A0A087XSW0_POEFO Loading...

Coiled-coil domain containing 9B

AlphaFold DB , UniProt , Accession A0A087XSW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 560 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
1M48.5Very low57.1Low243 Ų243134.9 Ų134.9100%1.19771%0.71SS**  0113.60-79.2-177.7165.500108
2E51.4Low58.2Low193 Ų193133.5 Ų133.590%0.90269%0.693SS**PPolyproline II helixtrans-79.3149.4170.9-60.2-174.1143.800109.3
3R55.4Low59.6Low231 Ų231131.9 Ų131.987%0.87267%0.673SS**PPolyproline II helixtrans-88129.2177.3-63.7-178.4-176.4177.21.2108.5T5R3-T5 PolarHBondContact O-N 3.37Å
4P56.2Low61.1Low129 Ų129126.6 Ų126.684%0.83865%0.646SS**PPolyproline II helixtrans-61126.4175.725.5-33.2000109.7T6P4-T6 PolarHBondContact O-N 3.36Å
5T54.6Low62.7Low109 Ų109126.1 Ų126.167%0.66964%0.64SS**PPolyproline II helixtrans-71.9127.4-177.736.60000110.8R3 S7 N8R3-T5 PolarHBondContact O-N 3.37Å; T5-S7 PolarHBondContact O-N 3.37Å; T5-N8 PolarHBondContact O-N 3.14Å; T5-N8 VanDerWaalsContact O-N 3.13Å
6T60.5Low64.3Low125 Ų125125.4 Ų125.477%0.76763%0.634SS**G310 helixtrans-56.6-21.3-179.347.70000113.8P4 N8 M9P4-T6 PolarHBondContact O-N 3.36Å; T6-N8 PolarHBondContact O-N 3.34Å; T6-M9 PolarHBondContact O-N 3.39Å
7S57.7Low65.8Low84 Ų84124.5 Ų124.559%0.58762%0.621SS**G310 helixtrans-48.4-40.6171.8-170.50000113.4T5 M9 M10 P11T5-S7 PolarHBondContact O-N 3.37Å; S7-M9 PolarHBondContact O-N 3.33Å; S7-M9 VanDerWaalsContact O-N 3.09Å; S7-M10 PolarHBondContact O-N 2.98Å; S7-P11 WeakPolarHBondContact O-CD 3.27Å
8N56.8Low67.3Low105 Ų105123 Ų12356%0.56162%0.616SS**G310 helixtrans-71.5-4.7-177.8-160.68000114T5 T6T5-N8 PolarHBondContact O-N 3.14Å; T5-N8 VanDerWaalsContact O-N 3.13Å; T6-N8 PolarHBondContact O-N 3.34Å
9M58.5Low68.6Low99 Ų99122.4 Ų122.449%0.48861%0.614SS.*G310 helixtrans-101-6.4177.3-63.3-9366.200113.5T6 S7 K12 R13T6-M9 PolarHBondContact O-N 3.39Å; S7-M9 PolarHBondContact O-N 3.33Å; S7-M9 VanDerWaalsContact O-N 3.09Å; M9-K12 HydrophobicContact CE-CD 4.24Å; M9-R13 PolarHBondContact O-NH1 3.35Å
10M59.3Low69.8Low98 Ų98122 Ų12248%0.48361%0.61SS.*Hα-helixtrans-83.2-54.6176-62.6-58.6-62.900112.2S7 K12 R13 D14S7-M10 PolarHBondContact O-N 2.98Å; M10-K12 PolarHBondContact O-N 2.88Å; M10-K12 VanDerWaalsContact O-N 3.09Å; M10-R13 PolarHBondContact O-N 2.94Å; M10-D14 PolarHBondContact O-N 3.23Å
11P69.3Low71Confident68 Ų68120.6 Ų120.644%0.44260%0.604SS.*Hα-helixtrans-56.7-35.7-175.7-25.934.6000114S7 D14 Q15S7-P11 WeakPolarHBondContact O-CD 3.27Å; P11-D14 PolarHBondContact O-N 3.29Å; P11-Q15 WeakPolarHBondContact O-CB 3.49Å; P11-Q15 VanDerWaalsContact O-CG 3.23Å; P11-Q15 WeakPolarHBondContact O-CG 3.44Å; P11-Q15 PolarHBondContact O-N 3.24Å
12K70.2Confident73.3Confident118 Ų118113.5 Ų113.551%0.51357%0.571SS.*Hα-helixtrans-66.7-38.3178-60-170.7179.4-167.40112.7M9 M10 E16M9-K12 HydrophobicContact CE-CD 4.24Å; M10-K12 PolarHBondContact O-N 2.88Å; M10-K12 VanDerWaalsContact O-N 3.09Å; K12-E16 WeakPolarHBondContact O-CB 3.39Å; K12-E16 PolarHBondContact O-N 3.34Å
13R76Confident75.5Confident113 Ų113111.7 Ų111.743%0.42656%0.56SS.*Hα-helixtrans-78.9-23.1179.7-157.3-176.1-65.9101.7-1.9112.1M9 M10 R17M9-R13 PolarHBondContact O-NH1 3.35Å; M10-R13 PolarHBondContact O-N 2.94Å; R13-R17 PolarHBondContact O-N 3.36Å
14D81.3Confident77.5Confident57 Ų57107.3 Ų107.331%0.30555%0.547SS..Hα-helixtrans-76.6-43.6169.3-63.9-47.5000110.9M10 P11 E16 R17 D18M10-D14 PolarHBondContact O-N 3.23Å; P11-D14 PolarHBondContact O-N 3.29Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.33Å; D14-R17 PolarHBondContact O-N 3.49Å; D14-R17 VanDerWaalsContact O-N 3.16Å; D14-R17 IonicContact OD1-CZ 3.52Å; D14-R17 IonicContact OD1-NH1 2.95Å; D14-R17 PolarHBondContact OD1-NH1 3.37Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 2.87Å; D14-D18 PolarHBondContact O-N 2.95Å
15Q85.4Confident79.4Confident119 Ų119104.5 Ų104.556%0.55652%0.524SS*.Hα-helixtrans-57.4-40.1170.5-75.6169-2100113P11 D18 L19P11-Q15 WeakPolarHBondContact O-CB 3.49Å; P11-Q15 VanDerWaalsContact O-CG 3.23Å; P11-Q15 WeakPolarHBondContact O-CG 3.44Å; P11-Q15 PolarHBondContact O-N 3.24Å; Q15-D18 PolarHBondContact O-N 3.02Å; Q15-L19 WeakPolarHBondContact O-CG 3.41Å; Q15-L19 PolarHBondContact O-N 3.31Å
16E87.3Confident81.4Confident115 Ų115103.6 Ų103.654%0.53751%0.513SS..Hα-helixtrans-59.6-46174.9-174.3168.1-134.800111.5K12 D14 L19 E20K12-E16 WeakPolarHBondContact O-CB 3.39Å; K12-E16 PolarHBondContact O-N 3.34Å; D14-E16 VanDerWaalsContact C-N 3.31Å; D14-E16 PolarHBondContact O-N 3.33Å; E16-L19 PolarHBondContact O-N 3.17Å; E16-E20 WeakPolarHBondContact O-CG 3.22Å; E16-E20 PolarHBondContact O-N 2.72Å
17R89.8Confident83.1Confident111 Ų11199.6 Ų99.642%0.41949%0.492SS..Hα-helixtrans-66-35.1173.3-79.2-162.6-101.680.22.1113.6R13 D14 L19 E20 L21R13-R17 PolarHBondContact O-N 3.36Å; D14-R17 PolarHBondContact O-N 3.49Å; D14-R17 VanDerWaalsContact O-N 3.16Å; D14-R17 IonicContact OD1-CZ 3.52Å; D14-R17 IonicContact OD1-NH1 2.95Å; D14-R17 PolarHBondContact OD1-NH1 3.37Å; D14-R17 IonicContact OD1-NH2 2.71Å; D14-R17 PolarHBondContact OD1-NH2 2.87Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-E20 WeakPolarHBondContact O-CB 3.25Å; R17-E20 PolarHBondContact O-N 3.49Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 2.95Å
18D93Very high85Confident97 Ų9799.9 Ų99.952%0.51949%0.487SS..Hα-helixtrans-64.8-39.8175-69.3-25.4000110.9D14 Q15 L21 D22D14-D18 PolarHBondContact O-N 2.95Å; Q15-D18 PolarHBondContact O-N 3.02Å; D18-L21 WeakPolarHBondContact O-CB 3.49Å; D18-L21 PolarHBondContact O-N 3.4Å; D18-D22 PolarHBondContact O-N 3.05Å
19L92.7Very high86.9Confident112 Ų112102.5 Ų102.559%0.58649%0.489SS*.Hα-helixtrans-66.5-37173.4-68.4170.4000112.9Q15 E16 R17 D22 K23Q15-L19 WeakPolarHBondContact O-CG 3.41Å; Q15-L19 PolarHBondContact O-N 3.31Å; E16-L19 PolarHBondContact O-N 3.17Å; R17-L19 VanDerWaalsContact C-N 3.33Å; L19-D22 PolarHBondContact O-N 2.75Å; L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 VanDerWaalsContact O-CG 3.32Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.19Å
20E92.1Very high88.7Confident114 Ų114104.9 Ų104.953%0.53349%0.492SS..Hα-helixtrans-62.2-41.7170.6-72.1173.9-177.500112E16 R17 K23 K24E16-E20 WeakPolarHBondContact O-CG 3.22Å; E16-E20 PolarHBondContact O-N 2.72Å; R17-E20 WeakPolarHBondContact O-CB 3.25Å; R17-E20 PolarHBondContact O-N 3.49Å; E20-K23 PolarHBondContact O-N 2.9Å; E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.36Å
21L96.1Very high90.6Very high92 Ų92106.8 Ų106.848%0.48250%0.498SS..Hα-helixtrans-64.5-44.2176.7-72.7173.2000111.3R17 D18 K24 I25R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 2.95Å; D18-L21 WeakPolarHBondContact O-CB 3.49Å; D18-L21 PolarHBondContact O-N 3.4Å; L21-K24 CarbonylContact O-C 3.6Å; L21-K24 WeakPolarHBondContact O-CB 3.34Å; L21-K24 PolarHBondContact O-N 3.36Å; L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.13Å
22D95.9Very high91.9Very high94 Ų94108 Ų10850%0.50350%0.501SS..Hα-helixtrans-64.3-44.1175.8-91.2-28.5000112.3D18 L19 K24 I25 E26D18-D22 PolarHBondContact O-N 3.05Å; L19-D22 PolarHBondContact O-N 2.75Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.91Å; D22-I25 PolarHBondContact O-N 2.98Å; D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.92Å
23K96.9Very high93.2Very high156 Ų156107.2 Ų107.268%0.67850%0.499SS*.Hα-helixtrans-55.1-42.9171.2-76.2175.1178.9-178.90111.5L19 E20 E26 A27L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 VanDerWaalsContact O-CG 3.32Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.19Å; E20-K23 PolarHBondContact O-N 2.9Å; K23-E26 PolarHBondContact O-N 3.01Å; K23-A27 WeakPolarHBondContact O-CB 3.27Å; K23-A27 PolarHBondContact O-N 3.39Å
24K97.8Very high94.1Very high139 Ų139104.4 Ų104.460%0.60450%0.5SS*.Hα-helixtrans-68.3-38.2178.2-173.7175.1-1761730112.5E20 L21 D22 L28E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.36Å; L21-K24 CarbonylContact O-C 3.6Å; L21-K24 WeakPolarHBondContact O-CB 3.34Å; L21-K24 PolarHBondContact O-N 3.36Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.91Å; K24-L28 WeakPolarHBondContact O-CG 3.38Å; K24-L28 PolarHBondContact O-N 2.66Å
25I96.9Very high94.9Very high69 Ų69107 Ų10735%0.35451%0.513SS..Hα-helixtrans-67.2-42.7174.9-70.2162.2000110.3L21 D22 L28 R29L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.49Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 3.13Å; D22-I25 PolarHBondContact O-N 2.98Å; I25-L28 PolarHBondContact O-N 3.19Å; I25-R29 WeakPolarHBondContact O-CG 3.43Å; I25-R29 PolarHBondContact O-N 3.19Å
26E95.9Very high95.5Very high90 Ų90106.8 Ų106.842%0.42151%0.514SS..Hα-helixtrans-66.1-41.1176-163.9-171.9130.200112D22 K23 L28 R29 R30D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.92Å; K23-E26 PolarHBondContact O-N 3.01Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.19Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.02Å; E26-R29 VanDerWaalsContact O-N 3.13Å; E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 IonicContact OE1-CZ 3.53Å; E26-R30 IonicContact OE1-NH1 3.35Å; E26-R30 PolarHBondContact OE1-NH1 2.97Å; E26-R30 IonicContact OE1-NH2 3.04Å; E26-R30 PolarHBondContact OE1-NH2 2.91Å
27A95.9Very high95.9Very high41 Ų41107.4 Ų107.434%0.33952%0.515SS..Hα-helixtrans-61.3-36.8172.900000112.3K23 K31K23-A27 WeakPolarHBondContact O-CB 3.27Å; K23-A27 PolarHBondContact O-N 3.39Å; A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 VanDerWaalsContact O-CG 3.28Å; A27-K31 WeakPolarHBondContact O-CG 3.3Å; A27-K31 PolarHBondContact O-N 2.7Å
28L97.4Very high96.2Very high91 Ų91109.9 Ų109.948%0.47652%0.524SS..Hα-helixtrans-69.1-39.3171.6-76168.2000112.2K24 I25 E26 K31 N32K24-L28 WeakPolarHBondContact O-CG 3.38Å; K24-L28 PolarHBondContact O-N 2.66Å; I25-L28 PolarHBondContact O-N 3.19Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.19Å; L28-K31 PolarHBondContact O-N 2.95Å; L28-N32 WeakPolarHBondContact O-CB 3.15Å; L28-N32 PolarHBondContact O-N 2.87Å
29R97.6Very high96.4Very high160 Ų160112 Ų11260%0.60453%0.525SS*.Hα-helixtrans-59.6-49.3173.5-72.4170-178.7145.31.6111.2I25 E26 K31 N32 E33I25-R29 WeakPolarHBondContact O-CG 3.43Å; I25-R29 PolarHBondContact O-N 3.19Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.02Å; E26-R29 VanDerWaalsContact O-N 3.13Å; R29-K31 PolarHBondContact O-N 3.15Å; R29-N32 PolarHBondContact O-N 3.14Å; R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 2.88Å
30R97.1Very high96.6Very high149 Ų149112.7 Ų112.756%0.56252%0.524SS*.Hα-helixtrans-59.1-43.9174.2-77.8-163.4-173.276.88.7112.6E26 N32 E33 A34E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 IonicContact OE1-CZ 3.53Å; E26-R30 IonicContact OE1-NH1 3.35Å; E26-R30 PolarHBondContact OE1-NH1 2.97Å; E26-R30 IonicContact OE1-NH2 3.04Å; E26-R30 PolarHBondContact OE1-NH2 2.91Å; R30-N32 PolarHBondContact O-N 3.45Å; R30-E33 PolarHBondContact O-N 3.33Å; R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 2.77Å
31K98.2Very high96.8Very high138 Ų138112.6 Ų112.660%0.652%0.524SS*.Hα-helixtrans-62.7-42.1177.8-77.1172.3-179.4176.90111.9A27 L28 R29 A34 L35A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 VanDerWaalsContact O-CG 3.28Å; A27-K31 WeakPolarHBondContact O-CG 3.3Å; A27-K31 PolarHBondContact O-N 2.7Å; L28-K31 PolarHBondContact O-N 2.95Å; R29-K31 PolarHBondContact O-N 3.15Å; K31-A34 PolarHBondContact O-N 2.97Å; K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 2.89Å
32N96.9Very high96.7Very high94 Ų94111.9 Ų111.950%0.50352%0.523SS..Hα-helixtrans-67.6-39.6176.2-68.9-10.6000111.9L28 R29 R30 L35 M36L28-N32 WeakPolarHBondContact O-CB 3.15Å; L28-N32 PolarHBondContact O-N 2.87Å; R29-N32 PolarHBondContact O-N 3.14Å; R30-N32 PolarHBondContact O-N 3.45Å; N32-L35 PolarHBondContact O-N 2.89Å; N32-M36 WeakPolarHBondContact O-CG 3.3Å; N32-M36 PolarHBondContact O-N 2.73Å
33E96.6Very high96.6Very high100 Ų100110.8 Ų110.847%0.46752%0.515SS..Hα-helixtrans-62.1-45.3173.9-166.8-156.6137.600111.7R29 R30 L35 M36 K37R29-E33 WeakPolarHBondContact O-CB 3.42Å; R29-E33 PolarHBondContact O-N 2.88Å; R30-E33 PolarHBondContact O-N 3.33Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; E33-M36 PolarHBondContact O-N 3.4Å; E33-K37 PolarHBondContact O-N 3.43Å; E33-K37 WeakPolarHBondContact OE1-CE 3.38Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.17Å
34A96.4Very high96.4Very high55 Ų55108.5 Ų108.546%0.45551%0.506SS..Hα-helixtrans-62.7-39.3176.200000112.2R30 K31 K37 R38R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 2.77Å; K31-A34 PolarHBondContact O-N 2.97Å; A34-K37 PolarHBondContact O-N 3.31Å; A34-R38 WeakPolarHBondContact O-CB 3.23Å; A34-R38 PolarHBondContact O-N 3.23Å
35L97.5Very high96.2Very high110 Ų110106.8 Ų106.858%0.57650%0.504SS*.Hα-helixtrans-63.4-41.9172.5-74.6169.8000112K31 N32 E33 R38 Y39K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 2.89Å; N32-L35 PolarHBondContact O-N 2.89Å; E33-L35 VanDerWaalsContact C-N 3.35Å; E33-L35 PolarHBondContact O-N 3.06Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.49Å
36M96.6Very high96Very high116 Ų116110 Ų11057%0.57151%0.511SS*.Hα-helixtrans-69.1-33.2176.5-70.2-57.7-61.200112.9N32 E33 K40N32-M36 WeakPolarHBondContact O-CG 3.3Å; N32-M36 PolarHBondContact O-N 2.73Å; E33-M36 PolarHBondContact O-N 3.4Å; M36-K40 WeakPolarHBondContact O-CG 3.31Å; M36-K40 PolarHBondContact O-N 3.01Å
37K97Very high95.8Very high128 Ų128112.7 Ų112.756%0.55752%0.518SS*.Hα-helixtrans-64.7-51.5170.6-80.6171.7165.6169.10110.8E33 A34 Y39 K40 E41E33-K37 PolarHBondContact O-N 3.43Å; E33-K37 WeakPolarHBondContact OE1-CE 3.38Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.17Å; A34-K37 PolarHBondContact O-N 3.31Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.01Å; K37-K40 WeakPolarHBondContact O-CB 3.16Å; K37-K40 PolarHBondContact O-N 3.18Å; K37-K40 VanDerWaalsContact O-N 3.14Å; K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 PolarHBondContact O-N 3.36Å
38R96.8Very high95.6Very high162 Ų162116 Ų11661%0.61152%0.524SS*.Hα-helixtrans-63.3-32.4178-173.5172.7179.4-95.6-6.4113.3A34 L35 V42A34-R38 WeakPolarHBondContact O-CB 3.23Å; A34-R38 PolarHBondContact O-N 3.23Å; L35-R38 PolarHBondContact O-N 2.93Å; R38-V42 HydrophobicContact CG-CG2 4.4Å; R38-V42 WeakPolarHBondContact O-CB 3.32Å; R38-V42 VanDerWaalsContact O-CG2 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.49Å; R38-V42 PolarHBondContact O-N 2.94Å
39Y96.6Very high95Very high141 Ų141113 Ų11355%0.55351%0.513SS*.Hα-helixtrans-62.9-47.1173-173.3-78000110.9L35 K37 V42 E43L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.49Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.01Å; Y39-V42 PolarHBondContact O-N 3.22Å; Y39-E43 HydrophobicContact CE1-CB 4.24Å; Y39-E43 HydrophobicContact CE1-CG 4.49Å; Y39-E43 VanDerWaalsContact CE1-OE2 3.28Å; Y39-E43 WeakPolarHBondContact CE1-OE2 3.34Å; Y39-E43 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E43 PolarHBondContact O-N 2.73Å; Y39-E43 PolarHBondContact OH-OE2 2.9Å
40K97.1Very high94.4Very high128 Ų128109.4 Ų109.456%0.55750%0.503SS*.Hα-helixtrans-62.3-47.6177.6-68.9171.7-179.6-174.40111.5M36 K37 V42 E43 E44M36-K40 WeakPolarHBondContact O-CG 3.31Å; M36-K40 PolarHBondContact O-N 3.01Å; K37-K40 WeakPolarHBondContact O-CB 3.16Å; K37-K40 PolarHBondContact O-N 3.18Å; K37-K40 VanDerWaalsContact O-N 3.14Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.7Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E43 VanDerWaalsContact O-N 3.14Å; K40-E44 WeakPolarHBondContact O-CB 3.28Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.05Å
41E94.8Very high93.8Very high112 Ų112110 Ų11052%0.52351%0.512SS..Hα-helixtrans-50.9-50.1173.7179.7-176.1-152.400111.6K37 E43 E44 D45K37-E41 WeakPolarHBondContact O-CB 3.38Å; K37-E41 PolarHBondContact O-N 3.36Å; E41-E43 PolarHBondContact O-N 3.19Å; E41-E44 PolarHBondContact O-N 2.69Å; E41-D45 WeakPolarHBondContact O-CB 3.49Å; E41-D45 PolarHBondContact O-N 3Å
42V95.5Very high93Very high76 Ų76108.6 Ų108.646%0.46151%0.508SS..Hα-helixtrans-66.1-35.9178.21690000112.9R38 Y39 K40 R46R38-V42 HydrophobicContact CG-CG2 4.4Å; R38-V42 WeakPolarHBondContact O-CB 3.32Å; R38-V42 VanDerWaalsContact O-CG2 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.49Å; R38-V42 PolarHBondContact O-N 2.94Å; Y39-V42 PolarHBondContact O-N 3.22Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.7Å; V42-R46 WeakPolarHBondContact O-CB 3.35Å; V42-R46 PolarHBondContact O-N 3.24Å
43E94.3Very high91.5Very high72 Ų72106.9 Ų106.934%0.33651%0.513SS..Hα-helixtrans-73.6-31.5175.9-157.681.6-10000111.8Y39 K40 E41 R46 R47Y39-E43 HydrophobicContact CE1-CB 4.24Å; Y39-E43 HydrophobicContact CE1-CG 4.49Å; Y39-E43 VanDerWaalsContact CE1-OE2 3.28Å; Y39-E43 WeakPolarHBondContact CE1-OE2 3.34Å; Y39-E43 VanDerWaalsContact CZ-OE2 3.29Å; Y39-E43 PolarHBondContact O-N 2.73Å; Y39-E43 PolarHBondContact OH-OE2 2.9Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E43 VanDerWaalsContact O-N 3.14Å; E41-E43 PolarHBondContact O-N 3.19Å; E43-R46 WeakPolarHBondContact OE1-CD 3.36Å; E43-R46 IonicContact OE1-NH1 3.08Å; E43-R47 VanDerWaalsContact O-CB 3.3Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.13Å
44E92.3Very high89.5Confident107 Ų107109.2 Ų109.250%0.553%0.525SS..Hα-helixtrans-73.9-44.1175-71.6-176.6-164.100111.9K40 E41 R46 R47 K48K40-E44 WeakPolarHBondContact O-CB 3.28Å; K40-E44 WeakPolarHBondContact O-CG 3.31Å; K40-E44 PolarHBondContact O-N 3.05Å; E41-E44 PolarHBondContact O-N 2.69Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.83Å; E44-R47 PolarHBondContact O-N 3.38Å; E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.36Å; E44-K48 PolarHBondContact O-N 3.4Å
45D92.4Very high87.4Confident103 Ų103108 Ų10855%0.55152%0.515SS*.Hα-helixtrans-58.8-42.5169.8-90.2-10.5000111.1E41 K48 A49E41-D45 WeakPolarHBondContact O-CB 3.49Å; E41-D45 PolarHBondContact O-N 3Å; D45-K48 PolarHBondContact O-N 3.25Å; D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.12Å
46R93.1Very high85.2Confident136 Ų136110.6 Ų110.651%0.51353%0.529SS..Hα-helixtrans-62.3-52.3175.8-179.5-170.6172.4-176.8-4.7111.3V42 E43 E44 K48 A49 E50V42-R46 WeakPolarHBondContact O-CB 3.35Å; V42-R46 PolarHBondContact O-N 3.24Å; E43-R46 WeakPolarHBondContact OE1-CD 3.36Å; E43-R46 IonicContact OE1-NH1 3.08Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.83Å; R46-K48 VanDerWaalsContact C-N 3.26Å; R46-K48 PolarHBondContact O-N 2.9Å; R46-A49 PolarHBondContact O-N 2.84Å; R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 VanDerWaalsContact CZ-OE1 3.31Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 2.86Å; R46-E50 IonicContact NH2-OE1 3.59Å; R46-E50 PolarHBondContact NH2-OE1 3.47Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 3.42Å
47R92.4Very high83.2Confident148 Ų148112.6 Ų112.656%0.55854%0.537SS*.Hα-helixtrans-55.7-44.3177.2177.2-171.363.7-166.6-7.8110.6E43 E44 E50 E51E43-R47 VanDerWaalsContact O-CB 3.3Å; E43-R47 WeakPolarHBondContact O-CB 3.45Å; E43-R47 PolarHBondContact O-N 3.13Å; E44-R47 PolarHBondContact O-N 3.38Å; R47-E50 PolarHBondContact O-N 3.27Å; R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 PolarHBondContact O-N 3.35Å
48K90.8Very high81.1Confident109 Ų109111.8 Ų111.847%0.47455%0.547SS..Hα-helixtrans-63.6-43.7177.7-179.1178.2172.1-176.20112E44 D45 R46 E50 E51 E52E44-K48 VanDerWaalsContact O-CB 3.24Å; E44-K48 WeakPolarHBondContact O-CB 3.36Å; E44-K48 PolarHBondContact O-N 3.4Å; D45-K48 PolarHBondContact O-N 3.25Å; R46-K48 VanDerWaalsContact C-N 3.26Å; R46-K48 PolarHBondContact O-N 2.9Å; K48-E50 VanDerWaalsContact C-N 3.32Å; K48-E50 PolarHBondContact O-N 2.87Å; K48-E51 PolarHBondContact O-N 3.34Å; K48-E52 WeakPolarHBondContact CE-OE1 3.5Å; K48-E52 HydrophobicContact CG-CG 4.36Å; K48-E52 IonicContact NZ-OE1 2.76Å; K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.42Å; K48-E52 PolarHBondContact O-N 3.36Å
49A85.4Confident78.9Confident30 Ų30115.1 Ų115.125%0.24856%0.56CS.*Hα-helixtrans-66.9-32.1175.500000112.6D45 R46 G53 M54 A55D45-A49 WeakPolarHBondContact O-CB 3.17Å; D45-A49 PolarHBondContact O-N 3.12Å; R46-A49 PolarHBondContact O-N 2.84Å; A49-G53 PolarHBondContact O-N 2.91Å; A49-M54 PolarHBondContact O-N 2.8Å; A49-A55 VanDerWaalsContact C-CB 3.47Å; A49-A55 HydrophobicContact CB-CB 3.9Å; A49-A55 WeakPolarHBondContact O-CB 3.33Å; A49-A55 PolarHBondContact O-N 3.48Å
50E84.9Confident76.9Confident84 Ų84117.9 Ų117.939%0.39358%0.575SS.*Hα-helixtrans-69.9-36.4171.6-71.7-179.3-167.800111.9R46 R47 K48 G53 A55R46-E50 IonicContact CZ-OE1 2.7Å; R46-E50 VanDerWaalsContact CZ-OE1 3.31Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 2.86Å; R46-E50 IonicContact NH2-OE1 3.59Å; R46-E50 PolarHBondContact NH2-OE1 3.47Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 3.42Å; R47-E50 PolarHBondContact O-N 3.27Å; K48-E50 VanDerWaalsContact C-N 3.32Å; K48-E50 PolarHBondContact O-N 2.87Å; E50-G53 PolarHBondContact O-N 3.38Å; E50-A55 HydrophobicContact CB-CB 4.34Å; E50-A55 HydrophobicContact CG-CB 3.63Å
51E84.2Confident74.7Confident160 Ų160114.1 Ų114.175%0.74857%0.572SS**Hα-helixtrans-72-42.8174.8-175.6172.8-172.900112.9R47 K48 G53R47-E51 WeakPolarHBondContact O-CB 3.41Å; R47-E51 PolarHBondContact O-N 3.35Å; K48-E51 PolarHBondContact O-N 3.34Å; E51-G53 PolarHBondContact O-N 3.48Å
52E80.9Confident72.7Confident110 Ų110116.9 Ų116.951%0.51458%0.583SS.*THydrogen-bonded Turntrans-72.3-2.1173.5-69.1177.3176.200112.9K48 M54K48-E52 WeakPolarHBondContact CE-OE1 3.5Å; K48-E52 HydrophobicContact CG-CG 4.36Å; K48-E52 IonicContact NZ-OE1 2.76Å; K48-E52 WeakPolarHBondContact O-CB 3.39Å; K48-E52 WeakPolarHBondContact O-CG 3.42Å; K48-E52 PolarHBondContact O-N 3.36Å; E52-M54 HydrophobicContact CB-CG 4.39Å; E52-M54 PolarHBondContact O-N 3.42Å
53G66.4Low70.9Confident58 Ų58117.9 Ų117.960%0.59860%0.598SS**THydrogen-bonded Turntrans66.84.6178.800000115.3A49 E50 E51A49-G53 PolarHBondContact O-N 2.91Å; E50-G53 PolarHBondContact O-N 3.38Å; E51-G53 PolarHBondContact O-N 3.48Å
54M54.3Low69.2Low149 Ų149120.6 Ų120.673%0.73462%0.615SS**  trans-82.3-26.2179.7-61.1-153.5-161.300112.8A49 E52 L56A49-M54 PolarHBondContact O-N 2.8Å; E52-M54 HydrophobicContact CB-CG 4.39Å; E52-M54 PolarHBondContact O-N 3.42Å; M54-L56 PolarHBondContact O-N 2.86Å
55A53.2Low67.6Low30 Ų30123 Ų12325%0.24863%0.631CS.*SBendtrans-63.9105.2163.900000107.7A49 E50 Q57A49-A55 VanDerWaalsContact C-CB 3.47Å; A49-A55 HydrophobicContact CB-CB 3.9Å; A49-A55 WeakPolarHBondContact O-CB 3.33Å; A49-A55 PolarHBondContact O-N 3.48Å; E50-A55 HydrophobicContact CB-CB 4.34Å; E50-A55 HydrophobicContact CG-CB 3.63Å; A55-Q57 PolarHBondContact O-N 3.4Å
56L50.2Low66.3Low164 Ų164124.6 Ų124.686%0.85964%0.64SS**  trans-59.293166.9-67.9174.7000107.9M54 S58M54-L56 PolarHBondContact O-N 2.86Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.4Å
57Q55.3Low64.6Low158 Ų158123.7 Ų123.774%0.73865%0.649SS**  trans-49.1104.5154.6-73.5-170.7-1.300105.1A55 R59A55-Q57 PolarHBondContact O-N 3.4Å; Q57-R59 WeakPolarHBondContact O-CA 3.43Å; Q57-R59 PolarHBondContact O-N 3.5Å
58S53.3Low63Low111 Ų111122.5 Ų122.578%0.77665%0.653SS**  trans-69.387.2-171.146.90000107L56 K60L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 3.4Å; S58-K60 PolarHBondContact O-N 2.85Å
59R50.1Low61.4Low232 Ų232122.8 Ų122.888%0.87566%0.664SS**  trans-58.8104.2-152.5-169.4-172.5-76.2-164.2-1.6107.9Q57 G61Q57-R59 WeakPolarHBondContact O-CA 3.43Å; Q57-R59 PolarHBondContact O-N 3.5Å; R59-G61 PolarHBondContact O-N 3.3Å
60K53Low59.6Low199 Ų199127.8 Ų127.887%0.86569%0.685SS**  trans-73.843.7174-161.178.8171.4-169.70109.2S58 K62S58-K60 PolarHBondContact O-N 2.85Å; K60-K62 PolarHBondContact O-N 2.82Å
61G51.5Low57.9Low49 Ų49128.6 Ų128.651%0.50570%0.7SS.*  trans-56.3121.217400000107.1R59 A63R59-G61 PolarHBondContact O-N 3.3Å; G61-A63 PolarHBondContact O-N 3.01Å
62K52.9Low56.6Low170 Ų170130.4 Ų130.474%0.73971%0.705SS**  trans-53.2132.5160-59.1-64.9-175160.60106.1K60 D64K60-K62 PolarHBondContact O-N 2.82Å; K62-D64 WeakPolarHBondContact CB-OD2 3.19Å; K62-D64 PolarHBondContact O-N 3.22Å
63A57.1Low55.1Low96 Ų96129.7 Ų129.779%0.79371%0.712SS**THydrogen-bonded Turntrans-73.98.8-167.900000113.2G61G61-A63 PolarHBondContact O-N 3.01Å
64D58.8Low54.4Low130 Ų130133.4 Ų133.470%0.69572%0.723SS**THydrogen-bonded Turntrans-101.4-5.7-158.1-43.9-59000112.6K62K62-D64 WeakPolarHBondContact CB-OD2 3.19Å; K62-D64 PolarHBondContact O-N 3.22Å
65D58.4Low54.3Low156 Ų156133.6 Ų133.683%0.83473%0.728SS**SBendtrans-109.112.7-174.4-162.242.8000113.6
66L65.8Low54.1Low138 Ų138141.3 Ų141.372%0.72376%0.759SS**  trans-13157.1-179.8-165.261.4000112.7I68L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 HydrophobicContact CD1-CD1 4.47Å; L66-I68 HydrophobicContact CD1-CG1 4.2Å; L66-I68 HydrophobicContact CD2-CD1 4.38Å; L66-I68 HydrophobicContact CG-CD1 4.16Å; L66-I68 HydrophobicContact CG-CG1 3.97Å; L66-I68 PolarHBondContact O-N 2.84Å
67T58.6Low54.1Low117 Ų117138.4 Ų138.472%0.71875%0.752SS**  trans-74.377.4177.8-41.80000111.6T69T67-T69 PolarHBondContact O-N 2.99Å
68I58.1Low53.7Low122 Ų122141.7 Ų141.763%0.62676%0.757SS**  trans-73.292.8177.8-49.8-178.4000110.1L66 I70L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 HydrophobicContact CD1-CD1 4.47Å; L66-I68 HydrophobicContact CD1-CG1 4.2Å; L66-I68 HydrophobicContact CD2-CD1 4.38Å; L66-I68 HydrophobicContact CG-CD1 4.16Å; L66-I68 HydrophobicContact CG-CG1 3.97Å; L66-I68 PolarHBondContact O-N 2.84Å; I68-I70 HydrophobicContact CG2-CG1 3.89Å; I68-I70 PolarHBondContact O-N 3.21Å
69T56.3Low53.5Low116 Ų116141.8 Ų141.871%0.71275%0.753SS**  trans-72.589.1173.738.20000111.4T67 S71T67-T69 PolarHBondContact O-N 2.99Å; T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 2.97Å
70I48.8Very low53.3Low134 Ų134136.9 Ų136.969%0.68775%0.749SS**  trans-77.281.7175.4-52179.7000110I68 K72I68-I70 HydrophobicContact CG2-CG1 3.89Å; I68-I70 PolarHBondContact O-N 3.21Å; I70-K72 PolarHBondContact O-N 3.48Å
71S49.6Very low53.1Low101 Ų101132.9 Ų132.971%0.70674%0.741SS**  trans-58.1118.5168.9-60.40000110.4T69 S73T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 2.97Å; S71-S73 PolarHBondContact O-N 2.98Å
72K55.8Low52.9Low199 Ų199136.5 Ų136.587%0.86575%0.753SS**  trans-93.967.5177.3-70.8-179.365.6-165.70111.4I70I70-K72 PolarHBondContact O-N 3.48Å
73S49.9Very low52.7Low95 Ų95135.8 Ų135.866%0.66475%0.75SS**  trans-77.214415850.50000109.9S71S71-S73 PolarHBondContact O-N 2.98Å
74T51.5Low52Low135 Ų135136.6 Ų136.683%0.82875%0.747SS**SBendtrans-88.2135.3167.244.30000109.3
75D53.2Low50.7Low154 Ų154140.1 Ų140.182%0.82476%0.756SS**SBendtrans64.3158.1-175.1-67.8-41.1000118.1
76E47Very low49.7Very low192 Ų192136 Ų13690%0.89775%0.751SS**SBendtrans74.6165.6-179.6-150.3142.2-131.800119.1
77S50.8Low48.2Very low102 Ų102136 Ų13671%0.71376%0.762SS**  trans-67.1130.1-154-173.50000115V79S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 VanDerWaalsContact O-N 3.17Å
78R47.7Very low46.9Very low228 Ų228133.8 Ų133.886%0.8676%0.763SS**  trans-85.983.7179.7-64.7-173.7-178.4-159.4-1.2112.5
79V49.3Very low45.7Very low113 Ų113133.3 Ų133.369%0.68577%0.771SS**  trans-78.6120.4165.4-176.20000109.5S77 V81S77-V79 PolarHBondContact O-N 3.24Å; S77-V79 VanDerWaalsContact O-N 3.17Å; V79-V81 HydrophobicContact CG1-CG2 3.94Å; V79-V81 PolarHBondContact O-N 3.25Å
80V45.3Very low45Very low129 Ų129133.4 Ų133.478%0.78277%0.773SS**  trans-85.397.9175.8-179.70000109.2
81V48.9Very low44.3Very low115 Ų115135 Ų13570%0.69778%0.781SS**  trans-91.9100.7175.5-177.60000110V79 K83V79-V81 HydrophobicContact CG1-CG2 3.94Å; V79-V81 PolarHBondContact O-N 3.25Å; V81-K83 PolarHBondContact O-N 3.02Å
82T47.2Very low43.3Very low124 Ų124133.6 Ų133.676%0.76178%0.783SS**  trans-79.7105.4164.750.40000109.2P84T82-P84 VanDerWaalsContact O-CD 3.32Å; T82-P84 WeakPolarHBondContact O-CD 3.37Å
83K47.7Very low42.3Very low156 Ų156131.2 Ų131.268%0.67879%0.785SS**  trans-91.6111.8178-174.271.8176-175.40110.2V81V81-K83 PolarHBondContact O-N 3.02Å
84P42.7Very low41.3Very low112 Ų112130.3 Ų130.373%0.72779%0.791SS**  trans-70.3129.1164.929.5-32.5000109T82 G86T82-P84 VanDerWaalsContact O-CD 3.32Å; T82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-G86 PolarHBondContact O-N 3.32Å
85F32.5Very low40.4Very low204 Ų204132.9 Ų132.990%0.89579%0.794SS**  trans-86.6106.9172.2-77.1-84.2000109.5
86G36.1Very low39.3Very low70 Ų70133.8 Ų133.872%0.72279%0.793SS**  trans-153.1109.3178.700000112.1P84P84-G86 PolarHBondContact O-N 3.32Å
87S35.5Very low38.5Very low138 Ų138133.4 Ų133.497%0.96579%0.791SS**SBendtrans65.2148.9172.7-157.50000118
88G30.8Very low37.5Very low71 Ų71132.5 Ų132.573%0.73280%0.798SS**  trans98.699165.100000116.5
89S32.1Very low36.6Very low112 Ų112125.4 Ų125.478%0.78380%0.795SS**  trans-81.7149.6152.7-163.80000108.4
90P42.4Very low35.9Very low118 Ų118124.9 Ų124.977%0.76680%0.803SS**  -141.9151.890.337.8-23.7000116.1
91I33.2Very low35.2Very low166 Ų166124.3 Ų124.385%0.85180%0.796SS**  trans11.1122.9141.2-65.3163.5000117.1
92G30.1Very low34.8Very low73 Ų73128.6 Ų128.675%0.75380%0.799SS**  trans-168105.8164.700000112.5
93T34.8Very low34Very low148 Ų148129.5 Ų129.591%0.90880%0.804SS**  trans-63.8146.5163.743.60000109.6
94G29.1Very low33.3Very low76 Ų76125.6 Ų125.678%0.78481%0.808SS**  cis112.76414.100000111
95Q32Very low32.8Very low190 Ų190130.1 Ų130.189%0.88882%0.82SS**  trans-147.9146.9168.7-161.9166-3.700111.8
96Q30.4Very low32.8Very low172 Ų172123.7 Ų123.780%0.80481%0.811SS**  trans-124.4132.1-178159.4-163.3-6.600107.1
97E30.6Very low32.9Very low185 Ų185125.7 Ų125.786%0.86481%0.814SS**  trans-174.2157.7146.4-115.7-173.1151.900114.2
98G29Very low33Very low83 Ų83125.3 Ų125.386%0.85681%0.806SS**  trans74.8130164.200000117.1
99G28.1Very low33.3Very low78 Ų78131 Ų13180%0.80481%0.813SS**  cis-175.2173.7-2.900000111.4
100A36Very low33.5Very low102 Ų102128.9 Ų128.984%0.84381%0.809SS**  trans-64.5170.2178.100000112.4
101D30.4Very low33.3Very low117 Ų117129.6 Ų129.663%0.62681%0.812SS**  cis-165.214127.5-173.220.7000105.8
102R40.2Very low33.5Very low206 Ų206125.9 Ų125.978%0.77782%0.815SS**  172.6152.787.6-90.2-167.3174.1-153.4-12.3114.4
103V30.9Very low34.2Very low142 Ų142133.9 Ų133.986%0.86182%0.822SS**  trans49.2118.7143.2179.30000118.9
104G32.2Very low34.6Very low74 Ų74130.4 Ų130.476%0.76382%0.815SS**  trans-176.537175.100000119.3
105E33.4Very low35.8Very low207 Ų207132.5 Ų132.597%0.96782%0.818SS**  trans59.1157.4167.9-112.2178.7129.100120.4
106G31.8Very low37Very low70 Ų70130.9 Ų130.972%0.72280%0.804SS**  trans-100.7148.1-175.100000114.1
107S38.5Very low38.4Very low112 Ų112131.9 Ų131.978%0.78381%0.806SS**  trans-40.1136.9169.71790000115.7
108T36.5Very low39.5Very low129 Ų129128 Ų12879%0.79179%0.787SS**  -163.8163.511914.60000114.1
109Q38.5Very low40.9Very low190 Ų190130.4 Ų130.489%0.88878%0.78SS**  trans-63.6153.1-166.6-61.8137.1-88.300116.1
110G35.2Very low42.2Very low68 Ų68130.5 Ų130.570%0.70177%0.765SS**  trans-16531.7179.300000120.5
111T39.4Very low42.8Very low133 Ų133130.9 Ų130.982%0.81676%0.757SS**  trans52.782.1168.354.60000118R113T111-R113 PolarHBondContact O-N 2.94Å; T111-R113 VanDerWaalsContact O-N 3.14Å
112G35.8Very low44.3Very low88 Ų88130.9 Ų130.991%0.90776%0.761SS**  trans-63.6111171.500000113.3G114G112-G114 PolarHBondContact O-N 3.41Å
113R45.5Very low45.3Very low242 Ų242128 Ų12891%0.91376%0.758SS**  trans-72.7114.3175-67.7178.8178.5-112-0.8110.2T111T111-R113 PolarHBondContact O-N 2.94Å; T111-R113 VanDerWaalsContact O-N 3.14Å
114G42.2Very low46.4Very low74 Ų74126.1 Ų126.176%0.76376%0.757SS**  trans-57.9136.1-174.500000114.5G112 R116G112-G114 PolarHBondContact O-N 3.41Å; G114-R116 PolarHBondContact O-N 3.22Å
115S54.4Low47.7Very low120 Ų120126.5 Ų126.584%0.83976%0.762SS**  trans-66.986.2-174.9-51.90000113.2K117S115-K117 PolarHBondContact O-N 3.13Å
116R57.4Low48.9Very low156 Ų156125.7 Ų125.759%0.58976%0.755SS**  trans-63.497.7171.9178.2-175.7-84.3-150.1-11.5110.3G114 Q118 S133G114-R116 PolarHBondContact O-N 3.22Å; R116-Q118 HydrophobicContact CG-CG 4.08Å; R116-Q118 PolarHBondContact O-N 3.35Å; R116-S133 PolarHBondContact NH1-OG 3.49Å
117K60.8Low50Low194 Ų194133.2 Ų133.284%0.84377%0.768SS**  trans-60.6117.6164.6-64.8-177.2-179.9-179.40108.7S115S115-K117 PolarHBondContact O-N 3.13Å
118Q54.2Low50.8Low103 Ų103131 Ų13148%0.48176%0.763SS.*  trans-103.7102.6170.8-64.4-168.830.400108.9R116 T120 V131R116-Q118 HydrophobicContact CG-CG 4.08Å; R116-Q118 PolarHBondContact O-N 3.35Å; Q118-T120 PolarHBondContact O-N 2.7Å; Q118-V131 HydrophobicContact CG-CG1 4.44Å
119L58.4Low51.7Low134 Ų134134 Ų13470%0.70277%0.765SS**  trans-68.9123.3168.5-9173.6000108.9
120T54.7Low52.5Low79 Ų79134.9 Ų134.949%0.48576%0.76SS.*  trans-105.299174.2-58.20000108.5Q118 T122Q118-T120 PolarHBondContact O-N 2.7Å; T120-T122 HydrophobicContact CG2-CG2 4.28Å; T120-T122 PolarHBondContact O-N 2.85Å
121V49.3Very low53.1Low111 Ų111135.6 Ų135.667%0.67375%0.75SS**  trans-83.899.9176.2-177.30000109.3M123V121-M123 HydrophobicContact CG1-CG 4.41Å; V121-M123 HydrophobicContact CG1-SD 4.1Å; V121-M123 PolarHBondContact O-N 2.79Å
122T60.8Low53.2Low117 Ų117134.3 Ų134.372%0.71874%0.742SS**  trans-84.692.6172.244.10000110.7T120 A124T120-T122 HydrophobicContact CG2-CG2 4.28Å; T120-T122 PolarHBondContact O-N 2.85Å; T122-A124 PolarHBondContact O-N 2.81Å
123M60.7Low53.9Low145 Ų145133 Ų13371%0.71472%0.719SS**  trans-68129165.9-65.9-53.8-59.100110.2V121V121-M123 HydrophobicContact CG1-CG 4.41Å; V121-M123 HydrophobicContact CG1-SD 4.1Å; V121-M123 PolarHBondContact O-N 2.79Å
124A54.2Low53.7Low102 Ų102129.9 Ų129.984%0.84372%0.715SS**THydrogen-bonded Turntrans-59.6146.9173.100000111.3T122T122-A124 PolarHBondContact O-N 2.81Å
125G60.7Low53.5Low83 Ų83137.4 Ų137.486%0.85672%0.72SS**THydrogen-bonded Turntrans92.2-15171.400000117.7
126K58.3Low52.8Low190 Ų190136.9 Ų136.983%0.82671%0.714SS**  trans-132.3118.7178.9-69.8178.2-176.7166.70113.2G128K126-G128 PolarHBondContact O-N 2.99Å
127K54.9Low51.7Low227 Ų227138.9 Ų138.999%0.98773%0.73SS**  trans-74.983.2-173.7-52-176.3-170.4-175.20111.8
128G54.5Low50.5Low66 Ų66138.9 Ų138.968%0.6873%0.73SS**  trans-165.1111.817600000114.3K126 R130K126-G128 PolarHBondContact O-N 2.99Å; G128-R130 PolarHBondContact O-N 2.81Å
129K55.8Low49.4Very low193 Ų193143 Ų14384%0.83975%0.75SS**  trans-75115.7172.2-65.4-175.2179.4-176.20109.5
130R54.8Low48.4Very low208 Ų208142.8 Ų142.879%0.78576%0.756SS**  trans-110.2111.4169.5-87.9178.452.2162.5-6.3109.7G128G128-R130 PolarHBondContact O-N 2.81Å
131V47.3Very low47.2Very low82 Ų82142.4 Ų142.450%0.49777%0.768SS.*  trans-77.6123.2166.71740000108.3Q118Q118-V131 HydrophobicContact CG-CG1 4.44Å
132V42.6Very low46.5Very low106 Ų106143.4 Ų143.464%0.64278%0.777SS**  trans-101117163.71790000106.7
133S50.3Low45.1Very low60 Ų60146.1 Ų146.142%0.4279%0.786SS.*  trans-107.1113.8169.868.50000109.9R116R116-S133 PolarHBondContact NH1-OG 3.49Å
134E42.5Very low43.7Very low178 Ų178146.8 Ų146.883%0.83279%0.792SS**  trans-55143.1167.6-167.6175.4-177.900110.8
135R36.4Very low42.5Very low231 Ų231150.9 Ų150.987%0.87279%0.794SS**  trans-118.9109.8-177.2177.5178.9178.8160.60.2107.9
136P40.1Very low41Very low110 Ų110150.5 Ų150.571%0.71479%0.79SS**  trans-65.7140.5-178.126.3-33.9000111.4
137E34.7Very low39.8Very low197 Ų197150 Ų15092%0.92179%0.79SS**  trans-69.4152.7172.2-167.1165.5-162.200110.6
138K35.5Very low38.8Very low194 Ų194145.4 Ų145.484%0.84378%0.781SS**  trans-128.5127.5-176.9-80.8-165.7170.6-165.40111.9
139Q31.2Very low37.9Very low191 Ų191153.3 Ų153.389%0.89379%0.791SS**  trans-73.9161.8164-74.1-159.2-0.200111.9
140P37Very low36.7Very low129 Ų129152.4 Ų152.484%0.83879%0.789SS**  trans-100.1146.5-159.636.5-34.5000116.4
141G28.9Very low35.6Very low71 Ų71147.9 Ų147.973%0.73279%0.785SS**  trans115.1159.2159.200000115.6
142P35.7Very low34.8Very low132 Ų132152.1 Ų152.186%0.85780%0.799SS**  cis-106.5-160.4-10.940.3-29.8000112.6
143L31.8Very low34.3Very low173 Ų173152.6 Ų152.691%0.90681%0.807SS**  trans-62.7147.5-178-92.563.2000114.9
144D30.5Very low33.5Very low159 Ų159153.9 Ų153.985%0.8582%0.821SS**  -151166.4124-161.49.9000110.1
145E29.9Very low32.9Very low189 Ų189148.9 Ų148.988%0.88382%0.817SS**  trans-76.9156.6-172.4-70-152.2107.600115.1
146G29.2Very low32.7Very low74 Ų74150.1 Ų150.176%0.76382%0.822SS**  trans-90.6163.6-171.100000115
147Q32.3Very low32.2Very low179 Ų179148.2 Ų148.284%0.83682%0.823SS**  trans-141146.6164.4-99.8-176.71700113.4
148T33.8Very low32.3Very low131 Ų131148.8 Ų148.880%0.80482%0.822SS**  trans61.2131.3157.956.50000120.2
149R36.3Very low32.2Very low232 Ų232148 Ų14888%0.87582%0.821SS**  trans-70.9145.5160.9-58161.9175.2-130.8-0.3109.2
150Q29.9Very low32.4Very low174 Ų174143 Ų14381%0.81381%0.805SS**  trans-125.3134.7152.3-105.7-69.715.700108.2
151V32.2Very low32.2Very low113 Ų113142.9 Ų142.969%0.68581%0.807SS**  trans-127.4111.9-178.5174.50000107
152E29.8Very low32.4Very low172 Ų172148.1 Ų148.180%0.80481%0.81SS**  trans-130.5116.9167.4-155.9173.4135.700111
153S32.4Very low32.1Very low115 Ų115148.4 Ų148.480%0.80481%0.81SS**  trans-106.392.1174.6-68.70000109.2
154A34.3Very low32Very low87 Ų87147.1 Ų147.172%0.71981%0.809SS**  trans-106.28017900000111.3
155G28.7Very low32.1Very low73 Ų73147.6 Ų147.675%0.75380%0.804SS**  trans-91.4119178.700000113.6
156R32.7Very low32.1Very low258 Ų258148.2 Ų148.297%0.97480%0.798SS**  trans-167.8143.8159.3-108.1163.8-170.7-117.13.2110.3
157G30.2Very low32Very low70 Ų70150.2 Ų150.272%0.72279%0.787SS**  trans147.746.2174.200000117.3Q159G157-Q159 PolarHBondContact O-N 2.79Å
158K35.8Very low31.8Very low209 Ų209146.3 Ų146.391%0.90978%0.78SS**PPolyproline II helixtrans-66.7125.1167.5-74.1-171.7175.6-173.60109.5
159Q33.4Very low31.6Very low178 Ų178145.5 Ų145.583%0.83278%0.779SS**PPolyproline II helixtrans-73.1131169-72.9-65.1-23.800110.1G157G157-Q159 PolarHBondContact O-N 2.79Å
160P36.7Very low31.3Very low85 Ų85139.4 Ų139.455%0.55277%0.772SS**PPolyproline II helixtrans-86.7125.9174.932.6-30.9000111
161S32.4Very low31.4Very low126 Ų126136 Ų13688%0.88177%0.767SS**PPolyproline II helixtrans-62.9133.7157.144.70000109.1
162K33.1Very low31.3Very low182 Ų182136.2 Ų136.279%0.79177%0.774SS**  trans-128.9111.2175.1-69.8-167.5178.4-173.70110.1
163T29Very low31.3Very low138 Ų138133.6 Ų133.685%0.84778%0.775SS**  trans-76.6142.9166.149.30000110.3
164T30.2Very low30.9Very low145 Ų145134.1 Ų134.189%0.8978%0.779SS**  trans-124.5115.8159.745.40000108.8
165K32.5Very low30.5Very low170 Ų170134.9 Ų134.974%0.73979%0.785SS**  trans-103.3141.4173168.7-167.9169.9-167.40107.8E167K165-E167 VanDerWaalsContact CE-OE1 3.27Å; K165-E167 WeakPolarHBondContact CE-OE1 3.4Å; K165-E167 IonicContact NZ-OE1 3.84Å; K165-E167 PolarHBondContact NZ-OE1 3.3Å
166R28.6Very low30.4Very low201 Ų201136.5 Ų136.576%0.75879%0.791SS**  trans171.2118.4137.8-93.7-163.2156.31152.4108.5
167E27.1Very low30.2Very low117 Ų117129.4 Ų129.455%0.54779%0.787SS.*  77.2125.992.6-76.5159-150.300110.7K165K165-E167 VanDerWaalsContact CE-OE1 3.27Å; K165-E167 WeakPolarHBondContact CE-OE1 3.4Å; K165-E167 IonicContact NZ-OE1 3.84Å; K165-E167 PolarHBondContact NZ-OE1 3.3Å
168S28.4Very low30.1Very low97 Ų97131 Ų13168%0.67879%0.794SS**  cis-158171.58.5-780000112.4
169S29Very low29.8Very low114 Ų114125.5 Ų125.580%0.79779%0.787SS**  trans59.2142.7154.4440000119.8
170S31.3Very low29.8Very low103 Ų103125.3 Ų125.372%0.7278%0.784SS**  cis-168.5154.6-7.9410000110.5
171S32.2Very low29.5Very low102 Ų102128.6 Ų128.671%0.71379%0.792SS**  trans41.6112.7158.855.70000119.3
172S30.1Very low29.5Very low119 Ų119130.3 Ų130.383%0.83279%0.786SS**  cis71.5111.635.691.80000116.6
173S29.3Very low29.5Very low117 Ų117127.7 Ų127.782%0.81878%0.779SS**  trans-158.5122.2159.852.50000112.9
174S24.8Very low29.7Very low126 Ų126129 Ų12988%0.88177%0.773SS**  trans173.3135.1145.234.90000110.6
175A25.2Very low29.7Very low103 Ų103129.7 Ų129.785%0.85177%0.766SS**  trans122.993.416700000115.9
176A26.1Very low29.5Very low107 Ų107132.8 Ų132.888%0.88477%0.773SS**  trans31.9116.8142.800000122.1
177A28.2Very low30.4Very low108 Ų108127.8 Ų127.889%0.89377%0.767SS**  trans-143.2152.4131.300000108.2
178A28.3Very low30.4Very low105 Ų105129.2 Ų129.287%0.86878%0.775SS**  trans-111.5144.5-167.700000114
179A30.1Very low30.4Very low92 Ų92131 Ų13176%0.7678%0.777SS**  trans-172.6126.9141.100000113
180K33.3Very low30.6Very low175 Ų175130.5 Ų130.576%0.76178%0.78SS**  trans55.2140.8147.1-76175.2152.6-107.60122.8
181E30.8Very low30.9Very low153 Ų153134 Ų13472%0.71579%0.785SS**  trans61.5146.7145.3-71.5155.8-142.600118.8
182E31.6Very low31Very low162 Ų162137.8 Ų137.876%0.75779%0.791SS**  cis-159.2-177.5-31.7-146.6-152.1136.100108.3
183I34.2Very low31.3Very low128 Ų128140.5 Ų140.566%0.65679%0.791SS**  trans65.791.9155.5-62.4161.3000118.2
184K33.3Very low31.5Very low165 Ų165142.7 Ų142.772%0.71779%0.788SS**  78.7104.4110.6-158.3176.1-179.7179.90122.2
185Q30.4Very low32Very low160 Ų160145.7 Ų145.775%0.74879%0.785SS**  trans83.1119.7130.9-69.9173.6-13.900124.4
186R27.7Very low32.3Very low235 Ų235147.9 Ų147.989%0.88778%0.783SS**  trans78.9156.5133.5-85.2-160.9139.9172.4-4.9121.9
187P48.1Very low32.9Very low96 Ų96149.3 Ų149.362%0.62378%0.78SS**  trans-126.4-172.4-165.843.9-27.2000113.7
188M26.6Very low33.4Very low146 Ų146152.2 Ų152.272%0.71978%0.776SS**  169.4146.7121.6-88.6-53.7-170.900112.9
189N28.7Very low33.8Very low135 Ų135156.2 Ų156.272%0.72278%0.776SS**  trans20.3139.1146-51.1-2.9000122.3
190A32.3Very low34Very low104 Ų104160.8 Ų160.886%0.8678%0.782SS**  trans-148.7135.6132.700000110
191E37Very low34Very low177 Ų177162.6 Ų162.683%0.82779%0.79SS**  trans-95.4158.7165.8-65.8149.586.100109.1
192E36Very low34.1Very low180 Ų180163.4 Ų163.484%0.84179%0.794SS**  trans-165.8152134.4-113.5172.8165.100112.2
193Q34.7Very low35Very low177 Ų177160.6 Ų160.683%0.82779%0.79SS**  trans-117.8138.7179.1-59.3178.61.300110.2
194H34.3Very low34.8Very low163 Ų163163.9 Ų163.976%0.75580%0.802SS**  trans-145.192.5162.7-84.9-58.3000114.8
195K35.1Very low35Very low189 Ų189161 Ų16182%0.82280%0.803SS**  52.1149.8127.3-65.8-167.9174.5-172.30122.6
196D32.3Very low35.7Very low149 Ų149158.1 Ų158.180%0.79780%0.798SS**  trans-83.5167.7-172.4-36.8-97000114.1
197T37.2Very low36Very low136 Ų136155 Ų15583%0.83479%0.793SS**  trans-151.7117.2156.9-62.20000109.4
198E39.4Very low35.8Very low169 Ų169155.8 Ų155.879%0.7980%0.798SS**  trans-80.8146.5175.1-64.4176.595.300112.6
199Q36.3Very low36.6Very low190 Ų190153.7 Ų153.789%0.88880%0.798SS**  trans-158.6129.3142.8-119.5142.59100111.5
200Q35.1Very low37.4Very low188 Ų188151.4 Ų151.488%0.87979%0.789SS**  trans-82.2145-174.5-59.4170.3-78.300112.5
201K33.8Very low38.1Very low212 Ų212150.6 Ų150.692%0.92277%0.771SS**  trans-148.4137.7137-150.7173.6-176.8-177.30111.5
202E32.3Very low39.2Very low170 Ų170149.4 Ų149.479%0.79477%0.769SS**  trans-106.2178.9-173.8-149.2-145.7-169.600110.5
203P50.4Low40.4Very low104 Ų104147.6 Ų147.668%0.67577%0.765SS**  -104.7154.6-74.829.2-18.1000112.2
204E30.1Very low41.7Very low196 Ų196144 Ų14492%0.91675%0.751SS**  trans-141.1122.6159.3-165.4166.9-164.600112
205S37Very low42.9Very low105 Ų105137.1 Ų137.173%0.73472%0.721SS**  trans-130.3154.6164.482.60000107
206P45.5Very low44.2Very low99 Ų99132.8 Ų132.864%0.64371%0.71SS**  cis-129.7146.818.938.5-23.4000115
207Q34.5Very low46Very low169 Ų169127.9 Ų127.979%0.7969%0.687SS**  trans-137.599.6154.4-75.4-61.6-72.100109.4S209Q207-S209 PolarHBondContact O-N 3.22Å
208P43.1Very low47.5Very low113 Ų113130.1 Ų130.173%0.73468%0.68SS**  trans-76.362.9168.933.5-34.5000109.8T210P208-T210 PolarHBondContact O-N 3.03Å
209S43.7Very low49.2Very low102 Ų102129.2 Ų129.271%0.71368%0.676SS**  trans-90.841.6170.268.20000110.9Q207 D211Q207-S209 PolarHBondContact O-N 3.22Å; S209-D211 PolarHBondContact O-N 3.03Å
210T46.3Very low51.2Low87 Ų87124.2 Ų124.253%0.53465%0.653SS.*  trans-62.1122.1159.332.50000107.6P208 L212P208-T210 PolarHBondContact O-N 3.03Å; T210-L212 PolarHBondContact O-N 3.28Å
211D46.2Very low53.3Low88 Ų88119.7 Ų119.747%0.47163%0.632SS.*  trans-65.4107.3173.1-179.97.8000108.5S209 N213 I214S209-D211 PolarHBondContact O-N 3.03Å; D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 WeakPolarHBondContact OD1-CB 3.37Å; D211-N213 PolarHBondContact OD1-N 3.19Å; D211-N213 PolarHBondContact OD1-ND2 3.08Å; D211-I214 HydrophobicContact CB-CD1 4.38Å; D211-I214 HydrophobicContact CB-CG1 4.44Å; D211-I214 PolarHBondContact O-N 3.04Å
212L60.4Low55.7Low152 Ų152112.7 Ų112.780%0.79660%0.602SS**THydrogen-bonded Turntrans-65.54.2-177-56.5176.9000113.7T210T210-L212 PolarHBondContact O-N 3.28Å
213N60Low58.2Low141 Ų141111 Ų11175%0.75459%0.594SS**THydrogen-bonded Turntrans-89.7-10.2167.9-62-87.1000113.4D211D211-N213 PolarHBondContact O-N 2.83Å; D211-N213 WeakPolarHBondContact OD1-CB 3.37Å; D211-N213 PolarHBondContact OD1-N 3.19Å; D211-N213 PolarHBondContact OD1-ND2 3.08Å
214I62.1Low60.1Low102 Ų102111.5 Ų111.552%0.52358%0.583SS.*SBendtrans-102.9120.4176.5-56.3178.4000108.1D211 T216D211-I214 HydrophobicContact CB-CD1 4.38Å; D211-I214 HydrophobicContact CB-CG1 4.44Å; D211-I214 PolarHBondContact O-N 3.04Å; I214-T216 WeakPolarHBondContact O-CG2 3.44Å; I214-T216 PolarHBondContact O-N 3.03Å
215P60.2Low62.9Low19 Ų19107.2 Ų107.212%0.12357%0.566CS.*  trans-53.8122.2175.3-2836.3000111.2E220 Q221 Y224P215-E220 VanDerWaalsContact CA-CD 3.48Å; P215-E220 WeakPolarHBondContact CA-OE1 3.34Å; P215-E220 WeakPolarHBondContact CA-OE2 3.41Å; P215-E220 HydrophobicContact CB-CB 3.86Å; P215-E220 HydrophobicContact CB-CG 3.72Å; P215-Q221 HydrophobicContact CB-CB 4.5Å; P215-Q221 HydrophobicContact CB-CG 3.74Å; P215-Q221 WeakPolarHBondContact O-CG 3.36Å; P215-Q221 PolarHBondContact O-NE2 2.97Å; P215-Y224 HydrophobicContact CG-CD1 4.48Å; P215-Y224 HydrophobicContact CG-CG 4.14Å
216T63.1Low65.5Low98 Ų98109.8 Ų109.860%0.60156%0.56SS**  trans-92.9-21.9-165.759.60000113I214 E220I214-T216 WeakPolarHBondContact O-CG2 3.44Å; I214-T216 PolarHBondContact O-N 3.03Å; T216-E220 PolarHBondContact N-OE2 3.18Å
217S69.9Low67.8Low45 Ų45109.9 Ų109.932%0.31555%0.547SS..SBendtrans-90.9146.6164.2176.70000111.2E219 E220 Q221S217-E219 PolarHBondContact O-N 2.76Å; S217-E219 PolarHBondContact OG-N 3.32Å; S217-E220 PolarHBondContact N-OE2 2.78Å; S217-E220 WeakPolarHBondContact O-CB 3.36Å; S217-E220 PolarHBondContact O-N 3.33Å; S217-Q221 WeakPolarHBondContact O-CG 3.43Å; S217-Q221 PolarHBondContact O-N 2.8Å
218R69.2Low70.7Confident184 Ų184107.5 Ų107.569%0.69454%0.535SS*.Hα-helixtrans-55.3-39.4168.9175-175159.8-176.2-5.5111.6E220 Q221 E222R218-E220 VanDerWaalsContact C-N 3.34Å; R218-Q221 WeakPolarHBondContact O-CB 2.82Å; R218-Q221 PolarHBondContact O-N 2.75Å; R218-E222 IonicContact CZ-OE1 2.66Å; R218-E222 IonicContact NE-OE1 3.19Å; R218-E222 PolarHBondContact NE-OE1 3.07Å; R218-E222 IonicContact NH2-OE1 2.72Å; R218-E222 PolarHBondContact NH2-OE1 3.21Å; R218-E222 VanDerWaalsContact NH2-OE1 3.08Å; R218-E222 PolarHBondContact O-N 2.83Å
219E74.3Confident73.1Confident149 Ų149108.7 Ų108.770%0.69653%0.528SS*.Hα-helixtrans-67.9-38.6-178.5-63.2164.515500110.7S217 Q221 E222 E223S217-E219 PolarHBondContact O-N 2.76Å; S217-E219 PolarHBondContact OG-N 3.32Å; E219-Q221 VanDerWaalsContact C-N 3.34Å; E219-E222 PolarHBondContact O-N 3.06Å; E219-E223 WeakPolarHBondContact O-CB 3.13Å; E219-E223 PolarHBondContact O-N 3.25Å
220E78.6Confident75.4Confident85 Ų85108.8 Ų108.840%0.39752%0.517SS..Hα-helixtrans-66.3-34174.1-158.6-159.715900111.5P215 T216 S217 R218 E223 Y224P215-E220 VanDerWaalsContact CA-CD 3.48Å; P215-E220 WeakPolarHBondContact CA-OE1 3.34Å; P215-E220 WeakPolarHBondContact CA-OE2 3.41Å; P215-E220 HydrophobicContact CB-CB 3.86Å; P215-E220 HydrophobicContact CB-CG 3.72Å; T216-E220 PolarHBondContact N-OE2 3.18Å; S217-E220 PolarHBondContact N-OE2 2.78Å; S217-E220 WeakPolarHBondContact O-CB 3.36Å; S217-E220 PolarHBondContact O-N 3.33Å; R218-E220 VanDerWaalsContact C-N 3.34Å; E220-E223 PolarHBondContact O-N 2.69Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.42Å; E220-Y224 PolarHBondContact O-N 3.06Å
221Q78.1Confident77.7Confident94 Ų94111 Ų11144%0.43952%0.516SS..Hα-helixtrans-68.1-42.2170.9-67.8177.114.600111.9P215 S217 R218 E219 E223 Y224 L225P215-Q221 HydrophobicContact CB-CB 4.5Å; P215-Q221 HydrophobicContact CB-CG 3.74Å; P215-Q221 WeakPolarHBondContact O-CG 3.36Å; P215-Q221 PolarHBondContact O-NE2 2.97Å; S217-Q221 WeakPolarHBondContact O-CG 3.43Å; S217-Q221 PolarHBondContact O-N 2.8Å; R218-Q221 WeakPolarHBondContact O-CB 2.82Å; R218-Q221 PolarHBondContact O-N 2.75Å; E219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; Q221-Y224 PolarHBondContact O-N 2.77Å; Q221-L225 WeakPolarHBondContact O-CG 3.41Å; Q221-L225 PolarHBondContact O-N 3.43Å
222E84.3Confident79.9Confident65 Ų65112.4 Ų112.430%0.30452%0.52SS..Hα-helixtrans-65.4-36.6174.3-70.3-173.8-153.400111.8R218 E219 L225 R226R218-E222 IonicContact CZ-OE1 2.66Å; R218-E222 IonicContact NE-OE1 3.19Å; R218-E222 PolarHBondContact NE-OE1 3.07Å; R218-E222 IonicContact NH2-OE1 2.72Å; R218-E222 PolarHBondContact NH2-OE1 3.21Å; R218-E222 VanDerWaalsContact NH2-OE1 3.08Å; R218-E222 PolarHBondContact O-N 2.83Å; E219-E222 PolarHBondContact O-N 3.06Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-R226 WeakPolarHBondContact O-CD 3.41Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 2.84Å; E222-R226 PolarHBondContact O-NE 3.46Å; E222-R226 IonicContact OE2-NH2 3.35Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å
223E86.4Confident81.2Confident133 Ų133110.4 Ų110.462%0.62151%0.506SS*.Hα-helixtrans-66.9-45.3172.4-174.5172.5-161.100111.7E219 E220 Q221 L225 R226 W227E219-E223 WeakPolarHBondContact O-CB 3.13Å; E219-E223 PolarHBondContact O-N 3.25Å; E220-E223 PolarHBondContact O-N 2.69Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.71Å; E223-R226 CarbonylContact O-C 3.58Å; E223-R226 WeakPolarHBondContact O-CA 3.41Å; E223-R226 WeakPolarHBondContact O-CB 3.27Å; E223-R226 PolarHBondContact O-N 2.95Å; E223-W227 WeakPolarHBondContact O-CB 3.46Å; E223-W227 PolarHBondContact O-N 3.28Å
224Y88.8Confident82.3Confident115 Ų115106.8 Ų106.845%0.45149%0.486SS..Hα-helixtrans-59.8-35.8175.2-178.7-109.6000112.4P215 E220 Q221 W227 K228P215-Y224 HydrophobicContact CG-CD1 4.48Å; P215-Y224 HydrophobicContact CG-CG 4.14Å; E220-Y224 VanDerWaalsContact O-CB 3.31Å; E220-Y224 WeakPolarHBondContact O-CB 3.42Å; E220-Y224 PolarHBondContact O-N 3.06Å; Q221-Y224 PolarHBondContact O-N 2.77Å; Y224-W227 AromaticContact CD2-CE3 3.76Å; Y224-W227 HydrophobicContact CD2-CE3 3.76Å; Y224-W227 AromaticContact CD2-CZ3 4Å; Y224-W227 HydrophobicContact CD2-CZ3 4Å; Y224-W227 AromaticContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CH2 4.32Å; Y224-W227 AromaticContact CE2-CZ3 3.39Å; Y224-W227 HydrophobicContact CE2-CZ3 3.39Å; Y224-K228 WeakPolarHBondContact O-CB 3.42Å; Y224-K228 PolarHBondContact O-N 2.8Å
225L90.3Very high83.7Confident107 Ų107105.5 Ų105.556%0.5648%0.48SS*.Hα-helixtrans-68.4-39.3172.2-72.2171.6000112.5Q221 E222 E223 K228 K229Q221-L225 WeakPolarHBondContact O-CG 3.41Å; Q221-L225 PolarHBondContact O-N 3.43Å; E222-L225 PolarHBondContact O-N 3.43Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.71Å; L225-K228 PolarHBondContact O-N 3.23Å; L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.24Å; L225-K229 PolarHBondContact O-N 2.87Å
226R90.9Very high84.8Confident158 Ų158111 Ų11160%0.59650%0.499SS*.Hα-helixtrans-63.2-50.3173.6-67.3161.6-149.7-139.35.6110.7E222 E223 K228 K229 E230E222-R226 WeakPolarHBondContact O-CD 3.41Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 2.84Å; E222-R226 PolarHBondContact O-NE 3.46Å; E222-R226 IonicContact OE2-NH2 3.35Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å; E223-R226 CarbonylContact O-C 3.58Å; E223-R226 WeakPolarHBondContact O-CA 3.41Å; E223-R226 WeakPolarHBondContact O-CB 3.27Å; E223-R226 PolarHBondContact O-N 2.95Å; R226-K228 PolarHBondContact O-N 3.37Å; R226-K229 PolarHBondContact O-N 3.22Å; R226-E230 WeakPolarHBondContact O-CB 3.44Å; R226-E230 PolarHBondContact O-N 2.59Å
227W94.3Very high85.4Confident101 Ų101110.3 Ų110.338%0.38349%0.488SS..Hα-helixtrans-58.6-40.8174.8172.687.6000112.9E223 Y224 E230 R231E223-W227 WeakPolarHBondContact O-CB 3.46Å; E223-W227 PolarHBondContact O-N 3.28Å; Y224-W227 AromaticContact CD2-CE3 3.76Å; Y224-W227 HydrophobicContact CD2-CE3 3.76Å; Y224-W227 AromaticContact CD2-CZ3 4Å; Y224-W227 HydrophobicContact CD2-CZ3 4Å; Y224-W227 AromaticContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CE3 3.65Å; Y224-W227 HydrophobicContact CE2-CH2 4.32Å; Y224-W227 AromaticContact CE2-CZ3 3.39Å; Y224-W227 HydrophobicContact CE2-CZ3 3.39Å; W227-E230 PolarHBondContact O-N 3.2Å; W227-R231 HydrophobicContact CD2-CG 4.13Å; W227-R231 HydrophobicContact CZ2-CG 4.16Å; W227-R231 VanDerWaalsContact CZ2-CZ 3.47Å; W227-R231 VanDerWaalsContact CZ2-NH1 3.28Å; W227-R231 WeakPolarHBondContact O-CB 3.48Å; W227-R231 VanDerWaalsContact O-CG 3.3Å; W227-R231 WeakPolarHBondContact O-CG 3.47Å; W227-R231 PolarHBondContact O-N 2.94Å
228K94.8Very high85.8Confident120 Ų120113.5 Ų113.552%0.52249%0.494SS..Hα-helixtrans-66.9-40.6177-175.3178.8177.1-1740111.4Y224 L225 R226 E232Y224-K228 WeakPolarHBondContact O-CB 3.42Å; Y224-K228 PolarHBondContact O-N 2.8Å; L225-K228 PolarHBondContact O-N 3.23Å; R226-K228 PolarHBondContact O-N 3.37Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 3.47Å
229K93Very high86Confident137 Ų137107 Ų10760%0.59647%0.474SS*.Hα-helixtrans-68-36.7175-174.5-179.2179.7-176.50112.1L225 R226 Q233L225-K229 VanDerWaalsContact O-CB 3.31Å; L225-K229 WeakPolarHBondContact O-CB 3.24Å; L225-K229 PolarHBondContact O-N 2.87Å; R226-K229 PolarHBondContact O-N 3.22Å; K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 PolarHBondContact O-N 2.97Å
230E92.3Very high85.9Confident105 Ų105103.1 Ų103.149%0.49147%0.468SS..Hα-helixtrans-65.4-49.9172.2-175.4-159.1-166.500110.8R226 W227 E232 Q233 I234R226-E230 WeakPolarHBondContact O-CB 3.44Å; R226-E230 PolarHBondContact O-N 2.59Å; W227-E230 PolarHBondContact O-N 3.2Å; E230-E232 VanDerWaalsContact C-N 3.3Å; E230-E232 PolarHBondContact O-N 3.14Å; E230-Q233 CarbonylContact O-C 3.58Å; E230-Q233 WeakPolarHBondContact O-CA 3.41Å; E230-Q233 WeakPolarHBondContact O-CB 3.41Å; E230-Q233 PolarHBondContact O-N 3.2Å; E230-I234 HydrophobicContact CG-CD1 3.92Å; E230-I234 HydrophobicContact CG-CG1 4.47Å; E230-I234 WeakPolarHBondContact O-CG1 3.28Å; E230-I234 PolarHBondContact O-N 2.99Å
231R95.4Very high85.3Confident133 Ų133107.3 Ų107.350%0.50248%0.48SS..Hα-helixtrans-54.7-45.4173-79.3-74.5178.295.4-2.8111.7W227 Q233 I234 D235W227-R231 HydrophobicContact CD2-CG 4.13Å; W227-R231 HydrophobicContact CZ2-CG 4.16Å; W227-R231 VanDerWaalsContact CZ2-CZ 3.47Å; W227-R231 VanDerWaalsContact CZ2-NH1 3.28Å; W227-R231 WeakPolarHBondContact O-CB 3.48Å; W227-R231 VanDerWaalsContact O-CG 3.3Å; W227-R231 WeakPolarHBondContact O-CG 3.47Å; W227-R231 PolarHBondContact O-N 2.94Å; R231-Q233 VanDerWaalsContact C-N 3.33Å; R231-I234 PolarHBondContact O-N 3.04Å; R231-D235 VanDerWaalsContact O-CB 3.3Å; R231-D235 WeakPolarHBondContact O-CB 3.43Å; R231-D235 PolarHBondContact O-N 3.39Å
232E91.5Very high84.5Confident118 Ų118105.3 Ų105.355%0.55147%0.47SS*.Hα-helixtrans-66.1-32.8174.7-178.3176.8-135.300112.6K228 E230 R236K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 3.47Å; E230-E232 VanDerWaalsContact C-N 3.3Å; E230-E232 PolarHBondContact O-N 3.14Å; E232-R236 VanDerWaalsContact O-CB 3.28Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 VanDerWaalsContact O-CG 3.23Å; E232-R236 WeakPolarHBondContact O-CG 3.32Å; E232-R236 PolarHBondContact O-N 3.28Å; E232-R236 PolarHBondContact O-NE 2.95Å
233Q88.7Confident83.6Confident109 Ų109107.3 Ų107.351%0.50948%0.478SS..Hα-helixtrans-68.3-49.8173.2-177.7165.3-53.400111.6K229 E230 R231 D235 R236 E237K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 PolarHBondContact O-N 2.97Å; E230-Q233 CarbonylContact O-C 3.58Å; E230-Q233 WeakPolarHBondContact O-CA 3.41Å; E230-Q233 WeakPolarHBondContact O-CB 3.41Å; E230-Q233 PolarHBondContact O-N 3.2Å; R231-Q233 VanDerWaalsContact C-N 3.33Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.35Å; Q233-R236 PolarHBondContact O-N 3.48Å; Q233-E237 WeakPolarHBondContact O-CB 3.49Å; Q233-E237 PolarHBondContact O-N 2.86Å
234I81.4Confident82.7Confident66 Ų66103.5 Ų103.534%0.33846%0.462SS..Hα-helixtrans-60.3-39.1176-63.5167.4000110.1E230 R231 R238E230-I234 HydrophobicContact CG-CD1 3.92Å; E230-I234 HydrophobicContact CG-CG1 4.47Å; E230-I234 WeakPolarHBondContact O-CG1 3.28Å; E230-I234 PolarHBondContact O-N 2.99Å; R231-I234 PolarHBondContact O-N 3.04Å; I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 PolarHBondContact O-N 3.37Å
235D91.8Very high81.8Confident74 Ų74103.7 Ų103.740%0.39649%0.487SS..Hα-helixtrans-69.6-45.5175.9-85.533.5000111.9R231 Q233 E237 R238 V239R231-D235 VanDerWaalsContact O-CB 3.3Å; R231-D235 WeakPolarHBondContact O-CB 3.43Å; R231-D235 PolarHBondContact O-N 3.39Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.35Å; D235-E237 VanDerWaalsContact C-N 3.31Å; D235-E237 PolarHBondContact O-N 2.84Å; D235-R238 PolarHBondContact O-N 2.81Å; D235-R238 IonicContact OD1-CZ 2.66Å; D235-R238 IonicContact OD1-NH1 2.91Å; D235-R238 PolarHBondContact OD1-NH1 2.9Å; D235-R238 IonicContact OD1-NH2 3.98Å; D235-R238 PolarHBondContact OD1-NH2 2.96Å; D235-R238 IonicContact OD2-NH1 2.7Å; D235-R238 PolarHBondContact OD2-NH1 3.3Å; D235-V239 WeakPolarHBondContact O-CB 3.29Å; D235-V239 VanDerWaalsContact O-CG2 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.39Å; D235-V239 PolarHBondContact O-N 3.03Å
236R82.8Confident80.7Confident136 Ų136104.7 Ų104.751%0.51349%0.487SS..Hα-helixtrans-58.1-43.6173.1-79.8-180-67.1130-3111.8E232 Q233 V239 A240E232-R236 VanDerWaalsContact O-CB 3.28Å; E232-R236 WeakPolarHBondContact O-CB 3.31Å; E232-R236 VanDerWaalsContact O-CG 3.23Å; E232-R236 WeakPolarHBondContact O-CG 3.32Å; E232-R236 PolarHBondContact O-N 3.28Å; E232-R236 PolarHBondContact O-NE 2.95Å; Q233-R236 PolarHBondContact O-N 3.48Å; R236-V239 PolarHBondContact O-N 2.8Å; R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.2Å
237E76.3Confident79.8Confident82 Ų8299.4 Ų99.438%0.38348%0.482SS..Hα-helixtrans-69-41.2-179.9-166.6-164.3-141.700111.7Q233 D235 V239 A240 R241Q233-E237 WeakPolarHBondContact O-CB 3.49Å; Q233-E237 PolarHBondContact O-N 2.86Å; D235-E237 VanDerWaalsContact C-N 3.31Å; D235-E237 PolarHBondContact O-N 2.84Å; E237-V239 VanDerWaalsContact C-N 3.33Å; E237-V239 PolarHBondContact O-N 3.28Å; E237-A240 PolarHBondContact O-N 3.48Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 3.16Å; E237-R241 IonicContact OE1-CZ 2.7Å; E237-R241 IonicContact OE1-NH1 2.69Å; E237-R241 PolarHBondContact OE1-NH1 3.3Å; E237-R241 IonicContact OE1-NH2 3.36Å; E237-R241 PolarHBondContact OE1-NH2 3.29Å; E237-R241 IonicContact OE2-CZ 2.73Å; E237-R241 IonicContact OE2-NH1 3.1Å; E237-R241 PolarHBondContact OE2-NH1 3.4Å; E237-R241 IonicContact OE2-NH2 3.09Å
238R78.6Confident78.9Confident113 Ų11398.6 Ų98.643%0.42648%0.482SS..Hα-helixtrans-60.9-40.9171.4-168.8-167.6-50.4123.211.3111.4I234 D235 H242I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 PolarHBondContact O-N 3.37Å; D235-R238 PolarHBondContact O-N 2.81Å; D235-R238 IonicContact OD1-CZ 2.66Å; D235-R238 IonicContact OD1-NH1 2.91Å; D235-R238 PolarHBondContact OD1-NH1 2.9Å; D235-R238 IonicContact OD1-NH2 3.98Å; D235-R238 PolarHBondContact OD1-NH2 2.96Å; D235-R238 IonicContact OD2-NH1 2.7Å; D235-R238 PolarHBondContact OD2-NH1 3.3Å; R238-H242 VanDerWaalsContact O-CB 3.27Å; R238-H242 WeakPolarHBondContact O-CB 3.46Å; R238-H242 PolarHBondContact O-CD2 3.44Å; R238-H242 VanDerWaalsContact O-CD2 3.22Å; R238-H242 PolarHBondContact O-N 3.07Å; R238-H242 VanDerWaalsContact O-N 3.12Å
239V72.8Confident78Confident47 Ų47100.9 Ų100.929%0.28549%0.488SS..Hα-helixtrans-68.2-39.3175173.60000111.4D235 R236 E237 H242 K243 W249D235-V239 WeakPolarHBondContact O-CB 3.29Å; D235-V239 VanDerWaalsContact O-CG2 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.39Å; D235-V239 PolarHBondContact O-N 3.03Å; R236-V239 PolarHBondContact O-N 2.8Å; E237-V239 VanDerWaalsContact C-N 3.33Å; E237-V239 PolarHBondContact O-N 3.28Å; V239-H242 PolarHBondContact O-N 3.43Å; V239-K243 HydrophobicContact CG1-CD 3.96Å; V239-K243 HydrophobicContact CG1-CG 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.42Å; V239-K243 PolarHBondContact O-N 3.37Å; V239-W249 HydrophobicContact CB-CH2 4.32Å; V239-W249 HydrophobicContact CB-CZ3 4.34Å; V239-W249 HydrophobicContact CG1-CH2 3.81Å; V239-W249 HydrophobicContact CG1-CZ3 4.17Å; V239-W249 HydrophobicContact CG2-CH2 3.77Å; V239-W249 HydrophobicContact CG2-CZ3 3.86Å
240A72.5Confident77Confident67 Ų6797 Ų9755%0.55447%0.469SS*.Hα-helixtrans-64.7-50.617700000111.6R236 E237 H242 K243R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.2Å; E237-A240 PolarHBondContact O-N 3.48Å; A240-H242 PolarHBondContact O-N 3.29Å; A240-K243 PolarHBondContact O-N 2.98Å
241R66.5Low76.2Confident174 Ų17498.5 Ų98.566%0.65747%0.471SS*.Hα-helixtrans-63.2-23.9176-70.3-169.2-176.3107.78113.7E237E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 3.16Å; E237-R241 IonicContact OE1-CZ 2.7Å; E237-R241 IonicContact OE1-NH1 2.69Å; E237-R241 PolarHBondContact OE1-NH1 3.3Å; E237-R241 IonicContact OE1-NH2 3.36Å; E237-R241 PolarHBondContact OE1-NH2 3.29Å; E237-R241 IonicContact OE2-CZ 2.73Å; E237-R241 IonicContact OE2-NH1 3.1Å; E237-R241 PolarHBondContact OE2-NH1 3.4Å; E237-R241 IonicContact OE2-NH2 3.09Å
242H61.6Low75Confident52 Ų5296 Ų9624%0.24148%0.478CS..Hα-helixtrans-96.2-14.4-179.4-69.5-22.8000115R238 V239 A240 W249 R250R238-H242 VanDerWaalsContact O-CB 3.27Å; R238-H242 WeakPolarHBondContact O-CB 3.46Å; R238-H242 PolarHBondContact O-CD2 3.44Å; R238-H242 VanDerWaalsContact O-CD2 3.22Å; R238-H242 PolarHBondContact O-N 3.07Å; R238-H242 VanDerWaalsContact O-N 3.12Å; V239-H242 PolarHBondContact O-N 3.43Å; A240-H242 PolarHBondContact O-N 3.29Å; H242-W249 HydrophobicContact CB-CE3 4.19Å; H242-W249 CarbonylContact O-C 3.58Å; H242-W249 VanDerWaalsContact O-CA 3.26Å; H242-W249 WeakPolarHBondContact O-CA 3.4Å; H242-R250 WeakPolarHBondContact CA-O 3.35Å; H242-R250 PolarHBondContact ND1-O 2.93Å; H242-R250 PolarHBondContact O-N 2.81Å
243K65.9Low74Confident107 Ų10798.2 Ų98.247%0.46548%0.482SS..BIsolated β-bridgetrans-86.7109.3171.1-77175.9176.9177.20109.6V239 A240V239-K243 HydrophobicContact CG1-CD 3.96Å; V239-K243 HydrophobicContact CG1-CG 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.42Å; V239-K243 PolarHBondContact O-N 3.37Å; A240-K243 PolarHBondContact O-N 2.98Å
244N66Low73.4Confident52 Ų5293.8 Ų93.828%0.27846%0.461SS..  trans-66.8169163.970.17.6000110.5K246 G247 Q248N244-K246 PolarHBondContact O-N 2.87Å; N244-K246 WeakPolarHBondContact OD1-CA 3.49Å; N244-K246 WeakPolarHBondContact OD1-CB 3.44Å; N244-K246 PolarHBondContact OD1-N 3.35Å; N244-K246 VanDerWaalsContact OD1-N 3.13Å; N244-G247 WeakPolarHBondContact O-CA 3.26Å; N244-G247 PolarHBondContact O-N 3.39Å; N244-G247 PolarHBondContact OD1-N 2.96Å; N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 VanDerWaalsContact N-O 3.14Å; N244-Q248 PolarHBondContact ND2-OE1 3.05Å; N244-Q248 WeakPolarHBondContact OD1-CB 3.36Å; N244-Q248 PolarHBondContact OD1-N 3.06Å; N244-Q248 PolarHBondContact OD1-O 3.05Å
245A71Confident72.7Confident119 Ų11997.1 Ų97.198%0.98348%0.477SS*.THydrogen-bonded Turntrans-60.3-15.2177.900000114.2G247A245-G247 VanDerWaalsContact C-N 3.33Å
246K67.6Low71.6Confident129 Ų129100.4 Ų100.456%0.56150%0.495SS*.THydrogen-bonded Turntrans-86.34171.7-58.8175.5174.61770113.1N244 Q248 E259N244-K246 PolarHBondContact O-N 2.87Å; N244-K246 WeakPolarHBondContact OD1-CA 3.49Å; N244-K246 WeakPolarHBondContact OD1-CB 3.44Å; N244-K246 PolarHBondContact OD1-N 3.35Å; N244-K246 VanDerWaalsContact OD1-N 3.13Å; K246-Q248 VanDerWaalsContact C-N 3.26Å; K246-Q248 HydrophobicContact CB-CG 4.2Å; K246-Q248 PolarHBondContact O-N 3.02Å; K246-E259 IonicContact NZ-OE1 3.62Å; K246-E259 PolarHBondContact NZ-OE1 2.89Å; K246-E259 IonicContact NZ-OE2 2.63Å; K246-E259 PolarHBondContact NZ-OE2 2.92Å
247G72Confident71.1Confident47 Ų4796.1 Ų96.149%0.48548%0.48SS..SBendtrans73.86.8-178.800000115.6N244 A245N244-G247 WeakPolarHBondContact O-CA 3.26Å; N244-G247 PolarHBondContact O-N 3.39Å; N244-G247 PolarHBondContact OD1-N 2.96Å; A245-G247 VanDerWaalsContact C-N 3.33Å
248Q75.1Confident70.7Confident84 Ų8496.1 Ų96.139%0.39349%0.485SS..  trans-85.8144.8-177.3-56.3166.8-25.300111.3N244 K246N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 VanDerWaalsContact N-O 3.14Å; N244-Q248 PolarHBondContact ND2-OE1 3.05Å; N244-Q248 WeakPolarHBondContact OD1-CB 3.36Å; N244-Q248 PolarHBondContact OD1-N 3.06Å; N244-Q248 PolarHBondContact OD1-O 3.05Å; K246-Q248 VanDerWaalsContact C-N 3.26Å; K246-Q248 HydrophobicContact CB-CG 4.2Å; K246-Q248 PolarHBondContact O-N 3.02Å
249W74.6Confident69.9Low167 Ų16795.2 Ų95.263%0.63349%0.486SS*.BIsolated β-bridgetrans-84.8111.1178.9-61.580.1000111.3V239 H242V239-W249 HydrophobicContact CB-CH2 4.32Å; V239-W249 HydrophobicContact CB-CZ3 4.34Å; V239-W249 HydrophobicContact CG1-CH2 3.81Å; V239-W249 HydrophobicContact CG1-CZ3 4.17Å; V239-W249 HydrophobicContact CG2-CH2 3.77Å; V239-W249 HydrophobicContact CG2-CZ3 3.86Å; H242-W249 HydrophobicContact CB-CE3 4.19Å; H242-W249 CarbonylContact O-C 3.58Å; H242-W249 VanDerWaalsContact O-CA 3.26Å; H242-W249 WeakPolarHBondContact O-CA 3.4Å
250R72.1Confident69.5Low57 Ų5798.9 Ų98.922%0.21550%0.504CS..  trans-127.9135.7173.6-49.6-166.3102.1-140.91.4110.7H242 D254 M255 K257H242-R250 WeakPolarHBondContact CA-O 3.35Å; H242-R250 PolarHBondContact ND1-O 2.93Å; H242-R250 PolarHBondContact O-N 2.81Å; R250-D254 HydrophobicContact CB-CB 4.07Å; R250-D254 PolarHBondContact NH1-O 3.47Å; R250-D254 PolarHBondContact NH2-O 3.44Å; R250-M255 PolarHBondContact NH1-O 3.4Å; R250-K257 PolarHBondContact NH1-O 2.94Å; R250-K257 PolarHBondContact NH2-O 2.94Å
251R76.9Confident69.1Low136 Ų136101.8 Ų101.851%0.51351%0.508SS..  trans-85.1169.4169.6-56172.6-164.579.7-2.3110.2W253 D254 M255R251-W253 PolarHBondContact O-N 2.62Å; R251-D254 VanDerWaalsContact CB-OD2 3.25Å; R251-D254 WeakPolarHBondContact CB-OD2 3.2Å; R251-D254 WeakPolarHBondContact CG-OD2 3.49Å; R251-D254 IonicContact CZ-OD2 3.31Å; R251-D254 PolarHBondContact N-OD2 2.85Å; R251-D254 IonicContact NH1-OD2 2.94Å; R251-D254 PolarHBondContact NH1-OD2 3.36Å; R251-D254 WeakPolarHBondContact O-CA 3.47Å; R251-D254 WeakPolarHBondContact O-CB 3.34Å; R251-D254 PolarHBondContact O-N 2.96Å; R251-M255 PolarHBondContact O-N 3.44Å
252A69.3Low69Low80 Ų8099.8 Ų99.866%0.66150%0.504SS*.G310 helixtrans-52.5-50.4175.500000112.2D254 M255A252-D254 PolarHBondContact O-N 3.36Å; A252-M255 VanDerWaalsContact O-CB 3.28Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 WeakPolarHBondContact O-CG 3.45Å; A252-M255 PolarHBondContact O-N 2.91Å
253W71.1Confident68.9Low165 Ų165100 Ų10063%0.62551%0.511SS*.G310 helixtrans-73.5-1.2175.778.8-84.8000115.1R251R251-W253 PolarHBondContact O-N 2.62Å
254D76.6Confident68.2Low16 Ų16101.8 Ų101.89%0.08653%0.526CS..G310 helixtrans-87.8-10.7167.3-67.1-57.9000111.4R250 R251 A252 K257R250-D254 HydrophobicContact CB-CB 4.07Å; R250-D254 PolarHBondContact NH1-O 3.47Å; R250-D254 PolarHBondContact NH2-O 3.44Å; R251-D254 VanDerWaalsContact CB-OD2 3.25Å; R251-D254 WeakPolarHBondContact CB-OD2 3.2Å; R251-D254 WeakPolarHBondContact CG-OD2 3.49Å; R251-D254 IonicContact CZ-OD2 3.31Å; R251-D254 PolarHBondContact N-OD2 2.85Å; R251-D254 IonicContact NH1-OD2 2.94Å; R251-D254 PolarHBondContact NH1-OD2 3.36Å; R251-D254 WeakPolarHBondContact O-CA 3.47Å; R251-D254 WeakPolarHBondContact O-CB 3.34Å; R251-D254 PolarHBondContact O-N 2.96Å; A252-D254 PolarHBondContact O-N 3.36Å; D254-K257 WeakPolarHBondContact O-CB 3.43Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 IonicContact OD1-NZ 3.36Å; D254-K257 PolarHBondContact OD1-NZ 3.14Å
255M66.4Low67.5Low136 Ų136108.1 Ų108.167%0.6755%0.551SS**THydrogen-bonded Turntrans-62.9-52.8-178.2-70.2-168.964.900112.4R250 R251 A252 K257R250-M255 PolarHBondContact NH1-O 3.4Å; R251-M255 PolarHBondContact O-N 3.44Å; A252-M255 VanDerWaalsContact O-CB 3.28Å; A252-M255 WeakPolarHBondContact O-CB 3.48Å; A252-M255 WeakPolarHBondContact O-CG 3.45Å; A252-M255 PolarHBondContact O-N 2.91Å; M255-K257 CarbonylContact O-C 3.55Å; M255-K257 PolarHBondContact O-N 3.2Å
256D69Low66.6Low143 Ų143107.1 Ų107.177%0.76554%0.537SS*.THydrogen-bonded Turntrans-61.6-15.1-178.3-46.7-33000113.8T258D256-T258 PolarHBondContact O-N 2.85Å
257K71.4Confident65.7Low46 Ų46108.3 Ų108.320%0.255%0.549CS..SBendtrans-75.696.8169.4-56.6173-164.9164.80107.7R250 D254 M255 M261 F262R250-K257 PolarHBondContact NH1-O 2.94Å; R250-K257 PolarHBondContact NH2-O 2.94Å; D254-K257 WeakPolarHBondContact O-CB 3.43Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 IonicContact OD1-NZ 3.36Å; D254-K257 PolarHBondContact OD1-NZ 3.14Å; M255-K257 CarbonylContact O-C 3.55Å; M255-K257 PolarHBondContact O-N 3.2Å; K257-M261 HydrophobicContact CB-CE 3.96Å; K257-M261 HydrophobicContact CG-CE 4.08Å; K257-F262 HydrophobicContact CB-CE2 3.9Å; K257-F262 HydrophobicContact CD-CE2 4.43Å; K257-F262 HydrophobicContact CD-CZ 4.29Å
258T68.4Low64.6Low81 Ų81111.6 Ų111.650%0.49756%0.561SS.*  trans-52146.6175.356.60000111.5D256 N260 M261D256-T258 PolarHBondContact O-N 2.85Å; T258-N260 PolarHBondContact O-N 3.11Å; T258-N260 VanDerWaalsContact O-N 3.15Å; T258-M261 PolarHBondContact O-N 3.39Å
259E62.2Low63.3Low95 Ų95115.3 Ų115.344%0.44458%0.584SS.*THydrogen-bonded Turntrans-57.9-32.1-178.5-162.7163.2173.800110.9K246 M261 F262 S263K246-E259 IonicContact NZ-OE1 3.62Å; K246-E259 PolarHBondContact NZ-OE1 2.89Å; K246-E259 IonicContact NZ-OE2 2.63Å; K246-E259 PolarHBondContact NZ-OE2 2.92Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 3.3Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.49Å; E259-F262 PolarHBondContact O-N 2.93Å; E259-S263 PolarHBondContact O-N 3.14Å; E259-S263 PolarHBondContact O-OG 3.33Å; E259-S263 VanDerWaalsContact O-OG 3.07Å
260N62.5Low61.8Low123 Ų123117.4 Ų117.466%0.65859%0.592SS**Hα-helixtrans-48.2-38.9170.7-70.972.7000115.2T258 F262 S263 D264T258-N260 PolarHBondContact O-N 3.11Å; T258-N260 VanDerWaalsContact O-N 3.15Å; N260-F262 PolarHBondContact O-N 2.97Å; N260-S263 PolarHBondContact O-N 3.06Å; N260-D264 PolarHBondContact O-N 3.44Å
261M65.4Low60.3Low128 Ų128120.5 Ų120.563%0.63161%0.612SS**Hα-helixtrans-70.2-10.1178.1-69.6-151.3-65.600113.5K257 T258 E259K257-M261 HydrophobicContact CB-CE 3.96Å; K257-M261 HydrophobicContact CG-CE 4.08Å; T258-M261 PolarHBondContact O-N 3.39Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 3.3Å
262F63.1Low58.6Low133 Ų133126 Ų12658%0.58363%0.633SS**Hα-helixtrans-106.3-24.6170.2-62.1-84.5000112.4K257 E259 N260 D264K257-F262 HydrophobicContact CB-CE2 3.9Å; K257-F262 HydrophobicContact CD-CE2 4.43Å; K257-F262 HydrophobicContact CD-CZ 4.29Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.49Å; E259-F262 PolarHBondContact O-N 2.93Å; N260-F262 PolarHBondContact O-N 2.97Å; F262-D264 VanDerWaalsContact C-N 3.25Å; F262-D264 PolarHBondContact O-N 3.36Å
263S60.8Low56.9Low55 Ų55126.1 Ų126.139%0.38563%0.634SS.*Hα-helixtrans-69-15.1176.1-530000114.8E259 N260 K265 S266E259-S263 PolarHBondContact O-N 3.14Å; E259-S263 PolarHBondContact O-OG 3.33Å; E259-S263 VanDerWaalsContact O-OG 3.07Å; N260-S263 PolarHBondContact O-N 3.06Å; S263-K265 PolarHBondContact O-N 3.14Å; S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 PolarHBondContact O-OG 3.18Å; S263-S266 VanDerWaalsContact O-OG 3.13Å
264D50.3Low55.3Low145 Ų145122.9 Ų122.978%0.77564%0.642SS**THydrogen-bonded Turntrans-66.220.5-173.1-150.733.5000115.3N260 F262N260-D264 PolarHBondContact O-N 3.44Å; F262-D264 VanDerWaalsContact C-N 3.25Å; F262-D264 PolarHBondContact O-N 3.36Å
265K52.8Low53.4Low185 Ų185127.9 Ų127.980%0.80468%0.679SS**THydrogen-bonded Turntrans-139.7-3.2178.4-64.5-177.1-176.4169.60114.2S263 L267S263-K265 PolarHBondContact O-N 3.14Å; K265-L267 PolarHBondContact O-N 2.75Å
266S52Low52.4Low99 Ų99125.5 Ų125.569%0.69268%0.68SS**  trans-79.463.2166.962.30000110.1S263S263-S266 PolarHBondContact O-N 3.16Å; S263-S266 PolarHBondContact O-OG 3.18Å; S263-S266 VanDerWaalsContact O-OG 3.13Å
267L47.1Very low51Low154 Ų154130.4 Ų130.481%0.80669%0.688SS**PPolyproline II helixtrans-60.9137.5165.3-68.7173.2000108.2K265 D269K265-L267 PolarHBondContact O-N 2.75Å; L267-D269 PolarHBondContact O-N 2.93Å
268P49.6Very low49.1Very low115 Ų115132.2 Ų132.275%0.74772%0.72SS**PPolyproline II helixtrans-63.8138.6179.426.8-34000110.4R270P268-R270 PolarHBondContact O-N 2.97Å
269D47.3Very low47.6Very low162 Ų162131.9 Ų131.987%0.86673%0.732SS**PPolyproline II helixtrans-55.2127.9174-171.515000110.4L267L267-D269 PolarHBondContact O-N 2.93Å
270R43.2Very low46.8Very low212 Ų212138.2 Ų138.280%0.875%0.753SS**  trans-156.495.6173.2-176.5121.674.2156.14.1110.2P268P268-R270 PolarHBondContact O-N 2.97Å
271D41.3Very low45.8Very low122 Ų122140 Ų14065%0.65276%0.762SS**  trans4496.3142.4-46.7-46.7000116.5
272W40.1Very low44.6Very low252 Ų252138.7 Ų138.796%0.95577%0.771SS**  -163.9145.192.7-100.898.3000111.6
273A33.6Very low43.8Very low82 Ų82144.1 Ų144.168%0.67879%0.788SS**  trans-82.2163.2-168.500000114.4
274A37.3Very low42.8Very low96 Ų96153.6 Ų153.679%0.79382%0.816SS**  trans41.1130.2151.400000118.9
275S37.4Very low42Very low122 Ų122150 Ų15085%0.85381%0.813SS**  -170.3177.959.3-162.60000112.9
276A44.5Very low41.5Very low85 Ų85146.8 Ų146.870%0.70281%0.814SS**  trans-80.2176.5178.100000113.5
277R39.7Very low40.7Very low246 Ų246152.1 Ų152.193%0.92882%0.824SS**  trans90.958.4167.5-52.5-175.8175.8-154.6-0.8119.5
278G32.3Very low40Very low84 Ų84149.6 Ų149.687%0.86683%0.825SS**  62.8-160.2128.900000119.4
279G36.6Very low39.4Very low74 Ų74147.4 Ų147.476%0.76382%0.824SS**  trans109.675.6165.900000118.6
280R46.7Very low38.8Very low229 Ų229145.4 Ų145.486%0.86482%0.823SS**  trans50.1110.3142.3-58.6174.9-173.3153.22.5119.5A282R280-A282 PolarHBondContact O-N 3.21Å
281N41.6Very low38.4Very low159 Ų159144.9 Ų144.985%0.8583%0.826SS**  trans-8.8111.114145.2-92.1000118.2
282A38.2Very low38Very low101 Ų101142.3 Ų142.384%0.83583%0.829SS**  trans-103.3132164.700000111.7R280R280-A282 PolarHBondContact O-N 3.21Å
283R47.7Very low38Very low248 Ų248138.4 Ų138.494%0.93682%0.821SS**  trans-138.3146.5164-85.6-168.5173.6-141.4-0.6108.7
284R40.3Very low38.4Very low254 Ų254140.8 Ų140.896%0.95882%0.822SS**  trans89.3136.3169-171-179.4-77.1-982.1116.8
285G32.8Very low38.7Very low70 Ų70143.5 Ų143.572%0.72282%0.816SS**  trans105.1104179.500000111.7
286S41.7Very low38.8Very low117 Ų117149 Ų14982%0.81882%0.818SS**  cis88.6100.314.6-161.10000117.1
287K35.8Very low38.5Very low210 Ų210148.8 Ų148.891%0.91383%0.825SS**  trans160.2154.1156.5-91.8166.4-179.9-177.10108.3
288A32.9Very low38.7Very low101 Ų101146.4 Ų146.484%0.83582%0.821SS**  cis-166.1166.4-19.600000110.5
289G35.9Very low39.1Very low70 Ų70148.6 Ų148.672%0.72281%0.813SS**  trans118.4116.8178.300000111.7
290S34.1Very low39.6Very low120 Ų120154.7 Ų154.784%0.83982%0.818SS**  61.6121.358.2-157.40000110.6
291K35.7Very low39.1Very low200 Ų200148.5 Ų148.587%0.8782%0.816SS**  cis-161.6148.822.7-164.2173.8-179.1-179.90105.8
292G33.6Very low39.1Very low68 Ų68145.4 Ų145.470%0.70181%0.813SS**  cis116.572.720.600000111.6
293H39.7Very low40Very low170 Ų170150.2 Ų150.279%0.78782%0.815SS**  trans-158156.7157.8-162.1-101.4000112.7
294D41.2Very low40.1Very low133 Ų133146.5 Ų146.571%0.71181%0.813SS**  trans-112.8-160-169.2-143.1-67.3000111.4
295K45.1Very low40Very low152 Ų152139.9 Ų139.966%0.66180%0.801SS**  trans97.5103.2158.7-47.6-64.1179.7171.80118.8
296R38.8Very low40.4Very low237 Ų237144.9 Ų144.989%0.89481%0.81SS**  22.1121.4123.1-52.6178.2-167.3-163.40.4117.2
297G37.8Very low40.5Very low82 Ų82144.6 Ų144.685%0.84580%0.803SS**  trans-80.5-176178.800000116.3
298K44.3Very low40.8Very low196 Ų196142.9 Ų142.985%0.85280%0.801SS**  trans-148.5153.1173.4-164.662.8172.9177.60110
299D40Very low41.4Very low129 Ų129142.6 Ų142.669%0.6979%0.792SS**  trans-94.8174.1-159.2-43.2-99.2000116.4
300K47.5Very low41.9Very low203 Ų203144.2 Ų144.288%0.88379%0.793SS**  trans89.499153.3-46.7-158.2-179.1-175.60120.3
301A35.6Very low42.3Very low98 Ų98148 Ų14881%0.8179%0.794SS**  -171.281.7125.200000109.8
302A42.8Very low43Very low95 Ų95143 Ų14379%0.78579%0.79SS**  70.873.893.600000115.6
303K55.8Low43.9Very low202 Ų202149.4 Ų149.488%0.87880%0.799SS**  trans-130.7136.3142.4-70.3-169178.9-178.60107.8
304N49.8Very low44.2Very low169 Ų169144.3 Ų144.390%0.90479%0.793SS**  trans-81.7151.7-160.7-73.3-43000114
305V39.1Very low44.7Very low116 Ų116147.3 Ų147.370%0.70380%0.799SS**  trans-94.4135.8179.4162.20000109.9V307V305-V307 HydrophobicContact CG1-CB 3.54Å; V305-V307 HydrophobicContact CG1-CG2 3.34Å
306L40.6Very low45Very low174 Ų174146.5 Ų146.591%0.91180%0.802SS**  trans-102.5101.9152.4-176.564.9000107.8
307V45.2Very low46.1Very low112 Ų112144.9 Ų144.968%0.67980%0.796SS**  trans-109.6115174.9144.70000108.9V305V305-V307 HydrophobicContact CG1-CB 3.54Å; V305-V307 HydrophobicContact CG1-CG2 3.34Å
308M41.1Very low46.8Very low173 Ų173148.4 Ų148.485%0.85280%0.795SS**  trans-145.9137.2142-66.5-159.280.300107.5
309S46.7Very low47.2Very low95 Ų95144.3 Ų144.366%0.66479%0.786SS**  cis-159.1151-20.149.60000107.8
310S45.8Very low47.8Very low105 Ų105142.3 Ų142.373%0.73480%0.796SS**  trans-65.3147.4173.759.40000111.7
311K41.5Very low47.6Very low200 Ų200143.5 Ų143.587%0.8780%0.795SS**  -166.7145.5125-83.2-123.7169.4560111.1
312A51.4Low48.2Very low95 Ų95143 Ų14379%0.78579%0.79SS**  trans-87.1132178.600000112.1
313K52.2Low48.7Very low201 Ų201149.8 Ų149.887%0.87480%0.796SS**  trans-148.6137.8145.4-116.884.4166.6-173.90104.5
314G46.4Very low48.3Very low64 Ų64151.2 Ų151.266%0.6680%0.795SS**  cis89.1100.212.300000110.3
315K52Low48.2Very low195 Ų195154.7 Ų154.785%0.84880%0.796SS**  trans70.174.7169.7-159.6164.9-179.3175.50115.8
316D51.6Low48.4Very low136 Ų136156.9 Ų156.973%0.72780%0.799SS**  -98.999.5129.8-171.48.6000109
317R61.3Low48.3Very low202 Ų202156.2 Ų156.276%0.76280%0.796SS**  trans-140.5114.4161-82-173.765.9113.7-1.3105.2
318L52.7Low48.5Very low157 Ų157156.6 Ų156.682%0.82279%0.794SS**  trans64.180.4-179.5-53.4112.1000114.6
319T51.8Low48.7Very low110 Ų110156.3 Ų156.368%0.67580%0.796SS**  -99.3126.9120.656.60000108.4R321T319-R321 PolarHBondContact O-N 3.01Å
320G53.3Low48.3Very low86 Ų86158 Ų15889%0.88780%0.798SS**  trans-7642.3-179.700000113A322G320-A322 PolarHBondContact O-N 3.27Å; G320-A322 VanDerWaalsContact O-N 3.13Å
321R42.9Very low48.7Very low229 Ų229156.6 Ų156.686%0.86480%0.799SS**  trans-76.3104180-159.1173.1-162.6173.44.6107.9T319 R323T319-R321 PolarHBondContact O-N 3.01Å; R321-R323 PolarHBondContact O-N 3.4Å
322A49.2Very low49.2Very low86 Ų86156.6 Ų156.671%0.71180%0.803SS**  trans-48.3125.9-177.600000110.7G320 R324G320-A322 PolarHBondContact O-N 3.27Å; G320-A322 VanDerWaalsContact O-N 3.13Å; A322-R324 PolarHBondContact O-N 3.13Å
323R53.1Low48.7Very low238 Ų238158 Ų15890%0.89880%0.797SS**  trans-62.1110.1162.2-71179.4179.9-95.9-2.1105.6R321 W325R321-R323 PolarHBondContact O-N 3.4Å; R323-W325 PolarHBondContact O-N 2.86Å
324R46.3Very low48.5Very low232 Ų232152.9 Ų152.988%0.87578%0.783SS**PPolyproline II helixtrans-57.9128.8161.2-67.9-179.6174.9-840.1105.7A322 Q326A322-R324 PolarHBondContact O-N 3.13Å; R324-Q326 PolarHBondContact O-N 3.33Å
325W47.2Very low48.5Very low243 Ų243157.4 Ų157.492%0.9279%0.787SS**PPolyproline II helixtrans-57.8129.4162.2-70.485.8000106.5R323R323-W325 PolarHBondContact O-N 2.86Å
326Q43.3Very low48.1Very low162 Ų162152.4 Ų152.476%0.75777%0.772SS**PPolyproline II helixtrans-80.6139.6160.1-72179.7-99.800106.3R324 N328R324-Q326 PolarHBondContact O-N 3.33Å; Q326-N328 VanDerWaalsContact C-N 3.34Å; Q326-N328 PolarHBondContact O-N 2.89Å
327D40.2Very low48Very low159 Ų159148.8 Ų148.885%0.8576%0.761SS**  trans-69.698.9162.2-53.2-65.9000106.6D329D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.89Å
328N47.8Very low47.4Very low121 Ų121143 Ų14365%0.64775%0.746SS**  trans-80.987.3168-76.617.5000107.1Q326 D330Q326-N328 VanDerWaalsContact C-N 3.34Å; Q326-N328 PolarHBondContact O-N 2.89Å; N328-D330 PolarHBondContact O-N 3.34Å
329D46.2Very low47.5Very low166 Ų166139.8 Ų139.889%0.88873%0.733SS**  trans-83.259175.1-149.1-3.9000109.4D327D327-D329 VanDerWaalsContact C-N 3.32Å; D327-D329 PolarHBondContact O-N 2.89Å
330D38.7Very low48.2Very low132 Ų132138.8 Ų138.871%0.70673%0.726SS**  trans-112.3125.6178.3-63.3-64.6000108.2N328N328-D330 PolarHBondContact O-N 3.34Å
331G52.8Low48.9Very low74 Ų74139.7 Ų139.776%0.76371%0.71SS**  trans-80.1-166.9-16800000116.7
332E53.3Low50.4Low201 Ų201135 Ų13594%0.93970%0.699SS**  trans74.249.8167.9-55.3-177.4-155.200117.4
333N39.9Very low51.6Low125 Ų125137.4 Ų137.467%0.66870%0.695SS**  trans-145.946.7156.2-156.2101.4000114T336N333-T336 PolarHBondContact ND2-OG1 3.3Å
334T47.8Very low52.7Low93 Ų93131.2 Ų131.257%0.57168%0.675SS**SBendtrans-89.8-43.516957.20000112.3T336 A337 D338T334-T336 PolarHBondContact O-N 3.5Å; T334-A337 WeakPolarHBondContact O-CA 3.44Å; T334-A337 WeakPolarHBondContact O-CB 3.19Å; T334-A337 PolarHBondContact O-N 3.46Å; T334-D338 VanDerWaalsContact CB-OD2 3.29Å; T334-D338 WeakPolarHBondContact CB-OD2 3.31Å; T334-D338 VanDerWaalsContact O-CG 3.23Å; T334-D338 PolarHBondContact O-N 2.92Å; T334-D338 PolarHBondContact OG1-OD2 3.46Å
335Q48Very low54.4Low158 Ų158124.4 Ų124.474%0.73866%0.655SS**Hα-helixtrans-51.9-33.6-168.8-70.2-176.7-2300115.4D338 T339Q335-D338 WeakPolarHBondContact CA-OD2 3.44Å; Q335-D338 PolarHBondContact N-OD2 3.04Å; Q335-T339 WeakPolarHBondContact O-CG2 3.5Å; Q335-T339 PolarHBondContact O-N 2.89Å; Q335-T339 PolarHBondContact O-OG1 2.63Å
336T42.3Very low55.8Low90 Ų90120 Ų12055%0.55265%0.645SS**Hα-helixtrans-78.6-18.3178.361.70000114.2N333 T334 T339N333-T336 PolarHBondContact ND2-OG1 3.3Å; T334-T336 PolarHBondContact O-N 3.5Å; T336-T339 PolarHBondContact O-OG1 2.72Å
337A49.8Very low57.4Low60 Ų60118 Ų11850%0.49664%0.636SS.*Hα-helixtrans-88.1-38.6171.500000110.4T334 T339 T340 L341T334-A337 WeakPolarHBondContact O-CA 3.44Å; T334-A337 WeakPolarHBondContact O-CB 3.19Å; T334-A337 PolarHBondContact O-N 3.46Å; A337-T339 PolarHBondContact O-N 2.81Å; A337-T340 PolarHBondContact O-N 2.66Å; A337-L341 PolarHBondContact O-N 3.03Å; A337-L341 VanDerWaalsContact O-N 3.16Å
338D48Very low59.1Low82 Ų82114 Ų11444%0.43961%0.613SS.*Hα-helixtrans-58.9-46.5177.8-53.7-31.3000110.6T334 Q335 T340 L341 E342T334-D338 VanDerWaalsContact CB-OD2 3.29Å; T334-D338 WeakPolarHBondContact CB-OD2 3.31Å; T334-D338 VanDerWaalsContact O-CG 3.23Å; T334-D338 PolarHBondContact O-N 2.92Å; T334-D338 PolarHBondContact OG1-OD2 3.46Å; Q335-D338 WeakPolarHBondContact CA-OD2 3.44Å; Q335-D338 PolarHBondContact N-OD2 3.04Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 3.39Å; D338-L341 PolarHBondContact O-N 2.97Å; D338-L341 VanDerWaalsContact O-N 3.11Å; D338-E342 PolarHBondContact O-N 3.33Å
339T55.1Low60.3Low89 Ų89114.1 Ų114.155%0.54661%0.614SS.*Hα-helixtrans-60-35.7178.348.60000114.6Q335 T336 A337 E343Q335-T339 WeakPolarHBondContact O-CG2 3.5Å; Q335-T339 PolarHBondContact O-N 2.89Å; Q335-T339 PolarHBondContact O-OG1 2.63Å; T336-T339 PolarHBondContact O-OG1 2.72Å; A337-T339 PolarHBondContact O-N 2.81Å; T339-E343 WeakPolarHBondContact O-CB 3.36Å; T339-E343 PolarHBondContact O-N 3.09Å
340T66.8Low61.6Low88 Ų88109.3 Ų109.354%0.5460%0.598SS.*Hα-helixtrans-80.4-20.9179.2-61.90000112.1A337 D338 F344A337-T340 PolarHBondContact O-N 2.66Å; D338-T340 VanDerWaalsContact C-N 3.33Å; D338-T340 PolarHBondContact O-N 3.39Å; T340-F344 WeakPolarHBondContact O-CB 3.46Å; T340-F344 PolarHBondContact O-N 2.96Å
341L67.8Low62.5Low105 Ų105108.2 Ų108.255%0.5559%0.591SS.*Hα-helixtrans-78.8-38169.7-174.860000111.3A337 D338 F344 L345A337-L341 PolarHBondContact O-N 3.03Å; A337-L341 VanDerWaalsContact O-N 3.16Å; D338-L341 PolarHBondContact O-N 2.97Å; D338-L341 VanDerWaalsContact O-N 3.11Å; L341-F344 PolarHBondContact O-N 3.21Å; L341-L345 HydrophobicContact CG-CD1 4.18Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.93Å
342E73.9Confident62.6Low132 Ų132108.6 Ų108.662%0.61758%0.579SS**Hα-helixtrans-61.5-49.3174.3-153.877.1-175.800111.1D338 F344 L345 E346D338-E342 PolarHBondContact O-N 3.33Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.34Å; E342-L345 PolarHBondContact O-N 3.49Å; E342-E346 PolarHBondContact O-N 3.39Å
343E75.2Confident62.7Low135 Ų135105.3 Ų105.363%0.63157%0.568SS**Hα-helixtrans-57.6-38.3176.6-174.7176.2-159.500112.2T339 E347T339-E343 WeakPolarHBondContact O-CB 3.36Å; T339-E343 PolarHBondContact O-N 3.09Å; E343-E347 PolarHBondContact O-N 2.82Å; E343-E347 VanDerWaalsContact O-N 3.14Å
344F76.4Confident63.5Low109 Ų109103 Ų10348%0.47857%0.566SS.*Hα-helixtrans-74.6-29.9176.1180-105.5000113.4T340 L341 E342 L348T340-F344 WeakPolarHBondContact O-CB 3.46Å; T340-F344 PolarHBondContact O-N 2.96Å; L341-F344 PolarHBondContact O-N 3.21Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.34Å; F344-L348 HydrophobicContact CD1-CD1 4.49Å; F344-L348 HydrophobicContact CE1-CD1 3.81Å; F344-L348 HydrophobicContact CE1-CG 4.44Å; F344-L348 HydrophobicContact CZ-CD1 3.88Å; F344-L348 HydrophobicContact CZ-CG 4.29Å; F344-L348 WeakPolarHBondContact O-CG 3.47Å; F344-L348 PolarHBondContact O-N 2.94Å
345L81.2Confident63.4Low89 Ų89103.9 Ų103.947%0.46657%0.567SS.*Hα-helixtrans-71.5-42.3173.7-74.7163.3000110.9L341 E342 E347 L348 D349L341-L345 HydrophobicContact CG-CD1 4.18Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.93Å; E342-L345 PolarHBondContact O-N 3.49Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 3.25Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L348 VanDerWaalsContact O-N 3.14Å; L345-D349 PolarHBondContact O-N 2.93Å
346E77.1Confident63.4Low151 Ų151103.4 Ų103.471%0.70657%0.565SS**Hα-helixtrans-64.7-34.4176.9-163.1168-141.300112E342 A350E342-E346 PolarHBondContact O-N 3.39Å; E346-A350 WeakPolarHBondContact O-CB 3.44Å; E346-A350 PolarHBondContact O-N 3.21Å; E346-A350 VanDerWaalsContact O-N 3.16Å
347E76.9Confident63.5Low120 Ų120102.7 Ų102.756%0.56158%0.576SS**Hα-helixtrans-64-37.3171.3-172.7175.1-151.800112.8E343 L345 L351E343-E347 PolarHBondContact O-N 2.82Å; E343-E347 VanDerWaalsContact O-N 3.14Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 3.25Å; E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.17Å
348L75.1Confident63Low73 Ų73106.7 Ų106.738%0.38259%0.589SS.*Hα-helixtrans-78-34.3179.8-67.6-171.1000113.7F344 L345 L351 T352F344-L348 HydrophobicContact CD1-CD1 4.49Å; F344-L348 HydrophobicContact CE1-CD1 3.81Å; F344-L348 HydrophobicContact CE1-CG 4.44Å; F344-L348 HydrophobicContact CZ-CD1 3.88Å; F344-L348 HydrophobicContact CZ-CG 4.29Å; F344-L348 WeakPolarHBondContact O-CG 3.47Å; F344-L348 PolarHBondContact O-N 2.94Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L348 VanDerWaalsContact O-N 3.14Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L348-L351 PolarHBondContact O-N 3.38Å; L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 VanDerWaalsContact O-N 3.09Å; L348-T352 PolarHBondContact O-OG1 2.98Å
349D75.1Confident62.9Low124 Ų124110.2 Ų110.266%0.66361%0.606SS**Hα-helixtrans-65.4-43.1172.4-89.37.7000110.3L345 L351 T352 D353L345-D349 PolarHBondContact O-N 2.93Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3.5Å; D349-T352 WeakPolarHBondContact O-CA 3.36Å; D349-T352 WeakPolarHBondContact O-CB 3.32Å; D349-T352 PolarHBondContact O-N 2.96Å; D349-D353 PolarHBondContact O-N 3.42Å
350A73Confident62.3Low65 Ų65114.9 Ų114.954%0.53762%0.619SS.*Hα-helixtrans-60.9-35.2175.200000113.4E346 T352 A354E346-A350 WeakPolarHBondContact O-CB 3.44Å; E346-A350 PolarHBondContact O-N 3.21Å; E346-A350 VanDerWaalsContact O-N 3.16Å; A350-T352 VanDerWaalsContact C-N 3.32Å; A350-A354 WeakPolarHBondContact O-CB 3.49Å; A350-A354 PolarHBondContact O-N 3.32Å
351L56.9Low61Low110 Ų110118 Ų11858%0.57663%0.632SS**Hα-helixtrans-71.2-24.6172.6-83.4163.6000113.4E347 L348 D349E347-L351 HydrophobicContact CG-CD1 4.42Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.17Å; L348-L351 HydrophobicContact CD2-CD1 4.17Å; L348-L351 PolarHBondContact O-N 3.38Å; D349-L351 VanDerWaalsContact C-N 3.3Å; D349-L351 PolarHBondContact O-N 3.5Å
352T56Low59.6Low81 Ų81122.3 Ų122.350%0.49765%0.65SS.*Hα-helixtrans-82.4-45.3179.6-56.40000111.1L348 D349 A350 A354 N355 E356L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 VanDerWaalsContact O-N 3.09Å; L348-T352 PolarHBondContact O-OG1 2.98Å; D349-T352 WeakPolarHBondContact O-CA 3.36Å; D349-T352 WeakPolarHBondContact O-CB 3.32Å; D349-T352 PolarHBondContact O-N 2.96Å; A350-T352 VanDerWaalsContact C-N 3.32Å; T352-A354 VanDerWaalsContact C-N 3.28Å; T352-A354 PolarHBondContact O-N 2.84Å; T352-N355 WeakPolarHBondContact O-CB 3.05Å; T352-N355 PolarHBondContact O-N 3.35Å; T352-E356 PolarHBondContact O-N 3.44Å
353D53.9Low57.8Low133 Ų133123.4 Ų123.471%0.71166%0.66SS**Hα-helixtrans-60.9-37.4178.3-141.714.2000111.4D349 N355D349-D353 PolarHBondContact O-N 3.42Å; D353-N355 PolarHBondContact O-N 3.14Å
354A56.2Low55.9Low77 Ų77122.6 Ų122.664%0.63667%0.669SS**Hα-helixtrans-64.7-18.2174.400000114.6A350 T352A350-A354 WeakPolarHBondContact O-CB 3.49Å; A350-A354 PolarHBondContact O-N 3.32Å; T352-A354 VanDerWaalsContact C-N 3.28Å; T352-A354 PolarHBondContact O-N 2.84Å
355N45.8Very low53.8Low110 Ų110127.5 Ų127.559%0.58869%0.69SS**Hα-helixtrans-95.2-28.5-176.9-176.768.9000113.3T352 D353 G357T352-N355 WeakPolarHBondContact O-CB 3.05Å; T352-N355 PolarHBondContact O-N 3.35Å; D353-N355 PolarHBondContact O-N 3.14Å; N355-G357 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.25Å
356E48.4Very low51.5Low149 Ų149127.8 Ų127.870%0.69671%0.705SS**Hα-helixtrans-69.7-26.8177.8-61.9-145150.800112.9T352 N358T352-E356 PolarHBondContact O-N 3.44Å; E356-N358 PolarHBondContact O-N 3.08Å; E356-N358 VanDerWaalsContact O-N 3.14Å
357G45.8Very low49.6Very low75 Ų75128.6 Ų128.677%0.77371%0.706SS**THydrogen-bonded Turntrans-67.7-7-179.600000116.5N355N355-G357 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.25Å
358N39.2Very low47.7Very low144 Ų144129 Ų12977%0.7772%0.72SS**THydrogen-bonded Turntrans-116.116.8-169.4-159.717.1000114.9E356E356-N358 PolarHBondContact O-N 3.08Å; E356-N358 VanDerWaalsContact O-N 3.14Å
359L44.6Very low45.5Very low155 Ų155131 Ų13181%0.81273%0.731SS**SBendtrans-12517.3-176.9-88.7165.3000114.5
360K42Very low44.2Very low188 Ų188130 Ų13082%0.81773%0.731SS**SBendtrans-149.868.3-171.4-156.6166.8-171.6171.90114.5
361D40.2Very low42.1Very low152 Ų152134.2 Ų134.281%0.81374%0.743SS**  trans-176.175.5150.3-98.9-14.8000111.9
362Q39.7Very low40.8Very low196 Ų196135 Ų13592%0.91676%0.759SS**  trans-151.361.7163.3-76.1-50.7-45.400112
363D34.9Very low39.6Very low156 Ų156135.5 Ų135.583%0.83477%0.771SS**  trans-146.481.3159.4-167.15.1000111.7
364S36.1Very low39Very low117 Ų117135.5 Ų135.582%0.81878%0.778SS**  trans174.8104.2149.837.20000112.5
365K32.7Very low37.8Very low213 Ų213140.5 Ų140.593%0.92679%0.788SS**  trans-151130.2152.2-154.1160.7-172.7171.30112.6
366A32.4Very low37Very low94 Ų94142.5 Ų142.578%0.77780%0.799SS**  trans-89.5170.4-178.700000113.1
367K35.9Very low36.4Very low168 Ų168140.2 Ų140.273%0.7380%0.799SS**  trans-27.3154176-70.5-170.2163.6-159.30117.6D369K367-D369 WeakPolarHBondContact CD-OD2 3.23Å; K367-D369 WeakPolarHBondContact CE-OD2 3.42Å; K367-D369 IonicContact NZ-OD2 2.77Å; K367-D369 PolarHBondContact NZ-OD2 3.06Å
368P37.9Very low35.6Very low129 Ų129143.9 Ų143.984%0.83880%0.801SS**  -123.1160.210436.7-34.6000115.1
369D28.5Very low35.3Very low115 Ų115140.8 Ų140.862%0.61579%0.791SS**  trans-120171.5167.2-90.4-56.1000107.4K367K367-D369 WeakPolarHBondContact CD-OD2 3.23Å; K367-D369 WeakPolarHBondContact CE-OD2 3.42Å; K367-D369 IonicContact NZ-OD2 2.77Å; K367-D369 PolarHBondContact NZ-OD2 3.06Å
370P48.8Very low34.8Very low102 Ų102140.6 Ų140.666%0.66279%0.79SS**  cis-133.5-160.6-10.723.62.3000112.8
371L28.2Very low34.5Very low154 Ų154141.6 Ų141.681%0.80679%0.794SS**  trans85.4103.9155.8-50.5-179.5000118.9
372S30.3Very low34.2Very low128 Ų128143.2 Ų143.290%0.89580%0.797SS**  -166.9135.1111.2-78.20000111.7
373A30Very low34Very low91 Ų91139.7 Ų139.775%0.75278%0.784SS**  trans-128.2158.4159.400000106.7
374P41.4Very low33.9Very low132 Ų132140 Ų14086%0.85778%0.778SS**  -135.9169.182.837.6-25000114.4
375E30Very low33.7Very low183 Ų183140.2 Ų140.286%0.85577%0.774SS**  trans-95.7167.9169.9-53.3-176.2140.900110.4
376D31Very low33.7Very low151 Ų151136.3 Ų136.381%0.80777%0.768SS**  trans-152.4121.4146.3-133.5-37000112.7
377S35Very low33.8Very low101 Ų101139.8 Ų139.871%0.70677%0.768SS**  trans40.5132.5148.1-520000120.7
378D29.6Very low33.6Very low153 Ų153142.6 Ų142.682%0.81877%0.774SS**  -169.5155.958.3-168.226.7000116.3
379S31.6Very low33.4Very low78 Ų78146.7 Ų146.755%0.54578%0.779SS.*  trans49.6110.3150.1-1520000125.8
380L34Very low33.7Very low152 Ų152146 Ų14680%0.79679%0.789SS**  55.2119.5129.5-60.8177000123.5
381K37.1Very low32.9Very low208 Ų208145.5 Ų145.590%0.90479%0.794SS**  -176.6163.3104-100.5168.7-174.11730114.4
382E33.3Very low33.2Very low186 Ų186144.3 Ų144.387%0.86979%0.793SS**  trans-111.1157.4-168.6-57.7170.498.800115.5
383D35.7Very low33.6Very low122 Ų122143.4 Ų143.465%0.65279%0.787SS**  118.9141.4124.9-149.619.4000120.9
384K33.2Very low34.2Very low162 Ų162144.5 Ų144.570%0.70479%0.786SS**  trans71.6106.9159.1-88.9158.9-164.31310124.9
385V31.4Very low34.3Very low122 Ų122144.5 Ų144.574%0.73979%0.786SS**  61.3115.5112.9171.50000117.2
386T33.1Very low34.8Very low131 Ų131147.3 Ų147.380%0.80479%0.789SS**  -162148.672.1-49.20000112.6
387Q34Very low35Very low167 Ų167143.8 Ų143.878%0.7879%0.788SS**  trans-85.9148.5170.6-65.3-176.4-8.500113
388R31.3Very low35.3Very low227 Ų227147.3 Ų147.386%0.85780%0.798SS**  174.9148.3102.5-96.9176.2178.9-179.90.2116.2
389K33.7Very low36Very low216 Ų216148.5 Ų148.594%0.93980%0.799SS**  trans79.3137.4154.8-143.2170.5-174.7-179.40116.7
390A34.2Very low37.4Very low100 Ų100154.7 Ų154.783%0.82682%0.816SS**  trans-123149.9-169.500000112.5
391A32.8Very low38.3Very low92 Ų92155.6 Ų155.676%0.7681%0.813SS**  trans-162.6116.6154.700000111.9
392T34.5Very low38.7Very low129 Ų129151.9 Ų151.979%0.79181%0.808SS**  trans51.6107.6134.9-45.60000121.7
393S39.3Very low39.2Very low109 Ų109153.5 Ų153.576%0.76281%0.806SS**  trans80.1153.8141.977.80000121.1
394P41.4Very low39.2Very low114 Ų114157.5 Ų157.574%0.7482%0.818SS**PPolyproline II helixtrans-101.9158.6-172.839.4-34.6000114.7
395P44.9Very low39.9Very low131 Ų131155.2 Ų155.285%0.85182%0.822SS**PPolyproline II helixtrans-77.4136.917731.3-34.4000113.2
396R38.7Very low40.5Very low243 Ų243158.5 Ų158.592%0.91783%0.829SS**PPolyproline II helixtrans-88.1162.8166.6-92.9179.5164.9170.7-5.8111.4
397G36.6Very low40.8Very low76 Ų76160.7 Ų160.778%0.78483%0.831SS**PPolyproline II helixtrans-66.1168.8-178.900000115.4
398L40.7Very low41.2Very low175 Ų175160.8 Ų160.892%0.91684%0.836SS**PPolyproline II helixtrans-102117.5-171.6-67168.5000112.5
399E45.5Very low41.5Very low178 Ų178158 Ų15883%0.83284%0.836SS**  trans-112.5133.7166.6-69.2-175.9171.900110.9
400K60.2Low41.7Very low209 Ų209156.8 Ų156.891%0.90983%0.834SS**  trans-93104.5-174.7-66.4178.7-178.1175.40111.1
401K53.4Low41.3Very low171 Ų171163.7 Ų163.774%0.74384%0.838SS**  trans-100.899.8174.5-58.1-176.275159.70110.5
402V43.8Very low41.3Very low129 Ų129163.5 Ų163.578%0.78284%0.837SS**  trans-70.2126.9170178.40000108.6
403R45.2Very low42Very low220 Ų220163.1 Ų163.183%0.8384%0.837SS**  trans-104.6130.3171.7-68.3-179.9171.892.5-9.6108.7
404F36Very low41.6Very low206 Ų206162 Ų16290%0.90483%0.834SS**  trans-87.5139.8154.8-92.9-94.1000108.5
405S46.3Very low41.4Very low115 Ų115166 Ų16680%0.80484%0.839SS**  trans-91.7131.5-176.648.70000111.7
406E44.3Very low41.2Very low190 Ų190168.8 Ų168.889%0.88884%0.841SS**  trans-78176.4162.5-164.1168.8168.800110.3
407E41Very low40.7Very low177 Ų177163.9 Ų163.983%0.82784%0.838SS**  trans67.294.6170.3-166.7177.5-157.500118.1
408L41.7Very low40.5Very low169 Ų169165.8 Ų165.889%0.88584%0.835SS**  trans-161.874140.9-161.570.4000114
409I36.8Very low40Very low170 Ų170164.3 Ų164.387%0.87283%0.833SS**  trans-137.194.5163.8-52.6-179.9000111.2
410Q37.5Very low39.1Very low189 Ų189161.3 Ų161.388%0.88383%0.832SS**  trans-143.8155.9153.2-73-16129.100110.5
411R27.7Very low38Very low246 Ų246158.3 Ų158.393%0.92883%0.825SS**  trans85.3109168.8-157.1171.1-165.8152.34.1117.7
412A33Very low37Very low87 Ų87159.7 Ų159.772%0.71983%0.834SS**  trans-78.7169.5161.800000111.7
413P47.6Very low36.5Very low122 Ų122158.7 Ų158.779%0.79283%0.833SS**  -148.2153.1104.838.6-23.6000117.7
414A31.3Very low35.8Very low85 Ų85153.1 Ų153.170%0.70283%0.834SS**  trans45.9110.9139.900000123
415K37.6Very low35.6Very low198 Ų198147.6 Ų147.686%0.86183%0.826SS**  48118.3123.7-59.1179.1-179.4-178.90120.1
416Q40Very low35.9Very low189 Ų189148 Ų14888%0.88383%0.826SS**  -155.7134.2117.7-112.8168.76200111.2
417T29.1Very low35.3Very low140 Ų140147.3 Ų147.386%0.85982%0.823SS**  trans-143.7129.5174.436.50000109.1
418T32.6Very low35Very low116 Ų116144.7 Ų144.771%0.71282%0.819SS**  trans-145.6123-175.849.30000111.8
419T29.4Very low34.8Very low144 Ų144146.5 Ų146.588%0.88382%0.82SS**  trans62.3151.9162.959.70000117.5
420S27.3Very low34.5Very low116 Ų116141.7 Ų141.781%0.81181%0.813SS**  cis-135.6166.63.9-159.70000112.4
421L37.1Very low34.3Very low146 Ų146138.3 Ų138.376%0.76481%0.809SS**  trans-93.3155.9175.5-67.4165000111.1
422H32.1Very low34.7Very low199 Ų199133 Ų13392%0.92180%0.799SS**  trans-150.5143.8135.9-107.2-76.4000110.5
423S33.3Very low34.7Very low108 Ų108137.9 Ų137.976%0.75580%0.804SS**  trans-110.3149.7-167.6-480000112.8
424A30.2Very low33.9Very low103 Ų103135.9 Ų135.985%0.85180%0.798SS**  trans-169.7144.3134.100000111.6
425A32.8Very low33.9Very low91 Ų91137.4 Ų137.475%0.75280%0.803SS**  trans-118.2174.9159.700000108.3
426P51.3Low33.7Very low122 Ų122133.3 Ų133.379%0.79280%0.8SS**  -144.8151.898.236.8-21.6000116.9
427E32.2Very low34.3Very low176 Ų176129.4 Ų129.482%0.82279%0.79SS**  trans9.5137.5151.4-47.7-165.7118.700122.1
428T34.6Very low34.5Very low122 Ų122131.4 Ų131.475%0.74879%0.787SS**  -168.1135.6101.318.40000114.3
429K37.5Very low34.5Very low207 Ų207133.4 Ų133.490%0.979%0.788SS**  trans26.8128.1147.7-54172.9-173.7176.80119.3
430G30Very low34.6Very low70 Ų70130.7 Ų130.772%0.72278%0.775SS**  cis152.2170.3-1.600000112.5
431S33.4Very low34.7Very low117 Ų117133.5 Ų133.582%0.81878%0.775SS**  trans59.4143163.8-64.20000120.5
432L35.6Very low34.5Very low134 Ų134131.8 Ų131.870%0.70277%0.77SS**  cis-168.6141.5-7.4-104.4170.2000109.5
433K33.6Very low34.4Very low191 Ų191131.2 Ų131.283%0.8377%0.768SS**  trans62158.8148.2-70.9172.6176.5176.60120.2
434A31.5Very low34.2Very low80 Ų80136.9 Ų136.966%0.66177%0.773SS**  cis-171.2177-23.700000112.1
435S31.5Very low35.3Very low116 Ų116137 Ų13781%0.81177%0.765SS**  trans70.4114.6150.954.50000122.4
436S33Very low36.4Very low113 Ų113137.5 Ų137.579%0.7976%0.761SS**  trans-80.8-155.2147.7-390000109.8
437P51.8Low35.3Very low106 Ų106139.5 Ų139.569%0.68876%0.764SS**  cis-143.2-167.6-5.628.9-1.8000116.6
438K34.1Very low35.2Very low182 Ų182135.5 Ų135.579%0.79176%0.761SS**  trans85157.7159.3-50.6-166.6-178.3-1750117
439H32.5Very low34.7Very low159 Ų159136 Ų13674%0.73677%0.768SS**  cis-143176.116.8-145.8-86.4000114.6
440S31.2Very low34.2Very low86 Ų86129.1 Ų129.160%0.60176%0.756SS**  trans-19147.9172.852.80000120.3
441E29.8Very low34.4Very low175 Ų175131 Ų13182%0.81876%0.758SS**  cis105.7114.824.4-171.6-175.2160.500115.1
442V32.4Very low34.3Very low110 Ų110129.7 Ų129.767%0.66775%0.754SS**  trans85.1141.8147.4163.30000124.4
443Q30.4Very low34.2Very low187 Ų187130.3 Ų130.387%0.87475%0.753SS**  trans91.2157.3157.1-96.3159.664.800122.8
444R29.8Very low34.2Very low227 Ų227129.5 Ų129.586%0.85775%0.753SS**  trans-171169.4-154.5-166.1-143.2-87.5178.4-7.5108.1
445P51.7Low34.2Very low105 Ų105131.6 Ų131.668%0.68275%0.753SS**  -101.1-136-77.140.9-22.9000109.1
446P55.8Low34.2Very low103 Ų103133 Ų13367%0.66975%0.751SS**  cis-129.7180-29.632-11.6000114.7
447L30Very low34.1Very low163 Ų163132.3 Ų132.385%0.85375%0.747SS**  148151128.6-79.1177.3000116.4
448A29.5Very low33.2Very low93 Ų93132.2 Ų132.277%0.76975%0.748SS**  trans70.4153.3153.700000119.3
449C24.2Very low33.4Very low133 Ų133128.1 Ų128.190%0.89974%0.743SS**  cis-158.3172.3-2.8-1360000114.1
450G26.9Very low33.5Very low62 Ų62129 Ų12964%0.63975%0.747SS**  trans118.4108.6169.500000113.3
451S34.2Very low33.4Very low109 Ų109130 Ų13076%0.76275%0.746SS**  71.1136.758.4-56.10000113
452A31.4Very low33.8Very low89 Ų89129.9 Ų129.974%0.73674%0.742SS**  cis-164.1171.17.600000111.7
453E33.2Very low33.7Very low147 Ų147128.4 Ų128.469%0.68775%0.749SS**  cis-165175.7-32.3-75.5-24.1-29.400106.9
454Q33.5Very low33.8Very low174 Ų174123.7 Ų123.781%0.81375%0.751SS**  trans71.9152.9167.2-56.1-157.5-90.800120.8
455D30.7Very low33.7Very low124 Ų124116.5 Ų116.566%0.66375%0.748SS**  cis-168.9151.4-31.5-95.3-21.4000111.2
456D31.9Very low33.1Very low145 Ų145119.9 Ų119.978%0.77576%0.759SS**  trans48.3158.5152.9-105.1-88.6000122.7
457S30.1Very low32.6Very low100 Ų100120.9 Ų120.970%0.69977%0.766SS**  cis-146.3141.43.5-64.50000114.7
458S34.4Very low32.8Very low104 Ų104118 Ų11873%0.72776%0.759SS**  trans14.4127.7137.5-147.10000125.5
459S37.6Very low33.6Very low96 Ų96119.3 Ų119.367%0.67176%0.76SS**  71.6131.3127.2-58.50000126.8
460Q33.9Very low34.8Very low176 Ų176118.1 Ų118.182%0.82275%0.751SS**  trans58156.9147.7-62.7-171.9-113.700119.3
461D30.5Very low35.1Very low109 Ų109121.7 Ų121.758%0.58376%0.76SS**  cis-151.5-137.420.5-159.328.8000114.3
462K38.2Very low35Very low171 Ų171120.6 Ų120.674%0.74376%0.757SS**  trans-65.2164.8-165.9-42.5-59.7-179.4-99.40116.5
463G30.1Very low34.9Very low79 Ų79123.3 Ų123.381%0.81476%0.755SS**  145.4113.8126.500000115.8
464G32.3Very low35Very low88 Ų88123.2 Ų123.291%0.90775%0.754SS**  trans-89.2160.4174.500000113.7
465G28.7Very low35Very low77 Ų77123.3 Ų123.379%0.79476%0.755SS**  trans164.9118170.900000113.2
466L38.1Very low34.8Very low176 Ų176122.3 Ų122.392%0.92176%0.764SS**  trans-80.5154.5163.7-63.8172.1000109.2
467P45.1Very low34.9Very low124 Ų124120.7 Ų120.781%0.80576%0.764SS**  -143.3-179.910037.2-21.7000115.9
468S35.3Very low34.9Very low102 Ų102125.1 Ų125.171%0.71377%0.77SS**  trans-58.5176.6-176.554.70000117.1
469P44.5Very low34.7Very low121 Ų121125.5 Ų125.579%0.78677%0.768SS**  -142.2-162.59949.3-34.6000111.7
470P50.2Low34.2Very low108 Ų108127.9 Ų127.970%0.70177%0.769SS**  -145.2-175.7-120.139.2-13.5000119.5
471V32.7Very low33.9Very low137 Ų137125.8 Ų125.883%0.8376%0.763SS**  trans82.9146.1143.7150.20000121.7
472A31.7Very low33.7Very low86 Ų86126.5 Ų126.571%0.71177%0.771SS**  trans83.3142.2162.100000120.2
473Q31.3Very low33.2Very low145 Ų145123.8 Ų123.868%0.67877%0.769SS**  cis-168.9121-21174.2171-30.900112
474Q34.2Very low33.3Very low145 Ų145128.6 Ų128.668%0.67877%0.768SS**  trans60166.1154.5-65.8164.3-300118.1
475Q32.5Very low33Very low176 Ų176131.8 Ų131.882%0.82276%0.764SS**  cis-149.8-179-25.3-116.4167.7-5.700109.6
476A27.8Very low32.9Very low103 Ų103133 Ų13385%0.85176%0.756SS**  trans-134.1159-165.500000116
477S33Very low32.5Very low111 Ų111129.4 Ų129.478%0.77675%0.746SS**  trans-154.4136.4156.944.60000107.5
478K30.6Very low31.8Very low194 Ų194128.4 Ų128.484%0.84374%0.742SS**  cis62.9133.846.8-75.3-162.2169.8-171.50112.5
479T29.6Very low32.2Very low111 Ų111129.8 Ų129.868%0.68175%0.748SS**  cis-163.6178.88.8-1.50000109.4
480E27.9Very low31.2Very low147 Ų147132.2 Ų132.269%0.68775%0.749SS**  cis-159.6138.74.6-170.1122.3179.500113.2
481N26.8Very low30.3Very low132 Ų132132.8 Ų132.871%0.70675%0.751SS**  trans36.2178.2142.5-59.7-27.5000125.7
482V27.5Very low30.1Very low123 Ų123131.5 Ų131.575%0.74575%0.748SS**  trans8299159.9-177.90000115.8
483T26.8Very low29.9Very low115 Ų115132.3 Ų132.371%0.70675%0.748SS**  56.7142.67469.70000115
484K32.7Very low29.9Very low179 Ų179131.4 Ų131.478%0.77875%0.752SS**  cis-168.3155.46.9-123.8170.8-176.5-179.70107.1
485D26.8Very low29.6Very low155 Ų155131.6 Ų131.683%0.82976%0.763SS**  trans179171.7140.4-98.4-24.4000113.4
486T26.1Very low29.4Very low102 Ų102128.5 Ų128.563%0.62676%0.761SS**  -166.1105.6-61.4-81.20000110.4
487S28.8Very low29.5Very low101 Ų101126.7 Ų126.771%0.70675%0.753SS**  trans72.4152.4149.585.60000124
488S31.4Very low29.2Very low104 Ų104129.6 Ų129.673%0.72775%0.754SS**  trans86.3144.3141.1-560000120.7
489P42.6Very low29.4Very low131 Ų131128.9 Ų128.985%0.85175%0.751SS**  cis-136.3178.6-27.538.9-21.2000115.5
490E24.2Very low29.2Very low172 Ų172130.4 Ų130.480%0.80476%0.76SS**  trans-97.4159178-177.7-174177.400111.5
491V32Very low29.3Very low120 Ų120128.4 Ų128.473%0.72776%0.763SS**  158.2137.1125-72.10000115.2
492S28.8Very low29.4Very low110 Ų110128.6 Ų128.677%0.76977%0.769SS**  trans49.4151.2131.4-62.60000123.9
493S26.6Very low29.5Very low102 Ų102127.6 Ų127.671%0.71377%0.767SS**  cis-175.5-172.4-1555.40000111.2
494V30.7Very low30.6Very low127 Ų127127.6 Ų127.677%0.7777%0.769SS**  trans88.3116.1164.4-168.40000118.7
495T28.5Very low30.3Very low148 Ų148127.2 Ų127.291%0.90877%0.77SS**  trans-141.1142.515352.10000110.3
496S29.3Very low30.5Very low111 Ų111126.8 Ų126.878%0.77676%0.763SS**  trans-137.5148.616854.80000107.2
497G27.9Very low30.7Very low66 Ų66126.6 Ų126.668%0.6877%0.766SS**  cis85.3121.949.800000108.4
498E28.2Very low31.9Very low171 Ų171127.1 Ų127.180%0.79977%0.767SS**  cis-148.5153.110.3-63.2179.976.900111.1
499K33.5Very low31.8Very low179 Ų179128.8 Ų128.878%0.77877%0.772SS**  34.3129.6108.1-46.5175-177.1169.50115.3
500T26.8Very low31.5Very low143 Ų143130.8 Ų130.888%0.87777%0.77SS**  -170.8-178.171.938.50000113.9
501S29.5Very low33Very low106 Ų106127.6 Ų127.674%0.74176%0.764SS**  trans-68.6-179.1177.9-49.10000114.4
502T28.9Very low32.8Very low136 Ų136127.2 Ų127.283%0.83476%0.762SS**  cis-163.9172.628.5-30.60000112.2
503S30.3Very low33.2Very low102 Ų102129.9 Ų129.971%0.71376%0.762SS**  trans-84.2-175.2168.171.80000112
504P49.6Very low33.5Very low115 Ų115130.6 Ų130.675%0.74776%0.762SS**  cis-152.4-17544.344.2-22000119.4
505H26.7Very low33.5Very low170 Ų170130.3 Ų130.379%0.78777%0.766SS**  trans134.5154.4135.9-145-86.3000118
506E29.5Very low34Very low146 Ų146132.5 Ų132.568%0.68276%0.763SS**  trans-103.5151.8-163.2-35.6-176.784.800114.8
507S30.8Very low33.9Very low98 Ų98133 Ų13369%0.68576%0.764SS**  79.9178.991.885.90000115.3
508P54.9Low34.6Very low112 Ų112136.8 Ų136.873%0.72777%0.769SS**  cis-136.2-170-7.341.9-24.2000115
509V29.6Very low34.7Very low140 Ų140134.7 Ų134.785%0.84877%0.773SS**  -179.1149.7129.3146.70000111.5
510Q34.4Very low34.9Very low173 Ų173131.8 Ų131.881%0.80878%0.776SS**  trans-133.3-156.2-177.5-137.8-167.779.500109.8
511P55.8Low35.1Very low104 Ų104130 Ų13068%0.67577%0.769SS**  cis-140.6-148.622.739.2-13.3000115.3
512V29.7Very low35.4Very low112 Ų112131 Ų13168%0.67977%0.771SS**  trans81.296.2167.8-163.10000116.1
513E36.2Very low35.9Very low167 Ų167131.6 Ų131.678%0.7877%0.769SS**  80.6143.358.6-67.9-165139.700114.5
514V33.6Very low36.4Very low116 Ų116132.7 Ų132.770%0.70377%0.771SS**  cis-157.7155.4-5.2-105.30000109.9
515S30.4Very low36Very low121 Ų121134.6 Ų134.685%0.84677%0.771SS**  151.6151130-71.80000113.5
516K39.5Very low37.3Very low195 Ų195135.6 Ų135.685%0.84878%0.776SS**  trans-148128.5-176.9177.1179-179.3176.30110.7
517C26.1Very low38.3Very low120 Ų120136.4 Ų136.481%0.81178%0.784SS**  trans-145.3134.8168.250.30000111.2
518N43.3Very low39Very low147 Ų147139 Ų13979%0.78679%0.788SS**  trans-92.8138.9164.6-69.58.1000108.1
519S30.2Very low38Very low126 Ų126140.6 Ų140.688%0.88179%0.791SS**  trans-157139.2162.8-78.50000109.7
520S37.9Very low38.8Very low119 Ų119139.6 Ų139.683%0.83279%0.79SS**  trans-141.6108.2-17655.90000110.8
521S30.7Very low39.4Very low106 Ų106137.5 Ų137.574%0.74179%0.789SS**  trans-170.2138.8170.152.60000114.5
522T35.9Very low38.7Very low127 Ų127139.7 Ų139.778%0.77980%0.795SS**  trans50.9110.3140.158.30000122.4
523N38.7Very low39.1Very low147 Ų147139.6 Ų139.679%0.78680%0.798SS**  -3.3129.1129.2-176.6-63.5000119.1
524T40.8Very low39.3Very low125 Ų125136.7 Ų136.777%0.76779%0.792SS**  trans-148.2118.114046.20000105.7
525E42.1Very low39.5Very low156 Ų156138.7 Ų138.773%0.72980%0.798SS**  73.8101.683.8-169.4-179170.400113.8
526E53.8Low40.2Very low191 Ų191142.8 Ų142.889%0.89380%0.795SS**  -147.2139.7128.4-79.7-147.7131.200108.3
527L49.2Very low40.3Very low163 Ų163141.3 Ų141.385%0.85380%0.795SS**  trans-122.5113.2-175.2-79.4165.2000110.2
528I45.4Very low40.9Very low152 Ų152141.7 Ų141.778%0.77979%0.789SS**  trans-137.7125.6161.4-55.8-177.3000111.1
529D35.6Very low41.2Very low145 Ų145140.7 Ų140.778%0.77579%0.793SS**  trans53.9101.5159.8-62.1-7000122.4
530S45.8Very low42.2Very low120 Ų120138.5 Ų138.584%0.83979%0.79SS**  trans-73.9115.1152.7-67.20000111.9
531T46.1Very low42.1Very low128 Ų128141.1 Ų141.179%0.78579%0.789SS**  trans-117.170158.344.40000110.7S533T531-S533 PolarHBondContact O-N 3.09Å
532L41.1Very low42.7Very low151 Ų151141.2 Ų141.279%0.79179%0.79SS**  trans-65.883.8-176.3-170.1102.6000112.7V534L532-V534 HydrophobicContact CD2-CG2 3.82Å; L532-V534 HydrophobicContact CG-CG2 4.08Å; L532-V534 PolarHBondContact O-N 3.23Å
533S39.2Very low42.9Very low109 Ų109143.2 Ų143.276%0.76279%0.79SS**  trans-87.579.6170.8-68.70000111.6T531 L535T531-S533 PolarHBondContact O-N 3.09Å; S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.09Å
534V40.3Very low43.4Very low107 Ų107140.6 Ų140.665%0.64878%0.781SS**  trans-64106.71631760000108.1L532 R536L532-V534 HydrophobicContact CD2-CG2 3.82Å; L532-V534 HydrophobicContact CG-CG2 4.08Å; L532-V534 PolarHBondContact O-N 3.23Å; V534-R536 PolarHBondContact O-N 2.73Å
535L37.6Very low43.3Very low158 Ų158139.1 Ų139.183%0.82778%0.781SS**  trans-66.1107.7168.2-75.4177.9000108.8S533 I537S533-L535 PolarHBondContact O-N 2.85Å; S533-L535 VanDerWaalsContact O-N 3.09Å; L535-I537 PolarHBondContact O-N 2.76Å
536R44.2Very low43.1Very low206 Ų206139.1 Ų139.178%0.77778%0.781SS**  trans-61.7120.3167.2-55.4178.9-157144.35.6107.7V534 D538V534-R536 PolarHBondContact O-N 2.73Å; R536-D538 PolarHBondContact O-N 2.94Å; R536-D538 VanDerWaalsContact O-N 3.08Å
537I42.8Very low42.4Very low165 Ų165135 Ų13585%0.84677%0.774SS**  trans-82.176.5161.3-53.4175.7000105.7L535L535-I537 PolarHBondContact O-N 2.76Å
538D39Very low42.3Very low128 Ų128133.5 Ų133.568%0.68477%0.772SS**  trans-62.7140.7170.6-93.1-51.5000109.1R536R536-D538 PolarHBondContact O-N 2.94Å; R536-D538 VanDerWaalsContact O-N 3.08Å
539S48.7Very low42.1Very low126 Ų126130.7 Ų130.788%0.88177%0.765SS**  trans-83.7138.6-173.2-59.60000111.5
540G50.4Low43Very low79 Ų79130.3 Ų130.381%0.81476%0.763SS**  trans132.255.4156.200000118.8
541E37.4Very low43.3Very low174 Ų174131 Ų13181%0.81376%0.757SS**  trans-116.397.5157.4-171.479.4-118.900108.2H543E541-H543 PolarHBondContact O-N 3.27Å
542S42.9Very low44Very low108 Ų108129.4 Ų129.476%0.75574%0.74SS**  trans-78.4103.8-178.855.90000110.2
543H39.2Very low44.8Very low169 Ų169125.9 Ų125.978%0.78273%0.732SS**  trans-52.7129.7171-67.5-46.1000110.4E541 A545E541-H543 PolarHBondContact O-N 3.27Å; H543-A545 PolarHBondContact O-N 3.16Å
544P49.7Very low46Very low92 Ų92129.2 Ų129.260%0.59773%0.728SS**  trans-67.7106.6-177.226.7-33.8000109.6H546P544-H546 PolarHBondContact O-N 3.37Å
545A38.9Very low46.9Very low94 Ų94131.5 Ų131.578%0.77773%0.732SS**  trans-62.2103.8168.100000108.2H543 S547H543-A545 PolarHBondContact O-N 3.16Å; A545-S547 PolarHBondContact O-N 2.95Å
546H38.5Very low47.8Very low156 Ų156132.6 Ų132.672%0.72273%0.732SS**  trans-71.365.6173.5-61.6-53000110.5P544 T548P544-H546 PolarHBondContact O-N 3.37Å; H546-T548 VanDerWaalsContact C-N 3.32Å; H546-T548 PolarHBondContact O-N 3.09Å
547S38.2Very low48.8Very low105 Ų105124.5 Ų124.573%0.73471%0.713SS**  trans-64.794.9167.4-174.80000107.7A545 S549A545-S547 PolarHBondContact O-N 2.95Å; S547-S549 PolarHBondContact O-N 3.03Å
548T46.8Very low49.6Very low132 Ų132124.7 Ų124.781%0.8171%0.708SS**  trans-75.561.4176.754.20000110.2H546 N550H546-T548 VanDerWaalsContact C-N 3.32Å; H546-T548 PolarHBondContact O-N 3.09Å; T548-N550 PolarHBondContact O-N 2.95Å
549S42.7Very low50.8Low93 Ų93122.8 Ų122.865%0.6570%0.701SS**  trans-57.8109168.9-175.10000108.2S547 D551S547-S549 PolarHBondContact O-N 3.03Å; S549-D551 PolarHBondContact O-N 2.96Å
550N52.8Low50.9Low136 Ų136125.3 Ų125.373%0.72771%0.71SS**  trans-85.349.3176.2-150.5-51.5000109.7T548 K552T548-N550 PolarHBondContact O-N 2.95Å; N550-K552 VanDerWaalsContact C-N 3.3Å; N550-K552 PolarHBondContact O-N 2.91Å
551D52.4Low50.9Low134 Ų134127.6 Ų127.672%0.71771%0.705SS**  trans-75.286.7176.6-174.325.7000109.5S549 A553S549-D551 PolarHBondContact O-N 2.96Å; D551-A553 VanDerWaalsContact C-N 3.31Å; D551-A553 PolarHBondContact O-N 3.43Å
552K60.7Low51.6Low95 Ų95125.2 Ų125.241%0.41370%0.699SS.*  trans-75.987.9172.3-86.4170.5149-72.80109N550 R554 V559 V560N550-K552 VanDerWaalsContact C-N 3.3Å; N550-K552 PolarHBondContact O-N 2.91Å; K552-R554 PolarHBondContact O-N 2.99Å; K552-V559 HydrophobicContact CB-CG1 4.14Å; K552-V559 HydrophobicContact CB-CG2 4.28Å; K552-V559 HydrophobicContact CD-CG1 3.63Å; K552-V559 HydrophobicContact CG-CG1 4.22Å; K552-V560 PolarHBondContact NZ-O 2.64Å
553A57.5Low52.1Low77 Ų77126.1 Ų126.164%0.63670%0.696SS**  trans-36.3110.4176.500000111.9D551 E555D551-A553 VanDerWaalsContact C-N 3.31Å; D551-A553 PolarHBondContact O-N 3.43Å; A553-E555 PolarHBondContact O-N 3.47Å
554R65.1Low52.9Low179 Ų179123.6 Ų123.668%0.67569%0.691SS**  trans-101.759.5-163.4-163-172.8175.1-160.5-7.4112.4K552 H556 G557 K558K552-R554 PolarHBondContact O-N 2.99Å; R554-H556 PolarHBondContact O-N 3.04Å; R554-G557 PolarHBondContact NE-O 3.23Å; R554-G557 PolarHBondContact NH2-O 3Å; R554-G557 PolarHBondContact O-N 3.13Å; R554-K558 WeakPolarHBondContact CG-O 3.39Å
555E58.9Low53.1Low155 Ų155125.6 Ų125.672%0.72470%0.697SS**G310 helixtrans-63.2133.6175.1-159.1176.9-168.900110.6A553 G557 K558A553-E555 PolarHBondContact O-N 3.47Å; E555-G557 PolarHBondContact O-N 3.25Å; E555-K558 PolarHBondContact O-N 3.09Å
556H56.1Low54Low181 Ų181127.7 Ų127.784%0.83869%0.692SS**G310 helixtrans46.532.4-175.9-60.2-60000115.7R554 K558R554-H556 PolarHBondContact O-N 3.04Å; H556-K558 VanDerWaalsContact C-N 3.29Å; H556-K558 PolarHBondContact O-N 3.23Å
557G65.9Low55.1Low37 Ų37125.6 Ų125.638%0.38169%0.69SS.*G310 helixtrans79.9-1.2169.200000115.9R554 E555R554-G557 PolarHBondContact NE-O 3.23Å; R554-G557 PolarHBondContact NH2-O 3Å; R554-G557 PolarHBondContact O-N 3.13Å; E555-G557 PolarHBondContact O-N 3.25Å
558K60.1Low56.5Low169 Ų169127.2 Ų127.274%0.73569%0.686SS**  trans-104.5159.3174.9-70.8-178.6-178.1174.60111.3R554 E555 H556R554-K558 WeakPolarHBondContact CG-O 3.39Å; E555-K558 PolarHBondContact O-N 3.09Å; H556-K558 VanDerWaalsContact C-N 3.29Å; H556-K558 PolarHBondContact O-N 3.23Å
559V64.9Low57.3Low87 Ų87126.8 Ų126.853%0.52768%0.676SS.*  trans-99131.9172.2163.80000108.1K552K552-V559 HydrophobicContact CB-CG1 4.14Å; K552-V559 HydrophobicContact CB-CG2 4.28Å; K552-V559 HydrophobicContact CD-CG1 3.63Å; K552-V559 HydrophobicContact CG-CG1 4.22Å
560V50.1Low58.6Low179 Ų179129.9 Ų129.9100%1.08568%0.678SS**  trans-87.40164-171.70000109.1K552K552-V560 PolarHBondContact NZ-O 2.64Å

Retrieved 560 of 560 residues in 237.2 ms (Link to these results)