A98.8Very high98.1Very high0 Ų016 Ų160%09%0.09CC..G310 helixtrans-59.5-32.5164.700000111.6I153 R210 F261 D262 I263 L282I153-A265 HydrophobicContact CG2-CB 3.82Å; I153-A265 WeakPolarHBondContact O-CB 3.26Å; R210-A265 PolarHBondContact NH1-O 3.05Å; R210-A265 PolarHBondContact NH2-O 3.2Å; F261-A265 HydrophobicContact CE1-CB 4.25Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 3.12Å; I263-A265 PolarHBondContact O-N 2.99Å; A265-L282 HydrophobicContact CB-CD1 4.3Å; A265-L282 PolarHBondContact O-N 2.85Å
266L98.8Very high98.2Very high1 Ų115.8 Ų15.81%0.0059%0.093CC..BIsolated β-bridgetrans-74.4152174.6-59.1-177.6000111.2R210 F261 I263 D264 V270 A271 L282 I328R210-L266 PolarHBondContact NH2-O 2.96Å; F261-L266 HydrophobicContact CE1-CD2 4.36Å; F261-L266 HydrophobicContact CE1-CG 4.09Å; F261-L266 HydrophobicContact CZ-CD2 3.97Å; F261-L266 HydrophobicContact CZ-CG 4.21Å; I263-L266 HydrophobicContact CD1-CD1 4.03Å; I263-L266 WeakPolarHBondContact O-CB 3.4Å; I263-L266 PolarHBondContact O-N 3.32Å; D264-L266 PolarHBondContact O-N 3.32Å; D264-L266 VanDerWaalsContact O-O 3.11Å; L266-V270 HydrophobicContact CB-CG2 3.89Å; L266-V270 HydrophobicContact CD1-CG2 4.31Å; L266-A271 HydrophobicContact CB-CB 3.89Å; L266-A271 HydrophobicContact CD1-CB 4.3Å; L266-L282 CarbonylContact C-O 3.58Å; L266-L282 WeakPolarHBondContact CA-O 3.03Å; L266-L282 HydrophobicContact CD2-CB 3.96Å; L266-I328 HydrophobicContact CD1-CG1 4.37Å
267D98.8Very high98.3Very high24 Ų2417.6 Ų17.613%0.12811%0.109CC..  trans-62.8141.3176-168.7-89.3000111.4L269 V270 A271 G280 G281 L282D267-L269 PolarHBondContact O-N 3Å; D267-L269 WeakPolarHBondContact OD1-CB 3.36Å; D267-L269 WeakPolarHBondContact OD1-CG 3.45Å; D267-L269 PolarHBondContact OD1-N 3.42Å; D267-V270 VanDerWaalsContact O-CG2 3.29Å; D267-V270 WeakPolarHBondContact O-CG2 3.4Å; D267-V270 PolarHBondContact O-N 3.03Å; D267-A271 PolarHBondContact O-N 3.22Å; D267-G280 WeakPolarHBondContact OD2-CA 3.46Å; D267-G280 PolarHBondContact OD2-N 3.35Å; D267-G281 PolarHBondContact OD2-N 2.96Å; D267-L282 PolarHBondContact N-O 3.38Å
268P98.4Very high98.3Very high31 Ų3118.7 Ų18.720%0.20112%0.115CC..THydrogen-bonded Turntrans-57.8-16.9177.9-25.835.7000114.1V270 P272 A277 V278P268-V270 PolarHBondContact O-N 3.05Å; P268-P272 WeakPolarHBondContact O-CA 3.43Å; P268-P272 WeakPolarHBondContact O-CB 3.45Å; P268-P272 VanDerWaalsContact O-CD 3.25Å; P268-P272 WeakPolarHBondContact O-CD 3.34Å; P268-A277 HydrophobicContact CB-CB 4.25Å; P268-A277 HydrophobicContact CG-CB 3.87Å; P268-V278 WeakPolarHBondContact CD-O 3.26Å
269L98Very high98.2Very high137 Ų13723.6 Ų23.672%0.71715%0.147SC*.THydrogen-bonded Turntrans-62.2-27.6170.9-70.1174.6000113.5D267 K320D267-L269 PolarHBondContact O-N 3Å; D267-L269 WeakPolarHBondContact OD1-CB 3.36Å; D267-L269 WeakPolarHBondContact OD1-CG 3.45Å; D267-L269 PolarHBondContact OD1-N 3.42Å; L269-K320 WeakPolarHBondContact O-CD 3.31Å
270V98.2Very high98.2Very high36 Ų3625.8 Ų25.822%0.21817%0.17CC..THydrogen-bonded Turntrans-116.6-19.1-179.2-60.70000113.7L266 D267 P268 P272 L284 S324L266-V270 HydrophobicContact CB-CG2 3.89Å; L266-V270 HydrophobicContact CD1-CG2 4.31Å; D267-V270 VanDerWaalsContact O-CG2 3.29Å; D267-V270 WeakPolarHBondContact O-CG2 3.4Å; D267-V270 PolarHBondContact O-N 3.03Å; P268-V270 PolarHBondContact O-N 3.05Å; V270-P272 VanDerWaalsContact C-CD 3.48Å; V270-L284 HydrophobicContact CG1-CB 4.37Å; V270-L284 HydrophobicContact CG2-CB 4.43Å; V270-S324 PolarHBondContact O-OG 3.47Å
271A98.3Very high98.2Very high0 Ų026.2 Ų26.20%017%0.174CC..  trans-134.360.4176.700000112.9I263 L266 D267 S273 T321I263-A271 HydrophobicContact CD1-CB 4.42Å; I263-A271 HydrophobicContact CG1-CB 3.85Å; L266-A271 HydrophobicContact CB-CB 3.89Å; L266-A271 HydrophobicContact CD1-CB 4.3Å; D267-A271 PolarHBondContact O-N 3.22Å; A271-S273 PolarHBondContact O-N 2.97Å; A271-T321 HydrophobicContact CB-CG2 4.19Å
272P98.4Very high98.2Very high27 Ų2726.2 Ų26.218%0.17517%0.174CC..  trans-68.6-24.8-176.825.6-35.7000115.3P268 V270 T274 D317 K320 T321P268-P272 WeakPolarHBondContact O-CA 3.43Å; P268-P272 WeakPolarHBondContact O-CB 3.45Å; P268-P272 VanDerWaalsContact O-CD 3.25Å; P268-P272 WeakPolarHBondContact O-CD 3.34Å; V270-P272 VanDerWaalsContact C-CD 3.48Å; P272-T274 VanDerWaalsContact C-N 3.33Å; P272-T274 PolarHBondContact O-N 2.96Å; P272-T274 VanDerWaalsContact O-N 3.11Å; P272-D317 HydrophobicContact CB-CB 3.99Å; P272-D317 HydrophobicContact CG-CB 3.48Å; P272-D317 VanDerWaalsContact CG-CB 3.48Å; P272-D317 WeakPolarHBondContact CG-OD1 3.45Å; P272-K320 HydrophobicContact CG-CD 4.41Å; P272-T321 VanDerWaalsContact CD-OG1 3.22Å; P272-T321 WeakPolarHBondContact CD-OG1 3.39Å
273S98.5Very high98.2Very high2 Ų229.2 Ų29.21%0.01419%0.192CC..SBendtrans-90.164.6-173.4-64.50000112.2A271 N309 L312 D317 V318 T321A271-S273 PolarHBondContact O-N 2.97Å; S273-N309 PolarHBondContact O-N 3.05Å; S273-L312 VanDerWaalsContact CB-O 3.29Å; S273-L312 WeakPolarHBondContact CB-O 3.22Å; S273-L312 PolarHBondContact OG-O 3.44Å; S273-D317 VanDerWaalsContact OG-C 3.23Å; S273-D317 PolarHBondContact OG-O 3.18Å; S273-V318 WeakPolarHBondContact OG-CA 3.34Å; S273-V318 PolarHBondContact OG-N 3.4Å; S273-T321 WeakPolarHBondContact CB-OG1 3.48Å; S273-T321 PolarHBondContact N-OG1 3.39Å
274T98.2Very high98.1Very high5 Ų531.4 Ų31.43%0.03120%0.204CC..SBendtrans-139.3159.5178.2-175.80000111.9D264 P272 A277 E307 L312D264-T274 HydrophobicContact CB-CG2 3.56Å; P272-T274 VanDerWaalsContact C-N 3.33Å; P272-T274 PolarHBondContact O-N 2.96Å; P272-T274 VanDerWaalsContact O-N 3.11Å; T274-A277 HydrophobicContact CG2-CB 3.86Å; T274-E307 PolarHBondContact OG1-O 3.19Å; T274-L312 VanDerWaalsContact O-CD1 3.22Å; T274-L312 WeakPolarHBondContact O-CD1 3.5Å
275G96.1Very high98.1Very high8 Ų840.6 Ų40.68%0.08224%0.239CC..THydrogen-bonded Turntrans-67.6-39.6-17500000114.2K37K37-G275 WeakPolarHBondContact CE-O 3.44Å; K37-G275 PolarHBondContact NZ-O 2.96Å
276T96.4Very high98.1Very high48 Ų4842.5 Ų42.529%0.29425%0.247SC..THydrogen-bonded Turntrans-128.247.1-166.530.60000111.2H156 D264 V278H156-T276 VanDerWaalsContact CE1-CB 3.47Å; H156-T276 WeakPolarHBondContact CE1-CB 3.46Å; H156-T276 PolarHBondContact CE1-O 2.75Å; H156-T276 VanDerWaalsContact CE1-O 3.27Å; D264-T276 PolarHBondContact OD2-OG1 2.83Å; T276-V278 WeakPolarHBondContact O-CG2 3.4Å; T276-V278 PolarHBondContact O-N 3.07Å; T276-V278 VanDerWaalsContact O-N 3.17Å
277A97.1Very high98.1Very high48 Ų4842.4 Ų42.440%0.39725%0.247SC..  trans-57.6116.7-178.100000113.4P268 T274P268-A277 HydrophobicContact CB-CB 4.25Å; P268-A277 HydrophobicContact CG-CB 3.87Å; T274-A277 HydrophobicContact CG2-CB 3.86Å
278V98Very high98.1Very high22 Ų2242.3 Ų42.313%0.13325%0.246CC..  trans-113120.9176.6-168.60000111A155 R210 D211 P268 T276A155-V278 HydrophobicContact CB-CB 4.24Å; A155-V278 HydrophobicContact CB-CG2 4Å; R210-V278 HydrophobicContact CG-CB 4.2Å; R210-V278 HydrophobicContact CG-CG1 3.86Å; R210-V278 PolarHBondContact NE-O 2.92Å; R210-V278 PolarHBondContact NH2-O 3.03Å; D211-V278 HydrophobicContact CB-CG1 4.17Å; D211-V278 HydrophobicContact CB-CG2 3.79Å; P268-V278 WeakPolarHBondContact CD-O 3.26Å; T276-V278 WeakPolarHBondContact O-CG2 3.4Å; T276-V278 PolarHBondContact O-N 3.07Å; T276-V278 VanDerWaalsContact O-N 3.17Å
279P98Very high98Very high103 Ų10343.2 Ų43.267%0.66925%0.245SC*.SBendtrans-61.5157.4177.1-22.833.4000114.2
280G98Very high98Very high47 Ų4736.7 Ų36.749%0.48521%0.211SC..SBendtrans77.134-178.900000112R210 M230 D267R210-G280 WeakPolarHBondContact CD-O 3.11Å; M230-G280 WeakPolarHBondContact CE-O 3.24Å; M230-G280 VanDerWaalsContact CG-O 3.3Å; M230-G280 WeakPolarHBondContact CG-O 3.26Å; D267-G280 WeakPolarHBondContact OD2-CA 3.46Å; D267-G280 PolarHBondContact OD2-N 3.35Å
281G98.7Very high98Very high8 Ų835 Ų358%0.08220%0.201CC..  trans-88.4-174.4-179.300000113.9M230 D267 T283M230-G281 VanDerWaalsContact CE-C 3.46Å; M230-G281 WeakPolarHBondContact CE-O 3.3Å; D267-G281 PolarHBondContact OD2-N 2.96Å; G281-T283 PolarHBondContact O-N 3.19Å
282L98.8Very high97.8Very high0 Ų035.8 Ų35.80%021%0.205CC..BIsolated β-bridgetrans-64135.2176.6-65169.9000110.2I153 M230 V233 I238 A265 L266 D267 E286 I290I153-L282 HydrophobicContact CG2-CD1 3.79Å; M230-L282 HydrophobicContact CE-CD2 4.19Å; M230-L282 HydrophobicContact SD-CD2 3.66Å; M230-L282 HydrophobicContact SD-CG 3.88Å; V233-L282 HydrophobicContact CG1-CD2 4.32Å; V233-L282 HydrophobicContact CG2-CD2 4.21Å; I238-L282 HydrophobicContact CD1-CD2 4.15Å; A265-L282 HydrophobicContact CB-CD1 4.3Å; A265-L282 PolarHBondContact O-N 2.85Å; L266-L282 CarbonylContact C-O 3.58Å; L266-L282 WeakPolarHBondContact CA-O 3.03Å; L266-L282 HydrophobicContact CD2-CB 3.96Å; D267-L282 PolarHBondContact N-O 3.38Å; L282-E286 HydrophobicContact CB-CB 4.39Å; L282-E286 HydrophobicContact CD2-CB 4.1Å; L282-I290 HydrophobicContact CD1-CD1 3.74Å
283T98.7Very high97.7Very high65 Ų6536.6 Ų36.640%0.39921%0.206SC..  trans-66.9156.8165.666.70000110G281 R285 E286 G287G281-T283 PolarHBondContact O-N 3.19Å; T283-R285 PolarHBondContact O-N 3.26Å; T283-R285 VanDerWaalsContact O-N 3.13Å; T283-E286 WeakPolarHBondContact CB-OE2 3.4Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.28Å; T283-E286 PolarHBondContact N-OE2 3Å; T283-E286 PolarHBondContact O-N 3.31Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 VanDerWaalsContact OG1-CG 3.31Å; T283-E286 WeakPolarHBondContact OG1-CG 3.47Å; T283-E286 PolarHBondContact OG1-N 3.42Å; T283-E286 PolarHBondContact OG1-OE2 2.89Å; T283-G287 PolarHBondContact O-N 3.07Å
284L98.3Very high97.5Very high46 Ų4636.5 Ų36.524%0.24121%0.206CC..Hα-helixtrans-56.3-32.7173.1-179.460000111.9V270 E286 L288 I328V270-L284 HydrophobicContact CG1-CB 4.37Å; V270-L284 HydrophobicContact CG2-CB 4.43Å; L284-E286 VanDerWaalsContact C-N 3.3Å; L284-E286 PolarHBondContact O-N 2.89Å; L284-L288 HydrophobicContact CD1-CD1 4.23Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.03Å; L284-L288 HydrophobicContact CG-CD1 3.95Å; L284-L288 HydrophobicContact CG-CG 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.19Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.2Å; L284-I328 HydrophobicContact CD1-CD1 4.4Å; L284-I328 HydrophobicContact CD1-CG1 4.45Å
285R98.2Very high97.3Very high195 Ų19536.4 Ų36.474%0.73621%0.205SC*.Hα-helixtrans-63.5-36.9177.7-76.3171.457.6-169.5-4.9112.6T283 R289 R337T283-R285 PolarHBondContact O-N 3.26Å; T283-R285 VanDerWaalsContact O-N 3.13Å; R285-R289 WeakPolarHBondContact O-CB 3.15Å; R285-R289 PolarHBondContact O-N 3.29Å; R285-R337 PolarHBondContact O-NH1 3.11Å
286E98.6Very high97Very high39 Ų3937.3 Ų37.318%0.18221%0.212CC..Hα-helixtrans-76.3-46.5179.5-69.5163140.300110.7V233 I238 L282 T283 L284 L288 R289 I290V233-E286 WeakPolarHBondContact CG1-OE1 3.19Å; I238-E286 HydrophobicContact CB-CB 4.2Å; I238-E286 HydrophobicContact CB-CG 3.88Å; I238-E286 HydrophobicContact CD1-CB 4.28Å; I238-E286 HydrophobicContact CG1-CB 3.88Å; I238-E286 HydrophobicContact CG1-CG 4.14Å; I238-E286 HydrophobicContact CG2-CB 4.42Å; I238-E286 HydrophobicContact CG2-CG 3.91Å; L282-E286 HydrophobicContact CB-CB 4.39Å; L282-E286 HydrophobicContact CD2-CB 4.1Å; T283-E286 WeakPolarHBondContact CB-OE2 3.4Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.28Å; T283-E286 PolarHBondContact N-OE2 3Å; T283-E286 PolarHBondContact O-N 3.31Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 VanDerWaalsContact OG1-CG 3.31Å; T283-E286 WeakPolarHBondContact OG1-CG 3.47Å; T283-E286 PolarHBondContact OG1-N 3.42Å; T283-E286 PolarHBondContact OG1-OE2 2.89Å; L284-E286 VanDerWaalsContact C-N 3.3Å; L284-E286 PolarHBondContact O-N 2.89Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.4Å; E286-R289 WeakPolarHBondContact O-CA 3.12Å; E286-R289 WeakPolarHBondContact O-CB 3.46Å; E286-R289 PolarHBondContact O-N 3.31Å; E286-I290 WeakPolarHBondContact O-CG1 3.35Å; E286-I290 PolarHBondContact O-N 2.71Å
287G98.6Very high96.7Very high0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-55.9-46.7173.700000112.5T283 R289 I290 C291T283-G287 PolarHBondContact O-N 3.07Å; G287-R289 PolarHBondContact O-N 2.91Å; G287-I290 PolarHBondContact O-N 2.88Å; G287-C291 PolarHBondContact O-N 2.94Å; G287-C291 PolarHBondContact O-SG 3.43Å
288L98Very high96.4Very high21 Ų2135.5 Ų35.511%0.1120%0.201CC..Hα-helixtrans-60.4-36.7174.2-69.5172.3000112.1L284 E286 C291 E292 H327 I328 A331L284-L288 HydrophobicContact CD1-CD1 4.23Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.03Å; L284-L288 HydrophobicContact CG-CD1 3.95Å; L284-L288 HydrophobicContact CG-CG 4.24Å; L284-L288 WeakPolarHBondContact O-CB 3.19Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.2Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.4Å; L288-C291 PolarHBondContact O-N 3.2Å; L288-E292 WeakPolarHBondContact O-CB 3.36Å; L288-E292 VanDerWaalsContact O-CG 3.24Å; L288-E292 WeakPolarHBondContact O-CG 3.28Å; L288-E292 PolarHBondContact O-N 3.22Å; L288-H327 VanDerWaalsContact CD2-C 3.48Å; L288-H327 HydrophobicContact CD2-CB 3.87Å; L288-H327 VanDerWaalsContact CD2-O 3.23Å; L288-H327 WeakPolarHBondContact CD2-O 3.13Å; L288-I328 HydrophobicContact CD2-CD1 4.23Å; L288-I328 HydrophobicContact CG-CD1 4.44Å; L288-A331 HydrophobicContact CD2-CB 3.91Å
289R97.4Very high96.2Very high50 Ų5038 Ų3819%0.18921%0.21CC..Hα-helixtrans-69.3-39.7-179-170.857-178.2133.612112.5I238 E239 I242 R285 E286 G287 C291 E292 E293I238-R289 HydrophobicContact CG2-CB 4.43Å; I238-R289 HydrophobicContact CG2-CG 4.35Å; E239-R289 VanDerWaalsContact CD-NE 3.26Å; E239-R289 VanDerWaalsContact OE1-CD 3.3Å; E239-R289 WeakPolarHBondContact OE1-CD 3.33Å; E239-R289 WeakPolarHBondContact OE1-CG 3.12Å; E239-R289 IonicContact OE1-CZ 2.67Å; E239-R289 IonicContact OE1-NE 3.69Å; E239-R289 PolarHBondContact OE1-NE 3.28Å; E239-R289 IonicContact OE1-NH2 3.12Å; E239-R289 IonicContact OE2-CZ 2.97Å; E239-R289 IonicContact OE2-NE 2.66Å; E239-R289 PolarHBondContact OE2-NE 3.07Å; E239-R289 VanDerWaalsContact OE2-NE 3.14Å; E239-R289 IonicContact OE2-NH2 3.24Å; E239-R289 PolarHBondContact OE2-NH2 2.77Å; I242-R289 HydrophobicContact CD1-CB 4.36Å; I242-R289 HydrophobicContact CD1-CG 3.93Å; R285-R289 WeakPolarHBondContact O-CB 3.15Å; R285-R289 PolarHBondContact O-N 3.29Å; E286-R289 WeakPolarHBondContact O-CA 3.12Å; E286-R289 WeakPolarHBondContact O-CB 3.46Å; E286-R289 PolarHBondContact O-N 3.31Å; G287-R289 PolarHBondContact O-N 2.91Å; R289-C291 VanDerWaalsContact C-N 3.31Å; R289-C291 PolarHBondContact O-N 3.42Å; R289-E292 WeakPolarHBondContact CD-OE2 3.25Å; R289-E292 IonicContact NH1-OE2 3.01Å; R289-E292 PolarHBondContact O-N 3.16Å; R289-E293 IonicContact CZ-OE1 3.32Å; R289-E293 IonicContact NH1-OE1 3.7Å; R289-E293 PolarHBondContact NH1-OE1 3.35Å; R289-E293 IonicContact NH2-OE1 3.27Å; R289-E293 PolarHBondContact NH2-OE1 3.19Å; R289-E293 IonicContact NH2-OE2 3.32Å; R289-E293 PolarHBondContact O-N 2.74Å
290I98.4Very high96.1Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-54.5-52.5171.5-63.9166.5000109I153 I207 I238 I242 L282 E286 G287 E292 E293 V294I153-I290 HydrophobicContact CD1-CD1 4.39Å; I153-I290 HydrophobicContact CD1-CG2 3.85Å; I153-I290 HydrophobicContact CG1-CG2 4.21Å; I153-I290 HydrophobicContact CG2-CD1 3.93Å; I207-I290 HydrophobicContact CG2-CD1 3.98Å; I238-I290 HydrophobicContact CD1-CD1 4.01Å; I238-I290 HydrophobicContact CD1-CG1 3.9Å; I238-I290 HydrophobicContact CG1-CG1 4.17Å; I242-I290 HydrophobicContact CD1-CB 4.32Å; I242-I290 HydrophobicContact CD1-CG1 3.9Å; I242-I290 HydrophobicContact CG1-CB 4.4Å; I242-I290 HydrophobicContact CG1-CG1 3.83Å; L282-I290 HydrophobicContact CD1-CD1 3.74Å; E286-I290 WeakPolarHBondContact O-CG1 3.35Å; E286-I290 PolarHBondContact O-N 2.71Å; G287-I290 PolarHBondContact O-N 2.88Å; I290-E292 PolarHBondContact O-N 2.91Å; I290-E293 PolarHBondContact O-N 2.84Å; I290-V294 HydrophobicContact CG2-CG2 4.23Å; I290-V294 WeakPolarHBondContact O-CB 3.29Å; I290-V294 WeakPolarHBondContact O-CG2 3.39Å; I290-V294 PolarHBondContact O-N 2.79Å
291C97.8Very high96Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-62.1-44.9-177.2-61.50000112.5G287 L288 R289 S295 A331 C332G287-C291 PolarHBondContact O-N 2.94Å; G287-C291 PolarHBondContact O-SG 3.43Å; L288-C291 PolarHBondContact O-N 3.2Å; R289-C291 VanDerWaalsContact C-N 3.31Å; R289-C291 PolarHBondContact O-N 3.42Å; C291-S295 WeakPolarHBondContact O-CB 3.26Å; C291-S295 PolarHBondContact O-N 3.14Å; C291-A331 HydrophobicContact CB-CB 3.6Å; C291-C332 VanDerWaalsContact CB-SG 3.56Å; C291-C332 PolarHBondContact SG-SG 3.4Å
292E94.6Very high96Very high17 Ų1730.5 Ų30.58%0.07915%0.152CC..Hα-helixtrans-59.7-45.9177.4-75.9170.8164.700112.2L288 R289 I290 A296 A331 R337L288-E292 WeakPolarHBondContact O-CB 3.36Å; L288-E292 VanDerWaalsContact O-CG 3.24Å; L288-E292 WeakPolarHBondContact O-CG 3.28Å; L288-E292 PolarHBondContact O-N 3.22Å; R289-E292 WeakPolarHBondContact CD-OE2 3.25Å; R289-E292 IonicContact NH1-OE2 3.01Å; R289-E292 PolarHBondContact O-N 3.16Å; I290-E292 PolarHBondContact O-N 2.91Å; E292-A296 WeakPolarHBondContact O-CB 3.08Å; E292-A296 PolarHBondContact O-N 3.45Å; E292-A331 HydrophobicContact CG-CB 4.31Å; E292-R337 VanDerWaalsContact OE1-CG 3.23Å; E292-R337 WeakPolarHBondContact OE1-CG 3.4Å; E292-R337 IonicContact OE1-CZ 2.75Å; E292-R337 PolarHBondContact OE1-N 2.83Å; E292-R337 IonicContact OE1-NE 3.44Å; E292-R337 PolarHBondContact OE1-NE 2.95Å; E292-R337 IonicContact OE1-NH2 3.85Å; E292-R337 IonicContact OE2-CZ 3.74Å; E292-R337 IonicContact OE2-NE 2.76Å; E292-R337 PolarHBondContact OE2-NE 2.65Å; E292-R337 IonicContact OE2-NH2 3.75Å; E292-R337 PolarHBondContact OE2-NH2 3.1Å
293E94.7Very high96Very high45 Ų4530.5 Ų30.521%0.2115%0.152CC..Hα-helixtrans-69.9-44.6179.9-78.1-61.1107.500112.5I242 R289 I290 S295 A296 T297I242-E293 HydrophobicContact CD1-CB 4.47Å; I242-E293 HydrophobicContact CD1-CG 4.31Å; I242-E293 HydrophobicContact CG2-CB 3.69Å; I242-E293 HydrophobicContact CG2-CG 4.19Å; R289-E293 IonicContact CZ-OE1 3.32Å; R289-E293 IonicContact NH1-OE1 3.7Å; R289-E293 PolarHBondContact NH1-OE1 3.35Å; R289-E293 IonicContact NH2-OE1 3.27Å; R289-E293 PolarHBondContact NH2-OE1 3.19Å; R289-E293 IonicContact NH2-OE2 3.32Å; R289-E293 PolarHBondContact O-N 2.74Å; I290-E293 PolarHBondContact O-N 2.84Å; E293-S295 VanDerWaalsContact C-N 3.31Å; E293-S295 PolarHBondContact O-N 2.98Å; E293-A296 PolarHBondContact O-N 3.33Å; E293-T297 WeakPolarHBondContact O-CG2 3.1Å; E293-T297 PolarHBondContact O-N 2.91Å
294V95.1Very high96Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-62-43.7177.6173.40000110.1L151 I257 L259 I290 T297 L300L151-V294 HydrophobicContact CD1-CG1 4.34Å; L151-V294 HydrophobicContact CD1-CG2 3.41Å; L151-V294 VanDerWaalsContact CD1-CG2 3.41Å; I257-V294 HydrophobicContact CD1-CG1 4.33Å; I257-V294 HydrophobicContact CG2-CG1 3.86Å; L259-V294 HydrophobicContact CD2-CG1 4.33Å; I290-V294 HydrophobicContact CG2-CG2 4.23Å; I290-V294 WeakPolarHBondContact O-CB 3.29Å; I290-V294 WeakPolarHBondContact O-CG2 3.39Å; I290-V294 PolarHBondContact O-N 2.79Å; V294-T297 WeakPolarHBondContact O-CB 3.37Å; V294-T297 PolarHBondContact O-N 3.35Å; V294-T297 PolarHBondContact O-OG1 2.86Å; V294-L300 HydrophobicContact CG1-CB 4.23Å; V294-L300 HydrophobicContact CG1-CD1 3.95Å
295S93Very high96Very high2 Ų225.2 Ų25.21%0.01412%0.122CC..Hα-helixtrans-57.1-52.3172.2-169.40000110.5L20 Y21 C291 E293 T297 G298 C332 G334L20-S295 WeakPolarHBondContact CD2-O 3.4Å; Y21-S295 WeakPolarHBondContact CE2-OG 3.4Å; C291-S295 WeakPolarHBondContact O-CB 3.26Å; C291-S295 PolarHBondContact O-N 3.14Å; E293-S295 VanDerWaalsContact C-N 3.31Å; E293-S295 PolarHBondContact O-N 2.98Å; S295-T297 PolarHBondContact O-N 3.13Å; S295-G298 PolarHBondContact O-N 2.92Å; S295-C332 VanDerWaalsContact CB-O 3.28Å; S295-C332 WeakPolarHBondContact CB-O 3.41Å; S295-C332 PolarHBondContact OG-O 2.97Å; S295-G334 WeakPolarHBondContact OG-CA 3.38Å; S295-G334 PolarHBondContact OG-N 3.34Å
296A90.6Very high96Very high28 Ų2816 Ų1623%0.2319%0.087CC..Hα-helixtrans-62.7-15-175.500000115.1P8 E292 E293 G298P8-A296 HydrophobicContact CB-CB 3.8Å; P8-A296 HydrophobicContact CG-CB 3.42Å; P8-A296 VanDerWaalsContact CG-CB 3.42Å; E292-A296 WeakPolarHBondContact O-CB 3.08Å; E292-A296 PolarHBondContact O-N 3.45Å; E293-A296 PolarHBondContact O-N 3.33Å; A296-G298 PolarHBondContact O-N 3.31Å
297T90.9Very high96Very high29 Ų2914.1 Ų14.118%0.1788%0.078CC..THydrogen-bonded Turntrans-61.9-23.6168.369.80000113.2L246 L253 I257 E293 V294 S295 K299L246-T297 HydrophobicContact CD1-CG2 4.03Å; L246-T297 HydrophobicContact CD2-CG2 4.27Å; L253-T297 HydrophobicContact CD2-CG2 4.13Å; I257-T297 HydrophobicContact CD1-CG2 4.19Å; E293-T297 WeakPolarHBondContact O-CG2 3.1Å; E293-T297 PolarHBondContact O-N 2.91Å; V294-T297 WeakPolarHBondContact O-CB 3.37Å; V294-T297 PolarHBondContact O-N 3.35Å; V294-T297 PolarHBondContact O-OG1 2.86Å; S295-T297 PolarHBondContact O-N 3.13Å; T297-K299 PolarHBondContact O-N 3.14Å; T297-K299 WeakPolarHBondContact OG1-CB 3.48Å; T297-K299 PolarHBondContact OG1-N 3.09Å
298G90.6Very high96Very high28 Ų2814.1 Ų14.129%0.2898%0.078SC..THydrogen-bonded Turntrans67.910.3-169.200000113.9S295 A296S295-G298 PolarHBondContact O-N 2.92Å; A296-G298 PolarHBondContact O-N 3.31Å
299K94Very high96.1Very high74 Ų7413.1 Ų13.132%0.3227%0.073SC..  trans-109-9.3-176.2-60.8-68164.4152.50113.9L253 I257 T297 S301L253-K299 WeakPolarHBondContact O-CD 3.47Å; L253-K299 WeakPolarHBondContact O-CE 3.49Å; L253-K299 PolarHBondContact O-NZ 3.46Å; I257-K299 HydrophobicContact CD1-CB 3.8Å; I257-K299 HydrophobicContact CG1-CB 3.98Å; I257-K299 PolarHBondContact N-O 3.3Å; T297-K299 PolarHBondContact O-N 3.14Å; T297-K299 WeakPolarHBondContact OG1-CB 3.48Å; T297-K299 PolarHBondContact OG1-N 3.09Å; K299-S301 PolarHBondContact O-N 2.86Å
300L95.3Very high96.1Very high0 Ų011.9 Ų11.90%07%0.071CC..EExtended strand (participates in β ladder)trans-57.6121.7170.3-178.267.1000109.8I257 L259 V294 V302 V303 C332I257-L300 HydrophobicContact CG2-CD1 4.44Å; L259-L300 HydrophobicContact CB-CD1 3.65Å; V294-L300 HydrophobicContact CG1-CB 4.23Å; V294-L300 HydrophobicContact CG1-CD1 3.95Å; L300-V302 WeakPolarHBondContact CD1-O 3.43Å; L300-V303 HydrophobicContact CD1-CB 4.38Å; L300-C332 HydrophobicContact CD2-CB 3.84Å; L300-C332 WeakPolarHBondContact CD2-O 3.46Å
301S96.3Very high96.1Very high1 Ų116.4 Ų16.41%0.00710%0.095CC..EExtended strand (participates in β ladder)trans-119.1-35.9-177.8-167.90000112.3M106 P123 L124 K145 I257 K299M106-S301 WeakPolarHBondContact CE-OG 3.36Å; P123-S301 WeakPolarHBondContact CA-O 3.42Å; L124-S301 PolarHBondContact N-O 2.91Å; K145-S301 PolarHBondContact NZ-OG 2.86Å; I257-S301 PolarHBondContact O-N 3.46Å; K299-S301 PolarHBondContact O-N 2.86Å
302V98.4Very high96.1Very high0 Ų018.5 Ų18.50%011%0.106CC..EExtended strand (participates in β ladder)trans-133134.2172.2179.90000107.6M106 L124 I126 H141 I257 L259 L300M106-V302 HydrophobicContact CE-CG2 3.92Å; M106-V302 HydrophobicContact SD-CG2 3.75Å; L124-V302 HydrophobicContact CB-CG2 4.29Å; L124-V302 WeakPolarHBondContact O-CA 3.35Å; I126-V302 HydrophobicContact CD1-CG1 3.82Å; I126-V302 HydrophobicContact CG1-CG1 4.29Å; H141-V302 HydrophobicContact CB-CG2 4.18Å; H141-V302 VanDerWaalsContact ND1-CG2 3.32Å; H141-V302 WeakPolarHBondContact ND1-CG2 3.48Å; I257-V302 PolarHBondContact O-N 3.09Å; L259-V302 PolarHBondContact N-O 2.77Å; L300-V302 WeakPolarHBondContact CD1-O 3.43Å
303V98.6Very high96.2Very high0 Ų020.4 Ų20.40%013%0.13CC..EExtended strand (participates in β ladder)trans-117.8130.3160.255.70000107.8L124 V125 I126 L259 L300 L329 C332L124-V303 PolarHBondContact O-N 3.42Å; V125-V303 HydrophobicContact CB-CG1 4.24Å; V125-V303 HydrophobicContact CG1-CG1 4.23Å; V125-V303 HydrophobicContact CG2-CG1 3.88Å; I126-V303 PolarHBondContact N-O 3.46Å; L259-V303 HydrophobicContact CB-CB 4.49Å; L259-V303 HydrophobicContact CB-CG2 4.43Å; L259-V303 HydrophobicContact CD2-CG2 4.15Å; L259-V303 HydrophobicContact CG-CG2 4.4Å; L259-V303 CarbonylContact O-C 3.55Å; L259-V303 VanDerWaalsContact O-CA 3.31Å; L259-V303 WeakPolarHBondContact O-CA 3.41Å; L300-V303 HydrophobicContact CD1-CB 4.38Å; V303-L329 HydrophobicContact CG2-CD2 4.34Å; V303-C332 HydrophobicContact CB-CB 4.37Å; V303-C332 HydrophobicContact CG1-CB 4.13Å; V303-C332 HydrophobicContact CG2-CB 4.3Å
304E98.4Very high96.3Very high0 Ų021 Ų210%014%0.139CC..EExtended strand (participates in β ladder)trans-117.8142.1168.866.8-178.1175.900111I126 M133 A134 T137 H258 L259 S260 F261I126-E304 HydrophobicContact CB-CB 3.85Å; I126-E304 HydrophobicContact CG2-CB 4.26Å; I126-E304 CarbonylContact O-C 3.46Å; I126-E304 VanDerWaalsContact O-CA 3.3Å; I126-E304 WeakPolarHBondContact O-CA 3.38Å; M133-E304 HydrophobicContact CE-CB 4.09Å; M133-E304 HydrophobicContact CE-CG 4.4Å; A134-E304 WeakPolarHBondContact CA-OE1 3.47Å; A134-E304 WeakPolarHBondContact CB-OE1 3.3Å; T137-E304 WeakPolarHBondContact CB-OE2 3.26Å; T137-E304 WeakPolarHBondContact CG2-OE2 3.21Å; T137-E304 VanDerWaalsContact OG1-CD 3.28Å; T137-E304 PolarHBondContact OG1-OE1 3.24Å; T137-E304 PolarHBondContact OG1-OE2 3.45Å; H258-E304 IonicContact NE2-OE1 2.81Å; H258-E304 PolarHBondContact NE2-OE1 3.31Å; H258-E304 IonicContact NE2-OE2 3.25Å; L259-E304 PolarHBondContact O-N 2.87Å; S260-E304 WeakPolarHBondContact CB-OE1 3.31Å; S260-E304 VanDerWaalsContact OG-CG 3.29Å; S260-E304 WeakPolarHBondContact OG-CG 3.4Å; S260-E304 PolarHBondContact OG-OE1 2.8Å; F261-E304 WeakPolarHBondContact CB-O 3.35Å; F261-E304 PolarHBondContact N-O 3.2Å
305L98.9Very high96.4Very high1 Ų128.6 Ų28.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-121.2119.3176.5-177.273.3000109.8I126 G128 F261 I263 L308 A325 I328 L329I126-L305 PolarHBondContact O-N 3.07Å; G128-L305 PolarHBondContact N-O 3.25Å; F261-L305 HydrophobicContact CB-CD1 4.23Å; F261-L305 HydrophobicContact CD1-CD1 3.86Å; F261-L305 HydrophobicContact CG-CD1 4.32Å; F261-L305 VanDerWaalsContact O-CA 3.29Å; F261-L305 WeakPolarHBondContact O-CA 3.3Å; I263-L305 HydrophobicContact CB-CD1 4.43Å; I263-L305 HydrophobicContact CD1-CD1 4.14Å; L305-L308 HydrophobicContact CD2-CD1 3.8Å; L305-L308 HydrophobicContact CD2-CG 4.32Å; L305-L308 HydrophobicContact CG-CD1 4.46Å; L305-A325 HydrophobicContact CD2-CB 3.55Å; L305-I328 HydrophobicContact CD1-CG2 4.46Å; L305-L329 HydrophobicContact CB-CD2 3.93Å; L305-L329 HydrophobicContact CD2-CD1 3.96Å; L305-L329 HydrophobicContact CD2-CD2 4.33Å; L305-L329 HydrophobicContact CD2-CG 4.03Å
306A98.7Very high96.7Very high0 Ų035 Ų350%021%0.205CC..EExtended strand (participates in β ladder)trans-110169.9-174.500000113.7H131 M133 F261 I263 L308H131-A306 HydrophobicContact CB-CB 4.07Å; M133-A306 HydrophobicContact CE-CB 3.79Å; F261-A306 PolarHBondContact O-N 3.16Å; I263-A306 WeakPolarHBondContact CG2-O 3.21Å; I263-A306 PolarHBondContact N-O 3.32Å; A306-L308 VanDerWaalsContact C-N 3.28Å; A306-L308 PolarHBondContact O-N 3.43Å; A306-L308 VanDerWaalsContact O-N 3.13Å
307E98.7Very high97Very high0 Ų035.6 Ų35.60%020%0.204CC..  trans62.518.3165.7-62.4-66.116600117.1T40 G129 D130 H131 H171 D262 I263 T274 N309T40-E307 WeakPolarHBondContact CG2-OE2 3.2Å; G129-E307 PolarHBondContact O-N 3.47Å; D130-E307 VanDerWaalsContact CA-OE1 3.26Å; D130-E307 WeakPolarHBondContact CA-OE1 3.44Å; D130-E307 WeakPolarHBondContact CB-OE1 3.43Å; H131-E307 HydrophobicContact CB-CG 4.32Å; H131-E307 PolarHBondContact N-OE1 2.82Å; H171-E307 IonicContact CE1-OE1 2.87Å; H171-E307 IonicContact CG-OE1 3.05Å; H171-E307 IonicContact ND1-OE1 3.68Å; H171-E307 PolarHBondContact ND1-OE1 3.42Å; D262-E307 WeakPolarHBondContact OD1-CB 3.3Å; D262-E307 WeakPolarHBondContact OD2-CG 3.48Å; I263-E307 HydrophobicContact CG2-CB 4.2Å; T274-E307 PolarHBondContact OG1-O 3.19Å; E307-N309 PolarHBondContact O-N 3.34Å; E307-N309 VanDerWaalsContact O-N 3.14Å
308L98.7Very high97.4Very high0 Ų035.2 Ų35.20%020%0.201CC..  trans-65.5114.3168.8-65.6176.5000110.8T40 L46 I47 V127 I263 L305 A306 T321 A325T40-L308 WeakPolarHBondContact CA-O 3.5Å; L46-L308 HydrophobicContact CD2-CB 4.32Å; I47-L308 HydrophobicContact CD1-CD1 3.83Å; I47-L308 HydrophobicContact CG1-CD1 3.77Å; V127-L308 HydrophobicContact CG1-CD1 4.18Å; I263-L308 HydrophobicContact CB-CD2 3.98Å; I263-L308 HydrophobicContact CD1-CD2 4.16Å; I263-L308 HydrophobicContact CG1-CD2 3.72Å; I263-L308 HydrophobicContact CG2-CD2 4.09Å; L305-L308 HydrophobicContact CD2-CD1 3.8Å; L305-L308 HydrophobicContact CD2-CG 4.32Å; L305-L308 HydrophobicContact CG-CD1 4.46Å; A306-L308 VanDerWaalsContact C-N 3.28Å; A306-L308 PolarHBondContact O-N 3.43Å; A306-L308 VanDerWaalsContact O-N 3.13Å; L308-T321 HydrophobicContact CD2-CG2 3.84Å; L308-A325 HydrophobicContact CD1-CB 4.2Å; L308-A325 HydrophobicContact CD2-CB 3.88Å
309N98.6Very high97.8Very high1 Ų138.3 Ų38.31%0.00521%0.211CC..  trans-126.687.6-175.6-162.4-29.3000112.3K37 G39 T40 S273 E307 L311 L312K37-N309 PolarHBondContact O-ND2 3.28Å; G39-N309 WeakPolarHBondContact CA-OD1 3.38Å; T40-N309 HydrophobicContact CG2-CB 4.19Å; S273-N309 PolarHBondContact O-N 3.05Å; E307-N309 PolarHBondContact O-N 3.34Å; E307-N309 VanDerWaalsContact O-N 3.14Å; N309-L311 PolarHBondContact O-N 3.48Å; N309-L311 PolarHBondContact OD1-N 2.82Å; N309-L312 HydrophobicContact CB-CD1 3.84Å; N309-L312 HydrophobicContact CB-CG 4.14Å; N309-L312 PolarHBondContact O-N 2.7Å
310P98Very high98Very high23 Ų2338.2 Ų38.215%0.14921%0.21CC..THydrogen-bonded Turntrans-69.6-2.9-178.129.4-36.1000114.4Q42 L46 L312 V318Q42-P310 HydrophobicContact CB-CG 3.45Å; Q42-P310 VanDerWaalsContact CB-CG 3.45Å; Q42-P310 HydrophobicContact CG-CG 4.29Å; L46-P310 HydrophobicContact CD1-CB 4.27Å; L46-P310 HydrophobicContact CD2-CB 4.3Å; L46-P310 HydrophobicContact CD2-CG 4.5Å; P310-L312 VanDerWaalsContact C-N 3.3Å; P310-V318 HydrophobicContact CB-CG1 3.78Å; P310-V318 HydrophobicContact CB-CG2 4.31Å; P310-V318 WeakPolarHBondContact O-CG2 3.35Å
311L97.9Very high98.1Very high95 Ų9538.2 Ų38.250%0.49721%0.21SC..THydrogen-bonded Turntrans-85.3-3.4171.1-59.2-172.8000112.9I38 G39 N309I38-L311 HydrophobicContact CG1-CD1 4.39Å; G39-L311 VanDerWaalsContact CA-CD1 3.49Å; N309-L311 PolarHBondContact O-N 3.48Å; N309-L311 PolarHBondContact OD1-N 2.82Å
312L97.8Very high98.2Very high44 Ų4439.5 Ų39.523%0.2322%0.216CC..SBendtrans-111135179-58.4176.9000111.1K37 S273 T274 N309 P310K37-L312 HydrophobicContact CD-CD1 3.75Å; K37-L312 HydrophobicContact CD-CD2 4.34Å; S273-L312 VanDerWaalsContact CB-O 3.29Å; S273-L312 WeakPolarHBondContact CB-O 3.22Å; S273-L312 PolarHBondContact OG-O 3.44Å; T274-L312 VanDerWaalsContact O-CD1 3.22Å; T274-L312 WeakPolarHBondContact O-CD1 3.5Å; N309-L312 HydrophobicContact CB-CD1 3.84Å; N309-L312 HydrophobicContact CB-CG 4.14Å; N309-L312 PolarHBondContact O-N 2.7Å; P310-L312 VanDerWaalsContact C-N 3.3Å
313G96.5Very high98.3Very high58 Ų5842.2 Ų42.260%0.59824%0.235SC*.SBendtrans86.5-178.2-179.700000113.7
314S97.8Very high98.3Very high56 Ų5642.4 Ų42.439%0.39224%0.237SC..  trans-77.1169.3173.468.90000111.7E316 D317 V318S314-E316 PolarHBondContact O-N 3.27Å; S314-E316 PolarHBondContact OG-N 3.34Å; S314-D317 WeakPolarHBondContact CB-OD2 3.19Å; S314-D317 PolarHBondContact N-OD2 3.13Å; S314-D317 WeakPolarHBondContact O-CB 3.49Å; S314-D317 PolarHBondContact O-N 3.12Å; S314-D317 PolarHBondContact OG-N 2.67Å; S314-D317 PolarHBondContact OG-OD2 3.41Å; S314-V318 WeakPolarHBondContact O-CG2 3.21Å; S314-V318 PolarHBondContact O-N 2.78Å
315Q97.4Very high98.3Very high161 Ų16142.4 Ų42.475%0.75224%0.237SC*.Hα-helixtrans-58.2-33172.5-172.9177.59.600112.3V318 L319Q315-V318 PolarHBondContact O-N 3.3Å; Q315-L319 HydrophobicContact CG-CD1 4.44Å; Q315-L319 VanDerWaalsContact O-CG 3.31Å; Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 3.19Å
316E98.1Very high98.3Very high137 Ų13742.4 Ų42.464%0.6424%0.237SC*.Hα-helixtrans-65.8-41174.8-173.5-178.1161.200111.5S314 L319 K320S314-E316 PolarHBondContact O-N 3.27Å; S314-E316 PolarHBondContact OG-N 3.34Å; E316-L319 PolarHBondContact O-N 3.31Å; E316-K320 VanDerWaalsContact O-CB 3.3Å; E316-K320 WeakPolarHBondContact O-CB 3.44Å; E316-K320 PolarHBondContact O-N 2.96Å
317D98.4Very high98.2Very high39 Ų3945.5 Ų45.521%0.20925%0.251CS..Hα-helixtrans-63.4-41.7176.6-65.2-41.7000111.7P272 S273 S314 K320 T321P272-D317 HydrophobicContact CB-CB 3.99Å; P272-D317 HydrophobicContact CG-CB 3.48Å; P272-D317 VanDerWaalsContact CG-CB 3.48Å; P272-D317 WeakPolarHBondContact CG-OD1 3.45Å; S273-D317 VanDerWaalsContact OG-C 3.23Å; S273-D317 PolarHBondContact OG-O 3.18Å; S314-D317 WeakPolarHBondContact CB-OD2 3.19Å; S314-D317 PolarHBondContact N-OD2 3.13Å; S314-D317 WeakPolarHBondContact O-CB 3.49Å; S314-D317 PolarHBondContact O-N 3.12Å; S314-D317 PolarHBondContact OG-N 2.67Å; S314-D317 PolarHBondContact OG-OD2 3.41Å; D317-K320 PolarHBondContact O-N 2.83Å; D317-K320 IonicContact OD1-NZ 3.79Å; D317-T321 WeakPolarHBondContact O-CB 3.22Å; D317-T321 PolarHBondContact O-N 3.04Å; D317-T321 PolarHBondContact O-OG1 3.47Å
318V98.5Very high98.2Very high22 Ų2245.5 Ų45.513%0.13325%0.251CS..Hα-helixtrans-63.1-47.1176.3176.60000110.8L46 S273 P310 S314 Q315 K320 T321 Q322L46-V318 HydrophobicContact CD1-CG1 3.89Å; S273-V318 WeakPolarHBondContact OG-CA 3.34Å; S273-V318 PolarHBondContact OG-N 3.4Å; P310-V318 HydrophobicContact CB-CG1 3.78Å; P310-V318 HydrophobicContact CB-CG2 4.31Å; P310-V318 WeakPolarHBondContact O-CG2 3.35Å; S314-V318 WeakPolarHBondContact O-CG2 3.21Å; S314-V318 PolarHBondContact O-N 2.78Å; Q315-V318 PolarHBondContact O-N 3.3Å; V318-K320 VanDerWaalsContact C-N 3.32Å; V318-K320 PolarHBondContact O-N 2.99Å; V318-T321 PolarHBondContact O-N 3.38Å; V318-Q322 VanDerWaalsContact O-CB 3.25Å; V318-Q322 WeakPolarHBondContact O-CB 3.29Å; V318-Q322 PolarHBondContact O-N 2.77Å
319L98.3Very high98.2Very high92 Ų9245.5 Ų45.548%0.48225%0.251SS..Hα-helixtrans-63.7-37.8177.8-71.6172.9000112.1Q315 E316 S323Q315-L319 HydrophobicContact CG-CD1 4.44Å; Q315-L319 VanDerWaalsContact O-CG 3.31Å; Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 3.19Å; E316-L319 PolarHBondContact O-N 3.31Å; L319-S323 VanDerWaalsContact O-CB 3.29Å; L319-S323 WeakPolarHBondContact O-CB 3.37Å; L319-S323 PolarHBondContact O-N 3.01Å
320K98.3Very high98.1Very high72 Ų7246.7 Ų46.731%0.31326%0.255SS..Hα-helixtrans-64.8-47.9177.1-167-173.8-57.7160.20111.4L269 P272 E316 D317 V318 S323 S324L269-K320 WeakPolarHBondContact O-CD 3.31Å; P272-K320 HydrophobicContact CG-CD 4.41Å; E316-K320 VanDerWaalsContact O-CB 3.3Å; E316-K320 WeakPolarHBondContact O-CB 3.44Å; E316-K320 PolarHBondContact O-N 2.96Å; D317-K320 PolarHBondContact O-N 2.83Å; D317-K320 IonicContact OD1-NZ 3.79Å; V318-K320 VanDerWaalsContact C-N 3.32Å; V318-K320 PolarHBondContact O-N 2.99Å; K320-S323 PolarHBondContact O-N 3.01Å; K320-S324 PolarHBondContact O-N 2.88Å; K320-S324 PolarHBondContact O-OG 3.15Å
321T98.7Very high98Very high0 Ų045.7 Ų45.70%025%0.249CC..Hα-helixtrans-64.1-44.8177.6-51.20000111.2I263 A271 P272 S273 L308 D317 V318 S323 S324 A325I263-T321 HydrophobicContact CG1-CG2 3.89Å; A271-T321 HydrophobicContact CB-CG2 4.19Å; P272-T321 VanDerWaalsContact CD-OG1 3.22Å; P272-T321 WeakPolarHBondContact CD-OG1 3.39Å; S273-T321 WeakPolarHBondContact CB-OG1 3.48Å; S273-T321 PolarHBondContact N-OG1 3.39Å; L308-T321 HydrophobicContact CD2-CG2 3.84Å; D317-T321 WeakPolarHBondContact O-CB 3.22Å; D317-T321 PolarHBondContact O-N 3.04Å; D317-T321 PolarHBondContact O-OG1 3.47Å; V318-T321 PolarHBondContact O-N 3.38Å; T321-S323 PolarHBondContact O-N 3.27Å; T321-S324 PolarHBondContact O-N 3.04Å; T321-A325 WeakPolarHBondContact O-CB 3.22Å; T321-A325 PolarHBondContact O-N 2.96Å
322Q98.6Very high98Very high29 Ų2941.1 Ų41.114%0.13623%0.225CC..Hα-helixtrans-58.3-46.4175-177.6-171.156.600111.1L46 V318 A325 V326L46-Q322 HydrophobicContact CD1-CB 4.31Å; L46-Q322 HydrophobicContact CD1-CG 4.24Å; L46-Q322 HydrophobicContact CD2-CB 4.31Å; L46-Q322 HydrophobicContact CG-CB 4.23Å; L46-Q322 HydrophobicContact CG-CG 4.06Å; L46-Q322 PolarHBondContact O-NE2 3.34Å; V318-Q322 VanDerWaalsContact O-CB 3.25Å; V318-Q322 WeakPolarHBondContact O-CB 3.29Å; V318-Q322 PolarHBondContact O-N 2.77Å; Q322-A325 WeakPolarHBondContact O-CB 3.45Å; Q322-A325 PolarHBondContact O-N 2.74Å; Q322-V326 HydrophobicContact CG-CG2 4.46Å; Q322-V326 WeakPolarHBondContact O-CG2 3.3Å; Q322-V326 PolarHBondContact O-N 3.11Å
323S98.4Very high97.8Very high57 Ų5739.1 Ų39.140%0.39921%0.214SC..Hα-helixtrans-60.1-47.6177.6-176.90000112L319 K320 T321 A325 V326 H327L319-S323 VanDerWaalsContact O-CB 3.29Å; L319-S323 WeakPolarHBondContact O-CB 3.37Å; L319-S323 PolarHBondContact O-N 3.01Å; K320-S323 PolarHBondContact O-N 3.01Å; T321-S323 PolarHBondContact O-N 3.27Å; S323-A325 PolarHBondContact O-N 3.27Å; S323-V326 PolarHBondContact O-N 2.86Å; S323-H327 PolarHBondContact O-CD2 3.03Å; S323-H327 PolarHBondContact O-N 3.17Å; S323-H327 VanDerWaalsContact O-N 3.09Å
324S98.6Very high97.5Very high4 Ų437.6 Ų37.63%0.02820%0.199CC..Hα-helixtrans-56.7-50175.6-65.70000111.5V270 K320 T321 V326 H327 I328V270-S324 PolarHBondContact O-OG 3.47Å; K320-S324 PolarHBondContact O-N 2.88Å; K320-S324 PolarHBondContact O-OG 3.15Å; T321-S324 PolarHBondContact O-N 3.04Å; S324-V326 PolarHBondContact O-N 3.37Å; S324-H327 PolarHBondContact O-N 3.43Å; S324-I328 WeakPolarHBondContact O-CG1 3.46Å; S324-I328 PolarHBondContact O-N 2.93Å
325A98.8Very high97.2Very high0 Ų037.3 Ų37.30%019%0.191CC..Hα-helixtrans-56.7-47.9177.600000113.3I47 I263 L305 L308 T321 Q322 S323 H327 I328 L329I47-A325 HydrophobicContact CD1-CB 3.77Å; I263-A325 HydrophobicContact CD1-CB 4.01Å; L305-A325 HydrophobicContact CD2-CB 3.55Å; L308-A325 HydrophobicContact CD1-CB 4.2Å; L308-A325 HydrophobicContact CD2-CB 3.88Å; T321-A325 WeakPolarHBondContact O-CB 3.22Å; T321-A325 PolarHBondContact O-N 2.96Å; Q322-A325 WeakPolarHBondContact O-CB 3.45Å; Q322-A325 PolarHBondContact O-N 2.74Å; S323-A325 PolarHBondContact O-N 3.27Å; A325-H327 VanDerWaalsContact C-N 3.3Å; A325-H327 PolarHBondContact O-N 3.31Å; A325-I328 PolarHBondContact O-N 3.16Å; A325-L329 WeakPolarHBondContact O-CG 3.25Å; A325-L329 PolarHBondContact O-N 2.8Å
326V98.6Very high96.4Very high1 Ų131 Ų311%0.00617%0.165CC..Hα-helixtrans-58.4-44.1177.8168.90000111.1I47 S50 F52 L55 Q322 S323 S324 R330I47-V326 HydrophobicContact CD1-CG2 4.13Å; S50-V326 WeakPolarHBondContact OG-CG2 3.49Å; F52-V326 HydrophobicContact CB-CG1 4.1Å; F52-V326 HydrophobicContact CB-CG2 4.15Å; F52-V326 HydrophobicContact CD2-CG1 4.27Å; L55-V326 HydrophobicContact CD1-CG1 3.75Å; Q322-V326 HydrophobicContact CG-CG2 4.46Å; Q322-V326 WeakPolarHBondContact O-CG2 3.3Å; Q322-V326 PolarHBondContact O-N 3.11Å; S323-V326 PolarHBondContact O-N 2.86Å; S324-V326 PolarHBondContact O-N 3.37Å; V326-R330 VanDerWaalsContact O-CB 3.25Å; V326-R330 WeakPolarHBondContact O-CB 3.32Å; V326-R330 PolarHBondContact O-N 3.31Å
327H98.2Very high96Very high64 Ų6429.9 Ų29.930%0.29616%0.155SC..Hα-helixtrans-70.3-35.9-179.8-76-64.8000112.8L288 S323 S324 A325 A331L288-H327 VanDerWaalsContact CD2-C 3.48Å; L288-H327 HydrophobicContact CD2-CB 3.87Å; L288-H327 VanDerWaalsContact CD2-O 3.23Å; L288-H327 WeakPolarHBondContact CD2-O 3.13Å; S323-H327 PolarHBondContact O-CD2 3.03Å; S323-H327 PolarHBondContact O-N 3.17Å; S323-H327 VanDerWaalsContact O-N 3.09Å; S324-H327 PolarHBondContact O-N 3.43Å; A325-H327 VanDerWaalsContact C-N 3.3Å; A325-H327 PolarHBondContact O-N 3.31Å; H327-A331 WeakPolarHBondContact O-CB 3.49Å; H327-A331 PolarHBondContact O-N 2.72Å
328I98.5Very high95.2Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-59.9-52.3172-71.6-62.5000110.8F261 L266 L284 L288 L305 S324 A325 R330 A331 C332F261-I328 HydrophobicContact CD1-CG2 4.3Å; F261-I328 HydrophobicContact CD2-CG2 3.92Å; F261-I328 HydrophobicContact CE1-CG2 4.4Å; F261-I328 HydrophobicContact CE2-CD1 4.04Å; F261-I328 HydrophobicContact CE2-CG2 4Å; F261-I328 HydrophobicContact CG-CG2 4.09Å; F261-I328 HydrophobicContact CZ-CD1 3.88Å; F261-I328 HydrophobicContact CZ-CG1 4.27Å; F261-I328 HydrophobicContact CZ-CG2 4.26Å; L266-I328 HydrophobicContact CD1-CG1 4.37Å; L284-I328 HydrophobicContact CD1-CD1 4.4Å; L284-I328 HydrophobicContact CD1-CG1 4.45Å; L288-I328 HydrophobicContact CD2-CD1 4.23Å; L288-I328 HydrophobicContact CG-CD1 4.44Å; L305-I328 HydrophobicContact CD1-CG2 4.46Å; S324-I328 WeakPolarHBondContact O-CG1 3.46Å; S324-I328 PolarHBondContact O-N 2.93Å; A325-I328 PolarHBondContact O-N 3.16Å; I328-R330 VanDerWaalsContact C-N 3.35Å; I328-R330 PolarHBondContact O-N 3.07Å; I328-A331 PolarHBondContact O-N 2.89Å; I328-C332 PolarHBondContact O-N 3.32Å; I328-C332 VanDerWaalsContact O-N 3.11Å; I328-C332 PolarHBondContact O-SG 2.92Å
329L98.5Very high94.2Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-61.8-42.3178.8-68.1175.7000111.9I47 F52 V125 V127 V303 L305 A325 A331 C332 L333I47-L329 HydrophobicContact CD1-CD1 4.46Å; I47-L329 HydrophobicContact CG1-CD1 4.39Å; I47-L329 HydrophobicContact CG2-CD1 4.04Å; F52-L329 HydrophobicContact CD2-CB 4.14Å; F52-L329 HydrophobicContact CE2-CB 3.46Å; F52-L329 VanDerWaalsContact CE2-CB 3.46Å; F52-L329 HydrophobicContact CE2-CD1 4.44Å; F52-L329 HydrophobicContact CZ-CB 3.81Å; F52-L329 HydrophobicContact CZ-CD1 4.36Å; V125-L329 HydrophobicContact CG1-CD2 3.91Å; V127-L329 HydrophobicContact CG2-CD1 3.76Å; V303-L329 HydrophobicContact CG2-CD2 4.34Å; L305-L329 HydrophobicContact CB-CD2 3.93Å; L305-L329 HydrophobicContact CD2-CD1 3.96Å; L305-L329 HydrophobicContact CD2-CD2 4.33Å; L305-L329 HydrophobicContact CD2-CG 4.03Å; A325-L329 WeakPolarHBondContact O-CG 3.25Å; A325-L329 PolarHBondContact O-N 2.8Å; L329-A331 PolarHBondContact O-N 3.2Å; L329-C332 WeakPolarHBondContact O-CB 3.29Å; L329-C332 PolarHBondContact O-N 3.39Å; L329-L333 PolarHBondContact O-N 3.21Å
330R96.8Very high92.7Very high27 Ų2734.8 Ų34.810%0.10219%0.19CC..Hα-helixtrans-62.5-42.2177.7-168.8-167.3177.6178.81.6111.7D59 V326 I328 C332 L333 H335D59-R330 VanDerWaalsContact CG-NH2 3.35Å; D59-R330 IonicContact OD1-CZ 3.12Å; D59-R330 IonicContact OD1-NE 3.87Å; D59-R330 IonicContact OD1-NH2 2.95Å; D59-R330 PolarHBondContact OD1-NH2 3.24Å; D59-R330 IonicContact OD2-CZ 2.73Å; D59-R330 IonicContact OD2-NE 3.49Å; D59-R330 PolarHBondContact OD2-NE 3.3Å; D59-R330 IonicContact OD2-NH2 3.66Å; D59-R330 PolarHBondContact OD2-NH2 3.33Å; V326-R330 VanDerWaalsContact O-CB 3.25Å; V326-R330 WeakPolarHBondContact O-CB 3.32Å; V326-R330 PolarHBondContact O-N 3.31Å; I328-R330 VanDerWaalsContact C-N 3.35Å; I328-R330 PolarHBondContact O-N 3.07Å; R330-C332 VanDerWaalsContact C-N 3.31Å; R330-C332 PolarHBondContact O-N 2.81Å; R330-L333 PolarHBondContact O-N 3.01Å; R330-L333 VanDerWaalsContact O-N 3.14Å; R330-H335 HydrophobicContact CG-CB 3.7Å; R330-H335 VanDerWaalsContact CZ-ND1 3.28Å; R330-H335 PolarHBondContact NE-ND1 3.06Å; R330-H335 PolarHBondContact NH2-CE1 3.05Å; R330-H335 VanDerWaalsContact NH2-CE1 3.31Å; R330-H335 PolarHBondContact NH2-ND1 2.93Å; R330-H335 WeakPolarHBondContact O-CB 3.39Å; R330-H335 PolarHBondContact O-N 3.42Å
331A96.2Very high91.1Very high1 Ų137.3 Ų37.31%0.00821%0.206CC..Hα-helixtrans-62.9-37.2176.500000112.2L288 C291 E292 H327 I328 L329 L333 G334L288-A331 HydrophobicContact CD2-CB 3.91Å; C291-A331 HydrophobicContact CB-CB 3.6Å; E292-A331 HydrophobicContact CG-CB 4.31Å; H327-A331 WeakPolarHBondContact O-CB 3.49Å; H327-A331 PolarHBondContact O-N 2.72Å; I328-A331 PolarHBondContact O-N 2.89Å; L329-A331 PolarHBondContact O-N 3.2Å; A331-L333 PolarHBondContact O-N 3.44Å; A331-G334 PolarHBondContact O-N 2.91Å
332C96.5Very high89.4Confident0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-60.3-33.5174.3-68.10000112.4Y21 C291 S295 L300 V303 I328 L329 R330 G334Y21-C332 WeakPolarHBondContact CE2-O 3.5Å; C291-C332 VanDerWaalsContact CB-SG 3.56Å; C291-C332 PolarHBondContact SG-SG 3.4Å; S295-C332 VanDerWaalsContact CB-O 3.28Å; S295-C332 WeakPolarHBondContact CB-O 3.41Å; S295-C332 PolarHBondContact OG-O 2.97Å; L300-C332 HydrophobicContact CD2-CB 3.84Å; L300-C332 WeakPolarHBondContact CD2-O 3.46Å; V303-C332 HydrophobicContact CB-CB 4.37Å; V303-C332 HydrophobicContact CG1-CB 4.13Å; V303-C332 HydrophobicContact CG2-CB 4.3Å; I328-C332 PolarHBondContact O-N 3.32Å; I328-C332 VanDerWaalsContact O-N 3.11Å; I328-C332 PolarHBondContact O-SG 2.92Å; L329-C332 WeakPolarHBondContact O-CB 3.29Å; L329-C332 PolarHBondContact O-N 3.39Å; R330-C332 VanDerWaalsContact C-N 3.31Å; R330-C332 PolarHBondContact O-N 2.81Å; C332-G334 PolarHBondContact O-N 3.38Å
333L94.9Very high87.7Confident2 Ų247.7 Ų47.71%0.0126%0.259CS..THydrogen-bonded Turntrans-82.916.7176.2-63.2-177.5000113.8Y21 A24 F52 V56 I61 P123 V125 L329 R330 A331Y21-L333 WeakPolarHBondContact CD2-O 3.45Å; A24-L333 HydrophobicContact CB-CD1 4.32Å; A24-L333 HydrophobicContact CB-CD2 3.82Å; F52-L333 HydrophobicContact CZ-CD1 4.08Å; V56-L333 HydrophobicContact CB-CD1 4.48Å; V56-L333 HydrophobicContact CG1-CD1 3.72Å; V56-L333 HydrophobicContact CG2-CD1 3.8Å; I61-L333 HydrophobicContact CD1-CB 3.84Å; I61-L333 WeakPolarHBondContact CD1-O 3.1Å; P123-L333 HydrophobicContact CG-CD2 3.64Å; V125-L333 HydrophobicContact CG2-CD1 4.12Å; V125-L333 HydrophobicContact CG2-CD2 3.79Å; V125-L333 HydrophobicContact CG2-CG 4.2Å; L329-L333 PolarHBondContact O-N 3.21Å; R330-L333 PolarHBondContact O-N 3.01Å; R330-L333 VanDerWaalsContact O-N 3.14Å; A331-L333 PolarHBondContact O-N 3.44Å
334G89.4Confident85.8Confident26 Ų2654.2 Ų54.227%0.26828%0.28SS..THydrogen-bonded Turntrans90.96.6169.600000114.6S295 A331 C332 C336S295-G334 WeakPolarHBondContact OG-CA 3.38Å; S295-G334 PolarHBondContact OG-N 3.34Å; A331-G334 PolarHBondContact O-N 2.91Å; C332-G334 PolarHBondContact O-N 3.38Å; G334-C336 PolarHBondContact O-N 2.91Å
335H90.5Very high83.7Confident49 Ų4958.9 Ų58.923%0.22731%0.308CS..  trans-62.6126.9168.1-178.577.4000110.3D59 R330D59-H335 IonicContact OD1-ND1 3.68Å; D59-H335 PolarHBondContact OD1-ND1 3Å; D59-H335 IonicContact OD2-CG 2.8Å; D59-H335 IonicContact OD2-ND1 3.98Å; D59-H335 PolarHBondContact OD2-ND1 2.92Å; R330-H335 HydrophobicContact CG-CB 3.7Å; R330-H335 VanDerWaalsContact CZ-ND1 3.28Å; R330-H335 PolarHBondContact NE-ND1 3.06Å; R330-H335 PolarHBondContact NH2-CE1 3.05Å; R330-H335 VanDerWaalsContact NH2-CE1 3.31Å; R330-H335 PolarHBondContact NH2-ND1 2.93Å; R330-H335 WeakPolarHBondContact O-CB 3.39Å; R330-H335 PolarHBondContact O-N 3.42Å
336C82.3Confident81.2Confident30 Ų3067.4 Ų67.420%0.20334%0.34CS..  trans-116.4131.2-179-170.60000111G334 S338 G339G334-C336 PolarHBondContact O-N 2.91Å; C336-S338 PolarHBondContact O-N 3.41Å; C336-S338 PolarHBondContact SG-OG 3.07Å; C336-S338 VanDerWaalsContact SG-OG 3.34Å; C336-G339 WeakPolarHBondContact O-CA 3.4Å; C336-G339 PolarHBondContact O-N 3.38Å
337R88Confident78.4Confident113 Ų11372.4 Ų72.443%0.42637%0.367SS..THydrogen-bonded Turntrans-62.4-22.5179.3-72.9173.9-68.4-175.4-0.1114.6R285 E292 G339R285-R337 PolarHBondContact O-NH1 3.11Å; E292-R337 VanDerWaalsContact OE1-CG 3.23Å; E292-R337 WeakPolarHBondContact OE1-CG 3.4Å; E292-R337 IonicContact OE1-CZ 2.75Å; E292-R337 PolarHBondContact OE1-N 2.83Å; E292-R337 IonicContact OE1-NE 3.44Å; E292-R337 PolarHBondContact OE1-NE 2.95Å; E292-R337 IonicContact OE1-NH2 3.85Å; E292-R337 IonicContact OE2-CZ 3.74Å; E292-R337 IonicContact OE2-NE 2.76Å; E292-R337 PolarHBondContact OE2-NE 2.65Å; E292-R337 IonicContact OE2-NH2 3.75Å; E292-R337 PolarHBondContact OE2-NH2 3.1Å; R337-G339 PolarHBondContact O-N 2.89Å
338S82.2Confident75.7Confident59 Ų5976.5 Ų76.541%0.41339%0.39SS..THydrogen-bonded Turntrans-77.3-3.2173.167.30000113.1C336 H340 L341C336-S338 PolarHBondContact O-N 3.41Å; C336-S338 PolarHBondContact SG-OG 3.07Å; C336-S338 VanDerWaalsContact SG-OG 3.34Å; S338-H340 PolarHBondContact O-N 3.36Å; S338-L341 WeakPolarHBondContact CB-O 3.38Å; S338-L341 PolarHBondContact O-N 2.96Å; S338-L341 VanDerWaalsContact O-N 3.07Å; S338-L341 PolarHBondContact OG-O 3.17Å; S338-L341 VanDerWaalsContact OG-O 3.1Å
339G77.6Confident73.1Confident43 Ų4381.7 Ų81.744%0.44342%0.422SS..THydrogen-bonded Turntrans58.9-119.7-170.400000109.9C336 R337C336-G339 WeakPolarHBondContact O-CA 3.4Å; C336-G339 PolarHBondContact O-N 3.38Å; R337-G339 PolarHBondContact O-N 2.89Å
340H67.8Low70.5Confident154 Ų15487 Ų8771%0.71345%0.45SS*.THydrogen-bonded Turntrans-98.2-0.3178.8-53.2110000113.4P17 S338P17-H340 VanDerWaalsContact CG-CD2 3.45Å; P17-H340 WeakPolarHBondContact CG-CD2 3.37Å; S338-H340 PolarHBondContact O-N 3.36Å
341L65.1Low67.6Low125 Ų12592 Ų9265%0.65448%0.475SS*.PPolyproline II helixtrans-81.9133.9-176.4-67.3176.9000110.8S338S338-L341 WeakPolarHBondContact CB-O 3.38Å; S338-L341 PolarHBondContact O-N 2.96Å; S338-L341 VanDerWaalsContact O-N 3.07Å; S338-L341 PolarHBondContact OG-O 3.17Å; S338-L341 VanDerWaalsContact OG-O 3.1Å
342P61.1Low64.6Low73 Ų7394.3 Ų94.347%0.47450%0.499SS..PPolyproline II helixtrans-67.5152174.429.5-34.4000110.4I12 K344I12-P342 HydrophobicContact CD1-CB 4.39Å; I12-P342 HydrophobicContact CG1-CB 4.4Å; P342-K344 PolarHBondContact O-N 2.86Å
343F63.8Low61.7Low173 Ų173101.9 Ų101.976%0.75954%0.538SS*.PPolyproline II helixtrans-62.1128176.5-164.2-112.7000110.9V345F343-V345 HydrophobicContact CD1-CB 4.25Å; F343-V345 WeakPolarHBondContact CD1-O 3.45Å; F343-V345 HydrophobicContact CE1-CB 3.6Å; F343-V345 HydrophobicContact CE1-CG1 4.5Å; F343-V345 WeakPolarHBondContact CE1-O 3.35Å; F343-V345 HydrophobicContact CZ-CB 4Å
344K58.6Low58.8Low195 Ų195109.7 Ų109.785%0.84858%0.576SS**  trans-83.4-27.2-176.5-72.5-173178.9179.80113.6P342 R346P342-K344 PolarHBondContact O-N 2.86Å; K344-R346 PolarHBondContact O-N 2.96Å
345V53.4Low56.2Low101 Ų101111.8 Ų111.861%0.61259%0.586SS**  trans-90.398.9-174-175.80000108.8F343F343-V345 HydrophobicContact CD1-CB 4.25Å; F343-V345 WeakPolarHBondContact CD1-O 3.45Å; F343-V345 HydrophobicContact CE1-CB 3.6Å; F343-V345 HydrophobicContact CE1-CG1 4.5Å; F343-V345 WeakPolarHBondContact CE1-O 3.35Å; F343-V345 HydrophobicContact CZ-CB 4Å
346R46.6Very low53.9Low179 Ų179120.7 Ų120.768%0.67562%0.618SS**  trans-70137162.6-65.8-175.9-177.1178.11.1107.4K344 D350K344-R346 PolarHBondContact O-N 2.96Å; R346-D350 HydrophobicContact CB-CB 4.12Å
347N40.9Very low51.9Low107 Ų107122.7 Ų122.757%0.57264%0.637SS**  trans-56.1146.3175.2-118.9-34.4000108.7T349 D350 Q351N347-T349 PolarHBondContact O-N 2.91Å; N347-D350 HydrophobicContact CB-CB 4.33Å; N347-D350 WeakPolarHBondContact CB-OD2 3.19Å; N347-D350 PolarHBondContact N-OD2 3.23Å; N347-D350 VanDerWaalsContact N-OD2 3.08Å; N347-D350 WeakPolarHBondContact O-CA 3.16Å; N347-D350 WeakPolarHBondContact O-CB 3.1Å; N347-D350 PolarHBondContact O-N 3.05Å; N347-Q351 PolarHBondContact O-N 2.93Å
348L41.4Very low49.8Very low150 Ų150120.1 Ų120.179%0.78564%0.639SS**THydrogen-bonded Turntrans-58.5-14.9174-84.5161.7000112.2
349T43.4Very low47.9Very low108 Ų108125.4 Ų125.466%0.66366%0.657SS**THydrogen-bonded Turntrans-87.2-21.917154.50000114.1N347 G352N347-T349 PolarHBondContact O-N 2.91Å; T349-G352 PolarHBondContact O-N 2.79Å
350D43.1Very low46.3Very low111 Ų111131.2 Ų131.259%0.59468%0.675SS**THydrogen-bonded Turntrans-78.8-28.8175.8-63.9-21.1000111.5R346 N347 G352R346-D350 HydrophobicContact CB-CB 4.12Å; N347-D350 HydrophobicContact CB-CB 4.33Å; N347-D350 WeakPolarHBondContact CB-OD2 3.19Å; N347-D350 PolarHBondContact N-OD2 3.23Å; N347-D350 VanDerWaalsContact N-OD2 3.08Å; N347-D350 WeakPolarHBondContact O-CA 3.16Å; N347-D350 WeakPolarHBondContact O-CB 3.1Å; N347-D350 PolarHBondContact O-N 3.05Å; D350-G352 VanDerWaalsContact C-N 3.27Å; D350-G352 PolarHBondContact O-N 3.02Å
351Q37.9Very low45.2Very low133 Ų133132.3 Ų132.362%0.62168%0.681SS**SBendtrans-85.679.2155.1-70.1-169.5-9.100107.1N347 I353N347-Q351 PolarHBondContact O-N 2.93Å; Q351-I353 PolarHBondContact O-N 3.43Å
352G31.5Very low44.3Very low50 Ų50132.2 Ų132.252%0.51569%0.685SS.*  trans-40.8125176.100000108.9T349 D350 M354T349-G352 PolarHBondContact O-N 2.79Å; D350-G352 VanDerWaalsContact C-N 3.27Å; D350-G352 PolarHBondContact O-N 3.02Å; G352-M354 VanDerWaalsContact C-N 3.26Å; G352-M354 PolarHBondContact O-N 3.05Å
353I36.7Very low43.6Very low159 Ų159138.3 Ų138.382%0.81570%0.704SS**  trans-45.6101.4178.2-66.2169.9000105.6Q351 S355Q351-I353 PolarHBondContact O-N 3.43Å; I353-S355 PolarHBondContact O-N 3.48Å
354M33.1Very low42.7Very low165 Ų165143 Ų14381%0.81373%0.729SS**  trans-67.295.2169.4-82.4-137.9147.100102.7G352 R356G352-M354 VanDerWaalsContact C-N 3.26Å; G352-M354 PolarHBondContact O-N 3.05Å; M354-R356 PolarHBondContact O-N 2.7Å
355S36.1Very low41.9Very low70 Ų70140.4 Ų140.449%0.4972%0.723SS.*  trans-49.7133172.3730000105.5I353 A357 A358I353-S355 PolarHBondContact O-N 3.48Å; S355-A357 PolarHBondContact O-N 2.86Å; S355-A358 PolarHBondContact O-N 3.22Å
356R40.4Very low41.3Very low237 Ų237142.5 Ų142.589%0.89473%0.728SS**THydrogen-bonded Turntrans-56.30.6177.8-74.4-179.9171.1-172.2-2.5113.3M354M354-R356 PolarHBondContact O-N 2.7Å
357A41.1Very low41Very low71 Ų71140.4 Ų140.459%0.58773%0.731SS**THydrogen-bonded Turntrans-73.2-26.317100000114S355 H359S355-A357 PolarHBondContact O-N 2.86Å; A357-H359 VanDerWaalsContact C-N 3.34Å; A357-H359 PolarHBondContact O-N 2.88Å
358A43.6Very low41Very low59 Ų59142.4 Ų142.449%0.48874%0.741SS.*THydrogen-bonded Turntrans-81.8-8.3-177.200000114.5S355S355-A358 PolarHBondContact O-N 3.22Å
359H43Very low40.9Very low170 Ų170141.9 Ų141.979%0.78774%0.738SS**THydrogen-bonded Turntrans-99.86.7-179.9-12850.4000114.1A357A357-H359 VanDerWaalsContact C-N 3.34Å; A357-H359 PolarHBondContact O-N 2.88Å
360M43.2Very low40.8Very low166 Ų166144.2 Ų144.282%0.81874%0.743SS**SBendtrans-108.95.9178.4-70.5-17376.600114.4
361Q45.3Very low40.6Very low177 Ų177146.6 Ų146.683%0.82775%0.754SS**SBendtrans-109.310.9-178.1-76.6-171-1700115.6
362T47.1Very low40.8Very low123 Ų123147.6 Ų147.676%0.75576%0.764SS**SBendtrans-123.423.6178.437.10000114
363K44.4Very low41.6Very low201 Ų201155.8 Ų155.887%0.87478%0.784SS**  trans-126.575.4165.5-73.8-170.2178.7-177.20109.8
364Q45.1Very low42Very low271 Ų271155.5 Ų155.5100%1.26678%0.782SS**  trans-156.80157.5-111.9175.911.300109.8

Retrieved 364 of 364 residues in 216.7 ms (Link to these results)

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