A0A077Z8H7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8H7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 504 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
1M55Low57.6Low245 Ų245126.5 Ų126.5100%1.20784%0.837SS**  01130-72.1-168.9167.600106
2D53.4Low57.3Low172 Ų172125 Ų12592%0.9283%0.83SS**  trans-66.9126.2-165.1-81.2-47000113.2G4D2-G4 PolarHBondContact O-N 3.35Å
3A57.8Low57.1Low100 Ų100131.9 Ų131.983%0.82683%0.831SS**  trans-84.894167.900000108.8S5A3-S5 PolarHBondContact O-N 3.28Å
4G55.7Low57.1Low75 Ų75130.8 Ų130.877%0.77382%0.816SS**  trans-76.5114.8173.600000111.6D2 G6D2-G4 PolarHBondContact O-N 3.35Å; G4-G6 PolarHBondContact O-N 3.47Å
5S62.4Low57.3Low125 Ų125129.5 Ų129.587%0.87480%0.801SS**  trans-63.2112.8172-60.30000111.7A3 S7A3-S5 PolarHBondContact O-N 3.28Å; S5-S7 PolarHBondContact O-N 3.45Å
6G60.4Low57.9Low75 Ų75125.9 Ų125.977%0.77379%0.788SS**  trans-80.7106.4168.100000110.9G4 T8G4-G6 PolarHBondContact O-N 3.47Å; G6-T8 PolarHBondContact O-N 3.43Å
7S61.4Low58.4Low110 Ų110127.2 Ų127.277%0.76978%0.78SS**  trans-70117.8171.3178.40000110.4S5 Q9S5-S7 PolarHBondContact O-N 3.45Å; S7-Q9 PolarHBondContact O-N 3Å
8T65.8Low59.5Low136 Ų136122.3 Ų122.383%0.83475%0.751SS**  trans-81.687.8169.242.70000109.4G6 S10G6-T8 PolarHBondContact O-N 3.43Å; T8-S10 PolarHBondContact O-N 2.83Å
9Q53.2Low60.4Low182 Ų182121.5 Ų121.585%0.8574%0.742SS**  trans-64.1105.4161.9-94.6-172.7-17.900108.4S7 G11S7-Q9 PolarHBondContact O-N 3Å; Q9-G11 PolarHBondContact O-N 3.23Å
10S53.2Low61.6Low117 Ų117120.1 Ų120.182%0.81873%0.733SS**  trans-64.5101.7166.8660000108.3T8 S12T8-S10 PolarHBondContact O-N 2.83Å; S10-S12 PolarHBondContact O-N 3.06Å; S10-S12 VanDerWaalsContact O-N 3.11Å
11G55.2Low62.9Low54 Ų54120.5 Ų120.556%0.55773%0.727SS**  trans-60.8112170.100000109.4Q9 Y13Q9-G11 PolarHBondContact O-N 3.23Å; G11-Y13 WeakPolarHBondContact O-CD2 3.32Å; G11-Y13 PolarHBondContact O-N 3.23Å
12S53.8Low64.3Low109 Ų109117 Ų11776%0.76270%0.7SS**  trans-62.2102.7165.2174.20000107.7S10 N14S10-S12 PolarHBondContact O-N 3.06Å; S10-S12 VanDerWaalsContact O-N 3.11Å; S12-N14 PolarHBondContact O-N 3.3Å
13Y54.8Low65.9Low215 Ų215111.4 Ų111.484%0.84368%0.677SS**  trans-64114.5170.4-70.6-88000107.7G11 L15G11-Y13 WeakPolarHBondContact O-CD2 3.32Å; G11-Y13 PolarHBondContact O-N 3.23Å; Y13-L15 PolarHBondContact O-N 2.75Å
14N57.1Low67.5Low116 Ų116111.2 Ų111.262%0.6266%0.662SS**  trans-64.495.1175.4-98.5-63.3000109.2S12 A16 K17S12-N14 PolarHBondContact O-N 3.3Å; N14-A16 PolarHBondContact O-N 3.4Å; N14-K17 PolarHBondContact O-N 3.34Å
15L60Low69.1Low111 Ų111113.3 Ų113.358%0.58165%0.653SS**Hα-helixtrans-52.9-27.8-179.3-142.480.2000113.2Y13 K17 S18 D19Y13-L15 PolarHBondContact O-N 2.75Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-OG 3Å; L15-D19 PolarHBondContact O-N 3.26Å
16A67.8Low70.5Confident72 Ų72109.8 Ų109.860%0.59563%0.632SS**Hα-helixtrans-66.8-25.9177.900000113.6N14N14-A16 PolarHBondContact O-N 3.4Å
17K66.1Low71.9Confident149 Ų149113 Ų11365%0.64863%0.627SS**Hα-helixtrans-74.7-32.7175.9-73.7-172.5177.1-175.90111.8N14 L15 E21N14-K17 PolarHBondContact O-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.43Å; K17-E21 WeakPolarHBondContact O-CG 3.45Å; K17-E21 PolarHBondContact O-N 2.77Å
18S77.6Confident73.4Confident38 Ų38113.5 Ų113.527%0.26662%0.621SS.*Hα-helixtrans-69.2-37.2179.2520000112.2L15 V20 E21 W22L15-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-OG 3Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-E21 PolarHBondContact O-N 2.92Å; S18-W22 WeakPolarHBondContact O-CB 3.33Å; S18-W22 PolarHBondContact O-N 3.31Å
19D77.5Confident74.6Confident108 Ų108114.5 Ų114.558%0.57861%0.61SS**Hα-helixtrans-65.5-38.2-177.5-71.2-7.3000112.6L15 W22 A23L15-D19 PolarHBondContact O-N 3.26Å; D19-W22 PolarHBondContact O-N 3.04Å; D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 3.17Å
20V83.9Confident76.4Confident92 Ų92110 Ų11056%0.55859%0.591SS**Hα-helixtrans-68-43.9175.2179.90000110.7S18 W22 A23 D24S18-V20 PolarHBondContact O-N 3.07Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.98Å; V20-A23 PolarHBondContact O-N 2.89Å; V20-D24 PolarHBondContact O-N 3.25Å
21E88.8Confident78.4Confident130 Ų130106 Ų10661%0.60757%0.567SS**Hα-helixtrans-63.4-37.2176-74180175.400112.2K17 S18 M25K17-E21 WeakPolarHBondContact O-CG 3.45Å; K17-E21 PolarHBondContact O-N 2.77Å; S18-E21 PolarHBondContact O-N 2.92Å; E21-M25 VanDerWaalsContact O-CB 3.28Å; E21-M25 WeakPolarHBondContact O-CB 3.28Å; E21-M25 PolarHBondContact O-N 3.49Å
22W84.1Confident80.1Confident172 Ų172106 Ų10665%0.65256%0.562SS**Hα-helixtrans-66.2-42.7174.5-85.9111.2000112.1S18 D19 V20 M25 A26S18-W22 WeakPolarHBondContact O-CB 3.33Å; S18-W22 PolarHBondContact O-N 3.31Å; D19-W22 PolarHBondContact O-N 3.04Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.98Å; W22-M25 PolarHBondContact O-N 2.77Å; W22-A26 WeakPolarHBondContact O-CB 3.47Å; W22-A26 PolarHBondContact O-N 3.27Å
23A87Confident81.8Confident53 Ų53106.7 Ų106.744%0.43855%0.548SS..Hα-helixtrans-62.9-45176.200000111.6D19 V20 M25 A26 Q27D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 3.17Å; V20-A23 PolarHBondContact O-N 2.89Å; A23-M25 PolarHBondContact O-N 3.29Å; A23-A26 PolarHBondContact O-N 3.41Å; A23-Q27 WeakPolarHBondContact O-CB 3.36Å; A23-Q27 PolarHBondContact O-N 3.4Å
24D90.9Very high83.5Confident96 Ų96102.6 Ų102.651%0.51354%0.537SS..Hα-helixtrans-64.2-40.2176.4-78.5-14.2000111.8V20 Q27 N28V20-D24 PolarHBondContact O-N 3.25Å; D24-Q27 PolarHBondContact O-N 3.47Å; D24-N28 WeakPolarHBondContact O-CB 3.4Å; D24-N28 VanDerWaalsContact O-CG 3.28Å; D24-N28 PolarHBondContact O-N 3.35Å; D24-N28 PolarHBondContact O-ND2 3.49Å
25M91.1Very high85.1Confident119 Ų119103.5 Ų103.559%0.58654%0.537SS*.Hα-helixtrans-64.7-42.6175.9-168.9-179.5-59.500111.9E21 W22 A23 Q27 N28 W29E21-M25 VanDerWaalsContact O-CB 3.28Å; E21-M25 WeakPolarHBondContact O-CB 3.28Å; E21-M25 PolarHBondContact O-N 3.49Å; W22-M25 PolarHBondContact O-N 2.77Å; A23-M25 PolarHBondContact O-N 3.29Å; M25-Q27 VanDerWaalsContact C-N 3.35Å; M25-N28 PolarHBondContact O-N 3.28Å; M25-W29 WeakPolarHBondContact O-CB 3.33Å; M25-W29 PolarHBondContact O-N 3.44Å
26A90Very high86.3Confident51 Ų51103.6 Ų103.642%0.42154%0.535SS..Hα-helixtrans-63.1-41.6175.700000111.6W22 A23 W29 I30W22-A26 WeakPolarHBondContact O-CB 3.47Å; W22-A26 PolarHBondContact O-N 3.27Å; A23-A26 PolarHBondContact O-N 3.41Å; A26-W29 PolarHBondContact O-N 2.98Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.48Å
27Q90.8Very high87.2Confident143 Ų143106.8 Ų106.867%0.66853%0.532SS*.Hα-helixtrans-68.5-40.1179-159.1136.3-1900112.1A23 D24 M25 W29 I30 G31A23-Q27 WeakPolarHBondContact O-CB 3.36Å; A23-Q27 PolarHBondContact O-N 3.4Å; D24-Q27 PolarHBondContact O-N 3.47Å; M25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-W29 VanDerWaalsContact C-N 3.34Å; Q27-I30 PolarHBondContact O-N 3.34Å; Q27-G31 PolarHBondContact O-N 3.41Å
28N93.5Very high88.1Confident120 Ų120103.6 Ų103.664%0.64253%0.534SS*.Hα-helixtrans-62.1-40.7171.8-76.6-24.5000111.9D24 M25 G31 A32D24-N28 WeakPolarHBondContact O-CB 3.4Å; D24-N28 VanDerWaalsContact O-CG 3.28Å; D24-N28 PolarHBondContact O-N 3.35Å; D24-N28 PolarHBondContact O-ND2 3.49Å; M25-N28 PolarHBondContact O-N 3.28Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-A32 WeakPolarHBondContact O-CB 3.35Å; N28-A32 PolarHBondContact O-N 3.29Å
29W90.4Very high88.4Confident158 Ų158109 Ų10960%0.59856%0.556SS**Hα-helixtrans-65.2-43.5176.6-17684.4000112.4M25 A26 Q27 G31 A32 R33M25-W29 WeakPolarHBondContact O-CB 3.33Å; M25-W29 PolarHBondContact O-N 3.44Å; A26-W29 PolarHBondContact O-N 2.98Å; Q27-W29 VanDerWaalsContact C-N 3.34Å; W29-G31 PolarHBondContact O-N 3.32Å; W29-A32 PolarHBondContact O-N 2.94Å; W29-R33 WeakPolarHBondContact O-CB 3.31Å; W29-R33 PolarHBondContact O-N 3.34Å
30I91.6Very high88.7Confident88 Ų88106.7 Ų106.745%0.45155%0.548SS..Hα-helixtrans-60.8-45.1174.5-67.7165.9000110.5A26 Q27 R33 Q34A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.48Å; Q27-I30 PolarHBondContact O-N 3.34Å; I30-R33 PolarHBondContact O-N 3.5Å; I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 2.81Å
31G93.8Very high88.5Confident31 Ų31107.8 Ų107.832%0.3255%0.551SS.*Hα-helixtrans-61-46.1177.100000113Q27 N28 W29 R33 Q34 Q35Q27-G31 PolarHBondContact O-N 3.41Å; N28-G31 PolarHBondContact O-N 2.97Å; W29-G31 PolarHBondContact O-N 3.32Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 2.9Å; G31-Q34 PolarHBondContact O-N 3.38Å; G31-Q35 WeakPolarHBondContact O-CG 3.4Å; G31-Q35 PolarHBondContact O-N 3.33Å
32A91.8Very high87.2Confident56 Ų56107.4 Ų107.446%0.46356%0.56SS.*Hα-helixtrans-62.3-40176.800000112N28 W29 Q35 H36N28-A32 WeakPolarHBondContact O-CB 3.35Å; N28-A32 PolarHBondContact O-N 3.29Å; W29-A32 PolarHBondContact O-N 2.94Å; A32-Q35 PolarHBondContact O-N 3.28Å; A32-H36 PolarHBondContact O-N 3.44Å
33R89.2Confident85.8Confident123 Ų123102.3 Ų102.346%0.46455%0.554SS.*Hα-helixtrans-67.9-40177.7-167.6175.2179.5-173.7-3.1112.3W29 I30 G31 H36 Y37W29-R33 WeakPolarHBondContact O-CB 3.31Å; W29-R33 PolarHBondContact O-N 3.34Å; I30-R33 PolarHBondContact O-N 3.5Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 2.9Å; R33-H36 WeakPolarHBondContact O-CB 3.41Å; R33-H36 PolarHBondContact O-N 3.45Å; R33-Y37 HydrophobicContact CG-CD2 4.04Å; R33-Y37 HydrophobicContact CG-CE2 3.75Å; R33-Y37 PolarHBondContact NH2-OH 2.9Å; R33-Y37 WeakPolarHBondContact O-CD2 3.48Å; R33-Y37 PolarHBondContact O-N 3.45Å
34Q91Very high84.1Confident129 Ų129109 Ų10960%0.60357%0.574SS**Hα-helixtrans-64-40.4173.8-73.4178.68.500111.9I30 G31 H36 Y37 A38I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 2.81Å; G31-Q34 PolarHBondContact O-N 3.38Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; Q34-Y37 PolarHBondContact O-N 3.39Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 2.86Å
35Q90Very high82.7Confident134 Ų134109.6 Ų109.663%0.62658%0.583SS**Hα-helixtrans-61.7-42.1172.4-74.1-176.5-10.900111.7G31 A32 A38 M39G31-Q35 WeakPolarHBondContact O-CG 3.4Å; G31-Q35 PolarHBondContact O-N 3.33Å; A32-Q35 PolarHBondContact O-N 3.28Å; Q35-A38 PolarHBondContact O-N 3.44Å; Q35-M39 WeakPolarHBondContact O-CG 3.44Å; Q35-M39 PolarHBondContact O-N 2.96Å
36H86.2Confident81.1Confident114 Ų114110 Ų11053%0.52860%0.595SS.*Hα-helixtrans-61.3-44.8175.9-168.8-80.3000111.7A32 R33 Q34 M39 S40A32-H36 PolarHBondContact O-N 3.44Å; R33-H36 WeakPolarHBondContact O-CB 3.41Å; R33-H36 PolarHBondContact O-N 3.45Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; H36-M39 PolarHBondContact O-N 3.41Å; H36-S40 PolarHBondContact CE1-OG 2.9Å; H36-S40 PolarHBondContact ND1-OG 2.89Å; H36-S40 VanDerWaalsContact ND1-OG 3.14Å; H36-S40 VanDerWaalsContact O-CB 3.24Å; H36-S40 WeakPolarHBondContact O-CB 3.39Å; H36-S40 PolarHBondContact O-N 3.31Å; H36-S40 PolarHBondContact O-OG 2.79Å
37Y84.8Confident79.4Confident139 Ų139113 Ų11355%0.54561%0.613SS.*Hα-helixtrans-61.8-42.6174.3-80.1-66.4000112.3R33 Q34 M39 S40 D41R33-Y37 HydrophobicContact CG-CD2 4.04Å; R33-Y37 HydrophobicContact CG-CE2 3.75Å; R33-Y37 PolarHBondContact NH2-OH 2.9Å; R33-Y37 WeakPolarHBondContact O-CD2 3.48Å; R33-Y37 PolarHBondContact O-N 3.45Å; Q34-Y37 PolarHBondContact O-N 3.39Å; Y37-M39 VanDerWaalsContact C-N 3.27Å; Y37-M39 PolarHBondContact O-N 2.95Å; Y37-S40 PolarHBondContact O-N 2.93Å; Y37-D41 PolarHBondContact O-N 3.37Å
38A85.7Confident77.4Confident82 Ų82111.6 Ų111.668%0.67862%0.618SS**Hα-helixtrans-64.1-30.117700000113.3Q34 Q35Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 2.86Å; Q35-A38 PolarHBondContact O-N 3.44Å
39M84.4Confident75.4Confident151 Ų151116 Ų11674%0.74463%0.628SS**Hα-helixtrans-83.6-26174.5-68.6-172.6-57.600113.3Q35 H36 Y37Q35-M39 WeakPolarHBondContact O-CG 3.44Å; Q35-M39 PolarHBondContact O-N 2.96Å; H36-M39 PolarHBondContact O-N 3.41Å; Y37-M39 VanDerWaalsContact C-N 3.27Å; Y37-M39 PolarHBondContact O-N 2.95Å
40S84.6Confident73.5Confident59 Ų59111.7 Ų111.741%0.41363%0.632SS.*Hα-helixtrans-93-10.9-175.6-520000113.3H36 Y37 P42H36-S40 PolarHBondContact CE1-OG 2.9Å; H36-S40 PolarHBondContact ND1-OG 2.89Å; H36-S40 VanDerWaalsContact ND1-OG 3.14Å; H36-S40 VanDerWaalsContact O-CB 3.24Å; H36-S40 WeakPolarHBondContact O-CB 3.39Å; H36-S40 PolarHBondContact O-N 3.31Å; H36-S40 PolarHBondContact O-OG 2.79Å; Y37-S40 PolarHBondContact O-N 2.93Å; S40-P42 WeakPolarHBondContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CG 3.5Å
41D77.8Confident71.6Confident115 Ų115115.6 Ų115.662%0.61565%0.649SS**  trans-67.4108.4178.6-161.6-11.4000109.8Y37 A43Y37-D41 PolarHBondContact O-N 3.37Å; D41-A43 PolarHBondContact O-N 3.39Å; D41-A43 VanDerWaalsContact O-N 3.07Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å
42P62.1Low69.8Low123 Ų123119.8 Ų119.880%0.79967%0.673SS**  trans-76.710-174.1-8.526.8000113.4S40 F44S40-P42 WeakPolarHBondContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CG 3.5Å; P42-F44 PolarHBondContact O-N 2.94Å
43A54.9Low67.3Low64 Ų64128.3 Ų128.353%0.52969%0.693SS.*  trans-86.462.6-166.700000113.9D41D41-A43 PolarHBondContact O-N 3.39Å; D41-A43 VanDerWaalsContact O-N 3.07Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å
44F50.5Low65.3Low195 Ų195129.3 Ų129.386%0.85571%0.713SS**  trans-160100.9150-97.4-73.4000110.2P42P42-F44 PolarHBondContact O-N 2.94Å
45P62.6Low63.1Low108 Ų108128.6 Ų128.670%0.70172%0.722SS**  trans-66.2138.3160.328.4-31.1000108.4S47P45-S47 PolarHBondContact O-N 2.99Å
46P58.2Low61Low127 Ų127128.8 Ų128.883%0.82573%0.733SS**  trans-62.3110.8174.324.5-31.5000109.1S48P46-S48 VanDerWaalsContact C-N 3.3Å; P46-S48 PolarHBondContact O-N 3.45Å
47S52.5Low58.9Low114 Ų114128.2 Ų128.280%0.79774%0.741SS**  trans-71.186.6173.5730000109.5P45 Y49P45-S47 PolarHBondContact O-N 2.99Å; S47-Y49 VanDerWaalsContact C-N 3.32Å; S47-Y49 PolarHBondContact O-N 3.34Å
48S50.5Low57.2Low113 Ų113127 Ų12779%0.7975%0.753SS**  trans-88.173.5165.7177.50000109.4P46 G50P46-S48 VanDerWaalsContact C-N 3.3Å; P46-S48 PolarHBondContact O-N 3.45Å; S48-G50 PolarHBondContact O-N 3.5Å
49Y50.5Low55.2Low213 Ų213132.7 Ų132.784%0.83576%0.763SS**  trans-90.586.4160.8-106-83.3000108.1S47S47-Y49 VanDerWaalsContact C-N 3.32Å; S47-Y49 PolarHBondContact O-N 3.34Å
50G50.3Low53.6Low68 Ų68130.8 Ų130.870%0.70176%0.762SS**  trans-124.781168.900000108.2S48S48-G50 PolarHBondContact O-N 3.5Å
51E51.6Low51.8Low169 Ų169137.6 Ų137.679%0.7978%0.778SS**  trans-115.983-177.5-156.1153.6-164.200109.8
52S56.3Low50Low119 Ų119139.4 Ų139.483%0.83279%0.786SS**  trans-99.4112.1161.242.50000108.3
53R40.1Very low49.2Very low236 Ų236142.5 Ų142.589%0.89178%0.784SS**  trans-58.7136.7179.7-64.6176.5166.6-158.5-4.6112.4
54T47.3Very low48.4Very low144 Ų144146.2 Ų146.288%0.88380%0.795SS**  trans-154.9130.8131.313.70000110.2
55S44.3Very low48Very low113 Ų113142.1 Ų142.179%0.7979%0.79SS**  trans-56144.2179.1-29.60000112.4
56V45.9Very low47Very low139 Ų139143 Ų14384%0.84279%0.793SS**  -175.8138.6122170.90000108.8
57S43.3Very low46.1Very low101 Ų101141.7 Ų141.771%0.70679%0.787SS**  trans-53.3142179.658.90000116.2
58S47.3Very low45.5Very low115 Ų115143.4 Ų143.480%0.80479%0.787SS**  166.5122.7105.943.80000110.3
59F44.9Very low45.2Very low201 Ų201144 Ų14488%0.88279%0.786SS**  trans-55.1160.2166.2-83.6-77.9000111
60P50.4Low44.9Very low110 Ų110139.9 Ų139.971%0.71478%0.777SS**  -160176.355.842-18.9000120.5
61R46.7Very low44.5Very low202 Ų202142.3 Ų142.376%0.76278%0.783SS**  trans87.3102.3145.5-89.4169.9-168.7-169.43.4120.1Y63R61-Y63 HydrophobicContact CG-CE2 4.49Å
62I40.8Very low44.2Very low153 Ų153144.1 Ų144.179%0.78578%0.784SS**  trans-60.3132.4150.7-59.1163.7000109.4
63Y44.9Very low43.6Very low189 Ų189143.6 Ų143.674%0.74178%0.781SS**  trans-135.4116.3150.9-89.6-81.8000109.1R61R61-Y63 HydrophobicContact CG-CE2 4.49Å
64N38.5Very low43.9Very low142 Ų142143 Ų14376%0.75978%0.78SS**  trans-93.8145.4161.2-95.2-20.7000108.1
65S40.6Very low43.8Very low109 Ų109141.1 Ų141.176%0.76277%0.773SS**  trans61.2143.3176.276.40000114.9
66V41.3Very low44.4Very low125 Ų125141.8 Ų141.876%0.75877%0.774SS**  -159151.950.9-172.30000108.6
67S40.7Very low44.7Very low100 Ų100141.9 Ų141.970%0.69978%0.776SS**  trans-34.4133.3158.4-39.10000114.1
68D39.6Very low45Very low150 Ų150147.3 Ų147.380%0.80279%0.786SS**  165.5147124.8-88.5-20.4000112.4
69V43.4Very low45Very low126 Ų126145.4 Ų145.476%0.76479%0.785SS**  trans71.2113.5160.1-142.70000117.5
70I45.1Very low45.1Very low127 Ų127141.6 Ų141.665%0.65178%0.783SS**  171.8107102.3-76.1158000107.8Y72I70-Y72 HydrophobicContact CG2-CD2 3.53Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å
71S41.2Very low44.9Very low119 Ų119141.5 Ų141.583%0.83279%0.786SS**  trans-68.6121.8162.6-520000109.4
72Y46.1Very low45Very low206 Ų206142.7 Ų142.781%0.80879%0.791SS**  trans-105.9107.3165.6-100.6-82.6000109.6I70I70-Y72 HydrophobicContact CG2-CD2 3.53Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å
73S42.7Very low45.2Very low109 Ų109140.7 Ų140.776%0.76279%0.791SS**  trans-83112.9169-35.90000109
74Y46.9Very low45.3Very low224 Ų224135.2 Ų135.288%0.87879%0.793SS**PPolyproline II helixtrans-77.2119.1167.8-111.3-96.5000109.5
75S44.4Very low45.6Very low103 Ų103131.9 Ų131.972%0.7279%0.791SS**PPolyproline II helixtrans-90.2134.2168.7-650000109.8
76P58.7Low46Very low127 Ų127133.5 Ų133.583%0.82580%0.796SS**PPolyproline II helixtrans-84.3128.7173.231.5-28.5000110.8
77T51.8Low46.5Very low142 Ų142132.9 Ų132.987%0.87180%0.795SS**PPolyproline II helixtrans-72.1133.1177.121.40000112.1
78K48.8Very low46.9Very low214 Ų214137.3 Ų137.393%0.9381%0.807SS**PPolyproline II helixtrans-56.9145.1169.3-74.9175.2172.5175.90112.2
79G47Very low47.2Very low76 Ų76133.9 Ų133.978%0.78481%0.807SS**  trans155.7102.6149.800000114.1
80S47.8Very low47.3Very low120 Ų120132.5 Ų132.584%0.83981%0.808SS**  151.4104.2128.4-168.60000111
81S45.4Very low47.2Very low109 Ų109131.9 Ų131.976%0.76282%0.815SS**  trans-67.5135.4166-19.60000110.1
82Y48.7Very low47.2Very low226 Ų226131.1 Ų131.189%0.88681%0.81SS**  trans-163.5107140.9-110.4-82.2000109.5
83S46.3Very low47.1Very low111 Ų111128.2 Ų128.278%0.77681%0.808SS**  trans33.3117.3132157.40000119.8
84G47.1Very low47.1Very low75 Ų75133.6 Ų133.677%0.77381%0.813SS**  101.9104.5117.800000118.5
85G43.6Very low47.1Very low71 Ų71127.6 Ų127.673%0.73281%0.809SS**  88.9109.4122.900000120.3
86V48.6Very low47Very low143 Ų143125.8 Ų125.887%0.86781%0.807SS**  trans79.3124.5141.2-163.50000118.9
87P52Low46.3Very low112 Ų112129 Ų12973%0.72781%0.811SS**  trans-103.2173.8173.839.7-31000113.4
88M48.8Very low45.8Very low194 Ų194127.8 Ų127.896%0.95681%0.808SS**  trans99114.6168.1-68.4-89-13200116.8
89G45.9Very low45.7Very low78 Ų78122 Ų12280%0.80480%0.8SS**  trans171.597.7166.400000111.2
90A46Very low45.8Very low96 Ų96126.6 Ų126.679%0.79381%0.806SS**  trans-71.7171.8177.700000113.3
91S43.7Very low46Very low114 Ų114129.2 Ų129.280%0.79781%0.809SS**  trans103.1103.1167.8-40.80000113.1
92S41Very low46.9Very low103 Ų103129.7 Ų129.772%0.7281%0.81SS**  67.2110.579.7-167.10000113.1
93L43.8Very low47.3Very low145 Ų145125.2 Ų125.276%0.75981%0.806SS**  147.8133127.4-76.6175.7000112.3
94Y43.7Very low48.2Very low223 Ų223125.5 Ų125.588%0.87581%0.805SS**  trans84.6142.9143.3-102-103.3000122.3
95A45.8Very low49.2Very low97 Ų97127.8 Ų127.880%0.80281%0.807SS**  trans74.7111.5171.400000114.8
96G43.4Very low49.8Very low65 Ų65130.2 Ų130.267%0.6781%0.809SS**  cis105.193.835.800000108.1
97H43.4Very low50Low196 Ų196135 Ų13591%0.90781%0.812SS**  trans-161.8120.4156.1-98.3-58.6000110.8
98S41.9Very low49.9Very low116 Ų116138.5 Ų138.581%0.81182%0.821SS**  trans-98161.2165.1-54.40000109.6
99A46.2Very low50.2Low92 Ų92135.7 Ų135.776%0.7681%0.814SS**  trans87.7112.917400000114.9
100L48.9Very low50.3Low173 Ų173139 Ų13991%0.90681%0.813SS**  -173.6100.3116.1-87.4177.9000107.9
101L51.6Low50.5Low174 Ų174140.6 Ų140.691%0.91182%0.818SS**PPolyproline II helixtrans-84.3138.4163.8-84.7162.7000108.9
102P65.3Low50.8Low119 Ų119141.3 Ų141.377%0.77382%0.817SS**PPolyproline II helixtrans-95127.1156.912.26.1000110.9
103T56Low51.5Low132 Ų132147.2 Ų147.281%0.8182%0.823SS**PPolyproline II helixtrans-50.6144.6171.331.40000115.6
104P65.6Low52.5Low117 Ų117146.2 Ų146.276%0.7683%0.826SS**PPolyproline II helixtrans-81.9149.8164.232.7-31.3000112.3
105P67.8Low53.2Low124 Ų124142.3 Ų142.381%0.80582%0.824SS**PPolyproline II helixtrans-77.2166-177.732.3-34000113.4
106P56.5Low54.1Low121 Ų121146.6 Ų146.679%0.78683%0.825SS**PPolyproline II helixtrans-83.5150.2-15032.3-34.6000115.3M108P106-M108 PolarHBondContact O-N 3.33Å
107R51.7Low55.2Low245 Ų245149 Ų14993%0.92583%0.829SS**PPolyproline II helixtrans-52.5124.3169.8-78175.6164.2153.2-4.4112.1
108M51.7Low56.3Low185 Ų185145.7 Ų145.791%0.91183%0.825SS**PPolyproline II helixtrans-73.2139.4160.4-79.2179.257.600110.7P106P106-M108 PolarHBondContact O-N 3.33Å
109V54Low57Low134 Ų134151.4 Ų151.481%0.81283%0.83SS**PPolyproline II helixtrans-82.6137.4-171.2-166.10000110.3C111V109-C111 PolarHBondContact O-N 3.4Å
110N48.2Very low57.5Low147 Ų147155.4 Ų155.479%0.78683%0.833SS**PPolyproline II helixtrans-52.7120.6171.7-91.1-20.9000112.7V112N110-V112 HydrophobicContact CB-CG2 4.49Å; N110-V112 PolarHBondContact O-N 2.97Å
111C49.3Very low57.6Low131 Ų131152.9 Ų152.989%0.88583%0.83SS**  trans-89.792.8158.9-70.80000109.1V109 R113V109-C111 PolarHBondContact O-N 3.4Å; C111-R113 PolarHBondContact O-N 2.96Å
112V50.8Low57.5Low128 Ų128150.5 Ų150.578%0.77683%0.826SS**  trans-70.9115167.8175.70000108.4N110N110-V112 HydrophobicContact CB-CG2 4.49Å; N110-V112 PolarHBondContact O-N 2.97Å
113R56.4Low56.6Low228 Ų228153.1 Ų153.186%0.8683%0.83SS**PPolyproline II helixtrans-74141168-96.9-176.7177.9172.90.5110.3C111C111-R113 PolarHBondContact O-N 2.96Å
114P64.1Low56.4Low124 Ų124153.4 Ų153.481%0.80583%0.832SS**PPolyproline II helixtrans-74.7134.1174.718.2-11.3000111.6
115V59.1Low55.4Low140 Ų140153.8 Ų153.885%0.84884%0.835SS**PPolyproline II helixtrans-72.4127.4170.31740000109.1
116K63.8Low54.8Low188 Ų188151.6 Ų151.682%0.81784%0.835SS**PPolyproline II helixtrans-69.4140.7167.6-92.6178.8173.71760110
117P67.2Low54.4Low115 Ų115153.5 Ų153.575%0.74784%0.836SS**PPolyproline II helixtrans-72.7148.6173.831-32.9000111.2
118P66.7Low54.2Low127 Ų127146.8 Ų146.883%0.82583%0.825SS**PPolyproline II helixtrans-76.1139.217431-30.8000110.7
119Y55.8Low53.9Low236 Ų236143.8 Ų143.893%0.92582%0.817SS**PPolyproline II helixtrans-68139.8175.6-159.2-97.4000110.5
120E56.6Low53.7Low176 Ų176143.5 Ų143.582%0.82282%0.815SS**PPolyproline II helixtrans-66.4148.5-177.3-70.9-170.6153.800113.4
121S52.1Low53.7Low120 Ų120141.8 Ų141.884%0.83981%0.812SS**  trans-91.8114.5173.9-168.80000109.1
122C49.2Very low53.7Low124 Ų124141.4 Ų141.484%0.83881%0.806SS**  trans-88.4124.3168.244.30000110.2
123M45.2Very low54.1Low174 Ų174141.1 Ų141.186%0.85781%0.806SS**  trans-60.7146.4174.5-61.2-157.415500112.4
124T51.7Low53.5Low138 Ų138135 Ų13585%0.84780%0.799SS**  -168.3126.5125.6-43.90000109.6
125P46.2Very low52.7Low125 Ų125140.9 Ų140.981%0.81281%0.805SS**  trans-98.2135.416833.7-24.8000111.4
126G55.5Low51.9Low78 Ų78139.8 Ų139.880%0.80480%0.802SS**  trans-154.9109.1172.700000111.8
127I46.7Very low51.6Low160 Ų160139.4 Ų139.482%0.82181%0.808SS**  trans-120.3142.2168.5-61.5176.7000102.7
128P48.6Very low50.6Low105 Ų105139.3 Ų139.368%0.68281%0.81SS**  -159.5157.264.145.2-22.6000121.7
129T44.5Very low49.4Very low121 Ų121138.8 Ų138.874%0.74281%0.809SS**  trans74.8148.7134.643.30000124.7
130V50.8Low48.9Very low128 Ų128139.2 Ų139.278%0.77681%0.809SS**  trans93147.3152.8-1390000117.6
131P48.4Very low48.4Very low112 Ų112140 Ų14073%0.72782%0.815SS**  -126.6172-77.739.3-22.4000114.2
132V48.2Very low48.1Very low123 Ų123138.4 Ų138.475%0.74581%0.809SS**  trans-67.7158176.2178.60000112.9
133P60.4Low47.8Very low122 Ų122144.1 Ų144.179%0.79281%0.813SS**  trans-131129.8130.535-23.4000113.5
134S42.2Very low47.9Very low100 Ų100143.6 Ų143.670%0.69981%0.813SS**  trans-65.6137.5174.2-19.70000111.1
135R47.9Very low47.5Very low246 Ų246143.4 Ų143.493%0.92881%0.812SS**  trans-137.5109.4154-78.9-164.9179-170.10.3110.5
136C42.1Very low47.6Very low117 Ų117145.3 Ų145.379%0.79181%0.812SS**  trans-59.8134.7165.5-46.70000110.5
137L57.4Low47.3Very low181 Ų181146.7 Ų146.795%0.94881%0.806SS**  trans-145.6139.4147.2-79.4-177000109.7
138S47.3Very low47.1Very low112 Ų112146 Ų14678%0.78381%0.81SS**  trans-88.6160.5-150.4-167.80000115.4
139S40.9Very low46.9Very low116 Ų116147 Ų14781%0.81181%0.814SS**  trans-25.1125.1164.5-56.10000117.8
140R45.4Very low47Very low246 Ų246146.4 Ų146.493%0.92882%0.815SS**  trans-148.288.2152.7-146.1176.6-170.5-172.62.6110.4A142R140-A142 PolarHBondContact O-N 2.95Å
141M46.5Very low46.8Very low191 Ų191150.8 Ų150.894%0.94182%0.819SS**  trans-68.8123.1165.9-75.5-170.1-178.500109.3R143M141-R143 PolarHBondContact O-N 2.92Å
142A45.1Very low47.6Very low87 Ų87150.8 Ų150.872%0.71982%0.82SS**  trans-71.2117.3168.900000109.1R140 L144R140-A142 PolarHBondContact O-N 2.95Å; A142-L144 PolarHBondContact O-N 3.38Å; A142-L144 VanDerWaalsContact O-N 3.1Å
143R43.3Very low48.2Very low245 Ų245150.3 Ų150.393%0.92582%0.819SS**  trans-60.6105.5166.2-77.1172.4132.6177.7-3.8108.7M141M141-R143 PolarHBondContact O-N 2.92Å
144L45.8Very low48.1Very low163 Ų163150.4 Ų150.485%0.85382%0.819SS**  trans-92.2107.7163.3-74.7171.4000108.4A142A142-L144 PolarHBondContact O-N 3.38Å; A142-L144 VanDerWaalsContact O-N 3.1Å
145T45.1Very low48.9Very low133 Ų133151.3 Ų151.382%0.81682%0.82SS**PPolyproline II helixtrans-63.6125.4169.534.70000110.7
146M47.5Very low48.7Very low166 Ų166150.7 Ų150.782%0.81882%0.818SS**PPolyproline II helixtrans-74.2140.1169.4-72.2-70.7-7400110.7T148M146-T148 PolarHBondContact O-N 2.96Å
147P49.5Very low48.8Very low106 Ų106154.4 Ų154.469%0.68882%0.821SS**PPolyproline II helixtrans-76.8123.717530-30.5000110.7T149P147-T149 PolarHBondContact O-N 3.34Å
148T42.8Very low48.1Very low146 Ų146151 Ų15190%0.89681%0.813SS**  trans-60.8112.2167.941.20000110.1M146M146-T148 PolarHBondContact O-N 2.96Å
149T43.4Very low48.3Very low126 Ų126155 Ų15577%0.77382%0.821SS**  trans-97114.3169.5-17.60000108.8P147P147-T149 PolarHBondContact O-N 3.34Å
150S46.8Very low48.3Very low109 Ų109157.5 Ų157.576%0.76282%0.82SS**PPolyproline II helixtrans-70.3125.8-179.350.20000111.6
151Y46.6Very low48.7Very low219 Ų219153.5 Ų153.586%0.85982%0.817SS**PPolyproline II helixtrans-64.4131.6167.6-82.4-94.9000111.1
152P66.1Low48.4Very low113 Ų113155.6 Ų155.673%0.73482%0.816SS**PPolyproline II helixtrans-77.7150.9164.631.9-30.6000110.6
153P60.4Low48.6Very low112 Ų112154.6 Ų154.673%0.72782%0.815SS**PPolyproline II helixtrans-76.2156.7-173.532.3-34.8000112.3V155P153-V155 PolarHBondContact O-N 3.26Å
154P58.2Low49.1Very low124 Ų124149.3 Ų149.381%0.80581%0.812SS**PPolyproline II helixtrans-72.8124.8178.629.6-31.5000110.6R156P154-R156 PolarHBondContact O-N 2.93Å
155V59.8Low49.2Very low119 Ų119148 Ų14872%0.72181%0.81SS**PPolyproline II helixtrans-65.2118.5171.9175.50000109P153 F157P153-V155 PolarHBondContact O-N 3.26Å; V155-F157 HydrophobicContact CG1-CE2 4.17Å
156R42.7Very low50.3Low234 Ų234147.1 Ų147.188%0.88381%0.807SS**PPolyproline II helixtrans-73127.5170.8-69.7-173.7170.4-175.7-2.7109.5P154P154-R156 PolarHBondContact O-N 2.93Å
157F44.8Very low50.7Low194 Ų194145.2 Ų145.285%0.85181%0.807SS**  trans-98.7115.9159.6-79.9-81.8000109.3V155V155-F157 HydrophobicContact CG1-CE2 4.17Å
158S42.7Very low50.5Low111 Ų111143.8 Ų143.878%0.77681%0.811SS**  trans-71.3131.8166.1-67.30000109.6
159M50.5Low51.3Low194 Ų194143.2 Ų143.296%0.95681%0.81SS**  trans-127.980.5163.9-138.5173.194.600108.3
160E42.1Very low51.4Low169 Ų169145.5 Ų145.579%0.7981%0.812SS**  trans-85120.2157.1-71.2177.9151.100107.1
161N53.4Low51.6Low163 Ų163146.6 Ų146.687%0.87281%0.814SS**  trans-172.5133.8133.9-96.6-31.1000112.2
162Y39.7Very low51.4Low235 Ų235141.2 Ų141.292%0.92280%0.804SS**  trans-81155-169-80.5-105.4000114.2
163G49.8Very low50.3Low66 Ų66143.1 Ų143.168%0.6880%0.804SS**  trans-168.6140.4157.400000111.8
164P53.1Low49.3Very low133 Ų133148 Ų14886%0.86481%0.808SS**  trans-94.9157-148.936.7-35000116.7
165V49.4Very low48.5Very low136 Ų136147.8 Ų147.882%0.82480%0.804SS**  trans-95146.2175.7174.20000111.2
166P67.2Low48Very low115 Ų115147.5 Ų147.575%0.74780%0.804SS**  trans-107.3161.8159.136.2-25.9000113.5
167P56Low48Very low125 Ų125140.5 Ų140.581%0.81280%0.797SS**  trans-112.2148.2-146.738-28.2000117
168G45.6Very low48Very low76 Ų76137.1 Ų137.178%0.78479%0.792SS**  trans67.8168.3142.600000119.7
169P59.1Low48.1Very low134 Ų134139.6 Ų139.687%0.8780%0.795SS**  cis-131.5168.825.237.5-18.9000117.1
170Q45.5Very low47.7Very low175 Ų175133.5 Ų133.582%0.81878%0.782SS**  trans-83.6160.4-179-57.1-178.9-3.300113.3
171T50.2Low47.8Very low132 Ų132131.7 Ų131.781%0.8179%0.788SS**  -163.5111.2124.627.60000109.6
172T43.8Very low46.9Very low105 Ų105128.5 Ų128.564%0.64479%0.785SS**  59.2126.296.8-0.40000113.3
173Q43.1Very low47Very low154 Ų154122.6 Ų122.672%0.7277%0.773SS**  -179140.751.7-106.6-162.30.300114
174W38.9Very low46.6Very low215 Ų215131 Ų13181%0.81478%0.784SS**  trans73.8129.2145.4-58101.7000126.3
175T40.9Very low46Very low119 Ų119134.1 Ų134.173%0.7378%0.78SS**  trans-92.7-161.5-178.118.50000112.4
176P49.3Very low46.1Very low112 Ų112133.1 Ų133.173%0.72778%0.776SS**  -133-177.1-61.738.9-21.6000111.6
177A43Very low44.8Very low87 Ų87133.7 Ų133.772%0.71978%0.778SS**  152.6154.1120.700000115
178V45Very low43.8Very low123 Ų123136.5 Ų136.575%0.74578%0.78SS**  trans10394.7148.1-176.10000118.2
179L44.6Very low43.4Very low164 Ų164138.5 Ų138.586%0.85978%0.781SS**  68.3113128.6-82.7116.5000121.3
180G41.4Very low42.4Very low66 Ų66139.5 Ų139.568%0.6878%0.779SS**  115.399.4105.700000116.3
181S44.9Very low42.3Very low130 Ų130137.1 Ų137.191%0.90978%0.776SS**  169.2131.2113.837.90000110.9
182A34.7Very low42Very low97 Ų97137.3 Ų137.380%0.80277%0.768SS**  trans-83.1130.8-171.800000111.6
183V41.9Very low42.6Very low111 Ų111137.4 Ų137.467%0.67377%0.77SS**  trans-131.7103.7151.6-178.50000107Y185V183-Y185 HydrophobicContact CB-CE2 4.4Å; V183-Y185 HydrophobicContact CG1-CD2 3.95Å; V183-Y185 HydrophobicContact CG1-CE2 3.49Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V183-Y185 PolarHBondContact O-N 3.14Å
184R41.1Very low42.6Very low242 Ų242141.7 Ų141.791%0.91378%0.78SS**  trans-67.9119.7169-83.7-178.6165.5-178.7-4108.3
185Y40.4Very low43Very low198 Ų198136.8 Ų136.878%0.77678%0.777SS**  trans-102.8136.3158.9-78.6-84.9000109.2V183 T187V183-Y185 HydrophobicContact CB-CE2 4.4Å; V183-Y185 HydrophobicContact CG1-CD2 3.95Å; V183-Y185 HydrophobicContact CG1-CE2 3.49Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V183-Y185 PolarHBondContact O-N 3.14Å; Y185-T187 PolarHBondContact O-N 2.87Å
186P51.5Low43.5Very low116 Ų116136.5 Ų136.575%0.75378%0.777SS**  trans-71.7111178.428.5-30.3000109.5Q188P186-Q188 PolarHBondContact O-N 3.19Å
187T39Very low43.1Very low127 Ų127140.5 Ų140.578%0.77979%0.786SS**  trans-59.3121.5151.8390000108.3Y185Y185-T187 PolarHBondContact O-N 2.87Å
188Q36.7Very low43.3Very low183 Ų183142.8 Ų142.886%0.85579%0.791SS**  trans12986.9163.6-70.5177.824.600112.2P186P186-Q188 PolarHBondContact O-N 3.19Å
189C37.1Very low43.4Very low118 Ų118140.7 Ų140.780%0.79779%0.787SS**  trans-120.189.7151.1-61.40000106.6V191C189-V191 HydrophobicContact CB-CG2 4.41Å; C189-V191 PolarHBondContact O-N 3.26Å; C189-V191 VanDerWaalsContact O-N 3.16Å
190N36.8Very low43Very low156 Ų156137.8 Ų137.883%0.83479%0.786SS**  trans-73.593.1166.6-166.217.8000106.6E192N190-E192 PolarHBondContact O-N 2.93Å
191V43.7Very low43.2Very low124 Ų124146 Ų14675%0.75280%0.797SS**  trans-87.189174.6-176.90000106.8C189 P193C189-V191 HydrophobicContact CB-CG2 4.41Å; C189-V191 PolarHBondContact O-N 3.26Å; C189-V191 VanDerWaalsContact O-N 3.16Å; V191-P193 WeakPolarHBondContact O-CD 3.36Å
192E44.8Very low43.5Very low137 Ų137144.5 Ų144.564%0.6478%0.784SS**  trans-70118.7168.9-159.4-178.6-147.700107.9N190 W194N190-E192 PolarHBondContact O-N 2.93Å; E192-W194 PolarHBondContact O-N 3.35Å
193P56.7Low44Very low106 Ų106146.1 Ų146.169%0.68879%0.786SS**  trans-72.7114.3173.326.9-27.1000108.4V191 C195V191-P193 WeakPolarHBondContact O-CD 3.36Å; P193-C195 PolarHBondContact O-N 3.27Å
194W42Very low44Very low244 Ų244146.5 Ų146.592%0.92479%0.789SS**  trans-61.996165.8-9150.4000109.4E192E192-W194 PolarHBondContact O-N 3.35Å
195C46.9Very low44.2Very low113 Ų113140.8 Ų140.876%0.76478%0.781SS**  trans-83.6126.6161.8-81.10000109.2P193P193-C195 PolarHBondContact O-N 3.27Å
196P52.5Low44.1Very low113 Ų113139.2 Ų139.273%0.73479%0.786SS**  trans-68.4141.6171.828.2-30.8000110.3V198P196-V198 PolarHBondContact O-N 2.65Å
197Q39.8Very low43.7Very low196 Ų196140.7 Ų140.792%0.91678%0.782SS**  trans-58.9103.9176.3-79.3-179.4-26.500110.8
198V47Very low43.7Very low134 Ų134143.9 Ų143.981%0.81279%0.786SS**PPolyproline II helixtrans-79120.8164.1-178.10000107.7P196P196-V198 PolarHBondContact O-N 2.65Å
199A48.5Very low44.3Very low80 Ų80142.4 Ų142.466%0.66178%0.784SS**PPolyproline II helixtrans-48.1138178.300000112.3W201A199-W201 PolarHBondContact O-N 3.15Å
200A36.5Very low44.7Very low102 Ų102146.7 Ų146.784%0.84378%0.783SS**PPolyproline II helixtrans-50.9120.5-179.900000112.8
201W44.7Very low45.2Very low239 Ų239146.6 Ų146.691%0.90578%0.778SS**  trans-106.8137.3159.5-81.562.5000108.9A199A199-W201 PolarHBondContact O-N 3.15Å
202P52.2Low45.5Very low98 Ų98147.3 Ų147.364%0.63678%0.777SS**  trans-72.8152.8-172.929.9-33.9000112.1T204P202-T204 PolarHBondContact O-N 3.48Å
203P43.7Very low45.7Very low131 Ų131149.2 Ų149.285%0.85179%0.786SS**  trans-85.299.3-177.333.7-28.8000109.1
204T42.9Very low45.1Very low120 Ų120151.8 Ų151.874%0.73679%0.791SS**  trans-143132.6169.130.60000111.6P202P202-T204 PolarHBondContact O-N 3.48Å
205V44.4Very low45.5Very low122 Ų122150.4 Ų150.474%0.73979%0.787SS**  trans92.373165.9-157.30000116.9H207V205-H207 HydrophobicContact CG1-CB 4.11Å; V205-H207 PolarHBondContact O-N 3.39Å
206N38.6Very low45.6Very low164 Ų164152.9 Ų152.988%0.87779%0.787SS**  trans-69.491.2146.5-83.8-32.1000109.2
207H43.1Very low45.7Very low148 Ų148152.2 Ų152.269%0.68578%0.783SS**  trans-161.669164.8-93.1-25.2000111.9V205V205-H207 HydrophobicContact CG1-CB 4.11Å; V205-H207 PolarHBondContact O-N 3.39Å
208F38.9Very low46.1Very low193 Ų193153.7 Ų153.785%0.84678%0.78SS**  trans-148.366.4162.5-94.2-77.8000110.4
209D49.5Very low46.2Very low152 Ų152155.8 Ų155.881%0.81378%0.783SS**SBendtrans-150.641165.5-152.89.4000111.6
210R45.9Very low46.1Very low208 Ų208160.9 Ų160.979%0.78579%0.791SS**SBendtrans-131.25.3-175.7-130.4-179.4-171.9176.42.7115.2
211Q47.9Very low46.5Very low154 Ų154160.6 Ų160.672%0.7278%0.783SS**SBendtrans-104.1-14.7179-82.4-173.7-1500114.8Q213Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.3Å
212D49.6Very low46.9Very low140 Ų140157.8 Ų157.875%0.74979%0.786SS**THydrogen-bonded Turntrans-86.74.1176.7-86.4-6.7000114.2
213Q47.8Very low47.1Very low176 Ų176156.9 Ų156.982%0.82278%0.781SS**THydrogen-bonded Turntrans-98.83.6173.2-80.8-170.94.500114.8Q211Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.3Å
214M45.4Very low47.2Very low160 Ų160154.7 Ų154.779%0.78878%0.782SS**SBendtrans-1000.2-175.7-75.4-99.7-139.100114.7
215Y48.9Very low48Very low216 Ų216156 Ų15685%0.84778%0.784SS**  trans-121.154.3-179.7-74.3-81.4000112.2
216E50.3Low48.4Very low165 Ų165156.1 Ų156.177%0.77179%0.788SS**  trans-95.2120.3160.1-89.2-79.9152.800108.1R218E216-R218 PolarHBondContact O-N 2.89Å
217P53.3Low49.1Very low99 Ų99155.7 Ų155.764%0.64378%0.784SS**  trans-64.9110.2170.725.6-28000107.9M219P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.45Å
218R48.6Very low49.8Very low227 Ų227157.7 Ų157.786%0.85779%0.794SS**  trans-50.498.9169.4-79.6-176.8-178.2177.50.8109E216 F220E216-R218 PolarHBondContact O-N 2.89Å; R218-F220 PolarHBondContact O-N 2.92Å
219M49.7Very low50.7Low178 Ų178156.9 Ų156.988%0.87779%0.79SS**  trans-72.4114.3164.3-70.2-152.2173.800107.3P217 S221P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.45Å; M219-S221 PolarHBondContact O-N 3.44Å
220F47Very low51Low187 Ų187155.3 Ų155.382%0.8279%0.789SS**  trans-64.2114.7172.4-72.6-88.2000108.9R218R218-F220 PolarHBondContact O-N 2.92Å
221S43.7Very low50.9Low96 Ų96152.9 Ų152.967%0.67179%0.79SS**  trans-61.4134.2157.6-90.10000109M219 S223M219-S221 PolarHBondContact O-N 3.44Å; S221-S223 PolarHBondContact O-N 3.34Å
222N53Low51.4Low180 Ų180151.3 Ų151.396%0.96379%0.793SS**SBendtrans-66.422.6174.7-76.9-34.1000114.3
223S56.1Low51.4Low78 Ų78150.6 Ų150.655%0.54580%0.797SS.*SBendtrans-125.194.817759.30000108S221 L225S221-S223 PolarHBondContact O-N 3.34Å; S223-L225 PolarHBondContact O-N 3.32Å
224G46Very low51Low85 Ų85146.4 Ų146.488%0.87679%0.793SS**  trans-67.657.3-176.500000115.1
225L61Low51.3Low148 Ų148145.8 Ų145.878%0.77580%0.798SS**  trans-129.7128176.5-71.3172.4000110.8S223 L227S223-L225 PolarHBondContact O-N 3.32Å; L225-L227 PolarHBondContact O-N 2.88Å
226P52.2Low51Low125 Ų125142.8 Ų142.881%0.81280%0.797SS**  trans-73120.3175.328.3-31.3000110.6Q228P226-Q228 PolarHBondContact O-N 3.32Å
227L52.7Low50.8Low154 Ų154139.3 Ų139.381%0.80680%0.796SS**  trans-73.4112.4168.5-87.5160.7000109.7L225L225-L227 PolarHBondContact O-N 2.88Å
228Q58Low50.5Low190 Ų190140.5 Ų140.589%0.88880%0.803SS**PPolyproline II helixtrans-82.2116.8174.3-167.8173.931.200108.8P226P226-Q228 PolarHBondContact O-N 3.32Å
229F58.7Low50.8Low176 Ų176137.4 Ų137.477%0.77280%0.802SS**PPolyproline II helixtrans-89.7146.7172.5-73.8-80.5000111.2
230P56.5Low50.5Low120 Ų120134.4 Ų134.478%0.77980%0.799SS**PPolyproline II helixtrans-81.2137.3-174.77.29.2000112.3
231I43.7Very low51Low156 Ų156133.1 Ų133.180%0.880%0.799SS**PPolyproline II helixtrans-82.7129.7170.5-58.6166.8000108.8
232P58.4Low51.4Low121 Ų121133.9 Ų133.979%0.78680%0.801SS**PPolyproline II helixtrans-98.8130.6158.127.2-16.3000111.3
233C48.1Very low50.9Low125 Ų125130.9 Ų130.985%0.84580%0.795SS**PPolyproline II helixtrans-68.3157.8-176.6-63.20000114.7
234A39.7Very low51Low89 Ų89133.1 Ų133.174%0.73681%0.808SS**PPolyproline II helixtrans-66.7157.3-179.300000115.7
235V51.4Low51Low147 Ų147135.5 Ų135.589%0.89181%0.805SS**  trans-136.8124.5149.2177.50000108.5
236D43.2Very low50.1Low153 Ų153132.7 Ų132.782%0.81880%0.803SS**  trans-68.6146.8-179.6-75.3-55.1000114.4
237A46.2Very low50.4Low91 Ų91132.4 Ų132.475%0.75280%0.801SS**  trans-158.4125.8143.700000110.1
238P46Very low49.9Very low124 Ų124132.9 Ų132.981%0.80580%0.803SS**  trans-93.9130.2-178.434.6-28.5000110.9
239I54.9Low49.1Very low162 Ų162129.5 Ų129.583%0.83180%0.799SS**  trans-131.7121.7164.8-56.6179.4000109.4
240S44.5Very low48.5Very low115 Ų115126.5 Ų126.580%0.80480%0.797SS**PPolyproline II helixtrans-62.4135.8-173.9-45.40000113.8
241I57.6Low47.6Very low160 Ų160125.9 Ų125.982%0.82180%0.802SS**PPolyproline II helixtrans-101.7129.7171-54173.1000108.5
242P51.1Low47.8Very low112 Ų112123.4 Ų123.473%0.72780%0.799SS**PPolyproline II helixtrans-85.9143.7176.133.5-30.9000112
243S43.5Very low47.2Very low117 Ų117126.6 Ų126.682%0.81880%0.803SS**PPolyproline II helixtrans-63.6135.4170.8-54.20000112.1
244P57.7Low47.3Very low126 Ų126129.6 Ų129.682%0.81881%0.805SS**PPolyproline II helixtrans-101.4121.6163.624.9-11.2000111.8
245T46.2Very low48.1Very low134 Ų134130.2 Ų130.282%0.82280%0.801SS**PPolyproline II helixtrans-51.4138.1172.1-44.60000113.4
246A42.4Very low47.9Very low89 Ų89128.7 Ų128.774%0.73680%0.797SS**PPolyproline II helixtrans-61.4144.7171.500000112.6
247P58.7Low48.3Very low119 Ų119129.7 Ų129.777%0.77379%0.794SS**PPolyproline II helixtrans-99.9124.8156.432.2-22000110.7
248I41.7Very low48.2Very low165 Ų165128.9 Ų128.985%0.84680%0.795SS**PPolyproline II helixtrans-59.8127.5161.3-64.7157.3000107.9
249C41Very low48.3Very low118 Ų118133 Ų13380%0.79780%0.796SS**  trans-139.7136.5161.4-87.70000110.7
250P46Very low48.3Very low114 Ų114130 Ų13074%0.7479%0.787SS**  trans-87.6157.9-161.836.1-35.4000113.1
251A37.9Very low48.4Very low107 Ų107131.1 Ų131.188%0.88479%0.789SS**  trans-65.4126.6169.800000111.3
252S48.4Very low48Very low103 Ų103134.9 Ų134.972%0.7279%0.793SS**  trans-160.4105.1157.7590000111.1
253E45.6Very low47.5Very low188 Ų188132.5 Ų132.588%0.87979%0.789SS**  trans42.8107.8140.8-58.7-174.3163.500119.6
254Q48.8Very low47.4Very low188 Ų188135.8 Ų135.888%0.87979%0.791SS**  trans-69.1131.7161.1-89-165.9-30.100111.2S256Q254-S256 PolarHBondContact O-N 3.4Å
255P57.1Low47.2Very low103 Ų103135.2 Ų135.267%0.66979%0.787SS**  trans-77.7112.5155.329.7-26.6000109.1F257P255-F257 HydrophobicContact CB-CD2 4.35Å; P255-F257 HydrophobicContact CB-CE2 4.27Å; P255-F257 PolarHBondContact O-N 3.01Å
256S47Very low47.1Very low114 Ų114133.4 Ų133.480%0.79779%0.786SS**  trans-71101170.4-177.40000109.6Q254Q254-S256 PolarHBondContact O-N 3.4Å
257F53.1Low47.3Very low174 Ų174139.9 Ų139.976%0.76379%0.793SS**  trans-92.6105.7164.2-85.7-86.1000108.9P255 Y259P255-F257 HydrophobicContact CB-CD2 4.35Å; P255-F257 HydrophobicContact CB-CE2 4.27Å; P255-F257 PolarHBondContact O-N 3.01Å; F257-Y259 PolarHBondContact O-N 2.79Å
258G44.2Very low47Very low74 Ų74139.5 Ų139.576%0.76379%0.791SS**  trans-69.1106.3172.800000110.7
259Y46.6Very low46.9Very low210 Ų210136 Ų13682%0.82480%0.795SS**  trans-76.8126162.2-81.7-89.9000108.8F257 T261F257-Y259 PolarHBondContact O-N 2.79Å; Y259-T261 PolarHBondContact O-N 2.96Å
260P54.5Low46.8Very low100 Ų100133.1 Ų133.165%0.64979%0.786SS**  trans-65.7122.4168.927.2-30.4000108.1W262P260-W262 PolarHBondContact O-N 3.21Å
261T47.9Very low46.7Very low138 Ų138134.8 Ų134.885%0.84779%0.793SS**  trans-49.3109.8169.2-38.80000108.7Y259 G263Y259-T261 PolarHBondContact O-N 2.96Å; T261-G263 VanDerWaalsContact C-N 3.3Å; T261-G263 PolarHBondContact O-N 3.13Å
262W49.5Very low46.8Very low240 Ų240135.4 Ų135.491%0.90979%0.786SS**  trans-65.197.5167.4-83.169.8000107.2P260 H264P260-W262 PolarHBondContact O-N 3.21Å; W262-H264 PolarHBondContact O-N 3.28Å
263G40.8Very low46.4Very low62 Ų62136.9 Ų136.964%0.63979%0.791SS**PPolyproline II helixtrans-61.3116.8174.500000109.4T261 P265T261-G263 VanDerWaalsContact C-N 3.3Å; T261-G263 PolarHBondContact O-N 3.13Å; G263-P265 WeakPolarHBondContact O-CD 3.41Å
264H40.1Very low46.2Very low186 Ų186134.9 Ų134.986%0.86179%0.786SS**PPolyproline II helixtrans-53.1120.6166.9-85.1-80.1000109.5W262 A266W262-H264 PolarHBondContact O-N 3.28Å; H264-A266 PolarHBondContact O-N 3.01Å
265P54.8Low45.8Very low113 Ų113131.6 Ų131.673%0.73478%0.781SS**PPolyproline II helixtrans-67.8121.516327.7-29000107.4G263 Y267G263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-Y267 PolarHBondContact O-N 3.07Å; P265-Y267 VanDerWaalsContact O-N 3.17Å
266A42.6Very low45Very low96 Ų96135.8 Ų135.879%0.79379%0.793SS**PPolyproline II helixtrans-53.7119.3169.800000109.3H264 P268H264-A266 PolarHBondContact O-N 3.01Å; A266-P268 WeakPolarHBondContact O-CD 3.36Å
267Y46.2Very low44.7Very low225 Ų225135.2 Ų135.288%0.88280%0.796SS**PPolyproline II helixtrans-59.1123170.9-101.8-96.5000109.3P265 G269P265-Y267 PolarHBondContact O-N 3.07Å; P265-Y267 VanDerWaalsContact O-N 3.17Å; Y267-G269 PolarHBondContact O-N 3.02Å
268P53.7Low44.1Very low112 Ų112132.4 Ų132.473%0.72780%0.798SS**PPolyproline II helixtrans-74.5126.6164.930-28000108A266 G270A266-P268 WeakPolarHBondContact O-CD 3.36Å; P268-G270 PolarHBondContact O-N 2.99Å; P268-G270 VanDerWaalsContact O-N 3.08Å
269G40Very low43.6Very low90 Ų90133.3 Ų133.393%0.92880%0.798SS**  trans-53.3113.9175.100000111.4Y267Y267-G269 PolarHBondContact O-N 3.02Å
270G38Very low43.6Very low59 Ų59127.7 Ų127.761%0.60880%0.795SS**  trans-129.1102.2172.200000108.3P268 T272P268-G270 PolarHBondContact O-N 2.99Å; P268-G270 VanDerWaalsContact O-N 3.08Å; G270-T272 PolarHBondContact O-N 2.67Å
271V43.3Very low43.2Very low148 Ų148125.8 Ų125.890%0.89779%0.794SS**  trans-62.696.8166.9-103.70000108.1T273V271-T273 PolarHBondContact O-N 2.76Å
272T40.8Very low43.1Very low121 Ų121125.2 Ų125.274%0.74279%0.792SS**  trans-86.390.2169.7-42.90000108G270 L274G270-T272 PolarHBondContact O-N 2.67Å; T272-L274 PolarHBondContact O-N 3.06Å; T272-L274 VanDerWaalsContact O-N 3.11Å
273T39.9Very low43Very low133 Ų133118.5 Ų118.582%0.81678%0.777SS**  trans-63.8102.716340.40000108.8V271V271-T273 PolarHBondContact O-N 2.76Å
274L40.6Very low43.4Very low147 Ų147119 Ų11977%0.7778%0.776SS**  trans-79.4143.1165.1-73.2169.6000109.4T272 M276T272-L274 PolarHBondContact O-N 3.06Å; T272-L274 VanDerWaalsContact O-N 3.11Å; L274-M276 PolarHBondContact O-N 3.38Å
275P40.8Very low44.1Very low119 Ų119116.5 Ų116.577%0.77377%0.773SS**  trans-67.3124.2-174.827-32.2000110.5A277P275-A277 PolarHBondContact O-N 2.61Å
276M40.9Very low44.3Very low190 Ų190114.6 Ų114.694%0.93676%0.762SS**  trans-55104.3166.2-83.1172.377.900109L274 S278L274-M276 PolarHBondContact O-N 3.38Å; M276-S278 PolarHBondContact O-N 3.01Å
277A40.7Very low45.1Very low103 Ų103112.9 Ų112.985%0.85175%0.745SS**  trans-71.7118.8158.800000107.6P275P275-A277 PolarHBondContact O-N 2.61Å
278S39.5Very low46.3Very low115 Ų115104.3 Ų104.380%0.80472%0.716SS**  trans-67.6133-175.3-175.30000112.8M276M276-S278 PolarHBondContact O-N 3.01Å
279A35.5Very low47.5Very low93 Ų93103.5 Ų103.577%0.76970%0.703SS**  trans61.998.7144.800000120.1
280A45.1Very low49.3Very low92 Ų92103.8 Ų103.876%0.7669%0.689SS**  trans-153.8120.2135.100000108.3
281G47.6Very low51.4Low60 Ų60108.3 Ų108.362%0.61969%0.694SS**  trans-66.7-170.8-179.500000113.3V283G281-V283 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.15Å
282P44.2Very low53.3Low125 Ų125106.8 Ų106.881%0.81268%0.677SS**  trans-67.791.7179.529.1-32.3000109.1A284P282-A284 PolarHBondContact O-N 3.3Å
283V48.8Very low55.2Low99 Ų99103.4 Ų103.460%0.665%0.651SS**  trans-64.5107.4166.1176.40000105.3G281 V285G281-V283 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.15Å; V283-V285 PolarHBondContact O-N 3.46Å
284A47.8Very low57.5Low74 Ų74105 Ų10561%0.61265%0.646SS**  trans-41.2137.4163.900000108.3P282 S286P282-A284 PolarHBondContact O-N 3.3Å; A284-S286 PolarHBondContact O-N 2.86Å
285V56.4Low59.8Low132 Ų132103.7 Ų103.780%0.865%0.645SS**THydrogen-bonded Turntrans-54.15.2-172.4-157.30000114.7V283V283-V285 PolarHBondContact O-N 3.46Å
286S57.3Low62.2Low73 Ų73100.3 Ų100.351%0.5162%0.62SS.*THydrogen-bonded Turntrans-93.56.9-178.4-62.60000116.2A284 K311A284-S286 PolarHBondContact O-N 2.86Å; S286-K311 PolarHBondContact OG-NZ 3.08Å
287S60.5Low64.5Low61 Ų6194.5 Ų94.543%0.42760%0.597SS.*  trans-150.362.9-179.7-143.60000116M289S287-M289 PolarHBondContact O-N 2.73Å; S287-M289 WeakPolarHBondContact OG-CE 3.46Å
288V70.9Confident67Low45 Ų4594.7 Ų94.727%0.27358%0.583SS.*  trans-74.4112.8152.4-177.70000106.7Q292 R293 L296 L304V288-Q292 HydrophobicContact CG1-CB 3.7Å; V288-R293 HydrophobicContact CB-CG 4.25Å; V288-R293 HydrophobicContact CG1-CG 3.73Å; V288-R293 PolarHBondContact O-NE 3.5Å; V288-L296 HydrophobicContact CG1-CD1 4.28Å; V288-L304 HydrophobicContact CB-CD1 4.39Å; V288-L304 HydrophobicContact CG2-CD1 4.16Å
289M78.7Confident69.4Low94 Ų9497.3 Ų97.346%0.46358%0.576SS.*  trans-51.7141.5177.5-73.4-67.7110.800110S287 E291 Q292 R293S287-M289 PolarHBondContact O-N 2.73Å; S287-M289 WeakPolarHBondContact OG-CE 3.46Å; M289-E291 PolarHBondContact O-N 3.48Å; M289-Q292 HydrophobicContact CB-CG 4.5Å; M289-Q292 PolarHBondContact O-N 2.99Å; M289-R293 PolarHBondContact O-N 3.22Å
290P79Confident72.1Confident96 Ų9695.3 Ų95.362%0.62355%0.551SS**THydrogen-bonded Turntrans-51.8-29.8-178.4-26.833.6000113.8R293P290-R293 PolarHBondContact O-N 3.01Å
291E81.5Confident74.3Confident155 Ų15594.8 Ų94.872%0.72453%0.53SS*.THydrogen-bonded Turntrans-71.1-37.9178.4-68.416415700112.8M289 R293 K294M289-E291 PolarHBondContact O-N 3.48Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 3.42Å; E291-K294 PolarHBondContact O-N 3.47Å
292Q82.3Confident76.5Confident116 Ų11696.6 Ų96.654%0.54253%0.525SS..G310 helixtrans-72.5-23175.5-69.1-179.6-29.700112.1V288 M289 K294 T295V288-Q292 HydrophobicContact CG1-CB 3.7Å; M289-Q292 HydrophobicContact CB-CG 4.5Å; M289-Q292 PolarHBondContact O-N 2.99Å; Q292-K294 PolarHBondContact O-N 2.9Å; Q292-T295 PolarHBondContact O-N 3.43Å; Q292-T295 PolarHBondContact O-OG1 3.19Å
293R81.7Confident78.8Confident49 Ų4992 Ų9219%0.18550%0.501CS..G310 helixtrans-65.8-20.5176.3-62.7-171.1-176.7-164.67.1113.1V288 M289 P290 E291 L296 R301 E308V288-R293 HydrophobicContact CB-CG 4.25Å; V288-R293 HydrophobicContact CG1-CG 3.73Å; V288-R293 PolarHBondContact O-NE 3.5Å; M289-R293 PolarHBondContact O-N 3.22Å; P290-R293 PolarHBondContact O-N 3.01Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 3.42Å; R293-L296 PolarHBondContact O-N 2.95Å; R293-R301 PolarHBondContact O-NE 3.45Å; R293-E308 IonicContact CZ-OE2 2.77Å; R293-E308 VanDerWaalsContact CZ-OE2 3.23Å; R293-E308 IonicContact NH1-OE2 2.65Å; R293-E308 PolarHBondContact NH1-OE2 3.38Å; R293-E308 IonicContact NH2-OE2 2.79Å; R293-E308 PolarHBondContact NH2-OE2 3.01Å
294K87.4Confident80.9Confident166 Ų16688.7 Ų88.772%0.72248%0.48SS*.G310 helixtrans-73.2-26.1178.5-65-178.2-179.1176.30113.2E291 Q292 L296 R301E291-K294 PolarHBondContact O-N 3.47Å; Q292-K294 PolarHBondContact O-N 2.9Å; K294-L296 VanDerWaalsContact C-N 3.35Å; K294-R301 PolarHBondContact O-NH2 3.26Å
295T90.1Very high83.1Confident121 Ų12189.9 Ų89.974%0.74247%0.472SS*.G310 helixtrans-86.7-9178.557.50000112.9Q292Q292-T295 PolarHBondContact O-N 3.43Å; Q292-T295 PolarHBondContact O-OG1 3.19Å
296L90.4Very high84.8Confident47 Ų4790.5 Ų90.525%0.24647%0.465CS..SBendtrans-82.4142.6178.8-61.9175.4000110.8V288 R293 K294 I300 R301 L304V288-L296 HydrophobicContact CG1-CD1 4.28Å; R293-L296 PolarHBondContact O-N 2.95Å; K294-L296 VanDerWaalsContact C-N 3.35Å; L296-I300 HydrophobicContact CB-CB 4.27Å; L296-I300 HydrophobicContact CB-CG2 4.29Å; L296-I300 HydrophobicContact CD1-CG2 3.87Å; L296-I300 HydrophobicContact CG-CG2 4.48Å; L296-R301 PolarHBondContact O-NH2 3.45Å; L296-L304 HydrophobicContact CD1-CD1 3.88Å
297P90Very high86.5Confident69 Ų6992.1 Ų92.145%0.44847%0.466SS..  trans-49.5146.6167.2-27.434000112.4W299 I300 R301P297-W299 VanDerWaalsContact C-N 3.3Å; P297-W299 PolarHBondContact O-N 3.01Å; P297-I300 HydrophobicContact CG-CD1 4.39Å; P297-I300 PolarHBondContact O-N 3.38Å; P297-R301 PolarHBondContact O-N 3.17Å
298N91.3Very high87.9Confident107 Ų10792 Ų9257%0.57246%0.459SS*.Hα-helixtrans-53.4-43.2-172.9-68.8-16.1000113I300 R301 D302N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3.03Å; N298-R301 WeakPolarHBondContact O-CB 3.05Å; N298-R301 PolarHBondContact O-N 3.42Å; N298-D302 PolarHBondContact O-N 2.91Å
299W90.8Very high88.8Confident170 Ų17094.2 Ų94.264%0.64447%0.466SS*.Hα-helixtrans-62.4-31.6-179.271.6-94.6000113.7P297 G303P297-W299 VanDerWaalsContact C-N 3.3Å; P297-W299 PolarHBondContact O-N 3.01Å; W299-G303 PolarHBondContact O-N 3.19Å
300I91.6Very high89.4Confident50 Ų5095.5 Ų95.526%0.25647%0.471SS..Hα-helixtrans-74.2-41174.8-58-175.3000109.8L296 P297 N298 G303 L304L296-I300 HydrophobicContact CB-CB 4.27Å; L296-I300 HydrophobicContact CB-CG2 4.29Å; L296-I300 HydrophobicContact CD1-CG2 3.87Å; L296-I300 HydrophobicContact CG-CG2 4.48Å; P297-I300 HydrophobicContact CG-CD1 4.39Å; P297-I300 PolarHBondContact O-N 3.38Å; N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3.03Å; I300-G303 PolarHBondContact O-N 3.17Å; I300-L304 HydrophobicContact CG2-CD1 4.19Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 3.37Å
301R92.1Very high89.9Confident82 Ų8296.5 Ų96.531%0.30947%0.466SS..Hα-helixtrans-60.3-47.8177.3-167.9-176.2-56.6147.812.7110.8R293 K294 L296 P297 N298 G303 L304 E305R293-R301 PolarHBondContact O-NE 3.45Å; K294-R301 PolarHBondContact O-NH2 3.26Å; L296-R301 PolarHBondContact O-NH2 3.45Å; P297-R301 PolarHBondContact O-N 3.17Å; N298-R301 WeakPolarHBondContact O-CB 3.05Å; N298-R301 PolarHBondContact O-N 3.42Å; R301-G303 VanDerWaalsContact C-N 3.34Å; R301-L304 PolarHBondContact O-N 3.34Å; R301-E305 WeakPolarHBondContact O-CB 3.45Å; R301-E305 PolarHBondContact O-N 2.96Å
302D92.8Very high90.2Very high97 Ų9796.1 Ų96.152%0.51946%0.458SS..Hα-helixtrans-65.1-39.5178.1-60.1-12.5000110.9N298 E305 K306N298-D302 PolarHBondContact O-N 2.91Å; D302-E305 PolarHBondContact O-N 3.05Å; D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 PolarHBondContact O-N 3.45Å
303G93.4Very high90.4Very high29 Ų2999.8 Ų99.830%0.29947%0.467SS..Hα-helixtrans-62-46.1174.800000113.1W299 I300 R301 K306 I307W299-G303 PolarHBondContact O-N 3.19Å; I300-G303 PolarHBondContact O-N 3.17Å; R301-G303 VanDerWaalsContact C-N 3.34Å; G303-K306 PolarHBondContact O-N 3.03Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.46Å; G303-I307 VanDerWaalsContact O-N 3.09Å
304L93.4Very high90.5Very high30 Ų30101.3 Ų101.316%0.15748%0.484CS..Hα-helixtrans-66.6-38.6176.8-72175.8000112.2V288 L296 I300 R301 I307 E308V288-L304 HydrophobicContact CB-CD1 4.39Å; V288-L304 HydrophobicContact CG2-CD1 4.16Å; L296-L304 HydrophobicContact CD1-CD1 3.88Å; I300-L304 HydrophobicContact CG2-CD1 4.19Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 3.37Å; R301-L304 PolarHBondContact O-N 3.34Å; L304-I307 PolarHBondContact O-N 2.93Å; L304-E308 WeakPolarHBondContact O-CB 3.39Å; L304-E308 PolarHBondContact O-N 3.01Å
305E92.3Very high90.2Very high98 Ų9897.5 Ų97.546%0.45848%0.475SS..Hα-helixtrans-64.7-41.8175.5-177.5167.7-160.600111.6R301 D302 E308 Q309R301-E305 WeakPolarHBondContact O-CB 3.45Å; R301-E305 PolarHBondContact O-N 2.96Å; D302-E305 PolarHBondContact O-N 3.05Å; E305-E308 PolarHBondContact O-N 3.22Å; E305-Q309 WeakPolarHBondContact O-CG 3.46Å; E305-Q309 PolarHBondContact O-N 3.41Å
306K93.9Very high89.4Confident146 Ų14697.9 Ų97.964%0.63547%0.473SS*.Hα-helixtrans-61.6-45176-171.5179.2178.3-174.50112.1D302 G303 E308 Q309 E310D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 PolarHBondContact O-N 3.45Å; G303-K306 PolarHBondContact O-N 3.03Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.97Å; K306-Q309 PolarHBondContact O-N 3.38Å; K306-E310 WeakPolarHBondContact O-CB 3.36Å; K306-E310 PolarHBondContact O-N 2.94Å
307I91.4Very high88Confident106 Ų10698.8 Ų98.854%0.54449%0.494SS..Hα-helixtrans-63.4-39.2177.1-67.2165.3000110.8G303 L304 E310 K311G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.46Å; G303-I307 VanDerWaalsContact O-N 3.09Å; L304-I307 PolarHBondContact O-N 2.93Å; I307-E310 PolarHBondContact O-N 3.31Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 PolarHBondContact O-N 3.11Å
308E90.7Very high86.5Confident60 Ų60100.3 Ų100.328%0.2851%0.506SS..Hα-helixtrans-67.5-40.8177.3-171.4176.6164.200112.2R293 L304 E305 K306 K311 R312R293-E308 IonicContact CZ-OE2 2.77Å; R293-E308 VanDerWaalsContact CZ-OE2 3.23Å; R293-E308 IonicContact NH1-OE2 2.65Å; R293-E308 PolarHBondContact NH1-OE2 3.38Å; R293-E308 IonicContact NH2-OE2 2.79Å; R293-E308 PolarHBondContact NH2-OE2 3.01Å; L304-E308 WeakPolarHBondContact O-CB 3.39Å; L304-E308 PolarHBondContact O-N 3.01Å; E305-E308 PolarHBondContact O-N 3.22Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.97Å; E308-K311 PolarHBondContact O-N 2.86Å; E308-R312 WeakPolarHBondContact O-CG 3.34Å; E308-R312 PolarHBondContact O-N 3.32Å; E308-R312 IonicContact OE1-CZ 3.42Å; E308-R312 IonicContact OE1-NH1 3.58Å; E308-R312 IonicContact OE1-NH2 2.72Å; E308-R312 PolarHBondContact OE1-NH2 3.39Å
309Q90.5Very high85Confident91 Ų91100.3 Ų100.343%0.42551%0.51SS..Hα-helixtrans-64.2-41.8173.6-73.9-176.68.800112.1E305 K306 R312 R313E305-Q309 WeakPolarHBondContact O-CG 3.46Å; E305-Q309 PolarHBondContact O-N 3.41Å; K306-Q309 PolarHBondContact O-N 3.38Å; Q309-R312 PolarHBondContact O-N 3.12Å; Q309-R313 PolarHBondContact O-N 2.72Å
310E90.4Very high83.4Confident121 Ų121100.9 Ų100.957%0.56552%0.52SS*.Hα-helixtrans-64.8-43.1177-173.1155.5-148.800111.3K306 I307 R312 R313 S314K306-E310 WeakPolarHBondContact O-CB 3.36Å; K306-E310 PolarHBondContact O-N 2.94Å; I307-E310 PolarHBondContact O-N 3.31Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.17Å; E310-R313 PolarHBondContact O-N 3.25Å; E310-S314 PolarHBondContact O-N 3.44Å; E310-S314 PolarHBondContact O-OG 2.79Å
311K89.8Confident81.7Confident117 Ų117107.9 Ų107.951%0.50955%0.551SS.*Hα-helixtrans-60.4-39.6174.6-166.6179.9-177.1-175.90112.4S286 I307 E308 S314 T315S286-K311 PolarHBondContact OG-NZ 3.08Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 PolarHBondContact O-N 3.11Å; E308-K311 PolarHBondContact O-N 2.86Å; K311-S314 PolarHBondContact O-N 2.98Å; K311-T315 WeakPolarHBondContact O-CB 3.07Å; K311-T315 PolarHBondContact O-N 2.79Å; K311-T315 PolarHBondContact O-OG1 3.34Å
312R87.4Confident80Confident146 Ų146108.3 Ų108.355%0.55157%0.573SS**Hα-helixtrans-63.7-45.9174.3-75.1-175.1-179.6123.211.1111.6E308 Q309 E310 S314 T315 D316E308-R312 WeakPolarHBondContact O-CG 3.34Å; E308-R312 PolarHBondContact O-N 3.32Å; E308-R312 IonicContact OE1-CZ 3.42Å; E308-R312 IonicContact OE1-NH1 3.58Å; E308-R312 IonicContact OE1-NH2 2.72Å; E308-R312 PolarHBondContact OE1-NH2 3.39Å; Q309-R312 PolarHBondContact O-N 3.12Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.17Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.26Å; R312-T315 PolarHBondContact O-N 2.9Å; R312-D316 PolarHBondContact O-N 3.23Å
313R87.6Confident78.4Confident194 Ų194109.8 Ų109.873%0.73259%0.585SS**Hα-helixtrans-58.7-42.2175.9-74.3-178.7179.1164.11.6112.5Q309 E310 G317Q309-R313 PolarHBondContact O-N 2.72Å; E310-R313 PolarHBondContact O-N 3.25Å; R313-G317 PolarHBondContact O-N 3.27Å; R313-G317 VanDerWaalsContact O-N 3.17Å
314S82.4Confident76.6Confident80 Ų80112.7 Ų112.756%0.55961%0.606SS**Hα-helixtrans-70.9-30.2178.3-570000113.4E310 K311 R312E310-S314 PolarHBondContact O-N 3.44Å; E310-S314 PolarHBondContact O-OG 2.79Å; K311-S314 PolarHBondContact O-N 2.98Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.26Å
315T81.4Confident74.8Confident87 Ų87118.1 Ų118.153%0.53464%0.64SS.*Hα-helixtrans-78.5-38.3-178.9-47.80000111.5K311 R312K311-T315 WeakPolarHBondContact O-CB 3.07Å; K311-T315 PolarHBondContact O-N 2.79Å; K311-T315 PolarHBondContact O-OG1 3.34Å; R312-T315 PolarHBondContact O-N 2.9Å
316D73.2Confident72.8Confident129 Ų129119.7 Ų119.769%0.6966%0.657SS**Hα-helixtrans-81.3-24-179.5-66.7-27.6000112.8R312R312-D316 PolarHBondContact O-N 3.23Å
317G61.4Low70.7Confident66 Ų66121.8 Ų121.868%0.6867%0.669SS**SBendtrans-85.2-9.6-177.200000116.6R313R313-G317 PolarHBondContact O-N 3.27Å; R313-G317 VanDerWaalsContact O-N 3.17Å
318S58Low69Low100 Ų100124 Ų12470%0.69969%0.687SS**SBendtrans-99.8-2.4-170.4-173.80000115
319T59.7Low67.1Low108 Ų108129.7 Ų129.766%0.66371%0.714SS**SBendtrans-115.8-2.9-167.1-22.80000115.2
320E57.5Low65.3Low182 Ų182131.9 Ų131.985%0.8573%0.728SS**SBendtrans-105-7.3-178-81.7-165.3149.400116.1
321E55.9Low63.6Low196 Ų196133 Ų13392%0.91674%0.738SS**SBendtrans-96.1-3.5-178.1-136.7179.6-174.800114.9
322A58Low62.2Low92 Ų92133.8 Ų133.876%0.7675%0.753SS**SBendtrans-103.20.7-171.900000116
323V58Low60.7Low128 Ų128130 Ų13078%0.77676%0.759SS**SBendtrans-128.416.2-168.4-163.40000114.2
324A55.1Low59.4Low89 Ų89129.6 Ų129.674%0.73677%0.766SS**  trans-113.116.2-172.900000116.8
325V56.3Low58.2Low145 Ų145130.1 Ų130.188%0.87977%0.767SS**  trans-129.282.7175.8-171.20000110.4
326T49.3Very low56.8Low131 Ų131134.3 Ų134.380%0.80478%0.78SS**  trans-136.6144.5164.633.90000109
327E51.2Low56.2Low190 Ų190136.6 Ų136.689%0.88879%0.787SS**  trans79.783.7179.4-66.7-171.9133.800118
328T55.7Low56.2Low152 Ų152141.1 Ų141.193%0.93380%0.795SS**  -161121.211420.70000112.6
329Q49.9Very low56.5Low179 Ų179141.7 Ų141.784%0.83680%0.799SS**  trans-44.1138.1169.3179.9-173.9-0.200118.4
330D52.9Low56.7Low137 Ų137146.4 Ų146.473%0.73381%0.811SS**  159.297.8128.4-102.6-13.6000108.1
331D55.4Low57.2Low146 Ų146142 Ų14278%0.78180%0.8SS**  56.5100.793.2-155.915.4000113.3
332T60.5Low57.6Low133 Ų133142 Ų14282%0.81679%0.793SS**  trans158112.7131.5-55.80000110.3
333G55.9Low58.1Low65 Ų65146.2 Ų146.267%0.6779%0.794SS**  trans106.391.113900000118.9
334E59Low58.3Low187 Ų187146.4 Ų146.487%0.87479%0.791SS**  trans73.4149.3136.5-63.7-65.2119.400120.1
335P57.7Low58.9Low91 Ų91146.1 Ų146.159%0.59178%0.784SS**  trans-123.3176.9-132.444.4-31.7000112.8
336E52Low59.6Low174 Ų174143.4 Ų143.481%0.81377%0.771SS**  trans60.2112.2158.1-64.6-178.8161.200115.1
337E61.7Low60.7Low178 Ų178140.8 Ų140.883%0.83276%0.758SS**  172.595.986.3-77.9-171.4151.200106.9
338D61.7Low61.6Low160 Ų160140.5 Ų140.586%0.85675%0.749SS**  trans-159.143.3169.8-121-12.7000115.6
339S63.6Low63Low112 Ų112137.7 Ų137.778%0.78373%0.728SS**  trans-11123.5-179.2-53.70000115
340K64.3Low64.9Low207 Ų207134.7 Ų134.790%0.971%0.714SS**  trans-102.49.8-169.5-148164.5-176.2174.90117.1
341S67.5Low66.7Low90 Ų90131 Ų13163%0.62970%0.703SS**  trans-102.5-2.3-175.262.90000116.6K343S341-K343 VanDerWaalsContact C-N 3.33Å; S341-K343 PolarHBondContact O-N 3Å
342Y63.7Low68.5Low195 Ų195129.1 Ų129.177%0.76569%0.689SS**THydrogen-bonded Turntrans-77.5-3.5-173-76.1-79.6000116.5
343K69Low70Confident182 Ų182125.8 Ų125.879%0.79167%0.669SS**THydrogen-bonded Turntrans-89.4-25.1-172.1-156.6167.3-178.6178.20114.4S341S341-K343 VanDerWaalsContact C-N 3.33Å; S341-K343 PolarHBondContact O-N 3Å
344D61.2Low71.9Confident131 Ų131126.7 Ų126.770%0.70166%0.656SS**Hα-helixtrans-86.8-13.9-173.8-69.1-19.6000113.9S346 S347D344-S346 VanDerWaalsContact C-N 3.31Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S347 PolarHBondContact O-OG 2.89Å
345S67.5Low73.6Confident84 Ų84124 Ų12459%0.58764%0.643SS**Hα-helixtrans-71.8-26.8175.7-32.90000112.5
346S71.2Confident75.4Confident88 Ų88124.7 Ų124.762%0.61564%0.641SS**Hα-helixtrans-76.4-35-174.3-169.50000113.1D344 E350D344-S346 VanDerWaalsContact C-N 3.31Å; D344-S346 PolarHBondContact O-N 3.46Å; S346-E350 PolarHBondContact O-N 2.91Å
347S73.3Confident77.6Confident75 Ų75121.4 Ų121.452%0.52463%0.629SS.*Hα-helixtrans-77.6-36.7-17756.10000112.5D344 N349 E350D344-S347 PolarHBondContact O-OG 2.89Å; S347-N349 VanDerWaalsContact C-N 3.35Å; S347-E350 PolarHBondContact O-N 3.37Å
348R69.3Low79.3Confident185 Ų185120 Ų12070%0.69862%0.616SS**Hα-helixtrans-65.9-37.8176.1-171.8173.6173.7162.90.9112.1E350 A351 E352R348-E350 VanDerWaalsContact C-N 3.31Å; R348-E350 PolarHBondContact O-N 3.43Å; R348-A351 PolarHBondContact O-N 3.29Å; R348-E352 IonicContact NE-OE1 3.77Å; R348-E352 PolarHBondContact O-N 3.47Å
349N84.8Confident81Confident93 Ų93115.1 Ų115.150%0.49759%0.592SS.*Hα-helixtrans-66-32.4175.9-170.20.1000112.3S347 E352 T353S347-N349 VanDerWaalsContact C-N 3.35Å; N349-E352 PolarHBondContact O-N 3.09Å; N349-T353 WeakPolarHBondContact O-CB 3.37Å; N349-T353 PolarHBondContact O-N 3.41Å; N349-T353 PolarHBondContact O-OG1 2.68Å; N349-T353 PolarHBondContact OD1-OG1 3.29Å
350E90Very high82.6Confident116 Ų116113.5 Ų113.554%0.54257%0.574SS.*Hα-helixtrans-64.9-42.7177.9-167.9-178167.500112.1S346 S347 R348 T353 Q354S346-E350 PolarHBondContact O-N 2.91Å; S347-E350 PolarHBondContact O-N 3.37Å; R348-E350 VanDerWaalsContact C-N 3.31Å; R348-E350 PolarHBondContact O-N 3.43Å; E350-T353 PolarHBondContact O-N 2.96Å; E350-Q354 WeakPolarHBondContact O-CG 3.42Å; E350-Q354 PolarHBondContact O-N 3.49Å; E350-Q354 PolarHBondContact OE1-NE2 2.93Å
351A91.4Very high84.1Confident60 Ų60109.9 Ų109.950%0.49656%0.56SS.*Hα-helixtrans-63.5-43.2177.400000112.1R348 T353 Q354 Q355R348-A351 PolarHBondContact O-N 3.29Å; A351-T353 VanDerWaalsContact C-N 3.34Å; A351-Q354 PolarHBondContact O-N 2.89Å; A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.96Å
352E92.4Very high85.5Confident106 Ų106113.8 Ų113.850%0.49556%0.561SS.*Hα-helixtrans-63.2-41.2175.2-69.2176.2-168.900111.2R348 N349 Q355 L356R348-E352 IonicContact NE-OE1 3.77Å; R348-E352 PolarHBondContact O-N 3.47Å; N349-E352 PolarHBondContact O-N 3.09Å; E352-Q355 PolarHBondContact O-N 3.33Å; E352-L356 WeakPolarHBondContact O-CB 3.35Å; E352-L356 PolarHBondContact O-N 2.88Å
353T92.5Very high87.2Confident63 Ų63109.7 Ų109.739%0.38755%0.549SS..Hα-helixtrans-64-43175.5-58.60000111.7N349 E350 A351 L356 L357N349-T353 WeakPolarHBondContact O-CB 3.37Å; N349-T353 PolarHBondContact O-N 3.41Å; N349-T353 PolarHBondContact O-OG1 2.68Å; N349-T353 PolarHBondContact OD1-OG1 3.29Å; E350-T353 PolarHBondContact O-N 2.96Å; A351-T353 VanDerWaalsContact C-N 3.34Å; T353-L356 PolarHBondContact O-N 3.2Å; T353-L357 HydrophobicContact CG2-CD1 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.43Å; T353-L357 PolarHBondContact O-N 3.27Å
354Q95.1Very high88.5Confident84 Ų84106.1 Ų106.139%0.39354%0.538SS..Hα-helixtrans-64.5-39.4175.8-71.9-176.318.900111.9E350 A351 L357 R358E350-Q354 WeakPolarHBondContact O-CG 3.42Å; E350-Q354 PolarHBondContact O-N 3.49Å; E350-Q354 PolarHBondContact OE1-NE2 2.93Å; A351-Q354 PolarHBondContact O-N 2.89Å; Q354-L357 PolarHBondContact O-N 2.91Å; Q354-R358 WeakPolarHBondContact O-CG 3.4Å; Q354-R358 PolarHBondContact O-N 3.29Å
355Q95.7Very high90.3Very high131 Ų131103.3 Ų103.361%0.61253%0.526SS*.Hα-helixtrans-65.2-41.1174.9-174.4176-0.900111.7A351 E352 R358 T359A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.96Å; E352-Q355 PolarHBondContact O-N 3.33Å; Q355-R358 PolarHBondContact O-N 3.22Å; Q355-T359 WeakPolarHBondContact O-CB 3.29Å; Q355-T359 PolarHBondContact O-N 3.24Å; Q355-T359 PolarHBondContact O-OG1 3.01Å
356L96.1Very high91.7Very high104 Ų104102 Ų10255%0.54552%0.52SS..Hα-helixtrans-61.3-46.6174.6179.962.6000111.3E352 T353 R358 T359 L360E352-L356 WeakPolarHBondContact O-CB 3.35Å; E352-L356 PolarHBondContact O-N 2.88Å; T353-L356 PolarHBondContact O-N 3.2Å; L356-R358 PolarHBondContact O-N 3.24Å; L356-T359 WeakPolarHBondContact O-CB 3.37Å; L356-T359 PolarHBondContact O-N 2.97Å; L356-T359 VanDerWaalsContact O-N 3.15Å; L356-L360 HydrophobicContact CD1-CD1 4.49Å; L356-L360 HydrophobicContact CD1-CG 4.44Å; L356-L360 HydrophobicContact CG-CD1 4.25Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å
357L97.3Very high92.9Very high106 Ų106101.3 Ų101.356%0.55551%0.509SS*.Hα-helixtrans-61.6-42.3177.4-73.5173000112.3T353 Q354 T359 L360 Q361T353-L357 HydrophobicContact CG2-CD1 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.43Å; T353-L357 PolarHBondContact O-N 3.27Å; Q354-L357 PolarHBondContact O-N 2.91Å; L357-T359 VanDerWaalsContact C-N 3.3Å; L357-T359 PolarHBondContact O-N 2.92Å; L357-L360 PolarHBondContact O-N 3.46Å; L357-Q361 WeakPolarHBondContact O-CB 3.39Å; L357-Q361 PolarHBondContact O-N 2.98Å
358R96.9Very high94.1Very high148 Ų148103.1 Ų103.156%0.55851%0.512SS*.Hα-helixtrans-63-38.1174.2-71.8178-166.1161.88.1111.9Q354 Q355 L356 Q361 R362Q354-R358 WeakPolarHBondContact O-CG 3.4Å; Q354-R358 PolarHBondContact O-N 3.29Å; Q355-R358 PolarHBondContact O-N 3.22Å; L356-R358 PolarHBondContact O-N 3.24Å; R358-Q361 PolarHBondContact O-N 3.49Å; R358-R362 WeakPolarHBondContact O-CG 3.34Å; R358-R362 PolarHBondContact O-N 2.96Å
359T97.3Very high95.4Very high58 Ų5899.1 Ų99.136%0.35650%0.504SS..Hα-helixtrans-66.9-47.3177.8-56.40000111Q355 L356 L357 Q361 R362 Q363Q355-T359 WeakPolarHBondContact O-CB 3.29Å; Q355-T359 PolarHBondContact O-N 3.24Å; Q355-T359 PolarHBondContact O-OG1 3.01Å; L356-T359 WeakPolarHBondContact O-CB 3.37Å; L356-T359 PolarHBondContact O-N 2.97Å; L356-T359 VanDerWaalsContact O-N 3.15Å; L357-T359 VanDerWaalsContact C-N 3.3Å; L357-T359 PolarHBondContact O-N 2.92Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.32Å; T359-R362 PolarHBondContact O-N 3.06Å; T359-Q363 WeakPolarHBondContact O-CG 3.49Å; T359-Q363 PolarHBondContact O-N 3.4Å
360L97.2Very high96Very high77 Ų77101.4 Ų101.440%0.40351%0.511SS..Hα-helixtrans-59.8-41.9174.7-73.3173.1000111.6L356 L357 R362 Q363 L364L356-L360 HydrophobicContact CD1-CD1 4.49Å; L356-L360 HydrophobicContact CD1-CG 4.44Å; L356-L360 HydrophobicContact CG-CD1 4.25Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å; L357-L360 PolarHBondContact O-N 3.46Å; L360-R362 PolarHBondContact O-N 3.18Å; L360-Q363 PolarHBondContact O-N 2.93Å; L360-L364 WeakPolarHBondContact O-CB 3.38Å; L360-L364 WeakPolarHBondContact O-CG 3.35Å; L360-L364 PolarHBondContact O-N 3.2Å
361Q97.5Very high96.4Very high132 Ų13299.7 Ų99.762%0.61751%0.509SS*.Hα-helixtrans-61-44.2175.9-175.7-177-0.600112L357 R358 T359 T365L357-Q361 WeakPolarHBondContact O-CB 3.39Å; L357-Q361 PolarHBondContact O-N 2.98Å; R358-Q361 PolarHBondContact O-N 3.49Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.32Å; Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.99Å; Q361-T365 PolarHBondContact O-OG1 2.87Å
362R97Very high96.7Very high171 Ų171100.3 Ų100.365%0.64551%0.506SS*.Hα-helixtrans-62.5-44.4176.2-73.2174.4-176.3-176.8-0.3111.3R358 T359 L360 T365 A366R358-R362 WeakPolarHBondContact O-CG 3.34Å; R358-R362 PolarHBondContact O-N 2.96Å; T359-R362 PolarHBondContact O-N 3.06Å; L360-R362 PolarHBondContact O-N 3.18Å; R362-T365 PolarHBondContact O-N 3.33Å; R362-A366 PolarHBondContact O-N 2.95Å
363Q97.8Very high97Very high110 Ų11099.8 Ų99.851%0.51451%0.507SS..Hα-helixtrans-64.3-46.6178.2-73.4179.9-16.900112.4T359 L360 T365 A366 I367T359-Q363 WeakPolarHBondContact O-CG 3.49Å; T359-Q363 PolarHBondContact O-N 3.4Å; L360-Q363 PolarHBondContact O-N 2.93Å; Q363-T365 VanDerWaalsContact C-N 3.3Å; Q363-T365 PolarHBondContact O-N 3.12Å; Q363-A366 PolarHBondContact O-N 3.42Å; Q363-I367 WeakPolarHBondContact O-CG1 3.32Å; Q363-I367 PolarHBondContact O-N 3.43Å
364L97.7Very high97.2Very high107 Ų107100.2 Ų100.256%0.5651%0.513SS*.Hα-helixtrans-61.6-39.6176.3-73.4172000111.8L360 I367 L368L360-L364 WeakPolarHBondContact O-CB 3.38Å; L360-L364 WeakPolarHBondContact O-CG 3.35Å; L360-L364 PolarHBondContact O-N 3.2Å; L364-I367 PolarHBondContact O-N 3.02Å; L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.47Å; L364-L368 PolarHBondContact O-N 3.25Å
365T97.7Very high97.3Very high71 Ų71102 Ų10244%0.43652%0.521SS..Hα-helixtrans-64.4-42.3176-54.80000111.3Q361 R362 Q363 L368 L369Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.99Å; Q361-T365 PolarHBondContact O-OG1 2.87Å; R362-T365 PolarHBondContact O-N 3.33Å; Q363-T365 VanDerWaalsContact C-N 3.3Å; Q363-T365 PolarHBondContact O-N 3.12Å; T365-L368 PolarHBondContact O-N 3.43Å; T365-L369 HydrophobicContact CG2-CD1 4.3Å; T365-L369 WeakPolarHBondContact O-CG 3.29Å; T365-L369 PolarHBondContact O-N 3.36Å
366A97Very high97.5Very high57 Ų5799.4 Ų99.447%0.47151%0.514SS..Hα-helixtrans-62-45.5176.700000111.8R362 Q363 L368 L369 E370R362-A366 PolarHBondContact O-N 2.95Å; Q363-A366 PolarHBondContact O-N 3.42Å; A366-L368 PolarHBondContact O-N 2.94Å; A366-L369 PolarHBondContact O-N 3.29Å; A366-E370 PolarHBondContact O-N 3.17Å
367I97.5Very high97.5Very high73 Ų73100.9 Ų100.937%0.37452%0.518SS..Hα-helixtrans-62-43.9176.7-66.5165.5000111Q363 L364 L369 E370 V371Q363-I367 WeakPolarHBondContact O-CG1 3.32Å; Q363-I367 PolarHBondContact O-N 3.43Å; L364-I367 PolarHBondContact O-N 3.02Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.94Å; I367-E370 PolarHBondContact O-N 3.39Å; I367-V371 HydrophobicContact CG2-CG2 4.35Å; I367-V371 WeakPolarHBondContact O-CG2 3.35Å; I367-V371 PolarHBondContact O-N 3.5Å
368L97.4Very high97.6Very high114 Ų11497.9 Ų97.960%0.59751%0.509SS*.Hα-helixtrans-62-40.1177.9-76.6171.2000112.2L364 T365 A366 T372L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.47Å; L364-L368 PolarHBondContact O-N 3.25Å; T365-L368 PolarHBondContact O-N 3.43Å; A366-L368 PolarHBondContact O-N 2.94Å; L368-T372 VanDerWaalsContact O-CB 3.3Å; L368-T372 WeakPolarHBondContact O-CB 3.42Å; L368-T372 PolarHBondContact O-N 3.39Å; L368-T372 PolarHBondContact O-OG1 2.77Å
369L98Very high97.6Very high100 Ų10094.7 Ų94.752%0.52450%0.502SS..Hα-helixtrans-66.7-42175.7-72.7172.2000111.7T365 A366 I367 T372 N373T365-L369 HydrophobicContact CG2-CD1 4.3Å; T365-L369 WeakPolarHBondContact O-CG 3.29Å; T365-L369 PolarHBondContact O-N 3.36Å; A366-L369 PolarHBondContact O-N 3.29Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.94Å; L369-T372 PolarHBondContact O-N 3.31Å; L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 2.9Å; L369-N373 PolarHBondContact O-ND2 3.19Å
370E97.6Very high97.6Very high141 Ų14195.6 Ų95.666%0.65951%0.51SS*.Hα-helixtrans-62-47.5177-173.1178.8177.700111.8A366 I367 N373 S374A366-E370 PolarHBondContact O-N 3.17Å; I367-E370 PolarHBondContact O-N 3.39Å; E370-N373 PolarHBondContact O-N 3.42Å; E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 3.48Å
371V98Very high97.6Very high80 Ų8097 Ų9749%0.48551%0.514SS..Hα-helixtrans-63.1-44.4177.2172.90000111.1I367 N373 S374 E375I367-V371 HydrophobicContact CG2-CG2 4.35Å; I367-V371 WeakPolarHBondContact O-CG2 3.35Å; I367-V371 PolarHBondContact O-N 3.5Å; V371-N373 PolarHBondContact O-N 3.25Å; V371-S374 PolarHBondContact O-N 2.99Å; V371-E375 WeakPolarHBondContact O-CB 3.49Å; V371-E375 PolarHBondContact O-N 3.31Å
372T97.6Very high97.6Very high73 Ų7398.9 Ų98.945%0.44852%0.516SS..Hα-helixtrans-64-42.9179.1-550000111.1L368 L369 E375 V376L368-T372 VanDerWaalsContact O-CB 3.3Å; L368-T372 WeakPolarHBondContact O-CB 3.42Å; L368-T372 PolarHBondContact O-N 3.39Å; L368-T372 PolarHBondContact O-OG1 2.77Å; L369-T372 PolarHBondContact O-N 3.31Å; T372-E375 PolarHBondContact O-N 2.98Å; T372-V376 HydrophobicContact CG2-CG2 4.47Å; T372-V376 WeakPolarHBondContact O-CB 3.4Å; T372-V376 VanDerWaalsContact O-CG2 3.26Å; T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.25Å
373N97.9Very high97.6Very high95 Ų9596.4 Ų96.451%0.50851%0.51SS..Hα-helixtrans-64.1-44.4177.8-71.8-15.2000111.3L369 E370 V371 E375 V376 E377L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 2.9Å; L369-N373 PolarHBondContact O-ND2 3.19Å; E370-N373 PolarHBondContact O-N 3.42Å; V371-N373 PolarHBondContact O-N 3.25Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.48Å; N373-V376 PolarHBondContact O-N 2.9Å; N373-E377 WeakPolarHBondContact O-CG 3.26Å; N373-E377 PolarHBondContact O-N 3.42Å
374S97.6Very high97.5Very high73 Ų7397.7 Ų97.751%0.5151%0.514SS..Hα-helixtrans-61.5-39.9176.3-177.60000112.4E370 V371 E377 A378E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 3.48Å; V371-S374 PolarHBondContact O-N 2.99Å; S374-E377 PolarHBondContact O-N 3.28Å; S374-A378 WeakPolarHBondContact O-CB 3.42Å; S374-A378 PolarHBondContact O-N 2.93Å
375E97.5Very high97.4Very high122 Ų12298.4 Ų98.457%0.5751%0.512SS*.Hα-helixtrans-68.3-41176.6-172.6171.2-170.300112V371 T372 N373 A378 I379V371-E375 WeakPolarHBondContact O-CB 3.49Å; V371-E375 PolarHBondContact O-N 3.31Å; T372-E375 PolarHBondContact O-N 2.98Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.48Å; E375-A378 PolarHBondContact O-N 3.28Å; E375-I379 HydrophobicContact CG-CD1 4.07Å; E375-I379 VanDerWaalsContact O-CG1 3.27Å; E375-I379 WeakPolarHBondContact O-CG1 3.45Å; E375-I379 PolarHBondContact O-N 2.84Å
376V98.1Very high97.2Very high76 Ų7698.5 Ų98.546%0.46151%0.508SS..Hα-helixtrans-61.8-44.9174.51700000110.9T372 N373 A378 I379 C380T372-V376 HydrophobicContact CG2-CG2 4.47Å; T372-V376 WeakPolarHBondContact O-CB 3.4Å; T372-V376 VanDerWaalsContact O-CG2 3.26Å; T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.25Å; N373-V376 PolarHBondContact O-N 2.9Å; V376-A378 PolarHBondContact O-N 3.35Å; V376-I379 PolarHBondContact O-N 3.3Å; V376-C380 WeakPolarHBondContact O-CB 3.47Å; V376-C380 PolarHBondContact O-N 3.06Å; V376-C380 PolarHBondContact O-SG 2.87Å
377E97.8Very high97Very high135 Ų135103 Ų10363%0.63152%0.519SS*.Hα-helixtrans-59.2-45.4174.8-75.1177.8-176.800111.8N373 S374 I379 C380 E381N373-E377 WeakPolarHBondContact O-CG 3.26Å; N373-E377 PolarHBondContact O-N 3.42Å; S374-E377 PolarHBondContact O-N 3.28Å; E377-I379 VanDerWaalsContact C-N 3.34Å; E377-I379 PolarHBondContact O-N 2.87Å; E377-C380 PolarHBondContact O-N 3.41Å; E377-E381 WeakPolarHBondContact O-CB 3.43Å; E377-E381 PolarHBondContact O-N 2.91Å
378A98.1Very high96.8Very high43 Ų43106.5 Ų106.536%0.35553%0.532SS..Hα-helixtrans-64-36.4177.800000112.9S374 E375 V376 R382S374-A378 WeakPolarHBondContact O-CB 3.42Å; S374-A378 PolarHBondContact O-N 2.93Å; E375-A378 PolarHBondContact O-N 3.28Å; V376-A378 PolarHBondContact O-N 3.35Å; A378-R382 VanDerWaalsContact O-CB 3.31Å; A378-R382 WeakPolarHBondContact O-CB 3.44Å; A378-R382 PolarHBondContact O-N 3.48Å
379I97.6Very high96.5Very high80 Ų80104.7 Ų104.741%0.4153%0.529SS..Hα-helixtrans-67.8-45.4174.4-69.4165.9000110.3E375 V376 E377 R382 K383E375-I379 HydrophobicContact CG-CD1 4.07Å; E375-I379 VanDerWaalsContact O-CG1 3.27Å; E375-I379 WeakPolarHBondContact O-CG1 3.45Å; E375-I379 PolarHBondContact O-N 2.84Å; V376-I379 PolarHBondContact O-N 3.3Å; E377-I379 VanDerWaalsContact C-N 3.34Å; E377-I379 PolarHBondContact O-N 2.87Å; I379-R382 PolarHBondContact O-N 2.97Å; I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 WeakPolarHBondContact O-CG 3.37Å; I379-K383 PolarHBondContact O-N 2.79Å
380C97.3Very high95.8Very high78 Ų78106.9 Ų106.953%0.52753%0.534SS..Hα-helixtrans-60.8-46.1177.3-740000111.7V376 E377 R382 K383 F384V376-C380 WeakPolarHBondContact O-CB 3.47Å; V376-C380 PolarHBondContact O-N 3.06Å; V376-C380 PolarHBondContact O-SG 2.87Å; E377-C380 PolarHBondContact O-N 3.41Å; C380-R382 PolarHBondContact O-N 3.29Å; C380-K383 PolarHBondContact O-N 3.42Å; C380-F384 WeakPolarHBondContact O-CB 3.31Å; C380-F384 PolarHBondContact O-N 3.14Å
381E97.8Very high94.9Very high106 Ų106103.1 Ų103.150%0.49553%0.533SS..Hα-helixtrans-62.8-42.6177.4-167.9-171.1172.800111.5E377 K383 F384 K385E377-E381 WeakPolarHBondContact O-CB 3.43Å; E377-E381 PolarHBondContact O-N 2.91Å; E381-K383 PolarHBondContact O-N 3.49Å; E381-F384 PolarHBondContact O-N 3.35Å; E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 2.93Å; E381-K385 WeakPolarHBondContact OE1-CE 3.43Å; E381-K385 IonicContact OE1-NZ 3.48Å; E381-K385 PolarHBondContact OE1-NZ 3.41Å
382R97Very high93.7Very high171 Ų171105.8 Ų105.865%0.64554%0.544SS*.Hα-helixtrans-62.2-43.2176.4-170.3-173.7-55.1160.36.6111.5A378 I379 C380 K385 E386A378-R382 VanDerWaalsContact O-CB 3.31Å; A378-R382 WeakPolarHBondContact O-CB 3.44Å; A378-R382 PolarHBondContact O-N 3.48Å; I379-R382 PolarHBondContact O-N 2.97Å; C380-R382 PolarHBondContact O-N 3.29Å; R382-K385 PolarHBondContact O-N 3.48Å; R382-E386 WeakPolarHBondContact O-CB 3.2Å; R382-E386 PolarHBondContact O-N 2.92Å
383K96.5Very high92.3Very high120 Ų120109.5 Ų109.552%0.52256%0.561SS.*Hα-helixtrans-66.8-41.8178.3-77.9-72.8166.9-157.90112.1I379 C380 E381 K385 E386 E387I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 WeakPolarHBondContact O-CG 3.37Å; I379-K383 PolarHBondContact O-N 2.79Å; C380-K383 PolarHBondContact O-N 3.42Å; E381-K383 PolarHBondContact O-N 3.49Å; K383-K385 PolarHBondContact O-N 3.29Å; K383-E386 IonicContact NZ-OE2 2.79Å; K383-E386 PolarHBondContact NZ-OE2 2.99Å; K383-E386 PolarHBondContact O-N 3.47Å; K383-E387 WeakPolarHBondContact O-CB 3.43Å; K383-E387 PolarHBondContact O-N 2.96Å
384F95.8Very high91Very high137 Ų137113.1 Ų113.160%0.60158%0.575SS**Hα-helixtrans-61.1-42.7174.6-176.1-101.6000112C380 E381 E387 K388C380-F384 WeakPolarHBondContact O-CB 3.31Å; C380-F384 PolarHBondContact O-N 3.14Å; E381-F384 PolarHBondContact O-N 3.35Å; F384-E387 PolarHBondContact O-N 3.2Å; F384-K388 WeakPolarHBondContact O-CB 3.42Å; F384-K388 PolarHBondContact O-N 3.49Å
385K95.8Very high89.7Confident121 Ų121117 Ų11753%0.52659%0.59SS.*Hα-helixtrans-65.8-42.5174.5-73.5177.2-175.2167.80112.5E381 R382 K383 E387 K388 S389E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 2.93Å; E381-K385 WeakPolarHBondContact OE1-CE 3.43Å; E381-K385 IonicContact OE1-NZ 3.48Å; E381-K385 PolarHBondContact OE1-NZ 3.41Å; R382-K385 PolarHBondContact O-N 3.48Å; K383-K385 PolarHBondContact O-N 3.29Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 3.47Å; K385-K388 PolarHBondContact O-N 3.47Å; K385-S389 PolarHBondContact O-N 3.18Å; K385-S389 PolarHBondContact O-OG 3.37Å
386E94.4Very high88.2Confident73 Ų73120.5 Ų120.534%0.34161%0.607SS.*Hα-helixtrans-62.3-38.1177.4-168.5-165.9157.200112R382 K383 S389 K390R382-E386 WeakPolarHBondContact O-CB 3.2Å; R382-E386 PolarHBondContact O-N 2.92Å; K383-E386 IonicContact NZ-OE2 2.79Å; K383-E386 PolarHBondContact NZ-OE2 2.99Å; K383-E386 PolarHBondContact O-N 3.47Å; E386-S389 PolarHBondContact O-OG 3.01Å; E386-K390 WeakPolarHBondContact O-CG 3.37Å; E386-K390 PolarHBondContact O-N 2.65Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 2.96Å
387E92.5Very high86.7Confident151 Ų151125.7 Ų125.771%0.70663%0.626SS**Hα-helixtrans-72-43.7176.6-172169.8-16600111.4K383 F384 K385 S389 K390K383-E387 WeakPolarHBondContact O-CB 3.43Å; K383-E387 PolarHBondContact O-N 2.96Å; F384-E387 PolarHBondContact O-N 3.2Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 3.47Å; E387-S389 VanDerWaalsContact C-N 3.32Å; E387-S389 PolarHBondContact O-N 2.95Å; E387-K390 PolarHBondContact O-N 3.22Å
388K92.8Very high84.9Confident148 Ų148127.2 Ų127.264%0.64364%0.638SS**Hα-helixtrans-61.8-38.1176.6-167.5176179.91780112.4F384 K385 K390 G391F384-K388 WeakPolarHBondContact O-CB 3.42Å; F384-K388 PolarHBondContact O-N 3.49Å; K385-K388 PolarHBondContact O-N 3.47Å; K388-K390 VanDerWaalsContact C-N 3.3Å; K388-K390 PolarHBondContact O-N 3.28Å; K388-G391 PolarHBondContact O-N 2.95Å
389S89.9Confident83Confident76 Ų76129 Ų12953%0.53166%0.661SS.*Hα-helixtrans-71.9-19178.259.60000114.3K385 E386 E387 G391K385-S389 PolarHBondContact O-N 3.18Å; K385-S389 PolarHBondContact O-OG 3.37Å; E386-S389 PolarHBondContact O-OG 3.01Å; E387-S389 VanDerWaalsContact C-N 3.32Å; E387-S389 PolarHBondContact O-N 2.95Å; S389-G391 VanDerWaalsContact C-N 3.33Å
390K85.2Confident81.3Confident146 Ų146131.3 Ų131.364%0.63568%0.684SS**THydrogen-bonded Turntrans-81.8-11.4179.2-77.8175.7-171.3164.80113.6E386 E387 K388E386-K390 WeakPolarHBondContact O-CG 3.37Å; E386-K390 PolarHBondContact O-N 2.65Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 2.96Å; E387-K390 PolarHBondContact O-N 3.22Å; K388-K390 VanDerWaalsContact C-N 3.3Å; K388-K390 PolarHBondContact O-N 3.28Å
391G77.8Confident79.3Confident62 Ų62133.3 Ų133.364%0.63970%0.699SS**SBendtrans-103.4-7.1-177.200000115.5K388 S389K388-G391 PolarHBondContact O-N 2.95Å; S389-G391 VanDerWaalsContact C-N 3.33Å
392D72.4Confident77.8Confident135 Ų135137.2 Ų137.272%0.72272%0.717SS**SBendtrans-105.23.5-170-138.914.8000113.5
393D69.3Low75.8Confident151 Ų151138.4 Ų138.481%0.80773%0.73SS**SBendtrans-1018.8-173-115.7-3.4000113.9
394E70Confident73.9Confident171 Ų171136.4 Ų136.480%0.79974%0.744SS**SBendtrans-105.6-4.9-174.9-64.2-86.4148.600114.5
395D69.3Low71.9Confident155 Ų155134.4 Ų134.483%0.82975%0.752SS**SBendtrans-114.76.6-169.1-76.4-28.6000116.9
396E66.8Low69.9Low195 Ų195134.8 Ų134.891%0.91177%0.77SS**SBendtrans-109.916.2-179.8-76.4-93.3155.300114.6
397Q66Low67.9Low186 Ų186134.9 Ų134.987%0.86979%0.791SS**  trans-100.529.1-178.3-144.3-172.82.600116.2
398D60.5Low66Low167 Ų167133.4 Ų133.489%0.89380%0.797SS**SBendtrans-126.6108172.8-90.2-34.5000113
399G57.8Low64.2Low80 Ų80133.3 Ų133.383%0.82580%0.804SS**  trans99.470.9144.900000117.8
400S61.7Low62.5Low129 Ų129140.8 Ų140.890%0.90282%0.82SS**  trans-138.586.7147.6-165.60000110.5
401S56.7Low61.1Low119 Ų119138.7 Ų138.783%0.83282%0.824SS**  trans-104.2105.6165.656.10000108.3
402E65.8Low60.2Low188 Ų188140.9 Ų140.988%0.87983%0.829SS**  trans-152.3143.2148-168.8168.9126.100109.9
403E54.4Low59.6Low197 Ų197143 Ų14392%0.92184%0.835SS**  trans-71.8144.6-158.2-56.6174.5137.200114
404G56.7Low58.6Low78 Ų78145.9 Ų145.980%0.80484%0.835SS**  trans-163.188.9173.200000111.6
405A53.1Low58Low94 Ų94143.3 Ų143.378%0.77783%0.831SS**  trans-68.6161.8-174.500000115
406S54.9Low57.4Low129 Ų129143.8 Ų143.890%0.90283%0.826SS**  trans76.3127.1168.979.50000115
407G51.3Low56.9Low76 Ų76145.4 Ų145.478%0.78482%0.823SS**  cis150.4110.611.500000105.5
408S54.6Low56.9Low119 Ų119142 Ų14283%0.83282%0.82SS**  trans-169.3101.9163.6-179.20000110.1
409D54.4Low56.8Low147 Ų147139 Ų13979%0.78681%0.812SS**  trans-43.5133.9155.7-73.9-58.9000111.8
410R54.7Low57.3Low232 Ų232140 Ų14088%0.87580%0.804SS**  167.6115.7114.6-90.5173.6173.2-175.1-1.9112.7
411S55Low57.6Low103 Ų103139.9 Ų139.972%0.7280%0.797SS**  72.7119.5127.9-68.30000121.6
412S58.1Low58Low107 Ų107143.5 Ų143.575%0.74880%0.799SS**  trans63.2128.5141.152.70000117.2
413E60.2Low57.9Low181 Ų181145.2 Ų145.285%0.84680%0.797SS**  -162.4134.152.3-156.8160.2143.500111.4T415E413-T415 PolarHBondContact O-N 3.34Å
414R48.9Very low58.8Low210 Ų210139.7 Ų139.779%0.79279%0.785SS**  trans-89.194.8-167.7-175.2-174.3-173.9-167.66.2109.8
415T56.3Low59.6Low118 Ų118142.1 Ų142.172%0.72479%0.787SS**  trans-101.196169.4-44.90000110.2E413 R417E413-T415 PolarHBondContact O-N 3.34Å; T415-R417 PolarHBondContact O-N 3.39Å
416K57.8Low60.5Low164 Ų164145.5 Ų145.571%0.71379%0.791SS**  trans-61.597.4168.6-65.9179178-179.50109.2
417R56.8Low61.7Low230 Ų230145.3 Ų145.387%0.86878%0.784SS**  trans-94.7100.2157.8-82-176.2164.5-162-3.1107.7T415 S419T415-R417 PolarHBondContact O-N 3.39Å; R417-S419 PolarHBondContact O-N 2.98Å
418S64.3Low63.1Low115 Ų115147.1 Ų147.180%0.80478%0.782SS**  trans-50.8123.1166.944.60000110.3
419S59.2Low64.3Low102 Ų102146.7 Ų146.771%0.71378%0.776SS**  trans-52.1140.4172.7-57.40000111.6R417 V421R417-S419 PolarHBondContact O-N 2.98Å; S419-V421 PolarHBondContact O-N 3.16Å; S419-V421 VanDerWaalsContact O-N 3.14Å
420P69.1Low65.3Low103 Ų103145.7 Ų145.767%0.66978%0.778SS**  trans-67.7113.8169.128.3-29.5000108F422P420-F422 PolarHBondContact O-N 3.39Å
421V68.4Low66.3Low125 Ų125140.3 Ų140.376%0.75878%0.776SS**  trans-62.3103.1164.5173.70000106.5S419 R423S419-V421 PolarHBondContact O-N 3.16Å; S419-V421 VanDerWaalsContact O-N 3.14Å; V421-R423 VanDerWaalsContact C-N 3.27Å; V421-R423 HydrophobicContact CG1-CG 4.28Å; V421-R423 PolarHBondContact O-N 3.5Å
422F64.8Low66.9Low195 Ų195144.4 Ų144.486%0.85578%0.781SS**  trans-60.694.8163.9-82.7-89.9000107.5P420 A424P420-F422 PolarHBondContact O-N 3.39Å; F422-A424 PolarHBondContact O-N 3.25Å
423R63.5Low67.1Low225 Ų225145.3 Ų145.385%0.84978%0.784SS**PPolyproline II helixtrans-70.2116.2164-78.5-170.6172.4-178.6-1.6106.9V421V421-R423 VanDerWaalsContact C-N 3.27Å; V421-R423 HydrophobicContact CG1-CG 4.28Å; V421-R423 PolarHBondContact O-N 3.5Å
424A72.6Confident67Low81 Ų81143 Ų14367%0.66978%0.783SS**PPolyproline II helixtrans-47.4144.5167.300000110.2F422 L426F422-A424 PolarHBondContact O-N 3.25Å; A424-L426 PolarHBondContact O-N 3.38Å; A424-L426 VanDerWaalsContact O-N 3.12Å
425P73.9Confident67.3Low128 Ų128138.2 Ų138.283%0.83178%0.781SS**PPolyproline II helixtrans-53.3121.8176.9-2130.3000109.9T427P425-T427 PolarHBondContact O-N 3.45Å
426L72.9Confident67.4Low166 Ų166138 Ų13887%0.86979%0.785SS**PPolyproline II helixtrans-58.1130.3171.2-76163.8000108.4A424A424-L426 PolarHBondContact O-N 3.38Å; A424-L426 VanDerWaalsContact O-N 3.12Å
427T80.1Confident67.1Low124 Ų124136.6 Ų136.676%0.76179%0.79SS**PPolyproline II helixtrans-57.2138.9173.241.50000109.9P425P425-T427 PolarHBondContact O-N 3.45Å
428P80.2Confident67Low114 Ų114136.6 Ų136.674%0.7479%0.79SS**PPolyproline II helixtrans-59.4143.9176.524.2-32.5000110.1
429P78.8Confident66.5Low110 Ų110140.4 Ų140.471%0.71479%0.792SS**PPolyproline II helixtrans-60.414517725.9-33.6000110.2S431P429-S431 PolarHBondContact O-N 3.17Å; P429-S431 VanDerWaalsContact O-N 3.12Å
430P77Confident66.3Low127 Ų127142.8 Ų142.883%0.82580%0.802SS**PPolyproline II helixtrans-60.8118.9-179.923.8-32.5000110.4K432P430-K432 PolarHBondContact O-N 3.4Å
431S75.6Confident65.4Low118 Ų118147.7 Ų147.783%0.82581%0.813SS**PPolyproline II helixtrans-59.6122.1171-22.90000108.4P429P429-S431 PolarHBondContact O-N 3.17Å; P429-S431 VanDerWaalsContact O-N 3.12Å
432K65.8Low64.7Low190 Ų190153.7 Ų153.783%0.82682%0.822SS**PPolyproline II helixtrans-56.1137.6175.5-68.3178.5178.8177.10109.8P430 T434P430-K432 PolarHBondContact O-N 3.4Å; K432-T434 PolarHBondContact O-N 3.5Å; K432-T434 VanDerWaalsContact O-N 3.13Å
433P64.2Low63.8Low125 Ų125147.5 Ų147.581%0.81281%0.813SS**  trans-68.8111.4172.327.3-31.3000109.1S435P433-S435 PolarHBondContact O-N 3.1Å
434T56.6Low63Low133 Ų133146 Ų14682%0.81682%0.816SS**  trans-74.8102.1160.645.40000107.4K432 S436K432-T434 PolarHBondContact O-N 3.5Å; K432-T434 VanDerWaalsContact O-N 3.13Å; T434-S436 PolarHBondContact O-N 3.42Å
435S56Low62.1Low109 Ų109148.8 Ų148.876%0.76282%0.82SS**  trans-63.196.4168.457.30000108.9P433P433-S435 PolarHBondContact O-N 3.1Å
436S58.7Low61.1Low115 Ų115148.1 Ų148.180%0.80481%0.809SS**  trans-94.196.2168.5-176.10000108.3T434T434-S436 PolarHBondContact O-N 3.42Å
437T51.4Low60Low133 Ų133146.7 Ų146.782%0.81680%0.802SS**  trans-68.5129.5178.6-19.90000109.7
438R53.9Low58.8Low231 Ų231145.9 Ų145.987%0.87280%0.802SS**  trans-58.1145.3179.9-73.7173.4174.3-179.4-2112.8
439K53.4Low57.5Low195 Ų195150.2 Ų150.285%0.84880%0.803SS**  trans15.4128.6137.7-68.2-177.8172.7178.90116.4
440T56.3Low56.4Low151 Ų151152.5 Ų152.593%0.92680%0.802SS**  -163.9134119.1190000110.2
441K50.4Low55.2Low207 Ų207155.8 Ų155.890%0.980%0.799SS**  trans-104.4109.8178.2170-174.5-178.51780106.2
442R51.9Low54.1Low251 Ų251159.4 Ų159.495%0.94780%0.796SS**  trans178.6141.6155-125.4177.6175.2-167.6-2.8112.9
443G46.8Very low53.3Low65 Ų65158.1 Ų158.167%0.6779%0.793SS**  trans78.1105.2154.200000114.1
444E47.6Very low52.7Low194 Ų194158.4 Ų158.491%0.90779%0.793SS**  54.6101.284.1-74.7-177.7145.500113.8
445N52.8Low52.3Low139 Ų139157.2 Ų157.274%0.74379%0.79SS**  86.9137.4127.5-14623.4000120.8
446D53.4Low52.3Low113 Ų113157.8 Ų157.860%0.60479%0.794SS**  trans65.1107152.9-82.6-44.2000122.3
447N50.2Low51.9Low137 Ų137161.7 Ų161.773%0.73379%0.791SS**  62114.4120.8-79.1-34.9000121.5
448S52.8Low52.1Low107 Ų107165.4 Ų165.475%0.74879%0.79SS**  trans93133.1130.784.70000119.4
449R53.4Low52.1Low205 Ų205165.2 Ų165.277%0.77479%0.789SS**  104.9108.6129.4-151.3172.9-148.9-154.75.5118.2
450K55.9Low52.1Low158 Ų158162.2 Ų162.269%0.68778%0.782SS**  trans73114.4138-71.2-177.2-179.5-169.20118.5
451Y51.7Low52.1Low196 Ų196163.3 Ų163.377%0.76977%0.774SS**  96.8146.176.8-102.9-89.7000112.9
452Y52.8Low52.5Low194 Ų194158.2 Ų158.276%0.76177%0.765SS**  trans93.6104.1171.8-57.2-72.3000116.9
453E48.7Very low52.4Low163 Ų163154.2 Ų154.276%0.76276%0.762SS**  71.7114.883.3-82.9-168.7144.600112.8
454T51.1Low52.7Low131 Ų131155.4 Ų155.480%0.80477%0.766SS**  174.612890.225.10000107.2
455S49.6Very low53.2Low108 Ų108155.7 Ų155.776%0.75576%0.764SS**  68.810373.1-162.80000116.5
456S54.7Low53Low120 Ų120157.3 Ų157.384%0.83977%0.767SS**  trans-170.492155.2-171.30000108.8
457R50.3Low53.1Low197 Ų197161 Ų16174%0.74378%0.78SS**  60.6110.675.5-89.2-168.6178.7-168.51.9117.6
458R55.6Low53Low211 Ų211165.5 Ų165.580%0.79679%0.787SS**  trans96.4114.9137.7-66175.5170.9-171.2-3.1120.2
459R54.5Low53.2Low228 Ų228165.8 Ų165.886%0.8679%0.789SS**  170.8119.6108.4-93.4178.6-173.7178.23.5108.9
460D52.8Low53.2Low131 Ų131161.6 Ų161.670%0.70179%0.79SS**  59.9127.694.7-86.8-11.8000111.7
461K57.1Low53Low174 Ų174161.2 Ų161.276%0.75780%0.796SS**  cis-178.2144.433.7-116.2163-171.4178.50110.2
462S57.7Low52.9Low101 Ų101157 Ų15771%0.70680%0.796SS**  trans50.6117.1141.753.50000121.1
463D50.3Low52.8Low167 Ų167155.7 Ų155.789%0.89379%0.794SS**  78.4116.681.8-104.1-28.5000114.8
464A53.3Low53.2Low89 Ų89157.2 Ų157.274%0.73679%0.793SS**  trans171.5115.7133.500000114.3
465K58.2Low53.1Low200 Ų200159.5 Ų159.587%0.8779%0.794SS**  trans79.6111131.2-65.9-177177.6-179.70122
466H48.5Very low53.6Low174 Ų174162.2 Ų162.281%0.80679%0.794SS**  trans-43.7143.2152.8-74.5-75.2000115.9
467H55.9Low53Low189 Ų189164.6 Ų164.688%0.87579%0.792SS**  trans-144.4117.5134.9-87-70.2000109.7
468R49Very low53.1Low233 Ų233161 Ų16188%0.87980%0.797SS**  trans-115.7116.5173.7-167.2-175.4-166-167.34.5105.5
469S56.5Low52.7Low113 Ų113156.1 Ų156.179%0.7980%0.795SS**  trans-138.8107.4174.3-570000109.6
470S52.5Low52.7Low116 Ų116156.9 Ų156.981%0.81180%0.798SS**  trans-67.8141.8168.6-48.40000110.3
471N52Low52.6Low150 Ų150158.4 Ų158.480%0.80281%0.806SS**  trans-125.6110.6164.8-164.214.7000109.1
472S49.8Very low52Low109 Ų109153.3 Ų153.376%0.76280%0.803SS**  trans-109.5115.7169.257.10000107.5
473F51.7Low51.5Low165 Ų165157.6 Ų157.672%0.72481%0.809SS**  trans-13099.6175.5-148.5-95.3000112.2
474R56Low51.5Low196 Ų196155.1 Ų155.174%0.7480%0.8SS**  trans42.5110.6139.6-68.3-174169.6-152.3-2.7119.8
475H48.5Very low51.2Low178 Ų178157.9 Ų157.982%0.82480%0.798SS**  trans-59.3131.9148.2-77.5-81.6000111.4
476H60.7Low51.1Low166 Ų166156.1 Ų156.177%0.76980%0.798SS**  trans-101.9109.5159.5-89.5-80.1000108.9
477H43Very low51Low169 Ų169153.2 Ų153.278%0.78279%0.788SS**  trans-71.5130.8159.7-68.6-82.9000108.5
478S52.3Low51Low122 Ų122154.1 Ų154.185%0.85379%0.79SS**  trans-125.998.1165.3-162.30000108.2
479S46.5Very low50.9Low108 Ų108149 Ų14976%0.75578%0.784SS**  trans-105.8122.1167.5-35.10000106.1
480R55.2Low50.8Low244 Ų244151.4 Ų151.492%0.92179%0.788SS**  trans-133110.4168.5-165.5170.3-179.9176.7-1110.3
481N49.5Very low50.4Low164 Ų164152 Ų15288%0.87778%0.782SS**  trans-67.2161.1173.8-77.1-8.2000114.1
482G44.3Very low50.5Low67 Ų67150.5 Ų150.569%0.69178%0.783SS**  trans125.3133.6154.300000112
483F47.7Very low50.2Low190 Ų190153.7 Ų153.783%0.83379%0.786SS**  cis-174.5152.516.1-145.4-110.5000108.4
484T49.6Very low50.2Low115 Ų115155.8 Ų155.871%0.70680%0.795SS**  trans61112.3159.647.20000119.2
485H47.6Very low50.2Low147 Ų147150.4 Ų150.468%0.68179%0.792SS**  60.5103.951.7-141-58.2000114.3D487H485-D487 IonicContact CE1-OD2 3.23Å; H485-D487 PolarHBondContact CE1-OD2 3.38Å
486D55.7Low50.6Low164 Ų164151.5 Ų151.588%0.87780%0.795SS**  trans-161.5134.7133.9-104.4-32000113.1
487D47.9Very low50.1Low113 Ų113153.5 Ų153.560%0.60480%0.801SS**  trans-68.3152.3-174.8-77.6-61.4000114.4H485H485-D487 IonicContact CE1-OD2 3.23Å; H485-D487 PolarHBondContact CE1-OD2 3.38Å
488K54.5Low50.4Low207 Ų207149.9 Ų149.990%0.980%0.8SS**  trans-166.888.6134.8-105.4162.8-169.8-177.50111.4
489V48.4Very low50.7Low125 Ų125153.7 Ų153.776%0.75880%0.801SS**  trans-77.2126.9154-167.50000106.5
490N52.7Low51Low165 Ų165158.1 Ų158.188%0.88281%0.807SS**  trans-134.1110.2162.3-122.46.5000110.1
491D45.1Very low51.3Low129 Ų129151.7 Ų151.769%0.6980%0.8SS**  trans-85.7134.1178.1-170.82.5000108.7
492S54.9Low51.5Low118 Ų118153.7 Ų153.783%0.82580%0.801SS**  trans-162.478.4161.253.50000112
493H43.4Very low52Low176 Ų176159.5 Ų159.582%0.81581%0.807SS**  trans-63.7124.2143.4-83.5-77.2000109.7
494K50.5Low52.5Low208 Ų208160.3 Ų160.390%0.90483%0.828SS**  trans179.5132.4144.1-105.9165.5-176.5175.90113.3
495A55.9Low52.7Low83 Ų83162.6 Ų162.669%0.68683%0.834SS**  trans90.6136.714200000117.4
496K57.9Low52.9Low202 Ų202163.4 Ų163.488%0.87884%0.842SS**  cis-164.41438.1-115.3163.2-173.1177.50109
497K48.9Very low52.8Low208 Ų208163.4 Ų163.490%0.90484%0.84SS**  trans-60.2156.9167.8-88.6173.2166.6173.40114
498A50.4Low53.1Low92 Ų92166.4 Ų166.476%0.7685%0.854SS**  trans89.5118.1137.400000120.9
499K58.5Low53Low202 Ų202163.8 Ų163.888%0.87885%0.851SS**  163.2112.6116.8-89.9172.8175.4-178.70107.2
500K51.8Low53.3Low201 Ų201166.4 Ų166.487%0.87486%0.858SS**  65.6101.356.5-154.2-179.5-168.1179.10113.8
501S61.6Low53.3Low110 Ų110166.5 Ų166.577%0.76986%0.856SS**  trans154.2106.1143.456.50000108.5
502F53.4Low54Low206 Ų206169.4 Ų169.490%0.90487%0.869SS**  49.910372.3-130.7-79.8000113.3
503K56.5Low53.9Low188 Ų188173.7 Ų173.782%0.81787%0.872SS**  -176.5133.5124.5-133.3161.8175.5174.50112.9
504T58Low54.9Low208 Ų208173.5 Ų173.5100%1.27688%0.877SS**  trans65.2016242.20000119

Retrieved 504 of 504 residues in 78.2 ms (Link to these results)