A0A060VNS4_ONCMY Loading...

Guanine nucleotide-binding protein-like 3

AlphaFold DB , UniProt , Accession A0A060VNS4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gnl3, 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
1M48.7Very low69Low243 Ų243171.1 Ų171.1100%1.19788%0.877SS**  0124.10-65.3172.3175.200109.3
2K51.3Low70.2Confident214 Ų214176 Ų17693%0.9388%0.876SS**PPolyproline II helixtrans-83.3128.4175.7-76.1-177.1176.2176.90109.8
3R60.7Low71.3Confident244 Ų244168.2 Ų168.292%0.92184%0.843SS**PPolyproline II helixtrans-61.6134.3177-76.2-179.5171.4175.2-2.8110.3G5R3-G5 PolarHBondContact O-N 3.49Å
4P63.7Low72.8Confident126 Ų126161.4 Ų161.482%0.81882%0.819SS**PPolyproline II helixtrans-67.4122.8177.626.6-33000110.6L6P4-L6 PolarHBondContact O-N 3.36Å
5G65.7Low73.9Confident69 Ų69157.7 Ų157.771%0.71181%0.812SS**PPolyproline II helixtrans-68.6125.4-179.100000112.4R3 K7R3-G5 PolarHBondContact O-N 3.49Å; G5-K7 PolarHBondContact O-N 3.37Å
6L70.8Confident75Confident173 Ų173153.4 Ų153.491%0.90680%0.801SS**  trans-60115.7174.5-77.3161.2000110.6P4 K8P4-L6 PolarHBondContact O-N 3.36Å; L6-K8 PolarHBondContact O-N 3.34Å; L6-K8 VanDerWaalsContact O-N 3.07Å
7K74.4Confident76Confident209 Ų209152 Ų15291%0.90979%0.787SS**  trans-66.5106.9179.7-65-175.6-177-179.80110.2G5 A9G5-K7 PolarHBondContact O-N 3.37Å; K7-A9 PolarHBondContact O-N 3.41Å
8K77.9Confident76.8Confident207 Ų207152.1 Ų152.190%0.978%0.775SS**PPolyproline II helixtrans-60.1129.3174.3-68.1-177.5-179.2175.90110L6L6-K8 PolarHBondContact O-N 3.34Å; L6-K8 VanDerWaalsContact O-N 3.07Å
9A79.1Confident77.7Confident97 Ų97151.4 Ų151.480%0.80276%0.763SS**PPolyproline II helixtrans-64.9136.1-179.500000111.8K7K7-A9 PolarHBondContact O-N 3.41Å
10S81.9Confident78.6Confident92 Ų92150.8 Ų150.864%0.64376%0.755SS**PPolyproline II helixtrans-67.7133.2-179.8-175.60000111.9R12S10-R12 PolarHBondContact O-N 2.98Å; S10-R12 PolarHBondContact OG-N 3.45Å
11K84.3Confident79.3Confident208 Ų208147.9 Ų147.990%0.90474%0.741SS**  trans-73.4-9.8171.8-64.7-178.9-180177.40113V13K11-V13 PolarHBondContact O-N 2.96Å
12R83.5Confident81.3Confident230 Ų230141.1 Ų141.187%0.86871%0.707SS**PPolyproline II helixtrans-71.4124.1178.2-67.3-174.2177.5-177.2-0.2110.4S10S10-R12 PolarHBondContact O-N 2.98Å; S10-R12 PolarHBondContact OG-N 3.45Å
13V85.6Confident83.5Confident75 Ų75136.3 Ų136.346%0.45569%0.686SS.*PPolyproline II helixtrans-100.6122.7179.6-171.70000109.6K11 K17 R18K11-V13 PolarHBondContact O-N 2.96Å; V13-K17 HydrophobicContact CG1-CB 3.8Å; V13-K17 HydrophobicContact CG1-CD 4.03Å; V13-K17 HydrophobicContact CG1-CG 3.78Å; V13-R18 HydrophobicContact CB-CG 4.1Å; V13-R18 HydrophobicContact CG1-CG 3.72Å
14S91.4Very high85.2Confident72 Ų72131.2 Ų131.250%0.50367%0.67SS.*PPolyproline II helixtrans-60.9150.4177.3680000112.2S16 K17 R18S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.44Å; S14-K17 PolarHBondContact O-N 3.21Å; S14-K17 WeakPolarHBondContact OG-CB 3.44Å; S14-K17 PolarHBondContact OG-N 3.07Å; S14-R18 PolarHBondContact O-N 3.2Å
15C89Confident86.7Confident106 Ų106128.9 Ų128.972%0.71665%0.653SS**Hα-helixtrans-56.4-43.8-179.3-168.80000111.8K17 R18 Y19C15-K17 PolarHBondContact O-N 2.86Å; C15-R18 WeakPolarHBondContact O-CB 3.4Å; C15-R18 PolarHBondContact O-N 2.87Å; C15-R18 VanDerWaalsContact O-N 3.16Å; C15-Y19 PolarHBondContact O-N 3.33Å
16S92.4Very high88Confident90 Ų90132.1 Ų132.163%0.62964%0.644SS**Hα-helixtrans-55.1-45.1172.9174.70000112.8S14 Y19 K20S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.44Å; S16-Y19 PolarHBondContact O-N 3.44Å; S16-K20 WeakPolarHBondContact O-CB 3.31Å; S16-K20 PolarHBondContact O-N 3.37Å
17K92.3Very high89.1Confident129 Ų129128.7 Ų128.756%0.56162%0.624SS**Hα-helixtrans-66.9-38.8177.5-173.1168.3177.2178.50111.8V13 S14 C15 K20 I21V13-K17 HydrophobicContact CG1-CB 3.8Å; V13-K17 HydrophobicContact CG1-CD 4.03Å; V13-K17 HydrophobicContact CG1-CG 3.78Å; S14-K17 PolarHBondContact O-N 3.21Å; S14-K17 WeakPolarHBondContact OG-CB 3.44Å; S14-K17 PolarHBondContact OG-N 3.07Å; C15-K17 PolarHBondContact O-N 2.86Å; K17-K20 PolarHBondContact O-N 2.94Å; K17-I21 HydrophobicContact CG-CD1 4.24Å; K17-I21 WeakPolarHBondContact O-CD1 3.29Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.36Å; K17-I21 PolarHBondContact O-N 3.34Å
18R89.4Confident90.1Very high154 Ų154124 Ų12458%0.58160%0.604SS**Hα-helixtrans-60.8-47.4172.5-66.5178.670.1-169.72.1111.6V13 S14 C15 I21 Q22V13-R18 HydrophobicContact CB-CG 4.1Å; V13-R18 HydrophobicContact CG1-CG 3.72Å; S14-R18 PolarHBondContact O-N 3.2Å; C15-R18 WeakPolarHBondContact O-CB 3.4Å; C15-R18 PolarHBondContact O-N 2.87Å; C15-R18 VanDerWaalsContact O-N 3.16Å; R18-I21 PolarHBondContact O-N 3.21Å; R18-Q22 WeakPolarHBondContact O-CG 3.42Å; R18-Q22 PolarHBondContact O-N 3.14Å
19Y93.8Very high90.8Very high138 Ų138118.3 Ų118.354%0.54158%0.584SS.*Hα-helixtrans-64.2-41.7179.1-168.3-100.2000112.1C15 S16 I21 Q22 K23C15-Y19 PolarHBondContact O-N 3.33Å; S16-Y19 PolarHBondContact O-N 3.44Å; Y19-I21 VanDerWaalsContact C-N 3.34Å; Y19-I21 PolarHBondContact O-N 2.64Å; Y19-Q22 PolarHBondContact O-N 2.9Å; Y19-K23 WeakPolarHBondContact O-CB 3.36Å; Y19-K23 PolarHBondContact O-N 3.05Å
20K96.4Very high91.5Very high140 Ų140120.7 Ų120.761%0.60958%0.576SS**Hα-helixtrans-61.9-38.8175.7-163.8169.5-172171.40112.1S16 K17 K24S16-K20 WeakPolarHBondContact O-CB 3.31Å; S16-K20 PolarHBondContact O-N 3.37Å; K17-K20 PolarHBondContact O-N 2.94Å; K20-K24 WeakPolarHBondContact O-CG 3.2Å; K20-K24 PolarHBondContact O-N 3.32Å
21I93.3Very high92.1Very high89 Ų89122.8 Ų122.846%0.45657%0.574SS.*Hα-helixtrans-64.5-49.6172.7-68.1162.5000110.7K17 R18 Y19 K23 K24 V25K17-I21 HydrophobicContact CG-CD1 4.24Å; K17-I21 WeakPolarHBondContact O-CD1 3.29Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.36Å; K17-I21 PolarHBondContact O-N 3.34Å; R18-I21 PolarHBondContact O-N 3.21Å; Y19-I21 VanDerWaalsContact C-N 3.34Å; Y19-I21 PolarHBondContact O-N 2.64Å; I21-K23 VanDerWaalsContact C-N 3.29Å; I21-K23 PolarHBondContact O-N 3.46Å; I21-K24 PolarHBondContact O-N 3.23Å; I21-V25 HydrophobicContact CG2-CG2 4.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.99Å
22Q91.2Very high92.3Very high102 Ų102117.3 Ų117.348%0.47755%0.554SS.*Hα-helixtrans-60.9-34.6178.1-72.4178.7-6.900113.2R18 Y19 R26R18-Q22 WeakPolarHBondContact O-CG 3.42Å; R18-Q22 PolarHBondContact O-N 3.14Å; Y19-Q22 PolarHBondContact O-N 2.9Å; Q22-R26 WeakPolarHBondContact O-CB 3.22Å; Q22-R26 WeakPolarHBondContact O-CG 3.44Å; Q22-R26 PolarHBondContact O-N 2.81Å; Q22-R26 VanDerWaalsContact O-N 3.13Å; Q22-R26 PolarHBondContact O-NE 3.14Å
23K96.1Very high92.3Very high112 Ų112115 Ų11549%0.48755%0.545SS..Hα-helixtrans-66.3-50173.8-174.9173.5175177.80110.7Y19 I21 V25 R26 E27Y19-K23 WeakPolarHBondContact O-CB 3.36Å; Y19-K23 PolarHBondContact O-N 3.05Å; I21-K23 VanDerWaalsContact C-N 3.29Å; I21-K23 PolarHBondContact O-N 3.46Å; K23-V25 PolarHBondContact O-N 3.12Å; K23-R26 PolarHBondContact O-N 2.69Å; K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 WeakPolarHBondContact CG-OE1 3.23Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.4Å
24K96.3Very high92.5Very high138 Ų138117.7 Ų117.760%0.655%0.551SS**Hα-helixtrans-57.1-43.6175.9-77.6-171.7171-164.20113.1K20 I21 E27 H28K20-K24 WeakPolarHBondContact O-CG 3.2Å; K20-K24 PolarHBondContact O-N 3.32Å; I21-K24 PolarHBondContact O-N 3.23Å; K24-E27 PolarHBondContact O-N 3.34Å; K24-H28 VanDerWaalsContact O-CB 3.3Å; K24-H28 WeakPolarHBondContact O-CB 3.29Å; K24-H28 PolarHBondContact O-N 2.93Å
25V95.6Very high92.3Very high76 Ų76117 Ų11746%0.46154%0.541SS..Hα-helixtrans-64.4-42.3177.5172.30000111.4I21 K23 H28 N29I21-V25 HydrophobicContact CG2-CG2 4.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.99Å; K23-V25 PolarHBondContact O-N 3.12Å; V25-H28 PolarHBondContact O-N 3.47Å; V25-N29 WeakPolarHBondContact O-CB 3.38Å; V25-N29 VanDerWaalsContact O-CG 3.27Å; V25-N29 PolarHBondContact O-N 3.1Å
26R92.4Very high91.8Very high138 Ų138114.3 Ų114.352%0.52153%0.527SS..Hα-helixtrans-62.4-43.3175-79.3-178-77.8169.1-9.1112.1Q22 K23 K30Q22-R26 WeakPolarHBondContact O-CB 3.22Å; Q22-R26 WeakPolarHBondContact O-CG 3.44Å; Q22-R26 PolarHBondContact O-N 2.81Å; Q22-R26 VanDerWaalsContact O-N 3.13Å; Q22-R26 PolarHBondContact O-NE 3.14Å; K23-R26 PolarHBondContact O-N 2.69Å; R26-K30 VanDerWaalsContact O-CB 3.3Å; R26-K30 WeakPolarHBondContact O-CB 3.39Å; R26-K30 PolarHBondContact O-N 2.89Å
27E95.1Very high91.3Very high101 Ų101117.7 Ų117.747%0.47253%0.53SS..Hα-helixtrans-65.3-44.4177.2-74166.2178.600112K23 K24 K30 K31K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 WeakPolarHBondContact CG-OE1 3.23Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.4Å; K24-E27 PolarHBondContact O-N 3.34Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.37Å; E27-K31 PolarHBondContact O-N 3.46Å
28H96Very high90.8Very high109 Ų109120.1 Ų120.151%0.50554%0.541SS..Hα-helixtrans-58.3-49.2174.6178.2-98.2000112K24 V25 K30 K31 L32K24-H28 VanDerWaalsContact O-CB 3.3Å; K24-H28 WeakPolarHBondContact O-CB 3.29Å; K24-H28 PolarHBondContact O-N 2.93Å; V25-H28 PolarHBondContact O-N 3.47Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 2.95Å; H28-K31 WeakPolarHBondContact O-CB 3.48Å; H28-K31 PolarHBondContact O-N 3.24Å; H28-K31 VanDerWaalsContact O-N 3.11Å; H28-L32 WeakPolarHBondContact CE1-CD1 3.46Å; H28-L32 PolarHBondContact O-N 2.9Å
29N92.3Very high90.2Very high88 Ų88120.8 Ų120.847%0.47155%0.548SS..Hα-helixtrans-67.9-32.1179.4-66.9-4.1000112V25 R33V25-N29 WeakPolarHBondContact O-CB 3.38Å; V25-N29 VanDerWaalsContact O-CG 3.27Å; V25-N29 PolarHBondContact O-N 3.1Å; N29-R33 WeakPolarHBondContact O-CB 3.49Å; N29-R33 PolarHBondContact O-N 3.32Å
30K93.6Very high88.8Confident147 Ų147117.2 Ų117.264%0.63955%0.553SS**Hα-helixtrans-65.6-38.4171-169.5177.9-175.5179.90111.5R26 E27 H28 K34R26-K30 VanDerWaalsContact O-CB 3.3Å; R26-K30 WeakPolarHBondContact O-CB 3.39Å; R26-K30 PolarHBondContact O-N 2.89Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.37Å; H28-K30 VanDerWaalsContact C-N 3.31Å; H28-K30 PolarHBondContact O-N 2.95Å; K30-K34 WeakPolarHBondContact O-CG 3.42Å; K30-K34 PolarHBondContact O-N 2.96Å; K30-K34 VanDerWaalsContact O-N 3.14Å
31K94.3Very high87.1Confident137 Ų137115 Ų11560%0.59655%0.551SS**Hα-helixtrans-65.4-53.2173.4-171.8-180177.5-177.40111E27 H28 R33 K34 D35E27-K31 PolarHBondContact O-N 3.46Å; H28-K31 WeakPolarHBondContact O-CB 3.48Å; H28-K31 PolarHBondContact O-N 3.24Å; H28-K31 VanDerWaalsContact O-N 3.11Å; K31-R33 VanDerWaalsContact C-N 3.26Å; K31-R33 PolarHBondContact O-N 3.03Å; K31-K34 CarbonylContact O-C 3.6Å; K31-K34 WeakPolarHBondContact O-CA 3.4Å; K31-K34 WeakPolarHBondContact O-CB 3.49Å; K31-K34 PolarHBondContact O-N 3.39Å; K31-D35 WeakPolarHBondContact CG-OD2 3.22Å; K31-D35 PolarHBondContact O-N 3.21Å
32L88.4Confident85.6Confident92 Ų92113.4 Ų113.448%0.48256%0.557SS.*Hα-helixtrans-53.2-41.3175.7-74.2-179.1000112.8H28 D35 A36H28-L32 WeakPolarHBondContact CE1-CD1 3.46Å; H28-L32 PolarHBondContact O-N 2.9Å; L32-D35 PolarHBondContact O-N 3.24Å; L32-A36 VanDerWaalsContact O-CB 3.23Å; L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.88Å
33R83.6Confident84Confident183 Ų183118.5 Ų118.569%0.69158%0.577SS**Hα-helixtrans-68.1-33.7176.8-170.9177.3179.1-160.7-0.6113N29 K31 K37N29-R33 WeakPolarHBondContact O-CB 3.49Å; N29-R33 PolarHBondContact O-N 3.32Å; K31-R33 VanDerWaalsContact C-N 3.26Å; K31-R33 PolarHBondContact O-N 3.03Å; R33-K37 WeakPolarHBondContact O-CG 3.38Å; R33-K37 PolarHBondContact O-N 2.88Å
34K89.1Confident82.3Confident131 Ų131121.9 Ų121.957%0.5759%0.592SS**Hα-helixtrans-69.1-44.5171.8-76.9-175172.8-166.60110.9K30 K31 K37 K38K30-K34 WeakPolarHBondContact O-CG 3.42Å; K30-K34 PolarHBondContact O-N 2.96Å; K30-K34 VanDerWaalsContact O-N 3.14Å; K31-K34 CarbonylContact O-C 3.6Å; K31-K34 WeakPolarHBondContact O-CA 3.4Å; K31-K34 WeakPolarHBondContact O-CB 3.49Å; K31-K34 PolarHBondContact O-N 3.39Å; K34-K37 WeakPolarHBondContact O-CB 3.4Å; K34-K37 PolarHBondContact O-N 3.1Å; K34-K38 WeakPolarHBondContact O-CG 3.14Å; K34-K38 PolarHBondContact O-N 3.5Å
35D86.7Confident80.8Confident56 Ų56121.7 Ų121.730%0.29960%0.602SS.*Hα-helixtrans-69.1-37.3-178.3-63.8-16.7000111.5K31 L32 K38 K39K31-D35 WeakPolarHBondContact CG-OD2 3.22Å; K31-D35 PolarHBondContact O-N 3.21Å; L32-D35 PolarHBondContact O-N 3.24Å; D35-K38 PolarHBondContact O-N 3.32Å; D35-K39 WeakPolarHBondContact O-CB 3.42Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.45Å
36A79.2Confident79.6Confident50 Ų50127.4 Ų127.441%0.41362%0.621SS.*Hα-helixtrans-64.4-36.6171.900000112.8L32L32-A36 VanDerWaalsContact O-CB 3.23Å; L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.88Å
37K81.2Confident78.6Confident161 Ų161130.1 Ų130.170%0.764%0.636SS**Hα-helixtrans-66.1-45.5171.3-80.4-175.5169.2-157.60111.7R33 K34 K39 G40R33-K37 WeakPolarHBondContact O-CG 3.38Å; R33-K37 PolarHBondContact O-N 2.88Å; K34-K37 WeakPolarHBondContact O-CB 3.4Å; K34-K37 PolarHBondContact O-N 3.1Å; K37-K39 VanDerWaalsContact C-N 3.32Å; K37-K39 PolarHBondContact O-N 3.44Å; K37-G40 PolarHBondContact O-N 2.92Å
38K82.6Confident77.5Confident181 Ų181132.7 Ų132.779%0.78765%0.653SS**Hα-helixtrans-61.8-37.5175.7-74.6-173.5176.4-165.10112.6K34 D35 G40K34-K38 WeakPolarHBondContact O-CG 3.14Å; K34-K38 PolarHBondContact O-N 3.5Å; D35-K38 PolarHBondContact O-N 3.32Å; K38-G40 PolarHBondContact O-N 2.92Å
39K76Confident76.3Confident167 Ų167135.2 Ų135.273%0.72667%0.668SS**THydrogen-bonded Turntrans-77.36.2178.5-72.9-178.2176-172.20114.3D35 K37 V41D35-K39 WeakPolarHBondContact O-CB 3.42Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.43Å; D35-K39 PolarHBondContact O-N 3.45Å; K37-K39 VanDerWaalsContact C-N 3.32Å; K37-K39 PolarHBondContact O-N 3.44Å; K39-V41 HydrophobicContact CB-CG2 4.05Å; K39-V41 WeakPolarHBondContact O-CG2 3.46Å; K39-V41 PolarHBondContact O-N 3.47Å
40G66.4Low75.6Confident63 Ų63133.3 Ų133.365%0.64967%0.67SS**THydrogen-bonded Turntrans58.126.7170.500000114.9K37 K38 G42K37-G40 PolarHBondContact O-N 2.92Å; K38-G40 PolarHBondContact O-N 2.92Å; G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.13Å
41V59.6Low75Confident95 Ų95129 Ų12958%0.57666%0.656SS**  trans-77.380.5-174.8-169.40000109.9K39K39-V41 HydrophobicContact CB-CG2 4.05Å; K39-V41 WeakPolarHBondContact O-CG2 3.46Å; K39-V41 PolarHBondContact O-N 3.47Å
42G61.3Low74.4Confident55 Ų55126.6 Ų126.657%0.56765%0.654SS**  trans-51.8150.715400000109.3G40 K44G40-G42 VanDerWaalsContact C-N 3.26Å; G40-G42 PolarHBondContact O-N 3.13Å; G42-K44 PolarHBondContact O-N 3.35Å
43K58.8Low73.9Confident209 Ų209128.9 Ų128.991%0.90967%0.667SS**  trans-49.8108.9175.8-86.9179.1173.91750108.1V45K43-V45 PolarHBondContact O-N 3.27Å
44K60.5Low73.9Confident182 Ų182130 Ų13079%0.79168%0.677SS**  trans-53.9118.6170.7-72.5-169.8176.8-173.30106G42 K46G42-K44 PolarHBondContact O-N 3.35Å; K44-K46 PolarHBondContact O-N 3.37Å
45V63.6Low73.4Confident134 Ų134125.3 Ų125.381%0.81266%0.662SS**  trans-52120.9169.8179.10000105.2K43 K47K43-V45 PolarHBondContact O-N 3.27Å; V45-K47 PolarHBondContact O-N 3.41Å
46K69.9Low73.1Confident197 Ų197128.1 Ų128.186%0.85768%0.684SS**  trans-60.1114.2178-70.8-175.5177.5-176.10105.5K44 D48K44-K46 PolarHBondContact O-N 3.37Å; K46-D48 PolarHBondContact O-N 2.65Å
47K72.5Confident73.5Confident195 Ų195132.2 Ų132.285%0.84869%0.692SS**  trans-57.8123.6171.2-69.5-170.1175.3-169.40106.1V45 I49V45-K47 PolarHBondContact O-N 3.41Å; K47-I49 PolarHBondContact O-N 2.83Å
48D71.6Confident73.6Confident155 Ų155127 Ų12783%0.82967%0.67SS**  trans-61.9134.5173.5-158.2-19.6000107.8K46 G50K46-D48 PolarHBondContact O-N 2.65Å; D48-G50 PolarHBondContact O-N 2.7Å
49I72.1Confident73.6Confident161 Ų161123.9 Ų123.983%0.82666%0.658SS**  trans-78.1-17.5-172.4-65.1174.2000110K47K47-I49 PolarHBondContact O-N 2.83Å
50G77.6Confident74.1Confident49 Ų49119.5 Ų119.551%0.50564%0.643SS.*  trans68.7177.6176.200000113.1D48 P52D48-G50 PolarHBondContact O-N 2.7Å; G50-P52 WeakPolarHBondContact O-CD 3.3Å
51V79.9Confident74.9Confident57 Ų57120.2 Ų120.235%0.34563%0.631SS.*  trans-80.9118.3171.2-177.30000108.2A55 K58 I61V51-A55 HydrophobicContact CG1-CB 3.91Å; V51-K58 HydrophobicContact CB-CG 4.44Å; V51-K58 HydrophobicContact CG1-CB 4.32Å; V51-K58 HydrophobicContact CG1-CG 3.95Å; V51-I61 HydrophobicContact CG2-CG2 4.13Å
52P81.1Confident76Confident86 Ų86119.3 Ų119.356%0.55862%0.622SS**  trans-62.8142.7-178.3-23.635000112.5G50 K54 A55G50-P52 WeakPolarHBondContact O-CD 3.3Å; P52-K54 PolarHBondContact O-N 3.16Å; P52-A55 WeakPolarHBondContact O-CB 3.35Å; P52-A55 PolarHBondContact O-N 3.02Å
53N78.7Confident77.3Confident140 Ų140122.6 Ų122.675%0.74962%0.617SS**THydrogen-bonded Turntrans-59.3-14-179.4-77-8.6000115.2K58N53-K58 PolarHBondContact OD1-NZ 3.45Å
54K83.3Confident78.7Confident206 Ų206117.2 Ų117.290%0.89660%0.596SS**THydrogen-bonded Turntrans-86.60.2176.2-63.1-171.6177.3-172.50113.9P52P52-K54 PolarHBondContact O-N 3.16Å
55A78.4Confident79.9Confident32 Ų32110.6 Ų110.626%0.26458%0.575SS.*  trans-74.8123179.400000110.7V51 P52 F57 K58V51-A55 HydrophobicContact CG1-CB 3.91Å; P52-A55 WeakPolarHBondContact O-CB 3.35Å; P52-A55 PolarHBondContact O-N 3.02Å; A55-F57 PolarHBondContact O-N 2.67Å; A55-F57 VanDerWaalsContact O-N 3.16Å; A55-K58 HydrophobicContact CB-CB 4.31Å; A55-K58 WeakPolarHBondContact O-CB 3.32Å; A55-K58 PolarHBondContact O-N 3.32Å
56P81.9Confident81Confident115 Ų115110.9 Ų110.975%0.74757%0.567SS**THydrogen-bonded Turntrans-65.2-21.7-171.824-33.9000114.4
57F85.8Confident81.9Confident137 Ų137106.3 Ų106.360%0.60155%0.549SS*.THydrogen-bonded Turntrans-116.128.4179.8-53.7-68.3000112.6A55 E59 D60 I61A55-F57 PolarHBondContact O-N 2.67Å; A55-F57 VanDerWaalsContact O-N 3.16Å; F57-E59 VanDerWaalsContact C-N 3.31Å; F57-E59 PolarHBondContact O-N 2.94Å; F57-D60 PolarHBondContact O-N 3.17Å; F57-I61 VanDerWaalsContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG1 3.2Å; F57-I61 PolarHBondContact O-N 3.39Å; F57-I61 VanDerWaalsContact O-N 3.07Å
58K84.3Confident82.5Confident51 Ų51103.6 Ų103.622%0.22253%0.533CS..Hα-helixtrans-54.6-45.4-177-179.7-174.1166.1-1510112.4V51 N53 A55 I61 L62V51-K58 HydrophobicContact CB-CG 4.44Å; V51-K58 HydrophobicContact CG1-CB 4.32Å; V51-K58 HydrophobicContact CG1-CG 3.95Å; N53-K58 PolarHBondContact OD1-NZ 3.45Å; A55-K58 HydrophobicContact CB-CB 4.31Å; A55-K58 WeakPolarHBondContact O-CB 3.32Å; A55-K58 PolarHBondContact O-N 3.32Å; K58-I61 PolarHBondContact O-N 3.2Å; K58-L62 HydrophobicContact CG-CD1 4.15Å; K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.45Å
59E82.7Confident83.1Confident115 Ų115105.3 Ų105.354%0.53753%0.528SS..Hα-helixtrans-65.4-39.1-177.9-62.7-53.4127.700112.2F57 L62 R63F57-E59 VanDerWaalsContact C-N 3.31Å; F57-E59 PolarHBondContact O-N 2.94Å; E59-L62 PolarHBondContact O-N 3.42Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 PolarHBondContact O-N 2.95Å
60D85.5Confident83.9Confident76 Ų76100.6 Ų100.641%0.40651%0.509SS..Hα-helixtrans-69.9-38177.9-58.1-45.9000111.7F57 L62 R63 E64F57-D60 PolarHBondContact O-N 3.17Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.47Å; D60-R63 PolarHBondContact O-N 3.42Å; D60-R63 IonicContact OD1-CZ 3.71Å; D60-R63 IonicContact OD1-NH1 3.7Å; D60-R63 PolarHBondContact OD1-NH1 2.71Å; D60-R63 IonicContact OD1-NH2 3.52Å; D60-E64 WeakPolarHBondContact O-CB 3.25Å; D60-E64 PolarHBondContact O-N 3.19Å
61I83.6Confident84.5Confident78 Ų78104.5 Ų104.540%0.451%0.513SS..Hα-helixtrans-62.9-39.9174-66.5164.5000111.1V51 F57 K58 A65V51-I61 HydrophobicContact CG2-CG2 4.13Å; F57-I61 VanDerWaalsContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG1 3.2Å; F57-I61 PolarHBondContact O-N 3.39Å; F57-I61 VanDerWaalsContact O-N 3.07Å; K58-I61 PolarHBondContact O-N 3.2Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.99Å; I61-A65 VanDerWaalsContact O-N 3.08Å
62L83.3Confident84.6Confident75 Ų75105.8 Ų105.839%0.39352%0.517SS..Hα-helixtrans-67.5-45175.4-70.9173.2000111.4K58 E59 D60 E64 A65 E66K58-L62 HydrophobicContact CG-CD1 4.15Å; K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.45Å; E59-L62 PolarHBondContact O-N 3.42Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.47Å; L62-E64 PolarHBondContact O-N 2.95Å; L62-A65 WeakPolarHBondContact O-CB 3.48Å; L62-A65 PolarHBondContact O-N 3.4Å; L62-A65 VanDerWaalsContact O-N 3.14Å; L62-E66 PolarHBondContact O-N 3.09Å
63R87.7Confident84.9Confident125 Ų125107.7 Ų107.747%0.47252%0.519SS..Hα-helixtrans-62-41.4177.6-161.2-175.4-57121.88.7112.2E59 D60 A65 E66 Q67E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 PolarHBondContact O-N 2.95Å; D60-R63 PolarHBondContact O-N 3.42Å; D60-R63 IonicContact OD1-CZ 3.71Å; D60-R63 IonicContact OD1-NH1 3.7Å; D60-R63 PolarHBondContact OD1-NH1 2.71Å; D60-R63 IonicContact OD1-NH2 3.52Å; R63-A65 VanDerWaalsContact C-N 3.34Å; R63-E66 PolarHBondContact O-N 2.88Å; R63-Q67 WeakPolarHBondContact O-CG 3.44Å; R63-Q67 PolarHBondContact O-N 3.44Å
64E88.6Confident85.4Confident96 Ų96105.2 Ų105.245%0.44950%0.502SS..Hα-helixtrans-64.3-38.9174.1-163.5-159145.400111.6D60 L62 R68D60-E64 WeakPolarHBondContact O-CB 3.25Å; D60-E64 PolarHBondContact O-N 3.19Å; L62-E64 PolarHBondContact O-N 2.95Å; E64-R68 VanDerWaalsContact O-CB 3.27Å; E64-R68 WeakPolarHBondContact O-CB 3.34Å; E64-R68 PolarHBondContact O-N 2.65Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 3.55Å; E64-R68 PolarHBondContact OE1-NH1 3.35Å; E64-R68 IonicContact OE1-NH2 3.96Å; E64-R68 PolarHBondContact OE1-NH2 2.82Å
65A85.2Confident85.5Confident43 Ų43100.6 Ų100.636%0.35548%0.484SS..Hα-helixtrans-66.1-39.9177.100000112.6I61 L62 R63 R68 R69I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.99Å; I61-A65 VanDerWaalsContact O-N 3.08Å; L62-A65 WeakPolarHBondContact O-CB 3.48Å; L62-A65 PolarHBondContact O-N 3.4Å; L62-A65 VanDerWaalsContact O-N 3.14Å; R63-A65 VanDerWaalsContact C-N 3.34Å; A65-R68 PolarHBondContact O-N 3Å; A65-R69 WeakPolarHBondContact O-CG 3.48Å; A65-R69 PolarHBondContact O-N 3.02Å
66E87.4Confident85.9Confident139 Ų139105.2 Ų105.265%0.6550%0.498SS*.Hα-helixtrans-66.5-47.2174-73.1-175.9159.300112.1L62 R63 R68 R69 S70L62-E66 PolarHBondContact O-N 3.09Å; R63-E66 PolarHBondContact O-N 2.88Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.47Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.19Å; E66-S70 PolarHBondContact O-N 3.26Å
67Q89.9Confident86.3Confident102 Ų102105 Ų10548%0.47749%0.487SS..Hα-helixtrans-58.3-39.9174.8-72.5179.99.100112.1R63 R69 S70 K71R63-Q67 WeakPolarHBondContact O-CG 3.44Å; R63-Q67 PolarHBondContact O-N 3.44Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-S70 PolarHBondContact O-N 3.39Å; Q67-K71 WeakPolarHBondContact O-CB 3.14Å; Q67-K71 VanDerWaalsContact O-CG 3.29Å; Q67-K71 WeakPolarHBondContact O-CG 3.34Å; Q67-K71 PolarHBondContact O-N 3.3Å
68R84.7Confident86.4Confident138 Ų138104.7 Ų104.752%0.52149%0.485SS..Hα-helixtrans-67-32175.8-172177.4-83.4110.2-4.5111.9E64 A65 E66 L72E64-R68 VanDerWaalsContact O-CB 3.27Å; E64-R68 WeakPolarHBondContact O-CB 3.34Å; E64-R68 PolarHBondContact O-N 2.65Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 3.55Å; E64-R68 PolarHBondContact OE1-NH1 3.35Å; E64-R68 IonicContact OE1-NH2 3.96Å; E64-R68 PolarHBondContact OE1-NH2 2.82Å; A65-R68 PolarHBondContact O-N 3Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.47Å; R68-L72 HydrophobicContact CG-CD1 4.42Å; R68-L72 WeakPolarHBondContact O-CB 3.32Å; R68-L72 WeakPolarHBondContact O-CD1 3.48Å; R68-L72 VanDerWaalsContact O-CG 3.27Å; R68-L72 WeakPolarHBondContact O-CG 3.44Å; R68-L72 PolarHBondContact O-N 3.25Å
69R83.3Confident86.3Confident190 Ų190106.2 Ų106.272%0.71750%0.496SS*.Hα-helixtrans-69.1-49.8171.8-74.8177.3179-150.82112A65 E66 Q67 K71 L72 E73A65-R69 WeakPolarHBondContact O-CG 3.48Å; A65-R69 PolarHBondContact O-N 3.02Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.19Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; R69-K71 PolarHBondContact O-N 3.43Å; R69-L72 PolarHBondContact O-N 3.05Å; R69-L72 VanDerWaalsContact O-N 3.16Å; R69-E73 PolarHBondContact O-N 3.28Å
70S88.3Confident86.7Confident62 Ų62106.8 Ų106.843%0.43450%0.497SS..Hα-helixtrans-56.2-48.6178.7-167.50000111.5E66 Q67 L72 E73 E74E66-S70 PolarHBondContact O-N 3.26Å; Q67-S70 PolarHBondContact O-N 3.39Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 2.88Å; S70-E73 WeakPolarHBondContact O-CB 3.19Å; S70-E73 PolarHBondContact O-N 2.84Å; S70-E74 PolarHBondContact O-N 3.41Å; S70-E74 PolarHBondContact OG-OE1 2.84Å
71K90.1Very high86.8Confident132 Ų132107.7 Ų107.757%0.57450%0.501SS*.Hα-helixtrans-57.8-42.4177.5-72.9170.9-179.6175.10112.7Q67 R69 E73 E75Q67-K71 WeakPolarHBondContact O-CB 3.14Å; Q67-K71 VanDerWaalsContact O-CG 3.29Å; Q67-K71 WeakPolarHBondContact O-CG 3.34Å; Q67-K71 PolarHBondContact O-N 3.3Å; R69-K71 PolarHBondContact O-N 3.43Å; K71-E73 VanDerWaalsContact C-N 3.31Å; K71-E73 PolarHBondContact O-N 3.05Å; K71-E75 VanDerWaalsContact O-CB 3.23Å; K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 2.75Å
72L83.1Confident87.1Confident84 Ų84106.3 Ų106.344%0.4450%0.501SS..Hα-helixtrans-70.5-24.4176.9-75.3170000113.4R68 R69 S70 K76R68-L72 HydrophobicContact CG-CD1 4.42Å; R68-L72 WeakPolarHBondContact O-CB 3.32Å; R68-L72 WeakPolarHBondContact O-CD1 3.48Å; R68-L72 VanDerWaalsContact O-CG 3.27Å; R68-L72 WeakPolarHBondContact O-CG 3.44Å; R68-L72 PolarHBondContact O-N 3.25Å; R69-L72 PolarHBondContact O-N 3.05Å; R69-L72 VanDerWaalsContact O-N 3.16Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 2.88Å; L72-K76 VanDerWaalsContact O-CD 3.28Å; L72-K76 WeakPolarHBondContact O-CD 3.41Å; L72-K76 WeakPolarHBondContact O-CG 3.47Å; L72-K76 PolarHBondContact O-N 3.05Å
73E86.7Confident87.3Confident126 Ų126108.9 Ų108.959%0.58951%0.51SS*.Hα-helixtrans-79.4-50175.8-166.4130.1-125.600110.5R69 S70 K71 E75 K76 E77R69-E73 PolarHBondContact O-N 3.28Å; S70-E73 WeakPolarHBondContact O-CB 3.19Å; S70-E73 PolarHBondContact O-N 2.84Å; K71-E73 VanDerWaalsContact C-N 3.31Å; K71-E73 PolarHBondContact O-N 3.05Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.26Å; E73-K76 WeakPolarHBondContact O-CA 3.38Å; E73-K76 WeakPolarHBondContact O-CB 3.2Å; E73-K76 PolarHBondContact O-N 2.96Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 2.71Å
74E90.5Very high87.2Confident87 Ų87109 Ų10941%0.40752%0.515SS..Hα-helixtrans-54.4-43.2170.9-72.2174.5-131.100112.6S70 K76 E77 K78S70-E74 PolarHBondContact O-N 3.41Å; S70-E74 PolarHBondContact OG-OE1 2.84Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 2.76Å; E74-E77 PolarHBondContact O-N 3.43Å; E74-K78 WeakPolarHBondContact O-CB 3.48Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.37Å; E74-K78 PolarHBondContact O-N 3.01Å; E74-K78 IonicContact OE2-NZ 3.87Å; E74-K78 PolarHBondContact OE2-NZ 3.48Å
75E85Confident87Confident110 Ų110110.3 Ų110.351%0.51452%0.521SS..Hα-helixtrans-64.8-36.9177.5-173.6-178.4-168.700111.5K71 E73 N79K71-E75 VanDerWaalsContact O-CB 3.23Å; K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 PolarHBondContact O-N 2.75Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.26Å; E75-N79 VanDerWaalsContact O-CB 3.24Å; E75-N79 WeakPolarHBondContact O-CB 3.26Å; E75-N79 PolarHBondContact O-N 2.88Å; E75-N79 PolarHBondContact O-ND2 3.33Å
76K86.8Confident87Confident128 Ų128112.5 Ų112.556%0.55752%0.524SS*.Hα-helixtrans-67-38.2172.7-74.8165-170.41680111.7L72 E73 E74 N79 K80L72-K76 VanDerWaalsContact O-CD 3.28Å; L72-K76 WeakPolarHBondContact O-CD 3.41Å; L72-K76 WeakPolarHBondContact O-CG 3.47Å; L72-K76 PolarHBondContact O-N 3.05Å; E73-K76 WeakPolarHBondContact O-CA 3.38Å; E73-K76 WeakPolarHBondContact O-CB 3.2Å; E73-K76 PolarHBondContact O-N 2.96Å; E74-K76 VanDerWaalsContact C-N 3.32Å; E74-K76 PolarHBondContact O-N 2.76Å; K76-N79 PolarHBondContact O-N 3.2Å; K76-K80 VanDerWaalsContact O-CG 3.28Å; K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 2.87Å
77E89.5Confident86.8Confident111 Ų111114.3 Ų114.352%0.51953%0.525SS..Hα-helixtrans-69-46.1176.7-64-150.1136.200112.2E73 E74 N79 K80 L81E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 2.71Å; E74-E77 PolarHBondContact O-N 3.43Å; E77-N79 VanDerWaalsContact C-N 3.29Å; E77-N79 PolarHBondContact O-N 3.22Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 PolarHBondContact O-N 3.27Å; E77-L81 PolarHBondContact O-N 2.89Å
78K88.3Confident86.5Confident130 Ų130111.8 Ų111.857%0.56552%0.522SS*.Hα-helixtrans-55.1-44.4171.5-73.2164.1-178.9159.60111E74 L81 A82E74-K78 WeakPolarHBondContact O-CB 3.48Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.37Å; E74-K78 PolarHBondContact O-N 3.01Å; E74-K78 IonicContact OE2-NZ 3.87Å; E74-K78 PolarHBondContact OE2-NZ 3.48Å; K78-L81 PolarHBondContact O-N 3.39Å; K78-A82 WeakPolarHBondContact O-CB 3.31Å; K78-A82 PolarHBondContact O-N 3.04Å
79N82.6Confident86.3Confident83 Ų83111.2 Ų111.244%0.44453%0.525SS..Hα-helixtrans-67.9-32.1175.4-82-52.9000114.2E75 K76 E77 K83E75-N79 VanDerWaalsContact O-CB 3.24Å; E75-N79 WeakPolarHBondContact O-CB 3.26Å; E75-N79 PolarHBondContact O-N 2.88Å; E75-N79 PolarHBondContact O-ND2 3.33Å; K76-N79 PolarHBondContact O-N 3.2Å; E77-N79 VanDerWaalsContact C-N 3.29Å; E77-N79 PolarHBondContact O-N 3.22Å; N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 3.37Å
80K90Very high86.1Confident127 Ų127107.5 Ų107.555%0.55251%0.514SS*.Hα-helixtrans-67.1-47.2171.4-75.1166.8-176.6171.80110.7K76 E77 K83 Q84K76-K80 VanDerWaalsContact O-CG 3.28Å; K76-K80 WeakPolarHBondContact O-CG 3.3Å; K76-K80 PolarHBondContact O-N 2.87Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 PolarHBondContact O-N 3.27Å; K80-K83 PolarHBondContact O-N 3Å; K80-Q84 WeakPolarHBondContact O-CG 3.5Å; K80-Q84 PolarHBondContact O-N 3.45Å
81L88.6Confident85.6Confident95 Ų95113.1 Ų113.150%0.49753%0.526SS..Hα-helixtrans-62.2-47179-77.9161.4000111.7E77 K78 K83 Q84 Q85E77-L81 PolarHBondContact O-N 2.89Å; K78-L81 PolarHBondContact O-N 3.39Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 3.04Å; L81-Q84 WeakPolarHBondContact O-CB 3.12Å; L81-Q84 PolarHBondContact O-N 3.47Å; L81-Q85 WeakPolarHBondContact O-CG 3.41Å; L81-Q85 PolarHBondContact O-N 3.16Å
82A89.6Confident85Confident49 Ų49114.6 Ų114.641%0.40553%0.532SS..Hα-helixtrans-56.6-45.1175.500000111.9K78 Q84 Q85 E86K78-A82 WeakPolarHBondContact O-CB 3.31Å; K78-A82 PolarHBondContact O-N 3.04Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.34Å; A82-Q85 PolarHBondContact O-N 2.9Å; A82-E86 WeakPolarHBondContact O-CB 3.25Å; A82-E86 PolarHBondContact O-N 3.04Å
83K87.3Confident84.3Confident130 Ų130118.1 Ų118.157%0.56554%0.544SS*.Hα-helixtrans-64.8-30.7175.1-75.9177.2179.2178.20113.7N79 K80 L81 R87N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 3.37Å; K80-K83 PolarHBondContact O-N 3Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 3.04Å; K83-R87 WeakPolarHBondContact O-CB 3.3Å; K83-R87 WeakPolarHBondContact O-CD 3.36Å; K83-R87 WeakPolarHBondContact O-CG 3.41Å; K83-R87 PolarHBondContact O-N 3.08Å
84Q85.5Confident83Confident127 Ų127118 Ų11859%0.59354%0.543SS*.Hα-helixtrans-72.2-43.2173.2-71.2-179.914.700111.4K80 L81 A82 R87 A88K80-Q84 WeakPolarHBondContact O-CG 3.5Å; K80-Q84 PolarHBondContact O-N 3.45Å; L81-Q84 WeakPolarHBondContact O-CB 3.12Å; L81-Q84 PolarHBondContact O-N 3.47Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.34Å; Q84-R87 PolarHBondContact O-N 3.28Å; Q84-A88 WeakPolarHBondContact O-CB 2.97Å; Q84-A88 PolarHBondContact O-N 3.06Å
85Q84.7Confident81.4Confident123 Ų123119.2 Ų119.258%0.57555%0.553SS**Hα-helixtrans-63.6-44.2176.5-70.1179.3-3.700112L81 A82 R87 A88 Q89L81-Q85 WeakPolarHBondContact O-CG 3.41Å; L81-Q85 PolarHBondContact O-N 3.16Å; A82-Q85 PolarHBondContact O-N 2.9Å; Q85-R87 VanDerWaalsContact C-N 3.33Å; Q85-R87 PolarHBondContact O-N 3.02Å; Q85-A88 PolarHBondContact O-N 2.83Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; Q85-Q89 WeakPolarHBondContact O-CG 3.23Å; Q85-Q89 PolarHBondContact O-N 3.49Å
86E84.9Confident79.8Confident90 Ų90117.9 Ų117.942%0.42156%0.556SS.*Hα-helixtrans-58.9-43.2175.4-166.7-152144.700111.6A82 Q89 K90A82-E86 WeakPolarHBondContact O-CB 3.25Å; A82-E86 PolarHBondContact O-N 3.04Å; E86-Q89 PolarHBondContact O-N 3.49Å; E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 3.45Å; E86-K90 PolarHBondContact OE1-NZ 3.15Å
87R82.6Confident78.1Confident177 Ų177116 Ų11667%0.66856%0.563SS**Hα-helixtrans-65-38.4174.5-74.4171.3177.9-165.4-2.3112.4K83 Q84 Q85 R91K83-R87 WeakPolarHBondContact O-CB 3.3Å; K83-R87 WeakPolarHBondContact O-CD 3.36Å; K83-R87 WeakPolarHBondContact O-CG 3.41Å; K83-R87 PolarHBondContact O-N 3.08Å; Q84-R87 PolarHBondContact O-N 3.28Å; Q85-R87 VanDerWaalsContact C-N 3.33Å; Q85-R87 PolarHBondContact O-N 3.02Å; R87-R91 WeakPolarHBondContact O-CG 3.5Å; R87-R91 PolarHBondContact O-N 3.39Å
88A84Confident76.2Confident49 Ų49114.6 Ų114.641%0.40557%0.566SS.*Hα-helixtrans-67.9-39175.500000112Q84 Q85 R91 K92Q84-A88 WeakPolarHBondContact O-CB 2.97Å; Q84-A88 PolarHBondContact O-N 3.06Å; Q85-A88 PolarHBondContact O-N 2.83Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; A88-R91 PolarHBondContact O-N 3.04Å; A88-K92 WeakPolarHBondContact O-CG 3.21Å; A88-K92 PolarHBondContact O-N 3.49Å
89Q80.6Confident74.1Confident126 Ų126118.8 Ų118.859%0.58958%0.578SS**Hα-helixtrans-66-41.6174.1-72.5-179.54.900112.1Q85 E86 K92 K93Q85-Q89 WeakPolarHBondContact O-CG 3.23Å; Q85-Q89 PolarHBondContact O-N 3.49Å; E86-Q89 PolarHBondContact O-N 3.49Å; Q89-K92 PolarHBondContact O-N 3.36Å; Q89-K93 PolarHBondContact O-N 2.94Å
90K80.1Confident72.2Confident112 Ų112122.5 Ų122.549%0.48760%0.598SS.*Hα-helixtrans-59-48.4173-79.7172.8170.6168.20111.6E86 K92 K93 E94E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 3.45Å; E86-K90 PolarHBondContact OE1-NZ 3.15Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.97Å; K90-K93 PolarHBondContact O-N 3.38Å; K90-K93 VanDerWaalsContact O-N 3.14Å; K90-E94 WeakPolarHBondContact O-CG 3.26Å; K90-E94 PolarHBondContact O-N 3.01Å
91R77Confident69.5Low180 Ų180121 Ų12168%0.67961%0.609SS**Hα-helixtrans-59.8-36.6173.6-73.2176.6176.1-173.1-2.4113.6R87 A88 N95R87-R91 WeakPolarHBondContact O-CG 3.5Å; R87-R91 PolarHBondContact O-N 3.39Å; A88-R91 PolarHBondContact O-N 3.04Å; R91-N95 WeakPolarHBondContact O-CB 3.49Å; R91-N95 PolarHBondContact O-N 2.68Å
92K77.8Confident66.9Low162 Ų162124.2 Ų124.270%0.70463%0.627SS**Hα-helixtrans-67.5-41.1174.5-76.9-174178-171.30111.9A88 Q89 K90 N95 S96A88-K92 WeakPolarHBondContact O-CG 3.21Å; A88-K92 PolarHBondContact O-N 3.49Å; Q89-K92 PolarHBondContact O-N 3.36Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.97Å; K92-N95 PolarHBondContact O-N 3.34Å; K92-S96 PolarHBondContact O-N 3.26Å; K92-S96 PolarHBondContact O-OG 2.89Å
93K68Low64.5Low158 Ų158127.1 Ų127.169%0.68764%0.642SS**Hα-helixtrans-65.4-40174.7-75.9-169.8173.4-171.60112.4Q89 K90 S96 A97Q89-K93 PolarHBondContact O-N 2.94Å; K90-K93 PolarHBondContact O-N 3.38Å; K90-K93 VanDerWaalsContact O-N 3.14Å; K93-S96 WeakPolarHBondContact CA-OG 3.4Å; K93-S96 PolarHBondContact O-N 2.84Å; K93-S96 PolarHBondContact O-OG 3.22Å; K93-A97 WeakPolarHBondContact O-CB 3.41Å; K93-A97 PolarHBondContact O-N 3.46Å; K93-A97 VanDerWaalsContact O-N 3.07Å
94E59.4Low61.8Low123 Ų123131.1 Ų131.158%0.57566%0.66SS**Hα-helixtrans-63.8-45174.3-72163.3177.800111.3K90 S96 A97 S98K90-E94 WeakPolarHBondContact O-CG 3.26Å; K90-E94 PolarHBondContact O-N 3.01Å; E94-S96 PolarHBondContact O-N 2.64Å; E94-A97 PolarHBondContact O-N 3.23Å; E94-S98 PolarHBondContact O-N 2.85Å; E94-S98 PolarHBondContact O-OG 2.88Å
95N57.1Low59.3Low114 Ų114129.9 Ų129.961%0.6167%0.671SS**Hα-helixtrans-69.6-25.4176.4-83.68.1000114.3R91 K92 S98R91-N95 WeakPolarHBondContact O-CB 3.49Å; R91-N95 PolarHBondContact O-N 2.68Å; K92-N95 PolarHBondContact O-N 3.34Å; N95-S98 PolarHBondContact O-OG 3.34Å
96S52.3Low56.9Low82 Ų82134.1 Ų134.157%0.57369%0.687SS**Hα-helixtrans-77.4-27.317154.70000112.7K92 K93 E94 S98K92-S96 PolarHBondContact O-N 3.26Å; K92-S96 PolarHBondContact O-OG 2.89Å; K93-S96 WeakPolarHBondContact CA-OG 3.4Å; K93-S96 PolarHBondContact O-N 2.84Å; K93-S96 PolarHBondContact O-OG 3.22Å; E94-S96 PolarHBondContact O-N 2.64Å; S96-S98 VanDerWaalsContact C-N 3.28Å; S96-S98 PolarHBondContact O-N 2.84Å
97A51Low54.4Low87 Ų87140 Ų14072%0.71971%0.712SS**THydrogen-bonded Turntrans-81.5-4177.200000113.7K93 E94K93-A97 WeakPolarHBondContact O-CB 3.41Å; K93-A97 PolarHBondContact O-N 3.46Å; K93-A97 VanDerWaalsContact O-N 3.07Å; E94-A97 PolarHBondContact O-N 3.23Å
98S48.1Very low51.9Low82 Ų82136.6 Ų136.657%0.57372%0.721SS**THydrogen-bonded Turntrans-116.629.1-176.367.80000113.5E94 N95 S96E94-S98 PolarHBondContact O-N 2.85Å; E94-S98 PolarHBondContact O-OG 2.88Å; N95-S98 PolarHBondContact O-OG 3.34Å; S96-S98 VanDerWaalsContact C-N 3.28Å; S96-S98 PolarHBondContact O-N 2.84Å
99R44.7Very low49.5Very low218 Ų218146 Ų14682%0.82375%0.746SS**SBendtrans-103.4-7.5174.9-81.5-170.3171.5-169.9-4.8115
100D42.9Very low47.3Very low161 Ų161149.7 Ų149.786%0.86176%0.76SS**SBendtrans-121.774174.2-68.7-63.5000111
101A32.5Very low44.8Very low95 Ų95153.2 Ų153.279%0.78578%0.778SS**  trans-168.6125.4160.100000111.3
102D34.1Very low42.7Very low163 Ų163152.5 Ų152.587%0.87279%0.787SS**  trans-70.1157.3180-105.1-50.9000114.2
103P39.3Very low40.7Very low111 Ų111149.7 Ų149.772%0.72179%0.785SS**  trans-93.6110.4-162.235-34000114.2
104K31.1Very low39.1Very low214 Ų214146.6 Ų146.693%0.9378%0.784SS**  trans-145.266.5162.2-121.9173.6-171.9174.70114
105A33.6Very low38.3Very low100 Ų100148.8 Ų148.883%0.82679%0.794SS**  trans-128.7106.4173.300000112.1
106K34.9Very low37.4Very low212 Ų212149.8 Ų149.892%0.92280%0.795SS**  trans-160.172.1167.2-115.5-176.8-168.5178.20113.5
107K30.8Very low36.9Very low215 Ų215149.3 Ų149.394%0.93579%0.789SS**SBendtrans-17998.5146.4-106171.8-178.3-178.40111.8
108A30.3Very low36.4Very low105 Ų105150.9 Ų150.987%0.86878%0.784SS**  trans164.688.7150.400000108.5
109R34.6Very low35.9Very low246 Ų246151.7 Ų151.793%0.92879%0.786SS**  trans-144.586.3176.7-163.5-176.2-169.9-167.94.9112.8
110K32.8Very low35.6Very low204 Ų204147.7 Ų147.789%0.88777%0.774SS**  trans-177.5126.3155.1-97.4169.7-179.9-175.80101.6
111E29.2Very low35.2Very low186 Ų186145.5 Ų145.587%0.86976%0.759SS**  cis-135.316040.1-63.5171.6159.400112.9
112L32.2Very low35.4Very low164 Ų164149.5 Ų149.586%0.85976%0.763SS**PPolyproline II helixtrans-103120171.2-84.9153000108.4
113P34.8Very low35.5Very low103 Ų103147.3 Ų147.367%0.66976%0.755SS**PPolyproline II helixtrans-72.4135.2172.829.1-32.7000110.7V117P113-V117 HydrophobicContact CB-CG2 4.11Å
114S36.3Very low35.4Very low93 Ų93149.4 Ų149.465%0.6575%0.753SS**PPolyproline II helixtrans-57.3157.5-176.9-55.30000114.1E116 V117S114-E116 PolarHBondContact O-N 2.88Å; S114-V117 PolarHBondContact O-N 2.83Å; S114-V117 VanDerWaalsContact O-N 3.13Å
115Q41.9Very low35.7Very low170 Ų170147.1 Ų147.179%0.79475%0.746SS**THydrogen-bonded Turntrans-56.8-10.8-175-71.7178.8-22.600115.8V117 L118Q115-V117 PolarHBondContact O-N 3.36Å; Q115-L118 PolarHBondContact O-N 3.23Å
116E38.3Very low36Very low134 Ų134147.2 Ų147.263%0.62674%0.74SS**Hα-helixtrans-59-28.7170.9-62-162.815300113.9S114 V119 K120S114-E116 PolarHBondContact O-N 2.88Å; E116-V119 PolarHBondContact O-N 2.84Å; E116-K120 WeakPolarHBondContact O-CB 3.48Å; E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 2.83Å
117V41.8Very low36.6Very low73 Ų73140.1 Ų140.144%0.44271%0.713SS.*Hα-helixtrans-68.9-35.9-178.9-179.10000111.9P113 S114 Q115 K120 Q121P113-V117 HydrophobicContact CB-CG2 4.11Å; S114-V117 PolarHBondContact O-N 2.83Å; S114-V117 VanDerWaalsContact O-N 3.13Å; Q115-V117 PolarHBondContact O-N 3.36Å; V117-K120 CarbonylContact O-C 3.52Å; V117-K120 PolarHBondContact O-N 2.87Å; V117-Q121 PolarHBondContact O-N 3.41Å
118L39.9Very low37.7Very low119 Ų119133.2 Ų133.262%0.62369%0.69SS**Hα-helixtrans-70.9-35.6177.7-84.1159.7000112.3Q115 Q121 M122Q115-L118 PolarHBondContact O-N 3.23Å; L118-Q121 PolarHBondContact O-N 3.42Å; L118-M122 PolarHBondContact O-N 3.29Å
119V37.8Very low38.8Very low100 Ų100135.8 Ų135.861%0.60668%0.677SS**Hα-helixtrans-71.5-38.5173.4-174.20000110.6E116 Q121 M122 V123E116-V119 PolarHBondContact O-N 2.84Å; V119-Q121 PolarHBondContact O-N 3.47Å; V119-M122 PolarHBondContact O-N 2.81Å; V119-V123 PolarHBondContact O-N 3.48Å
120K38Very low40.1Very low133 Ų133129.6 Ų129.658%0.57866%0.662SS**Hα-helixtrans-62.6-22.2169.9-80.2171.6176.9161.30113.3E116 V117 V123 K124E116-K120 WeakPolarHBondContact O-CB 3.48Å; E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 2.83Å; V117-K120 CarbonylContact O-C 3.52Å; V117-K120 PolarHBondContact O-N 2.87Å; K120-V123 CarbonylContact O-C 3.6Å; K120-K124 WeakPolarHBondContact O-CG 3.48Å; K120-K124 PolarHBondContact O-N 2.96Å
121Q35.4Very low42.2Very low116 Ų116122.7 Ų122.754%0.54264%0.64SS.*Hα-helixtrans-77.3-29.3173.2-88.4178.3-41.100113.9V117 L118 V119 V123V117-Q121 PolarHBondContact O-N 3.41Å; L118-Q121 PolarHBondContact O-N 3.42Å; V119-Q121 PolarHBondContact O-N 3.47Å; Q121-V123 VanDerWaalsContact C-N 3.33Å
122M35.7Very low44.6Very low178 Ų178116 Ų11688%0.87761%0.608SS**Hα-helixtrans-81.7-12.8172.6-62.6-170.281.300113.3L118 V119L118-M122 PolarHBondContact O-N 3.29Å; V119-M122 PolarHBondContact O-N 2.81Å
123V37.3Very low47Very low117 Ų117112.6 Ų112.671%0.70959%0.586SS**SBendtrans-113.511.7174.3-166.70000111.4V119 K120 Q121 Q125V119-V123 PolarHBondContact O-N 3.48Å; K120-V123 CarbonylContact O-C 3.6Å; Q121-V123 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.16Å
124K35.6Very low49.5Very low156 Ų156111.9 Ų111.968%0.67857%0.573SS**SBendtrans-69118.9164.1-103.9-180177.2-174.60107.2K120 S126K120-K124 WeakPolarHBondContact O-CG 3.48Å; K120-K124 PolarHBondContact O-N 2.96Å; K124-S126 PolarHBondContact O-N 2.88Å
125Q38.2Very low51.8Low166 Ų166109.1 Ų109.178%0.77655%0.551SS**  trans-41.7126.2179.1-64168.9-1.300110.2V123 D127V123-Q125 PolarHBondContact O-N 3.16Å; Q125-D127 PolarHBondContact O-N 2.98Å
126S40.4Very low54Low101 Ų101101.5 Ų101.571%0.70652%0.516SS*.  trans-56.5113.8169.352.20000107.9K124 P128K124-S126 PolarHBondContact O-N 2.88Å; S126-P128 WeakPolarHBondContact O-CD 3.38Å; S126-P128 VanDerWaalsContact O-N 3.13Å
127D46.4Very low56.4Low64 Ų6498 Ų9834%0.34251%0.507SS..  trans-54.7120.2178.4-172-34.6000108.3Q125 R129 N130 S131Q125-D127 PolarHBondContact O-N 2.98Å; D127-R129 PolarHBondContact O-N 3.01Å; D127-R129 VanDerWaalsContact OD1-CB 3.26Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.4Å; D127-R129 IonicContact OD1-CZ 3.34Å; D127-R129 PolarHBondContact OD1-N 3.35Å; D127-R129 IonicContact OD1-NE 3.16Å; D127-R129 PolarHBondContact OD1-NE 3.24Å; D127-R129 IonicContact OD1-NH2 2.7Å; D127-R129 IonicContact OD2-CZ 3.96Å; D127-R129 IonicContact OD2-NE 3.93Å; D127-R129 PolarHBondContact OD2-NE 3.13Å; D127-R129 VanDerWaalsContact OD2-NE 3.16Å; D127-R129 IonicContact OD2-NH2 2.65Å; D127-R129 PolarHBondContact OD2-NH2 2.81Å; D127-N130 WeakPolarHBondContact O-CB 3.32Å; D127-N130 PolarHBondContact O-N 2.7Å; D127-S131 PolarHBondContact O-N 2.76Å
128P53.8Low58.7Low70 Ų7095.2 Ų95.246%0.45549%0.489SS..Hα-helixtrans-59.1-22.6-175.722.2-32.7000112.3S126 S131 K132S126-P128 WeakPolarHBondContact O-CD 3.38Å; S126-P128 VanDerWaalsContact O-N 3.13Å; P128-S131 WeakPolarHBondContact CA-OG 3.49Å; P128-S131 PolarHBondContact O-N 2.8Å; P128-S131 PolarHBondContact O-OG 3.31Å; P128-K132 WeakPolarHBondContact O-CG 3.43Å; P128-K132 PolarHBondContact O-N 3.13Å
129R53.5Low61.2Low158 Ų15889.8 Ų89.860%0.59646%0.461SS*.Hα-helixtrans-63.2-40.8172.7-61.8176.5-69.2-178.21.8111.8D127 S131 K132 K133D127-R129 PolarHBondContact O-N 3.01Å; D127-R129 VanDerWaalsContact OD1-CB 3.26Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.4Å; D127-R129 IonicContact OD1-CZ 3.34Å; D127-R129 PolarHBondContact OD1-N 3.35Å; D127-R129 IonicContact OD1-NE 3.16Å; D127-R129 PolarHBondContact OD1-NE 3.24Å; D127-R129 IonicContact OD1-NH2 2.7Å; D127-R129 IonicContact OD2-CZ 3.96Å; D127-R129 IonicContact OD2-NE 3.93Å; D127-R129 PolarHBondContact OD2-NE 3.13Å; D127-R129 VanDerWaalsContact OD2-NE 3.16Å; D127-R129 IonicContact OD2-NH2 2.65Å; D127-R129 PolarHBondContact OD2-NH2 2.81Å; R129-S131 VanDerWaalsContact C-N 3.34Å; R129-S131 PolarHBondContact O-N 3.25Å; R129-K132 PolarHBondContact O-N 3.07Å; R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 2.95Å
130N63.1Low63.7Low117 Ų11787.6 Ų87.663%0.62645%0.445SS*.Hα-helixtrans-68.3-34.3178.3-159.89.4000111.5D127 H134D127-N130 WeakPolarHBondContact O-CB 3.32Å; D127-N130 PolarHBondContact O-N 2.7Å; N130-H134 PolarHBondContact O-N 3.18Å; N130-H134 VanDerWaalsContact O-N 3.16Å
131S76.2Confident66.2Low58 Ų5885.4 Ų85.441%0.40644%0.436SS..Hα-helixtrans-70.1-35.9173.162.10000113.1D127 P128 R129 H134 L135D127-S131 PolarHBondContact O-N 2.76Å; P128-S131 WeakPolarHBondContact CA-OG 3.49Å; P128-S131 PolarHBondContact O-N 2.8Å; P128-S131 PolarHBondContact O-OG 3.31Å; R129-S131 VanDerWaalsContact C-N 3.34Å; R129-S131 PolarHBondContact O-N 3.25Å; S131-H134 PolarHBondContact O-N 3.25Å; S131-L135 VanDerWaalsContact O-CG 3.3Å; S131-L135 WeakPolarHBondContact O-CG 3.36Å; S131-L135 PolarHBondContact O-N 3.37Å; S131-L135 VanDerWaalsContact O-N 3.15Å
132K79.8Confident69Low47 Ų4779.9 Ų79.920%0.20441%0.41CS..Hα-helixtrans-65-46.6176-72.9177.1-179.5-173.80111.1P128 R129 H134 L135 C136 V321 D340P128-K132 WeakPolarHBondContact O-CG 3.43Å; P128-K132 PolarHBondContact O-N 3.13Å; R129-K132 PolarHBondContact O-N 3.07Å; K132-H134 PolarHBondContact O-N 2.87Å; K132-L135 PolarHBondContact O-N 3.36Å; K132-L135 VanDerWaalsContact O-N 3.1Å; K132-C136 PolarHBondContact O-N 3.29Å; K132-C136 PolarHBondContact O-SG 3.31Å; K132-C136 VanDerWaalsContact O-SG 3.36Å; K132-V321 HydrophobicContact CB-CG1 4.36Å; K132-V321 HydrophobicContact CD-CG1 4.02Å; K132-V321 HydrophobicContact CG-CG1 3.99Å; K132-V321 HydrophobicContact CG-CG2 4.47Å; K132-D340 VanDerWaalsContact CE-OD2 3.23Å; K132-D340 WeakPolarHBondContact CE-OD2 3.42Å; K132-D340 IonicContact NZ-OD1 3.58Å; K132-D340 IonicContact NZ-OD2 2.65Å; K132-D340 PolarHBondContact NZ-OD2 3.17Å
133K83.3Confident71.7Confident92 Ų9272 Ų7240%0.437%0.372SS..Hα-helixtrans-56.8-44.2175.1-69.5179.6171.3-109.80112.9R129 L135 C136 S137 D478R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 2.95Å; K133-L135 PolarHBondContact O-N 3.47Å; K133-C136 PolarHBondContact O-N 3.38Å; K133-S137 PolarHBondContact O-N 3.37Å; K133-D478 WeakPolarHBondContact CD-OD1 3.44Å; K133-D478 VanDerWaalsContact CE-OD1 3.29Å; K133-D478 WeakPolarHBondContact CE-OD1 3.4Å; K133-D478 WeakPolarHBondContact CG-OD1 3.48Å; K133-D478 IonicContact NZ-OD1 2.69Å; K133-D478 PolarHBondContact NZ-OD1 3.35Å
134H86.1Confident74.2Confident87 Ų8771.9 Ų71.940%0.40337%0.367SS..Hα-helixtrans-58.4-44.9174.1-177.9-70.4000112.3N130 S131 K132 C136 S137 E138 R301N130-H134 PolarHBondContact O-N 3.18Å; N130-H134 VanDerWaalsContact O-N 3.16Å; S131-H134 PolarHBondContact O-N 3.25Å; K132-H134 PolarHBondContact O-N 2.87Å; H134-C136 PolarHBondContact O-N 3.13Å; H134-S137 PolarHBondContact O-N 3.4Å; H134-E138 VanDerWaalsContact CE1-CG 3.44Å; H134-E138 WeakPolarHBondContact CE1-CG 3.26Å; H134-E138 WeakPolarHBondContact O-CB 3.47Å; H134-E138 VanDerWaalsContact O-CG 3.3Å; H134-E138 WeakPolarHBondContact O-CG 3.42Å; H134-E138 PolarHBondContact O-N 3.19Å; H134-R301 PolarHBondContact CE1-O 2.87Å
135L85.8Confident76.9Confident35 Ų3566 Ų6618%0.18335%0.347CS..Hα-helixtrans-64.6-38.7179.3-65.7165.7000112.1S131 K132 K133 L139 P318 V321S131-L135 VanDerWaalsContact O-CG 3.3Å; S131-L135 WeakPolarHBondContact O-CG 3.36Å; S131-L135 PolarHBondContact O-N 3.37Å; S131-L135 VanDerWaalsContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 3.36Å; K132-L135 VanDerWaalsContact O-N 3.1Å; K133-L135 PolarHBondContact O-N 3.47Å; L135-L139 WeakPolarHBondContact O-CB 3.35Å; L135-L139 PolarHBondContact O-N 3.29Å; L135-P318 HydrophobicContact CB-CB 4.45Å; L135-P318 HydrophobicContact CD2-CB 3.52Å; L135-P318 HydrophobicContact CD2-CG 4.49Å; L135-V321 HydrophobicContact CB-CG2 3.99Å; L135-V321 HydrophobicContact CD1-CG2 4.12Å
136C87.4Confident79.5Confident10 Ų1058.2 Ų58.27%0.06831%0.311CS..Hα-helixtrans-66.3-45.3174.6-60.60000111.7K132 K133 H134 E138 L139 N140 V475K132-C136 PolarHBondContact O-N 3.29Å; K132-C136 PolarHBondContact O-SG 3.31Å; K132-C136 VanDerWaalsContact O-SG 3.36Å; K133-C136 PolarHBondContact O-N 3.38Å; H134-C136 PolarHBondContact O-N 3.13Å; C136-E138 PolarHBondContact O-N 2.86Å; C136-L139 PolarHBondContact O-N 2.99Å; C136-N140 VanDerWaalsContact O-CG 3.31Å; C136-N140 PolarHBondContact O-N 3.28Å; C136-N140 PolarHBondContact O-OD1 3.26Å; C136-V475 PolarHBondContact SG-O 2.89Å
137S88.9Confident81.9Confident61 Ų6155.4 Ų55.443%0.42729%0.288SS..Hα-helixtrans-60.5-43.4176-179.20000112.3K133 H134 N140 K141K133-S137 PolarHBondContact O-N 3.37Å; H134-S137 PolarHBondContact O-N 3.4Å; S137-N140 PolarHBondContact O-N 2.96Å; S137-K141 WeakPolarHBondContact O-CG 3.35Å; S137-K141 PolarHBondContact O-N 3.46Å
138E90.7Very high84.2Confident15 Ų1552.4 Ų52.47%0.0727%0.272CS..Hα-helixtrans-67-34175.8-72.2-69.2109.200112.7H134 C136 K141 V142 C302 F303 P318H134-E138 VanDerWaalsContact CE1-CG 3.44Å; H134-E138 WeakPolarHBondContact CE1-CG 3.26Å; H134-E138 WeakPolarHBondContact O-CB 3.47Å; H134-E138 VanDerWaalsContact O-CG 3.3Å; H134-E138 WeakPolarHBondContact O-CG 3.42Å; H134-E138 PolarHBondContact O-N 3.19Å; C136-E138 PolarHBondContact O-N 2.86Å; E138-K141 IonicContact OE1-NZ 3.02Å; E138-K141 PolarHBondContact OE1-NZ 3.28Å; E138-V142 PolarHBondContact O-N 3.02Å; E138-C302 WeakPolarHBondContact OE2-CA 3.49Å; E138-C302 VanDerWaalsContact OE2-CB 3.31Å; E138-C302 WeakPolarHBondContact OE2-CB 3.41Å; E138-F303 VanDerWaalsContact OE2-CD1 3.25Å; E138-F303 WeakPolarHBondContact OE2-CD1 3.07Å; E138-F303 PolarHBondContact OE2-N 3.44Å; E138-F303 VanDerWaalsContact OE2-N 3.08Å; E138-P318 HydrophobicContact CB-CG 3.81Å
139L91Very high86.1Confident4 Ų449 Ų492%0.02125%0.251CS..Hα-helixtrans-66.7-44.1174.1179.562.4000111.5L135 C136 K141 V142 I143 V271 P318 I320 L476L135-L139 WeakPolarHBondContact O-CB 3.35Å; L135-L139 PolarHBondContact O-N 3.29Å; C136-L139 PolarHBondContact O-N 2.99Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.94Å; L139-V142 WeakPolarHBondContact O-CA 3.3Å; L139-V142 WeakPolarHBondContact O-CB 3.13Å; L139-V142 PolarHBondContact O-N 3.12Å; L139-I143 HydrophobicContact CG-CD1 4.36Å; L139-I143 PolarHBondContact O-N 3Å; L139-I143 VanDerWaalsContact O-N 3.09Å; L139-V271 HydrophobicContact CD1-CB 4.43Å; L139-V271 HydrophobicContact CD1-CG1 3.88Å; L139-P318 HydrophobicContact CB-CG 4.34Å; L139-I320 HydrophobicContact CD2-CG1 3.97Å; L139-L476 HydrophobicContact CD2-CD2 3.63Å
140N90.8Very high88.2Confident54 Ų5441.6 Ų41.629%0.28922%0.223SC..Hα-helixtrans-62.3-39.7179.1-65.1-10.6000111.1C136 S137 V142 I143 D144 L476C136-N140 VanDerWaalsContact O-CG 3.31Å; C136-N140 PolarHBondContact O-N 3.28Å; C136-N140 PolarHBondContact O-OD1 3.26Å; S137-N140 PolarHBondContact O-N 2.96Å; N140-V142 VanDerWaalsContact C-N 3.25Å; N140-V142 PolarHBondContact O-N 3.21Å; N140-I143 WeakPolarHBondContact O-CA 3.43Å; N140-I143 WeakPolarHBondContact O-CB 3.15Å; N140-I143 PolarHBondContact O-N 2.96Å; N140-D144 VanDerWaalsContact O-CG 3.25Å; N140-D144 PolarHBondContact O-N 3.25Å; N140-L476 PolarHBondContact ND2-O 3.16Å
141K91.8Very high89.8Confident88 Ų8836 Ų3638%0.38319%0.193SC..Hα-helixtrans-57.5-34.3171.5-66.9171.1-161.2172.70113.5S137 E138 L139 A145 F303S137-K141 WeakPolarHBondContact O-CG 3.35Å; S137-K141 PolarHBondContact O-N 3.46Å; E138-K141 IonicContact OE1-NZ 3.02Å; E138-K141 PolarHBondContact OE1-NZ 3.28Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 2.94Å; K141-A145 WeakPolarHBondContact O-CB 3.17Å; K141-A145 PolarHBondContact O-N 2.94Å; K141-F303 HydrophobicContact CB-CD1 4.1Å; K141-F303 HydrophobicContact CB-CE1 3.9Å; K141-F303 HydrophobicContact CD-CD1 4.3Å; K141-F303 HydrophobicContact CD-CE1 3.71Å; K141-F303 HydrophobicContact CG-CE1 4.44Å
142V92.8Very high90.8Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-68.9-42.3173.51790000110.9E138 L139 N140 D144 A145 S146 F303 I315E138-V142 PolarHBondContact O-N 3.02Å; L139-V142 WeakPolarHBondContact O-CA 3.3Å; L139-V142 WeakPolarHBondContact O-CB 3.13Å; L139-V142 PolarHBondContact O-N 3.12Å; N140-V142 VanDerWaalsContact C-N 3.25Å; N140-V142 PolarHBondContact O-N 3.21Å; V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 3.16Å; V142-A145 PolarHBondContact O-N 3.4Å; V142-S146 VanDerWaalsContact O-CB 3.26Å; V142-S146 WeakPolarHBondContact O-CB 3.28Å; V142-S146 PolarHBondContact O-N 2.96Å; V142-S146 PolarHBondContact O-OG 2.85Å; V142-F303 HydrophobicContact CG2-CB 3.33Å; V142-F303 HydrophobicContact CG2-CG 4Å; V142-I315 HydrophobicContact CB-CG2 4.44Å; V142-I315 HydrophobicContact CG1-CB 4.2Å; V142-I315 HydrophobicContact CG1-CG2 3.98Å; V142-I315 HydrophobicContact CG2-CG2 3.83Å
143I92.1Very high91.5Very high13 Ų1331 Ų317%0.06716%0.164CC..Hα-helixtrans-61.4-40.1177.1-61.7166.9000110.5L139 N140 L166 V170 K177L139-I143 HydrophobicContact CG-CD1 4.36Å; L139-I143 PolarHBondContact O-N 3Å; L139-I143 VanDerWaalsContact O-N 3.09Å; N140-I143 WeakPolarHBondContact O-CA 3.43Å; N140-I143 WeakPolarHBondContact O-CB 3.15Å; N140-I143 PolarHBondContact O-N 2.96Å; I143-L166 HydrophobicContact CD1-CD1 3.39Å; I143-L166 HydrophobicContact CG1-CD1 4.11Å; I143-V170 HydrophobicContact CG2-CG2 4.11Å; I143-K177 WeakPolarHBondContact O-CE 3.38Å; I143-K177 PolarHBondContact O-NZ 3.17Å
144D91.1Very high92Very high114 Ų11427.1 Ų27.161%0.6115%0.147SC*.Hα-helixtrans-73.3-39.3179.4-61.9-27000112.7N140 V142 S146N140-D144 VanDerWaalsContact O-CG 3.25Å; N140-D144 PolarHBondContact O-N 3.25Å; V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 3.16Å; D144-S146 VanDerWaalsContact C-N 3.34Å; D144-S146 PolarHBondContact O-N 2.87Å
145A91.6Very high92.4Very high32 Ų3223 Ų2326%0.26413%0.129SC..Hα-helixtrans-79.4-10.7-17700000114.8K141 V142 K267 I315K141-A145 WeakPolarHBondContact O-CB 3.17Å; K141-A145 PolarHBondContact O-N 2.94Å; V142-A145 PolarHBondContact O-N 3.4Å; A145-K267 WeakPolarHBondContact O-CD 3.25Å; A145-I315 HydrophobicContact CB-CD1 4.05Å
146S92.9Very high92.7Very high3 Ų321.5 Ų21.52%0.02112%0.12CC..  trans-103.2144.4-171.7-57.20000113.6V142 D144 G269V142-S146 VanDerWaalsContact O-CB 3.26Å; V142-S146 WeakPolarHBondContact O-CB 3.28Å; V142-S146 PolarHBondContact O-N 2.96Å; V142-S146 PolarHBondContact O-OG 2.85Å; D144-S146 VanDerWaalsContact C-N 3.34Å; D144-S146 PolarHBondContact O-N 2.87Å; S146-G269 WeakPolarHBondContact OG-CA 3.4Å; S146-G269 PolarHBondContact OG-N 3.38Å
147D91.6Very high93Very high42 Ų4221.3 Ų21.323%0.22512%0.118CC..SBendtrans-85.8-35.3172.8-53.3-51.7000111.4K178 R262 L266 K267D147-K178 PolarHBondContact O-N 2.84Å; D147-R262 IonicContact OD1-CZ 3.44Å; D147-R262 IonicContact OD1-NH1 2.84Å; D147-R262 PolarHBondContact OD1-NH1 3.29Å; D147-R262 IonicContact OD2-NH1 2.67Å; D147-L266 HydrophobicContact CB-CD1 3.83Å; D147-K267 PolarHBondContact N-O 3.23Å; D147-K267 PolarHBondContact OD2-N 3.22Å
148I93.3Very high93.2Very high0 Ų018.4 Ų18.40%010%0.098CC..EExtended strand (participates in β ladder)trans-129.1134.7178.5-52.5-172.8000108.5V150 K178 L253 Y256 L266 K267 V268 G269 W439I148-V150 HydrophobicContact CG2-CG2 4.41Å; I148-K178 WeakPolarHBondContact CA-O 3.41Å; I148-K178 HydrophobicContact CG2-CB 4.5Å; I148-K178 WeakPolarHBondContact CG2-O 3.25Å; I148-L253 HydrophobicContact CD1-CD2 4.11Å; I148-Y256 HydrophobicContact CD1-CD1 3.52Å; I148-Y256 HydrophobicContact CD1-CE1 3.6Å; I148-Y256 HydrophobicContact CD1-CG 4.12Å; I148-Y256 HydrophobicContact CG1-CE1 4.19Å; I148-L266 HydrophobicContact CD1-CD1 4.12Å; I148-L266 HydrophobicContact CD1-CD2 3.8Å; I148-L266 HydrophobicContact CD1-CG 4.37Å; I148-L266 HydrophobicContact CG1-CD1 4.21Å; I148-K267 PolarHBondContact N-O 3.24Å; I148-V268 CarbonylContact O-C 3.58Å; I148-V268 WeakPolarHBondContact O-CA 3.45Å; I148-G269 PolarHBondContact O-N 3.31Å; I148-W439 HydrophobicContact CD1-CH2 3.67Å; I148-W439 HydrophobicContact CD1-CZ2 4.1Å; I148-W439 HydrophobicContact CG2-CH2 4.43Å; I148-W439 HydrophobicContact CG2-CZ2 4.37Å
149I95.4Very high93.2Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-104.1127.6174-58.1-61.7000108.4V170 K178 L179 L180 V271I149-V170 HydrophobicContact CB-CG1 4.46Å; I149-V170 HydrophobicContact CB-CG2 4.47Å; I149-V170 HydrophobicContact CG1-CG1 4.08Å; I149-V170 HydrophobicContact CG1-CG2 4.01Å; I149-V170 HydrophobicContact CG2-CG2 4.35Å; I149-K178 PolarHBondContact N-O 3.09Å; I149-L179 HydrophobicContact CB-CD1 3.9Å; I149-L179 HydrophobicContact CG2-CD1 3.72Å; I149-L179 CarbonylContact O-C 3.3Å; I149-L179 WeakPolarHBondContact O-CA 3.45Å; I149-L180 PolarHBondContact O-N 3.46Å; I149-V271 HydrophobicContact CG2-CB 4.36Å; I149-V271 HydrophobicContact CG2-CG1 4.08Å; I149-V271 HydrophobicContact CG2-CG2 3.35Å
150V96.7Very high93.1Very high2 Ų219.5 Ų19.51%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-114.1108.2176-169.10000108.8I148 I152 L180 L182 V268 G269 L270 V271I148-V150 HydrophobicContact CG2-CG2 4.41Å; V150-I152 HydrophobicContact CB-CD1 4.41Å; V150-I152 HydrophobicContact CG1-CD1 3.82Å; V150-L180 CarbonylContact C-O 3.55Å; V150-L180 VanDerWaalsContact CA-O 3.29Å; V150-L180 WeakPolarHBondContact CA-O 3.43Å; V150-L180 HydrophobicContact CG1-CB 4.32Å; V150-L180 HydrophobicContact CG1-CD2 4.07Å; V150-L180 HydrophobicContact CG1-CG 4.4Å; V150-L180 HydrophobicContact CG2-CB 4.19Å; V150-L180 HydrophobicContact CG2-CD2 4.02Å; V150-L182 HydrophobicContact CG1-CB 3.66Å; V150-L182 HydrophobicContact CG1-CD1 4.14Å; V150-V268 HydrophobicContact CG2-CG1 3.38Å; V150-G269 PolarHBondContact N-O 3.38Å; V150-L270 HydrophobicContact CB-CD2 3.85Å; V150-L270 HydrophobicContact CG2-CD2 4.15Å; V150-V271 PolarHBondContact O-N 3.32Å
151E96.8Very high93.1Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-83.2120.2175.9-169.7174.8-166.100110.3L153 R162 C163 L180 F181 L182 V271E151-L153 HydrophobicContact CG-CD2 4.02Å; E151-R162 WeakPolarHBondContact OE1-CA 3.12Å; E151-C163 PolarHBondContact OE1-N 3.43Å; E151-L180 PolarHBondContact N-O 2.94Å; E151-F181 HydrophobicContact CB-CD1 4.16Å; E151-F181 HydrophobicContact CB-CE1 4.42Å; E151-L182 PolarHBondContact O-N 2.66Å; E151-V271 HydrophobicContact CB-CG2 4.01Å; E151-V271 HydrophobicContact CG-CG2 4.32Å
152I96.3Very high93.1Very high0 Ų013.1 Ų13.10%07%0.074CC..EExtended strand (participates in β ladder)trans-91.4109.7-175.9-49.5-51.2000109.8V150 L182 N184 L270 V271 V276 K278 L281V150-I152 HydrophobicContact CB-CD1 4.41Å; V150-I152 HydrophobicContact CG1-CD1 3.82Å; I152-L182 HydrophobicContact CD1-CB 3.81Å; I152-L182 HydrophobicContact CD1-CD1 4.15Å; I152-L182 HydrophobicContact CD1-CD2 4.14Å; I152-L182 HydrophobicContact CD1-CG 4.26Å; I152-L182 HydrophobicContact CG2-CD2 4.46Å; I152-N184 HydrophobicContact CG2-CB 4.05Å; I152-L270 HydrophobicContact CD1-CD2 4.43Å; I152-L270 HydrophobicContact CG1-CB 4.47Å; I152-V271 PolarHBondContact N-O 2.93Å; I152-V276 HydrophobicContact CB-CG2 3.84Å; I152-V276 HydrophobicContact CG2-CB 4.24Å; I152-V276 HydrophobicContact CG2-CG2 3.77Å; I152-V276 WeakPolarHBondContact O-CB 3.15Å; I152-V276 WeakPolarHBondContact O-CG2 3.32Å; I152-K278 HydrophobicContact CB-CG 4.16Å; I152-K278 HydrophobicContact CG1-CG 3.89Å; I152-L281 HydrophobicContact CD1-CD1 4.21Å
153L95.3Very high93Very high0 Ų013.1 Ų13.10%07%0.074CC..EExtended strand (participates in β ladder)trans-99.2143179.9-52.9-179.6000110.7E151 C161 R162 F181 L182 L183 N184 L201E151-L153 HydrophobicContact CG-CD2 4.02Å; L153-C161 HydrophobicContact CB-CB 4.36Å; L153-C161 HydrophobicContact CD2-CB 3.98Å; L153-C161 WeakPolarHBondContact CD2-O 3.46Å; L153-R162 HydrophobicContact CD1-CG 4.02Å; L153-R162 HydrophobicContact CD2-CB 4.46Å; L153-R162 HydrophobicContact CD2-CG 3.63Å; L153-F181 HydrophobicContact CD1-CB 4.41Å; L153-F181 HydrophobicContact CD1-CD1 4.26Å; L153-F181 HydrophobicContact CD1-CG 4.21Å; L153-L182 PolarHBondContact N-O 3.43Å; L153-L183 HydrophobicContact CB-CD1 4.17Å; L153-N184 PolarHBondContact O-N 3.26Å; L153-L201 HydrophobicContact CD1-CD1 4.03Å; L153-L201 HydrophobicContact CD1-CD2 4.07Å
154D93.8Very high93Very high10 Ų1013.5 Ų13.55%0.0538%0.077CC..EExtended strand (participates in β ladder)trans-86.5119.1170.6-168.9-40.9000108.7R156 D157 C161 K185D154-R156 PolarHBondContact O-N 2.76Å; D154-R156 WeakPolarHBondContact OD1-CB 3.42Å; D154-R156 WeakPolarHBondContact OD1-CG 3.46Å; D154-R156 IonicContact OD1-CZ 2.7Å; D154-R156 PolarHBondContact OD1-N 2.93Å; D154-R156 IonicContact OD1-NE 3.79Å; D154-R156 PolarHBondContact OD1-NE 2.96Å; D154-R156 IonicContact OD1-NH2 2.8Å; D154-R156 IonicContact OD2-CZ 2.76Å; D154-R156 IonicContact OD2-NE 3.48Å; D154-R156 PolarHBondContact OD2-NE 3.17Å; D154-R156 IonicContact OD2-NH2 2.66Å; D154-R156 PolarHBondContact OD2-NH2 3.5Å; D154-D157 CarbonylContact O-C 3.48Å; D154-D157 VanDerWaalsContact O-C 3.3Å; D154-D157 PolarHBondContact O-N 2.84Å; D154-C161 VanDerWaalsContact CB-SG 3.59Å; D154-K185 WeakPolarHBondContact OD2-CD 3.3Å; D154-K185 WeakPolarHBondContact OD2-CE 3.35Å; D154-K185 IonicContact OD2-NZ 3.68Å; D154-K185 PolarHBondContact OD2-NZ 2.99Å
155A94.7Very high93Very high1 Ų111.4 Ų11.41%0.0086%0.064CC..THydrogen-bonded Turntrans-53.4-22.4-175.500000114.3L183 N184 I186 V189A155-L183 HydrophobicContact CB-CD1 4.17Å; A155-L183 HydrophobicContact CB-CG 3.99Å; A155-N184 VanDerWaalsContact CB-O 3.23Å; A155-N184 WeakPolarHBondContact CB-O 3.32Å; A155-N184 PolarHBondContact N-O 2.88Å; A155-I186 HydrophobicContact CB-CG2 4.19Å; A155-V189 HydrophobicContact CB-CG2 3.83Å
156R92.8Very high93Very high3 Ų39.9 Ų9.91%0.0115%0.052CC..THydrogen-bonded Turntrans-77.4-25.8-177.3-56.6177.2-71.2168.711.5113.5D154 L188 V189 W406 G408 Y413 H414 C415D154-R156 PolarHBondContact O-N 2.76Å; D154-R156 WeakPolarHBondContact OD1-CB 3.42Å; D154-R156 WeakPolarHBondContact OD1-CG 3.46Å; D154-R156 IonicContact OD1-CZ 2.7Å; D154-R156 PolarHBondContact OD1-N 2.93Å; D154-R156 IonicContact OD1-NE 3.79Å; D154-R156 PolarHBondContact OD1-NE 2.96Å; D154-R156 IonicContact OD1-NH2 2.8Å; D154-R156 IonicContact OD2-CZ 2.76Å; D154-R156 IonicContact OD2-NE 3.48Å; D154-R156 PolarHBondContact OD2-NE 3.17Å; D154-R156 IonicContact OD2-NH2 2.66Å; D154-R156 PolarHBondContact OD2-NH2 3.5Å; R156-L188 HydrophobicContact CG-CB 4.01Å; R156-V189 HydrophobicContact CB-CG2 4.18Å; R156-V189 HydrophobicContact CG-CG2 3.55Å; R156-W406 PolarHBondContact NH1-O 3.37Å; R156-G408 PolarHBondContact NH1-O 3.21Å; R156-Y413 HydrophobicContact CB-CD2 3.77Å; R156-Y413 HydrophobicContact CB-CE1 4.4Å; R156-Y413 HydrophobicContact CB-CE2 3.41Å; R156-Y413 VanDerWaalsContact CB-CE2 3.41Å; R156-Y413 HydrophobicContact CB-CG 4.37Å; R156-Y413 VanDerWaalsContact CB-O 3.29Å; R156-Y413 WeakPolarHBondContact CB-O 3.32Å; R156-Y413 HydrophobicContact CG-CE2 4.42Å; R156-Y413 VanDerWaalsContact CG-O 3.24Å; R156-Y413 WeakPolarHBondContact CG-O 3.47Å; R156-H414 CarbonylContact O-C 3.52Å; R156-H414 WeakPolarHBondContact O-CA 3.27Å; R156-C415 PolarHBondContact O-N 3.45Å
157D92.4Very high93Very high5 Ų59.8 Ų9.83%0.0275%0.051CC..SBendtrans-150.772.1174.5178.434.8000110.4D154 G160 C161 R334 L466 S468D154-D157 CarbonylContact O-C 3.48Å; D154-D157 VanDerWaalsContact O-C 3.3Å; D154-D157 PolarHBondContact O-N 2.84Å; D157-G160 PolarHBondContact O-N 2.78Å; D157-G160 PolarHBondContact OD1-N 2.88Å; D157-G160 WeakPolarHBondContact OD2-CA 3.49Å; D157-C161 PolarHBondContact O-N 3.41Å; D157-C161 VanDerWaalsContact O-N 3.09Å; D157-C161 PolarHBondContact O-SG 2.93Å; D157-R334 IonicContact OD2-CZ 3.96Å; D157-R334 IonicContact OD2-NE 3.37Å; D157-R334 IonicContact OD2-NH2 3.13Å; D157-R334 PolarHBondContact OD2-NH2 2.72Å; D157-L466 HydrophobicContact CB-CD2 4.49Å; D157-S468 WeakPolarHBondContact OD1-CB 3.24Å; D157-S468 PolarHBondContact OD1-OG 2.89Å
158P93.2Very high93Very high0 Ų010.5 Ų10.50%05%0.053CC..THydrogen-bonded Turntrans-66.6-46.5-170.4-2437.5000112.6G160 C161 R162 L183 W197 L201 C415P158-G160 VanDerWaalsContact C-N 3.34Å; P158-G160 PolarHBondContact O-N 3.29Å; P158-C161 WeakPolarHBondContact O-CA 3.45Å; P158-C161 PolarHBondContact O-N 3.1Å; P158-R162 PolarHBondContact O-N 3.14Å; P158-L183 HydrophobicContact CB-CD1 3.9Å; P158-L183 HydrophobicContact CG-CD1 3.74Å; P158-W197 HydrophobicContact CB-CD2 4.22Å; P158-W197 HydrophobicContact CB-CE3 4.12Å; P158-W197 HydrophobicContact CB-CZ3 4.5Å; P158-W197 HydrophobicContact CG-CB 4.5Å; P158-W197 HydrophobicContact CG-CD2 3.7Å; P158-W197 HydrophobicContact CG-CE3 4.12Å; P158-W197 HydrophobicContact CG-CG 3.86Å; P158-L201 HydrophobicContact CB-CD1 4.46Å; P158-C415 VanDerWaalsContact CD-SG 3.51Å
159L90.5Very high92.9Very high42 Ų4212.5 Ų12.522%0.227%0.069CC..G310 helixtrans-56.1-49.7175.5-74.1177.4000111C161 R162 W197 P471L159-C161 PolarHBondContact O-N 2.96Å; L159-C161 VanDerWaalsContact O-N 3.15Å; L159-R162 WeakPolarHBondContact O-CB 3.29Å; L159-R162 PolarHBondContact O-N 3.02Å; L159-W197 HydrophobicContact CB-CH2 4.45Å; L159-W197 HydrophobicContact CD1-CH2 3.65Å; L159-W197 HydrophobicContact CD1-CZ3 4.16Å; L159-W197 HydrophobicContact CD2-CZ3 4.27Å; L159-W197 HydrophobicContact CG-CH2 3.54Å; L159-W197 HydrophobicContact CG-CZ3 3.71Å; L159-P471 WeakPolarHBondContact O-CA 3.41Å
160G89.1Confident92.6Very high0 Ų012.6 Ų12.60%07%0.07CC..G310 helixtrans-63.5-20.9178.700000114.1D157 P158 R334 G470 T472D157-G160 PolarHBondContact O-N 2.78Å; D157-G160 PolarHBondContact OD1-N 2.88Å; D157-G160 WeakPolarHBondContact OD2-CA 3.49Å; P158-G160 VanDerWaalsContact C-N 3.34Å; P158-G160 PolarHBondContact O-N 3.29Å; G160-R334 VanDerWaalsContact C-CZ 3.44Å; G160-R334 VanDerWaalsContact C-NH2 3.3Å; G160-R334 PolarHBondContact O-NE 2.88Å; G160-R334 PolarHBondContact O-NH1 3.49Å; G160-R334 PolarHBondContact O-NH2 3.03Å; G160-R334 VanDerWaalsContact O-NH2 3.1Å; G160-G470 WeakPolarHBondContact CA-O 3.49Å; G160-T472 WeakPolarHBondContact O-CB 3.48Å; G160-T472 PolarHBondContact O-OG1 3.06Å
161C90.9Very high92.3Very high4 Ų414.8 Ų14.83%0.0278%0.081CC..G310 helixtrans-87.4-4.8173.6-640000114.5L153 D154 D157 P158 L159 F273 V276L153-C161 HydrophobicContact CB-CB 4.36Å; L153-C161 HydrophobicContact CD2-CB 3.98Å; L153-C161 WeakPolarHBondContact CD2-O 3.46Å; D154-C161 VanDerWaalsContact CB-SG 3.59Å; D157-C161 PolarHBondContact O-N 3.41Å; D157-C161 VanDerWaalsContact O-N 3.09Å; D157-C161 PolarHBondContact O-SG 2.93Å; P158-C161 WeakPolarHBondContact O-CA 3.45Å; P158-C161 PolarHBondContact O-N 3.1Å; L159-C161 PolarHBondContact O-N 2.96Å; L159-C161 VanDerWaalsContact O-N 3.15Å; C161-F273 VanDerWaalsContact O-CD2 3.24Å; C161-F273 WeakPolarHBondContact O-CD2 3.46Å; C161-F273 WeakPolarHBondContact O-CE2 3.36Å; C161-V276 HydrophobicContact CB-CG1 4.47Å
162R91.8Very high91.8Very high5 Ų522.2 Ų22.22%0.01911%0.114CC..  trans-82.4146.8173.6-74-179.663178.76.2112.4E151 L153 P158 L159 E167 E204 Y426 T472E151-R162 WeakPolarHBondContact OE1-CA 3.12Å; L153-R162 HydrophobicContact CD1-CG 4.02Å; L153-R162 HydrophobicContact CD2-CB 4.46Å; L153-R162 HydrophobicContact CD2-CG 3.63Å; P158-R162 PolarHBondContact O-N 3.14Å; L159-R162 WeakPolarHBondContact O-CB 3.29Å; L159-R162 PolarHBondContact O-N 3.02Å; R162-E167 IonicContact CZ-OE1 2.72Å; R162-E167 IonicContact CZ-OE2 3.53Å; R162-E167 IonicContact NE-OE1 2.78Å; R162-E167 PolarHBondContact NE-OE1 3.36Å; R162-E167 IonicContact NE-OE2 3.8Å; R162-E167 VanDerWaalsContact NH2-CD 3.32Å; R162-E167 IonicContact NH2-OE1 3.22Å; R162-E167 PolarHBondContact NH2-OE1 3.42Å; R162-E167 VanDerWaalsContact NH2-OE1 3.13Å; R162-E167 IonicContact NH2-OE2 2.74Å; R162-E167 PolarHBondContact NH2-OE2 3.42Å; R162-E204 IonicContact CZ-OE1 3.56Å; R162-E204 IonicContact CZ-OE2 2.84Å; R162-E204 IonicContact NH1-OE1 2.68Å; R162-E204 PolarHBondContact NH1-OE1 3.42Å; R162-E204 IonicContact NH1-OE2 3.67Å; R162-E204 PolarHBondContact NH1-OE2 3Å; R162-E204 IonicContact NH2-OE2 2.71Å; R162-E204 PolarHBondContact NH2-OE2 3.18Å; R162-Y426 PolarHBondContact NH2-OH 2.67Å; R162-T472 PolarHBondContact O-N 2.92Å; R162-T472 VanDerWaalsContact O-N 3.16Å
163C91.6Very high91Very high0 Ų023.7 Ų23.70%013%0.128CC..  trans-122.489175.9-178.80000110.8E151 Q165 L166 E167 F273 I320 G474E151-C163 PolarHBondContact OE1-N 3.43Å; C163-Q165 PolarHBondContact O-N 2.83Å; C163-L166 HydrophobicContact CB-CB 4Å; C163-L166 WeakPolarHBondContact O-CA 3.29Å; C163-L166 VanDerWaalsContact O-CB 3.32Å; C163-L166 WeakPolarHBondContact O-CB 3.46Å; C163-L166 PolarHBondContact O-N 2.74Å; C163-E167 PolarHBondContact O-N 3.09Å; C163-F273 HydrophobicContact CB-CE2 4.04Å; C163-F273 HydrophobicContact CB-CZ 4.01Å; C163-I320 HydrophobicContact CB-CD1 3.84Å; C163-G474 VanDerWaalsContact SG-CA 3.55Å
164P91.6Very high89.7Confident20 Ų2032.4 Ų32.413%0.1317%0.169CC..Hα-helixtrans-49.8-37.2-179.4-32.738.5000114.7L166 E167 E168 Y426 P471P164-L166 PolarHBondContact O-N 3.15Å; P164-E167 PolarHBondContact O-N 3.02Å; P164-E168 WeakPolarHBondContact O-CB 3.47Å; P164-E168 WeakPolarHBondContact O-CG 3.4Å; P164-E168 PolarHBondContact O-N 2.98Å; P164-Y426 HydrophobicContact CB-CE1 3.74Å; P164-P471 HydrophobicContact CG-CB 3.6Å; P164-P471 HydrophobicContact CG-CG 4.24Å
165Q91.7Very high88.5Confident71 Ų7134.9 Ų34.933%0.33220%0.197SC..Hα-helixtrans-63.6-30.1178.8-61.574.323.200112.3C163 A169 A473 L476C163-Q165 PolarHBondContact O-N 2.83Å; Q165-A169 VanDerWaalsContact O-CB 3.22Å; Q165-A169 WeakPolarHBondContact O-CB 3.32Å; Q165-A169 PolarHBondContact O-N 3.21Å; Q165-A473 VanDerWaalsContact OE1-CA 3.3Å; Q165-L476 HydrophobicContact CB-CD1 3.86Å; Q165-L476 WeakPolarHBondContact O-CD1 3.43Å
166L91.8Very high87.8Confident0 Ų040.9 Ų40.90%023%0.229CC..Hα-helixtrans-78.6-43.3178.7173.961.1000110.3I143 C163 P164 E168 A169 V170 V271 I320 L476I143-L166 HydrophobicContact CD1-CD1 3.39Å; I143-L166 HydrophobicContact CG1-CD1 4.11Å; C163-L166 HydrophobicContact CB-CB 4Å; C163-L166 WeakPolarHBondContact O-CA 3.29Å; C163-L166 VanDerWaalsContact O-CB 3.32Å; C163-L166 WeakPolarHBondContact O-CB 3.46Å; C163-L166 PolarHBondContact O-N 2.74Å; P164-L166 PolarHBondContact O-N 3.15Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-A169 PolarHBondContact O-N 2.67Å; L166-V170 HydrophobicContact CD1-CG2 4.2Å; L166-V170 VanDerWaalsContact O-CG2 3.31Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 2.9Å; L166-V271 HydrophobicContact CD2-CB 3.9Å; L166-V271 HydrophobicContact CD2-CG2 3.68Å; L166-I320 HydrophobicContact CD2-CD1 3.49Å; L166-I320 VanDerWaalsContact CD2-CD1 3.49Å; L166-I320 HydrophobicContact CD2-CG1 4.29Å; L166-L476 HydrophobicContact CB-CD1 4.08Å; L166-L476 HydrophobicContact CD1-CD2 4.38Å
167E92.8Very high87.6Confident1 Ų141.9 Ų41.91%0.00523%0.233CC..Hα-helixtrans-58.3-48.8174.1-54.7-177.8-127.100110R162 C163 P164 A169 V170 L171 L179 F181 Y426R162-E167 IonicContact CZ-OE1 2.72Å; R162-E167 IonicContact CZ-OE2 3.53Å; R162-E167 IonicContact NE-OE1 2.78Å; R162-E167 PolarHBondContact NE-OE1 3.36Å; R162-E167 IonicContact NE-OE2 3.8Å; R162-E167 VanDerWaalsContact NH2-CD 3.32Å; R162-E167 IonicContact NH2-OE1 3.22Å; R162-E167 PolarHBondContact NH2-OE1 3.42Å; R162-E167 VanDerWaalsContact NH2-OE1 3.13Å; R162-E167 IonicContact NH2-OE2 2.74Å; R162-E167 PolarHBondContact NH2-OE2 3.42Å; C163-E167 PolarHBondContact O-N 3.09Å; P164-E167 PolarHBondContact O-N 3.02Å; E167-A169 PolarHBondContact O-N 3.24Å; E167-V170 PolarHBondContact O-N 3.2Å; E167-L171 WeakPolarHBondContact O-CB 3.26Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 VanDerWaalsContact O-CG 3.23Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 2.95Å; E167-L179 HydrophobicContact CB-CD2 4.15Å; E167-L179 HydrophobicContact CG-CD2 3.97Å; E167-F181 WeakPolarHBondContact OE2-CZ 3.49Å; E167-Y426 HydrophobicContact CB-CE2 3.78Å; E167-Y426 PolarHBondContact OE1-OH 2.75Å; E167-Y426 PolarHBondContact OE2-OH 3.02Å
168E91Very high87.5Confident56 Ų5642.4 Ų42.426%0.26224%0.235SC..Hα-helixtrans-59.4-42.5173-76.8-171.8-127.600113.7P164 L166 V170 L171 K172 Y426P164-E168 WeakPolarHBondContact O-CB 3.47Å; P164-E168 WeakPolarHBondContact O-CG 3.4Å; P164-E168 PolarHBondContact O-N 2.98Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-L171 PolarHBondContact O-N 2.83Å; E168-K172 VanDerWaalsContact O-CB 3.31Å; E168-K172 WeakPolarHBondContact O-CB 3.31Å; E168-K172 VanDerWaalsContact O-CG 3.29Å; E168-K172 WeakPolarHBondContact O-CG 3.24Å; E168-K172 PolarHBondContact O-N 2.76Å; E168-K172 IonicContact OE2-NZ 2.64Å; E168-K172 PolarHBondContact OE2-NZ 2.96Å; E168-Y426 HydrophobicContact CG-CD1 4Å; E168-Y426 HydrophobicContact CG-CD2 3.7Å; E168-Y426 HydrophobicContact CG-CE2 4.36Å; E168-Y426 HydrophobicContact CG-CG 3.49Å; E168-Y426 VanDerWaalsContact CG-CG 3.49Å
169A90.3Very high87.5Confident42 Ų4242.4 Ų42.435%0.34724%0.235SC..Hα-helixtrans-67.8-34179.900000112.5Q165 L166 E167 G173 L476Q165-A169 VanDerWaalsContact O-CB 3.22Å; Q165-A169 WeakPolarHBondContact O-CB 3.32Å; Q165-A169 PolarHBondContact O-N 3.21Å; L166-A169 PolarHBondContact O-N 2.67Å; E167-A169 PolarHBondContact O-N 3.24Å; A169-G173 PolarHBondContact O-N 3.37Å; A169-G173 VanDerWaalsContact O-N 3.14Å; A169-L476 HydrophobicContact CB-CD1 4.08Å
170V90.8Very high87.8Confident3 Ų340.4 Ų40.42%0.01823%0.225CC..Hα-helixtrans-71.9-40.6173.7173.50000110.8I143 I149 L166 E167 E168 G173 K177I143-V170 HydrophobicContact CG2-CG2 4.11Å; I149-V170 HydrophobicContact CB-CG1 4.46Å; I149-V170 HydrophobicContact CB-CG2 4.47Å; I149-V170 HydrophobicContact CG1-CG1 4.08Å; I149-V170 HydrophobicContact CG1-CG2 4.01Å; I149-V170 HydrophobicContact CG2-CG2 4.35Å; L166-V170 HydrophobicContact CD1-CG2 4.2Å; L166-V170 VanDerWaalsContact O-CG2 3.31Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 2.9Å; E167-V170 PolarHBondContact O-N 3.2Å; E168-V170 VanDerWaalsContact C-N 3.34Å; V170-G173 PolarHBondContact O-N 3.4Å; V170-K177 HydrophobicContact CG1-CB 4.17Å
171L89.1Confident88.1Confident47 Ų4740.4 Ų40.425%0.24623%0.225CC..Hα-helixtrans-67.1-40.1178.3-76.5166000113.7E167 E168 G173 F205 Y426 L427 I431 M435E167-L171 WeakPolarHBondContact O-CB 3.26Å; E167-L171 WeakPolarHBondContact O-CD1 3.47Å; E167-L171 VanDerWaalsContact O-CG 3.23Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 2.95Å; E168-L171 PolarHBondContact O-N 2.83Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-F205 HydrophobicContact CD1-CZ 4.47Å; L171-Y426 HydrophobicContact CD1-CD2 3.95Å; L171-Y426 HydrophobicContact CD1-CE2 4.24Å; L171-L427 HydrophobicContact CD1-CD2 3.54Å; L171-I431 HydrophobicContact CD1-CG2 4.39Å; L171-I431 HydrophobicContact CD2-CG2 3.47Å; L171-I431 VanDerWaalsContact CD2-CG2 3.47Å; L171-M435 HydrophobicContact CD2-CE 3.44Å; L171-M435 VanDerWaalsContact CD2-CE 3.44Å; L171-M435 HydrophobicContact CD2-CG 4.44Å; L171-M435 HydrophobicContact CG-CE 4.32Å
172K85.9Confident88.4Confident157 Ų15740.3 Ų40.368%0.68322%0.224SC*.SBendtrans-83.2-9.9177.8-66.6165.2179.5170.40112.8E168E168-K172 VanDerWaalsContact O-CB 3.31Å; E168-K172 WeakPolarHBondContact O-CB 3.31Å; E168-K172 VanDerWaalsContact O-CG 3.29Å; E168-K172 WeakPolarHBondContact O-CG 3.24Å; E168-K172 PolarHBondContact O-N 2.76Å; E168-K172 IonicContact OE2-NZ 2.64Å; E168-K172 PolarHBondContact OE2-NZ 2.96Å
173G81.1Confident88.7Confident30 Ų3040.1 Ų40.131%0.30922%0.223SC..SBendtrans-78.7150.8-174.600000113.3A169 V170 L171 G175A169-G173 PolarHBondContact O-N 3.37Å; A169-G173 VanDerWaalsContact O-N 3.14Å; V170-G173 PolarHBondContact O-N 3.4Å; L171-G173 VanDerWaalsContact C-N 3.32Å; G173-G175 PolarHBondContact O-N 3.35Å
174E66.3Low88.8Confident184 Ų18440.2 Ų40.286%0.8622%0.224SC*.THydrogen-bonded Turntrans-65.4132.4176.7-62.6177.8-178.300111.2K177E174-K177 VanDerWaalsContact O-CE 3.3Å; E174-K177 WeakPolarHBondContact O-CE 3.18Å
175G68.8Low88.9Confident61 Ų6140.7 Ų40.763%0.62922%0.224SC*.THydrogen-bonded Turntrans118.914.2166.500000118.6G173 K177G173-G175 PolarHBondContact O-N 3.35Å; G175-K177 PolarHBondContact O-N 2.83Å; G175-K177 VanDerWaalsContact O-N 3.1Å
176N79.6Confident89Confident127 Ų12737.3 Ų37.368%0.67921%0.208SC*.  trans48.339177-67.69.9000114.2
177K89Confident89Confident24 Ų2438.2 Ų38.210%0.10421%0.213CC..PPolyproline II helixtrans-64.1135.3-177.2-63.4169.5-172.6168.60109.8I143 V170 E174 G175 M435I143-K177 WeakPolarHBondContact O-CE 3.38Å; I143-K177 PolarHBondContact O-NZ 3.17Å; V170-K177 HydrophobicContact CG1-CB 4.17Å; E174-K177 VanDerWaalsContact O-CE 3.3Å; E174-K177 WeakPolarHBondContact O-CE 3.18Å; G175-K177 PolarHBondContact O-N 2.83Å; G175-K177 VanDerWaalsContact O-N 3.1Å; K177-M435 VanDerWaalsContact O-CE 3.25Å; K177-M435 WeakPolarHBondContact O-CE 3.3Å
178K91.1Very high89Confident17 Ų1738.7 Ų38.77%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-87.9138.4177.3-62.2-57.4175.9-1690111.3D147 I148 I149 Y256 E434 M435 W439D147-K178 PolarHBondContact O-N 2.84Å; I148-K178 WeakPolarHBondContact CA-O 3.41Å; I148-K178 HydrophobicContact CG2-CB 4.5Å; I148-K178 WeakPolarHBondContact CG2-O 3.25Å; I149-K178 PolarHBondContact N-O 3.09Å; K178-Y256 HydrophobicContact CG-CE2 4.18Å; K178-Y256 WeakPolarHBondContact CG-OH 3.42Å; K178-E434 PolarHBondContact NZ-O 2.92Å; K178-E434 IonicContact NZ-OE1 3.8Å; K178-E434 PolarHBondContact NZ-OE1 3.46Å; K178-M435 HydrophobicContact CB-SD 4.47Å; K178-M435 HydrophobicContact CD-SD 3.81Å; K178-W439 HydrophobicContact CB-CZ2 4.14Å
179L93.8Very high89.1Confident0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans-101.8134.9174.4-169.968.6000110.1I149 E167 F181 F205 M435I149-L179 HydrophobicContact CB-CD1 3.9Å; I149-L179 HydrophobicContact CG2-CD1 3.72Å; I149-L179 CarbonylContact O-C 3.3Å; I149-L179 WeakPolarHBondContact O-CA 3.45Å; E167-L179 HydrophobicContact CB-CD2 4.15Å; E167-L179 HydrophobicContact CG-CD2 3.97Å; L179-F181 HydrophobicContact CD2-CE1 4.3Å; L179-F205 HydrophobicContact CB-CD1 3.93Å; L179-F205 HydrophobicContact CB-CE1 3.92Å; L179-F205 HydrophobicContact CD2-CD1 4.13Å; L179-F205 HydrophobicContact CD2-CD2 4.1Å; L179-F205 HydrophobicContact CD2-CE1 3.82Å; L179-F205 HydrophobicContact CD2-CE2 3.78Å; L179-F205 HydrophobicContact CD2-CG 4.26Å; L179-F205 HydrophobicContact CD2-CZ 3.64Å; L179-F205 HydrophobicContact CG-CD1 4.35Å; L179-F205 HydrophobicContact CG-CE1 4.38Å; L179-M435 HydrophobicContact CB-CE 4.04Å; L179-M435 HydrophobicContact CB-SD 4.25Å; L179-M435 PolarHBondContact N-SD 2.88Å; L179-M435 VanDerWaalsContact N-SD 3.41Å
180L95.1Very high89.3Confident0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-128.9135.1178.3-173.777.2000109.4I149 V150 E151 P206 V208 L249 L252I149-L180 PolarHBondContact O-N 3.46Å; V150-L180 CarbonylContact C-O 3.55Å; V150-L180 VanDerWaalsContact CA-O 3.29Å; V150-L180 WeakPolarHBondContact CA-O 3.43Å; V150-L180 HydrophobicContact CG1-CB 4.32Å; V150-L180 HydrophobicContact CG1-CD2 4.07Å; V150-L180 HydrophobicContact CG1-CG 4.4Å; V150-L180 HydrophobicContact CG2-CB 4.19Å; V150-L180 HydrophobicContact CG2-CD2 4.02Å; E151-L180 PolarHBondContact N-O 2.94Å; L180-P206 HydrophobicContact CD1-CB 3.79Å; L180-P206 HydrophobicContact CD1-CG 4.38Å; L180-P206 WeakPolarHBondContact CD1-O 3.46Å; L180-V208 HydrophobicContact CD1-CG2 4.41Å; L180-V208 HydrophobicContact CD2-CG2 4.2Å; L180-L249 HydrophobicContact CD2-CD1 3.85Å; L180-L252 HydrophobicContact CD1-CD2 3.95Å; L180-L252 HydrophobicContact CD2-CD2 4.39Å
181F96.8Very high89.5Confident0 Ų038.2 Ų38.20%021%0.205CC..EExtended strand (participates in β ladder)trans-91.2140.3170.5-71.1-29.4000111.3E151 L153 E167 L179 L201 E204 F205 P206 A207 V208E151-F181 HydrophobicContact CB-CD1 4.16Å; E151-F181 HydrophobicContact CB-CE1 4.42Å; L153-F181 HydrophobicContact CD1-CB 4.41Å; L153-F181 HydrophobicContact CD1-CD1 4.26Å; L153-F181 HydrophobicContact CD1-CG 4.21Å; E167-F181 WeakPolarHBondContact OE2-CZ 3.49Å; L179-F181 HydrophobicContact CD2-CE1 4.3Å; F181-L201 HydrophobicContact CD2-CB 4.1Å; F181-L201 HydrophobicContact CD2-CD2 3.85Å; F181-L201 HydrophobicContact CD2-CG 4.47Å; F181-L201 HydrophobicContact CE2-CD2 3.9Å; F181-E204 HydrophobicContact CE2-CB 4.39Å; F181-F205 HydrophobicContact CD2-CB 3.95Å; F181-F205 HydrophobicContact CD2-CD2 4.26Å; F181-F205 HydrophobicContact CE1-CD2 4.17Å; F181-F205 HydrophobicContact CE2-CB 4.08Å; F181-F205 AromaticContact CE2-CD2 3.53Å; F181-F205 HydrophobicContact CE2-CD2 3.53Å; F181-F205 HydrophobicContact CE2-CE2 4.45Å; F181-F205 HydrophobicContact CE2-CG 4.27Å; F181-F205 HydrophobicContact CG-CB 4.36Å; F181-F205 AromaticContact CZ-CD2 3.46Å; F181-F205 HydrophobicContact CZ-CD2 3.46Å; F181-F205 VanDerWaalsContact CZ-CD2 3.46Å; F181-F205 HydrophobicContact CZ-CE2 4.04Å; F181-F205 HydrophobicContact CZ-CG 4.37Å; F181-P206 PolarHBondContact N-O 3.12Å; F181-A207 HydrophobicContact CB-CB 3.98Å; F181-A207 CarbonylContact O-C 3.45Å; F181-A207 VanDerWaalsContact O-CA 3.32Å; F181-A207 WeakPolarHBondContact O-CA 3.38Å; F181-V208 PolarHBondContact O-N 3.47Å
182L97.3Very high89.7Confident1 Ų140.9 Ų40.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-130.1110.9173.5-169.3156.9000110.6V150 E151 I152 L153 N184 V208 F210 L249 L281V150-L182 HydrophobicContact CG1-CB 3.66Å; V150-L182 HydrophobicContact CG1-CD1 4.14Å; E151-L182 PolarHBondContact O-N 2.66Å; I152-L182 HydrophobicContact CD1-CB 3.81Å; I152-L182 HydrophobicContact CD1-CD1 4.15Å; I152-L182 HydrophobicContact CD1-CD2 4.14Å; I152-L182 HydrophobicContact CD1-CG 4.26Å; I152-L182 HydrophobicContact CG2-CD2 4.46Å; L153-L182 PolarHBondContact N-O 3.43Å; L182-N184 HydrophobicContact CD2-CB 3.99Å; L182-N184 PolarHBondContact O-N 3.35Å; L182-V208 WeakPolarHBondContact CA-O 3.46Å; L182-V208 HydrophobicContact CG-CB 4.49Å; L182-F210 HydrophobicContact CD1-CB 4.44Å; L182-F210 HydrophobicContact CD1-CG 4.48Å; L182-F210 HydrophobicContact CD2-CB 3.4Å; L182-F210 VanDerWaalsContact CD2-CB 3.4Å; L182-F210 HydrophobicContact CD2-CD1 4.25Å; L182-F210 HydrophobicContact CD2-CG 3.92Å; L182-F210 HydrophobicContact CG-CB 3.97Å; L182-F210 HydrophobicContact CG-CG 4.5Å; L182-L249 HydrophobicContact CD1-CD1 4.13Å; L182-L249 HydrophobicContact CD1-CD2 3.67Å; L182-L281 HydrophobicContact CD1-CD1 3.56Å; L182-L281 HydrophobicContact CD2-CD1 3.4Å; L182-L281 VanDerWaalsContact CD2-CD1 3.4Å; L182-L281 HydrophobicContact CG-CD1 4.14Å
183L96.9Very high90.1Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-87.596.4-177.4-165.566.3000109.4L153 A155 P158 I186 V194 W197 L198 L201 V208 F210L153-L183 HydrophobicContact CB-CD1 4.17Å; A155-L183 HydrophobicContact CB-CD1 4.17Å; A155-L183 HydrophobicContact CB-CG 3.99Å; P158-L183 HydrophobicContact CB-CD1 3.9Å; P158-L183 HydrophobicContact CG-CD1 3.74Å; L183-I186 HydrophobicContact CG-CG2 4.38Å; L183-I186 WeakPolarHBondContact O-CG2 2.95Å; L183-V194 HydrophobicContact CD2-CG1 4Å; L183-W197 HydrophobicContact CD2-CB 4.15Å; L183-L198 HydrophobicContact CB-CD2 4.41Å; L183-L198 HydrophobicContact CD2-CD2 3.94Å; L183-L198 HydrophobicContact CD2-CG 4.05Å; L183-L201 HydrophobicContact CD1-CD1 4.05Å; L183-V208 PolarHBondContact N-O 2.93Å; L183-F210 PolarHBondContact O-N 2.98Å
184N95.1Very high90.8Very high3 Ų332.7 Ų32.72%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-91.6160.4-176-171.728.5000112.5I152 L153 A155 L182 I186 F210 A212 V276I152-N184 HydrophobicContact CG2-CB 4.05Å; L153-N184 PolarHBondContact O-N 3.26Å; A155-N184 VanDerWaalsContact CB-O 3.23Å; A155-N184 WeakPolarHBondContact CB-O 3.32Å; A155-N184 PolarHBondContact N-O 2.88Å; L182-N184 HydrophobicContact CD2-CB 3.99Å; L182-N184 PolarHBondContact O-N 3.35Å; N184-I186 VanDerWaalsContact C-N 3.34Å; N184-F210 CarbonylContact C-O 3.55Å; N184-F210 WeakPolarHBondContact CA-O 3.14Å; N184-A212 PolarHBondContact OD1-N 2.7Å; N184-V276 PolarHBondContact ND2-O 3.06Å
185K92.8Very high92.1Very high29 Ų2927 Ų2713%0.12615%0.146CC..  trans63.932.4179.3-45.6-177.8-167.4167.20114.3D154 D187 L188 F210 N275 V276D154-K185 WeakPolarHBondContact OD2-CD 3.3Å; D154-K185 WeakPolarHBondContact OD2-CE 3.35Å; D154-K185 IonicContact OD2-NZ 3.68Å; D154-K185 PolarHBondContact OD2-NZ 2.99Å; K185-D187 PolarHBondContact O-N 3Å; K185-L188 HydrophobicContact CB-CD1 4.02Å; K185-L188 HydrophobicContact CB-CG 4.29Å; K185-L188 HydrophobicContact CD-CD1 4.06Å; K185-L188 PolarHBondContact O-N 3.34Å; K185-F210 PolarHBondContact N-O 3.25Å; K185-N275 PolarHBondContact NZ-O 3.44Å; K185-V276 WeakPolarHBondContact CE-O 3.42Å
186I94Very high93.4Very high0 Ų029.2 Ų29.20%014%0.139CC..G310 helixtrans-54.6-25.217959.5-179.4000113.7A155 L183 N184 L188 V189 V194 A209 F210 K211 T451 L452 V455 F457A155-I186 HydrophobicContact CB-CG2 4.19Å; L183-I186 HydrophobicContact CG-CG2 4.38Å; L183-I186 WeakPolarHBondContact O-CG2 2.95Å; N184-I186 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 3.07Å; I186-V189 PolarHBondContact O-N 2.91Å; I186-V194 HydrophobicContact CB-CG1 4.12Å; I186-V194 HydrophobicContact CB-CG2 4.3Å; I186-V194 HydrophobicContact CG2-CG1 3.73Å; I186-A209 HydrophobicContact CD1-CB 4.19Å; I186-F210 WeakPolarHBondContact CG1-O 3.44Å; I186-K211 HydrophobicContact CD1-CB 4.44Å; I186-K211 HydrophobicContact CG1-CB 4.12Å; I186-T451 HydrophobicContact CD1-CG2 3.85Å; I186-L452 HydrophobicContact CD1-CD2 4.46Å; I186-V455 HydrophobicContact CD1-CG2 4.08Å; I186-V455 HydrophobicContact CG1-CG1 4.4Å; I186-V455 HydrophobicContact CG1-CG2 4.43Å; I186-F457 HydrophobicContact CB-CE1 4.32Å; I186-F457 WeakPolarHBondContact O-CD1 3.39Å; I186-F457 WeakPolarHBondContact O-CE1 3.36Å
187D92.1Very high94.1Very high19 Ų1923.3 Ų23.310%0.10211%0.107CC..G310 helixtrans-71.7-6.2175.459.2-61.8000115.8K185 K211 V455 P458K185-D187 PolarHBondContact O-N 3Å; D187-K211 HydrophobicContact CB-CD 3.77Å; D187-K211 WeakPolarHBondContact OD1-CD 3.5Å; D187-K211 IonicContact OD1-NZ 2.76Å; D187-K211 PolarHBondContact OD1-NZ 2.98Å; D187-K211 IonicContact OD2-NZ 2.83Å; D187-K211 PolarHBondContact OD2-NZ 3.46Å; D187-V455 HydrophobicContact CB-CG1 3.82Å; D187-P458 WeakPolarHBondContact O-CD 3.28Å
188L92Very high94.4Very high12 Ų1222.6 Ų22.66%0.06310%0.104CC..G310 helixtrans-95.3-1.1174.8-55.9-177.6000112.8R156 K185 I186 S412R156-L188 HydrophobicContact CG-CB 4.01Å; K185-L188 HydrophobicContact CB-CD1 4.02Å; K185-L188 HydrophobicContact CB-CG 4.29Å; K185-L188 HydrophobicContact CD-CD1 4.06Å; K185-L188 PolarHBondContact O-N 3.34Å; I186-L188 PolarHBondContact O-N 3.07Å; L188-S412 VanDerWaalsContact O-CA 3.3Å; L188-S412 WeakPolarHBondContact O-CA 3.42Å; L188-S412 VanDerWaalsContact O-CB 3.3Å; L188-S412 WeakPolarHBondContact O-CB 3.38Å; L188-S412 PolarHBondContact O-OG 3.02Å
189V94.3Very high94.5Very high0 Ų028 Ų280%013%0.129CC..SBendtrans-128.2140.6-170.7177.70000109.9A155 R156 I186 N193 V194 H414 F457 P458A155-V189 HydrophobicContact CB-CG2 3.83Å; R156-V189 HydrophobicContact CB-CG2 4.18Å; R156-V189 HydrophobicContact CG-CG2 3.55Å; I186-V189 PolarHBondContact O-N 2.91Å; V189-N193 HydrophobicContact CG1-CB 3.93Å; V189-V194 HydrophobicContact CB-CG2 3.73Å; V189-V194 HydrophobicContact CG1-CG2 3.62Å; V189-H414 HydrophobicContact CG1-CB 3.89Å; V189-H414 HydrophobicContact CG2-CB 4.4Å; V189-F457 VanDerWaalsContact O-CD1 3.25Å; V189-F457 WeakPolarHBondContact O-CD1 3.43Å; V189-P458 WeakPolarHBondContact O-CD 3.4Å
190P94.6Very high94.4Very high4 Ų428.6 Ų28.63%0.02613%0.133CC..  trans-58.1139.7175.9-24.935.4000112.2E192 N193 V194 Q460P190-E192 PolarHBondContact O-N 3.35Å; P190-N193 WeakPolarHBondContact O-CB 3.3Å; P190-N193 PolarHBondContact O-N 2.94Å; P190-V194 PolarHBondContact O-N 3.49Å; P190-Q460 HydrophobicContact CB-CB 4.46Å; P190-Q460 HydrophobicContact CG-CB 4.41Å; P190-Q460 HydrophobicContact CG-CG 4.46Å
191K94.4Very high94.3Very high87 Ų8728.7 Ų28.738%0.37813%0.134SC..Hα-helixtrans-48.5-53.1-172.9-175.2-179.4159.5-1740113.2N193 V194 E195 F457K191-N193 PolarHBondContact O-N 2.93Å; K191-N193 VanDerWaalsContact O-N 3.16Å; K191-V194 WeakPolarHBondContact O-CA 3.38Å; K191-V194 WeakPolarHBondContact O-CB 3.24Å; K191-V194 PolarHBondContact O-N 2.83Å; K191-E195 VanDerWaalsContact CE-CD 3.49Å; K191-E195 WeakPolarHBondContact CE-OE1 3.22Å; K191-E195 IonicContact NZ-OE1 3.22Å; K191-E195 PolarHBondContact O-N 3.26Å; K191-F457 HydrophobicContact CB-CB 4.25Å; K191-F457 HydrophobicContact CB-CD1 4.32Å; K191-F457 HydrophobicContact CB-CD2 3.51Å; K191-F457 HydrophobicContact CB-CE2 3.84Å; K191-F457 HydrophobicContact CB-CG 3.76Å; K191-F457 HydrophobicContact CB-CZ 4.39Å; K191-F457 HydrophobicContact CD-CD2 4.08Å; K191-F457 HydrophobicContact CD-CE2 3.94Å; K191-F457 HydrophobicContact CG-CD2 3.8Å; K191-F457 HydrophobicContact CG-CE2 3.62Å; K191-F457 HydrophobicContact CG-CG 4.46Å; K191-F457 HydrophobicContact CG-CZ 4.17Å
192E93.4Very high94.1Very high103 Ų10331.2 Ų31.248%0.48115%0.146SC..Hα-helixtrans-55-34.2-179.7-62.3161.1-147.200113.1P190 K196P190-E192 PolarHBondContact O-N 3.35Å; E192-K196 VanDerWaalsContact O-CG 3.27Å; E192-K196 WeakPolarHBondContact O-CG 3.49Å; E192-K196 PolarHBondContact O-N 2.88Å; E192-K196 VanDerWaalsContact O-N 3.1Å
193N94.1Very high93.8Very high14 Ų1435.6 Ų35.68%0.07517%0.169CC..Hα-helixtrans-78-34.8179.9-164.674.7000110.9V189 P190 K191 W197 C415V189-N193 HydrophobicContact CG1-CB 3.93Å; P190-N193 WeakPolarHBondContact O-CB 3.3Å; P190-N193 PolarHBondContact O-N 2.94Å; K191-N193 PolarHBondContact O-N 2.93Å; K191-N193 VanDerWaalsContact O-N 3.16Å; N193-W197 VanDerWaalsContact ND2-CD1 3.34Å; N193-W197 PolarHBondContact ND2-NE1 3.23Å; N193-W197 WeakPolarHBondContact O-CB 3.31Å; N193-W197 PolarHBondContact O-N 3.23Å; N193-C415 PolarHBondContact ND2-O 3.5Å; N193-C415 PolarHBondContact OD1-O 2.75Å
194V95.4Very high93.5Very high1 Ų136.3 Ų36.31%0.00617%0.172CC..Hα-helixtrans-63.9-43.7170.8-175.40000110.6L183 I186 V189 P190 K191 W197 L198 L452 F457L183-V194 HydrophobicContact CD2-CG1 4Å; I186-V194 HydrophobicContact CB-CG1 4.12Å; I186-V194 HydrophobicContact CB-CG2 4.3Å; I186-V194 HydrophobicContact CG2-CG1 3.73Å; V189-V194 HydrophobicContact CB-CG2 3.73Å; V189-V194 HydrophobicContact CG1-CG2 3.62Å; P190-V194 PolarHBondContact O-N 3.49Å; K191-V194 WeakPolarHBondContact O-CA 3.38Å; K191-V194 WeakPolarHBondContact O-CB 3.24Å; K191-V194 PolarHBondContact O-N 2.83Å; V194-W197 PolarHBondContact O-N 3.48Å; V194-L198 HydrophobicContact CG1-CD1 4.06Å; V194-L198 HydrophobicContact CG1-CG 4.4Å; V194-L198 WeakPolarHBondContact O-CG 3.17Å; V194-L198 PolarHBondContact O-N 3.07Å; V194-L452 HydrophobicContact CB-CD2 4.32Å; V194-L452 HydrophobicContact CG1-CD2 3.72Å; V194-F457 HydrophobicContact CG2-CE1 4.23Å
195E94.8Very high93.4Very high63 Ų6336.1 Ų36.129%0.29417%0.171SC..Hα-helixtrans-60.6-46.2177.7-72.9170.4152.700111.9K191 W197 L198 Q199 L452K191-E195 VanDerWaalsContact CE-CD 3.49Å; K191-E195 WeakPolarHBondContact CE-OE1 3.22Å; K191-E195 IonicContact NZ-OE1 3.22Å; K191-E195 PolarHBondContact O-N 3.26Å; E195-W197 PolarHBondContact O-N 2.89Å; E195-L198 PolarHBondContact O-N 3.16Å; E195-Q199 WeakPolarHBondContact O-CG 3.36Å; E195-Q199 PolarHBondContact O-N 3.46Å; E195-L452 HydrophobicContact CG-CD1 3.64Å
196K94.3Very high93.4Very high109 Ų10934.9 Ų34.947%0.47417%0.166SC..Hα-helixtrans-61.6-42.1174-70.1170.1-173.7-179.20112.4E192 Q199 C200 A417E192-K196 VanDerWaalsContact O-CG 3.27Å; E192-K196 WeakPolarHBondContact O-CG 3.49Å; E192-K196 PolarHBondContact O-N 2.88Å; E192-K196 VanDerWaalsContact O-N 3.1Å; K196-Q199 PolarHBondContact O-N 2.81Å; K196-C200 PolarHBondContact O-N 3.41Å; K196-C200 PolarHBondContact O-SG 3.39Å; K196-A417 HydrophobicContact CB-CB 3.75Å
197W94.9Very high93.5Very high2 Ų234.9 Ų34.91%0.00817%0.166CC..Hα-helixtrans-64.8-39.7176.3-84.6118.3000113P158 L159 L183 N193 V194 E195 C200 L201 C415 K416 A417 P418P158-W197 HydrophobicContact CB-CD2 4.22Å; P158-W197 HydrophobicContact CB-CE3 4.12Å; P158-W197 HydrophobicContact CB-CZ3 4.5Å; P158-W197 HydrophobicContact CG-CB 4.5Å; P158-W197 HydrophobicContact CG-CD2 3.7Å; P158-W197 HydrophobicContact CG-CE3 4.12Å; P158-W197 HydrophobicContact CG-CG 3.86Å; L159-W197 HydrophobicContact CB-CH2 4.45Å; L159-W197 HydrophobicContact CD1-CH2 3.65Å; L159-W197 HydrophobicContact CD1-CZ3 4.16Å; L159-W197 HydrophobicContact CD2-CZ3 4.27Å; L159-W197 HydrophobicContact CG-CH2 3.54Å; L159-W197 HydrophobicContact CG-CZ3 3.71Å; L183-W197 HydrophobicContact CD2-CB 4.15Å; N193-W197 VanDerWaalsContact ND2-CD1 3.34Å; N193-W197 PolarHBondContact ND2-NE1 3.23Å; N193-W197 WeakPolarHBondContact O-CB 3.31Å; N193-W197 PolarHBondContact O-N 3.23Å; V194-W197 PolarHBondContact O-N 3.48Å; E195-W197 PolarHBondContact O-N 2.89Å; W197-C200 PolarHBondContact O-N 3.21Å; W197-L201 WeakPolarHBondContact O-CB 3.29Å; W197-L201 VanDerWaalsContact O-CG 3.24Å; W197-L201 WeakPolarHBondContact O-CG 3.43Å; W197-L201 PolarHBondContact O-N 3.3Å; W197-C415 WeakPolarHBondContact CZ2-SG 3.47Å; W197-C415 PolarHBondContact NE1-O 3.44Å; W197-K416 VanDerWaalsContact CZ2-O 3.31Å; W197-K416 WeakPolarHBondContact CZ2-O 3.24Å; W197-A417 HydrophobicContact CD2-CB 4Å; W197-A417 HydrophobicContact CE3-CB 4.42Å; W197-A417 HydrophobicContact CG-CB 4.3Å; W197-A417 VanDerWaalsContact CZ2-CA 3.45Å; W197-A417 HydrophobicContact CZ2-CB 4.22Å; W197-P418 VanDerWaalsContact CH2-CD 3.49Å
198L94.6Very high93.7Very high9 Ų934 Ų345%0.04716%0.161CC..Hα-helixtrans-62.9-44.4174.1-70.7166.4000111L183 V194 E195 C200 L201 Q202 A207 A209 L452L183-L198 HydrophobicContact CB-CD2 4.41Å; L183-L198 HydrophobicContact CD2-CD2 3.94Å; L183-L198 HydrophobicContact CD2-CG 4.05Å; V194-L198 HydrophobicContact CG1-CD1 4.06Å; V194-L198 HydrophobicContact CG1-CG 4.4Å; V194-L198 WeakPolarHBondContact O-CG 3.17Å; V194-L198 PolarHBondContact O-N 3.07Å; E195-L198 PolarHBondContact O-N 3.16Å; L198-C200 PolarHBondContact O-N 2.85Å; L198-L201 PolarHBondContact O-N 3.31Å; L198-Q202 VanDerWaalsContact O-CB 3.25Å; L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 WeakPolarHBondContact O-CG 3.08Å; L198-Q202 PolarHBondContact O-N 3.38Å; L198-A207 HydrophobicContact CD2-CB 4.37Å; L198-A209 HydrophobicContact CD1-CB 3.97Å; L198-A209 HydrophobicContact CD2-CB 4.15Å; L198-L452 HydrophobicContact CD1-CD1 4.03Å; L198-L452 HydrophobicContact CD1-CD2 4.41Å
199Q92.9Very high93.9Very high130 Ų13033.4 Ų33.461%0.60716%0.158SC*.Hα-helixtrans-58-46.4175.3-71.7169.11.500111.9E195 K196E195-Q199 WeakPolarHBondContact O-CG 3.36Å; E195-Q199 PolarHBondContact O-N 3.46Å; K196-Q199 PolarHBondContact O-N 2.81Å
200C92.6Very high94Very high13 Ų1333.4 Ų33.49%0.08816%0.158CC..Hα-helixtrans-63-48177.1-63.10000112.5K196 W197 L198 L203 P421K196-C200 PolarHBondContact O-N 3.41Å; K196-C200 PolarHBondContact O-SG 3.39Å; W197-C200 PolarHBondContact O-N 3.21Å; L198-C200 PolarHBondContact O-N 2.85Å; C200-L203 WeakPolarHBondContact O-CB 3.4Å; C200-L203 PolarHBondContact O-N 2.98Å; C200-P421 HydrophobicContact CB-CB 4.31Å
201L93.2Very high93.9Very high2 Ų233.5 Ų33.51%0.0116%0.158CC..Hα-helixtrans-68.9-35.1-175.6-69.7170000112.6L153 P158 F181 L183 W197 L198 L203 E204 F205 A207L153-L201 HydrophobicContact CD1-CD1 4.03Å; L153-L201 HydrophobicContact CD1-CD2 4.07Å; P158-L201 HydrophobicContact CB-CD1 4.46Å; F181-L201 HydrophobicContact CD2-CB 4.1Å; F181-L201 HydrophobicContact CD2-CD2 3.85Å; F181-L201 HydrophobicContact CD2-CG 4.47Å; F181-L201 HydrophobicContact CE2-CD2 3.9Å; L183-L201 HydrophobicContact CD1-CD1 4.05Å; W197-L201 WeakPolarHBondContact O-CB 3.29Å; W197-L201 VanDerWaalsContact O-CG 3.24Å; W197-L201 WeakPolarHBondContact O-CG 3.43Å; W197-L201 PolarHBondContact O-N 3.3Å; L198-L201 PolarHBondContact O-N 3.31Å; L201-L203 PolarHBondContact O-N 3.26Å; L201-E204 PolarHBondContact O-N 2.6Å; L201-E204 VanDerWaalsContact O-N 3.07Å; L201-F205 PolarHBondContact O-N 3.3Å; L201-F205 VanDerWaalsContact O-N 3.13Å; L201-A207 HydrophobicContact CB-CB 3.92Å
202Q92.2Very high93.6Very high53 Ų5329.7 Ų29.725%0.24814%0.143CC..Hα-helixtrans-67.5-14.6178.8-75-179.2-13.800114.1L198 E204 F205 A207 Q436 N448L198-Q202 VanDerWaalsContact O-CB 3.25Å; L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 WeakPolarHBondContact O-CG 3.08Å; L198-Q202 PolarHBondContact O-N 3.38Å; Q202-E204 VanDerWaalsContact C-N 3.28Å; Q202-F205 WeakPolarHBondContact CA-O 3.36Å; Q202-A207 HydrophobicContact CG-CB 3.89Å; Q202-A207 PolarHBondContact NE2-O 2.93Å; Q202-Q436 PolarHBondContact O-NE2 3.48Å; Q202-N448 PolarHBondContact NE2-ND2 3.25Å; Q202-N448 VanDerWaalsContact NE2-ND2 3.17Å
203L90.8Very high93.1Very high93 Ų9325.8 Ų25.849%0.48713%0.127SC..THydrogen-bonded Turntrans-72-23.5170.9-64.6169.8000112.5C200 L201 P421 V432C200-L203 WeakPolarHBondContact O-CB 3.4Å; C200-L203 PolarHBondContact O-N 2.98Å; L201-L203 PolarHBondContact O-N 3.26Å; L203-P421 HydrophobicContact CD1-CB 3.8Å; L203-P421 HydrophobicContact CD1-CG 3.35Å; L203-V432 WeakPolarHBondContact O-CG1 3.31Å
204E91.1Very high91.9Very high16 Ų1629 Ų298%0.07515%0.147CC..THydrogen-bonded Turntrans-101.5-55.8-177-59.9179.1-120.500111R162 F181 L201 Q202 L423 P424 L427R162-E204 IonicContact CZ-OE1 3.56Å; R162-E204 IonicContact CZ-OE2 2.84Å; R162-E204 IonicContact NH1-OE1 2.68Å; R162-E204 PolarHBondContact NH1-OE1 3.42Å; R162-E204 IonicContact NH1-OE2 3.67Å; R162-E204 PolarHBondContact NH1-OE2 3Å; R162-E204 IonicContact NH2-OE2 2.71Å; R162-E204 PolarHBondContact NH2-OE2 3.18Å; F181-E204 HydrophobicContact CE2-CB 4.39Å; L201-E204 PolarHBondContact O-N 2.6Å; L201-E204 VanDerWaalsContact O-N 3.07Å; Q202-E204 VanDerWaalsContact C-N 3.28Å; E204-L423 HydrophobicContact CG-CD2 3.9Å; E204-P424 WeakPolarHBondContact OE2-CD 3.45Å; E204-P424 WeakPolarHBondContact OE2-CG 3.24Å; E204-L427 HydrophobicContact CB-CD1 4Å; E204-L427 HydrophobicContact CG-CD1 4.19Å
205F92.3Very high90.3Very high0 Ų034.3 Ų34.30%017%0.172CC..SBendtrans-142.9154.9-177.6-61.8-82.5000110.4L171 L179 F181 L201 Q202 A207 L427 M435L171-F205 HydrophobicContact CD1-CZ 4.47Å; L179-F205 HydrophobicContact CB-CD1 3.93Å; L179-F205 HydrophobicContact CB-CE1 3.92Å; L179-F205 HydrophobicContact CD2-CD1 4.13Å; L179-F205 HydrophobicContact CD2-CD2 4.1Å; L179-F205 HydrophobicContact CD2-CE1 3.82Å; L179-F205 HydrophobicContact CD2-CE2 3.78Å; L179-F205 HydrophobicContact CD2-CG 4.26Å; L179-F205 HydrophobicContact CD2-CZ 3.64Å; L179-F205 HydrophobicContact CG-CD1 4.35Å; L179-F205 HydrophobicContact CG-CE1 4.38Å; F181-F205 HydrophobicContact CD2-CB 3.95Å; F181-F205 HydrophobicContact CD2-CD2 4.26Å; F181-F205 HydrophobicContact CE1-CD2 4.17Å; F181-F205 HydrophobicContact CE2-CB 4.08Å; F181-F205 AromaticContact CE2-CD2 3.53Å; F181-F205 HydrophobicContact CE2-CD2 3.53Å; F181-F205 HydrophobicContact CE2-CE2 4.45Å; F181-F205 HydrophobicContact CE2-CG 4.27Å; F181-F205 HydrophobicContact CG-CB 4.36Å; F181-F205 AromaticContact CZ-CD2 3.46Å; F181-F205 HydrophobicContact CZ-CD2 3.46Å; F181-F205 VanDerWaalsContact CZ-CD2 3.46Å; F181-F205 HydrophobicContact CZ-CE2 4.04Å; F181-F205 HydrophobicContact CZ-CG 4.37Å; L201-F205 PolarHBondContact O-N 3.3Å; L201-F205 VanDerWaalsContact O-N 3.13Å; Q202-F205 WeakPolarHBondContact CA-O 3.36Å; F205-A207 PolarHBondContact O-N 3.09Å; F205-L427 HydrophobicContact CD2-CD1 4.42Å; F205-L427 HydrophobicContact CE2-CD1 3.57Å; F205-L427 HydrophobicContact CE2-CD2 4.12Å; F205-L427 HydrophobicContact CZ-CD1 3.97Å; F205-L427 HydrophobicContact CZ-CD2 3.7Å; F205-M435 HydrophobicContact CD1-CB 3.95Å; F205-M435 HydrophobicContact CD1-CG 4.17Å; F205-M435 HydrophobicContact CD1-SD 4.45Å; F205-M435 HydrophobicContact CE1-CB 4.01Å; F205-M435 HydrophobicContact CE1-CE 4.28Å; F205-M435 HydrophobicContact CE1-CG 3.77Å; F205-M435 HydrophobicContact CE1-SD 4.19Å
206P94.4Very high88.6Confident2 Ų236.1 Ų36.11%0.01318%0.181CC..  trans-59.9128.2176.5-10.121.7000109.8L180 F181 W439 L441 L444L180-P206 HydrophobicContact CD1-CB 3.79Å; L180-P206 HydrophobicContact CD1-CG 4.38Å; L180-P206 WeakPolarHBondContact CD1-O 3.46Å; F181-P206 PolarHBondContact N-O 3.12Å; P206-W439 HydrophobicContact CG-CB 4.31Å; P206-W439 VanDerWaalsContact CG-CD1 3.5Å; P206-W439 HydrophobicContact CG-CG 3.88Å; P206-L441 HydrophobicContact CB-CD2 4.23Å; P206-L441 HydrophobicContact CG-CD2 4.35Å; P206-L444 HydrophobicContact CB-CD2 3.65Å
207A95.5Very high86.6Confident0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-119.9125.7-174.200000111.9F181 L198 L201 Q202 F205 N448F181-A207 HydrophobicContact CB-CB 3.98Å; F181-A207 CarbonylContact O-C 3.45Å; F181-A207 VanDerWaalsContact O-CA 3.32Å; F181-A207 WeakPolarHBondContact O-CA 3.38Å; L198-A207 HydrophobicContact CD2-CB 4.37Å; L201-A207 HydrophobicContact CB-CB 3.92Å; Q202-A207 HydrophobicContact CG-CB 3.89Å; Q202-A207 PolarHBondContact NE2-O 2.93Å; F205-A207 PolarHBondContact O-N 3.09Å; A207-N448 PolarHBondContact O-ND2 2.88Å
208V96.1Very high84.7Confident0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-101.2128.9178.7-177.40000110.3L180 F181 L182 L183 L249 L252 L444L180-V208 HydrophobicContact CD1-CG2 4.41Å; L180-V208 HydrophobicContact CD2-CG2 4.2Å; F181-V208 PolarHBondContact O-N 3.47Å; L182-V208 WeakPolarHBondContact CA-O 3.46Å; L182-V208 HydrophobicContact CG-CB 4.49Å; L183-V208 PolarHBondContact N-O 2.93Å; V208-L249 HydrophobicContact CG1-CB 4.29Å; V208-L249 HydrophobicContact CG1-CD1 4.49Å; V208-L249 HydrophobicContact CG2-CD1 4.1Å; V208-L252 HydrophobicContact CG2-CD2 3.91Å; V208-L444 HydrophobicContact CB-CD1 4.47Å; V208-L444 HydrophobicContact CG2-CD1 3.74Å
209A96.5Very high82.8Confident0 Ų044.9 Ų44.90%022%0.224CC..EExtended strand (participates in β ladder)trans-78.5130.8170.200000110.1I186 L198 N448 T451I186-A209 HydrophobicContact CD1-CB 4.19Å; L198-A209 HydrophobicContact CD1-CB 3.97Å; L198-A209 HydrophobicContact CD2-CB 4.15Å; A209-N448 HydrophobicContact CB-CB 4.44Å; A209-N448 PolarHBondContact N-OD1 2.85Å; A209-T451 HydrophobicContact CB-CG2 4.28Å
210F95.4Very high80.9Confident0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-142.4144.8-175.3-163.1-95000114.1L182 L183 N184 K185 I186 A212 C243 Y244 L281 L285L182-F210 HydrophobicContact CD1-CB 4.44Å; L182-F210 HydrophobicContact CD1-CG 4.48Å; L182-F210 HydrophobicContact CD2-CB 3.4Å; L182-F210 VanDerWaalsContact CD2-CB 3.4Å; L182-F210 HydrophobicContact CD2-CD1 4.25Å; L182-F210 HydrophobicContact CD2-CG 3.92Å; L182-F210 HydrophobicContact CG-CB 3.97Å; L182-F210 HydrophobicContact CG-CG 4.5Å; L183-F210 PolarHBondContact O-N 2.98Å; N184-F210 CarbonylContact C-O 3.55Å; N184-F210 WeakPolarHBondContact CA-O 3.14Å; K185-F210 PolarHBondContact N-O 3.25Å; I186-F210 WeakPolarHBondContact CG1-O 3.44Å; F210-A212 HydrophobicContact CD1-CB 4.43Å; F210-A212 HydrophobicContact CE1-CB 3.97Å; F210-C243 VanDerWaalsContact CZ-SG 3.6Å; F210-Y244 WeakPolarHBondContact CD2-O 3.45Å; F210-L281 HydrophobicContact CD1-CD1 3.58Å; F210-L281 HydrophobicContact CD1-CG 4.04Å; F210-L281 HydrophobicContact CE1-CB 4.22Å; F210-L281 HydrophobicContact CE1-CD1 3.65Å; F210-L281 HydrophobicContact CE1-CG 3.55Å; F210-L281 HydrophobicContact CG-CD1 4.08Å; F210-L281 HydrophobicContact CZ-CD1 4.19Å; F210-L281 HydrophobicContact CZ-CG 3.86Å; F210-L285 HydrophobicContact CE2-CD2 3.83Å; F210-L285 HydrophobicContact CZ-CD2 3.89Å; F210-L285 HydrophobicContact CZ-CG 4.24Å
211K92.7Very high79.1Confident6 Ų646.1 Ų46.13%0.02624%0.24CC..BIsolated β-bridgetrans-127.9109.2168.7170163.6172.656.70110.1I186 D187 K239 C243 Y244 V455I186-K211 HydrophobicContact CD1-CB 4.44Å; I186-K211 HydrophobicContact CG1-CB 4.12Å; D187-K211 HydrophobicContact CB-CD 3.77Å; D187-K211 WeakPolarHBondContact OD1-CD 3.5Å; D187-K211 IonicContact OD1-NZ 2.76Å; D187-K211 PolarHBondContact OD1-NZ 2.98Å; D187-K211 IonicContact OD2-NZ 2.83Å; D187-K211 PolarHBondContact OD2-NZ 3.46Å; K211-K239 WeakPolarHBondContact CE-O 3.39Å; K211-K239 PolarHBondContact NZ-O 2.96Å; K211-C243 VanDerWaalsContact O-CA 3.29Å; K211-C243 WeakPolarHBondContact O-CA 3.23Å; K211-C243 PolarHBondContact O-SG 3.25Å; K211-C243 VanDerWaalsContact O-SG 3.4Å; K211-Y244 HydrophobicContact CB-CD2 4.08Å; K211-Y244 HydrophobicContact CD-CD2 3.68Å; K211-Y244 HydrophobicContact CD-CE2 3.99Å; K211-Y244 HydrophobicContact CG-CD2 4.02Å; K211-Y244 PolarHBondContact N-O 3.29Å; K211-Y244 PolarHBondContact O-N 2.92Å; K211-V455 HydrophobicContact CB-CG2 4.5Å; K211-V455 HydrophobicContact CD-CG1 4.47Å; K211-V455 HydrophobicContact CD-CG2 4.22Å
212A89.1Confident77.2Confident8 Ų848.9 Ų48.97%0.06625%0.253CS..  trans-67.4145.7168.200000111.8N184 F210 S284N184-A212 PolarHBondContact OD1-N 2.7Å; F210-A212 HydrophobicContact CD1-CB 4.43Å; F210-A212 HydrophobicContact CE1-CB 3.97Å; A212-S284 WeakPolarHBondContact CA-OG 3.26Å
213S82.6Confident75.4Confident21 Ų2152 Ų5215%0.14727%0.268CS..  trans-72.1140.4165.3-171.60000109.8G240 V241 S284S213-G240 PolarHBondContact OG-O 2.95Å; S213-V241 WeakPolarHBondContact CB-O 3.37Å; S213-V241 PolarHBondContact OG-O 3.32Å; S213-S284 PolarHBondContact N-OG 3.49Å; S213-S284 PolarHBondContact O-OG 3.26Å
214T67.8Low73.7Confident80 Ų8053.8 Ų53.849%0.49127%0.272SS..  trans-110.8-16.5-177.256.40000113G240 A409T214-G240 PolarHBondContact N-O 3.07Å; T214-G240 WeakPolarHBondContact OG1-CA 3.26Å; T214-G240 PolarHBondContact OG1-O 3.35Å; T214-A409 HydrophobicContact CG2-CB 3.99Å
215Q63.1Low71.9Confident113 Ų11357.1 Ų57.153%0.52829%0.286SS..SBendtrans-95.8118.7172.8-70.1-170.6-1.300110.4Q217 G240 V241Q215-Q217 PolarHBondContact O-N 3.4Å; Q215-G240 PolarHBondContact N-O 3.06Å; Q215-G240 VanDerWaalsContact N-O 3.14Å; Q215-V241 HydrophobicContact CB-CG2 4.46Å
216Q59.3Low70.1Confident102 Ų10260 Ų6048%0.47731%0.31SS..  trans-59.5124.5171.3-61.1-87.4-87.300108.9R289Q216-R289 VanDerWaalsContact OE1-CG 3.28Å
217Q52.4Low68.1Low68 Ų6868.9 Ų68.932%0.31834%0.343SS..  trans-102.8109.7170.4-59.1-1785.200108.2Q215 Q222 V241Q215-Q217 PolarHBondContact O-N 3.4Å; Q217-Q222 HydrophobicContact CB-CG 3.73Å; Q217-Q222 VanDerWaalsContact OE1-CG 3.27Å; Q217-V241 VanDerWaalsContact NE2-CG1 3.34Å
218D54.1Low65.9Low111 Ų11175.7 Ų75.759%0.59437%0.373SS*.  trans-68.2143.1165.6-66.5-41.7000108.7T220 V221 Q222D218-T220 PolarHBondContact O-N 3.2Å; D218-T220 VanDerWaalsContact O-N 3.13Å; D218-V221 HydrophobicContact CB-CG2 4.19Å; D218-V221 WeakPolarHBondContact O-CA 3.32Å; D218-V221 WeakPolarHBondContact O-CB 3.36Å; D218-V221 PolarHBondContact O-N 3.01Å; D218-Q222 PolarHBondContact O-N 3.02Å
219K54.8Low63.8Low124 Ų12478.4 Ų78.454%0.53940%0.396SS..Hα-helixtrans-53.3-38.9-177.8-70.9-172.9173.6-172.80112.8V221 Q222 E223K219-V221 PolarHBondContact O-N 3.35Å; K219-Q222 WeakPolarHBondContact O-CB 3.26Å; K219-Q222 PolarHBondContact O-N 3.17Å; K219-Q222 VanDerWaalsContact O-N 3.1Å; K219-E223 PolarHBondContact O-N 2.99Å
220T53.3Low61.7Low88 Ų8884.3 Ų84.354%0.5443%0.432SS..Hα-helixtrans-63.8-25.8176.2-41.70000113.4D218 K224D218-T220 PolarHBondContact O-N 3.2Å; D218-T220 VanDerWaalsContact O-N 3.13Å; T220-K224 VanDerWaalsContact O-CG 3.31Å; T220-K224 WeakPolarHBondContact O-CG 3.46Å; T220-K224 PolarHBondContact O-N 2.95Å
221V54.5Low59.5Low81 Ų8190.6 Ų90.649%0.49147%0.465SS..Hα-helixtrans-82.3-36173.6-179.50000110.4D218 K219 K225D218-V221 HydrophobicContact CB-CG2 4.19Å; D218-V221 WeakPolarHBondContact O-CA 3.32Å; D218-V221 WeakPolarHBondContact O-CB 3.36Å; D218-V221 PolarHBondContact O-N 3.01Å; K219-V221 PolarHBondContact O-N 3.35Å; V221-K225 VanDerWaalsContact O-CB 3.24Å; V221-K225 WeakPolarHBondContact O-CB 3.34Å; V221-K225 PolarHBondContact O-N 2.81Å
222Q53.8Low57Low61 Ų6195.8 Ų95.829%0.28549%0.493SS..Hα-helixtrans-61.7-51.1172.9-68.9179.4-3100111.8Q217 D218 K219 K224 K225 A226 G287Q217-Q222 HydrophobicContact CB-CG 3.73Å; Q217-Q222 VanDerWaalsContact OE1-CG 3.27Å; D218-Q222 PolarHBondContact O-N 3.02Å; K219-Q222 WeakPolarHBondContact O-CB 3.26Å; K219-Q222 PolarHBondContact O-N 3.17Å; K219-Q222 VanDerWaalsContact O-N 3.1Å; Q222-K224 VanDerWaalsContact C-N 3.3Å; Q222-K224 PolarHBondContact O-N 3.05Å; Q222-K225 PolarHBondContact O-N 3.46Å; Q222-K225 VanDerWaalsContact O-N 3.16Å; Q222-A226 WeakPolarHBondContact O-CB 3.32Å; Q222-A226 PolarHBondContact O-N 3.39Å; Q222-G287 PolarHBondContact NE2-O 3.15Å; Q222-G287 VanDerWaalsContact NE2-O 3.08Å
223E54.5Low54.9Low117 Ų11799.1 Ų99.155%0.54753%0.528SS..Hα-helixtrans-60.7-38.8180-71.3169.2-170.200112.2K219 R227K219-E223 PolarHBondContact O-N 2.99Å; E223-R227 VanDerWaalsContact O-CG 3.3Å; E223-R227 WeakPolarHBondContact O-CG 3.39Å; E223-R227 PolarHBondContact O-N 2.99Å
224K55Low53Low132 Ų132104.2 Ų104.257%0.57456%0.558SS**Hα-helixtrans-69.1-46173.4-72.8177.7-179.9-178.90111.4T220 Q222 A226 R227 F228T220-K224 VanDerWaalsContact O-CG 3.31Å; T220-K224 WeakPolarHBondContact O-CG 3.46Å; T220-K224 PolarHBondContact O-N 2.95Å; Q222-K224 VanDerWaalsContact C-N 3.3Å; Q222-K224 PolarHBondContact O-N 3.05Å; K224-A226 PolarHBondContact O-N 3.43Å; K224-R227 PolarHBondContact O-N 3.04Å; K224-F228 VanDerWaalsContact O-CD2 3.29Å; K224-F228 WeakPolarHBondContact O-CD2 3.44Å; K224-F228 PolarHBondContact O-N 3.17Å; K224-F228 VanDerWaalsContact O-N 3.1Å
225K53.3Low52.1Low85 Ų85105.7 Ų105.737%0.3757%0.566SS.*Hα-helixtrans-66.1-36-179.1-164.3169.7-170.6172.60112.1V221 Q222 F228 A229 D236V221-K225 VanDerWaalsContact O-CB 3.24Å; V221-K225 WeakPolarHBondContact O-CB 3.34Å; V221-K225 PolarHBondContact O-N 2.81Å; Q222-K225 PolarHBondContact O-N 3.46Å; Q222-K225 VanDerWaalsContact O-N 3.16Å; K225-F228 PolarHBondContact O-N 2.83Å; K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.33Å; K225-A229 PolarHBondContact O-N 2.87Å; K225-D236 IonicContact NZ-OD2 2.76Å; K225-D236 PolarHBondContact NZ-OD2 3.33Å
226A54.7Low51.1Low61 Ų61103.9 Ų103.950%0.50456%0.561SS.*Hα-helixtrans-61.6-42.7173.300000112.1Q222 K224 F228 A229 T230Q222-A226 WeakPolarHBondContact O-CB 3.32Å; Q222-A226 PolarHBondContact O-N 3.39Å; K224-A226 PolarHBondContact O-N 3.43Å; A226-F228 VanDerWaalsContact C-N 3.31Å; A226-F228 PolarHBondContact O-N 3.43Å; A226-A229 PolarHBondContact O-N 3.31Å; A226-T230 PolarHBondContact O-OG1 3.41Å
227R52.1Low50.5Low189 Ų189104 Ų10471%0.71356%0.561SS**Hα-helixtrans-67.2-26.3175-69.1173.8-172-163.53.3113.9E223 K224 T230E223-R227 VanDerWaalsContact O-CG 3.3Å; E223-R227 WeakPolarHBondContact O-CG 3.39Å; E223-R227 PolarHBondContact O-N 2.99Å; K224-R227 PolarHBondContact O-N 3.04Å; R227-T230 PolarHBondContact O-OG1 3.29Å
228F49.5Very low50.6Low142 Ų142103.9 Ų103.962%0.62357%0.565SS**Hα-helixtrans-89.6-25.7175.4-82.3-71.7000113.4K224 K225 A226 L231 N232K224-F228 VanDerWaalsContact O-CD2 3.29Å; K224-F228 WeakPolarHBondContact O-CD2 3.44Å; K224-F228 PolarHBondContact O-N 3.17Å; K224-F228 VanDerWaalsContact O-N 3.1Å; K225-F228 PolarHBondContact O-N 2.83Å; A226-F228 VanDerWaalsContact C-N 3.31Å; A226-F228 PolarHBondContact O-N 3.43Å; F228-L231 PolarHBondContact O-N 2.95Å; F228-N232 PolarHBondContact O-N 2.85Å
229A51.8Low50.6Low58 Ų58103.9 Ų103.948%0.47956%0.56SS.*Hα-helixtrans-71.5-29.7179.900000113.2K225 A226 L231 N232K225-A229 VanDerWaalsContact O-CB 3.25Å; K225-A229 WeakPolarHBondContact O-CB 3.33Å; K225-A229 PolarHBondContact O-N 2.87Å; A226-A229 PolarHBondContact O-N 3.31Å; A229-L231 PolarHBondContact O-N 3.04Å; A229-N232 CarbonylContact O-C 3.59Å
230T51.5Low50.8Low123 Ų12398.7 Ų98.776%0.75554%0.541SS*.THydrogen-bonded Turntrans-69.5-17172.528.70000114.1A226 R227A226-T230 PolarHBondContact O-OG1 3.41Å; R227-T230 PolarHBondContact O-OG1 3.29Å
231L48.8Very low51.3Low132 Ų13295.3 Ų95.369%0.69152%0.52SS*.THydrogen-bonded Turntrans-98.6-23.2-178.5-69.9170.5000113.5F228 A229F228-L231 PolarHBondContact O-N 2.95Å; A229-L231 PolarHBondContact O-N 3.04Å
232N41.7Very low52.3Low115 Ų11593 Ų9362%0.61551%0.509SS*.  trans-133.8102.7175.4-72.7-56.4000108.9F228 A229 V234F228-N232 PolarHBondContact O-N 2.85Å; A229-N232 CarbonylContact O-C 3.59Å; N232-V234 PolarHBondContact O-N 3.4Å
233G44.2Very low53.9Low78 Ų7891.7 Ų91.780%0.80451%0.507SS*.  trans-64.17.4-179.600000115.7V235G233-V235 VanDerWaalsContact C-N 3.35Å; G233-V235 PolarHBondContact O-N 3.03Å
234V43.6Very low55.7Low128 Ų12888.6 Ų88.678%0.77649%0.491SS*.  trans-75.689.5169.7-174.70000108.2N232 D236N232-V234 PolarHBondContact O-N 3.4Å; V234-D236 PolarHBondContact O-N 2.87Å
235V48.6Very low57.3Low111 Ų11182.4 Ų82.467%0.67346%0.464SS*.  trans-53.2115166.7178.90000107.8G233 Q237G233-V235 VanDerWaalsContact C-N 3.35Å; G233-V235 PolarHBondContact O-N 3.03Å; V235-Q237 HydrophobicContact CB-CG 4.29Å; V235-Q237 HydrophobicContact CG1-CG 3.92Å; V235-Q237 WeakPolarHBondContact O-CG 3.33Å; V235-Q237 PolarHBondContact O-N 2.9Å
236D41.6Very low59.1Low76 Ų7679.9 Ų79.941%0.40646%0.457SS..  trans-69.177.7176.1172.520.2000109.7K225 V234 T238K225-D236 IonicContact NZ-OD2 2.76Å; K225-D236 PolarHBondContact NZ-OD2 3.33Å; V234-D236 PolarHBondContact O-N 2.87Å; D236-T238 PolarHBondContact O-N 2.87Å; D236-T238 PolarHBondContact O-OG1 2.85Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.28Å; D236-T238 PolarHBondContact OD1-OG1 2.86Å; D236-T238 PolarHBondContact OD2-OG1 2.95Å
237Q47.1Very low60.8Low104 Ų10480.4 Ų80.449%0.48646%0.457SS..  trans-73.340177.8-65.1175.61.900111.7V235 K239V235-Q237 HydrophobicContact CB-CG 4.29Å; V235-Q237 HydrophobicContact CG1-CG 3.92Å; V235-Q237 WeakPolarHBondContact O-CG 3.33Å; V235-Q237 PolarHBondContact O-N 2.9Å; Q237-K239 PolarHBondContact O-N 3.46Å
238T53.8Low62.7Low65 Ų6571.9 Ų71.940%0.39943%0.426SS..  trans-65.4129.6170.5350000109.2D236 G240 V241D236-T238 PolarHBondContact O-N 2.87Å; D236-T238 PolarHBondContact O-OG1 2.85Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.28Å; D236-T238 PolarHBondContact OD1-OG1 2.86Å; D236-T238 PolarHBondContact OD2-OG1 2.95Å; T238-G240 PolarHBondContact O-N 3.4Å; T238-V241 PolarHBondContact O-N 2.88Å; T238-V241 WeakPolarHBondContact OG1-CG2 3.49Å
239K54.9Low64.8Low112 Ų11265.2 Ų65.249%0.48740%0.397SS..THydrogen-bonded Turntrans-52.3-19.6-171.2-67.1-170.2172.7-162.30114.9K211 Q237K211-K239 WeakPolarHBondContact CE-O 3.39Å; K211-K239 PolarHBondContact NZ-O 2.96Å; Q237-K239 PolarHBondContact O-N 3.46Å
240G57.9Low66.8Low14 Ų1464.9 Ų64.914%0.14439%0.387CS..THydrogen-bonded Turntrans-88.4-17.8-178.400000116.6S213 T214 Q215 T238S213-G240 PolarHBondContact OG-O 2.95Å; T214-G240 PolarHBondContact N-O 3.07Å; T214-G240 WeakPolarHBondContact OG1-CA 3.26Å; T214-G240 PolarHBondContact OG1-O 3.35Å; Q215-G240 PolarHBondContact N-O 3.06Å; Q215-G240 VanDerWaalsContact N-O 3.14Å; T238-G240 PolarHBondContact O-N 3.4Å
241V65.6Low68.7Low18 Ų1864 Ų6411%0.10938%0.375CS..THydrogen-bonded Turntrans-96.5-42.8-164.3-177.60000113.2S213 Q215 Q217 T238S213-V241 WeakPolarHBondContact CB-O 3.37Å; S213-V241 PolarHBondContact OG-O 3.32Å; Q215-V241 HydrophobicContact CB-CG2 4.46Å; Q217-V241 VanDerWaalsContact NE2-CG1 3.34Å; T238-V241 PolarHBondContact O-N 2.88Å; T238-V241 WeakPolarHBondContact OG1-CG2 3.49Å
242A74.9Confident70.8Confident31 Ų3158.3 Ų58.326%0.25635%0.345SS..  trans-80.3136.6-173.900000112.7Y244A242-Y244 HydrophobicContact CB-CD2 4.21Å; A242-Y244 HydrophobicContact CB-CE1 4.41Å; A242-Y244 HydrophobicContact CB-CE2 3.37Å; A242-Y244 WeakPolarHBondContact CB-OH 3.18Å
243C87.8Confident73.2Confident34 Ų3452.8 Ų52.823%0.2332%0.315CS..  trans-97.9137.8169.8-178.70000108.8F210 K211F210-C243 VanDerWaalsContact CZ-SG 3.6Å; K211-C243 VanDerWaalsContact O-CA 3.29Å; K211-C243 WeakPolarHBondContact O-CA 3.23Å; K211-C243 PolarHBondContact O-SG 3.25Å; K211-C243 VanDerWaalsContact O-SG 3.4Å
244Y91Very high75.4Confident53 Ų5349.8 Ų49.821%0.20828%0.284CS..BIsolated β-bridgetrans-135.7149.9178.2-52.4-97.2000110.3F210 K211 A242 S246 S454 V455F210-Y244 WeakPolarHBondContact CD2-O 3.45Å; K211-Y244 HydrophobicContact CB-CD2 4.08Å; K211-Y244 HydrophobicContact CD-CD2 3.68Å; K211-Y244 HydrophobicContact CD-CE2 3.99Å; K211-Y244 HydrophobicContact CG-CD2 4.02Å; K211-Y244 PolarHBondContact N-O 3.29Å; K211-Y244 PolarHBondContact O-N 2.92Å; A242-Y244 HydrophobicContact CB-CD2 4.21Å; A242-Y244 HydrophobicContact CB-CE1 4.41Å; A242-Y244 HydrophobicContact CB-CE2 3.37Å; A242-Y244 WeakPolarHBondContact CB-OH 3.18Å; Y244-S246 VanDerWaalsContact C-N 3.31Å; Y244-S454 VanDerWaalsContact CD1-CB 3.44Å; Y244-S454 WeakPolarHBondContact CE1-O 3.17Å; Y244-S454 VanDerWaalsContact CZ-O 3.31Å; Y244-S454 PolarHBondContact OH-O 3.48Å; Y244-V455 HydrophobicContact CD1-CG2 4.32Å; Y244-V455 HydrophobicContact CD2-CG2 3.72Å; Y244-V455 HydrophobicContact CE2-CG2 4.17Å; Y244-V455 HydrophobicContact CG-CG2 3.76Å
245G89.1Confident77.6Confident2 Ų246.5 Ų46.52%0.02126%0.262CS..SBendtrans84-2.5-171.800000114.7L249 T451G245-L249 WeakPolarHBondContact O-CB 3.36Å; G245-L249 PolarHBondContact O-N 3.41Å; G245-T451 WeakPolarHBondContact CA-OG1 3.45Å; G245-T451 PolarHBondContact N-OG1 2.99Å
246S91.4Very high79.6Confident32 Ų3243 Ų4322%0.22424%0.237CC..Hα-helixtrans-67.8-41.8178.949.20000113.4Y244 L250Y244-S246 VanDerWaalsContact C-N 3.31Å; S246-L250 VanDerWaalsContact O-CB 3.32Å; S246-L250 WeakPolarHBondContact O-CB 3.42Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.25Å; S246-L250 PolarHBondContact O-N 3.43Å
247S90.8Very high81.8Confident72 Ų7240.1 Ų40.150%0.50322%0.224SC..Hα-helixtrans-60-53.2172.946.50000111.1L249 L250 Q251S247-L249 PolarHBondContact O-N 3.47Å; S247-L250 PolarHBondContact O-N 2.85Å; S247-Q251 VanDerWaalsContact O-CB 3.26Å; S247-Q251 WeakPolarHBondContact O-CB 3.49Å; S247-Q251 PolarHBondContact O-N 3.32Å
248S92.4Very high83.8Confident9 Ų940.1 Ų40.16%0.06323%0.227CC..Hα-helixtrans-58-46.8-179.7-179.30000112.3L252S248-L252 VanDerWaalsContact O-CB 3.26Å; S248-L252 WeakPolarHBondContact O-CB 3.4Å; S248-L252 PolarHBondContact O-N 3.05Å
249L93.4Very high85.3Confident2 Ų241.1 Ų41.11%0.0124%0.242CC..Hα-helixtrans-63.9-46.3177.4-17866.3000112.7L180 L182 V208 G245 S247 L252 L253 L285 M314L180-L249 HydrophobicContact CD2-CD1 3.85Å; L182-L249 HydrophobicContact CD1-CD1 4.13Å; L182-L249 HydrophobicContact CD1-CD2 3.67Å; V208-L249 HydrophobicContact CG1-CB 4.29Å; V208-L249 HydrophobicContact CG1-CD1 4.49Å; V208-L249 HydrophobicContact CG2-CD1 4.1Å; G245-L249 WeakPolarHBondContact O-CB 3.36Å; G245-L249 PolarHBondContact O-N 3.41Å; S247-L249 PolarHBondContact O-N 3.47Å; L249-L252 PolarHBondContact O-N 2.91Å; L249-L253 HydrophobicContact CD1-CD1 4.02Å; L249-L253 HydrophobicContact CD1-CG 4.32Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.33Å; L249-L253 PolarHBondContact O-N 3.34Å; L249-L285 HydrophobicContact CD2-CD1 3.94Å; L249-L285 HydrophobicContact CD2-CD2 4.39Å; L249-M314 HydrophobicContact CD2-CE 4.37Å
250L92.5Very high86.6Confident52 Ų5238.5 Ų38.527%0.27224%0.236SC..Hα-helixtrans-70.3-33.4-178-70.3173.3000112.3S246 S247 G254 L285 I308 M314S246-L250 VanDerWaalsContact O-CB 3.32Å; S246-L250 WeakPolarHBondContact O-CB 3.42Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.25Å; S246-L250 PolarHBondContact O-N 3.43Å; S247-L250 PolarHBondContact O-N 2.85Å; L250-G254 PolarHBondContact O-N 3.1Å; L250-L285 HydrophobicContact CD1-CD2 4.45Å; L250-L285 HydrophobicContact CG-CD2 4.43Å; L250-I308 HydrophobicContact CD2-CG2 3.91Å; L250-M314 HydrophobicContact CD2-CE 4.47Å
251Q91.9Very high87.1Confident105 Ų10541.1 Ų41.149%0.49126%0.262SS..Hα-helixtrans-66.5-48172-176.8176.6-000110.8S247 L253 G254 D255S247-Q251 VanDerWaalsContact O-CB 3.26Å; S247-Q251 WeakPolarHBondContact O-CB 3.49Å; S247-Q251 PolarHBondContact O-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.99Å; Q251-G254 PolarHBondContact O-N 3.04Å; Q251-G254 VanDerWaalsContact O-N 3.14Å; Q251-D255 WeakPolarHBondContact O-CB 3.36Å; Q251-D255 PolarHBondContact O-N 3.32Å
252L92.7Very high87.3Confident11 Ų1147.6 Ų47.66%0.05829%0.285CS..Hα-helixtrans-58.3-46.6178.7-173.472.4000111.8L180 V208 S248 L249 Y256 W439 L444L180-L252 HydrophobicContact CD1-CD2 3.95Å; L180-L252 HydrophobicContact CD2-CD2 4.39Å; V208-L252 HydrophobicContact CG2-CD2 3.91Å; S248-L252 VanDerWaalsContact O-CB 3.26Å; S248-L252 WeakPolarHBondContact O-CB 3.4Å; S248-L252 PolarHBondContact O-N 3.05Å; L249-L252 PolarHBondContact O-N 2.91Å; L252-Y256 WeakPolarHBondContact O-CB 3.44Å; L252-Y256 PolarHBondContact O-N 2.92Å; L252-W439 HydrophobicContact CD1-CE3 3.68Å; L252-W439 HydrophobicContact CD1-CZ3 4.24Å; L252-W439 HydrophobicContact CD2-CE3 4.1Å; L252-W439 HydrophobicContact CD2-CZ3 4.11Å; L252-W439 HydrophobicContact CG-CE3 3.61Å; L252-W439 HydrophobicContact CG-CZ3 3.65Å; L252-L444 HydrophobicContact CD2-CD1 4.26Å
253L92.1Very high86.9Confident0 Ų056.1 Ų56.10%032%0.319CS..Hα-helixtrans-69-32.4176.3-66.6171.4000112.7I148 L249 Q251 A257 L266 V268 V312 M314 W439I148-L253 HydrophobicContact CD1-CD2 4.11Å; L249-L253 HydrophobicContact CD1-CD1 4.02Å; L249-L253 HydrophobicContact CD1-CG 4.32Å; L249-L253 HydrophobicContact CG-CD1 3.95Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.33Å; L249-L253 PolarHBondContact O-N 3.34Å; Q251-L253 PolarHBondContact O-N 2.99Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.49Å; L253-L266 HydrophobicContact CB-CD2 4.47Å; L253-L266 HydrophobicContact CD2-CD2 4.44Å; L253-V268 HydrophobicContact CD1-CG1 4.35Å; L253-V268 HydrophobicContact CD1-CG2 4.28Å; L253-V268 HydrophobicContact CD2-CG1 4.38Å; L253-V268 HydrophobicContact CD2-CG2 4.06Å; L253-V312 HydrophobicContact CB-CG2 4.38Å; L253-V312 HydrophobicContact CD1-CG1 4.46Å; L253-M314 HydrophobicContact CD1-CE 3.68Å; L253-W439 HydrophobicContact CD2-CH2 4.24Å
254G90.4Very high86.5Confident15 Ų1557.3 Ų57.316%0.15534%0.338CS..Hα-helixtrans-70-47.6176.800000112.8L250 Q251 Y256 A257 N258L250-G254 PolarHBondContact O-N 3.1Å; Q251-G254 PolarHBondContact O-N 3.04Å; Q251-G254 VanDerWaalsContact O-N 3.14Å; G254-Y256 VanDerWaalsContact C-N 3.3Å; G254-Y256 PolarHBondContact O-N 2.94Å; G254-A257 PolarHBondContact O-N 2.89Å; G254-N258 WeakPolarHBondContact O-CB 3.41Å; G254-N258 PolarHBondContact O-N 2.99Å; G254-N258 PolarHBondContact O-ND2 3.31Å
255D90.3Very high86.3Confident59 Ų5955.9 Ų55.932%0.31634%0.336SS..Hα-helixtrans-57.3-44.9174.7-77.310.8000110.1Q251 N258 A259 K443Q251-D255 WeakPolarHBondContact O-CB 3.36Å; Q251-D255 PolarHBondContact O-N 3.32Å; D255-N258 PolarHBondContact O-N 3.48Å; D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.43Å; D255-K443 IonicContact OD2-NZ 2.81Å; D255-K443 PolarHBondContact OD2-NZ 3.45Å
256Y89.4Confident86.5Confident36 Ų3656.3 Ų56.314%0.14134%0.337CS..Hα-helixtrans-64.3-44.1175.6-173.5-84000113.1I148 K178 L252 G254 N258 A259 T260 L266 W439I148-Y256 HydrophobicContact CD1-CD1 3.52Å; I148-Y256 HydrophobicContact CD1-CE1 3.6Å; I148-Y256 HydrophobicContact CD1-CG 4.12Å; I148-Y256 HydrophobicContact CG1-CE1 4.19Å; K178-Y256 HydrophobicContact CG-CE2 4.18Å; K178-Y256 WeakPolarHBondContact CG-OH 3.42Å; L252-Y256 WeakPolarHBondContact O-CB 3.44Å; L252-Y256 PolarHBondContact O-N 2.92Å; G254-Y256 VanDerWaalsContact C-N 3.3Å; G254-Y256 PolarHBondContact O-N 2.94Å; Y256-N258 VanDerWaalsContact C-N 3.31Å; Y256-N258 PolarHBondContact O-N 3.33Å; Y256-A259 PolarHBondContact O-N 3.32Å; Y256-T260 WeakPolarHBondContact CE1-OG1 3.45Å; Y256-T260 WeakPolarHBondContact O-CB 3.49Å; Y256-T260 PolarHBondContact O-N 3.47Å; Y256-T260 PolarHBondContact O-OG1 2.87Å; Y256-L266 HydrophobicContact CD1-CD1 4.29Å; Y256-L266 HydrophobicContact CD1-CD2 4.28Å; Y256-L266 HydrophobicContact CE1-CD1 4.34Å; Y256-W439 HydrophobicContact CD2-CD2 4.23Å; Y256-W439 HydrophobicContact CD2-CE3 4.04Å; Y256-W439 HydrophobicContact CD2-CH2 4Å; Y256-W439 HydrophobicContact CD2-CZ2 4.14Å; Y256-W439 AromaticContact CD2-CZ3 3.91Å; Y256-W439 HydrophobicContact CD2-CZ3 3.91Å; Y256-W439 HydrophobicContact CE2-CZ2 4.37Å; Y256-W439 HydrophobicContact CG-CE3 4.46Å; Y256-W439 HydrophobicContact CG-CH2 4.05Å; Y256-W439 AromaticContact CG-CZ3 3.94Å; Y256-W439 HydrophobicContact CG-CZ3 3.94Å
257A89.1Confident86.6Confident16 Ų1658.5 Ų58.513%0.13234%0.343CS..Hα-helixtrans-59.5-42.7177.100000111.7L253 G254 T260 L266L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.49Å; G254-A257 PolarHBondContact O-N 2.89Å; A257-T260 PolarHBondContact O-N 3.03Å; A257-L266 HydrophobicContact CB-CB 4.05Å; A257-L266 HydrophobicContact CB-CD2 4.06Å
258N87.8Confident86.8Confident104 Ų10455.1 Ų55.156%0.55632%0.319SS*.Hα-helixtrans-66.4-44.4177.3-63.5-22000111.5G254 D255 Y256 T260 G261G254-N258 WeakPolarHBondContact O-CB 3.41Å; G254-N258 PolarHBondContact O-N 2.99Å; G254-N258 PolarHBondContact O-ND2 3.31Å; D255-N258 PolarHBondContact O-N 3.48Å; Y256-N258 VanDerWaalsContact C-N 3.31Å; Y256-N258 PolarHBondContact O-N 3.33Å; N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.89Å; N258-G261 PolarHBondContact O-N 3.07Å
259A86.3Confident87Confident86 Ų8654.7 Ų54.771%0.71132%0.316SS*.Hα-helixtrans-64.8-28.4178.600000113.5D255 Y256 G261D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.43Å; Y256-A259 PolarHBondContact O-N 3.32Å; A259-G261 VanDerWaalsContact C-N 3.34Å
260T81.2Confident87.1Confident58 Ų5854.6 Ų54.636%0.35632%0.316SS..THydrogen-bonded Turntrans-81-13179.9-490000112.8Y256 A257 N258 R262Y256-T260 WeakPolarHBondContact CE1-OG1 3.45Å; Y256-T260 WeakPolarHBondContact O-CB 3.49Å; Y256-T260 PolarHBondContact O-N 3.47Å; Y256-T260 PolarHBondContact O-OG1 2.87Å; A257-T260 PolarHBondContact O-N 3.03Å; N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.89Å; T260-R262 HydrophobicContact CG2-CG 4.24Å; T260-R262 PolarHBondContact O-N 2.79Å
261G70.2Confident87.2Confident68 Ų6852.1 Ų52.170%0.70130%0.303SS*.THydrogen-bonded Turntrans61.317.617100000116.4N258 A259N258-G261 PolarHBondContact O-N 3.07Å; A259-G261 VanDerWaalsContact C-N 3.34Å
262R68.4Low87.3Confident155 Ų15547.1 Ų47.159%0.58528%0.279SS*.  trans-76.8138.4-175.3-90.2178.6169.9-176.1-1.9112.8D147 T260 G264D147-R262 IonicContact OD1-CZ 3.44Å; D147-R262 IonicContact OD1-NH1 2.84Å; D147-R262 PolarHBondContact OD1-NH1 3.29Å; D147-R262 IonicContact OD2-NH1 2.67Å; T260-R262 HydrophobicContact CG2-CG 4.24Å; T260-R262 PolarHBondContact O-N 2.79Å; R262-G264 VanDerWaalsContact C-N 3.26Å; R262-G264 PolarHBondContact O-N 3.26Å
263E66.9Low87.2Confident209 Ų20946.6 Ų46.698%0.97728%0.277SS*.SBendtrans-71.179.2165.2-68.2-166.9139.900111
264G78.9Confident87Confident60 Ų6047.7 Ų47.762%0.61928%0.284SS*.SBendtrans163.6170.6174.300000114.3R262R262-G264 VanDerWaalsContact C-N 3.26Å; R262-G264 PolarHBondContact O-N 3.26Å
265S87.8Confident86.9Confident23 Ų2348.8 Ų48.816%0.16129%0.286CS..PPolyproline II helixtrans-76.2123.7170.358.90000110.5K267 N311 K313S265-K267 PolarHBondContact O-N 3Å; S265-N311 CarbonylContact C-O 3.57Å; S265-N311 WeakPolarHBondContact CA-O 2.8Å; S265-K313 WeakPolarHBondContact OG-CD 3.27Å; S265-K313 WeakPolarHBondContact OG-CE 3.5Å; S265-K313 PolarHBondContact OG-NZ 2.74Å
266L91.9Very high86.8Confident10 Ų1046 Ų465%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-52.6131.3172.5-177.971.1000110.9D147 I148 L253 Y256 A257 V268 N311 K313D147-L266 HydrophobicContact CB-CD1 3.83Å; I148-L266 HydrophobicContact CD1-CD1 4.12Å; I148-L266 HydrophobicContact CD1-CD2 3.8Å; I148-L266 HydrophobicContact CD1-CG 4.37Å; I148-L266 HydrophobicContact CG1-CD1 4.21Å; L253-L266 HydrophobicContact CB-CD2 4.47Å; L253-L266 HydrophobicContact CD2-CD2 4.44Å; Y256-L266 HydrophobicContact CD1-CD1 4.29Å; Y256-L266 HydrophobicContact CD1-CD2 4.28Å; Y256-L266 HydrophobicContact CE1-CD1 4.34Å; A257-L266 HydrophobicContact CB-CB 4.05Å; A257-L266 HydrophobicContact CB-CD2 4.06Å; L266-V268 HydrophobicContact CD2-CG2 4.02Å; L266-V268 HydrophobicContact CG-CG2 4.05Å; L266-N311 WeakPolarHBondContact CB-O 3.47Å; L266-N311 PolarHBondContact N-O 2.86Å; L266-K313 PolarHBondContact O-N 2.95Å
267K93.6Very high86.8Confident79 Ų7945 Ų4534%0.34327%0.272SS..EExtended strand (participates in β ladder)trans-99.9120.6178-62.9-179.7-175.3175.50111.2A145 D147 I148 S265A145-K267 WeakPolarHBondContact O-CD 3.25Å; D147-K267 PolarHBondContact N-O 3.23Å; D147-K267 PolarHBondContact OD2-N 3.22Å; I148-K267 PolarHBondContact N-O 3.24Å; S265-K267 PolarHBondContact O-N 3Å
268V95.5Very high86.9Confident0 Ų044.9 Ų44.90%027%0.268CS..EExtended strand (participates in β ladder)trans-118.6107.5-173.8-175.70000109.7I148 V150 L253 L266 L270 V312 K313 M314 I315I148-V268 CarbonylContact O-C 3.58Å; I148-V268 WeakPolarHBondContact O-CA 3.45Å; V150-V268 HydrophobicContact CG2-CG1 3.38Å; L253-V268 HydrophobicContact CD1-CG1 4.35Å; L253-V268 HydrophobicContact CD1-CG2 4.28Å; L253-V268 HydrophobicContact CD2-CG1 4.38Å; L253-V268 HydrophobicContact CD2-CG2 4.06Å; L266-V268 HydrophobicContact CD2-CG2 4.02Å; L266-V268 HydrophobicContact CG-CG2 4.05Å; V268-L270 HydrophobicContact CG1-CD2 4.27Å; V268-V312 HydrophobicContact CG2-CG1 3.96Å; V268-K313 PolarHBondContact N-O 3Å; V268-M314 HydrophobicContact CB-CG 4.24Å; V268-M314 CarbonylContact O-C 3.56Å; V268-M314 VanDerWaalsContact O-CA 3.28Å; V268-M314 WeakPolarHBondContact O-CA 3.34Å; V268-I315 PolarHBondContact O-N 2.9Å
269G95.9Very high87.1Confident0 Ų040.6 Ų40.60%025%0.246CC..EExtended strand (participates in β ladder)trans-84119.8179.800000111.6S146 I148 V150S146-G269 WeakPolarHBondContact OG-CA 3.4Å; S146-G269 PolarHBondContact OG-N 3.38Å; I148-G269 PolarHBondContact O-N 3.31Å; V150-G269 PolarHBondContact N-O 3.38Å
270L96.1Very high87.3Confident1 Ų138.5 Ų38.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-91.5117.9175.7-54.3-167.7000110V150 I152 V268 L281 I282 M314 I315 S317V150-L270 HydrophobicContact CB-CD2 3.85Å; V150-L270 HydrophobicContact CG2-CD2 4.15Å; I152-L270 HydrophobicContact CD1-CD2 4.43Å; I152-L270 HydrophobicContact CG1-CB 4.47Å; V268-L270 HydrophobicContact CG1-CD2 4.27Å; L270-L281 HydrophobicContact CD1-CD2 3.77Å; L270-I282 HydrophobicContact CD1-CD1 3.73Å; L270-I282 HydrophobicContact CD1-CG1 3.45Å; L270-I282 VanDerWaalsContact CD1-CG1 3.45Å; L270-M314 HydrophobicContact CD1-SD 4.48Å; L270-M314 HydrophobicContact CD2-SD 4.47Å; L270-I315 PolarHBondContact N-O 3.47Å; L270-S317 WeakPolarHBondContact O-CB 3.46Å; L270-S317 PolarHBondContact O-N 3.03Å; L270-S317 PolarHBondContact O-OG 2.8Å
271V95.1Very high87.9Confident0 Ų035.7 Ų35.70%021%0.209CC..EExtended strand (participates in β ladder)trans-122.2167.5-176.6-60.70000111.8L139 I149 V150 E151 I152 L166L139-V271 HydrophobicContact CD1-CB 4.43Å; L139-V271 HydrophobicContact CD1-CG1 3.88Å; I149-V271 HydrophobicContact CG2-CB 4.36Å; I149-V271 HydrophobicContact CG2-CG1 4.08Å; I149-V271 HydrophobicContact CG2-CG2 3.35Å; V150-V271 PolarHBondContact O-N 3.32Å; E151-V271 HydrophobicContact CB-CG2 4.01Å; E151-V271 HydrophobicContact CG-CG2 4.32Å; I152-V271 PolarHBondContact N-O 2.93Å; L166-V271 HydrophobicContact CD2-CB 3.9Å; L166-V271 HydrophobicContact CD2-CG2 3.68Å
272G93Very high88.9Confident0 Ų032.5 Ų32.50%018%0.176CC..  trans135.1170.6-179.400000113.8K278 I320G272-K278 PolarHBondContact O-NZ 2.97Å; G272-I320 VanDerWaalsContact CA-CD1 3.44Å; G272-I320 PolarHBondContact O-N 2.85Å; G272-I320 VanDerWaalsContact O-N 3.16Å
273F91.1Very high90Very high0 Ų025.6 Ų25.60%015%0.15CC..  trans-62.9166.2-177.3-71.6-72.4000114C161 C163 V276 K278 I320 A322 T472C161-F273 VanDerWaalsContact O-CD2 3.24Å; C161-F273 WeakPolarHBondContact O-CD2 3.46Å; C161-F273 WeakPolarHBondContact O-CE2 3.36Å; C163-F273 HydrophobicContact CB-CE2 4.04Å; C163-F273 HydrophobicContact CB-CZ 4.01Å; F273-V276 HydrophobicContact CB-CG1 4.11Å; F273-V276 VanDerWaalsContact O-CG2 3.24Å; F273-V276 WeakPolarHBondContact O-CG2 3.46Å; F273-K278 PolarHBondContact O-NZ 3.03Å; F273-K278 VanDerWaalsContact O-NZ 3.17Å; F273-I320 HydrophobicContact CD1-CB 3.92Å; F273-I320 HydrophobicContact CD1-CG2 4.21Å; F273-I320 HydrophobicContact CE1-CB 3.97Å; F273-I320 HydrophobicContact CE1-CG2 3.74Å; F273-I320 HydrophobicContact CG-CB 4.5Å; F273-I320 HydrophobicContact CZ-CG2 4.23Å; F273-A322 HydrophobicContact CD1-CB 4.41Å; F273-A322 HydrophobicContact CE1-CB 3.89Å; F273-T472 HydrophobicContact CE1-CG2 4Å; F273-T472 HydrophobicContact CE2-CG2 4.35Å; F273-T472 HydrophobicContact CZ-CG2 3.71Å; F273-T472 WeakPolarHBondContact CZ-O 3.47Å
274P88.1Confident91.1Very high23 Ų2316.4 Ų16.415%0.14911%0.109CC..THydrogen-bonded Turntrans-58.6151.7169.4-22.532.8000112.2V276 R297 I320 L336P274-V276 PolarHBondContact O-N 3.19Å; P274-R297 HydrophobicContact CB-CG 3.97Å; P274-I320 WeakPolarHBondContact CD-O 3.47Å; P274-L336 HydrophobicContact CG-CD2 4.32Å
275N87.5Confident91.7Very high37 Ų3714.5 Ų14.520%0.1989%0.085CC..THydrogen-bonded Turntrans63.31.7176-60.7-0.8000117.4K185 G277 V295K185-N275 PolarHBondContact NZ-O 3.44Å; N275-G277 VanDerWaalsContact C-N 3.26Å; N275-G277 PolarHBondContact O-N 2.78Å; N275-V295 PolarHBondContact ND2-O 3.16Å; N275-V295 PolarHBondContact OD1-O 2.88Å
276V89.5Confident91.7Very high2 Ų217.2 Ų17.21%0.0129%0.094CC..SBendtrans-66-25.9170.4-560000113.1I152 C161 N184 K185 F273 P274 K278I152-V276 HydrophobicContact CB-CG2 3.84Å; I152-V276 HydrophobicContact CG2-CB 4.24Å; I152-V276 HydrophobicContact CG2-CG2 3.77Å; I152-V276 WeakPolarHBondContact O-CB 3.15Å; I152-V276 WeakPolarHBondContact O-CG2 3.32Å; C161-V276 HydrophobicContact CB-CG1 4.47Å; N184-V276 PolarHBondContact ND2-O 3.06Å; K185-V276 WeakPolarHBondContact CE-O 3.42Å; F273-V276 HydrophobicContact CB-CG1 4.11Å; F273-V276 VanDerWaalsContact O-CG2 3.24Å; F273-V276 WeakPolarHBondContact O-CG2 3.46Å; P274-V276 PolarHBondContact O-N 3.19Å; V276-K278 HydrophobicContact CG2-CG 3.89Å
277G89.5Confident91.4Very high14 Ų1418.5 Ų18.514%0.14411%0.11CC..  trans115.514.5171.100000117.3N275 S279 S280 L281N275-G277 VanDerWaalsContact C-N 3.26Å; N275-G277 PolarHBondContact O-N 2.78Å; G277-S279 PolarHBondContact O-N 2.88Å; G277-S280 CarbonylContact O-C 3.58Å; G277-S280 WeakPolarHBondContact O-CA 3.36Å; G277-S280 WeakPolarHBondContact O-CB 3.29Å; G277-S280 PolarHBondContact O-N 3.48Å; G277-L281 PolarHBondContact O-N 3.45Å
278K91.8Very high90.9Very high14 Ų1418.2 Ų18.26%0.06111%0.11CC..Hα-helixtrans-40.5-63.8179.2-58.7-166.2-67.6-73.70114.6I152 G272 F273 V276 S280 L281 I282 S317I152-K278 HydrophobicContact CB-CG 4.16Å; I152-K278 HydrophobicContact CG1-CG 3.89Å; G272-K278 PolarHBondContact O-NZ 2.97Å; F273-K278 PolarHBondContact O-NZ 3.03Å; F273-K278 VanDerWaalsContact O-NZ 3.17Å; V276-K278 HydrophobicContact CG2-CG 3.89Å; K278-S280 VanDerWaalsContact C-N 3.26Å; K278-S280 PolarHBondContact O-N 3.08Å; K278-L281 VanDerWaalsContact O-CB 3.29Å; K278-L281 WeakPolarHBondContact O-CB 3.4Å; K278-L281 PolarHBondContact O-N 2.89Å; K278-I282 PolarHBondContact O-N 2.7Å; K278-S317 WeakPolarHBondContact CE-O 3.38Å; K278-S317 WeakPolarHBondContact CE-OG 3.24Å
279S90.8Very high90.3Very high14 Ų1425.1 Ų25.110%0.09814%0.136CC..Hα-helixtrans-63.3-28.2-179.7-47.30000113.6G277 N283 T300 D316G277-S279 PolarHBondContact O-N 2.88Å; S279-N283 PolarHBondContact O-N 3.01Å; S279-N283 PolarHBondContact O-ND2 2.93Å; S279-T300 PolarHBondContact OG-OG1 2.88Å; S279-T300 VanDerWaalsContact OG-OG1 3.07Å; S279-D316 VanDerWaalsContact CB-OD2 3.31Å; S279-D316 WeakPolarHBondContact CB-OD2 3.44Å; S279-D316 PolarHBondContact OG-OD1 3.41Å; S279-D316 PolarHBondContact OG-OD2 3.04Å
280S90.6Very high89.9Confident41 Ų4127 Ų2729%0.28715%0.152SC..Hα-helixtrans-73.4-33.3173.8-56.70000112.1G277 K278 S284G277-S280 CarbonylContact O-C 3.58Å; G277-S280 WeakPolarHBondContact O-CA 3.36Å; G277-S280 WeakPolarHBondContact O-CB 3.29Å; G277-S280 PolarHBondContact O-N 3.48Å; K278-S280 VanDerWaalsContact C-N 3.26Å; K278-S280 PolarHBondContact O-N 3.08Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 2.96Å; S280-S284 PolarHBondContact O-OG 2.76Å
281L92.9Very high89.5Confident0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-65.5-48.6175.9-176.2147.6000110.7I152 L182 F210 L270 G277 K278 N283 S284 L285I152-L281 HydrophobicContact CD1-CD1 4.21Å; L182-L281 HydrophobicContact CD1-CD1 3.56Å; L182-L281 HydrophobicContact CD2-CD1 3.4Å; L182-L281 VanDerWaalsContact CD2-CD1 3.4Å; L182-L281 HydrophobicContact CG-CD1 4.14Å; F210-L281 HydrophobicContact CD1-CD1 3.58Å; F210-L281 HydrophobicContact CD1-CG 4.04Å; F210-L281 HydrophobicContact CE1-CB 4.22Å; F210-L281 HydrophobicContact CE1-CD1 3.65Å; F210-L281 HydrophobicContact CE1-CG 3.55Å; F210-L281 HydrophobicContact CG-CD1 4.08Å; F210-L281 HydrophobicContact CZ-CD1 4.19Å; F210-L281 HydrophobicContact CZ-CG 3.86Å; L270-L281 HydrophobicContact CD1-CD2 3.77Å; G277-L281 PolarHBondContact O-N 3.45Å; K278-L281 VanDerWaalsContact O-CB 3.29Å; K278-L281 WeakPolarHBondContact O-CB 3.4Å; K278-L281 PolarHBondContact O-N 2.89Å; L281-N283 VanDerWaalsContact C-N 3.33Å; L281-N283 PolarHBondContact O-N 3.4Å; L281-S284 WeakPolarHBondContact O-CA 3.23Å; L281-S284 WeakPolarHBondContact O-CB 3.49Å; L281-S284 PolarHBondContact O-N 3.34Å; L281-L285 HydrophobicContact CD2-CD1 3.51Å; L281-L285 HydrophobicContact CD2-CG 4.11Å; L281-L285 HydrophobicContact CG-CD1 4.48Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.79Å
282I92.4Very high89.1Confident0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-55.5-48.3174.3-69.4171.6000111.2L270 K278 S284 L285 K286 I306 I308 D316L270-I282 HydrophobicContact CD1-CD1 3.73Å; L270-I282 HydrophobicContact CD1-CG1 3.45Å; L270-I282 VanDerWaalsContact CD1-CG1 3.45Å; K278-I282 PolarHBondContact O-N 2.7Å; I282-S284 PolarHBondContact O-N 2.86Å; I282-L285 PolarHBondContact O-N 2.71Å; I282-K286 WeakPolarHBondContact O-CB 3.43Å; I282-K286 PolarHBondContact O-N 3.44Å; I282-I306 HydrophobicContact CG2-CB 4.41Å; I282-I306 HydrophobicContact CG2-CD1 3.79Å; I282-I306 HydrophobicContact CG2-CG2 4.02Å; I282-I308 HydrophobicContact CG2-CD1 4.25Å; I282-D316 HydrophobicContact CD1-CB 3.4Å
283N91.5Very high88.6Confident10 Ų1032.5 Ų32.55%0.05319%0.186CC..Hα-helixtrans-61.1-33.3177.5-73.4-20000112.8S279 L281 G287 M288 A290 C291S279-N283 PolarHBondContact O-N 3.01Å; S279-N283 PolarHBondContact O-ND2 2.93Å; L281-N283 VanDerWaalsContact C-N 3.33Å; L281-N283 PolarHBondContact O-N 3.4Å; N283-G287 PolarHBondContact O-N 3.21Å; N283-G287 VanDerWaalsContact O-N 3.14Å; N283-M288 WeakPolarHBondContact CA-O 3.28Å; N283-M288 PolarHBondContact O-N 2.94Å; N283-A290 PolarHBondContact OD1-N 2.84Å; N283-C291 PolarHBondContact ND2-O 3.25Å; N283-C291 PolarHBondContact OD1-N 3.05Å
284S90.8Very high88.1Confident16 Ų1634.7 Ų34.711%0.11221%0.208CC..Hα-helixtrans-73.7-43.6177.7-56.90000112A212 S213 S280 L281 I282 G287A212-S284 WeakPolarHBondContact CA-OG 3.26Å; S213-S284 PolarHBondContact N-OG 3.49Å; S213-S284 PolarHBondContact O-OG 3.26Å; S280-S284 WeakPolarHBondContact O-CB 3.42Å; S280-S284 PolarHBondContact O-N 2.96Å; S280-S284 PolarHBondContact O-OG 2.76Å; L281-S284 WeakPolarHBondContact O-CA 3.23Å; L281-S284 WeakPolarHBondContact O-CB 3.49Å; L281-S284 PolarHBondContact O-N 3.34Å; I282-S284 PolarHBondContact O-N 2.86Å; S284-G287 PolarHBondContact O-N 2.9Å
285L90.6Very high87.5Confident20 Ų2037.1 Ų37.111%0.10522%0.222CC..Hα-helixtrans-65.9-38.4176.6-67.9179.7000112.4F210 L249 L250 L281 I282 G287 I308 M314F210-L285 HydrophobicContact CE2-CD2 3.83Å; F210-L285 HydrophobicContact CZ-CD2 3.89Å; F210-L285 HydrophobicContact CZ-CG 4.24Å; L249-L285 HydrophobicContact CD2-CD1 3.94Å; L249-L285 HydrophobicContact CD2-CD2 4.39Å; L250-L285 HydrophobicContact CD1-CD2 4.45Å; L250-L285 HydrophobicContact CG-CD2 4.43Å; L281-L285 HydrophobicContact CD2-CD1 3.51Å; L281-L285 HydrophobicContact CD2-CG 4.11Å; L281-L285 HydrophobicContact CG-CD1 4.48Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.79Å; I282-L285 PolarHBondContact O-N 2.71Å; L285-G287 VanDerWaalsContact C-N 3.29Å; L285-I308 HydrophobicContact CB-CG2 4.24Å; L285-M314 HydrophobicContact CD1-CE 3.49Å; L285-M314 VanDerWaalsContact CD1-CE 3.49Å; L285-M314 HydrophobicContact CD1-SD 3.43Å; L285-M314 WeakPolarHBondContact CD1-SD 3.29Å
286K88.3Confident87Confident81 Ų8141.7 Ų41.735%0.35224%0.243SC..THydrogen-bonded Turntrans-78.4-12.6176.9-151.9-177.8-172.5169.30113.4I282 M288 A290 I306 I308I282-K286 WeakPolarHBondContact O-CB 3.43Å; I282-K286 PolarHBondContact O-N 3.44Å; K286-M288 HydrophobicContact CB-CG 4.39Å; K286-M288 HydrophobicContact CD-CG 4.01Å; K286-M288 HydrophobicContact CG-CG 4.02Å; K286-M288 PolarHBondContact O-N 3.32Å; K286-M288 VanDerWaalsContact O-N 3.14Å; K286-A290 HydrophobicContact CD-CB 3.77Å; K286-I306 HydrophobicContact CD-CG2 4.08Å; K286-I308 HydrophobicContact CB-CD1 4.06Å; K286-I308 HydrophobicContact CG-CD1 4.32Å
287G84.6Confident86.3Confident37 Ų3743.2 Ų43.238%0.38125%0.248SC..THydrogen-bonded Turntrans65.19.6-175.100000115.2Q222 N283 S284 L285Q222-G287 PolarHBondContact NE2-O 3.15Å; Q222-G287 VanDerWaalsContact NE2-O 3.08Å; N283-G287 PolarHBondContact O-N 3.21Å; N283-G287 VanDerWaalsContact O-N 3.14Å; S284-G287 PolarHBondContact O-N 2.9Å; L285-G287 VanDerWaalsContact C-N 3.29Å
288M83.1Confident85.6Confident72 Ų7244.1 Ų44.136%0.35526%0.258SS..SBendtrans-151.8158.4-178.965.9174.2-67.900111.4N283 K286 A290N283-M288 WeakPolarHBondContact CA-O 3.28Å; N283-M288 PolarHBondContact O-N 2.94Å; K286-M288 HydrophobicContact CB-CG 4.39Å; K286-M288 HydrophobicContact CD-CG 4.01Å; K286-M288 HydrophobicContact CG-CG 4.02Å; K286-M288 PolarHBondContact O-N 3.32Å; K286-M288 VanDerWaalsContact O-N 3.14Å; M288-A290 PolarHBondContact O-N 2.98Å
289R84.1Confident85.1Confident146 Ų14646.1 Ų46.155%0.55127%0.268SS*.  trans-68.6103.5175.9-170-168.9-168.6160.3-1.5111Q216 N292Q216-R289 VanDerWaalsContact OE1-CG 3.28Å; R289-N292 PolarHBondContact NH2-OD1 2.77Å
290A87Confident84.7Confident39 Ų3946.3 Ų46.332%0.32227%0.269SS..  trans-100.9-53.6167.300000110.9N283 K286 M288 I306N283-A290 PolarHBondContact OD1-N 2.84Å; K286-A290 HydrophobicContact CD-CB 3.77Å; M288-A290 PolarHBondContact O-N 2.98Å; A290-I306 HydrophobicContact CB-CD1 4.06Å; A290-I306 HydrophobicContact CB-CG2 4.2Å
291C87.6Confident84.4Confident1 Ų152.2 Ų52.21%0.00729%0.285CS..SBendtrans-85.7149.9175-59.70000111.4N283 A293 I306 D316N283-C291 PolarHBondContact ND2-O 3.25Å; N283-C291 PolarHBondContact OD1-N 3.05Å; C291-A293 PolarHBondContact O-N 3.47Å; C291-I306 WeakPolarHBondContact SG-CD1 3.09Å; C291-D316 PolarHBondContact SG-OD2 3.5Å
292N86.1Confident84Confident83 Ų8355.1 Ų55.144%0.44430%0.304SS..  trans-77.3120.3162.9-164.324.4000109.3R289 I299R289-N292 PolarHBondContact NH2-OD1 2.77Å; N292-I299 HydrophobicContact CB-CG2 3.73Å; N292-I299 WeakPolarHBondContact ND2-CG2 3.49Å; N292-I299 VanDerWaalsContact O-CG2 3.25Å; N292-I299 WeakPolarHBondContact O-CG2 3.42Å
293A83.8Confident83.8Confident33 Ų3358.4 Ų58.427%0.27332%0.319SS..  trans-126.4143.1-17700000110.7C291C291-A293 PolarHBondContact O-N 3.47Å
294G79.2Confident83.8Confident45 Ų4561.6 Ų61.646%0.46433%0.333SS..  trans-171.9176.3-178.900000112.4
295V77.1Confident83.9Confident74 Ų7465.1 Ų65.145%0.44835%0.351SS..SBendtrans-80.9-23.4178.6-175.80000111.9N275 T407N275-V295 PolarHBondContact ND2-O 3.16Å; N275-V295 PolarHBondContact OD1-O 2.88Å; V295-T407 WeakPolarHBondContact CG1-OG1 3.38Å
296Q76.9Confident84Confident134 Ų13464.9 Ų64.963%0.62635%0.349SS*.SBendtrans-70.5142.7173.7-170.7173.713.300110.4I299Q296-I299 HydrophobicContact CB-CD1 4.32Å; Q296-I299 WeakPolarHBondContact O-CD1 3.27Å; Q296-I299 WeakPolarHBondContact O-CG1 3.49Å
297R73.4Confident84.2Confident34 Ų3465.4 Ų65.413%0.12835%0.353CS..SBendtrans-86.9162.7-175.9-66.5144.3144.1-77.9-12.4110.9P274 I299 R334 S335 L336P274-R297 HydrophobicContact CB-CG 3.97Å; R297-I299 PolarHBondContact O-N 3.31Å; R297-R334 PolarHBondContact NE-O 2.94Å; R297-R334 PolarHBondContact NH2-O 3.47Å; R297-S335 VanDerWaalsContact CZ-C 3.48Å; R297-S335 PolarHBondContact NE-O 3.29Å; R297-L336 VanDerWaalsContact NH2-CD2 3.34Å; R297-L336 VanDerWaalsContact NH2-CG 3.31Å
298G75.8Confident84.5Confident33 Ų3365.1 Ų65.134%0.3434%0.342SS..SBendtrans62.426.5179.900000114.6R301G298-R301 WeakPolarHBondContact O-CG 3.21Å; G298-R301 PolarHBondContact O-NE 3.33Å
299I80.9Confident84.6Confident56 Ų5664 Ų6429%0.28734%0.341SS..SBendtrans-69.3-55167.9-65.4171.8000109.1N292 Q296 R297 R301N292-I299 HydrophobicContact CB-CG2 3.73Å; N292-I299 WeakPolarHBondContact ND2-CG2 3.49Å; N292-I299 VanDerWaalsContact O-CG2 3.25Å; N292-I299 WeakPolarHBondContact O-CG2 3.42Å; Q296-I299 HydrophobicContact CB-CD1 4.32Å; Q296-I299 WeakPolarHBondContact O-CD1 3.27Å; Q296-I299 WeakPolarHBondContact O-CG1 3.49Å; R297-I299 PolarHBondContact O-N 3.31Å; I299-R301 PolarHBondContact O-N 3.48Å
300T82.3Confident84.6Confident17 Ų1765.8 Ų65.810%0.10435%0.354CS..  trans-82.5108.2170.9-47.20000108.6S279S279-T300 PolarHBondContact OG-OG1 2.88Å; S279-T300 VanDerWaalsContact OG-OG1 3.07Å
301R83.9Confident84.5Confident165 Ų16567.4 Ų67.462%0.62336%0.357SS*.  trans-112.4-26.1-178.5-62.2-172.9179-163.7-5.2114.2H134 G298 I299H134-R301 PolarHBondContact CE1-O 2.87Å; G298-R301 WeakPolarHBondContact O-CG 3.21Å; G298-R301 PolarHBondContact O-NE 3.33Å; I299-R301 PolarHBondContact O-N 3.48Å
302C85.4Confident84.7Confident61 Ų6167.5 Ų67.541%0.41236%0.357SS..SBendtrans-122.4151.6177.3-45.50000108.4E138E138-C302 WeakPolarHBondContact OE2-CA 3.49Å; E138-C302 VanDerWaalsContact OE2-CB 3.31Å; E138-C302 WeakPolarHBondContact OE2-CB 3.41Å
303F88.3Confident85.1Confident69 Ų6967 Ų6730%0.30335%0.351SS..  trans-69.8150.7176.673.9-86.7000111.8E138 K141 V142 I315 D316E138-F303 VanDerWaalsContact OE2-CD1 3.25Å; E138-F303 WeakPolarHBondContact OE2-CD1 3.07Å; E138-F303 PolarHBondContact OE2-N 3.44Å; E138-F303 VanDerWaalsContact OE2-N 3.08Å; K141-F303 HydrophobicContact CB-CD1 4.1Å; K141-F303 HydrophobicContact CB-CE1 3.9Å; K141-F303 HydrophobicContact CD-CD1 4.3Å; K141-F303 HydrophobicContact CD-CE1 3.71Å; K141-F303 HydrophobicContact CG-CE1 4.44Å; V142-F303 HydrophobicContact CG2-CB 3.33Å; V142-F303 HydrophobicContact CG2-CG 4Å; F303-I315 HydrophobicContact CB-CG2 4.07Å; F303-I315 HydrophobicContact CD2-CG2 3.93Å; F303-I315 HydrophobicContact CG-CG2 4.44Å; F303-D316 VanDerWaalsContact CA-O 3.26Å; F303-D316 WeakPolarHBondContact CA-O 3.31Å
304Q90.7Very high85.6Confident77 Ų7765.4 Ų65.436%0.3634%0.338SS..EExtended strand (participates in β ladder)trans-138.9118.8-176.3-78.8161.482.200111.5I306 I315 D316Q304-I306 HydrophobicContact CB-CD1 4.46Å; Q304-I315 WeakPolarHBondContact O-CA 3.48Å; Q304-D316 HydrophobicContact CB-CB 4.46Å; Q304-D316 PolarHBondContact N-O 3.16Å; Q304-D316 PolarHBondContact O-N 2.85Å
305D92.9Very high86.4Confident91 Ų9163.3 Ų63.349%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-80.4120.1176-76.716.5000111.1I315D305-I315 WeakPolarHBondContact OD1-CG1 3.43Å
306I93.1Very high87.2Confident14 Ų1459.8 Ų59.87%0.07230%0.295CS..EExtended strand (participates in β ladder)trans-129.2117.9-175.2-63.9170.2000109.9I282 K286 A290 C291 Q304 I308 M314I282-I306 HydrophobicContact CG2-CB 4.41Å; I282-I306 HydrophobicContact CG2-CD1 3.79Å; I282-I306 HydrophobicContact CG2-CG2 4.02Å; K286-I306 HydrophobicContact CD-CG2 4.08Å; A290-I306 HydrophobicContact CB-CD1 4.06Å; A290-I306 HydrophobicContact CB-CG2 4.2Å; C291-I306 WeakPolarHBondContact SG-CD1 3.09Å; Q304-I306 HydrophobicContact CB-CD1 4.46Å; I306-I308 HydrophobicContact CG2-CD1 3.91Å; I306-I308 PolarHBondContact O-N 3.18Å; I306-M314 PolarHBondContact N-O 3.5Å; I306-M314 PolarHBondContact O-N 3Å
307H92.2Very high87.9Confident92 Ų9253.4 Ų53.443%0.42627%0.265SS..EExtended strand (participates in β ladder)trans-73125.5173.2-150.743.6000110S309 K310 K313H307-S309 PolarHBondContact CE1-O 2.95Å; H307-S309 PolarHBondContact ND1-O 3.44Å; H307-S309 PolarHBondContact NE2-O 3.27Å; H307-K310 PolarHBondContact CE1-O 2.88Å; H307-K313 VanDerWaalsContact ND1-CG 3.3Å; H307-K313 WeakPolarHBondContact ND1-CG 3.4Å
308I90.3Very high88.6Confident31 Ų3151.8 Ų51.816%0.15926%0.259CS..EExtended strand (participates in β ladder)trans-107.2-47.7-179.6-58.6-62.5000110.3L250 I282 L285 K286 I306 V312 M314L250-I308 HydrophobicContact CD2-CG2 3.91Å; I282-I308 HydrophobicContact CG2-CD1 4.25Å; L285-I308 HydrophobicContact CB-CG2 4.24Å; K286-I308 HydrophobicContact CB-CD1 4.06Å; K286-I308 HydrophobicContact CG-CD1 4.32Å; I306-I308 HydrophobicContact CG2-CD1 3.91Å; I306-I308 PolarHBondContact O-N 3.18Å; I308-V312 PolarHBondContact N-O 3.21Å; I308-V312 VanDerWaalsContact N-O 3.12Å; I308-M314 HydrophobicContact CG1-CB 4Å; I308-M314 HydrophobicContact CG1-CG 3.78Å; I308-M314 HydrophobicContact CG1-SD 3.91Å
309S85.4Confident89.2Confident48 Ų4851 Ų5134%0.33625%0.251SS..EExtended strand (participates in β ladder)trans-137.2167.7173760000109.6H307 N311 V312H307-S309 PolarHBondContact CE1-O 2.95Å; H307-S309 PolarHBondContact ND1-O 3.44Å; H307-S309 PolarHBondContact NE2-O 3.27Å; S309-N311 PolarHBondContact O-N 3.36Å; S309-N311 VanDerWaalsContact O-N 3.09Å; S309-V312 PolarHBondContact N-O 3.26Å; S309-V312 PolarHBondContact O-N 2.96Å; S309-V312 VanDerWaalsContact O-N 3.09Å; S309-V312 WeakPolarHBondContact OG-CB 3.27Å; S309-V312 PolarHBondContact OG-N 3.16Å
310K84.1Confident89.6Confident185 Ų18548.4 Ų48.480%0.80424%0.237SC*.THydrogen-bonded Turntrans-50.2-38.4179-65-177.4178.9-178.50112.5H307H307-K310 PolarHBondContact CE1-O 2.88Å
311N86.2Confident89.8Confident73 Ų7348.6 Ų48.639%0.3924%0.238SC..THydrogen-bonded Turntrans-98.5-6.3-173.9-58.318.3000112.8S265 L266 S309S265-N311 CarbonylContact C-O 3.57Å; S265-N311 WeakPolarHBondContact CA-O 2.8Å; L266-N311 WeakPolarHBondContact CB-O 3.47Å; L266-N311 PolarHBondContact N-O 2.86Å; S309-N311 PolarHBondContact O-N 3.36Å; S309-N311 VanDerWaalsContact O-N 3.09Å
312V91.3Very high90Very high2 Ų241.1 Ų41.11%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-134.2121.6-174-174.70000112.5L253 V268 I308 S309 M314L253-V312 HydrophobicContact CB-CG2 4.38Å; L253-V312 HydrophobicContact CD1-CG1 4.46Å; V268-V312 HydrophobicContact CG2-CG1 3.96Å; I308-V312 PolarHBondContact N-O 3.21Å; I308-V312 VanDerWaalsContact N-O 3.12Å; S309-V312 PolarHBondContact N-O 3.26Å; S309-V312 PolarHBondContact O-N 2.96Å; S309-V312 VanDerWaalsContact O-N 3.09Å; S309-V312 WeakPolarHBondContact OG-CB 3.27Å; S309-V312 PolarHBondContact OG-N 3.16Å; V312-M314 HydrophobicContact CG1-CE 4.32Å; V312-M314 HydrophobicContact CG1-CG 4.39Å
313K93.8Very high90Very high73 Ų7338.9 Ų38.932%0.31720%0.198SC..EExtended strand (participates in β ladder)trans-105135.2165.4-73.3175.7-175.8148.60109.1S265 L266 V268 H307S265-K313 WeakPolarHBondContact OG-CD 3.27Å; S265-K313 WeakPolarHBondContact OG-CE 3.5Å; S265-K313 PolarHBondContact OG-NZ 2.74Å; L266-K313 PolarHBondContact O-N 2.95Å; V268-K313 PolarHBondContact N-O 3Å; H307-K313 VanDerWaalsContact ND1-CG 3.3Å; H307-K313 WeakPolarHBondContact ND1-CG 3.4Å
314M95.3Very high89.6Confident0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-109.9139.5171.9-69.4-171.8174.600110.4L249 L250 L253 V268 L270 L285 I306 I308 V312L249-M314 HydrophobicContact CD2-CE 4.37Å; L250-M314 HydrophobicContact CD2-CE 4.47Å; L253-M314 HydrophobicContact CD1-CE 3.68Å; V268-M314 HydrophobicContact CB-CG 4.24Å; V268-M314 CarbonylContact O-C 3.56Å; V268-M314 VanDerWaalsContact O-CA 3.28Å; V268-M314 WeakPolarHBondContact O-CA 3.34Å; L270-M314 HydrophobicContact CD1-SD 4.48Å; L270-M314 HydrophobicContact CD2-SD 4.47Å; L285-M314 HydrophobicContact CD1-CE 3.49Å; L285-M314 VanDerWaalsContact CD1-CE 3.49Å; L285-M314 HydrophobicContact CD1-SD 3.43Å; L285-M314 WeakPolarHBondContact CD1-SD 3.29Å; I306-M314 PolarHBondContact N-O 3.5Å; I306-M314 PolarHBondContact O-N 3Å; I308-M314 HydrophobicContact CG1-CB 4Å; I308-M314 HydrophobicContact CG1-CG 3.78Å; I308-M314 HydrophobicContact CG1-SD 3.91Å; V312-M314 HydrophobicContact CG1-CE 4.32Å; V312-M314 HydrophobicContact CG1-CG 4.39Å
315I94.5Very high89.2Confident0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-109.5116.7178.5-48.6-176.6000108V142 A145 V268 L270 F303 Q304 D305V142-I315 HydrophobicContact CB-CG2 4.44Å; V142-I315 HydrophobicContact CG1-CB 4.2Å; V142-I315 HydrophobicContact CG1-CG2 3.98Å; V142-I315 HydrophobicContact CG2-CG2 3.83Å; A145-I315 HydrophobicContact CB-CD1 4.05Å; V268-I315 PolarHBondContact O-N 2.9Å; L270-I315 PolarHBondContact N-O 3.47Å; F303-I315 HydrophobicContact CB-CG2 4.07Å; F303-I315 HydrophobicContact CD2-CG2 3.93Å; F303-I315 HydrophobicContact CG-CG2 4.44Å; Q304-I315 WeakPolarHBondContact O-CA 3.48Å; D305-I315 WeakPolarHBondContact OD1-CG1 3.43Å
316D94.1Very high88.8Confident0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-78.9120.4174.3-160.116.3000109.3S279 I282 C291 F303 Q304S279-D316 VanDerWaalsContact CB-OD2 3.31Å; S279-D316 WeakPolarHBondContact CB-OD2 3.44Å; S279-D316 PolarHBondContact OG-OD1 3.41Å; S279-D316 PolarHBondContact OG-OD2 3.04Å; I282-D316 HydrophobicContact CD1-CB 3.4Å; C291-D316 PolarHBondContact SG-OD2 3.5Å; F303-D316 VanDerWaalsContact CA-O 3.26Å; F303-D316 WeakPolarHBondContact CA-O 3.31Å; Q304-D316 HydrophobicContact CB-CB 4.46Å; Q304-D316 PolarHBondContact N-O 3.16Å; Q304-D316 PolarHBondContact O-N 2.85Å
317S91.3Very high88.3Confident0 Ų040.6 Ų40.60%022%0.222CC..PPolyproline II helixtrans-91154.8177.388.50000112.7L270 K278L270-S317 WeakPolarHBondContact O-CB 3.46Å; L270-S317 PolarHBondContact O-N 3.03Å; L270-S317 PolarHBondContact O-OG 2.8Å; K278-S317 WeakPolarHBondContact CE-O 3.38Å; K278-S317 WeakPolarHBondContact CE-OG 3.24Å
318P89.8Confident87.6Confident0 Ų041.8 Ų41.80%023%0.225CC..PPolyproline II helixtrans-55.6156.8156.526.8-35000111.2L135 E138 L139L135-P318 HydrophobicContact CB-CB 4.45Å; L135-P318 HydrophobicContact CD2-CB 3.52Å; L135-P318 HydrophobicContact CD2-CG 4.49Å; E138-P318 HydrophobicContact CB-CG 3.81Å; L139-P318 HydrophobicContact CB-CG 4.34Å
319G87.4Confident86.9Confident17 Ų1740.9 Ų40.918%0.17522%0.223CC..PPolyproline II helixtrans-71.2136.8175.500000112.5V321G319-V321 PolarHBondContact O-N 3.27Å
320I89.1Confident86.5Confident1 Ų138.8 Ų38.81%0.00521%0.208CC..PPolyproline II helixtrans-52.4130175.2-57.7169.1000109.6L139 C163 L166 G272 F273 P274 A322L139-I320 HydrophobicContact CD2-CG1 3.97Å; C163-I320 HydrophobicContact CB-CD1 3.84Å; L166-I320 HydrophobicContact CD2-CD1 3.49Å; L166-I320 VanDerWaalsContact CD2-CD1 3.49Å; L166-I320 HydrophobicContact CD2-CG1 4.29Å; G272-I320 VanDerWaalsContact CA-CD1 3.44Å; G272-I320 PolarHBondContact O-N 2.85Å; G272-I320 VanDerWaalsContact O-N 3.16Å; F273-I320 HydrophobicContact CD1-CB 3.92Å; F273-I320 HydrophobicContact CD1-CG2 4.21Å; F273-I320 HydrophobicContact CE1-CB 3.97Å; F273-I320 HydrophobicContact CE1-CG2 3.74Å; F273-I320 HydrophobicContact CG-CB 4.5Å; F273-I320 HydrophobicContact CZ-CG2 4.23Å; P274-I320 WeakPolarHBondContact CD-O 3.47Å; I320-A322 PolarHBondContact O-N 3.14Å
321V87.5Confident86.2Confident21 Ų2130.6 Ų30.613%0.12717%0.173CC..EExtended strand (participates in β ladder)trans-77.8118.5172.6-178.70000107.7K132 L135 G319 G474 V475K132-V321 HydrophobicContact CB-CG1 4.36Å; K132-V321 HydrophobicContact CD-CG1 4.02Å; K132-V321 HydrophobicContact CG-CG1 3.99Å; K132-V321 HydrophobicContact CG-CG2 4.47Å; L135-V321 HydrophobicContact CB-CG2 3.99Å; L135-V321 HydrophobicContact CD1-CG2 4.12Å; G319-V321 PolarHBondContact O-N 3.27Å; V321-G474 WeakPolarHBondContact O-CA 3.36Å; V321-V475 HydrophobicContact CB-CB 4.43Å; V321-V475 HydrophobicContact CG1-CB 4.49Å; V321-V475 PolarHBondContact O-N 3.36Å
322A86.8Confident85.5Confident8 Ų827.1 Ų27.17%0.06616%0.155CC..EExtended strand (participates in β ladder)trans-76.3140.4175.200000110.7F273 I320 M331 L336 T472F273-A322 HydrophobicContact CD1-CB 4.41Å; F273-A322 HydrophobicContact CE1-CB 3.89Å; I320-A322 PolarHBondContact O-N 3.14Å; A322-M331 HydrophobicContact CB-CE 3.9Å; A322-M331 HydrophobicContact CB-SD 3.51Å; A322-M331 VanDerWaalsContact CB-SD 3.51Å; A322-L336 HydrophobicContact CB-CD1 3.94Å; A322-L336 HydrophobicContact CB-CD2 4.13Å; A322-T472 HydrophobicContact CB-CG2 3.98Å
323A85.6Confident84.6Confident14 Ų1427.4 Ų27.412%0.11616%0.156CC..PPolyproline II helixtrans-66.9150.5177.900000112.2S325 N326 A473 V475A323-S325 PolarHBondContact O-N 3.34Å; A323-N326 PolarHBondContact N-ND2 3.14Å; A323-N326 PolarHBondContact O-N 3.08Å; A323-N326 PolarHBondContact O-ND2 3.27Å; A323-A473 HydrophobicContact CB-CB 4.15Å; A323-A473 PolarHBondContact N-O 3.3Å; A323-V475 HydrophobicContact CB-CG2 3.85Å
324Q79.9Confident83.5Confident100 Ų10024.8 Ų24.847%0.46714%0.144SC..THydrogen-bonded Turntrans-70.4-19.8-179.9-54.9-160.762.100113.2N326 E481Q324-N326 PolarHBondContact O-N 2.92Å; Q324-E481 PolarHBondContact NE2-OE1 3.37Å
325S82.6Confident82.1Confident104 Ų10425.5 Ų25.573%0.72715%0.149SC*.THydrogen-bonded Turntrans-70.4-11.9176.351.80000114.4A323A323-S325 PolarHBondContact O-N 3.34Å
326N84.6Confident80.5Confident16 Ų1626.3 Ų26.39%0.08615%0.153CC..SBendtrans-67.3148.5-178.5-75.8-67.1000112.6A323 Q324 K328 M331 T472 A473A323-N326 PolarHBondContact N-ND2 3.14Å; A323-N326 PolarHBondContact O-N 3.08Å; A323-N326 PolarHBondContact O-ND2 3.27Å; Q324-N326 PolarHBondContact O-N 2.92Å; N326-K328 PolarHBondContact O-N 2.83Å; N326-M331 HydrophobicContact CB-CG 3.89Å; N326-M331 HydrophobicContact CB-SD 3.91Å; N326-T472 HydrophobicContact CB-CG2 4.47Å; N326-A473 PolarHBondContact ND2-O 3.47Å; N326-A473 PolarHBondContact OD1-N 3.04Å
327P82.4Confident78.7Confident68 Ų6827 Ų2744%0.44216%0.157SC..  trans-55.6129.5174-25.134000112.3A329 A330 M331P327-A329 PolarHBondContact O-N 3.43Å; P327-A330 WeakPolarHBondContact O-CB 3.48Å; P327-A330 PolarHBondContact O-N 2.83Å; P327-M331 PolarHBondContact O-N 3.39Å
328K78.3Confident76.9Confident116 Ų11629.1 Ų29.150%0.50417%0.169SC..Hα-helixtrans-48.6-36.8179.1-61.9178.5171.3-144.50113.2N326 M331 A332 Q337 E343 T351N326-K328 PolarHBondContact O-N 2.83Å; K328-M331 PolarHBondContact O-N 2.92Å; K328-A332 VanDerWaalsContact O-CB 3.27Å; K328-A332 WeakPolarHBondContact O-CB 3.5Å; K328-A332 PolarHBondContact O-N 3.37Å; K328-Q337 PolarHBondContact O-OE1 3.36Å; K328-E343 WeakPolarHBondContact CD-OE1 3.22Å; K328-E343 WeakPolarHBondContact CE-OE1 3.44Å; K328-E343 IonicContact NZ-OE1 2.76Å; K328-E343 PolarHBondContact NZ-OE1 3.22Å; K328-T351 HydrophobicContact CB-CG2 4.38Å
329A75.3Confident75Confident12 Ų1234.2 Ų34.210%0.09919%0.193CC..Hα-helixtrans-63.2-43176.200000113.6P327 M331 A332 L333 Q355P327-A329 PolarHBondContact O-N 3.43Å; A329-M331 VanDerWaalsContact C-N 3.31Å; A329-M331 PolarHBondContact O-N 3.37Å; A329-A332 PolarHBondContact O-N 3.14Å; A329-L333 WeakPolarHBondContact O-CB 3.38Å; A329-L333 VanDerWaalsContact O-CG 3.26Å; A329-L333 WeakPolarHBondContact O-CG 3.45Å; A329-L333 PolarHBondContact O-N 2.96Å; A329-Q355 HydrophobicContact CB-CG 3.98Å
330A77Confident73.3Confident4 Ų436.3 Ų36.33%0.03320%0.2CC..Hα-helixtrans-65.8-38.1177.200000111.3P327 R334P327-A330 WeakPolarHBondContact O-CB 3.48Å; P327-A330 PolarHBondContact O-N 2.83Å; A330-R334 PolarHBondContact O-NH1 2.87Å
331M77Confident71.7Confident14 Ų1444.6 Ų44.67%0.06924%0.236CC..Hα-helixtrans-66.5-48.6175.5-64.6-68.1-83.800111.8A322 N326 P327 K328 A329 L333 R334 S335 L336 Q337A322-M331 HydrophobicContact CB-CE 3.9Å; A322-M331 HydrophobicContact CB-SD 3.51Å; A322-M331 VanDerWaalsContact CB-SD 3.51Å; N326-M331 HydrophobicContact CB-CG 3.89Å; N326-M331 HydrophobicContact CB-SD 3.91Å; P327-M331 PolarHBondContact O-N 3.39Å; K328-M331 PolarHBondContact O-N 2.92Å; A329-M331 VanDerWaalsContact C-N 3.31Å; A329-M331 PolarHBondContact O-N 3.37Å; M331-L333 PolarHBondContact O-N 3.18Å; M331-R334 PolarHBondContact O-N 3.41Å; M331-S335 PolarHBondContact O-N 2.93Å; M331-L336 HydrophobicContact CB-CB 4.13Å; M331-L336 HydrophobicContact CE-CB 3.84Å; M331-L336 WeakPolarHBondContact O-CB 3.33Å; M331-L336 PolarHBondContact O-N 2.85Å; M331-L336 HydrophobicContact SD-CB 3.89Å; M331-L336 HydrophobicContact SD-CD1 3.7Å; M331-L336 HydrophobicContact SD-CG 4.32Å; M331-Q337 HydrophobicContact CB-CG 3.77Å; M331-Q337 HydrophobicContact CE-CG 4.29Å; M331-Q337 HydrophobicContact CG-CG 4.48Å
332A72.6Confident70Confident0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-59.9-41.8178.400000113.1K328 A329 R334 S335 A348 T351K328-A332 VanDerWaalsContact O-CB 3.27Å; K328-A332 WeakPolarHBondContact O-CB 3.5Å; K328-A332 PolarHBondContact O-N 3.37Å; A329-A332 PolarHBondContact O-N 3.14Å; A332-R334 PolarHBondContact O-N 3.05Å; A332-S335 PolarHBondContact O-N 2.89Å; A332-A348 HydrophobicContact CB-CB 3.87Å; A332-T351 WeakPolarHBondContact CB-OG1 3.38Å
333L72.6Confident68.8Low8 Ų849.3 Ų49.34%0.04226%0.256CS..Hα-helixtrans-54.3-27.8-179-86.3168.4000114.6A329 M331 L352 W406 L466A329-L333 WeakPolarHBondContact O-CB 3.38Å; A329-L333 VanDerWaalsContact O-CG 3.26Å; A329-L333 WeakPolarHBondContact O-CG 3.45Å; A329-L333 PolarHBondContact O-N 2.96Å; M331-L333 PolarHBondContact O-N 3.18Å; L333-L352 HydrophobicContact CD2-CD1 4.04Å; L333-L352 HydrophobicContact CD2-CG 3.97Å; L333-W406 HydrophobicContact CD2-CZ2 3.74Å; L333-W406 VanDerWaalsContact O-CD1 3.29Å; L333-L466 HydrophobicContact CD1-CD1 4.27Å; L333-L466 HydrophobicContact CD1-CD2 3.87Å; L333-L466 HydrophobicContact CD2-CD1 3.79Å; L333-L466 HydrophobicContact CD2-CD2 3.68Å; L333-L466 HydrophobicContact CD2-CG 4.4Å; L333-L466 HydrophobicContact CG-CD2 4.44Å
334R69.3Low68.3Low17 Ų1753.1 Ų53.16%0.06428%0.278CS..THydrogen-bonded Turntrans-106.9-0.6-178-53.4-178.1-158.599.621.9111.9D157 G160 R297 A330 M331 A332 L336 T472D157-R334 IonicContact OD2-CZ 3.96Å; D157-R334 IonicContact OD2-NE 3.37Å; D157-R334 IonicContact OD2-NH2 3.13Å; D157-R334 PolarHBondContact OD2-NH2 2.72Å; G160-R334 VanDerWaalsContact C-CZ 3.44Å; G160-R334 VanDerWaalsContact C-NH2 3.3Å; G160-R334 PolarHBondContact O-NE 2.88Å; G160-R334 PolarHBondContact O-NH1 3.49Å; G160-R334 PolarHBondContact O-NH2 3.03Å; G160-R334 VanDerWaalsContact O-NH2 3.1Å; R297-R334 PolarHBondContact NE-O 2.94Å; R297-R334 PolarHBondContact NH2-O 3.47Å; A330-R334 PolarHBondContact O-NH1 2.87Å; M331-R334 PolarHBondContact O-N 3.41Å; A332-R334 PolarHBondContact O-N 3.05Å; R334-L336 HydrophobicContact CB-CD1 4.01Å; R334-L336 HydrophobicContact CB-CG 4.11Å; R334-T472 PolarHBondContact NH1-OG1 3.2Å
335S65.9Low68.4Low15 Ų1549.9 Ų49.911%0.10526%0.264CS..THydrogen-bonded Turntrans64.633.9-166.9-51.50000114.4R297 M331 A332 T407R297-S335 VanDerWaalsContact CZ-C 3.48Å; R297-S335 PolarHBondContact NE-O 3.29Å; M331-S335 PolarHBondContact O-N 2.93Å; A332-S335 PolarHBondContact O-N 2.89Å; S335-T407 WeakPolarHBondContact OG-CG2 3.38Å
336L61.2Low68.6Low17 Ų1746.8 Ų46.89%0.08924%0.24CC..  trans-67.2-35.1-176.7-74.5155.9000114P274 R297 A322 M331 R334P274-L336 HydrophobicContact CG-CD2 4.32Å; R297-L336 VanDerWaalsContact NH2-CD2 3.34Å; R297-L336 VanDerWaalsContact NH2-CG 3.31Å; A322-L336 HydrophobicContact CB-CD1 3.94Å; A322-L336 HydrophobicContact CB-CD2 4.13Å; M331-L336 HydrophobicContact CB-CB 4.13Å; M331-L336 HydrophobicContact CE-CB 3.84Å; M331-L336 WeakPolarHBondContact O-CB 3.33Å; M331-L336 PolarHBondContact O-N 2.85Å; M331-L336 HydrophobicContact SD-CB 3.89Å; M331-L336 HydrophobicContact SD-CD1 3.7Å; M331-L336 HydrophobicContact SD-CG 4.32Å; R334-L336 HydrophobicContact CB-CD1 4.01Å; R334-L336 HydrophobicContact CB-CG 4.11Å
337Q57.4Low68.7Low15 Ų1548.9 Ų48.97%0.0725%0.249CC..SBendtrans-92.2-21.3-172.7-73.5153-51.700115.8K328 M331 E339 D340 E343K328-Q337 PolarHBondContact O-OE1 3.36Å; M331-Q337 HydrophobicContact CB-CG 3.77Å; M331-Q337 HydrophobicContact CE-CG 4.29Å; M331-Q337 HydrophobicContact CG-CG 4.48Å; Q337-E339 VanDerWaalsContact C-N 3.31Å; Q337-E339 PolarHBondContact O-N 3.22Å; Q337-D340 PolarHBondContact O-N 2.77Å; Q337-E343 VanDerWaalsContact CD-OE2 3.29Å; Q337-E343 PolarHBondContact NE2-OE2 3.04Å; Q337-E343 PolarHBondContact OE1-OE2 3.4Å
338V52.8Low68.8Low45 Ų4545.7 Ų45.727%0.27323%0.228SC..THydrogen-bonded Turntrans-69-27.1-163.5179.50000113.2V345 A348 L403V338-V345 HydrophobicContact CG1-CG2 4Å; V338-A348 HydrophobicContact CG2-CB 4.19Å; V338-L403 HydrophobicContact CG2-CD1 4.1Å
339E50.5Low69.3Low106 Ų10640.2 Ų40.250%0.49520%0.204SC..THydrogen-bonded Turntrans-92-21.2179.5-66.3-176.2156.700113.5Q337 K341Q337-E339 VanDerWaalsContact C-N 3.31Å; Q337-E339 PolarHBondContact O-N 3.22Å; E339-K341 PolarHBondContact O-N 3.44Å
340D52Low70Confident61 Ų6145.1 Ų45.133%0.32622%0.22SC..THydrogen-bonded Turntrans-75.30.3177.5-89.4-8.1000113K132 Q337 Q342K132-D340 VanDerWaalsContact CE-OD2 3.23Å; K132-D340 WeakPolarHBondContact CE-OD2 3.42Å; K132-D340 IonicContact NZ-OD1 3.58Å; K132-D340 IonicContact NZ-OD2 2.65Å; K132-D340 PolarHBondContact NZ-OD2 3.17Å; Q337-D340 PolarHBondContact O-N 2.77Å; D340-Q342 HydrophobicContact CB-CG 4.23Å; D340-Q342 PolarHBondContact O-N 2.72Å; D340-Q342 VanDerWaalsContact O-N 3.12Å
341K54.3Low70.5Confident175 Ų17545.6 Ų45.676%0.76122%0.223SC*.THydrogen-bonded Turntrans60.410.2-176.5-52.9176.3-177.21720115.2E339E339-K341 PolarHBondContact O-N 3.44Å
342Q52.8Low71.1Confident99 Ų9945 Ų4546%0.46322%0.22SC..SBendtrans-77.9-29.7-176.8-70-178.6-36.500113.1D340D340-Q342 HydrophobicContact CB-CG 4.23Å; D340-Q342 PolarHBondContact O-N 2.72Å; D340-Q342 VanDerWaalsContact O-N 3.12Å
343E61.1Low71.9Confident29 Ų2946 Ų4614%0.13623%0.226CC..SBendtrans-138.1141.4178.4-62.7-163.3144.300113K328 Q337K328-E343 WeakPolarHBondContact CD-OE1 3.22Å; K328-E343 WeakPolarHBondContact CE-OE1 3.44Å; K328-E343 IonicContact NZ-OE1 2.76Å; K328-E343 PolarHBondContact NZ-OE1 3.22Å; Q337-E343 VanDerWaalsContact CD-OE2 3.29Å; Q337-E343 PolarHBondContact NE2-OE2 3.04Å; Q337-E343 PolarHBondContact OE1-OE2 3.4Å
344T73.8Confident72.7Confident95 Ų9552 Ų5258%0.58325%0.251SS*.  trans-65.8137.8174.7-52.70000110.7L346 E347 A348T344-L346 HydrophobicContact CG2-CB 4.18Å; T344-L346 HydrophobicContact CG2-CD1 4.25Å; T344-L346 HydrophobicContact CG2-CG 4.11Å; T344-L346 PolarHBondContact O-N 3.48Å; T344-E347 PolarHBondContact O-N 3.03Å; T344-A348 PolarHBondContact O-N 3.44Å
345V82.8Confident73.6Confident31 Ų3152.8 Ų52.819%0.18826%0.256CS..Hα-helixtrans-45.5-35.5177.8-163.20000113.1V338 V349 A399 L403V338-V345 HydrophobicContact CG1-CG2 4Å; V345-V349 WeakPolarHBondContact O-CG2 3.27Å; V345-V349 PolarHBondContact O-N 3.1Å; V345-A399 HydrophobicContact CB-CB 4.39Å; V345-A399 HydrophobicContact CG1-CB 3.76Å; V345-L403 HydrophobicContact CG1-CD1 3.66Å
346L86.9Confident74.7Confident40 Ų4052.9 Ų52.921%0.20926%0.256CS..Hα-helixtrans-65.1-36.4179.7-57.9175.3000113.6T344 V349 R350 L374 L377 A399T344-L346 HydrophobicContact CG2-CB 4.18Å; T344-L346 HydrophobicContact CG2-CD1 4.25Å; T344-L346 HydrophobicContact CG2-CG 4.11Å; T344-L346 PolarHBondContact O-N 3.48Å; L346-V349 PolarHBondContact O-N 3.29Å; L346-R350 PolarHBondContact O-N 3.15Å; L346-L374 HydrophobicContact CD1-CD2 4.22Å; L346-L374 HydrophobicContact CD2-CD2 4.36Å; L346-L377 HydrophobicContact CD2-CD1 3.59Å; L346-A399 HydrophobicContact CD2-CB 4Å
347E86Confident76.1Confident60 Ų6055.1 Ų55.128%0.2827%0.268SS..Hα-helixtrans-76.8-36.3179.4-170.758.2-14600110.6T344 V349 R350 T351T344-E347 PolarHBondContact O-N 3.03Å; E347-V349 VanDerWaalsContact C-N 3.29Å; E347-V349 PolarHBondContact O-N 3.35Å; E347-R350 CarbonylContact O-C 3.6Å; E347-R350 WeakPolarHBondContact O-CA 3.49Å; E347-R350 WeakPolarHBondContact O-CB 3.27Å; E347-R350 PolarHBondContact O-N 2.92Å; E347-R350 WeakPolarHBondContact OE1-CD 3.29Å; E347-R350 IonicContact OE1-NH1 2.78Å; E347-R350 WeakPolarHBondContact OE2-CD 3.45Å; E347-R350 IonicContact OE2-CZ 3.13Å; E347-R350 IonicContact OE2-NE 2.69Å; E347-R350 IonicContact OE2-NH1 2.69Å; E347-R350 PolarHBondContact OE2-NH1 2.73Å; E347-T351 PolarHBondContact O-N 3.26Å; E347-T351 PolarHBondContact O-OG1 3.41Å
348A85.5Confident77.7Confident1 Ų158 Ų581%0.00828%0.28CS..Hα-helixtrans-57.4-41.4170.200000111.9A332 V338 T344 T351 L352 L403A332-A348 HydrophobicContact CB-CB 3.87Å; V338-A348 HydrophobicContact CG2-CB 4.19Å; T344-A348 PolarHBondContact O-N 3.44Å; A348-T351 PolarHBondContact O-OG1 3.06Å; A348-L352 VanDerWaalsContact O-CB 3.25Å; A348-L352 WeakPolarHBondContact O-CB 3.3Å; A348-L352 PolarHBondContact O-N 2.78Å; A348-L352 VanDerWaalsContact O-N 3.08Å; A348-L403 HydrophobicContact CB-CD1 4.09Å
349V89.1Confident79.6Confident0 Ų062.9 Ų62.90%030%0.3CS..Hα-helixtrans-66.2-39.4172.3175.50000111.8V345 L346 E347 L352 L353 L377 A399 F402 L403V345-V349 WeakPolarHBondContact O-CG2 3.27Å; V345-V349 PolarHBondContact O-N 3.1Å; L346-V349 PolarHBondContact O-N 3.29Å; E347-V349 VanDerWaalsContact C-N 3.29Å; E347-V349 PolarHBondContact O-N 3.35Å; V349-L352 PolarHBondContact O-N 2.71Å; V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.16Å; V349-L353 WeakPolarHBondContact O-CB 3.35Å; V349-L353 WeakPolarHBondContact O-CG 3.46Å; V349-L353 PolarHBondContact O-N 3.41Å; V349-L377 HydrophobicContact CB-CD1 4.45Å; V349-L377 HydrophobicContact CG1-CD1 4.16Å; V349-L377 HydrophobicContact CG1-CD2 4.13Å; V349-L377 HydrophobicContact CG1-CG 4.18Å; V349-A399 HydrophobicContact CG2-CB 3.81Å; V349-F402 HydrophobicContact CB-CD1 4.48Å; V349-F402 HydrophobicContact CG1-CD1 3.97Å; V349-F402 HydrophobicContact CG1-CE1 3.93Å; V349-F402 HydrophobicContact CG2-CD1 3.83Å; V349-F402 HydrophobicContact CG2-CE1 4.35Å; V349-L403 HydrophobicContact CG2-CD1 4.26Å; V349-L403 HydrophobicContact CG2-CD2 3.97Å; V349-L403 HydrophobicContact CG2-CG 3.91Å
350R90.1Very high81.5Confident115 Ų11559.4 Ų59.443%0.43428%0.284SS..Hα-helixtrans-64.3-44.8177.7-169.4-169.9-177.8-1671.7112.2L346 E347 L352 K354L346-R350 PolarHBondContact O-N 3.15Å; E347-R350 CarbonylContact O-C 3.6Å; E347-R350 WeakPolarHBondContact O-CA 3.49Å; E347-R350 WeakPolarHBondContact O-CB 3.27Å; E347-R350 PolarHBondContact O-N 2.92Å; E347-R350 WeakPolarHBondContact OE1-CD 3.29Å; E347-R350 IonicContact OE1-NH1 2.78Å; E347-R350 WeakPolarHBondContact OE2-CD 3.45Å; E347-R350 IonicContact OE2-CZ 3.13Å; E347-R350 IonicContact OE2-NE 2.69Å; E347-R350 IonicContact OE2-NH1 2.69Å; E347-R350 PolarHBondContact OE2-NH1 2.73Å; R350-L352 VanDerWaalsContact C-N 3.32Å; R350-K354 WeakPolarHBondContact O-CG 3.45Å; R350-K354 PolarHBondContact O-N 2.89Å
351T87.8Confident83.4Confident15 Ų1556.6 Ų56.69%0.09227%0.269CS..Hα-helixtrans-65.2-37.6176.953.20000111.6K328 A332 E347 A348K328-T351 HydrophobicContact CB-CG2 4.38Å; A332-T351 WeakPolarHBondContact CB-OG1 3.38Å; E347-T351 PolarHBondContact O-N 3.26Å; E347-T351 PolarHBondContact O-OG1 3.41Å; A348-T351 PolarHBondContact O-OG1 3.06Å
352L88.3Confident85.2Confident0 Ų050.1 Ų50.10%024%0.242CC..Hα-helixtrans-67.5-51.3178.7-168155000111.5L333 A348 V349 R350 K354 Q355 C356 F402 L403 W406L333-L352 HydrophobicContact CD2-CD1 4.04Å; L333-L352 HydrophobicContact CD2-CG 3.97Å; A348-L352 VanDerWaalsContact O-CB 3.25Å; A348-L352 WeakPolarHBondContact O-CB 3.3Å; A348-L352 PolarHBondContact O-N 2.78Å; A348-L352 VanDerWaalsContact O-N 3.08Å; V349-L352 PolarHBondContact O-N 2.71Å; R350-L352 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.87Å; L352-K354 VanDerWaalsContact O-N 3.15Å; L352-Q355 PolarHBondContact O-N 2.61Å; L352-C356 PolarHBondContact O-N 3.3Å; L352-C356 PolarHBondContact O-SG 3.15Å; L352-C356 VanDerWaalsContact O-SG 3.34Å; L352-F402 HydrophobicContact CD2-CE1 3.9Å; L352-F402 HydrophobicContact CD2-CZ 3.93Å; L352-L403 HydrophobicContact CD1-CD2 4.04Å; L352-W406 HydrophobicContact CD1-CD2 3.71Å; L352-W406 HydrophobicContact CD1-CE3 4.23Å; L352-W406 HydrophobicContact CD1-CG 3.85Å; L352-W406 HydrophobicContact CD1-CZ2 4.48Å; L352-W406 HydrophobicContact CD2-CD2 3.93Å; L352-W406 HydrophobicContact CD2-CE3 3.63Å; L352-W406 HydrophobicContact CD2-CH2 3.85Å; L352-W406 HydrophobicContact CD2-CZ2 4.04Å; L352-W406 HydrophobicContact CD2-CZ3 3.62Å; L352-W406 HydrophobicContact CG-CD2 4.34Å; L352-W406 HydrophobicContact CG-CZ2 4.4Å
353L90.3Very high87.1Confident23 Ų2351.3 Ų51.312%0.1225%0.251CS..Hα-helixtrans-59.7-28.1179.4-71.6172.4000113V349 Q355 C356 V361 F370 F376 F402V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.16Å; V349-L353 WeakPolarHBondContact O-CB 3.35Å; V349-L353 WeakPolarHBondContact O-CG 3.46Å; V349-L353 PolarHBondContact O-N 3.41Å; L353-Q355 VanDerWaalsContact C-N 3.3Å; L353-Q355 PolarHBondContact O-N 3.14Å; L353-C356 PolarHBondContact O-N 3.37Å; L353-V361 HydrophobicContact CD2-CG1 3.86Å; L353-V361 HydrophobicContact CD2-CG2 4.33Å; L353-F370 HydrophobicContact CD1-CE2 4.48Å; L353-F370 HydrophobicContact CD2-CZ 4.4Å; L353-F376 HydrophobicContact CD1-CB 4.18Å; L353-F376 HydrophobicContact CD1-CD1 3.67Å; L353-F376 HydrophobicContact CD1-CE1 4.34Å; L353-F376 HydrophobicContact CD1-CG 4.03Å; L353-F376 HydrophobicContact CD2-CD1 4.35Å; L353-F376 HydrophobicContact CD2-CE1 4.36Å; L353-F402 HydrophobicContact CD2-CZ 3.97Å
354K89.8Confident88.5Confident134 Ų13453.9 Ų53.958%0.58326%0.263SS*.THydrogen-bonded Turntrans-67.8-22.4172.7-76174.7175.6-178.20114.2R350 L352R350-K354 WeakPolarHBondContact O-CG 3.45Å; R350-K354 PolarHBondContact O-N 2.89Å; L352-K354 PolarHBondContact O-N 2.87Å; L352-K354 VanDerWaalsContact O-N 3.15Å
355Q87.4Confident89.3Confident33 Ų3350.1 Ų50.115%0.15424%0.238CC..THydrogen-bonded Turntrans-96-4.9178.7-55.9-47.1-63.800113.3A329 L352 L353 L466 L467A329-Q355 HydrophobicContact CB-CG 3.98Å; L352-Q355 PolarHBondContact O-N 2.61Å; L353-Q355 VanDerWaalsContact C-N 3.3Å; L353-Q355 PolarHBondContact O-N 3.14Å; Q355-L466 HydrophobicContact CB-CD1 3.64Å; Q355-L467 PolarHBondContact O-N 3.32Å
356C89.4Confident89.8Confident16 Ų1654.3 Ų54.311%0.10826%0.259CS..BIsolated β-bridgetrans-108.3151.5-174.3-60.70000112.1L352 L353 K358 V361 W406 I464L352-C356 PolarHBondContact O-N 3.3Å; L352-C356 PolarHBondContact O-SG 3.15Å; L352-C356 VanDerWaalsContact O-SG 3.34Å; L353-C356 PolarHBondContact O-N 3.37Å; C356-K358 PolarHBondContact O-N 2.71Å; C356-K358 VanDerWaalsContact O-N 3.16Å; C356-V361 HydrophobicContact CB-CG2 3.92Å; C356-W406 WeakPolarHBondContact SG-CH2 3.43Å; C356-I464 HydrophobicContact CB-CG2 3.91Å
357N91Very high90.1Very high64 Ų6452.7 Ų52.734%0.34225%0.251SS..  trans-67.3114.8167.5-175.3-27.8000110.6Q359 Q360 V361 V465N357-Q359 VanDerWaalsContact C-N 3.32Å; N357-Q359 PolarHBondContact O-N 2.92Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.23Å; N357-Q359 PolarHBondContact OD1-N 3.3Å; N357-Q360 HydrophobicContact CB-CB 4.38Å; N357-Q360 HydrophobicContact CB-CG 4.14Å; N357-Q360 PolarHBondContact O-N 2.85Å; N357-V361 PolarHBondContact O-N 3.43Å; N357-V361 VanDerWaalsContact O-N 3.15Å; N357-V465 PolarHBondContact N-O 3.44Å
358K90.8Very high90.5Very high76 Ų7653.5 Ų53.533%0.3326%0.262SS..Hα-helixtrans-50.9-45178.1177.7-179.5164.7-178.20113.2C356 Q360 V361 M362 D369 F370C356-K358 PolarHBondContact O-N 2.71Å; C356-K358 VanDerWaalsContact O-N 3.16Å; K358-Q360 VanDerWaalsContact C-N 3.33Å; K358-Q360 PolarHBondContact O-N 3.05Å; K358-V361 PolarHBondContact O-N 3.31Å; K358-M362 HydrophobicContact CD-SD 4.42Å; K358-M362 HydrophobicContact CG-CG 4.45Å; K358-M362 HydrophobicContact CG-SD 3.86Å; K358-M362 VanDerWaalsContact O-CG 3.3Å; K358-M362 WeakPolarHBondContact O-CG 3.04Å; K358-M362 PolarHBondContact O-N 2.78Å; K358-D369 WeakPolarHBondContact CE-OD1 3.3Å; K358-D369 IonicContact NZ-OD1 3.89Å; K358-D369 PolarHBondContact NZ-OD1 2.76Å; K358-D369 IonicContact NZ-OD2 3.26Å; K358-D369 PolarHBondContact NZ-OD2 3.19Å; K358-F370 WeakPolarHBondContact CE-O 3.44Å; K358-F370 HydrophobicContact CG-CE1 4.25Å; K358-F370 HydrophobicContact CG-CE2 4.32Å; K358-F370 HydrophobicContact CG-CZ 3.95Å; K358-F370 PolarHBondContact NZ-O 3.16Å
359Q91.3Very high90.9Very high147 Ų14758 Ų5869%0.68729%0.285SS*.Hα-helixtrans-63.8-38.9-177.1-64.6174.4-3100111.8N357 M362 L363N357-Q359 VanDerWaalsContact C-N 3.32Å; N357-Q359 PolarHBondContact O-N 2.92Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.23Å; N357-Q359 PolarHBondContact OD1-N 3.3Å; Q359-M362 WeakPolarHBondContact O-CB 3.26Å; Q359-M362 PolarHBondContact O-N 3Å; Q359-L363 PolarHBondContact O-N 3.43Å
360Q91.3Very high91.1Very high34 Ų3458.6 Ų58.616%0.15929%0.288CS..Hα-helixtrans-72.5-36.7179-61.4-175.6-60.900111.6N357 K358 L363 Q364 S463 I464N357-Q360 HydrophobicContact CB-CB 4.38Å; N357-Q360 HydrophobicContact CB-CG 4.14Å; N357-Q360 PolarHBondContact O-N 2.85Å; K358-Q360 VanDerWaalsContact C-N 3.33Å; K358-Q360 PolarHBondContact O-N 3.05Å; Q360-L363 PolarHBondContact O-N 2.96Å; Q360-Q364 WeakPolarHBondContact O-CB 3.41Å; Q360-Q364 PolarHBondContact O-N 3.48Å; Q360-S463 PolarHBondContact NE2-O 3.2Å; Q360-I464 HydrophobicContact CB-CB 4.46Å; Q360-I464 HydrophobicContact CB-CG1 4.1Å; Q360-I464 HydrophobicContact CB-CG2 4.46Å
361V91.9Very high91.2Very high1 Ų163.5 Ų63.51%0.00631%0.306CS..Hα-helixtrans-62.4-44.6170.9175.60000110.8L353 C356 N357 K358 Y365 F370 F376 I464L353-V361 HydrophobicContact CD2-CG1 3.86Å; L353-V361 HydrophobicContact CD2-CG2 4.33Å; C356-V361 HydrophobicContact CB-CG2 3.92Å; N357-V361 PolarHBondContact O-N 3.43Å; N357-V361 VanDerWaalsContact O-N 3.15Å; K358-V361 PolarHBondContact O-N 3.31Å; V361-Y365 HydrophobicContact CG1-CD2 4.18Å; V361-Y365 WeakPolarHBondContact O-CD2 3.25Å; V361-Y365 PolarHBondContact O-N 2.93Å; V361-Y365 VanDerWaalsContact O-N 3.12Å; V361-F370 HydrophobicContact CG1-CE1 4.38Å; V361-F370 HydrophobicContact CG1-CZ 4.25Å; V361-F376 HydrophobicContact CG1-CD2 4.19Å; V361-F376 HydrophobicContact CG1-CE2 3.54Å; V361-F376 HydrophobicContact CG1-CZ 3.91Å; V361-I464 HydrophobicContact CG2-CD1 4.14Å; V361-I464 HydrophobicContact CG2-CG2 4.2Å
362M93.1Very high91.4Very high39 Ų3968 Ų6819%0.19233%0.33CS..Hα-helixtrans-57.8-47.7175.1-73.6166.857.800111.4K358 Q359 N366 V367 D369 F370K358-M362 HydrophobicContact CD-SD 4.42Å; K358-M362 HydrophobicContact CG-CG 4.45Å; K358-M362 HydrophobicContact CG-SD 3.86Å; K358-M362 VanDerWaalsContact O-CG 3.3Å; K358-M362 WeakPolarHBondContact O-CG 3.04Å; K358-M362 PolarHBondContact O-N 2.78Å; Q359-M362 WeakPolarHBondContact O-CB 3.26Å; Q359-M362 PolarHBondContact O-N 3Å; M362-N366 CarbonylContact O-C 3.55Å; M362-N366 WeakPolarHBondContact O-CA 3.33Å; M362-N366 PolarHBondContact O-N 3.31Å; M362-V367 WeakPolarHBondContact CB-O 3.3Å; M362-V367 PolarHBondContact O-N 3.01Å; M362-D369 HydrophobicContact CE-CB 3.92Å; M362-D369 HydrophobicContact SD-CB 4.49Å; M362-F370 HydrophobicContact CG-CD1 3.97Å; M362-F370 HydrophobicContact CG-CE1 3.64Å
363L91.4Very high91.6Very high125 Ų12568.9 Ų68.965%0.65434%0.336SS*.Hα-helixtrans-65.1-49.6179-177.162.8000112.3Q359 Q360 Y365 N366Q359-L363 PolarHBondContact O-N 3.43Å; Q360-L363 PolarHBondContact O-N 2.96Å; L363-Y365 PolarHBondContact O-N 3.08Å; L363-N366 PolarHBondContact O-N 2.69Å
364Q89.8Confident91.8Very high82 Ų8272.2 Ų72.238%0.38335%0.354SS..Hα-helixtrans-63.4-38-174.2179.460.97.200113.1Q360 L411 I464Q360-Q364 WeakPolarHBondContact O-CB 3.41Å; Q360-Q364 PolarHBondContact O-N 3.48Å; Q364-L411 HydrophobicContact CG-CD1 3.59Å; Q364-I464 HydrophobicContact CB-CD1 4.24Å; Q364-I464 HydrophobicContact CG-CD1 4.18Å
365Y91.3Very high92Very high17 Ų1768.9 Ų68.97%0.06734%0.34CS..Hα-helixtrans-92.7-9.5173.6-67.7-83.6000112.4V361 L363 F376 F380 K383 F402 L411V361-Y365 HydrophobicContact CG1-CD2 4.18Å; V361-Y365 WeakPolarHBondContact O-CD2 3.25Å; V361-Y365 PolarHBondContact O-N 2.93Å; V361-Y365 VanDerWaalsContact O-N 3.12Å; L363-Y365 PolarHBondContact O-N 3.08Å; Y365-F376 HydrophobicContact CD2-CZ 4.26Å; Y365-F376 HydrophobicContact CG-CZ 4.39Å; Y365-F380 AromaticContact CD1-CD2 3.88Å; Y365-F380 HydrophobicContact CD1-CD2 3.88Å; Y365-F380 AromaticContact CD1-CE2 3.41Å; Y365-F380 HydrophobicContact CD1-CE2 3.41Å; Y365-F380 VanDerWaalsContact CD1-CE2 3.41Å; Y365-F380 HydrophobicContact CD1-CZ 4.02Å; Y365-F380 AromaticContact CE1-CE2 3.87Å; Y365-F380 HydrophobicContact CE1-CE2 3.87Å; Y365-F380 AromaticContact CE1-CZ 3.99Å; Y365-F380 HydrophobicContact CE1-CZ 3.99Å; Y365-F380 HydrophobicContact CG-CD2 4.49Å; Y365-F380 HydrophobicContact CG-CE2 4.41Å; Y365-K383 WeakPolarHBondContact O-CD 3.46Å; Y365-K383 PolarHBondContact O-NZ 3.43Å; Y365-F402 HydrophobicContact CD2-CE2 4.29Å; Y365-F402 HydrophobicContact CE1-CD2 4.09Å; Y365-F402 AromaticContact CE2-CD2 3.96Å; Y365-F402 HydrophobicContact CE2-CD2 3.96Å; Y365-F402 AromaticContact CE2-CE2 3.58Å; Y365-F402 HydrophobicContact CE2-CE2 3.58Å; Y365-F402 AromaticContact CZ-CD2 3.63Å; Y365-F402 AromaticContact CZ-CE2 3.71Å; Y365-L411 HydrophobicContact CE2-CD1 4.24Å
366N92.6Very high92.4Very high118 Ų11867.3 Ų67.363%0.63133%0.333SS*.THydrogen-bonded Turntrans46.463.1-171.4165.48.7000109.6M362 L363 K383M362-N366 CarbonylContact O-C 3.55Å; M362-N366 WeakPolarHBondContact O-CA 3.33Å; M362-N366 PolarHBondContact O-N 3.31Å; L363-N366 PolarHBondContact O-N 2.69Å; N366-K383 PolarHBondContact ND2-NZ 3.37Å; N366-K383 VanDerWaalsContact O-CD 3.31Å; N366-K383 WeakPolarHBondContact O-CD 3.32Å; N366-K383 PolarHBondContact O-NZ 3.12Å
367V93.8Very high92.7Very high7 Ų766.6 Ų66.64%0.04233%0.328CS..  trans-115137.5-178.5163.70000107.3M362 F370 F376 F379 F380M362-V367 WeakPolarHBondContact CB-O 3.3Å; M362-V367 PolarHBondContact O-N 3.01Å; V367-F370 HydrophobicContact CG1-CD1 4.23Å; V367-F376 HydrophobicContact CB-CE2 4.46Å; V367-F376 HydrophobicContact CG1-CD2 3.92Å; V367-F376 HydrophobicContact CG1-CE2 4.31Å; V367-F376 HydrophobicContact CG2-CE2 4.34Å; V367-F379 HydrophobicContact CG1-CB 3.71Å; V367-F379 HydrophobicContact CG1-CD2 4.18Å; V367-F379 HydrophobicContact CG1-CG 4.41Å; V367-F380 HydrophobicContact CG2-CB 4.41Å
368P93.8Very high92.9Very high77 Ų7765.1 Ų65.150%0.532%0.323SS..  trans-62.6172.3177.527.9-37.5000112.2F370 F379P368-F370 PolarHBondContact O-N 2.69Å; P368-F379 HydrophobicContact CG-CB 4.35Å; P368-F379 HydrophobicContact CG-CD1 4.11Å; P368-F379 HydrophobicContact CG-CD2 3.74Å; P368-F379 HydrophobicContact CG-CE1 4.33Å; P368-F379 HydrophobicContact CG-CE2 3.94Å; P368-F379 HydrophobicContact CG-CG 3.83Å; P368-F379 HydrophobicContact CG-CZ 4.25Å
369D94.8Very high93.1Very high94 Ų9464 Ų6450%0.50332%0.318SS..  trans-56.3136.6177.8-162.974.5000111.6K358 M362K358-D369 WeakPolarHBondContact CE-OD1 3.3Å; K358-D369 IonicContact NZ-OD1 3.89Å; K358-D369 PolarHBondContact NZ-OD1 2.76Å; K358-D369 IonicContact NZ-OD2 3.26Å; K358-D369 PolarHBondContact NZ-OD2 3.19Å; M362-D369 HydrophobicContact CE-CB 3.92Å; M362-D369 HydrophobicContact SD-CB 4.49Å
370F93.9Very high93.3Very high13 Ų1357.1 Ų57.16%0.05729%0.286CS..  trans-134.5143.6-178.662-95000111L353 K358 V361 M362 V367 P368 E375 F376 F379L353-F370 HydrophobicContact CD1-CE2 4.48Å; L353-F370 HydrophobicContact CD2-CZ 4.4Å; K358-F370 WeakPolarHBondContact CE-O 3.44Å; K358-F370 HydrophobicContact CG-CE1 4.25Å; K358-F370 HydrophobicContact CG-CE2 4.32Å; K358-F370 HydrophobicContact CG-CZ 3.95Å; K358-F370 PolarHBondContact NZ-O 3.16Å; V361-F370 HydrophobicContact CG1-CE1 4.38Å; V361-F370 HydrophobicContact CG1-CZ 4.25Å; M362-F370 HydrophobicContact CG-CD1 3.97Å; M362-F370 HydrophobicContact CG-CE1 3.64Å; V367-F370 HydrophobicContact CG1-CD1 4.23Å; P368-F370 PolarHBondContact O-N 2.69Å; F370-E375 HydrophobicContact CB-CB 4.37Å; F370-E375 HydrophobicContact CB-CG 4.03Å; F370-F376 HydrophobicContact CB-CB 4.28Å; F370-F376 HydrophobicContact CD1-CB 4.01Å; F370-F376 AromaticContact CD1-CD2 3.84Å; F370-F376 HydrophobicContact CD1-CD2 3.84Å; F370-F376 HydrophobicContact CD1-CG 4.39Å; F370-F376 HydrophobicContact CD2-CB 3.71Å; F370-F376 HydrophobicContact CE1-CB 4.22Å; F370-F376 AromaticContact CE1-CD2 3.52Å; F370-F376 HydrophobicContact CE1-CD2 3.52Å; F370-F376 HydrophobicContact CE1-CE2 4.33Å; F370-F376 HydrophobicContact CE1-CG 4.22Å; F370-F376 HydrophobicContact CE2-CB 3.95Å; F370-F376 HydrophobicContact CE2-CD2 4.49Å; F370-F376 HydrophobicContact CE2-CG 4.43Å; F370-F376 HydrophobicContact CG-CB 3.74Å; F370-F376 HydrophobicContact CG-CD2 4.44Å; F370-F376 HydrophobicContact CZ-CB 4.19Å; F370-F376 AromaticContact CZ-CD2 3.88Å; F370-F376 HydrophobicContact CZ-CD2 3.88Å; F370-F376 HydrophobicContact CZ-CG 4.23Å; F370-F379 HydrophobicContact CB-CD2 4.39Å; F370-F379 HydrophobicContact CB-CE2 4.39Å
371R91.4Very high93.5Very high218 Ų21855.5 Ų55.582%0.82328%0.278SS*.SBendtrans-90-40.4177-56.9178-176.9-175.5-0.5111.1E375R371-E375 WeakPolarHBondContact CB-OE2 3.3Å; R371-E375 PolarHBondContact N-OE2 3.14Å
372N92.6Very high93.7Very high110 Ų11061.3 Ų61.359%0.58830%0.303SS*.SBendtrans-125.7157.5-170.2-70.2-43.4000113L374 E375 F376N372-L374 VanDerWaalsContact C-N 3.3Å; N372-L374 PolarHBondContact O-N 3.32Å; N372-E375 HydrophobicContact CB-CB 4.47Å; N372-E375 WeakPolarHBondContact O-CB 3.34Å; N372-E375 PolarHBondContact O-N 2.8Å; N372-E375 VanDerWaalsContact O-N 3.1Å; N372-F376 PolarHBondContact O-N 3.03Å
373S92.7Very high93.7Very high18 Ų1864.5 Ų64.513%0.12632%0.316CS..Hα-helixtrans-59.6-38.1176.355.90000112.9E375 F376 L377S373-E375 VanDerWaalsContact C-N 3.3Å; S373-E375 PolarHBondContact O-N 2.73Å; S373-F376 PolarHBondContact O-N 3.36Å; S373-L377 WeakPolarHBondContact O-CB 3.35Å; S373-L377 WeakPolarHBondContact O-CG 3.38Å; S373-L377 PolarHBondContact O-N 3.31Å
374L93.4Very high93.7Very high94 Ų9463.8 Ų63.849%0.49231%0.305SS..Hα-helixtrans-64.8-33.2175.9-64.7177.1000112.9L346 N372 S378L346-L374 HydrophobicContact CD1-CD2 4.22Å; L346-L374 HydrophobicContact CD2-CD2 4.36Å; N372-L374 VanDerWaalsContact C-N 3.3Å; N372-L374 PolarHBondContact O-N 3.32Å; L374-S378 WeakPolarHBondContact O-CB 3.18Å; L374-S378 PolarHBondContact O-N 3.27Å; L374-S378 PolarHBondContact O-OG 3.08Å
375E94.8Very high93.9Very high64 Ų6462.3 Ų62.330%0.29931%0.312SS..Hα-helixtrans-74.1-46.6177.9179.3174.3-145.900110.7F370 R371 N372 S373 L377 S378 F379F370-E375 HydrophobicContact CB-CB 4.37Å; F370-E375 HydrophobicContact CB-CG 4.03Å; R371-E375 WeakPolarHBondContact CB-OE2 3.3Å; R371-E375 PolarHBondContact N-OE2 3.14Å; N372-E375 HydrophobicContact CB-CB 4.47Å; N372-E375 WeakPolarHBondContact O-CB 3.34Å; N372-E375 PolarHBondContact O-N 2.8Å; N372-E375 VanDerWaalsContact O-N 3.1Å; S373-E375 VanDerWaalsContact C-N 3.3Å; S373-E375 PolarHBondContact O-N 2.73Å; E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 2.7Å; E375-S378 WeakPolarHBondContact O-CB 2.91Å; E375-S378 PolarHBondContact O-N 3.37Å; E375-S378 VanDerWaalsContact O-N 3.08Å; E375-F379 HydrophobicContact CG-CD2 3.93Å; E375-F379 HydrophobicContact CG-CE2 3.36Å; E375-F379 HydrophobicContact CG-CZ 3.86Å; E375-F379 WeakPolarHBondContact O-CD2 3.44Å; E375-F379 PolarHBondContact O-N 3.48Å
376F95.7Very high94.1Very high0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-51.1-50.9168.6169.1-101.8000111.6L353 V361 Y365 V367 F370 N372 S373 S378 F379 F380 F402L353-F376 HydrophobicContact CD1-CB 4.18Å; L353-F376 HydrophobicContact CD1-CD1 3.67Å; L353-F376 HydrophobicContact CD1-CE1 4.34Å; L353-F376 HydrophobicContact CD1-CG 4.03Å; L353-F376 HydrophobicContact CD2-CD1 4.35Å; L353-F376 HydrophobicContact CD2-CE1 4.36Å; V361-F376 HydrophobicContact CG1-CD2 4.19Å; V361-F376 HydrophobicContact CG1-CE2 3.54Å; V361-F376 HydrophobicContact CG1-CZ 3.91Å; Y365-F376 HydrophobicContact CD2-CZ 4.26Å; Y365-F376 HydrophobicContact CG-CZ 4.39Å; V367-F376 HydrophobicContact CB-CE2 4.46Å; V367-F376 HydrophobicContact CG1-CD2 3.92Å; V367-F376 HydrophobicContact CG1-CE2 4.31Å; V367-F376 HydrophobicContact CG2-CE2 4.34Å; F370-F376 HydrophobicContact CB-CB 4.28Å; F370-F376 HydrophobicContact CD1-CB 4.01Å; F370-F376 AromaticContact CD1-CD2 3.84Å; F370-F376 HydrophobicContact CD1-CD2 3.84Å; F370-F376 HydrophobicContact CD1-CG 4.39Å; F370-F376 HydrophobicContact CD2-CB 3.71Å; F370-F376 HydrophobicContact CE1-CB 4.22Å; F370-F376 AromaticContact CE1-CD2 3.52Å; F370-F376 HydrophobicContact CE1-CD2 3.52Å; F370-F376 HydrophobicContact CE1-CE2 4.33Å; F370-F376 HydrophobicContact CE1-CG 4.22Å; F370-F376 HydrophobicContact CE2-CB 3.95Å; F370-F376 HydrophobicContact CE2-CD2 4.49Å; F370-F376 HydrophobicContact CE2-CG 4.43Å; F370-F376 HydrophobicContact CG-CB 3.74Å; F370-F376 HydrophobicContact CG-CD2 4.44Å; F370-F376 HydrophobicContact CZ-CB 4.19Å; F370-F376 AromaticContact CZ-CD2 3.88Å; F370-F376 HydrophobicContact CZ-CD2 3.88Å; F370-F376 HydrophobicContact CZ-CG 4.23Å; N372-F376 PolarHBondContact O-N 3.03Å; S373-F376 PolarHBondContact O-N 3.36Å; F376-S378 VanDerWaalsContact C-N 3.29Å; F376-S378 PolarHBondContact O-N 2.83Å; F376-F379 PolarHBondContact O-N 2.78Å; F376-F380 HydrophobicContact CZ-CB 4.46Å; F376-F380 VanDerWaalsContact O-CB 3.28Å; F376-F380 WeakPolarHBondContact O-CB 3.4Å; F376-F380 PolarHBondContact O-N 3.22Å; F376-F402 AromaticContact CE1-CD2 3.7Å; F376-F402 HydrophobicContact CE1-CD2 3.7Å; F376-F402 AromaticContact CE1-CE2 3.67Å; F376-F402 HydrophobicContact CE1-CE2 3.67Å; F376-F402 HydrophobicContact CE1-CG 4.15Å; F376-F402 HydrophobicContact CE1-CZ 4.09Å; F376-F402 AromaticContact CZ-CD2 3.75Å; F376-F402 HydrophobicContact CZ-CD2 3.75Å; F376-F402 AromaticContact CZ-CE2 3.57Å; F376-F402 HydrophobicContact CZ-CE2 3.57Å; F376-F402 HydrophobicContact CZ-CZ 4.31Å
377L95.3Very high94.2Very high0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-62.3-36178.8-73.7173.5000112.3L346 V349 S373 E375 A381 T395 A398 A399L346-L377 HydrophobicContact CD2-CD1 3.59Å; V349-L377 HydrophobicContact CB-CD1 4.45Å; V349-L377 HydrophobicContact CG1-CD1 4.16Å; V349-L377 HydrophobicContact CG1-CD2 4.13Å; V349-L377 HydrophobicContact CG1-CG 4.18Å; S373-L377 WeakPolarHBondContact O-CB 3.35Å; S373-L377 WeakPolarHBondContact O-CG 3.38Å; S373-L377 PolarHBondContact O-N 3.31Å; E375-L377 VanDerWaalsContact C-N 3.31Å; E375-L377 PolarHBondContact O-N 2.7Å; L377-A381 WeakPolarHBondContact O-CB 3.33Å; L377-A381 PolarHBondContact O-N 3.08Å; L377-T395 HydrophobicContact CB-CG2 4.21Å; L377-A398 HydrophobicContact CD2-CB 4.16Å; L377-A399 HydrophobicContact CD1-CB 3.89Å; L377-A399 HydrophobicContact CD2-CB 3.82Å
378S95.4Very high94.1Very high34 Ų3466.5 Ų66.524%0.23833%0.329CS..Hα-helixtrans-67.7-42176.5-640000112.2L374 E375 F376 K382L374-S378 WeakPolarHBondContact O-CB 3.18Å; L374-S378 PolarHBondContact O-N 3.27Å; L374-S378 PolarHBondContact O-OG 3.08Å; E375-S378 WeakPolarHBondContact O-CB 2.91Å; E375-S378 PolarHBondContact O-N 3.37Å; E375-S378 VanDerWaalsContact O-N 3.08Å; F376-S378 VanDerWaalsContact C-N 3.29Å; F376-S378 PolarHBondContact O-N 2.83Å; S378-K382 VanDerWaalsContact O-CG 3.27Å; S378-K382 WeakPolarHBondContact O-CG 3.27Å; S378-K382 PolarHBondContact O-N 2.92Å
379F95.8Very high94Very high53 Ų5372.6 Ų72.623%0.23235%0.348CS..Hα-helixtrans-70-42.8174.8-64.6-42.3000112.2V367 P368 F370 E375 F376 A381 K382 K383V367-F379 HydrophobicContact CG1-CB 3.71Å; V367-F379 HydrophobicContact CG1-CD2 4.18Å; V367-F379 HydrophobicContact CG1-CG 4.41Å; P368-F379 HydrophobicContact CG-CB 4.35Å; P368-F379 HydrophobicContact CG-CD1 4.11Å; P368-F379 HydrophobicContact CG-CD2 3.74Å; P368-F379 HydrophobicContact CG-CE1 4.33Å; P368-F379 HydrophobicContact CG-CE2 3.94Å; P368-F379 HydrophobicContact CG-CG 3.83Å; P368-F379 HydrophobicContact CG-CZ 4.25Å; F370-F379 HydrophobicContact CB-CD2 4.39Å; F370-F379 HydrophobicContact CB-CE2 4.39Å; E375-F379 HydrophobicContact CG-CD2 3.93Å; E375-F379 HydrophobicContact CG-CE2 3.36Å; E375-F379 HydrophobicContact CG-CZ 3.86Å; E375-F379 WeakPolarHBondContact O-CD2 3.44Å; E375-F379 PolarHBondContact O-N 3.48Å; F376-F379 PolarHBondContact O-N 2.78Å; F379-A381 VanDerWaalsContact C-N 3.35Å; F379-A381 PolarHBondContact O-N 3.06Å; F379-K382 PolarHBondContact O-N 3.27Å; F379-K383 WeakPolarHBondContact O-CB 3.41Å; F379-K383 PolarHBondContact O-N 3.38Å
380F95.2Very high93.8Very high1 Ų172.2 Ų72.20%0.00437%0.366CS..Hα-helixtrans-61.5-42.8175.5-178.9-126.8000111.6Y365 V367 F376 K383 R384 A398 T401 F402Y365-F380 AromaticContact CD1-CD2 3.88Å; Y365-F380 HydrophobicContact CD1-CD2 3.88Å; Y365-F380 AromaticContact CD1-CE2 3.41Å; Y365-F380 HydrophobicContact CD1-CE2 3.41Å; Y365-F380 VanDerWaalsContact CD1-CE2 3.41Å; Y365-F380 HydrophobicContact CD1-CZ 4.02Å; Y365-F380 AromaticContact CE1-CE2 3.87Å; Y365-F380 HydrophobicContact CE1-CE2 3.87Å; Y365-F380 AromaticContact CE1-CZ 3.99Å; Y365-F380 HydrophobicContact CE1-CZ 3.99Å; Y365-F380 HydrophobicContact CG-CD2 4.49Å; Y365-F380 HydrophobicContact CG-CE2 4.41Å; V367-F380 HydrophobicContact CG2-CB 4.41Å; F376-F380 HydrophobicContact CZ-CB 4.46Å; F376-F380 VanDerWaalsContact O-CB 3.28Å; F376-F380 WeakPolarHBondContact O-CB 3.4Å; F376-F380 PolarHBondContact O-N 3.22Å; F380-K383 PolarHBondContact O-N 2.82Å; F380-R384 HydrophobicContact CD2-CG 3.96Å; F380-R384 HydrophobicContact CE2-CG 3.49Å; F380-R384 VanDerWaalsContact CE2-CG 3.49Å; F380-R384 HydrophobicContact CZ-CG 3.85Å; F380-R384 WeakPolarHBondContact O-CB 3.41Å; F380-R384 PolarHBondContact O-N 2.9Å; F380-A398 HydrophobicContact CD1-CB 3.94Å; F380-A398 WeakPolarHBondContact CE1-O 3.28Å; F380-T401 HydrophobicContact CZ-CG2 4.42Å; F380-F402 HydrophobicContact CD1-CB 4.33Å; F380-F402 HydrophobicContact CE1-CB 3.86Å
381A95.9Very high93.6Very high0 Ų073.8 Ų73.80%039%0.386CS..Hα-helixtrans-59.2-51.5173.200000112.1L377 F379 K383 R384 G385 F386 P393 A398L377-A381 WeakPolarHBondContact O-CB 3.33Å; L377-A381 PolarHBondContact O-N 3.08Å; F379-A381 VanDerWaalsContact C-N 3.35Å; F379-A381 PolarHBondContact O-N 3.06Å; A381-K383 VanDerWaalsContact C-N 3.3Å; A381-K383 PolarHBondContact O-N 3.33Å; A381-R384 PolarHBondContact O-N 3.41Å; A381-G385 PolarHBondContact O-N 2.82Å; A381-F386 HydrophobicContact CB-CB 4.12Å; A381-F386 PolarHBondContact O-N 2.93Å; A381-P393 HydrophobicContact CB-CB 3.71Å; A381-A398 HydrophobicContact CB-CB 3.81Å
382K94.6Very high93.8Very high123 Ų12367.5 Ų67.554%0.53537%0.372SS..Hα-helixtrans-54.5-46.5175.7-75.4171.4-177.7177.80111.2S378 F379 G385 P393S378-K382 VanDerWaalsContact O-CG 3.27Å; S378-K382 WeakPolarHBondContact O-CG 3.27Å; S378-K382 PolarHBondContact O-N 2.92Å; F379-K382 PolarHBondContact O-N 3.27Å; K382-G385 PolarHBondContact O-N 2.94Å; K382-P393 HydrophobicContact CD-CG 4.27Å; K382-P393 HydrophobicContact CG-CB 4.27Å; K382-P393 HydrophobicContact CG-CG 3.76Å
383K93.3Very high93.9Very high106 Ų10663.6 Ų63.646%0.46135%0.352SS..Hα-helixtrans-67.7-40-177.9-174.3172.1-175.5177.50113.8Y365 N366 F379 F380 A381 G385Y365-K383 WeakPolarHBondContact O-CD 3.46Å; Y365-K383 PolarHBondContact O-NZ 3.43Å; N366-K383 PolarHBondContact ND2-NZ 3.37Å; N366-K383 VanDerWaalsContact O-CD 3.31Å; N366-K383 WeakPolarHBondContact O-CD 3.32Å; N366-K383 PolarHBondContact O-NZ 3.12Å; F379-K383 WeakPolarHBondContact O-CB 3.41Å; F379-K383 PolarHBondContact O-N 3.38Å; F380-K383 PolarHBondContact O-N 2.82Å; A381-K383 VanDerWaalsContact C-N 3.3Å; A381-K383 PolarHBondContact O-N 3.33Å; K383-G385 VanDerWaalsContact C-N 3.25Å; K383-G385 PolarHBondContact O-N 2.8Å
384R92.4Very high94Very high111 Ų11164.2 Ų64.242%0.41935%0.354SS..Hα-helixtrans-80.3-2.5175.6-68.9-73.2-173.792.24113.1F380 A381 F386 D405F380-R384 HydrophobicContact CD2-CG 3.96Å; F380-R384 HydrophobicContact CE2-CG 3.49Å; F380-R384 VanDerWaalsContact CE2-CG 3.49Å; F380-R384 HydrophobicContact CZ-CG 3.85Å; F380-R384 WeakPolarHBondContact O-CB 3.41Å; F380-R384 PolarHBondContact O-N 2.9Å; A381-R384 PolarHBondContact O-N 3.41Å; R384-F386 VanDerWaalsContact C-N 3.31Å; R384-F386 HydrophobicContact CB-CD1 4.15Å; R384-F386 HydrophobicContact CB-CD2 3.69Å; R384-F386 HydrophobicContact CB-CE1 3.97Å; R384-F386 HydrophobicContact CB-CE2 3.49Å; R384-F386 VanDerWaalsContact CB-CE2 3.49Å; R384-F386 HydrophobicContact CB-CG 4.03Å; R384-F386 HydrophobicContact CB-CZ 3.64Å; R384-F386 HydrophobicContact CG-CD2 4.47Å; R384-F386 HydrophobicContact CG-CE2 3.93Å; R384-F386 HydrophobicContact CG-CZ 4.19Å; R384-D405 IonicContact CZ-OD2 2.69Å; R384-D405 IonicContact NH1-OD2 2.69Å; R384-D405 PolarHBondContact NH1-OD2 2.84Å; R384-D405 IonicContact NH2-OD2 3.59Å; R384-D405 PolarHBondContact NH2-OD2 2.69Å
385G93.2Very high94Very high51 Ų5161.3 Ų61.353%0.52634%0.341SS..THydrogen-bonded Turntrans7418.1-177.500000114.3A381 K382 K383 L387A381-G385 PolarHBondContact O-N 2.82Å; K382-G385 PolarHBondContact O-N 2.94Å; K383-G385 VanDerWaalsContact C-N 3.25Å; K383-G385 PolarHBondContact O-N 2.8Å; G385-L387 PolarHBondContact O-N 3.39Å
386F94.7Very high93.9Very high42 Ų4263.9 Ų63.918%0.18435%0.353CS..  trans-76.987.1177.4-57.9-28.7000109.8A381 R384 N394 L397 A398 T401A381-F386 HydrophobicContact CB-CB 4.12Å; A381-F386 PolarHBondContact O-N 2.93Å; R384-F386 VanDerWaalsContact C-N 3.31Å; R384-F386 HydrophobicContact CB-CD1 4.15Å; R384-F386 HydrophobicContact CB-CD2 3.69Å; R384-F386 HydrophobicContact CB-CE1 3.97Å; R384-F386 HydrophobicContact CB-CE2 3.49Å; R384-F386 VanDerWaalsContact CB-CE2 3.49Å; R384-F386 HydrophobicContact CB-CG 4.03Å; R384-F386 HydrophobicContact CB-CZ 3.64Å; R384-F386 HydrophobicContact CG-CD2 4.47Å; R384-F386 HydrophobicContact CG-CE2 3.93Å; R384-F386 HydrophobicContact CG-CZ 4.19Å; F386-N394 HydrophobicContact CB-CB 4.27Å; F386-N394 PolarHBondContact O-N 3.24Å; F386-L397 HydrophobicContact CB-CD2 4.2Å; F386-L397 HydrophobicContact CD1-CD2 3.86Å; F386-L397 HydrophobicContact CD1-CG 4.4Å; F386-L397 HydrophobicContact CD2-CG 4.43Å; F386-L397 HydrophobicContact CE1-CD2 4.39Å; F386-L397 HydrophobicContact CG-CD2 4Å; F386-L397 HydrophobicContact CG-CG 4.26Å; F386-A398 HydrophobicContact CD2-CB 4.02Å; F386-T401 HydrophobicContact CE2-CG2 3.97Å; F386-T401 HydrophobicContact CZ-CG2 3.97Å
387L94.6Very high93.6Very high95 Ų9567.6 Ų67.650%0.49737%0.372SS..BIsolated β-bridgetrans-115.9138179.7-55.8179.9000110.9G385 V392G385-L387 PolarHBondContact O-N 3.39Å; L387-V392 CarbonylContact C-O 3.6Å; L387-V392 WeakPolarHBondContact CA-O 3.29Å
388Q93.3Very high93.6Very high93 Ų9367.6 Ų67.644%0.43537%0.372SS..  trans-84.6180169.4-56.7-167.7-7.900110.9G390 G391 V392 N394Q388-G390 PolarHBondContact O-N 3.34Å; Q388-G391 PolarHBondContact O-N 3Å; Q388-G391 VanDerWaalsContact O-N 3.11Å; Q388-V392 PolarHBondContact N-O 2.98Å; Q388-N394 HydrophobicContact CG-CB 3.57Å; Q388-N394 PolarHBondContact NE2-OD1 2.91Å; Q388-N394 VanDerWaalsContact NE2-OD1 3.16Å
389K91.1Very high93.4Very high205 Ų20566 Ų6689%0.89136%0.361SS*.G310 helixtrans-56.9139.8171.6-65175.8-175.3168.30109.5G391K389-G391 VanDerWaalsContact C-N 3.3Å
390G90.6Very high93Very high86 Ų8665.6 Ų65.689%0.88736%0.364SS*.G310 helixtrans81.8-0.3-174.400000115Q388 V392Q388-G390 PolarHBondContact O-N 3.34Å; G390-V392 VanDerWaalsContact C-N 3.32Å
391G90.2Very high92.8Very high46 Ų4666.9 Ų66.947%0.47437%0.372SS..G310 helixtrans81.38.917800000114.5Q388 K389Q388-G391 PolarHBondContact O-N 3Å; Q388-G391 VanDerWaalsContact O-N 3.11Å; K389-G391 VanDerWaalsContact C-N 3.3Å
392V94.8Very high92.5Very high85 Ų8566.9 Ų66.952%0.51537%0.372SS..  trans-69135.5174.7-177.30000109.7L387 Q388 G390L387-V392 CarbonylContact C-O 3.6Å; L387-V392 WeakPolarHBondContact CA-O 3.29Å; Q388-V392 PolarHBondContact N-O 2.98Å; G390-V392 VanDerWaalsContact C-N 3.32Å
393P95.1Very high92.1Very high28 Ų2861.3 Ų61.318%0.18235%0.348CS..BIsolated β-bridgetrans-64136.2177.8-18.431.1000112.5A381 K382 T395A381-P393 HydrophobicContact CB-CB 3.71Å; K382-P393 HydrophobicContact CD-CG 4.27Å; K382-P393 HydrophobicContact CG-CB 4.27Å; K382-P393 HydrophobicContact CG-CG 3.76Å; P393-T395 PolarHBondContact O-N 3.46Å
394N95.2Very high91.8Very high32 Ų3260.6 Ų60.617%0.17135%0.35CS..  trans-87.190.6178.2-167-12.2000111F386 Q388 L397 A398F386-N394 HydrophobicContact CB-CB 4.27Å; F386-N394 PolarHBondContact O-N 3.24Å; Q388-N394 HydrophobicContact CG-CB 3.57Å; Q388-N394 PolarHBondContact NE2-OD1 2.91Å; Q388-N394 VanDerWaalsContact NE2-OD1 3.16Å; N394-L397 HydrophobicContact CB-CB 4.14Å; N394-L397 WeakPolarHBondContact ND2-CB 3.08Å; N394-L397 PolarHBondContact OD1-N 3.14Å; N394-A398 WeakPolarHBondContact O-CB 3.2Å; N394-A398 PolarHBondContact O-N 3.34Å; N394-A398 VanDerWaalsContact O-N 3.08Å
395T93.3Very high91.5Very high33 Ų3357 Ų5720%0.20234%0.339CS..Hα-helixtrans-65.7-35.5-178.349.50000113.5L377 P393 A398 A399L377-T395 HydrophobicContact CB-CG2 4.21Å; P393-T395 PolarHBondContact O-N 3.46Å; T395-A398 PolarHBondContact O-N 3.36Å; T395-A399 VanDerWaalsContact O-CB 3.31Å; T395-A399 WeakPolarHBondContact O-CB 3.19Å; T395-A399 PolarHBondContact O-N 3.03Å
396E91.4Very high91.2Very high118 Ų11854.6 Ų54.655%0.55131%0.314SS*.Hα-helixtrans-68.6-43.9179.1-64.8179.2168.500112.7A398 A399 S400E396-A398 VanDerWaalsContact C-N 3.32Å; E396-A399 PolarHBondContact O-N 3.48Å; E396-S400 WeakPolarHBondContact O-CB 3.43Å; E396-S400 PolarHBondContact O-N 3.39Å; E396-S400 PolarHBondContact O-OG 3.13Å
397L91.4Very high90.6Very high78 Ų7853.1 Ų53.141%0.40831%0.308SS..Hα-helixtrans-66.1-38.8175-178.863.2000110.7F386 N394 T401F386-L397 HydrophobicContact CB-CD2 4.2Å; F386-L397 HydrophobicContact CD1-CD2 3.86Å; F386-L397 HydrophobicContact CD1-CG 4.4Å; F386-L397 HydrophobicContact CD2-CG 4.43Å; F386-L397 HydrophobicContact CE1-CD2 4.39Å; F386-L397 HydrophobicContact CG-CD2 4Å; F386-L397 HydrophobicContact CG-CG 4.26Å; N394-L397 HydrophobicContact CB-CB 4.14Å; N394-L397 WeakPolarHBondContact ND2-CB 3.08Å; N394-L397 PolarHBondContact OD1-N 3.14Å; L397-T401 VanDerWaalsContact O-CB 3.29Å; L397-T401 WeakPolarHBondContact O-CB 3.43Å; L397-T401 PolarHBondContact O-N 2.94Å; L397-T401 PolarHBondContact O-OG1 2.69Å
398A93.4Very high89.9Confident0 Ų049.3 Ų49.30%029%0.292CS..Hα-helixtrans-63.2-43.2173.900000112L377 F380 A381 F386 N394 T395 E396 T401 F402L377-A398 HydrophobicContact CD2-CB 4.16Å; F380-A398 HydrophobicContact CD1-CB 3.94Å; F380-A398 WeakPolarHBondContact CE1-O 3.28Å; A381-A398 HydrophobicContact CB-CB 3.81Å; F386-A398 HydrophobicContact CD2-CB 4.02Å; N394-A398 WeakPolarHBondContact O-CB 3.2Å; N394-A398 PolarHBondContact O-N 3.34Å; N394-A398 VanDerWaalsContact O-N 3.08Å; T395-A398 PolarHBondContact O-N 3.36Å; E396-A398 VanDerWaalsContact C-N 3.32Å; A398-T401 PolarHBondContact O-N 3.1Å; A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.16Å; A398-F402 PolarHBondContact O-N 2.77Å
399A91.2Very high89.1Confident0 Ų047.5 Ų47.50%029%0.293CS..Hα-helixtrans-64.8-47.9177.900000111.8V345 L346 V349 L377 T395 E396 T401 F402 L403V345-A399 HydrophobicContact CB-CB 4.39Å; V345-A399 HydrophobicContact CG1-CB 3.76Å; L346-A399 HydrophobicContact CD2-CB 4Å; V349-A399 HydrophobicContact CG2-CB 3.81Å; L377-A399 HydrophobicContact CD1-CB 3.89Å; L377-A399 HydrophobicContact CD2-CB 3.82Å; T395-A399 VanDerWaalsContact O-CB 3.31Å; T395-A399 WeakPolarHBondContact O-CB 3.19Å; T395-A399 PolarHBondContact O-N 3.03Å; E396-A399 PolarHBondContact O-N 3.48Å; A399-T401 VanDerWaalsContact C-N 3.31Å; A399-T401 PolarHBondContact O-N 3.06Å; A399-F402 PolarHBondContact O-N 2.86Å; A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.07Å
400S88.6Confident88.5Confident44 Ų4446.4 Ų46.431%0.30829%0.288SS..Hα-helixtrans-59.1-42.6175.2-53.70000111.6E396 N404E396-S400 WeakPolarHBondContact O-CB 3.43Å; E396-S400 PolarHBondContact O-N 3.39Å; E396-S400 PolarHBondContact O-OG 3.13Å; S400-N404 WeakPolarHBondContact O-CB 3.37Å; S400-N404 PolarHBondContact O-N 3.27Å; S400-N404 PolarHBondContact O-ND2 2.81Å; S400-N404 VanDerWaalsContact O-ND2 3.14Å
401T89.7Confident88.4Confident28 Ų2842.5 Ų42.517%0.17225%0.247CC..Hα-helixtrans-65.8-40.2176.5-57.50000111.9F380 F386 L397 A398 A399 N404 D405F380-T401 HydrophobicContact CZ-CG2 4.42Å; F386-T401 HydrophobicContact CE2-CG2 3.97Å; F386-T401 HydrophobicContact CZ-CG2 3.97Å; L397-T401 VanDerWaalsContact O-CB 3.29Å; L397-T401 WeakPolarHBondContact O-CB 3.43Å; L397-T401 PolarHBondContact O-N 2.94Å; L397-T401 PolarHBondContact O-OG1 2.69Å; A398-T401 PolarHBondContact O-N 3.1Å; A399-T401 VanDerWaalsContact C-N 3.31Å; A399-T401 PolarHBondContact O-N 3.06Å; T401-N404 PolarHBondContact O-N 3.11Å; T401-D405 WeakPolarHBondContact O-CB 3.49Å; T401-D405 PolarHBondContact O-N 3.49Å
402F90.6Very high88.4Confident0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-65.9-44179.1173.4-98.9000112.1V349 L352 L353 Y365 F376 F380 A398 A399 N404 D405 W406V349-F402 HydrophobicContact CB-CD1 4.48Å; V349-F402 HydrophobicContact CG1-CD1 3.97Å; V349-F402 HydrophobicContact CG1-CE1 3.93Å; V349-F402 HydrophobicContact CG2-CD1 3.83Å; V349-F402 HydrophobicContact CG2-CE1 4.35Å; L352-F402 HydrophobicContact CD2-CE1 3.9Å; L352-F402 HydrophobicContact CD2-CZ 3.93Å; L353-F402 HydrophobicContact CD2-CZ 3.97Å; Y365-F402 HydrophobicContact CD2-CE2 4.29Å; Y365-F402 HydrophobicContact CE1-CD2 4.09Å; Y365-F402 AromaticContact CE2-CD2 3.96Å; Y365-F402 HydrophobicContact CE2-CD2 3.96Å; Y365-F402 AromaticContact CE2-CE2 3.58Å; Y365-F402 HydrophobicContact CE2-CE2 3.58Å; Y365-F402 AromaticContact CZ-CD2 3.63Å; Y365-F402 AromaticContact CZ-CE2 3.71Å; F376-F402 AromaticContact CE1-CD2 3.7Å; F376-F402 HydrophobicContact CE1-CD2 3.7Å; F376-F402 AromaticContact CE1-CE2 3.67Å; F376-F402 HydrophobicContact CE1-CE2 3.67Å; F376-F402 HydrophobicContact CE1-CG 4.15Å; F376-F402 HydrophobicContact CE1-CZ 4.09Å; F376-F402 AromaticContact CZ-CD2 3.75Å; F376-F402 HydrophobicContact CZ-CD2 3.75Å; F376-F402 AromaticContact CZ-CE2 3.57Å; F376-F402 HydrophobicContact CZ-CE2 3.57Å; F376-F402 HydrophobicContact CZ-CZ 4.31Å; F380-F402 HydrophobicContact CD1-CB 4.33Å; F380-F402 HydrophobicContact CE1-CB 3.86Å; A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.16Å; A398-F402 PolarHBondContact O-N 2.77Å; A399-F402 PolarHBondContact O-N 2.86Å; F402-N404 VanDerWaalsContact C-N 3.33Å; F402-N404 PolarHBondContact O-N 2.8Å; F402-D405 PolarHBondContact O-N 3.16Å; F402-W406 HydrophobicContact CZ-CE3 4.24Å; F402-W406 WeakPolarHBondContact O-CB 3.47Å; F402-W406 PolarHBondContact O-N 3.34Å
403L87.1Confident88.3Confident6 Ų637.1 Ų37.13%0.03121%0.205CC..Hα-helixtrans-66.3-33.8174.4-64.1178000112.5V338 V345 A348 V349 L352 A399 W406 T407V338-L403 HydrophobicContact CG2-CD1 4.1Å; V345-L403 HydrophobicContact CG1-CD1 3.66Å; A348-L403 HydrophobicContact CB-CD1 4.09Å; V349-L403 HydrophobicContact CG2-CD1 4.26Å; V349-L403 HydrophobicContact CG2-CD2 3.97Å; V349-L403 HydrophobicContact CG2-CG 3.91Å; L352-L403 HydrophobicContact CD1-CD2 4.04Å; A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.07Å; L403-W406 WeakPolarHBondContact O-CB 3.2Å; L403-W406 PolarHBondContact O-N 3.03Å; L403-T407 PolarHBondContact O-N 3.36Å; L403-T407 PolarHBondContact O-OG1 2.92Å; L403-T407 VanDerWaalsContact O-OG1 3.06Å
404N85.5Confident88.2Confident91 Ų9136 Ų3649%0.48720%0.197SC..Hα-helixtrans-68.5-42172-72.9-25.5000112.2S400 T401 F402 W406 T407 G408S400-N404 WeakPolarHBondContact O-CB 3.37Å; S400-N404 PolarHBondContact O-N 3.27Å; S400-N404 PolarHBondContact O-ND2 2.81Å; S400-N404 VanDerWaalsContact O-ND2 3.14Å; T401-N404 PolarHBondContact O-N 3.11Å; F402-N404 VanDerWaalsContact C-N 3.33Å; F402-N404 PolarHBondContact O-N 2.8Å; N404-W406 PolarHBondContact O-N 2.83Å; N404-T407 PolarHBondContact O-OG1 3.36Å; N404-G408 WeakPolarHBondContact O-CA 3.46Å; N404-G408 PolarHBondContact O-N 3.01Å
405D87.4Confident88.1Confident35 Ų3534.5 Ų34.519%0.18719%0.189CC..Hα-helixtrans-60.7-36.4171.9-81.3-12.2000110.5R384 T401 F402 L411R384-D405 IonicContact CZ-OD2 2.69Å; R384-D405 IonicContact NH1-OD2 2.69Å; R384-D405 PolarHBondContact NH1-OD2 2.84Å; R384-D405 IonicContact NH2-OD2 3.59Å; R384-D405 PolarHBondContact NH2-OD2 2.69Å; T401-D405 WeakPolarHBondContact O-CB 3.49Å; T401-D405 PolarHBondContact O-N 3.49Å; F402-D405 PolarHBondContact O-N 3.16Å; D405-L411 VanDerWaalsContact O-CB 3.27Å; D405-L411 WeakPolarHBondContact O-CB 2.98Å
406W86.7Confident87.9Confident1 Ų140.2 Ų40.20%0.00421%0.211CC..Hα-helixtrans-67.8-51.5177.8-165-87.2000113.5R156 L333 L352 C356 F402 L403 N404 G408 L411 Y413 I464 L466R156-W406 PolarHBondContact NH1-O 3.37Å; L333-W406 HydrophobicContact CD2-CZ2 3.74Å; L333-W406 VanDerWaalsContact O-CD1 3.29Å; L352-W406 HydrophobicContact CD1-CD2 3.71Å; L352-W406 HydrophobicContact CD1-CE3 4.23Å; L352-W406 HydrophobicContact CD1-CG 3.85Å; L352-W406 HydrophobicContact CD1-CZ2 4.48Å; L352-W406 HydrophobicContact CD2-CD2 3.93Å; L352-W406 HydrophobicContact CD2-CE3 3.63Å; L352-W406 HydrophobicContact CD2-CH2 3.85Å; L352-W406 HydrophobicContact CD2-CZ2 4.04Å; L352-W406 HydrophobicContact CD2-CZ3 3.62Å; L352-W406 HydrophobicContact CG-CD2 4.34Å; L352-W406 HydrophobicContact CG-CZ2 4.4Å; C356-W406 WeakPolarHBondContact SG-CH2 3.43Å; F402-W406 HydrophobicContact CZ-CE3 4.24Å; F402-W406 WeakPolarHBondContact O-CB 3.47Å; F402-W406 PolarHBondContact O-N 3.34Å; L403-W406 WeakPolarHBondContact O-CB 3.2Å; L403-W406 PolarHBondContact O-N 3.03Å; N404-W406 PolarHBondContact O-N 2.83Å; W406-G408 VanDerWaalsContact C-N 3.29Å; W406-G408 PolarHBondContact O-N 3.34Å; W406-L411 HydrophobicContact CB-CD2 4.24Å; W406-L411 HydrophobicContact CD2-CD2 3.73Å; W406-L411 HydrophobicContact CE3-CD2 3.11Å; W406-L411 HydrophobicContact CG-CD2 4.26Å; W406-L411 HydrophobicContact CH2-CD2 4.47Å; W406-L411 HydrophobicContact CZ3-CD2 3.54Å; W406-Y413 AromaticContact CD1-CE1 3.71Å; W406-Y413 AromaticContact CD1-CZ 3.94Å; W406-Y413 HydrophobicContact CD2-CD1 4.03Å; W406-Y413 AromaticContact CD2-CE1 3.87Å; W406-Y413 HydrophobicContact CD2-CE1 3.87Å; W406-Y413 AromaticContact CE2-CD1 3.57Å; W406-Y413 AromaticContact CE2-CE1 3.33Å; W406-Y413 AromaticContact CE2-CZ 3.61Å; W406-Y413 HydrophobicContact CE3-CD1 4.43Å; W406-Y413 HydrophobicContact CG-CE1 4.04Å; W406-Y413 AromaticContact CH2-CD1 3.9Å; W406-Y413 HydrophobicContact CH2-CD1 3.9Å; W406-Y413 HydrophobicContact CH2-CD2 4.26Å; W406-Y413 HydrophobicContact CH2-CE1 4.49Å; W406-Y413 AromaticContact CH2-CG 3.77Å; W406-Y413 HydrophobicContact CH2-CG 3.77Å; W406-Y413 AromaticContact CZ2-CD1 3.51Å; W406-Y413 HydrophobicContact CZ2-CD1 3.51Å; W406-Y413 AromaticContact CZ2-CD2 3.6Å; W406-Y413 HydrophobicContact CZ2-CD2 3.6Å; W406-Y413 AromaticContact CZ2-CE1 3.7Å; W406-Y413 HydrophobicContact CZ2-CE1 3.7Å; W406-Y413 AromaticContact CZ2-CE2 3.81Å; W406-Y413 HydrophobicContact CZ2-CE2 3.81Å; W406-Y413 AromaticContact CZ2-CG 3.46Å; W406-Y413 HydrophobicContact CZ2-CG 3.46Å; W406-Y413 VanDerWaalsContact CZ2-CG 3.46Å; W406-Y413 AromaticContact CZ2-CZ 3.87Å; W406-Y413 HydrophobicContact CZ3-CD1 4.36Å; W406-Y413 AromaticContact NE1-CE1 3.26Å; W406-Y413 VanDerWaalsContact NE1-CE1 3.26Å; W406-Y413 AromaticContact NE1-CE2 3.9Å; W406-Y413 AromaticContact NE1-CZ 3.22Å; W406-Y413 PolarHBondContact NE1-OH 3.33Å; W406-I464 HydrophobicContact CH2-CG2 4.4Å; W406-I464 HydrophobicContact CZ3-CD1 4.16Å; W406-L466 HydrophobicContact CZ2-CD1 4.33Å; W406-L466 HydrophobicContact CZ2-CD2 4.42Å
407T82.3Confident87.8Confident11 Ų1135.4 Ų35.47%0.06719%0.192CC..Hα-helixtrans-72.1-22177.354.40000113.8V295 S335 L403 N404V295-T407 WeakPolarHBondContact CG1-OG1 3.38Å; S335-T407 WeakPolarHBondContact OG-CG2 3.38Å; L403-T407 PolarHBondContact O-N 3.36Å; L403-T407 PolarHBondContact O-OG1 2.92Å; L403-T407 VanDerWaalsContact O-OG1 3.06Å; N404-T407 PolarHBondContact O-OG1 3.36Å
408G79.8Confident87.5Confident15 Ų1534.2 Ų34.216%0.15519%0.189CC..THydrogen-bonded Turntrans-75.7175.8-176.700000115.7R156 N404 W406 K410R156-G408 PolarHBondContact NH1-O 3.21Å; N404-G408 WeakPolarHBondContact O-CA 3.46Å; N404-G408 PolarHBondContact O-N 3.01Å; W406-G408 VanDerWaalsContact C-N 3.29Å; W406-G408 PolarHBondContact O-N 3.34Å; G408-K410 VanDerWaalsContact C-N 3.27Å; G408-K410 PolarHBondContact O-N 2.92Å
409A75.4Confident86.9Confident56 Ų5643.6 Ų43.646%0.46323%0.233SC..THydrogen-bonded Turntrans-86.828.3-174.400000114.6T214T214-A409 HydrophobicContact CG2-CB 3.99Å
410K79.1Confident86.4Confident181 Ų18152.6 Ų52.679%0.78727%0.272SS*.SBendtrans-123.2-33.9-176.3-69.2-174.4-179.1178.70114.1G408G408-K410 VanDerWaalsContact C-N 3.27Å; G408-K410 PolarHBondContact O-N 2.92Å
411L88Confident85.8Confident4 Ų453.4 Ų53.42%0.02128%0.276CS..  trans-84.7121.9-176-170.366.6000110.7Q364 Y365 D405 W406 Y413 I464Q364-L411 HydrophobicContact CG-CD1 3.59Å; Y365-L411 HydrophobicContact CE2-CD1 4.24Å; D405-L411 VanDerWaalsContact O-CB 3.27Å; D405-L411 WeakPolarHBondContact O-CB 2.98Å; W406-L411 HydrophobicContact CB-CD2 4.24Å; W406-L411 HydrophobicContact CD2-CD2 3.73Å; W406-L411 HydrophobicContact CE3-CD2 3.11Å; W406-L411 HydrophobicContact CG-CD2 4.26Å; W406-L411 HydrophobicContact CH2-CD2 4.47Å; W406-L411 HydrophobicContact CZ3-CD2 3.54Å; L411-Y413 HydrophobicContact CD2-CD1 4.14Å; L411-Y413 HydrophobicContact CG-CD1 4.31Å; L411-I464 HydrophobicContact CD1-CD1 4.02Å; L411-I464 HydrophobicContact CD2-CD1 4.45Å; L411-I464 HydrophobicContact CG-CD1 4.5Å
412S90.5Very high85.4Confident11 Ų1156.9 Ų56.98%0.07730%0.302CS..  trans-86.1118.5167.8-174.90000109.8L188 P458 S463 I464L188-S412 VanDerWaalsContact O-CA 3.3Å; L188-S412 WeakPolarHBondContact O-CA 3.42Å; L188-S412 VanDerWaalsContact O-CB 3.3Å; L188-S412 WeakPolarHBondContact O-CB 3.38Å; L188-S412 PolarHBondContact O-OG 3.02Å; S412-P458 VanDerWaalsContact OG-CG 3.26Å; S412-P458 WeakPolarHBondContact OG-CG 3.36Å; S412-S463 VanDerWaalsContact OG-CB 3.23Å; S412-S463 WeakPolarHBondContact OG-CB 2.91Å; S412-S463 PolarHBondContact OG-OG 2.91Å; S412-I464 PolarHBondContact O-N 3.32Å
413Y92.6Very high85.1Confident7 Ų760.2 Ų60.23%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-143.7158.5165.269.4-96.6000108.3R156 W406 L411 I464 L466R156-Y413 HydrophobicContact CB-CD2 3.77Å; R156-Y413 HydrophobicContact CB-CE1 4.4Å; R156-Y413 HydrophobicContact CB-CE2 3.41Å; R156-Y413 VanDerWaalsContact CB-CE2 3.41Å; R156-Y413 HydrophobicContact CB-CG 4.37Å; R156-Y413 VanDerWaalsContact CB-O 3.29Å; R156-Y413 WeakPolarHBondContact CB-O 3.32Å; R156-Y413 HydrophobicContact CG-CE2 4.42Å; R156-Y413 VanDerWaalsContact CG-O 3.24Å; R156-Y413 WeakPolarHBondContact CG-O 3.47Å; W406-Y413 AromaticContact CD1-CE1 3.71Å; W406-Y413 AromaticContact CD1-CZ 3.94Å; W406-Y413 HydrophobicContact CD2-CD1 4.03Å; W406-Y413 AromaticContact CD2-CE1 3.87Å; W406-Y413 HydrophobicContact CD2-CE1 3.87Å; W406-Y413 AromaticContact CE2-CD1 3.57Å; W406-Y413 AromaticContact CE2-CE1 3.33Å; W406-Y413 AromaticContact CE2-CZ 3.61Å; W406-Y413 HydrophobicContact CE3-CD1 4.43Å; W406-Y413 HydrophobicContact CG-CE1 4.04Å; W406-Y413 AromaticContact CH2-CD1 3.9Å; W406-Y413 HydrophobicContact CH2-CD1 3.9Å; W406-Y413 HydrophobicContact CH2-CD2 4.26Å; W406-Y413 HydrophobicContact CH2-CE1 4.49Å; W406-Y413 AromaticContact CH2-CG 3.77Å; W406-Y413 HydrophobicContact CH2-CG 3.77Å; W406-Y413 AromaticContact CZ2-CD1 3.51Å; W406-Y413 HydrophobicContact CZ2-CD1 3.51Å; W406-Y413 AromaticContact CZ2-CD2 3.6Å; W406-Y413 HydrophobicContact CZ2-CD2 3.6Å; W406-Y413 AromaticContact CZ2-CE1 3.7Å; W406-Y413 HydrophobicContact CZ2-CE1 3.7Å; W406-Y413 AromaticContact CZ2-CE2 3.81Å; W406-Y413 HydrophobicContact CZ2-CE2 3.81Å; W406-Y413 AromaticContact CZ2-CG 3.46Å; W406-Y413 HydrophobicContact CZ2-CG 3.46Å; W406-Y413 VanDerWaalsContact CZ2-CG 3.46Å; W406-Y413 AromaticContact CZ2-CZ 3.87Å; W406-Y413 HydrophobicContact CZ3-CD1 4.36Å; W406-Y413 AromaticContact NE1-CE1 3.26Å; W406-Y413 VanDerWaalsContact NE1-CE1 3.26Å; W406-Y413 AromaticContact NE1-CE2 3.9Å; W406-Y413 AromaticContact NE1-CZ 3.22Å; W406-Y413 PolarHBondContact NE1-OH 3.33Å; L411-Y413 HydrophobicContact CD2-CD1 4.14Å; L411-Y413 HydrophobicContact CG-CD1 4.31Å; Y413-I464 CarbonylContact C-O 3.55Å; Y413-I464 WeakPolarHBondContact CA-O 3.45Å; Y413-I464 VanDerWaalsContact CB-O 3.26Å; Y413-I464 WeakPolarHBondContact CB-O 3.46Å; Y413-L466 HydrophobicContact CD2-CB 4.31Å; Y413-L466 HydrophobicContact CD2-CD2 3.85Å; Y413-L466 HydrophobicContact CE2-CD2 3.77Å
414H93.1Very high85Confident5 Ų561 Ų612%0.02332%0.324CS..EExtended strand (participates in β ladder)trans-152.5143.3178.365.6-78.1000111.6R156 V189 S463 I464 V465 L466R156-H414 CarbonylContact O-C 3.52Å; R156-H414 WeakPolarHBondContact O-CA 3.27Å; V189-H414 HydrophobicContact CG1-CB 3.89Å; V189-H414 HydrophobicContact CG2-CB 4.4Å; H414-S463 WeakPolarHBondContact ND1-CB 3.38Å; H414-S463 PolarHBondContact ND1-OG 2.87Å; H414-I464 PolarHBondContact N-O 2.99Å; H414-V465 WeakPolarHBondContact O-CA 3.35Å; H414-L466 PolarHBondContact O-N 3.4Å
415C92.1Very high85Confident1 Ų163.2 Ų63.21%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-84.9147.1159.564.10000111R156 P158 N193 W197 L466R156-C415 PolarHBondContact O-N 3.45Å; P158-C415 VanDerWaalsContact CD-SG 3.51Å; N193-C415 PolarHBondContact ND2-O 3.5Å; N193-C415 PolarHBondContact OD1-O 2.75Å; W197-C415 WeakPolarHBondContact CZ2-SG 3.47Å; W197-C415 PolarHBondContact NE1-O 3.44Å; C415-L466 VanDerWaalsContact CA-O 3.32Å; C415-L466 WeakPolarHBondContact CA-O 3.3Å
416K89.8Confident84.9Confident153 Ų15363.3 Ų63.367%0.66534%0.342SS*.PPolyproline II helixtrans-67.7136.7171.4-63.3-175.6176.3-173.30110W197 V465W197-K416 VanDerWaalsContact CZ2-O 3.31Å; W197-K416 WeakPolarHBondContact CZ2-O 3.24Å; K416-V465 HydrophobicContact CG-CG1 4.47Å
417A88.8Confident85Confident17 Ų1763.9 Ų63.914%0.1435%0.345CS..PPolyproline II helixtrans-63147.8166.800000111K196 W197K196-A417 HydrophobicContact CB-CB 3.75Å; W197-A417 HydrophobicContact CD2-CB 4Å; W197-A417 HydrophobicContact CE3-CB 4.42Å; W197-A417 HydrophobicContact CG-CB 4.3Å; W197-A417 VanDerWaalsContact CZ2-CA 3.45Å; W197-A417 HydrophobicContact CZ2-CB 4.22Å
418P85.8Confident85.4Confident53 Ų5365.7 Ų65.734%0.34436%0.358SS..PPolyproline II helixtrans-65.3134.2173.728.3-34.3000110.2W197 K420W197-P418 VanDerWaalsContact CH2-CD 3.49Å; P418-K420 PolarHBondContact O-N 3.47Å
419E80.9Confident85.8Confident197 Ų19770.7 Ų70.792%0.92138%0.377SS*.SBendtrans-68.3-25.9179.4-64.3177.9178.400112.6
420K79.7Confident86.5Confident188 Ų18873.7 Ų73.782%0.81739%0.385SS*.SBendtrans-125.898172.7-63.2-176.6-176.9-178.90107.9P418 S422P418-K420 PolarHBondContact O-N 3.47Å; K420-S422 PolarHBondContact O-N 2.9Å
421P77.8Confident87Confident61 Ų6167.6 Ų67.640%0.39636%0.361SS..  trans-65.2132.1170.826.9-32.2000109.1C200 L203C200-P421 HydrophobicContact CB-CB 4.31Å; L203-P421 HydrophobicContact CD1-CB 3.8Å; L203-P421 HydrophobicContact CD1-CG 3.35Å
422S80.9Confident87.1Confident102 Ų10267.9 Ų67.971%0.71336%0.363SS*.  trans-119.7141.6171.459.60000108.9K420K420-S422 PolarHBondContact O-N 2.9Å
423L83.6Confident87.1Confident69 Ų6975 Ų7536%0.36139%0.388SS..  trans-63.8137.8176.9-64.8177.5000110.2E204 E429 V432E204-L423 HydrophobicContact CG-CD2 3.9Å; L423-E429 HydrophobicContact CD1-CG 4.26Å; L423-V432 HydrophobicContact CD2-CG2 4.45Å
424P85.1Confident87Confident22 Ų2279.1 Ų79.114%0.14341%0.408CS..  trans-55.5150.5167.9-23.531.1000112.2E204 Y426 L427E204-P424 WeakPolarHBondContact OE2-CD 3.45Å; E204-P424 WeakPolarHBondContact OE2-CG 3.24Å; P424-Y426 HydrophobicContact CB-CD1 3.81Å; P424-Y426 HydrophobicContact CB-CE1 3.28Å; P424-Y426 HydrophobicContact CB-CE2 4.41Å; P424-Y426 HydrophobicContact CG-CE1 4.2Å; P424-Y426 PolarHBondContact O-N 3.33Å; P424-L427 HydrophobicContact CB-CG 4.4Å; P424-L427 HydrophobicContact CG-CD1 4.07Å; P424-L427 HydrophobicContact CG-CG 4.42Å; P424-L427 PolarHBondContact O-N 2.83Å
425P85.8Confident86.7Confident138 Ų13879.3 Ų79.390%0.89641%0.409SS*.THydrogen-bonded Turntrans-66.1-13.4-172.227.3-36.4000115
426Y85.8Confident86.6Confident37 Ų3781.5 Ų81.515%0.14542%0.419CS..THydrogen-bonded Turntrans-95.2-2.3175.560.6-89.5000113.5R162 P164 E167 E168 L171 P424R162-Y426 PolarHBondContact NH2-OH 2.67Å; P164-Y426 HydrophobicContact CB-CE1 3.74Å; E167-Y426 HydrophobicContact CB-CE2 3.78Å; E167-Y426 PolarHBondContact OE1-OH 2.75Å; E167-Y426 PolarHBondContact OE2-OH 3.02Å; E168-Y426 HydrophobicContact CG-CD1 4Å; E168-Y426 HydrophobicContact CG-CD2 3.7Å; E168-Y426 HydrophobicContact CG-CE2 4.36Å; E168-Y426 HydrophobicContact CG-CG 3.49Å; E168-Y426 VanDerWaalsContact CG-CG 3.49Å; L171-Y426 HydrophobicContact CD1-CD2 3.95Å; L171-Y426 HydrophobicContact CD1-CE2 4.24Å; P424-Y426 HydrophobicContact CB-CD1 3.81Å; P424-Y426 HydrophobicContact CB-CE1 3.28Å; P424-Y426 HydrophobicContact CB-CE2 4.41Å; P424-Y426 HydrophobicContact CG-CE1 4.2Å; P424-Y426 PolarHBondContact O-N 3.33Å
427L88.5Confident86.5Confident13 Ų1381.8 Ų81.87%0.06842%0.42CS..  trans-106.9117.2176.8-60.3-172.7000110.6L171 E204 F205 P424 I431 V432L171-L427 HydrophobicContact CD1-CD2 3.54Å; E204-L427 HydrophobicContact CB-CD1 4Å; E204-L427 HydrophobicContact CG-CD1 4.19Å; F205-L427 HydrophobicContact CD2-CD1 4.42Å; F205-L427 HydrophobicContact CE2-CD1 3.57Å; F205-L427 HydrophobicContact CE2-CD2 4.12Å; F205-L427 HydrophobicContact CZ-CD1 3.97Å; F205-L427 HydrophobicContact CZ-CD2 3.7Å; P424-L427 HydrophobicContact CB-CG 4.4Å; P424-L427 HydrophobicContact CG-CD1 4.07Å; P424-L427 HydrophobicContact CG-CG 4.42Å; P424-L427 PolarHBondContact O-N 2.83Å; L427-I431 HydrophobicContact CD2-CG2 4.18Å; L427-V432 HydrophobicContact CB-CG2 4.43Å
428S89.6Confident86.3Confident50 Ų5083.6 Ų83.635%0.3544%0.441SS..  trans-91.6159.3163.266.90000110.7D430 I431 V432S428-D430 PolarHBondContact O-N 3.21Å; S428-I431 PolarHBondContact O-N 3Å; S428-I431 WeakPolarHBondContact OG-CG1 3.47Å; S428-I431 PolarHBondContact OG-N 3.17Å; S428-V432 WeakPolarHBondContact O-CG2 3.36Å; S428-V432 PolarHBondContact O-N 3.1Å; S428-V432 VanDerWaalsContact O-N 3.1Å
429E88.9Confident86.5Confident120 Ų12082 Ų8256%0.56143%0.428SS*.Hα-helixtrans-58-32.7175-68.1-169.5-164.300112.7L423 V432 R433L423-E429 HydrophobicContact CD1-CG 4.26Å; E429-V432 PolarHBondContact O-N 3.24Å; E429-R433 WeakPolarHBondContact O-CB 3.27Å; E429-R433 VanDerWaalsContact O-CG 3.22Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.27Å; E429-R433 IonicContact OE2-NH2 2.71Å; E429-R433 PolarHBondContact OE2-NH2 3.33Å
430D89.6Confident87Confident118 Ų11875.5 Ų75.563%0.63140%0.399SS*.Hα-helixtrans-67.9-42178.4-61-48000112.1S428 V432 R433 E434S428-D430 PolarHBondContact O-N 3.21Å; D430-V432 VanDerWaalsContact C-N 3.33Å; D430-V432 PolarHBondContact O-N 3.46Å; D430-R433 PolarHBondContact O-N 3.32Å; D430-E434 WeakPolarHBondContact O-CB 3.48Å; D430-E434 PolarHBondContact O-N 2.82Å
431I89.6Confident87.5Confident53 Ų5369.6 Ų69.627%0.27238%0.377SS..Hα-helixtrans-61.4-44.4174-70.5168.2000110.1L171 L427 S428 E434 M435L171-I431 HydrophobicContact CD1-CG2 4.39Å; L171-I431 HydrophobicContact CD2-CG2 3.47Å; L171-I431 VanDerWaalsContact CD2-CG2 3.47Å; L427-I431 HydrophobicContact CD2-CG2 4.18Å; S428-I431 PolarHBondContact O-N 3Å; S428-I431 WeakPolarHBondContact OG-CG1 3.47Å; S428-I431 PolarHBondContact OG-N 3.17Å; I431-E434 PolarHBondContact O-N 3.06Å; I431-M435 WeakPolarHBondContact O-CB 3.41Å; I431-M435 WeakPolarHBondContact O-CG 3.39Å; I431-M435 PolarHBondContact O-N 3.48Å
432V90.4Very high88.2Confident11 Ų1171.2 Ų71.27%0.06738%0.382CS..Hα-helixtrans-60.1-47.6176.3169.20000110.9L203 L423 L427 S428 E429 D430 E434 M435 Q436L203-V432 WeakPolarHBondContact O-CG1 3.31Å; L423-V432 HydrophobicContact CD2-CG2 4.45Å; L427-V432 HydrophobicContact CB-CG2 4.43Å; S428-V432 WeakPolarHBondContact O-CG2 3.36Å; S428-V432 PolarHBondContact O-N 3.1Å; S428-V432 VanDerWaalsContact O-N 3.1Å; E429-V432 PolarHBondContact O-N 3.24Å; D430-V432 VanDerWaalsContact C-N 3.33Å; D430-V432 PolarHBondContact O-N 3.46Å; V432-E434 VanDerWaalsContact C-N 3.35Å; V432-E434 PolarHBondContact O-N 3.23Å; V432-M435 PolarHBondContact O-N 3.41Å; V432-Q436 HydrophobicContact CG1-CG 4.43Å; V432-Q436 WeakPolarHBondContact O-CB 3.31Å; V432-Q436 VanDerWaalsContact O-CG 3.32Å; V432-Q436 WeakPolarHBondContact O-CG 3.29Å; V432-Q436 PolarHBondContact O-N 3.3Å
433R90.4Very high88.7Confident160 Ų16070.6 Ų70.660%0.60437%0.366SS*.Hα-helixtrans-60.7-42.2176.7-72.6168.4-170.1-139.37.8111.9E429 D430 M435 Q436 K437E429-R433 WeakPolarHBondContact O-CB 3.27Å; E429-R433 VanDerWaalsContact O-CG 3.22Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.27Å; E429-R433 IonicContact OE2-NH2 2.71Å; E429-R433 PolarHBondContact OE2-NH2 3.33Å; D430-R433 PolarHBondContact O-N 3.32Å; R433-M435 VanDerWaalsContact C-N 3.34Å; R433-Q436 PolarHBondContact O-N 3.38Å; R433-K437 WeakPolarHBondContact O-CB 3.3Å; R433-K437 PolarHBondContact O-N 3.25Å
434E89.9Confident89.2Confident93 Ų9367.5 Ų67.544%0.43535%0.35SS..Hα-helixtrans-66.4-37.2177.4-157.1-135.9118.700111.9K178 D430 I431 V432 K437K178-E434 PolarHBondContact NZ-O 2.92Å; K178-E434 IonicContact NZ-OE1 3.8Å; K178-E434 PolarHBondContact NZ-OE1 3.46Å; D430-E434 WeakPolarHBondContact O-CB 3.48Å; D430-E434 PolarHBondContact O-N 2.82Å; I431-E434 PolarHBondContact O-N 3.06Å; V432-E434 VanDerWaalsContact C-N 3.35Å; V432-E434 PolarHBondContact O-N 3.23Å; E434-K437 WeakPolarHBondContact O-CB 3.36Å; E434-K437 PolarHBondContact O-N 3.02Å
435M88Confident89.5Confident9 Ų972.7 Ų72.74%0.04437%0.367CS..Hα-helixtrans-73.8-31.9178.2-81.5-76.5-161.700113.7L171 K177 K178 L179 F205 I431 V432 R433 W439L171-M435 HydrophobicContact CD2-CE 3.44Å; L171-M435 VanDerWaalsContact CD2-CE 3.44Å; L171-M435 HydrophobicContact CD2-CG 4.44Å; L171-M435 HydrophobicContact CG-CE 4.32Å; K177-M435 VanDerWaalsContact O-CE 3.25Å; K177-M435 WeakPolarHBondContact O-CE 3.3Å; K178-M435 HydrophobicContact CB-SD 4.47Å; K178-M435 HydrophobicContact CD-SD 3.81Å; L179-M435 HydrophobicContact CB-CE 4.04Å; L179-M435 HydrophobicContact CB-SD 4.25Å; L179-M435 PolarHBondContact N-SD 2.88Å; L179-M435 VanDerWaalsContact N-SD 3.41Å; F205-M435 HydrophobicContact CD1-CB 3.95Å; F205-M435 HydrophobicContact CD1-CG 4.17Å; F205-M435 HydrophobicContact CD1-SD 4.45Å; F205-M435 HydrophobicContact CE1-CB 4.01Å; F205-M435 HydrophobicContact CE1-CE 4.28Å; F205-M435 HydrophobicContact CE1-CG 3.77Å; F205-M435 HydrophobicContact CE1-SD 4.19Å; I431-M435 WeakPolarHBondContact O-CB 3.41Å; I431-M435 WeakPolarHBondContact O-CG 3.39Å; I431-M435 PolarHBondContact O-N 3.48Å; V432-M435 PolarHBondContact O-N 3.41Å; R433-M435 VanDerWaalsContact C-N 3.34Å; M435-W439 PolarHBondContact O-NE1 3.43Å
436Q89.8Confident89.9Confident48 Ų4873.2 Ų73.222%0.22436%0.355CS..Hα-helixtrans-77-23.1172.2-69.5178.2600112.8Q202 V432 R433 G438 W439 L441Q202-Q436 PolarHBondContact O-NE2 3.48Å; V432-Q436 HydrophobicContact CG1-CG 4.43Å; V432-Q436 WeakPolarHBondContact O-CB 3.31Å; V432-Q436 VanDerWaalsContact O-CG 3.32Å; V432-Q436 WeakPolarHBondContact O-CG 3.29Å; V432-Q436 PolarHBondContact O-N 3.3Å; R433-Q436 PolarHBondContact O-N 3.38Å; Q436-G438 PolarHBondContact O-N 3.39Å; Q436-W439 PolarHBondContact O-N 3.02Å; Q436-L441 HydrophobicContact CB-CD1 4.46Å
437K88.1Confident90.3Very high158 Ų15871.9 Ų71.969%0.68735%0.353SS*.THydrogen-bonded Turntrans-60125.8177.8-170.7-177.9-179.3-179.30111.5R433 E434R433-K437 WeakPolarHBondContact O-CB 3.3Å; R433-K437 PolarHBondContact O-N 3.25Å; E434-K437 WeakPolarHBondContact O-CB 3.36Å; E434-K437 PolarHBondContact O-N 3.02Å
438G84.8Confident90.6Very high56 Ų5671.5 Ų71.558%0.57735%0.351SS*.THydrogen-bonded Turntrans96.5-4-17900000114.5Q436Q436-G438 PolarHBondContact O-N 3.39Å
439W89.6Confident90.8Very high19 Ų1972.9 Ų72.97%0.07235%0.351CS..  trans-103.1137.5174.3-58.1107.8000112.2I148 K178 P206 L252 L253 Y256 M435 Q436 L441I148-W439 HydrophobicContact CD1-CH2 3.67Å; I148-W439 HydrophobicContact CD1-CZ2 4.1Å; I148-W439 HydrophobicContact CG2-CH2 4.43Å; I148-W439 HydrophobicContact CG2-CZ2 4.37Å; K178-W439 HydrophobicContact CB-CZ2 4.14Å; P206-W439 HydrophobicContact CG-CB 4.31Å; P206-W439 VanDerWaalsContact CG-CD1 3.5Å; P206-W439 HydrophobicContact CG-CG 3.88Å; L252-W439 HydrophobicContact CD1-CE3 3.68Å; L252-W439 HydrophobicContact CD1-CZ3 4.24Å; L252-W439 HydrophobicContact CD2-CE3 4.1Å; L252-W439 HydrophobicContact CD2-CZ3 4.11Å; L252-W439 HydrophobicContact CG-CE3 3.61Å; L252-W439 HydrophobicContact CG-CZ3 3.65Å; L253-W439 HydrophobicContact CD2-CH2 4.24Å; Y256-W439 HydrophobicContact CD2-CD2 4.23Å; Y256-W439 HydrophobicContact CD2-CE3 4.04Å; Y256-W439 HydrophobicContact CD2-CH2 4Å; Y256-W439 HydrophobicContact CD2-CZ2 4.14Å; Y256-W439 AromaticContact CD2-CZ3 3.91Å; Y256-W439 HydrophobicContact CD2-CZ3 3.91Å; Y256-W439 HydrophobicContact CE2-CZ2 4.37Å; Y256-W439 HydrophobicContact CG-CE3 4.46Å; Y256-W439 HydrophobicContact CG-CH2 4.05Å; Y256-W439 AromaticContact CG-CZ3 3.94Å; Y256-W439 HydrophobicContact CG-CZ3 3.94Å; M435-W439 PolarHBondContact O-NE1 3.43Å; Q436-W439 PolarHBondContact O-N 3.02Å; W439-L441 HydrophobicContact CB-CD2 4.14Å; W439-L441 PolarHBondContact O-N 2.85Å
440D90.8Very high91Very high60 Ų6072.9 Ų72.932%0.32135%0.351SS..  trans-83.388.7172.8-169.5-34.6000109.8D442 K443 L444D440-D442 VanDerWaalsContact C-N 3.25Å; D440-D442 PolarHBondContact O-N 3.45Å; D440-D442 PolarHBondContact OD1-N 2.95Å; D440-K443 HydrophobicContact CB-CB 4.12Å; D440-K443 HydrophobicContact CB-CD 4.16Å; D440-K443 HydrophobicContact CB-CG 4.33Å; D440-K443 VanDerWaalsContact CG-CG 3.45Å; D440-K443 PolarHBondContact O-N 3.01Å; D440-K443 WeakPolarHBondContact OD1-CB 3.25Å; D440-K443 WeakPolarHBondContact OD1-CG 3.13Å; D440-K443 PolarHBondContact OD1-N 3.16Å; D440-K443 WeakPolarHBondContact OD2-CD 3.38Å; D440-K443 WeakPolarHBondContact OD2-CE 3.37Å; D440-K443 VanDerWaalsContact OD2-CG 3.3Å; D440-K443 WeakPolarHBondContact OD2-CG 3.46Å; D440-K443 IonicContact OD2-NZ 3.15Å; D440-K443 PolarHBondContact OD2-NZ 2.83Å; D440-L444 WeakPolarHBondContact O-CB 3.4Å; D440-L444 PolarHBondContact O-N 2.82Å
441L90.7Very high91.2Very high65 Ų6567.6 Ų67.634%0.3432%0.323SS..Hα-helixtrans-65.3-27.5-175.4-58.6-177.4000112.8P206 Q436 W439 R445P206-L441 HydrophobicContact CB-CD2 4.23Å; P206-L441 HydrophobicContact CG-CD2 4.35Å; Q436-L441 HydrophobicContact CB-CD1 4.46Å; W439-L441 HydrophobicContact CB-CD2 4.14Å; W439-L441 PolarHBondContact O-N 2.85Å; L441-R445 WeakPolarHBondContact O-CB 3.46Å; L441-R445 PolarHBondContact O-N 2.97Å
442D91.5Very high91.3Very high94 Ų9465.4 Ų65.450%0.50331%0.313SS..Hα-helixtrans-77.8-41.2179.1-75.4-30.8000112D440 L444 R445 K446D440-D442 VanDerWaalsContact C-N 3.25Å; D440-D442 PolarHBondContact O-N 3.45Å; D440-D442 PolarHBondContact OD1-N 2.95Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-R445 PolarHBondContact O-N 3.3Å; D442-K446 WeakPolarHBondContact O-CG 3.49Å; D442-K446 PolarHBondContact O-N 2.9Å
443K92.3Very high91.4Very high89 Ų8973.6 Ų73.639%0.38734%0.342SS..Hα-helixtrans-61.1-42.3167.4-76.5-176.4-161.1133.30111.2D255 D440 R445 K446 G447D255-K443 IonicContact OD2-NZ 2.81Å; D255-K443 PolarHBondContact OD2-NZ 3.45Å; D440-K443 HydrophobicContact CB-CB 4.12Å; D440-K443 HydrophobicContact CB-CD 4.16Å; D440-K443 HydrophobicContact CB-CG 4.33Å; D440-K443 VanDerWaalsContact CG-CG 3.45Å; D440-K443 PolarHBondContact O-N 3.01Å; D440-K443 WeakPolarHBondContact OD1-CB 3.25Å; D440-K443 WeakPolarHBondContact OD1-CG 3.13Å; D440-K443 PolarHBondContact OD1-N 3.16Å; D440-K443 WeakPolarHBondContact OD2-CD 3.38Å; D440-K443 WeakPolarHBondContact OD2-CE 3.37Å; D440-K443 VanDerWaalsContact OD2-CG 3.3Å; D440-K443 WeakPolarHBondContact OD2-CG 3.46Å; D440-K443 IonicContact OD2-NZ 3.15Å; D440-K443 PolarHBondContact OD2-NZ 2.83Å; K443-R445 VanDerWaalsContact C-N 3.35Å; K443-R445 PolarHBondContact O-N 2.85Å; K443-K446 PolarHBondContact O-N 3.24Å; K443-G447 PolarHBondContact O-N 2.85Å
444L93.1Very high91.3Very high4 Ų468.6 Ų68.62%0.02133%0.331CS..Hα-helixtrans-59.3-45.217717557000111.5P206 V208 L252 D440 D442 G447 N448P206-L444 HydrophobicContact CB-CD2 3.65Å; V208-L444 HydrophobicContact CB-CD1 4.47Å; V208-L444 HydrophobicContact CG2-CD1 3.74Å; L252-L444 HydrophobicContact CD2-CD1 4.26Å; D440-L444 WeakPolarHBondContact O-CB 3.4Å; D440-L444 PolarHBondContact O-N 2.82Å; D442-L444 VanDerWaalsContact C-N 3.32Å; L444-G447 PolarHBondContact O-N 3.43Å; L444-N448 WeakPolarHBondContact O-CB 3.5Å; L444-N448 PolarHBondContact O-N 3.41Å
445R93.1Very high91.2Very high132 Ų13264.6 Ų64.650%0.49831%0.314SS..Hα-helixtrans-59.9-49.1176-167.5-178.8-57.3163.410111.7L441 D442 K443 G447 N448 E449L441-R445 WeakPolarHBondContact O-CB 3.46Å; L441-R445 PolarHBondContact O-N 2.97Å; D442-R445 PolarHBondContact O-N 3.3Å; K443-R445 VanDerWaalsContact C-N 3.35Å; K443-R445 PolarHBondContact O-N 2.85Å; R445-G447 PolarHBondContact O-N 3.27Å; R445-N448 PolarHBondContact O-N 3.24Å; R445-E449 PolarHBondContact O-N 3.04Å
446K94.1Very high91.3Very high148 Ų14869 Ų6964%0.64333%0.332SS*.Hα-helixtrans-60.2-44.8177.7-70.7168.9-1771720112.4D442 K443 E449 E450D442-K446 WeakPolarHBondContact O-CG 3.49Å; D442-K446 PolarHBondContact O-N 2.9Å; K443-K446 PolarHBondContact O-N 3.24Å; K446-E449 PolarHBondContact O-N 3.31Å; K446-E450 PolarHBondContact O-N 3.14Å
447G93Very high91.3Very high10 Ų1068.5 Ų68.510%0.10333%0.33CS..Hα-helixtrans-66.5-34.9177.600000113.4K443 L444 R445 T451K443-G447 PolarHBondContact O-N 2.85Å; L444-G447 PolarHBondContact O-N 3.43Å; R445-G447 PolarHBondContact O-N 3.27Å; G447-T451 VanDerWaalsContact O-CB 3.28Å; G447-T451 WeakPolarHBondContact O-CB 3.49Å; G447-T451 PolarHBondContact O-N 2.82Å; G447-T451 PolarHBondContact O-OG1 3.27Å
448N95.1Very high91.4Very high5 Ų561.7 Ų61.73%0.02730%0.302CS..Hα-helixtrans-65.5-47170.2-79-15.2000111.1Q202 A207 A209 L444 R445 E450 T451 L452Q202-N448 PolarHBondContact NE2-ND2 3.25Å; Q202-N448 VanDerWaalsContact NE2-ND2 3.17Å; A207-N448 PolarHBondContact O-ND2 2.88Å; A209-N448 HydrophobicContact CB-CB 4.44Å; A209-N448 PolarHBondContact N-OD1 2.85Å; L444-N448 WeakPolarHBondContact O-CB 3.5Å; L444-N448 PolarHBondContact O-N 3.41Å; R445-N448 PolarHBondContact O-N 3.24Å; N448-E450 PolarHBondContact O-N 2.95Å; N448-T451 WeakPolarHBondContact O-CB 3.42Å; N448-T451 PolarHBondContact O-N 3.38Å; N448-L452 VanDerWaalsContact O-CG 3.27Å; N448-L452 WeakPolarHBondContact O-CG 3.23Å; N448-L452 PolarHBondContact O-N 2.95Å
449E94.3Very high91.6Very high78 Ų7865 Ų6536%0.36431%0.306SS..Hα-helixtrans-58.9-44.9176.8-75.6-178.4-138.700112.8R445 K446 T451 L452 R453R445-E449 PolarHBondContact O-N 3.04Å; K446-E449 PolarHBondContact O-N 3.31Å; E449-T451 VanDerWaalsContact C-N 3.33Å; E449-T451 PolarHBondContact O-N 2.85Å; E449-L452 PolarHBondContact O-N 3.4Å; E449-R453 WeakPolarHBondContact O-CB 3.32Å; E449-R453 WeakPolarHBondContact O-CG 3.3Å; E449-R453 PolarHBondContact O-N 3.24Å; E449-R453 IonicContact OE2-CZ 3.5Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 2.97Å
450E93.4Very high91.3Very high120 Ų12069.4 Ų69.456%0.56133%0.327SS*.Hα-helixtrans-61-42.8174.8-174.6-174.8-175.900111.4K446 N448 L452 R453 S454K446-E450 PolarHBondContact O-N 3.14Å; N448-E450 PolarHBondContact O-N 2.95Å; E450-L452 PolarHBondContact O-N 3.19Å; E450-R453 PolarHBondContact O-N 3.42Å; E450-S454 WeakPolarHBondContact O-CB 3.49Å; E450-S454 PolarHBondContact O-N 2.88Å; E450-S454 PolarHBondContact O-OG 3.11Å
451T92.9Very high91Very high7 Ų770.3 Ų70.34%0.04334%0.343CS..Hα-helixtrans-61.6-44.2176.5-64.90000111.3I186 A209 G245 G447 N448 E449 S454 V455I186-T451 HydrophobicContact CD1-CG2 3.85Å; A209-T451 HydrophobicContact CB-CG2 4.28Å; G245-T451 WeakPolarHBondContact CA-OG1 3.45Å; G245-T451 PolarHBondContact N-OG1 2.99Å; G447-T451 VanDerWaalsContact O-CB 3.28Å; G447-T451 WeakPolarHBondContact O-CB 3.49Å; G447-T451 PolarHBondContact O-N 2.82Å; G447-T451 PolarHBondContact O-OG1 3.27Å; N448-T451 WeakPolarHBondContact O-CB 3.42Å; N448-T451 PolarHBondContact O-N 3.38Å; E449-T451 VanDerWaalsContact C-N 3.33Å; E449-T451 PolarHBondContact O-N 2.85Å; T451-S454 PolarHBondContact O-N 3.21Å; T451-V455 WeakPolarHBondContact O-CG2 3.3Å; T451-V455 PolarHBondContact O-N 2.86Å
452L92.9Very high90.7Very high8 Ų869.7 Ų69.74%0.04235%0.345CS..Hα-helixtrans-65.2-46.8176.6-65.1173000111.3I186 V194 E195 L198 N448 E449 E450 S454 V455 F457I186-L452 HydrophobicContact CD1-CD2 4.46Å; V194-L452 HydrophobicContact CB-CD2 4.32Å; V194-L452 HydrophobicContact CG1-CD2 3.72Å; E195-L452 HydrophobicContact CG-CD1 3.64Å; L198-L452 HydrophobicContact CD1-CD1 4.03Å; L198-L452 HydrophobicContact CD1-CD2 4.41Å; N448-L452 VanDerWaalsContact O-CG 3.27Å; N448-L452 WeakPolarHBondContact O-CG 3.23Å; N448-L452 PolarHBondContact O-N 2.95Å; E449-L452 PolarHBondContact O-N 3.4Å; E450-L452 PolarHBondContact O-N 3.19Å; L452-S454 PolarHBondContact O-N 3.15Å; L452-S454 VanDerWaalsContact O-N 3.14Å; L452-V455 PolarHBondContact O-N 2.97Å; L452-V455 VanDerWaalsContact O-N 3.15Å; L452-F457 HydrophobicContact CB-CE2 4.46Å; L452-F457 HydrophobicContact CB-CZ 4.25Å; L452-F457 HydrophobicContact CD2-CE1 4.31Å; L452-F457 HydrophobicContact CD2-CZ 3.62Å; L452-F457 WeakPolarHBondContact O-CE2 3.47Å
453R91.5Very high90.6Very high183 Ų18365.2 Ų65.269%0.69132%0.321SS*.Hα-helixtrans-57.1-30176.5-69.7168.3-159.9-161.18112.5E449 E450E449-R453 WeakPolarHBondContact O-CB 3.32Å; E449-R453 WeakPolarHBondContact O-CG 3.3Å; E449-R453 PolarHBondContact O-N 3.24Å; E449-R453 IonicContact OE2-CZ 3.5Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 2.97Å; E450-R453 PolarHBondContact O-N 3.42Å
454S87.9Confident90.5Very high54 Ų5461 Ų6138%0.37830%0.302SS..Hα-helixtrans-83.2-12.9-177.7-55.30000114.8Y244 E450 T451 L452Y244-S454 VanDerWaalsContact CD1-CB 3.44Å; Y244-S454 WeakPolarHBondContact CE1-O 3.17Å; Y244-S454 VanDerWaalsContact CZ-O 3.31Å; Y244-S454 PolarHBondContact OH-O 3.48Å; E450-S454 WeakPolarHBondContact O-CB 3.49Å; E450-S454 PolarHBondContact O-N 2.88Å; E450-S454 PolarHBondContact O-OG 3.11Å; T451-S454 PolarHBondContact O-N 3.21Å; L452-S454 PolarHBondContact O-N 3.15Å; L452-S454 VanDerWaalsContact O-N 3.14Å
455V88.9Confident90.4Very high10 Ų1063 Ų636%0.06131%0.314CS..SBendtrans-101.8137.6-172.7168.20000112.7I186 D187 K211 Y244 T451 L452 F457I186-V455 HydrophobicContact CD1-CG2 4.08Å; I186-V455 HydrophobicContact CG1-CG1 4.4Å; I186-V455 HydrophobicContact CG1-CG2 4.43Å; D187-V455 HydrophobicContact CB-CG1 3.82Å; K211-V455 HydrophobicContact CB-CG2 4.5Å; K211-V455 HydrophobicContact CD-CG1 4.47Å; K211-V455 HydrophobicContact CD-CG2 4.22Å; Y244-V455 HydrophobicContact CD1-CG2 4.32Å; Y244-V455 HydrophobicContact CD2-CG2 3.72Å; Y244-V455 HydrophobicContact CE2-CG2 4.17Å; Y244-V455 HydrophobicContact CG-CG2 3.76Å; T451-V455 WeakPolarHBondContact O-CG2 3.3Å; T451-V455 PolarHBondContact O-N 2.86Å; L452-V455 PolarHBondContact O-N 2.97Å; L452-V455 VanDerWaalsContact O-N 3.15Å; V455-F457 HydrophobicContact CB-CE1 4.29Å; V455-F457 HydrophobicContact CB-CE2 4.13Å; V455-F457 HydrophobicContact CB-CZ 3.87Å; V455-F457 HydrophobicContact CG1-CD1 4.04Å; V455-F457 HydrophobicContact CG1-CE1 3.72Å; V455-F457 HydrophobicContact CG1-CE2 4.24Å; V455-F457 HydrophobicContact CG1-CG 4.44Å; V455-F457 HydrophobicContact CG1-CZ 3.82Å; V455-F457 VanDerWaalsContact O-CD2 3.3Å; V455-F457 WeakPolarHBondContact O-CD2 3.43Å; V455-F457 WeakPolarHBondContact O-CE2 3.41Å; V455-F457 PolarHBondContact O-N 2.87Å
456K89.1Confident90.2Very high100 Ų10056.8 Ų56.844%0.43529%0.291SS..  trans-86.493.9174.4-67.6-176.5-179.4175.30112.3
457F90.7Very high89.9Confident38 Ų3854.8 Ų54.817%0.16729%0.287CS..PPolyproline II helixtrans-71.8158.8177.9-60.4-73.2000114.1I186 V189 K191 V194 L452 V455I186-F457 HydrophobicContact CB-CE1 4.32Å; I186-F457 WeakPolarHBondContact O-CD1 3.39Å; I186-F457 WeakPolarHBondContact O-CE1 3.36Å; V189-F457 VanDerWaalsContact O-CD1 3.25Å; V189-F457 WeakPolarHBondContact O-CD1 3.43Å; K191-F457 HydrophobicContact CB-CB 4.25Å; K191-F457 HydrophobicContact CB-CD1 4.32Å; K191-F457 HydrophobicContact CB-CD2 3.51Å; K191-F457 HydrophobicContact CB-CE2 3.84Å; K191-F457 HydrophobicContact CB-CG 3.76Å; K191-F457 HydrophobicContact CB-CZ 4.39Å; K191-F457 HydrophobicContact CD-CD2 4.08Å; K191-F457 HydrophobicContact CD-CE2 3.94Å; K191-F457 HydrophobicContact CG-CD2 3.8Å; K191-F457 HydrophobicContact CG-CE2 3.62Å; K191-F457 HydrophobicContact CG-CG 4.46Å; K191-F457 HydrophobicContact CG-CZ 4.17Å; V194-F457 HydrophobicContact CG2-CE1 4.23Å; L452-F457 HydrophobicContact CB-CE2 4.46Å; L452-F457 HydrophobicContact CB-CZ 4.25Å; L452-F457 HydrophobicContact CD2-CE1 4.31Å; L452-F457 HydrophobicContact CD2-CZ 3.62Å; L452-F457 WeakPolarHBondContact O-CE2 3.47Å; V455-F457 HydrophobicContact CB-CE1 4.29Å; V455-F457 HydrophobicContact CB-CE2 4.13Å; V455-F457 HydrophobicContact CB-CZ 3.87Å; V455-F457 HydrophobicContact CG1-CD1 4.04Å; V455-F457 HydrophobicContact CG1-CE1 3.72Å; V455-F457 HydrophobicContact CG1-CE2 4.24Å; V455-F457 HydrophobicContact CG1-CG 4.44Å; V455-F457 HydrophobicContact CG1-CZ 3.82Å; V455-F457 VanDerWaalsContact O-CD2 3.3Å; V455-F457 WeakPolarHBondContact O-CD2 3.43Å; V455-F457 WeakPolarHBondContact O-CE2 3.41Å; V455-F457 PolarHBondContact O-N 2.87Å
458P89.8Confident89.3Confident16 Ų1655.7 Ų55.710%0.10429%0.292CS..PPolyproline II helixtrans-80.5151.2166.633.1-31.4000111.2D187 V189 S412D187-P458 WeakPolarHBondContact O-CD 3.28Å; V189-P458 WeakPolarHBondContact O-CD 3.4Å; S412-P458 VanDerWaalsContact OG-CG 3.26Å; S412-P458 WeakPolarHBondContact OG-CG 3.36Å
459N89Confident88.5Confident125 Ų12561 Ų6167%0.66832%0.315SS*.PPolyproline II helixtrans-67.7146.2172.6-64.87.3000110A461 S462 S463N459-A461 VanDerWaalsContact C-N 3.26Å; N459-A461 PolarHBondContact O-N 3.37Å; N459-S462 PolarHBondContact O-N 2.93Å; N459-S462 PolarHBondContact O-OG 3.19Å; N459-S463 PolarHBondContact O-N 3.38Å
460Q83.8Confident88Confident111 Ų11158.3 Ų58.352%0.51931%0.307SS..G310 helixtrans-57.6-39.1-178.8-163.3177.939.100112.6P190 S462 S463P190-Q460 HydrophobicContact CB-CB 4.46Å; P190-Q460 HydrophobicContact CG-CB 4.41Å; P190-Q460 HydrophobicContact CG-CG 4.46Å; Q460-S462 VanDerWaalsContact C-N 3.28Å; Q460-S462 PolarHBondContact O-N 3.47Å; Q460-S463 PolarHBondContact O-N 3.13Å
461A83.4Confident87.7Confident79 Ų7955.7 Ų55.765%0.65330%0.301SS*.G310 helixtrans-64.4-25.1176.700000114.5N459N459-A461 VanDerWaalsContact C-N 3.26Å; N459-A461 PolarHBondContact O-N 3.37Å
462S84.5Confident87.5Confident53 Ų5355.3 Ų55.337%0.37130%0.299SS..G310 helixtrans-93.81.9177.664.80000113.9N459 Q460N459-S462 PolarHBondContact O-N 2.93Å; N459-S462 PolarHBondContact O-OG 3.19Å; Q460-S462 VanDerWaalsContact C-N 3.28Å; Q460-S462 PolarHBondContact O-N 3.47Å
463S89.4Confident87.2Confident0 Ų056 Ų560%031%0.306CS..SBendtrans-106.8125.3-179.7-163.70000111.2Q360 S412 H414 N459 Q460 V465Q360-S463 PolarHBondContact NE2-O 3.2Å; S412-S463 VanDerWaalsContact OG-CB 3.23Å; S412-S463 WeakPolarHBondContact OG-CB 2.91Å; S412-S463 PolarHBondContact OG-OG 2.91Å; H414-S463 WeakPolarHBondContact ND1-CB 3.38Å; H414-S463 PolarHBondContact ND1-OG 2.87Å; N459-S463 PolarHBondContact O-N 3.38Å; Q460-S463 PolarHBondContact O-N 3.13Å; S463-V465 PolarHBondContact O-N 3.25Å
464I91.4Very high86.9Confident1 Ų147.8 Ų47.81%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-70.6123.1179.9-58.6167.3000109.6C356 Q360 V361 Q364 W406 L411 S412 Y413 H414C356-I464 HydrophobicContact CB-CG2 3.91Å; Q360-I464 HydrophobicContact CB-CB 4.46Å; Q360-I464 HydrophobicContact CB-CG1 4.1Å; Q360-I464 HydrophobicContact CB-CG2 4.46Å; V361-I464 HydrophobicContact CG2-CD1 4.14Å; V361-I464 HydrophobicContact CG2-CG2 4.2Å; Q364-I464 HydrophobicContact CB-CD1 4.24Å; Q364-I464 HydrophobicContact CG-CD1 4.18Å; W406-I464 HydrophobicContact CH2-CG2 4.4Å; W406-I464 HydrophobicContact CZ3-CD1 4.16Å; L411-I464 HydrophobicContact CD1-CD1 4.02Å; L411-I464 HydrophobicContact CD2-CD1 4.45Å; L411-I464 HydrophobicContact CG-CD1 4.5Å; S412-I464 PolarHBondContact O-N 3.32Å; Y413-I464 CarbonylContact C-O 3.55Å; Y413-I464 WeakPolarHBondContact CA-O 3.45Å; Y413-I464 VanDerWaalsContact CB-O 3.26Å; Y413-I464 WeakPolarHBondContact CB-O 3.46Å; H414-I464 PolarHBondContact N-O 2.99Å
465V91Very high86.7Confident44 Ų4446.6 Ų46.627%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-74.4128.3172.4-178.80000109.2N357 H414 K416 S463N357-V465 PolarHBondContact N-O 3.44Å; H414-V465 WeakPolarHBondContact O-CA 3.35Å; K416-V465 HydrophobicContact CG-CG1 4.47Å; S463-V465 PolarHBondContact O-N 3.25Å
466L89Confident86.2Confident3 Ų347.2 Ų47.22%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-115133.6179.1178.969.4000110.5D157 L333 Q355 W406 Y413 H414 C415 S468D157-L466 HydrophobicContact CB-CD2 4.49Å; L333-L466 HydrophobicContact CD1-CD1 4.27Å; L333-L466 HydrophobicContact CD1-CD2 3.87Å; L333-L466 HydrophobicContact CD2-CD1 3.79Å; L333-L466 HydrophobicContact CD2-CD2 3.68Å; L333-L466 HydrophobicContact CD2-CG 4.4Å; L333-L466 HydrophobicContact CG-CD2 4.44Å; Q355-L466 HydrophobicContact CB-CD1 3.64Å; W406-L466 HydrophobicContact CZ2-CD1 4.33Å; W406-L466 HydrophobicContact CZ2-CD2 4.42Å; Y413-L466 HydrophobicContact CD2-CB 4.31Å; Y413-L466 HydrophobicContact CD2-CD2 3.85Å; Y413-L466 HydrophobicContact CE2-CD2 3.77Å; H414-L466 PolarHBondContact O-N 3.4Å; C415-L466 VanDerWaalsContact CA-O 3.32Å; C415-L466 WeakPolarHBondContact CA-O 3.3Å; L466-S468 PolarHBondContact O-N 3.33Å
467L87.1Confident85Confident105 Ų10546.7 Ų46.755%0.5528%0.28SS..  trans-79.6109.4167.5-173.665000109.7Q355Q355-L467 PolarHBondContact O-N 3.32Å
468S79.9Confident82.8Confident30 Ų3050 Ų5021%0.2130%0.299CS..  trans-72.4152.3172.8-169.30000110.7D157 L466D157-S468 WeakPolarHBondContact OD1-CB 3.24Å; D157-S468 PolarHBondContact OD1-OG 2.89Å; L466-S468 PolarHBondContact O-N 3.33Å
469K79.1Confident80.6Confident117 Ų11752.7 Ų52.751%0.50932%0.315SS..  trans-109.713.9179.2-71-68.4178.2-175.20113.4
470G84.4Confident78.2Confident20 Ų2052.7 Ų52.721%0.20632%0.319CS..  trans86.8-171-178.700000113.4G160G160-G470 WeakPolarHBondContact CA-O 3.49Å
471P86.7Confident76Confident65 Ų6552.6 Ų52.642%0.42232%0.319SS..  trans-59.5155.3-178.4-23.734.9000114.3L159 P164L159-P471 WeakPolarHBondContact O-CA 3.41Å; P164-P471 HydrophobicContact CG-CB 3.6Å; P164-P471 HydrophobicContact CG-CG 4.24Å
472T87.6Confident73.5Confident0 Ų056 Ų560%033%0.326CS..  trans-108.3124.5-179.9-61.30000109.8G160 R162 F273 A322 N326 R334 G474G160-T472 WeakPolarHBondContact O-CB 3.48Å; G160-T472 PolarHBondContact O-OG1 3.06Å; R162-T472 PolarHBondContact O-N 2.92Å; R162-T472 VanDerWaalsContact O-N 3.16Å; F273-T472 HydrophobicContact CE1-CG2 4Å; F273-T472 HydrophobicContact CE2-CG2 4.35Å; F273-T472 HydrophobicContact CZ-CG2 3.71Å; F273-T472 WeakPolarHBondContact CZ-O 3.47Å; A322-T472 HydrophobicContact CB-CG2 3.98Å; N326-T472 HydrophobicContact CB-CG2 4.47Å; R334-T472 PolarHBondContact NH1-OG1 3.2Å; T472-G474 PolarHBondContact O-N 2.91Å
473A86.8Confident70.7Confident23 Ų2362.7 Ų62.719%0.1935%0.348CS..PPolyproline II helixtrans-67.8126.2179.600000111.3Q165 A323 N326Q165-A473 VanDerWaalsContact OE1-CA 3.3Å; A323-A473 HydrophobicContact CB-CB 4.15Å; A323-A473 PolarHBondContact N-O 3.3Å; N326-A473 PolarHBondContact ND2-O 3.47Å; N326-A473 PolarHBondContact OD1-N 3.04Å
474G84.6Confident68Low10 Ų1068.6 Ų68.610%0.10339%0.387CS..EExtended strand (participates in β ladder)trans-95.5155.6174.100000113.2C163 V321 T472C163-G474 VanDerWaalsContact SG-CA 3.55Å; V321-G474 WeakPolarHBondContact O-CA 3.36Å; T472-G474 PolarHBondContact O-N 2.91Å
475V84.9Confident64.9Low28 Ų2872.5 Ų72.517%0.1742%0.42CS..EExtended strand (participates in β ladder)trans-101118.3170.8-179.10000108.9C136 V321 A323 S477 V479C136-V475 PolarHBondContact SG-O 2.89Å; V321-V475 HydrophobicContact CB-CB 4.43Å; V321-V475 HydrophobicContact CG1-CB 4.49Å; V321-V475 PolarHBondContact O-N 3.36Å; A323-V475 HydrophobicContact CB-CG2 3.85Å; V475-S477 WeakPolarHBondContact CG1-O 3.26Å; V475-V479 HydrophobicContact CG1-CG2 3.45Å; V475-V479 VanDerWaalsContact CG1-CG2 3.45Å; V475-V479 HydrophobicContact CG2-CG2 4.49Å
476L77.2Confident62Low24 Ų2476.6 Ų76.613%0.12645%0.447CS..  trans-119-22.6-177.3-61.2174.6000113.4L139 N140 Q165 L166 A169L139-L476 HydrophobicContact CD2-CD2 3.63Å; N140-L476 PolarHBondContact ND2-O 3.16Å; Q165-L476 HydrophobicContact CB-CD1 3.86Å; Q165-L476 WeakPolarHBondContact O-CD1 3.43Å; L166-L476 HydrophobicContact CB-CD1 4.08Å; L166-L476 HydrophobicContact CD1-CD2 4.38Å; A169-L476 HydrophobicContact CB-CD1 4.08Å
477S65.3Low59.1Low89 Ų8985.2 Ų85.262%0.62249%0.487SS*.SBendtrans-111.5162.7177.652.70000111.8V475 V479V475-S477 WeakPolarHBondContact CG1-O 3.26Å; S477-V479 PolarHBondContact O-N 3.38Å
478D45Very low56.4Low108 Ų10885.9 Ų85.958%0.57850%0.497SS*.  trans-65.396.9174.9-92.2-60.4000111.2K133 V480K133-D478 WeakPolarHBondContact CD-OD1 3.44Å; K133-D478 VanDerWaalsContact CE-OD1 3.29Å; K133-D478 WeakPolarHBondContact CE-OD1 3.4Å; K133-D478 WeakPolarHBondContact CG-OD1 3.48Å; K133-D478 IonicContact NZ-OD1 2.69Å; K133-D478 PolarHBondContact NZ-OD1 3.35Å; D478-V480 PolarHBondContact O-N 2.97Å; D478-V480 VanDerWaalsContact O-N 3.12Å
479V43.5Very low53.9Low71 Ų7191.1 Ų91.143%0.4353%0.528SS..  trans-67.6113.7176.8-163.60000109.8V475 S477 E481V475-V479 HydrophobicContact CG1-CG2 3.45Å; V475-V479 VanDerWaalsContact CG1-CG2 3.45Å; V475-V479 HydrophobicContact CG2-CG2 4.49Å; S477-V479 PolarHBondContact O-N 3.38Å; V479-E481 HydrophobicContact CB-CG 4.27Å; V479-E481 HydrophobicContact CG1-CB 4.43Å; V479-E481 HydrophobicContact CG1-CG 3.55Å; V479-E481 PolarHBondContact O-N 3.02Å
480V37.5Very low51.6Low125 Ų12594.5 Ų94.576%0.75855%0.546SS*.  trans-76.1102.9147.7177.50000105D478 D482D478-V480 PolarHBondContact O-N 2.97Å; D478-V480 VanDerWaalsContact O-N 3.12Å; V480-D482 PolarHBondContact O-N 3.31Å
481E37.4Very low48.9Very low110 Ų110102 Ų10251%0.51458%0.576SS.*  trans-75.1107.7173.4-72.1-177.9158.900107.5Q324 V479 K483Q324-E481 PolarHBondContact NE2-OE1 3.37Å; V479-E481 HydrophobicContact CB-CG 4.27Å; V479-E481 HydrophobicContact CG1-CB 4.43Å; V479-E481 HydrophobicContact CG1-CG 3.55Å; V479-E481 PolarHBondContact O-N 3.02Å; E481-K483 PolarHBondContact O-N 3.43Å
482D30.8Very low45.9Very low151 Ų151106 Ų10681%0.80759%0.594SS**PPolyproline II helixtrans-56.5128.3166.9-88.5-40000109V480V480-D482 PolarHBondContact O-N 3.31Å
483K27.2Very low43Very low192 Ų192115.3 Ų115.384%0.83564%0.64SS**PPolyproline II helixtrans-68.6134.3170.9-70.5177.7176.8177.10108E481 A485E481-K483 PolarHBondContact O-N 3.43Å; K483-A485 PolarHBondContact O-N 3.24Å
484P31Very low40.1Very low124 Ų124123.7 Ų123.781%0.80568%0.675SS**PPolyproline II helixtrans-58.7133.1161.626.7-32.2000108.6
485A27.6Very low37.2Very low84 Ų84126.4 Ų126.469%0.69470%0.702SS**PPolyproline II helixtrans-63.5147.2173.700000110K483 E487K483-A485 PolarHBondContact O-N 3.24Å; A485-E487 PolarHBondContact O-N 3.4Å
486P30.4Very low34.2Very low129 Ų129130.4 Ų130.484%0.83873%0.732SS**PPolyproline II helixtrans-77.5117.9171.931.5-30.3000109.2
487E27.6Very low31.5Very low185 Ų185134.9 Ų134.986%0.86476%0.764SS**PPolyproline II helixtrans-87.1152.8163-83.1-171-178.100110.7A485A485-E487 PolarHBondContact O-N 3.4Å
488P29.7Very low29.5Very low118 Ų118138.6 Ų138.677%0.76677%0.771SS**PPolyproline II helixtrans-86163.6-149.233.5-36.7000114.4
489T27.3Very low28.6Very low140 Ų140140 Ų14086%0.85978%0.779SS**PPolyproline II helixtrans-69.4131.9167.843.30000111.1
490E31.6Very low27.7Very low189 Ų189146.7 Ų146.788%0.88380%0.802SS**PPolyproline II helixtrans-75.2117.4165.5-65.4-179.6172.900110
491E27Very low27.1Very low178 Ų178149.8 Ų149.883%0.83281%0.808SS**  trans-161.1147.6151.1-110.4161.5-148.100107.9
492D25.2Very low26.6Very low149 Ų149149.6 Ų149.680%0.79783%0.825SS**  trans67.195.6173.1-53.9-22.9000120.2
493M26.7Very low26.2Very low195 Ų195146.3 Ų146.396%0.96183%0.827SS**  -167129101.5-104.7-165.2174.900114.1
494E24.5Very low26.1Very low199 Ų199141 Ų14193%0.9383%0.827SS**  trans-81.5159.4163.3-57.4179.8135.600111.2
495G24Very low25.8Very low66 Ų66141.5 Ų141.568%0.6883%0.828SS**  trans150.5110.2152.900000118.8
496S22.1Very low25.7Very low113 Ų113146.3 Ų146.379%0.7983%0.833SS**  trans60.6116.8155.349.20000119.1
497C21.1Very low25.5Very low117 Ų117148.2 Ų148.279%0.79183%0.831SS**  70.3135.880.8-61.40000112.8
498E23.5Very low25.3Very low168 Ų168145.7 Ų145.779%0.78583%0.827SS**  cis-164.4145.829.9-143.3167.6-128.900114.4
499N24.7Very low25.1Very low138 Ų138144 Ų14474%0.73882%0.818SS**  trans30.1135.4148.5-62.2-18.2000125
500K26.1Very low25.2Very low210 Ų210144.6 Ų144.691%0.91381%0.812SS**  -161143.4114.3-108.9168.3-173.5176.20114.6
501E24.3Very low24.9Very low191 Ų191144.6 Ų144.689%0.89381%0.812SS**  trans-81.5177.9179.2-49.9160.5123.900111
502A26.3Very low24.8Very low105 Ų105139 Ų13987%0.86880%0.802SS**  cis-154-1727.800000108.1
503G23.3Very low24.8Very low82 Ų82138.7 Ų138.785%0.84581%0.805SS**  cis147.7131.9-200000111.9
504G24.1Very low24.8Very low81 Ų81133.8 Ų133.884%0.83580%0.795SS**  trans170.4134.8178.300000115.8
505V25.6Very low25Very low135 Ų135133.4 Ų133.482%0.81879%0.794SS**  trans-122.5149.3-162.5171.70000113.8
506K24.5Very low25Very low185 Ų185135.6 Ų135.680%0.80479%0.794SS**  trans169122.9136.7-93.2174.2178.6-171.10110.4
507E25.6Very low25.2Very low169 Ų169137.7 Ų137.779%0.7980%0.796SS**  58.6134.779.7-66-170.2152.400113.5
508V25Very low25.5Very low131 Ų131139.7 Ų139.779%0.79479%0.794SS**  -152.1170.154.8167.20000113
509S25.3Very low25.9Very low83 Ų83137.5 Ų137.558%0.5880%0.795SS**  trans-53.5-174.4-176.860.50000119.2
510E28Very low26Very low153 Ų153139.1 Ų139.172%0.71580%0.798SS**  cis-165.115422.4-144.4135.3-106.900114.9
511E25.5Very low26.1Very low189 Ų189137.1 Ų137.188%0.88380%0.795SS**  trans41.7150.3150.1-69.3176.5-179.500124.9
512G26.3Very low26.2Very low61 Ų61137.5 Ų137.563%0.62979%0.794SS**  cis174.3166.3-4.200000116.1
513T24.9Very low26.3Very low142 Ų142138.7 Ų138.787%0.87179%0.791SS**  trans61.9121.316352.30000120.6
514A27Very low26.8Very low91 Ų91141 Ų14175%0.75279%0.791SS**  82.4144.869.100000113.4
515E27.2Very low27.1Very low191 Ų191145 Ų14589%0.89379%0.792SS**  cis-156-163.411.6-143.6165.3-142.200112.8
516T24.9Very low27.1Very low112 Ų112145.7 Ų145.769%0.68780%0.797SS**  trans-95.2161-16543.80000117.7
517D26.3Very low27.3Very low157 Ų157144 Ų14484%0.8480%0.797SS**  161.6154.5113.8-91-28.5000117.2
518E27.6Very low27.5Very low159 Ų159146.1 Ų146.174%0.74380%0.803SS**  trans-79.5165.7166-66.4-165.3153.400112.1
519P31Very low27.6Very low123 Ų123148.8 Ų148.880%0.79981%0.807SS**  -152166.1105.136.3-18.5000117.5
520Q27.6Very low27.8Very low172 Ų172150 Ų15080%0.80482%0.822SS**  trans-95.6134.5171.9-54.1172.812.600112.9
521I27.4Very low27.7Very low168 Ų168152.4 Ų152.486%0.86283%0.83SS**  trans-139.1159.9163.5-62.9-172.2000112.2
522K26.4Very low28.1Very low198 Ų198150.3 Ų150.386%0.86183%0.83SS**  trans-95.8169.1-158.7-61.8157.6-179.4167.30115.8
523T29.8Very low28.2Very low131 Ų131150.8 Ų150.880%0.80484%0.835SS**  trans-56.9159.6176.455.80000116.7
524P32.8Very low28.5Very low131 Ų131152.3 Ų152.385%0.85184%0.837SS**  -148.8-178.689.938-18.3000117.8
525L29.7Very low28.9Very low165 Ų165157 Ų15786%0.86484%0.843SS**  trans-73.6157-169.1-63.4128.1000117.1
526T27.3Very low29.3Very low149 Ų149154 Ų15491%0.91484%0.837SS**  trans-151.6154.2135.133.70000112.8
527N27.2Very low29.9Very low150 Ų150154.3 Ų154.380%0.80284%0.841SS**  trans-86.5151.3-177.9-88.7-44.8000113.7
528K29.3Very low30.5Very low213 Ų213153 Ų15393%0.92684%0.839SS**  trans-159.8144.1132.8-109.2164.3-170.2178.60111.9
529Q27.4Very low30.8Very low187 Ų187151.2 Ų151.287%0.87484%0.841SS**  trans-99.2148.3-174.9-62172.7-6.600111.6
530A29.4Very low31.2Very low108 Ų108151.8 Ų151.889%0.89384%0.842SS**  trans-145.8140.9157.600000110.3
531K27.5Very low31.3Very low203 Ų203151.3 Ų151.388%0.88385%0.845SS**  trans-95.7144.2-176.3-67.1169.41761710111.1
532V32.3Very low31.6Very low146 Ų146150.3 Ų150.389%0.88584%0.84SS**  trans-133.9132.8151.7-176.70000108.1
533G29.3Very low31.7Very low71 Ų71148.4 Ų148.473%0.73284%0.839SS**PPolyproline II helixtrans-88.7146.1-171.600000114.1
534L31.2Very low32.2Very low174 Ų174149.8 Ų149.891%0.91184%0.841SS**PPolyproline II helixtrans-86.6127.6169.6-120.774.9000110
535Q34.4Very low32.3Very low190 Ų190148.8 Ų148.889%0.88884%0.837SS**PPolyproline II helixtrans-84154.9167.6-82.4-174.6-13.200112.2
536V37Very low32.5Very low126 Ų126146.9 Ų146.976%0.76484%0.837SS**PPolyproline II helixtrans-92.6140-166.8179.30000111.2
537P37.8Very low33.1Very low119 Ų119145.8 Ų145.877%0.77383%0.83SS**PPolyproline II helixtrans-76.4131.717330.1-33.6000112.5
538V39Very low33.4Very low129 Ų129147.5 Ų147.578%0.78283%0.833SS**PPolyproline II helixtrans-75.6140.4176.2179.70000110.7
539P33.7Very low34Very low123 Ų123142.3 Ų142.380%0.79982%0.819SS**PPolyproline II helixtrans-83.8130.7178.432.6-33.4000112.4
540V37.7Very low34.7Very low134 Ų134140 Ų14081%0.81281%0.813SS**PPolyproline II helixtrans-94.5126.6170.7179.10000109.9
541N31.5Very low35.3Very low163 Ų163143.2 Ų143.287%0.87282%0.815SS**PPolyproline II helixtrans-81.1143.1170.9-108.5-29.5000110.2
542I33.7Very low36.2Very low147 Ų147140.1 Ų140.175%0.75481%0.814SS**  trans-127.1111.6166.1-58174.4000106.5
543D28.3Very low37.6Very low157 Ų157140.9 Ų140.984%0.8480%0.802SS**  trans-130.8147161.7-148.1-12.3000108.9
544L40.5Very low39.1Very low161 Ų161142.2 Ų142.284%0.84379%0.792SS**  trans-121.477.7-159.1-113.2167.6000110.8
545S34.8Very low39.8Very low109 Ų109142.2 Ų142.276%0.76279%0.785SS**  trans-164.887.3169.762.10000115.2
546S32.1Very low41Very low125 Ų125139.8 Ų139.887%0.87478%0.778SS**  trans-172.8136.1137.648.30000110.5
547V41.3Very low42Very low127 Ų127139 Ų13977%0.7777%0.774SS**  trans-78.6131.4167.1172.70000107.6
548H32.5Very low42.7Very low185 Ų185138.8 Ų138.886%0.85677%0.766SS**  trans-161.9160.2141.2-99.9-62.6000110.4
549T42.2Very low43Very low105 Ų105142.1 Ų142.164%0.64477%0.77SS**  trans-100.6168.2-165.950.80000112.8
550D42.4Very low43.5Very low139 Ų139150 Ų15074%0.74379%0.792SS**  trans66.7110.5162.4-49.5-45.4000117.5
551D41.7Very low43.7Very low174 Ų174150.8 Ų150.893%0.9379%0.791SS**  trans-151.7129.2136.6-104.1-32.9000109.2
552T47.6Very low44.4Very low139 Ų139150.1 Ų150.185%0.85379%0.787SS**  trans-98121-175.6-57.10000109.2D554T552-D554 PolarHBondContact O-N 3.39Å
553Y61Low45Very low161 Ų161150.3 Ų150.363%0.63179%0.788SS**  trans-79.3114.3-173.9-170.4-98000112F555 D558Y553-F555 AromaticContact CD1-CD2 3.99Å; Y553-F555 HydrophobicContact CD1-CD2 3.99Å; Y553-F555 AromaticContact CD1-CE2 3.97Å; Y553-F555 HydrophobicContact CD1-CE2 3.97Å; Y553-F555 HydrophobicContact CE1-CD2 4.35Å; Y553-F555 HydrophobicContact CE1-CE2 4.29Å; Y553-D558 PolarHBondContact OH-OD2 3.31Å
554D61.7Low46Very low99 Ų99149.9 Ų149.953%0.52979%0.785SS.*  trans-82.8128.4175.2-175.6-0.7000110.8T552 N556T552-D554 PolarHBondContact O-N 3.39Å; D554-N556 PolarHBondContact OD1-N 3.17Å; D554-N556 VanDerWaalsContact OD1-N 3.15Å; D554-N556 PolarHBondContact OD1-ND2 3.43Å
555F45.9Very low46.3Very low175 Ų175149.2 Ų149.277%0.76878%0.782SS**G310 helixtrans-84.9-3.1-173.8-103.2-95.7000114.6Y553 T557Y553-F555 AromaticContact CD1-CD2 3.99Å; Y553-F555 HydrophobicContact CD1-CD2 3.99Å; Y553-F555 AromaticContact CD1-CE2 3.97Å; Y553-F555 HydrophobicContact CD1-CE2 3.97Å; Y553-F555 HydrophobicContact CE1-CD2 4.35Å; Y553-F555 HydrophobicContact CE1-CE2 4.29Å; F555-T557 PolarHBondContact O-N 3.07Å
556N57.8Low47.1Very low139 Ų139151.9 Ų151.974%0.74378%0.783SS**G310 helixtrans-83.72-172.1-71.6-58.8000115.9D554D554-N556 PolarHBondContact OD1-N 3.17Å; D554-N556 VanDerWaalsContact OD1-N 3.15Å; D554-N556 PolarHBondContact OD1-ND2 3.43Å
557T58.9Low48.1Very low110 Ų110153.8 Ų153.868%0.67578%0.777SS**G310 helixtrans-97.6-18.4-171.239.70000116F555F555-T557 PolarHBondContact O-N 3.07Å
558D52.5Low48.7Very low113 Ų113155.8 Ų155.860%0.60478%0.777SS**SBendtrans-1045.1-169-78.6-23.1000115.8Y553Y553-D558 PolarHBondContact OH-OD2 3.31Å
559F44.9Very low50Low200 Ų200153.4 Ų153.488%0.87777%0.771SS**  trans-136.3101.4174.5-78-81.3000113.7
560K43.6Very low50.7Low287 Ų287157.8 Ų157.8100%1.24878%0.782SS**  trans-140.50152.6-86.5-167.5175.2179.40109.6

Retrieved 560 of 560 residues in 1749.5 ms (Link to these results)

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