A0A096MYY8_PAPAN Loading...

Coiled-coil domain containing 174

AlphaFold DB , UniProt , Accession A0A096MYY8, Species PAPAN (Papio anubis, Olive baboon), Gene CCDC174, Length 467 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low67.8Low233 Ų233168.2 Ų168.2100%1.14881%0.81SS**  087.10-74.6-67.1-175.400107.8R3M1-R3 PolarHBondContact O-N 3.48Å
2D50.8Low69Low148 Ų148160.8 Ų160.879%0.79180%0.797SS**  trans-76.2118.8-174.8-65.8-31.8000111.2R4D2-R4 PolarHBondContact O-N 3.38Å
3R61Low70Confident245 Ų245154.2 Ų154.293%0.92578%0.776SS**  trans-84.985.2172.2-60.8-173.1-169-168.73.3109M1 K5M1-R3 PolarHBondContact O-N 3.48Å; R3-K5 PolarHBondContact O-N 2.9Å
4R63.9Low71.2Confident226 Ų226146.9 Ų146.985%0.85375%0.746SS**PPolyproline II helixtrans-65.9122.8169.5-61.7-167.6-165.6-171.75.7109D2 K6D2-R4 PolarHBondContact O-N 3.38Å; R4-K6 PolarHBondContact O-N 3.44Å
5K71.6Confident72.2Confident204 Ų204144.1 Ų144.189%0.88773%0.734SS**PPolyproline II helixtrans-64127.6176-64.6-179.4-178.4178.50108.6R3R3-K5 PolarHBondContact O-N 2.9Å
6K75Confident73.4Confident190 Ų190141.1 Ų141.183%0.82672%0.724SS**PPolyproline II helixtrans-69.1129.4174.9-63.7-178-179.1-1780108.6R4 L8R4-K6 PolarHBondContact O-N 3.44Å; K6-L8 PolarHBondContact O-N 3.05Å
7P71.1Confident74.2Confident126 Ų126139.2 Ų139.282%0.81872%0.716SS**PPolyproline II helixtrans-64.8128.9171.326.5-31000108.8
8L73.4Confident75.1Confident158 Ų158136.9 Ų136.983%0.82770%0.704SS**PPolyproline II helixtrans-80.6117.2173.1-69.7165.9000107.4K6 V10K6-L8 PolarHBondContact O-N 3.05Å; L8-V10 WeakPolarHBondContact O-CG2 3.39Å; L8-V10 PolarHBondContact O-N 3.01Å
9D71.7Confident76.1Confident160 Ų160138.1 Ų138.186%0.85670%0.704SS**  trans-79.4107.8172.5-167.814.6000108.2
10V80.3Confident76.9Confident82 Ų82134 Ų13450%0.49769%0.692SS.*  trans-102.6112.7-176-145.50000107.7L8 L15L8-V10 WeakPolarHBondContact O-CG2 3.39Å; L8-V10 PolarHBondContact O-N 3.01Å; V10-L15 HydrophobicContact CG1-CG 4.25Å
11T83.3Confident77.6Confident78 Ų78133.9 Ų133.948%0.47969%0.688SS.*  trans-70.1146176.158.60000110.2S13 S14 L15T11-S13 PolarHBondContact O-N 3.31Å; T11-S13 VanDerWaalsContact O-N 3.14Å; T11-S13 PolarHBondContact OG1-OG 2.87Å; T11-S14 WeakPolarHBondContact O-CB 3.48Å; T11-S14 PolarHBondContact O-N 3.29Å; T11-S14 WeakPolarHBondContact OG1-CB 3.39Å; T11-L15 PolarHBondContact O-N 3.28Å
12A82.8Confident80.1Confident80 Ų80128.1 Ų128.166%0.66166%0.661SS**Hα-helixtrans-57.5-31.1-178.700000113L15 V16A12-L15 PolarHBondContact O-N 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.49Å; A12-V16 PolarHBondContact O-N 3.45Å
13S82.2Confident82.1Confident74 Ų74126.4 Ų126.452%0.51765%0.647SS.*Hα-helixtrans-67-39.6173.956.90000112.6T11 L15 V16 D17T11-S13 PolarHBondContact O-N 3.31Å; T11-S13 VanDerWaalsContact O-N 3.14Å; T11-S13 PolarHBondContact OG1-OG 2.87Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.92Å; S13-V16 PolarHBondContact O-N 3Å; S13-V16 VanDerWaalsContact O-N 3.11Å; S13-D17 PolarHBondContact O-N 3.23Å
14S86Confident83.6Confident52 Ų52123 Ų12336%0.36463%0.634SS.*Hα-helixtrans-64.1-34177.4179.50000112.2T11 L18T11-S14 WeakPolarHBondContact O-CB 3.48Å; T11-S14 PolarHBondContact O-N 3.29Å; T11-S14 WeakPolarHBondContact OG1-CB 3.39Å; S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 PolarHBondContact O-N 2.88Å
15L87.1Confident85Confident106 Ų106118 Ų11856%0.55562%0.619SS**Hα-helixtrans-67.2-37.3173.1-88.8161.7000112.7V10 T11 A12 S13 K19V10-L15 HydrophobicContact CG1-CG 4.25Å; T11-L15 PolarHBondContact O-N 3.28Å; A12-L15 PolarHBondContact O-N 3.26Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.92Å; L15-K19 VanDerWaalsContact O-CB 3.28Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 PolarHBondContact O-N 3.21Å
16V90.7Very high86Confident95 Ų95113.1 Ų113.158%0.57660%0.599SS**Hα-helixtrans-69.6-42.7176.7175.30000110.7A12 S13 K19 A20A12-V16 WeakPolarHBondContact O-CG2 3.49Å; A12-V16 PolarHBondContact O-N 3.45Å; S13-V16 PolarHBondContact O-N 3Å; S13-V16 VanDerWaalsContact O-N 3.11Å; V16-K19 WeakPolarHBondContact O-CB 3.38Å; V16-K19 PolarHBondContact O-N 3.43Å; V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 2.91Å
17D87.9Confident86.8Confident110 Ų110108.6 Ų108.659%0.58858%0.581SS**Hα-helixtrans-63.5-44.6177.2-70.9-18.1000111.5S13 K19 A20 E21S13-D17 PolarHBondContact O-N 3.23Å; D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.86Å; D17-A20 VanDerWaalsContact O-N 3.15Å; D17-E21 WeakPolarHBondContact O-CB 3.4Å; D17-E21 PolarHBondContact O-N 3Å
18L90.3Very high87.6Confident97 Ų97106.6 Ų106.651%0.50856%0.561SS.*Hα-helixtrans-64-38.1176.7-166.9150.9000111.2S14 E21 L22S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.41Å; S14-L18 PolarHBondContact O-N 2.88Å; L18-E21 PolarHBondContact O-N 2.84Å; L18-L22 HydrophobicContact CD2-CD1 3.58Å; L18-L22 HydrophobicContact CD2-CG 4.04Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.88Å
19K93.3Very high88.3Confident159 Ų159105.3 Ų105.369%0.69155%0.549SS*.Hα-helixtrans-64.6-40.2173.7-175176.8-179.11790111.7L15 V16 D17 F23L15-K19 VanDerWaalsContact O-CB 3.28Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 PolarHBondContact O-N 3.21Å; V16-K19 WeakPolarHBondContact O-CB 3.38Å; V16-K19 PolarHBondContact O-N 3.43Å; D17-K19 VanDerWaalsContact C-N 3.3Å; D17-K19 PolarHBondContact O-N 3.2Å; K19-F23 WeakPolarHBondContact O-CB 3.31Å; K19-F23 PolarHBondContact O-N 3.43Å
20A92.6Very high89.1Confident57 Ų57103 Ų10347%0.47153%0.531SS..Hα-helixtrans-65.9-42.3176.400000111.5V16 D17 F23 R24V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 2.91Å; D17-A20 WeakPolarHBondContact O-CB 3.46Å; D17-A20 PolarHBondContact O-N 2.86Å; D17-A20 VanDerWaalsContact O-N 3.15Å; A20-F23 PolarHBondContact O-N 3.43Å; A20-R24 WeakPolarHBondContact O-CB 3.25Å; A20-R24 PolarHBondContact O-N 3.24Å
21E91.7Very high89.2Confident132 Ų132105.4 Ų105.462%0.61754%0.537SS*.Hα-helixtrans-67.4-41.2178.2-162.6172-163.200111.9D17 L18 F23 R24 K25D17-E21 WeakPolarHBondContact O-CB 3.4Å; D17-E21 PolarHBondContact O-N 3Å; L18-E21 PolarHBondContact O-N 2.84Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.39Å; E21-R24 PolarHBondContact O-N 3.01Å; E21-K25 WeakPolarHBondContact O-CB 3.42Å; E21-K25 WeakPolarHBondContact O-CG 3.22Å; E21-K25 PolarHBondContact O-N 3.28Å
22L94.6Very high89Confident111 Ų111106.4 Ų106.458%0.58154%0.536SS*.Hα-helixtrans-60.9-42.6171.3-78.9178.4000112.1L18 K25 Q26L18-L22 HydrophobicContact CD2-CD1 3.58Å; L18-L22 HydrophobicContact CD2-CG 4.04Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.88Å; L22-K25 PolarHBondContact O-N 3.4Å; L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 PolarHBondContact O-N 2.8Å
23F93.4Very high88.9Confident113 Ų113108.1 Ų108.150%0.49653%0.528SS..Hα-helixtrans-64.8-44178.7-167.5-95.3000111.4K19 A20 E21 K25 Q26 E27K19-F23 WeakPolarHBondContact O-CB 3.31Å; K19-F23 PolarHBondContact O-N 3.43Å; A20-F23 PolarHBondContact O-N 3.43Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.39Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 2.99Å; F23-Q26 VanDerWaalsContact O-N 3.13Å; F23-E27 HydrophobicContact CD1-CG 4.24Å; F23-E27 HydrophobicContact CE1-CG 3.96Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.38Å; F23-E27 PolarHBondContact O-N 3.12Å
24R92.9Very high88.4Confident173 Ų173110.5 Ų110.565%0.65354%0.535SS*.Hα-helixtrans-59.5-43.7174.9-166.1176.9-176.6164.64111.7A20 E21 Q26 E27 E28A20-R24 WeakPolarHBondContact O-CB 3.25Å; A20-R24 PolarHBondContact O-N 3.24Å; E21-R24 PolarHBondContact O-N 3.01Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 3.38Å; R24-E27 PolarHBondContact O-N 3.41Å; R24-E28 WeakPolarHBondContact O-CG 3.49Å; R24-E28 PolarHBondContact O-N 3.36Å
25K94Very high87.5Confident120 Ų120113.7 Ų113.752%0.52255%0.547SS..Hα-helixtrans-65.8-35175.2-74.2-73.7162.9-1560112.9E21 L22 F23 E28 F29E21-K25 WeakPolarHBondContact O-CB 3.42Å; E21-K25 WeakPolarHBondContact O-CG 3.22Å; E21-K25 PolarHBondContact O-N 3.28Å; L22-K25 PolarHBondContact O-N 3.4Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 WeakPolarHBondContact CE-OE2 3.4Å; K25-E28 IonicContact NZ-OE1 3.36Å; K25-E28 IonicContact NZ-OE2 3.73Å; K25-E28 PolarHBondContact NZ-OE2 2.9Å; K25-F29 WeakPolarHBondContact O-CB 3.31Å; K25-F29 PolarHBondContact O-N 3.42Å
26Q92.4Very high86.5Confident102 Ų102114.3 Ų114.348%0.47755%0.546SS..Hα-helixtrans-69.3-37.9175.3-168.3-178.8-0.700111.7L22 F23 R24 F29 K30L22-Q26 WeakPolarHBondContact O-CB 3.38Å; L22-Q26 PolarHBondContact O-N 2.8Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 2.99Å; F23-Q26 VanDerWaalsContact O-N 3.13Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-Q26 PolarHBondContact O-N 3.38Å; Q26-F29 PolarHBondContact O-N 2.89Å; Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.45Å
27E90.2Very high85.1Confident95 Ų95115.3 Ų115.344%0.44455%0.547SS..Hα-helixtrans-65.5-46.1172.4-75.3-171.9153.300112F23 R24 F29 K30 Q31F23-E27 HydrophobicContact CD1-CG 4.24Å; F23-E27 HydrophobicContact CE1-CG 3.96Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.38Å; F23-E27 PolarHBondContact O-N 3.12Å; R24-E27 PolarHBondContact O-N 3.41Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3Å; E27-K30 PolarHBondContact O-N 3.29Å; E27-K30 VanDerWaalsContact O-N 3.15Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.49Å
28E88.9Confident83.7Confident84 Ų84113.9 Ų113.939%0.39355%0.546SS..Hα-helixtrans-55.3-45.4173-74.6172.3-167.900111R24 K25 K30 Q31 E32R24-E28 WeakPolarHBondContact O-CG 3.49Å; R24-E28 PolarHBondContact O-N 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.47Å; K25-E28 WeakPolarHBondContact CE-OE2 3.4Å; K25-E28 IonicContact NZ-OE1 3.36Å; K25-E28 IonicContact NZ-OE2 3.73Å; K25-E28 PolarHBondContact NZ-OE2 2.9Å; E28-K30 PolarHBondContact O-N 3.46Å; E28-Q31 PolarHBondContact O-N 2.79Å; E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 PolarHBondContact O-N 2.8Å
29F88.3Confident82Confident132 Ų132112 Ų11258%0.57955%0.551SS**Hα-helixtrans-65.3-38.8177.4-176.8-98000112.7K25 Q26 E27 E32 K33K25-F29 WeakPolarHBondContact O-CB 3.31Å; K25-F29 PolarHBondContact O-N 3.42Å; Q26-F29 PolarHBondContact O-N 2.89Å; E27-F29 VanDerWaalsContact C-N 3.28Å; E27-F29 PolarHBondContact O-N 3Å; F29-E32 PolarHBondContact O-N 3.46Å; F29-K33 VanDerWaalsContact O-CB 3.26Å; F29-K33 WeakPolarHBondContact O-CB 3.26Å; F29-K33 PolarHBondContact O-N 3.38Å
30K88.2Confident80Confident110 Ų110109.3 Ų109.348%0.47855%0.547SS..Hα-helixtrans-65.2-42.7174.7-77174-178.6175.90111.4Q26 E27 E28 K33 L34Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 3.29Å; E27-K30 VanDerWaalsContact O-N 3.15Å; E28-K30 PolarHBondContact O-N 3.46Å; K30-K33 PolarHBondContact O-N 2.8Å; K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.44Å
31Q82.1Confident77.8Confident134 Ų134116.1 Ų116.163%0.62657%0.567SS**Hα-helixtrans-64.2-44.1175-72.1-167.6600111.4E27 E28 K33 L34 L35E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.49Å; E28-Q31 PolarHBondContact O-N 2.79Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.86Å; Q31-L34 PolarHBondContact O-N 3.43Å; Q31-L35 WeakPolarHBondContact O-CB 3.22Å; Q31-L35 PolarHBondContact O-N 3.13Å
32E79.6Confident75.8Confident99 Ų99112.3 Ų112.346%0.46356%0.562SS.*Hα-helixtrans-63.5-37.7176.3-163.4-166.2150.400111.5E28 F29 L35 K36E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 PolarHBondContact O-N 2.8Å; F29-E32 PolarHBondContact O-N 3.46Å; E32-L35 WeakPolarHBondContact O-CB 3.32Å; E32-L35 PolarHBondContact O-N 3.41Å; E32-K36 WeakPolarHBondContact O-CB 3.13Å; E32-K36 PolarHBondContact O-N 3.02Å; E32-K36 IonicContact OE1-NZ 3.99Å; E32-K36 PolarHBondContact OE1-NZ 2.98Å
33K81.4Confident73.9Confident115 Ų115116.8 Ų116.850%0.558%0.577SS.*Hα-helixtrans-65.7-44.7174.2-170.9-177.8176.7-173.30111.7F29 K30 Q31 L35 K36 D37F29-K33 VanDerWaalsContact O-CB 3.26Å; F29-K33 WeakPolarHBondContact O-CB 3.26Å; F29-K33 PolarHBondContact O-N 3.38Å; K30-K33 PolarHBondContact O-N 2.8Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 2.86Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.37Å; K33-K36 PolarHBondContact O-N 3.25Å; K33-K36 VanDerWaalsContact O-N 3.15Å; K33-D37 WeakPolarHBondContact CE-OD2 3.23Å; K33-D37 WeakPolarHBondContact O-CB 3.45Å; K33-D37 PolarHBondContact O-N 3.48Å
34L70.9Confident71.7Confident125 Ų125117 Ų11765%0.65459%0.59SS**Hα-helixtrans-61.2-39.3173.9-73174000111.8K30 Q31 K36 D37 S38K30-L34 WeakPolarHBondContact O-CG 3.46Å; K30-L34 PolarHBondContact O-N 3.44Å; Q31-L34 PolarHBondContact O-N 3.43Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-D37 PolarHBondContact O-N 3.16Å; L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 2.9Å; L34-S38 VanDerWaalsContact O-N 3.09Å
35L66.4Low69.7Low119 Ų119118.1 Ų118.162%0.62360%0.599SS**Hα-helixtrans-62.3-40.7173.6-117.6125.4000111.8Q31 E32 K33 S38Q31-L35 WeakPolarHBondContact O-CB 3.22Å; Q31-L35 PolarHBondContact O-N 3.13Å; E32-L35 WeakPolarHBondContact O-CB 3.32Å; E32-L35 PolarHBondContact O-N 3.41Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 3.37Å; L35-S38 PolarHBondContact O-OG 3.07Å
36K66.1Low67.6Low119 Ų119118.6 Ų118.652%0.51761%0.612SS.*Hα-helixtrans-70.5-38.1175.8-87.3167.7173156.20113.5E32 K33 L34 S38E32-K36 WeakPolarHBondContact O-CB 3.13Å; E32-K36 PolarHBondContact O-N 3.02Å; E32-K36 IonicContact OE1-NZ 3.99Å; E32-K36 PolarHBondContact OE1-NZ 2.98Å; K33-K36 PolarHBondContact O-N 3.25Å; K33-K36 VanDerWaalsContact O-N 3.15Å; L34-K36 VanDerWaalsContact C-N 3.35Å; K36-S38 VanDerWaalsContact C-N 3.3Å; K36-S38 PolarHBondContact O-N 2.94Å
37D61.9Low65.7Low115 Ų115118.4 Ų118.462%0.61562%0.618SS**Hα-helixtrans-75.7-17.9-179.3-71.6-16.1000112.1K33 L34 G39K33-D37 WeakPolarHBondContact CE-OD2 3.23Å; K33-D37 WeakPolarHBondContact O-CB 3.45Å; K33-D37 PolarHBondContact O-N 3.48Å; L34-D37 PolarHBondContact O-N 3.16Å; D37-G39 PolarHBondContact O-N 3.34Å; D37-G39 VanDerWaalsContact O-N 3.12Å
38S58.1Low64.1Low81 Ų81121.8 Ų121.857%0.56664%0.64SS**THydrogen-bonded Turntrans-7413.8173.973.30000115.6L34 L35 K36 V40L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 2.9Å; L34-S38 VanDerWaalsContact O-N 3.09Å; L35-S38 PolarHBondContact O-OG 3.07Å; K36-S38 VanDerWaalsContact C-N 3.3Å; K36-S38 PolarHBondContact O-N 2.94Å; S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.18Å
39G54.3Low63Low58 Ų58126.2 Ų126.260%0.59866%0.657SS**THydrogen-bonded Turntrans76.97170.700000115.7D37 F41D37-G39 PolarHBondContact O-N 3.34Å; D37-G39 VanDerWaalsContact O-N 3.12Å; G39-F41 PolarHBondContact O-N 3.43Å
40V51.2Low62Low102 Ų102129.3 Ų129.362%0.61867%0.671SS**  trans-85.294.7168.8-1750000107.6S38 G42S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.18Å; V40-G42 PolarHBondContact O-N 3.11Å
41F47Very low60.9Low200 Ų200128.3 Ų128.388%0.87768%0.676SS**  trans-39.8123.4172-88.1-94.2000110.8G39 K43G39-F41 PolarHBondContact O-N 3.43Å; F41-K43 PolarHBondContact O-N 2.95Å
42G49.2Very low60.4Low51 Ų51125.5 Ų125.553%0.52667%0.671SS.*  trans-50.7138.8-178.900000111.8V40 P44V40-G42 PolarHBondContact O-N 3.11Å; G42-P44 VanDerWaalsContact O-N 3.14Å
43K54.6Low59.7Low206 Ų206127.6 Ų127.690%0.89668%0.684SS**  trans-43.8123.7165.5-66.2-177.6178.3-1790108.1F41 K45F41-K43 PolarHBondContact O-N 2.95Å; K43-K45 PolarHBondContact O-N 3.49Å
44P49Very low59Low118 Ų118133.9 Ų133.977%0.76670%0.704SS**  trans-59.3131.117922.8-31.1000108.1G42 T46G42-P44 VanDerWaalsContact O-N 3.14Å; P44-T46 PolarHBondContact O-N 2.97Å
45K50.9Low59Low195 Ų195131.7 Ų131.785%0.84870%0.699SS**  trans-41.3128.4162.8-71.3176.6178.6176.70107.5K43 T47K43-K45 PolarHBondContact O-N 3.49Å; K45-T47 PolarHBondContact O-N 3.42Å
46T50.1Low59.4Low130 Ų130132.8 Ų132.880%0.79870%0.699SS**  trans-63.482.1178.454.50000109.5P44 N48P44-T46 PolarHBondContact O-N 2.97Å; T46-N48 PolarHBondContact O-N 3.44Å
47T51.2Low59.8Low98 Ų98132.7 Ų132.760%0.60170%0.701SS**  trans-68119.6157.665.80000104.7K45 K49K45-T47 PolarHBondContact O-N 3.42Å; T47-K49 PolarHBondContact O-N 2.84Å
48N56Low60.6Low166 Ų166133.5 Ų133.589%0.88871%0.705SS**  trans-5977.7175.2-68.5-60.5000110.5T46T46-N48 PolarHBondContact O-N 3.44Å
49K66.1Low61.8Low177 Ų177137 Ų13777%0.7772%0.723SS**PPolyproline II helixtrans-85.8121.3166.2-67.4-168.5-178.7-174.80105.8T47T47-K49 PolarHBondContact O-N 2.84Å
50K68.4Low63.2Low197 Ų197135.9 Ų135.986%0.85771%0.711SS**PPolyproline II helixtrans-48.6131.4173.3-62.4173.5-177.8177.80107.9S52K50-S52 PolarHBondContact O-N 2.81Å
51P64.3Low64.9Low90 Ų90134.2 Ų134.258%0.58470%0.701SS**PPolyproline II helixtrans-56.6128.4-179.622.6-32000108.8I53P51-I53 PolarHBondContact O-N 2.84Å
52S72.4Confident66.7Low74 Ų74127.6 Ų127.652%0.51768%0.679SS.*PPolyproline II helixtrans-52.7139.7177.4179.80000109.3K50 W54 S55K50-S52 PolarHBondContact O-N 2.81Å; S52-W54 PolarHBondContact O-N 3.29Å; S52-W54 VanDerWaalsContact O-N 3.08Å; S52-S55 WeakPolarHBondContact CB-OG 3.35Å; S52-S55 PolarHBondContact N-OG 2.91Å; S52-S55 VanDerWaalsContact N-OG 3.1Å; S52-S55 PolarHBondContact O-N 3.35Å; S52-S55 PolarHBondContact O-OG 2.84Å
53I64.1Low68.6Low144 Ų144130.6 Ų130.674%0.73868%0.683SS**G310 helixtrans-58.3-26.6-179.5-61.5164.4000110.5P51P51-I53 PolarHBondContact O-N 2.84Å
54W67.4Low70.3Confident247 Ų247129.2 Ų129.294%0.93667%0.673SS**G310 helixtrans-78.8-16.8174.4-113.2-87.6000115.4S52S52-W54 PolarHBondContact O-N 3.29Å; S52-W54 VanDerWaalsContact O-N 3.08Å
55S70.6Confident72.3Confident78 Ų78126.2 Ų126.255%0.54566%0.658SS.*G310 helixtrans-93.2-0.9176.953.90000113.6S52 Q57S52-S55 WeakPolarHBondContact CB-OG 3.35Å; S52-S55 PolarHBondContact N-OG 2.91Å; S52-S55 VanDerWaalsContact N-OG 3.1Å; S52-S55 PolarHBondContact O-N 3.35Å; S52-S55 PolarHBondContact O-OG 2.84Å; S55-Q57 PolarHBondContact O-N 3.49Å
56K73.8Confident74.2Confident143 Ų143122.5 Ų122.562%0.62264%0.643SS**  trans-78.899.7172.4-74.6-176.7178.6-176.80108.2
57Q75.1Confident76.2Confident117 Ų117123.2 Ų123.255%0.54764%0.635SS.*PPolyproline II helixtrans-59.1140.2168.8-171.1177.1-13.800109.4S55 V59 V61 S62S55-Q57 PolarHBondContact O-N 3.49Å; Q57-V59 PolarHBondContact O-N 3.11Å; Q57-V61 HydrophobicContact CG-CB 4.03Å; Q57-V61 HydrophobicContact CG-CG1 4.35Å; Q57-V61 VanDerWaalsContact NE2-CG1 3.3Å; Q57-S62 PolarHBondContact NE2-OG 3.46Å; Q57-S62 PolarHBondContact OE1-OG 3.43Å
58N79.3Confident78.2Confident131 Ų131122.2 Ų122.270%0.70163%0.626SS**PPolyproline II helixtrans-56.5135176.7-72.5-29.8000110.1G60 V61N58-G60 PolarHBondContact O-N 3.01Å; N58-V61 HydrophobicContact CB-CG2 3.67Å; N58-V61 WeakPolarHBondContact O-CG2 3.27Å; N58-V61 PolarHBondContact O-N 3.01Å; N58-V61 VanDerWaalsContact O-N 3.16Å
59V82.3Confident79.9Confident156 Ų156116.6 Ų116.695%0.94560%0.603SS**THydrogen-bonded Turntrans-57.2125.3179.5-1790000108.9Q57Q57-V59 PolarHBondContact O-N 3.11Å
60G83.8Confident81.2Confident34 Ų34113.1 Ų113.135%0.35159%0.589SS.*THydrogen-bonded Turntrans93.6-6.4178.200000116.1N58 R64N58-G60 PolarHBondContact O-N 3.01Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 2.98Å
61V86.4Confident82.3Confident66 Ų66108.4 Ų108.440%0.457%0.57SS.*Hα-helixtrans-67.5-40175.1176.50000111.4Q57 N58 R64 A65Q57-V61 HydrophobicContact CG-CB 4.03Å; Q57-V61 HydrophobicContact CG-CG1 4.35Å; Q57-V61 VanDerWaalsContact NE2-CG1 3.3Å; N58-V61 HydrophobicContact CB-CG2 3.67Å; N58-V61 WeakPolarHBondContact O-CG2 3.27Å; N58-V61 PolarHBondContact O-N 3.01Å; N58-V61 VanDerWaalsContact O-N 3.16Å; V61-R64 PolarHBondContact O-N 3.43Å; V61-A65 WeakPolarHBondContact O-CB 3.43Å; V61-A65 PolarHBondContact O-N 3.29Å
62S86.8Confident83.7Confident62 Ų62111 Ų11143%0.43457%0.573SS.*Hα-helixtrans-64.1-44.7176.5-52.10000111.8Q57 R64 A65 E66Q57-S62 PolarHBondContact NE2-OG 3.46Å; Q57-S62 PolarHBondContact OE1-OG 3.43Å; S62-R64 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.98Å; S62-A65 PolarHBondContact O-N 3.29Å; S62-E66 WeakPolarHBondContact O-CB 3.29Å; S62-E66 PolarHBondContact O-N 2.9Å
63N88.4Confident84.8Confident113 Ų113112 Ų11260%0.60457%0.571SS**Hα-helixtrans-64.9-36.5178.1-61.9-1.6000111.7K67N63-K67 WeakPolarHBondContact O-CB 3.5Å; N63-K67 PolarHBondContact O-N 3.25Å
64R89.8Confident86.1Confident178 Ų178111.1 Ų111.167%0.67256%0.564SS**Hα-helixtrans-67-44.3174-170.3-179.2-60.3-179.7-0.3111.3G60 V61 S62 E66 K67 D68G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 PolarHBondContact O-N 2.98Å; V61-R64 PolarHBondContact O-N 3.43Å; S62-R64 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.98Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 2.97Å; R64-K67 PolarHBondContact O-N 2.99Å; R64-D68 WeakPolarHBondContact O-CB 3.43Å; R64-D68 PolarHBondContact O-N 3.16Å
65A92.1Very high87.5Confident55 Ų55104.1 Ų104.146%0.45554%0.541SS..Hα-helixtrans-64.1-37.3177.400000112.6V61 S62 A69V61-A65 WeakPolarHBondContact O-CB 3.43Å; V61-A65 PolarHBondContact O-N 3.29Å; S62-A65 PolarHBondContact O-N 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.78Å
66E90.1Very high88.6Confident116 Ų116105 Ų10554%0.54254%0.537SS..Hα-helixtrans-64.1-47.6173.3-175.1171.7-157.100110.8S62 R64 D68 A69 E70S62-E66 WeakPolarHBondContact O-CB 3.29Å; S62-E66 PolarHBondContact O-N 2.9Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 2.97Å; E66-D68 PolarHBondContact O-N 2.86Å; E66-A69 WeakPolarHBondContact O-CB 3.33Å; E66-A69 PolarHBondContact O-N 3.47Å; E66-A69 VanDerWaalsContact O-N 3.13Å; E66-E70 WeakPolarHBondContact O-CG 3.42Å; E66-E70 PolarHBondContact O-N 3.11Å
67K91.1Very high89.7Confident145 Ų145104 Ų10463%0.6353%0.532SS*.Hα-helixtrans-62-41.3176.2-169175.2-178.31780112.9N63 R64 A69 E70 Q71N63-K67 WeakPolarHBondContact O-CB 3.5Å; N63-K67 PolarHBondContact O-N 3.25Å; R64-K67 PolarHBondContact O-N 2.99Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.23Å; K67-E70 PolarHBondContact O-N 3.15Å; K67-Q71 WeakPolarHBondContact O-CB 3.43Å; K67-Q71 PolarHBondContact O-N 3.3Å
68D93.4Very high90.7Very high78 Ų78102.7 Ų102.742%0.41753%0.533SS..Hα-helixtrans-65.2-34.4175.7-67.1-16.2000111.2R64 E66 K72R64-D68 WeakPolarHBondContact O-CB 3.43Å; R64-D68 PolarHBondContact O-N 3.16Å; E66-D68 PolarHBondContact O-N 2.86Å; D68-K72 WeakPolarHBondContact O-CG 3.32Å; D68-K72 PolarHBondContact O-N 2.92Å; D68-K72 VanDerWaalsContact O-N 3.11Å
69A93.1Very high91.4Very high48 Ų48101.6 Ų101.640%0.39753%0.526SS..Hα-helixtrans-70.7-43.217500000111.7A65 E66 K67 K72 I73A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.78Å; E66-A69 WeakPolarHBondContact O-CB 3.33Å; E66-A69 PolarHBondContact O-N 3.47Å; E66-A69 VanDerWaalsContact O-N 3.13Å; K67-A69 VanDerWaalsContact C-N 3.29Å; K67-A69 PolarHBondContact O-N 3.23Å; A69-K72 PolarHBondContact O-N 3.38Å; A69-I73 WeakPolarHBondContact O-CD1 3.41Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.24Å
70E92.1Very high92.1Very high103 Ų10398 Ų9848%0.48150%0.502SS..Hα-helixtrans-59.3-46.8173.8-72.6178.3167.500111.3E66 K67 K72 I73 E74E66-E70 WeakPolarHBondContact O-CG 3.42Å; E66-E70 PolarHBondContact O-N 3.11Å; K67-E70 PolarHBondContact O-N 3.15Å; E70-K72 PolarHBondContact O-N 2.95Å; E70-I73 WeakPolarHBondContact O-CB 3.36Å; E70-I73 PolarHBondContact O-N 2.89Å; E70-I73 VanDerWaalsContact O-N 3.11Å; E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.14Å
71Q92.1Very high92.7Very high98 Ų98102.5 Ų102.546%0.45851%0.512SS..Hα-helixtrans-59.6-44.9177.7-174.7177.8-8.300111.8K67 I73 E74 E75K67-Q71 WeakPolarHBondContact O-CB 3.43Å; K67-Q71 PolarHBondContact O-N 3.3Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.19Å; Q71-E74 PolarHBondContact O-N 3.01Å; Q71-E75 HydrophobicContact CG-CG 4.45Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.42Å; Q71-E75 PolarHBondContact NE2-OE1 3.42Å; Q71-E75 WeakPolarHBondContact O-CB 3.29Å; Q71-E75 WeakPolarHBondContact O-CG 3.36Å; Q71-E75 PolarHBondContact O-N 3.38Å
72K93.8Very high93.2Very high146 Ų146101.7 Ų101.764%0.63551%0.512SS*.Hα-helixtrans-61.3-36.8175.7-76.9177.3-179.4-178.60112.7D68 A69 E70 Q76D68-K72 WeakPolarHBondContact O-CG 3.32Å; D68-K72 PolarHBondContact O-N 2.92Å; D68-K72 VanDerWaalsContact O-N 3.11Å; A69-K72 PolarHBondContact O-N 3.38Å; E70-K72 PolarHBondContact O-N 2.95Å; K72-Q76 WeakPolarHBondContact O-CB 3.34Å; K72-Q76 PolarHBondContact O-N 3.33Å
73I94.5Very high93.7Very high94 Ų94107.3 Ų107.348%0.48252%0.524SS..Hα-helixtrans-68.4-40.1177.1-67.4161.8000110.6A69 E70 Q71 K77A69-I73 WeakPolarHBondContact O-CD1 3.41Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.24Å; E70-I73 WeakPolarHBondContact O-CB 3.36Å; E70-I73 PolarHBondContact O-N 2.89Å; E70-I73 VanDerWaalsContact O-N 3.11Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.19Å; I73-K77 HydrophobicContact CG2-CD 4.27Å; I73-K77 VanDerWaalsContact O-CG 3.27Å; I73-K77 WeakPolarHBondContact O-CG 3.45Å; I73-K77 PolarHBondContact O-N 3.47Å
74E93.1Very high94.1Very high125 Ų125107.3 Ų107.358%0.58452%0.52SS*.Hα-helixtrans-67.1-42.2176.2-70.6-176.3174.700112.6E70 Q71 K77 T78E70-E74 WeakPolarHBondContact O-CG 3.44Å; E70-E74 PolarHBondContact O-N 3.14Å; Q71-E74 PolarHBondContact O-N 3.01Å; E74-K77 PolarHBondContact O-N 2.65Å; E74-T78 PolarHBondContact O-N 3.42Å; E74-T78 PolarHBondContact O-OG1 3.42Å
75E95.3Very high94.5Very high100 Ų100105.9 Ų105.947%0.46752%0.519SS..Hα-helixtrans-60.6-46.8173.7-74.3174.1-17100110.7Q71 K77 T78 L79Q71-E75 HydrophobicContact CG-CG 4.45Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.42Å; Q71-E75 PolarHBondContact NE2-OE1 3.42Å; Q71-E75 WeakPolarHBondContact O-CB 3.29Å; Q71-E75 WeakPolarHBondContact O-CG 3.36Å; Q71-E75 PolarHBondContact O-N 3.38Å; E75-K77 PolarHBondContact O-N 2.94Å; E75-T78 WeakPolarHBondContact O-CA 3.4Å; E75-T78 WeakPolarHBondContact O-CB 3.45Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.27Å
76Q95Very high94.7Very high98 Ų98109 Ų10946%0.45853%0.527SS..Hα-helixtrans-60.6-45.3177.4-170.561.738.600111.9K72 T78 L79 D80K72-Q76 WeakPolarHBondContact O-CB 3.34Å; K72-Q76 PolarHBondContact O-N 3.33Å; Q76-T78 PolarHBondContact O-N 3.21Å; Q76-L79 PolarHBondContact O-N 3.04Å; Q76-D80 PolarHBondContact NE2-OD1 2.84Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.12Å
77K96.1Very high94.9Very high120 Ų120108.1 Ų108.152%0.52252%0.523SS..Hα-helixtrans-59-33.9174.6-74.7170-178.1172.20112.4I73 E74 E75 K81I73-K77 HydrophobicContact CG2-CD 4.27Å; I73-K77 VanDerWaalsContact O-CG 3.27Å; I73-K77 WeakPolarHBondContact O-CG 3.45Å; I73-K77 PolarHBondContact O-N 3.47Å; E74-K77 PolarHBondContact O-N 2.65Å; E75-K77 PolarHBondContact O-N 2.94Å; K77-K81 VanDerWaalsContact O-CG 3.26Å; K77-K81 WeakPolarHBondContact O-CG 3.5Å; K77-K81 PolarHBondContact O-N 3.05Å; K77-K81 VanDerWaalsContact O-N 3.16Å
78T95.4Very high95.1Very high90 Ų90106.6 Ų106.655%0.55252%0.518SS*.Hα-helixtrans-73.3-41.6178.3-56.20000111.1E74 E75 Q76 K81 A82E74-T78 PolarHBondContact O-N 3.42Å; E74-T78 PolarHBondContact O-OG1 3.42Å; E75-T78 WeakPolarHBondContact O-CA 3.4Å; E75-T78 WeakPolarHBondContact O-CB 3.45Å; E75-T78 PolarHBondContact O-N 3.21Å; Q76-T78 PolarHBondContact O-N 3.21Å; T78-K81 PolarHBondContact O-N 3.4Å; T78-A82 PolarHBondContact O-N 3.48Å
79L95.1Very high95.1Very high109 Ų109110 Ų11057%0.57153%0.53SS*.Hα-helixtrans-62.9-42.9173.7-67.9-179.9000111.9E75 Q76 K81 A82 R83E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.27Å; Q76-L79 PolarHBondContact O-N 3.04Å; L79-K81 PolarHBondContact O-N 3.24Å; L79-A82 PolarHBondContact O-N 3.11Å; L79-R83 WeakPolarHBondContact O-CB 3.34Å; L79-R83 PolarHBondContact O-N 2.96Å
80D96Very high95.1Very high79 Ų79110.1 Ų110.142%0.42253%0.53SS..Hα-helixtrans-63.4-42.6178.9-65.8-21.7000110.9Q76 A82 R83 E84Q76-D80 PolarHBondContact NE2-OD1 2.84Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.12Å; D80-A82 PolarHBondContact O-N 3.22Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 3.31Å; D80-E84 WeakPolarHBondContact O-CB 3.49Å; D80-E84 PolarHBondContact O-N 3.36Å
81K96.9Very high95.1Very high129 Ų129110.2 Ų110.256%0.56153%0.529SS*.Hα-helixtrans-62-40.6173-74.9171.8-177.2177.90112.9K77 T78 L79 R83 K85K77-K81 VanDerWaalsContact O-CG 3.26Å; K77-K81 WeakPolarHBondContact O-CG 3.5Å; K77-K81 PolarHBondContact O-N 3.05Å; K77-K81 VanDerWaalsContact O-N 3.16Å; T78-K81 PolarHBondContact O-N 3.4Å; L79-K81 PolarHBondContact O-N 3.24Å; K81-R83 VanDerWaalsContact C-N 3.34Å; K81-K85 WeakPolarHBondContact O-CG 3.37Å; K81-K85 PolarHBondContact O-N 2.91Å; K81-K85 VanDerWaalsContact O-N 3.13Å
82A97.1Very high95Very high50 Ų50109.2 Ų109.241%0.41353%0.526SS..Hα-helixtrans-65.9-40.617700000110.9T78 L79 D80 K85 L86T78-A82 PolarHBondContact O-N 3.48Å; L79-A82 PolarHBondContact O-N 3.11Å; D80-A82 PolarHBondContact O-N 3.22Å; A82-K85 PolarHBondContact O-N 2.98Å; A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.48Å
83R97.4Very high94.8Very high179 Ų179107.2 Ų107.268%0.67552%0.516SS*.Hα-helixtrans-63.6-45.3176.1-173.4178.8-177.1162.12.8112L79 D80 K81 K85 L86 E87L79-R83 WeakPolarHBondContact O-CB 3.34Å; L79-R83 PolarHBondContact O-N 2.96Å; D80-R83 WeakPolarHBondContact O-CB 3.27Å; D80-R83 PolarHBondContact O-N 3.31Å; K81-R83 VanDerWaalsContact C-N 3.34Å; R83-K85 PolarHBondContact O-N 2.81Å; R83-L86 PolarHBondContact O-N 2.94Å; R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 PolarHBondContact O-N 2.88Å
84E97.2Very high94.5Very high113 Ų113107.4 Ų107.453%0.52851%0.514SS..Hα-helixtrans-57.6-49.1176.1-177178.5-163.200111D80 L86 E87 E88D80-E84 WeakPolarHBondContact O-CB 3.49Å; D80-E84 PolarHBondContact O-N 3.36Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.96Å; E84-E87 WeakPolarHBondContact O-CB 3.26Å; E84-E87 PolarHBondContact O-N 3.41Å; E84-E87 VanDerWaalsContact O-N 3.14Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 2.89Å
85K96.8Very high94.3Very high148 Ų148106.5 Ų106.564%0.64351%0.508SS*.Hα-helixtrans-62.4-37.6176.8-73.3-173177.2-172.40113.4K81 A82 R83 E87 K89K81-K85 WeakPolarHBondContact O-CG 3.37Å; K81-K85 PolarHBondContact O-N 2.91Å; K81-K85 VanDerWaalsContact O-N 3.13Å; A82-K85 PolarHBondContact O-N 2.98Å; R83-K85 PolarHBondContact O-N 2.81Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-K89 WeakPolarHBondContact O-CB 3.33Å; K85-K89 PolarHBondContact O-N 3.07Å
86L96Very high93.8Very high121 Ų121102.7 Ų102.763%0.63449%0.491SS*.Hα-helixtrans-66.6-39.1175.3-78.5173.1000111.4A82 R83 E84 K89 A90A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.48Å; R83-L86 PolarHBondContact O-N 2.94Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.96Å; L86-K89 PolarHBondContact O-N 3.44Å; L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.96Å
87E95.9Very high93.3Very high98 Ų98100 Ų10046%0.45848%0.481SS..Hα-helixtrans-66.8-41.9175.5-167.9-175.615300111.6R83 E84 K85 K89 A90 K91R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 PolarHBondContact O-N 2.88Å; E84-E87 WeakPolarHBondContact O-CB 3.26Å; E84-E87 PolarHBondContact O-N 3.41Å; E84-E87 VanDerWaalsContact O-N 3.14Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-K89 VanDerWaalsContact C-N 3.35Å; E87-K89 PolarHBondContact O-N 3.23Å; E87-A90 PolarHBondContact O-N 3.02Å; E87-K91 HydrophobicContact CG-CD 4.42Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.88Å; E87-K91 WeakPolarHBondContact OE1-CE 3.47Å; E87-K91 IonicContact OE1-NZ 3.76Å; E87-K91 PolarHBondContact OE1-NZ 3.19Å
88E95Very high92.8Very high112 Ų112100.8 Ų100.852%0.52349%0.485SS..Hα-helixtrans-59.6-44.9172.6-72.3-179.9159.400111.7E84 K91 L92E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 2.89Å; E88-K91 PolarHBondContact O-N 3.46Å; E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 3.33Å
89K92.7Very high91.9Very high151 Ų15198.2 Ų98.266%0.65748%0.476SS*.Hα-helixtrans-64.5-40.7176.4-173.1177.1179.6179.40111.7K85 L86 E87 L92 Y93K85-K89 WeakPolarHBondContact O-CB 3.33Å; K85-K89 PolarHBondContact O-N 3.07Å; L86-K89 PolarHBondContact O-N 3.44Å; E87-K89 VanDerWaalsContact C-N 3.35Å; E87-K89 PolarHBondContact O-N 3.23Å; K89-L92 PolarHBondContact O-N 3.2Å; K89-Y93 WeakPolarHBondContact O-CB 3.12Å; K89-Y93 PolarHBondContact O-N 3.14Å
90A94.3Very high90.9Very high49 Ų4998.1 Ų98.141%0.40548%0.476SS..Hα-helixtrans-63.8-44.6175.700000111.1L86 E87 L92 Y93 E94L86-A90 VanDerWaalsContact O-CB 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.96Å; E87-A90 PolarHBondContact O-N 3.02Å; A90-L92 PolarHBondContact O-N 3.18Å; A90-Y93 PolarHBondContact O-N 2.97Å; A90-E94 PolarHBondContact O-N 2.75Å
91K92.4Very high89.6Confident106 Ų10696.9 Ų96.946%0.46147%0.467SS..Hα-helixtrans-60.4-43174.2-75.9171.9-177.3164.40111.9E87 E88 E94 K95E87-K91 HydrophobicContact CG-CD 4.42Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.88Å; E87-K91 WeakPolarHBondContact OE1-CE 3.47Å; E87-K91 IonicContact OE1-NZ 3.76Å; E87-K91 PolarHBondContact OE1-NZ 3.19Å; E88-K91 PolarHBondContact O-N 3.46Å; K91-E94 PolarHBondContact O-N 3.15Å; K91-K95 WeakPolarHBondContact O-CG 3.32Å; K91-K95 PolarHBondContact O-N 2.81Å
92L89.4Confident88.2Confident77 Ų7797.3 Ų97.340%0.40347%0.474SS..Hα-helixtrans-61.4-46.5175.9-178.364000110.8E88 K89 A90 K95 M96E88-L92 WeakPolarHBondContact O-CB 3.48Å; E88-L92 PolarHBondContact O-N 3.33Å; K89-L92 PolarHBondContact O-N 3.2Å; A90-L92 PolarHBondContact O-N 3.18Å; L92-K95 PolarHBondContact O-N 3.43Å; L92-M96 HydrophobicContact CD2-CE 4.42Å; L92-M96 HydrophobicContact CG-CE 3.88Å; L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.4Å
93Y88.3Confident86.6Confident104 Ų10499.9 Ų99.941%0.40848%0.481SS..Hα-helixtrans-62.3-44176.4-171.5-94.2000111.9K89 A90 K95 M96 T97 F114 K117K89-Y93 WeakPolarHBondContact O-CB 3.12Å; K89-Y93 PolarHBondContact O-N 3.14Å; A90-Y93 PolarHBondContact O-N 2.97Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 2.93Å; Y93-M96 HydrophobicContact CD2-CE 4.43Å; Y93-M96 PolarHBondContact O-N 2.89Å; Y93-T97 HydrophobicContact CD1-CG2 3.81Å; Y93-T97 HydrophobicContact CE1-CG2 3.41Å; Y93-T97 VanDerWaalsContact CE1-CG2 3.41Å; Y93-T97 HydrophobicContact CE2-CG2 4.39Å; Y93-T97 HydrophobicContact CG-CG2 4.45Å; Y93-T97 WeakPolarHBondContact O-CG2 3.36Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y93-T97 VanDerWaalsContact O-OG1 3.08Å; Y93-F114 AromaticContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CZ 4.15Å; Y93-F114 AromaticContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CZ 4.01Å; Y93-K117 PolarHBondContact OH-NZ 2.88Å
94E89.9Confident85.2Confident98 Ų9899.5 Ų99.546%0.45849%0.487SS..Hα-helixtrans-57.5-44.4174.4-82.3-169.5-152.900112.2A90 K91 T97 K98A90-E94 PolarHBondContact O-N 2.75Å; K91-E94 PolarHBondContact O-N 3.15Å; E94-T97 WeakPolarHBondContact CA-OG1 3.31Å; E94-T97 PolarHBondContact O-N 3.29Å; E94-T97 PolarHBondContact O-OG1 2.93Å; E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 WeakPolarHBondContact O-CD 2.88Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.5Å; E94-K98 IonicContact OE2-NZ 2.55Å; E94-K98 PolarHBondContact OE2-NZ 2.79Å
95K87.9Confident83.8Confident105 Ų105102.3 Ų102.346%0.45750%0.5SS..Hα-helixtrans-60.1-49176.1-73.5178.4178.4-169.80111.8K91 L92 Y93 T97 K98 G99 D100K91-K95 WeakPolarHBondContact O-CG 3.32Å; K91-K95 PolarHBondContact O-N 2.81Å; L92-K95 PolarHBondContact O-N 3.43Å; Y93-K95 VanDerWaalsContact C-N 3.33Å; Y93-K95 PolarHBondContact O-N 2.93Å; K95-T97 VanDerWaalsContact C-N 3.33Å; K95-T97 PolarHBondContact O-N 2.92Å; K95-K98 PolarHBondContact O-N 3.18Å; K95-G99 PolarHBondContact O-N 3.32Å; K95-D100 PolarHBondContact O-N 3.07Å
96M85.4Confident82.4Confident20 Ų2097.8 Ų97.810%0.09948%0.484CS..Hα-helixtrans-60.3-42.2176.9-67.8-176.8-65.900111.5L92 Y93 K98 G99 F101 Y110 F114L92-M96 HydrophobicContact CD2-CE 4.42Å; L92-M96 HydrophobicContact CG-CE 3.88Å; L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.4Å; Y93-M96 HydrophobicContact CD2-CE 4.43Å; Y93-M96 PolarHBondContact O-N 2.89Å; M96-K98 VanDerWaalsContact C-N 3.28Å; M96-K98 PolarHBondContact O-N 2.8Å; M96-G99 PolarHBondContact O-N 3.45Å; M96-F101 HydrophobicContact CB-CE1 4.36Å; M96-Y110 HydrophobicContact SD-CD2 4.18Å; M96-Y110 HydrophobicContact SD-CE1 4.4Å; M96-Y110 HydrophobicContact SD-CE2 3.77Å; M96-F114 HydrophobicContact CB-CD1 3.8Å; M96-F114 HydrophobicContact CB-CD2 4.13Å; M96-F114 HydrophobicContact CB-CE1 3.92Å; M96-F114 HydrophobicContact CB-CE2 4.24Å; M96-F114 HydrophobicContact CB-CG 3.91Å; M96-F114 HydrophobicContact CB-CZ 4.14Å; M96-F114 HydrophobicContact CE-CE1 4.42Å; M96-F114 HydrophobicContact CE-CE2 4.12Å; M96-F114 HydrophobicContact CE-CZ 3.78Å; M96-F114 HydrophobicContact SD-CD2 4.2Å; M96-F114 HydrophobicContact SD-CE2 3.69Å; M96-F114 HydrophobicContact SD-CZ 3.96Å
97T84.9Confident81.2Confident41 Ų4193.6 Ų93.625%0.25246%0.462SS..Hα-helixtrans-73.3-14176.259.30000114.9Y93 E94 K95 F114 I118Y93-T97 HydrophobicContact CD1-CG2 3.81Å; Y93-T97 HydrophobicContact CE1-CG2 3.41Å; Y93-T97 VanDerWaalsContact CE1-CG2 3.41Å; Y93-T97 HydrophobicContact CE2-CG2 4.39Å; Y93-T97 HydrophobicContact CG-CG2 4.45Å; Y93-T97 WeakPolarHBondContact O-CG2 3.36Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.09Å; Y93-T97 VanDerWaalsContact O-OG1 3.08Å; E94-T97 WeakPolarHBondContact CA-OG1 3.31Å; E94-T97 PolarHBondContact O-N 3.29Å; E94-T97 PolarHBondContact O-OG1 2.93Å; K95-T97 VanDerWaalsContact C-N 3.33Å; K95-T97 PolarHBondContact O-N 2.92Å; T97-F114 HydrophobicContact CG2-CD1 4.2Å; T97-F114 HydrophobicContact CG2-CE1 4.28Å; T97-I118 VanDerWaalsContact O-CG1 3.27Å; T97-I118 WeakPolarHBondContact O-CG1 3.41Å
98K85.1Confident80.2Confident138 Ų13896.2 Ų96.260%0.648%0.479SS*.Hα-helixtrans-90-10.2173.8-74168.2-168.2167.50111.7E94 K95 M96E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 WeakPolarHBondContact O-CD 2.88Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.5Å; E94-K98 IonicContact OE2-NZ 2.55Å; E94-K98 PolarHBondContact OE2-NZ 2.79Å; K95-K98 PolarHBondContact O-N 3.18Å; M96-K98 VanDerWaalsContact C-N 3.28Å; M96-K98 PolarHBondContact O-N 2.8Å
99G75.9Confident79.5Confident36 Ų3697.6 Ų97.637%0.37149%0.487SS..THydrogen-bonded Turntrans82.918.4-179.400000113.8K95 M96 F101 I118K95-G99 PolarHBondContact O-N 3.32Å; M96-G99 PolarHBondContact O-N 3.45Å; G99-F101 VanDerWaalsContact C-N 3.32Å; G99-F101 PolarHBondContact O-N 3.16Å; G99-I118 VanDerWaalsContact CA-CD1 3.49Å
100D74.3Confident78.9Confident107 Ų10794.3 Ų94.357%0.57247%0.471SS*.  trans-90.771.6175.2-16926.5000108.6K95K95-D100 PolarHBondContact O-N 3.07Å
101F69.6Low78.6Confident53 Ų53100.8 Ų100.823%0.23250%0.498CS..  trans-80130.8176.3-58.7-80.2000109.5M96 G99 E107 F114 T115M96-F101 HydrophobicContact CB-CE1 4.36Å; G99-F101 VanDerWaalsContact C-N 3.32Å; G99-F101 PolarHBondContact O-N 3.16Å; F101-E107 HydrophobicContact CE1-CG 4.5Å; F101-E107 WeakPolarHBondContact CE1-OE1 3.32Å; F101-E107 WeakPolarHBondContact CZ-OE1 3.27Å; F101-F114 HydrophobicContact CE1-CB 3.63Å; F101-F114 HydrophobicContact CE1-CD2 4.46Å; F101-F114 HydrophobicContact CE1-CG 4.35Å; F101-F114 HydrophobicContact CZ-CB 3.39Å; F101-T115 HydrophobicContact CD2-CG2 4.47Å; F101-T115 HydrophobicContact CE2-CG2 3.68Å; F101-T115 HydrophobicContact CZ-CG2 4.09Å
102I66.4Low78.1Confident137 Ų13799 Ų9970%0.70350%0.496SS*.SBendtrans-75.6-31.3-177.2-60172.6000110.5
103D64.6Low77.9Confident104 Ų10499.4 Ų99.456%0.55650%0.498SS*.  trans-159.7139.8176.7-82-44.6000110.8E105 V106D103-E105 VanDerWaalsContact C-N 3.27Å; D103-E105 PolarHBondContact O-N 3.28Å; D103-V106 HydrophobicContact CB-CG2 3.96Å; D103-V106 PolarHBondContact O-N 2.95Å; D103-V106 VanDerWaalsContact O-N 3.12Å
104E67.1Low77.7Confident172 Ų17295 Ų9580%0.80448%0.481SS*.Hα-helixtrans-61-32.3178.1-67.1176.3-179.700112.3V106 E107E104-V106 PolarHBondContact O-N 2.95Å; E104-E107 WeakPolarHBondContact O-CB 3.34Å; E104-E107 PolarHBondContact O-N 3.01Å; E104-E107 VanDerWaalsContact O-N 3.15Å
105E68.4Low77.4Confident171 Ų17193 Ų9380%0.79948%0.476SS*.Hα-helixtrans-64.7-25176.5-64.8-175.5176.200113.2D103D103-E105 VanDerWaalsContact C-N 3.27Å; D103-E105 PolarHBondContact O-N 3.28Å
106V67.4Low77.3Confident53 Ų5392.1 Ų92.132%0.32147%0.474SS..Hα-helixtrans-82.8-23.6179.7-172.20000110.5D103 E104 M109 Y110D103-V106 HydrophobicContact CB-CG2 3.96Å; D103-V106 PolarHBondContact O-N 2.95Å; D103-V106 VanDerWaalsContact O-N 3.12Å; E104-V106 PolarHBondContact O-N 2.95Å; V106-M109 VanDerWaalsContact O-CB 3.26Å; V106-M109 WeakPolarHBondContact O-CB 3.22Å; V106-M109 PolarHBondContact O-N 2.8Å; V106-Y110 HydrophobicContact CG1-CE2 3.66Å; V106-Y110 WeakPolarHBondContact O-CD2 3.32Å; V106-Y110 WeakPolarHBondContact O-CE2 3.39Å
107E70.3Confident77.4Confident34 Ų3495.4 Ų95.416%0.15949%0.487CS..Hα-helixtrans-66.8-43.5175.6-173.2152.9-144.900111.7F101 E104 M109 Y110 T115F101-E107 HydrophobicContact CE1-CG 4.5Å; F101-E107 WeakPolarHBondContact CE1-OE1 3.32Å; F101-E107 WeakPolarHBondContact CZ-OE1 3.27Å; E104-E107 WeakPolarHBondContact O-CB 3.34Å; E104-E107 PolarHBondContact O-N 3.01Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E107-M109 PolarHBondContact O-N 3.04Å; E107-M109 VanDerWaalsContact O-N 3.08Å; E107-Y110 PolarHBondContact O-N 3.05Å; E107-T115 WeakPolarHBondContact OE1-CG2 3.39Å; E107-T115 PolarHBondContact OE1-N 2.89Å; E107-T115 WeakPolarHBondContact OE2-CG2 3.43Å
108D74.8Confident77.4Confident152 Ų15294.7 Ų94.781%0.81348%0.481SS*.THydrogen-bonded Turntrans-60.8-19174-77.8-9.2000113.5
109M79.7Confident77.5Confident142 Ų14292.6 Ų92.670%0.748%0.476SS*.THydrogen-bonded Turntrans-79.5-19.9178.2-140.6-179.568.100112.4V106 E107V106-M109 VanDerWaalsContact O-CB 3.26Å; V106-M109 WeakPolarHBondContact O-CB 3.22Å; V106-M109 PolarHBondContact O-N 2.8Å; E107-M109 PolarHBondContact O-N 3.04Å; E107-M109 VanDerWaalsContact O-N 3.08Å
110Y81.4Confident78Confident81 Ų8194.8 Ų94.832%0.31848%0.479SS..SBendtrans-96.5134.6179-57.4-63.4000111.2M96 V106 E107 V112 F114M96-Y110 HydrophobicContact SD-CD2 4.18Å; M96-Y110 HydrophobicContact SD-CE1 4.4Å; M96-Y110 HydrophobicContact SD-CE2 3.77Å; V106-Y110 HydrophobicContact CG1-CE2 3.66Å; V106-Y110 WeakPolarHBondContact O-CD2 3.32Å; V106-Y110 WeakPolarHBondContact O-CE2 3.39Å; E107-Y110 PolarHBondContact O-N 3.05Å; Y110-V112 PolarHBondContact O-N 3.12Å; Y110-F114 HydrophobicContact CG-CE2 4.41Å
111L87.2Confident78.5Confident186 Ų18696.5 Ų96.597%0.97448%0.481SS*.SBendtrans-69.6-10.9176.8-67.1171.9000114
112V82.8Confident79.1Confident69 Ų69101.3 Ų101.342%0.41850%0.498SS..SBendtrans-109.3118.6-179.11790000107.7Y110 F114 K117Y110-V112 PolarHBondContact O-N 3.12Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.41Å; V112-F114 HydrophobicContact CG1-CE2 4.42Å; V112-F114 HydrophobicContact CG1-CZ 4.41Å; V112-F114 WeakPolarHBondContact O-CD2 3.06Å; V112-F114 PolarHBondContact O-N 2.82Å; V112-F114 VanDerWaalsContact O-N 3.13Å; V112-K117 HydrophobicContact CG1-CD 4.29Å
113D85.3Confident80Confident85 Ų85101.8 Ų101.846%0.45550%0.495SS..  trans-72.8101.6171.3-175.8-16.7000109.3T115 Q116 K117D113-T115 WeakPolarHBondContact OD1-CB 3.42Å; D113-T115 PolarHBondContact OD1-N 3.33Å; D113-T115 PolarHBondContact OD1-OG1 3.21Å; D113-Q116 HydrophobicContact CB-CB 4.19Å; D113-Q116 PolarHBondContact OD1-N 3.16Å; D113-K117 WeakPolarHBondContact O-CB 3.3Å; D113-K117 PolarHBondContact O-N 3.27Å; D113-K117 VanDerWaalsContact O-N 3.17Å
114F83.8Confident80.9Confident11 Ų11103.4 Ų103.45%0.04850%0.499CS..Hα-helixtrans-76.2-28.3-179.1-75.1-83.9000111.3Y93 M96 T97 F101 Y110 V112 K117 I118Y93-F114 AromaticContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CE1 3.92Å; Y93-F114 HydrophobicContact CD2-CZ 4.15Å; Y93-F114 AromaticContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CE1 3.57Å; Y93-F114 HydrophobicContact CE2-CZ 4.01Å; M96-F114 HydrophobicContact CB-CD1 3.8Å; M96-F114 HydrophobicContact CB-CD2 4.13Å; M96-F114 HydrophobicContact CB-CE1 3.92Å; M96-F114 HydrophobicContact CB-CE2 4.24Å; M96-F114 HydrophobicContact CB-CG 3.91Å; M96-F114 HydrophobicContact CB-CZ 4.14Å; M96-F114 HydrophobicContact CE-CE1 4.42Å; M96-F114 HydrophobicContact CE-CE2 4.12Å; M96-F114 HydrophobicContact CE-CZ 3.78Å; M96-F114 HydrophobicContact SD-CD2 4.2Å; M96-F114 HydrophobicContact SD-CE2 3.69Å; M96-F114 HydrophobicContact SD-CZ 3.96Å; T97-F114 HydrophobicContact CG2-CD1 4.2Å; T97-F114 HydrophobicContact CG2-CE1 4.28Å; F101-F114 HydrophobicContact CE1-CB 3.63Å; F101-F114 HydrophobicContact CE1-CD2 4.46Å; F101-F114 HydrophobicContact CE1-CG 4.35Å; F101-F114 HydrophobicContact CZ-CB 3.39Å; Y110-F114 HydrophobicContact CG-CE2 4.41Å; V112-F114 HydrophobicContact CB-CE2 4.17Å; V112-F114 HydrophobicContact CB-CZ 4.41Å; V112-F114 HydrophobicContact CG1-CE2 4.42Å; V112-F114 HydrophobicContact CG1-CZ 4.41Å; V112-F114 WeakPolarHBondContact O-CD2 3.06Å; V112-F114 PolarHBondContact O-N 2.82Å; V112-F114 VanDerWaalsContact O-N 3.13Å; F114-K117 PolarHBondContact O-N 3Å; F114-I118 WeakPolarHBondContact O-CD1 3.31Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 3.03Å
115T83.9Confident81.4Confident57 Ų57101.7 Ų101.735%0.3549%0.493SS..Hα-helixtrans-61.7-49.7173.167.50000111.6F101 E107 D113 K117 I118 I119F101-T115 HydrophobicContact CD2-CG2 4.47Å; F101-T115 HydrophobicContact CE2-CG2 3.68Å; F101-T115 HydrophobicContact CZ-CG2 4.09Å; E107-T115 WeakPolarHBondContact OE1-CG2 3.39Å; E107-T115 PolarHBondContact OE1-N 2.89Å; E107-T115 WeakPolarHBondContact OE2-CG2 3.43Å; D113-T115 WeakPolarHBondContact OD1-CB 3.42Å; D113-T115 PolarHBondContact OD1-N 3.33Å; D113-T115 PolarHBondContact OD1-OG1 3.21Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.4Å; T115-I118 PolarHBondContact O-N 2.79Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.25Å; T115-I119 VanDerWaalsContact O-N 3.12Å
116Q85.7Confident81.8Confident86 Ų86100.1 Ų100.140%0.40249%0.486SS..Hα-helixtrans-63.6-40.5177.1-173.259.851.800111.1D113 I118 I119 D120D113-Q116 HydrophobicContact CB-CB 4.19Å; D113-Q116 PolarHBondContact OD1-N 3.16Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3.12Å; Q116-I119 WeakPolarHBondContact O-CB 3.49Å; Q116-I119 PolarHBondContact O-N 3.12Å; Q116-I119 VanDerWaalsContact O-N 3.15Å; Q116-D120 PolarHBondContact NE2-OD1 3.48Å; Q116-D120 VanDerWaalsContact O-CG 3.29Å; Q116-D120 PolarHBondContact O-N 3.38Å
117K86.4Confident82.2Confident89 Ų89101 Ų10139%0.38750%0.498SS..Hα-helixtrans-61.9-34.6177.2-168.4172.4-169.3171.20113.2Y93 V112 D113 F114 T115 K121Y93-K117 PolarHBondContact OH-NZ 2.88Å; V112-K117 HydrophobicContact CG1-CD 4.29Å; D113-K117 WeakPolarHBondContact O-CB 3.3Å; D113-K117 PolarHBondContact O-N 3.27Å; D113-K117 VanDerWaalsContact O-N 3.17Å; F114-K117 PolarHBondContact O-N 3Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.4Å; K117-K121 VanDerWaalsContact O-CB 3.27Å; K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.04Å
118I86.3Confident81.9Confident25 Ų25102.8 Ų102.813%0.12852%0.515CS..Hα-helixtrans-68.8-44174.5-69.5161.3000110.5T97 G99 F114 T115 Q116 K121 R122T97-I118 VanDerWaalsContact O-CG1 3.27Å; T97-I118 WeakPolarHBondContact O-CG1 3.41Å; G99-I118 VanDerWaalsContact CA-CD1 3.49Å; F114-I118 WeakPolarHBondContact O-CD1 3.31Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 3.03Å; T115-I118 PolarHBondContact O-N 2.79Å; Q116-I118 VanDerWaalsContact C-N 3.29Å; Q116-I118 PolarHBondContact O-N 3.12Å; I118-K121 PolarHBondContact O-N 3.15Å; I118-R122 WeakPolarHBondContact O-CG 3.33Å; I118-R122 PolarHBondContact O-N 3.48Å
119I85.9Confident81.1Confident94 Ų9496.8 Ų96.848%0.48249%0.489SS..Hα-helixtrans-60.4-48.4178.1-66.3165.8000110T115 Q116 K121 R122 K123T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.25Å; T115-I119 VanDerWaalsContact O-N 3.12Å; Q116-I119 WeakPolarHBondContact O-CB 3.49Å; Q116-I119 PolarHBondContact O-N 3.12Å; Q116-I119 VanDerWaalsContact O-N 3.15Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.03Å; I119-R122 PolarHBondContact O-N 3.31Å; I119-K123 WeakPolarHBondContact O-CB 3.18Å; I119-K123 PolarHBondContact O-N 2.51Å
120D86.4Confident79.7Confident82 Ų8293.4 Ų93.444%0.43948%0.483SS..Hα-helixtrans-62-43179.3-68-17.1000111.4Q116 R122 K123 E124Q116-D120 PolarHBondContact NE2-OD1 3.48Å; Q116-D120 VanDerWaalsContact O-CG 3.29Å; Q116-D120 PolarHBondContact O-N 3.38Å; D120-R122 PolarHBondContact O-N 2.99Å; D120-K123 PolarHBondContact O-N 3.49Å; D120-E124 WeakPolarHBondContact O-CB 3.5Å; D120-E124 PolarHBondContact O-N 3.3Å
121K84.7Confident78.2Confident143 Ų14396.3 Ų96.362%0.62250%0.499SS*.Hα-helixtrans-65.5-38.1177.3-171.8176.2-177.8-178.80112.7K117 I118 I119 M125K117-K121 VanDerWaalsContact O-CB 3.27Å; K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.04Å; I118-K121 PolarHBondContact O-N 3.15Å; I119-K121 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.03Å; K121-M125 WeakPolarHBondContact O-CB 3.39Å; K121-M125 PolarHBondContact O-N 3.16Å
122R82.6Confident76.3Confident155 Ų15596.9 Ų96.959%0.58549%0.489SS*.Hα-helixtrans-66.4-43.8173.8-76.1-176.5-176.7176.93.8111.1I118 I119 D120 E124 M125 E126I118-R122 WeakPolarHBondContact O-CG 3.33Å; I118-R122 PolarHBondContact O-N 3.48Å; I119-R122 PolarHBondContact O-N 3.31Å; D120-R122 PolarHBondContact O-N 2.99Å; R122-E124 VanDerWaalsContact C-N 3.31Å; R122-E124 PolarHBondContact O-N 2.63Å; R122-M125 CarbonylContact O-C 3.6Å; R122-M125 PolarHBondContact O-N 2.74Å; R122-M125 VanDerWaalsContact O-N 3.14Å; R122-E126 WeakPolarHBondContact O-CB 3.33Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 2.9Å
123K86.3Confident74.4Confident146 Ų146100 Ų10064%0.63550%0.503SS*.Hα-helixtrans-61-39.8176.2-172.6178.1-179.9-178.50112I119 D120 A127I119-K123 WeakPolarHBondContact O-CB 3.18Å; I119-K123 PolarHBondContact O-N 2.51Å; D120-K123 PolarHBondContact O-N 3.49Å; K123-A127 VanDerWaalsContact O-CB 3.23Å; K123-A127 WeakPolarHBondContact O-CB 3.41Å; K123-A127 PolarHBondContact O-N 3.46Å
124E83.1Confident72.6Confident139 Ų139101 Ų10165%0.6552%0.517SS*.Hα-helixtrans-65.5-41.9173.2-172.3-178.2-173.500111.9D120 R122 A127 S128D120-E124 WeakPolarHBondContact O-CB 3.5Å; D120-E124 PolarHBondContact O-N 3.3Å; R122-E124 VanDerWaalsContact C-N 3.31Å; R122-E124 PolarHBondContact O-N 2.63Å; E124-A127 PolarHBondContact O-N 2.82Å; E124-S128 WeakPolarHBondContact O-CB 3.34Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.16Å
125M77.7Confident70.9Confident135 Ų135107.8 Ų107.867%0.66555%0.548SS*.Hα-helixtrans-67.9-35.7176.2-166.4166.877.700112.8K121 R122 S128 G129K121-M125 WeakPolarHBondContact O-CB 3.39Å; K121-M125 PolarHBondContact O-N 3.16Å; R122-M125 CarbonylContact O-C 3.6Å; R122-M125 PolarHBondContact O-N 2.74Å; R122-M125 VanDerWaalsContact O-N 3.14Å; M125-S128 WeakPolarHBondContact CA-OG 3.39Å; M125-S128 PolarHBondContact O-OG 3.46Å; M125-S128 VanDerWaalsContact O-OG 3.13Å; M125-G129 PolarHBondContact O-N 3.41Å
126E76.7Confident68.8Low139 Ų139114.2 Ų114.265%0.6557%0.571SS**Hα-helixtrans-71.1-41.1174.1-74.8172.6-173.700111.3R122 S128 G129 A130R122-E126 WeakPolarHBondContact O-CB 3.33Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 2.9Å; E126-S128 VanDerWaalsContact C-N 3.29Å; E126-S128 PolarHBondContact O-N 3Å; E126-G129 PolarHBondContact O-N 3.03Å; E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.89Å
127A74.6Confident66.6Low70 Ų70115.2 Ų115.258%0.57959%0.594SS**Hα-helixtrans-63.3-34.8174.800000112.5K123 E124K123-A127 VanDerWaalsContact O-CB 3.23Å; K123-A127 WeakPolarHBondContact O-CB 3.41Å; K123-A127 PolarHBondContact O-N 3.46Å; E124-A127 PolarHBondContact O-N 2.82Å
128S64.3Low64.2Low73 Ų73114.4 Ų114.451%0.5161%0.612SS.*Hα-helixtrans-83.2-2917551.50000113.7E124 M125 E126 H131E124-S128 WeakPolarHBondContact O-CB 3.34Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.16Å; M125-S128 WeakPolarHBondContact CA-OG 3.39Å; M125-S128 PolarHBondContact O-OG 3.46Å; M125-S128 VanDerWaalsContact O-OG 3.13Å; E126-S128 VanDerWaalsContact C-N 3.29Å; E126-S128 PolarHBondContact O-N 3Å; S128-H131 PolarHBondContact O-N 2.97Å
129G58.1Low62.1Low26 Ų26122.6 Ų122.627%0.26865%0.649SS.*Hα-helixtrans-70.5-35.7172.900000113.4M125 E126 H131 R132 D133M125-G129 PolarHBondContact O-N 3.41Å; E126-G129 PolarHBondContact O-N 3.03Å; G129-H131 PolarHBondContact O-N 3.12Å; G129-R132 WeakPolarHBondContact O-CA 3.31Å; G129-R132 WeakPolarHBondContact O-CB 3.44Å; G129-R132 PolarHBondContact O-N 2.82Å; G129-D133 PolarHBondContact O-N 3.36Å
130A50.8Low59.9Low70 Ų70129.5 Ų129.558%0.57967%0.669SS**THydrogen-bonded Turntrans-63-20.1174.600000113.5E126E126-A130 WeakPolarHBondContact O-CB 3.31Å; E126-A130 PolarHBondContact O-N 2.89Å
131H49.5Very low57.6Low143 Ų143132.9 Ų132.966%0.66269%0.687SS**THydrogen-bonded Turntrans-81.2-15.9171.6-162.8-71.5000112.7S128 G129S128-H131 PolarHBondContact O-N 2.97Å; G129-H131 PolarHBondContact O-N 3.12Å
132R48.2Very low55.5Low198 Ų198132.6 Ų132.675%0.74769%0.692SS**THydrogen-bonded Turntrans-96.7-25.8-173.5-146.1178-173.3-169.72.4113.5G129 S134 Q135G129-R132 WeakPolarHBondContact O-CA 3.31Å; G129-R132 WeakPolarHBondContact O-CB 3.44Å; G129-R132 PolarHBondContact O-N 2.82Å; R132-S134 PolarHBondContact O-N 3.15Å; R132-Q135 PolarHBondContact O-N 3.16Å
133D42.8Very low53.8Low135 Ų135132.2 Ų132.272%0.72270%0.702SS**THydrogen-bonded Turntrans-76-8.7-179.4-70.6-27.8000114G129G129-D133 PolarHBondContact O-N 3.36Å
134S47.4Very low51.6Low106 Ų106133.2 Ų133.274%0.74171%0.709SS**THydrogen-bonded Turntrans-83.4-11.2171.7-42.60000113.8R132R132-S134 PolarHBondContact O-N 3.15Å
135Q46.9Very low50.1Low152 Ų152136.6 Ų136.671%0.7173%0.725SS**SBendtrans-118.418.6-171.2-74.6-170.2-57.800114.3R132R132-Q135 PolarHBondContact O-N 3.16Å
136K39.5Very low48.7Very low192 Ų192135.9 Ų135.984%0.83572%0.724SS**  trans-109.452.6-176.9-142.7-179.8-174.8-175.50113.6
137A39.4Very low47.1Very low107 Ų107137 Ų13788%0.88473%0.733SS**SBendtrans-135.675.8163.200000109.3
138G36.3Very low45.8Very low73 Ų73138.9 Ų138.975%0.75374%0.74SS**  trans162.781.9176.400000112.3R140G138-R140 PolarHBondContact O-N 2.55Å
139E43.7Very low45.3Very low196 Ų196145 Ų14592%0.91676%0.76SS**  trans-69122.5160.9-81.7-171.1150.700109.2
140R38.5Very low44.7Very low239 Ų239146.7 Ų146.790%0.90278%0.778SS**  trans-174.6126.5130.5-100.5165.4-165-153.13.4111.2G138G138-R140 PolarHBondContact O-N 2.55Å
141D38.6Very low44.8Very low153 Ų153152.2 Ų152.282%0.81879%0.792SS**  trans25.5139.5135.7-136.513.2000120.9
142D40.1Very low45.3Very low137 Ų137151.7 Ų151.773%0.73379%0.792SS**  trans86.7143153.9-120.5-4.7000120.8
143D48.3Very low45.9Very low148 Ų148147.2 Ų147.279%0.79179%0.789SS**  trans-41.4121.5-179.5-67.9-49.4000114.7
144E40.2Very low46.9Very low166 Ų166146 Ų14678%0.77679%0.788SS**  trans-161.6102.3151.6-132.8158.9174.400113.9N146E144-N146 HydrophobicContact CG-CB 4.11Å; E144-N146 PolarHBondContact O-N 2.84Å
145E49.9Very low47.5Very low211 Ų211145 Ų14599%0.98678%0.779SS**  trans-65.869.3150.4-69.5-170.5160.800109.4
146N49.6Very low48.3Very low119 Ų119146 Ų14664%0.63678%0.784SS**  trans-16378.8165.5-152.8-1.2000111.1E144E144-N146 HydrophobicContact CG-CB 4.11Å; E144-N146 PolarHBondContact O-N 2.84Å
147L41.9Very low49.7Very low163 Ų163141.3 Ų141.385%0.85377%0.768SS**  trans-74.7124.4168.9-88159.9000109
148P48.2Very low51.3Low110 Ų110141 Ų14171%0.71476%0.757SS**  trans-69.3143.5179.429.8-32.8000110.1G150P148-G150 PolarHBondContact O-N 3.24Å
149E52.6Low52.9Low201 Ų201140 Ų14094%0.93974%0.739SS**  trans-57.578170.1-160.4164.7-154.600109.7E151E149-E151 PolarHBondContact O-N 3.37Å
150G46.6Very low54.5Low62 Ų62134.2 Ų134.264%0.63971%0.711SS**  trans-64.7118.6176.800000109.9P148 I152P148-G150 PolarHBondContact O-N 3.24Å; G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.13Å
151E52.4Low56.8Low186 Ų186127.2 Ų127.287%0.86969%0.689SS**  trans-33.9108.1-179-66171.8169.700113.4E149 P153E149-E151 PolarHBondContact O-N 3.37Å; E151-P153 WeakPolarHBondContact O-CD 3.38Å
152I59.3Low59.1Low131 Ų131125 Ų12567%0.67267%0.669SS**PPolyproline II helixtrans-65.1123.6166.5-56.3169.7000106.3G150G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.13Å
153P62.5Low61.5Low104 Ų104120 Ų12068%0.67564%0.644SS**PPolyproline II helixtrans-52.1140.1175.7-23.431.5000110.3E151E151-P153 WeakPolarHBondContact O-CD 3.38Å
154P63.7Low63.7Low110 Ų110117.9 Ų117.971%0.71463%0.632SS**PPolyproline II helixtrans-56.613517823.5-32.4000109.2Q156P154-Q156 PolarHBondContact O-N 3.35Å; P154-Q156 VanDerWaalsContact O-N 3.13Å
155P59.7Low66.1Low84 Ų84111 Ų11155%0.54560%0.599SS.*PPolyproline II helixtrans-52.4122.1-178.2-23.830.9000110.2
156Q62.7Low68.1Low174 Ų174105.5 Ų105.581%0.81358%0.58SS**SBendtrans-72.3-24.6177.4-95.4168.2-31.200111.5P154P154-Q156 PolarHBondContact O-N 3.35Å; P154-Q156 VanDerWaalsContact O-N 3.13Å
157D69Low70Confident94 Ų94100.5 Ų100.550%0.50355%0.553SS.*SBendtrans-139.9150.5179-76.9-46.6000112.3S159 E160D157-S159 PolarHBondContact O-N 3.28Å; D157-E160 PolarHBondContact O-N 3.1Å
158P73.3Confident72Confident100 Ų10094.7 Ų94.765%0.64953%0.526SS*.G310 helixtrans-62-11.217726.7-35.3000113.7R177P158-R177 PolarHBondContact O-NH1 3.24Å
159S69.3Low73.6Confident52 Ų5294.2 Ų94.236%0.36452%0.517SS..G310 helixtrans-81.9-16.3175.249.40000114.5D157 E161 K178D157-S159 PolarHBondContact O-N 3.28Å; S159-E161 VanDerWaalsContact C-N 3.34Å; S159-K178 PolarHBondContact O-N 3.12Å
160E78.7Confident75.1Confident74 Ų7487.5 Ų87.535%0.34650%0.502SS..G310 helixtrans-94.711.1178.8-59.7-168.7153.100112.9D157D157-E160 PolarHBondContact O-N 3.1Å
161E86.8Confident77Confident93 Ų9390.8 Ų90.844%0.43550%0.495SS..  trans-73.5132.6174.4-162.2-179.4135.400110.2S159 V163 R177S159-E161 VanDerWaalsContact C-N 3.34Å; E161-V163 PolarHBondContact O-N 2.55Å; E161-R177 VanDerWaalsContact CB-NH1 3.34Å; E161-R177 WeakPolarHBondContact O-CB 3.26Å; E161-R177 PolarHBondContact O-N 3.4Å; E161-R177 IonicContact OE1-CZ 3.77Å; E161-R177 IonicContact OE1-NH2 3.08Å; E161-R177 PolarHBondContact OE1-NH2 3.42Å; E161-R177 IonicContact OE2-CZ 2.97Å; E161-R177 IonicContact OE2-NH1 3.85Å; E161-R177 PolarHBondContact OE2-NH1 3.48Å; E161-R177 IonicContact OE2-NH2 3.64Å; E161-R177 PolarHBondContact OE2-NH2 3.48Å
162W86.3Confident78.9Confident107 Ų10787.1 Ų87.141%0.40549%0.49SS..EExtended strand (participates in β ladder)trans-71.2125.2172.2-68.792000110.6R174 C175 M176W162-R174 HydrophobicContact CB-CG 4.08Å; W162-R174 VanDerWaalsContact CB-NE 3.34Å; W162-R174 HydrophobicContact CD2-CG 4.45Å; W162-R174 HydrophobicContact CE3-CG 3.82Å; W162-C175 CarbonylContact C-O 3.58Å; W162-C175 WeakPolarHBondContact CA-O 3.45Å; W162-M176 HydrophobicContact CD2-CE 4.08Å; W162-M176 HydrophobicContact CD2-SD 3.83Å; W162-M176 VanDerWaalsContact CE2-CE 3.4Å; W162-M176 HydrophobicContact CE3-SD 4.3Å; W162-M176 HydrophobicContact CG-SD 4.06Å; W162-M176 HydrophobicContact CH2-CE 4.34Å; W162-M176 HydrophobicContact CZ2-CE 3.57Å; W162-M176 HydrophobicContact CZ2-SD 4.33Å
163V91.3Very high80.4Confident32 Ų3286.6 Ų86.619%0.19448%0.479CS..EExtended strand (participates in β ladder)trans-120.2135178.9-178.70000109.3E161 C175 R177 L180E161-V163 PolarHBondContact O-N 2.55Å; V163-C175 PolarHBondContact N-O 3.29Å; V163-C175 PolarHBondContact O-N 2.92Å; V163-R177 HydrophobicContact CG2-CB 3.85Å; V163-R177 HydrophobicContact CG2-CG 4.22Å; V163-L180 HydrophobicContact CB-CD2 4.46Å; V163-L180 HydrophobicContact CG1-CD2 3.97Å
164D93.9Very high81.8Confident103 Ų10389 Ų8955%0.55148%0.475SS*.EExtended strand (participates in β ladder)trans-84.5131.9172.8-59.7-28000109.4R173 R174D164-R173 WeakPolarHBondContact CA-O 3.47Å; D164-R174 WeakPolarHBondContact OD1-CB 3.25Å; D164-R174 VanDerWaalsContact OD1-CD 3.28Å; D164-R174 WeakPolarHBondContact OD1-CD 3.48Å; D164-R174 WeakPolarHBondContact OD1-CG 3.46Å; D164-R174 IonicContact OD1-NE 3.99Å; D164-R174 IonicContact OD1-NH1 3.76Å; D164-R174 PolarHBondContact OD1-NH1 3.09Å; D164-R174 IonicContact OD2-NH1 2.67Å
165Y91Very high83.1Confident21 Ų2184.2 Ų84.28%0.08244%0.444CS..EExtended strand (participates in β ladder)trans-133.9165.2175.176.8-79.8000111D167 S172 R173 C175 L180 L183 L184Y165-D167 HydrophobicContact CE2-CB 4.48Å; Y165-S172 WeakPolarHBondContact O-CA 3.38Å; Y165-R173 HydrophobicContact CD1-CB 4.28Å; Y165-R173 WeakPolarHBondContact CD1-O 3.34Å; Y165-R173 HydrophobicContact CE1-CB 3.67Å; Y165-R173 HydrophobicContact CE2-CB 4.43Å; Y165-R173 PolarHBondContact N-O 2.9Å; Y165-R173 PolarHBondContact O-N 2.71Å; Y165-C175 HydrophobicContact CD1-CB 4.32Å; Y165-C175 WeakPolarHBondContact CD1-SG 3.44Å; Y165-C175 HydrophobicContact CE1-CB 3.86Å; Y165-C175 WeakPolarHBondContact CE1-SG 3.35Å; Y165-L180 VanDerWaalsContact CB-CD1 3.41Å; Y165-L180 HydrophobicContact CD1-CD1 3.86Å; Y165-L180 HydrophobicContact CD2-CD1 4.3Å; Y165-L180 HydrophobicContact CG-CD1 3.6Å; Y165-L183 HydrophobicContact CE1-CD1 4.01Å; Y165-L183 HydrophobicContact CE2-CB 4.45Å; Y165-L184 HydrophobicContact CD2-CD2 4.39Å
166V92.3Very high84.7Confident95 Ų9582.2 Ų82.258%0.57643%0.428SS*.EExtended strand (participates in β ladder)trans-109120.7178.3-176.80000108.9
167D89.6Confident85.9Confident14 Ų1478.1 Ų78.18%0.07541%0.405CS..  trans-70.2163.1175.9-171.122.6000111.4Y165 L169 G170 R171 R173Y165-D167 HydrophobicContact CE2-CB 4.48Å; D167-L169 PolarHBondContact O-N 3.1Å; D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 3.04Å; D167-R171 PolarHBondContact N-O 3.46Å; D167-R171 IonicContact OD2-CZ 2.81Å; D167-R171 IonicContact OD2-NE 2.66Å; D167-R171 IonicContact OD2-NH2 2.81Å; D167-R171 PolarHBondContact OD2-NH2 2.95Å; D167-R173 HydrophobicContact CB-CG 4.5Å; D167-R173 IonicContact OD2-NH1 2.71Å
168S82.3Confident86.9Confident41 Ų4179.1 Ų79.129%0.28741%0.405SS..THydrogen-bonded Turntrans-57.4-23.6179.248.80000113.9G170 D187 Q191S168-G170 PolarHBondContact O-N 3.43Å; S168-D187 WeakPolarHBondContact CA-OD1 3.41Å; S168-D187 WeakPolarHBondContact CA-OD2 3.35Å; S168-D187 VanDerWaalsContact CB-CG 3.41Å; S168-D187 WeakPolarHBondContact CB-OD1 3.42Å; S168-D187 VanDerWaalsContact CB-OD2 3.23Å; S168-D187 WeakPolarHBondContact CB-OD2 3.49Å; S168-D187 PolarHBondContact N-OD1 3.44Å; S168-D187 PolarHBondContact N-OD2 3.33Å; S168-D187 PolarHBondContact OG-OD1 3.17Å; S168-Q191 VanDerWaalsContact CB-NE2 3.31Å
169L81.8Confident87.8Confident101 Ų10177.5 Ų77.553%0.52939%0.391SS..THydrogen-bonded Turntrans-82.23.9176.4-67.391.3000113.1D167 R171D167-L169 PolarHBondContact O-N 3.1Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 HydrophobicContact CB-CG 4.31Å; L169-R171 PolarHBondContact O-N 2.73Å
170G83.9Confident88.9Confident60 Ų6076.8 Ų76.862%0.61938%0.383SS*.SBendtrans73.917.7-178.900000114.1D167 S168D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 3.04Å; S168-G170 PolarHBondContact O-N 3.43Å
171R88.3Confident89.5Confident130 Ų13077 Ų7749%0.49139%0.391SS..  trans-92.9131.1179.7-61.9178-64.7-172.21.7109.7D167 L169D167-R171 PolarHBondContact N-O 3.46Å; D167-R171 IonicContact OD2-CZ 2.81Å; D167-R171 IonicContact OD2-NE 2.66Å; D167-R171 IonicContact OD2-NH2 2.81Å; D167-R171 PolarHBondContact OD2-NH2 2.95Å; L169-R171 VanDerWaalsContact C-N 3.29Å; L169-R171 HydrophobicContact CB-CG 4.31Å; L169-R171 PolarHBondContact O-N 2.73Å
172S91.6Very high89.8Confident109 Ų10977 Ų7776%0.76239%0.394SS*.EExtended strand (participates in β ladder)trans-72.2125.4171.146.80000110.2Y165Y165-S172 WeakPolarHBondContact O-CA 3.38Å
173R90.6Very high90Very high120 Ų12073.8 Ų73.845%0.45338%0.384SS..EExtended strand (participates in β ladder)trans-131.5147178.8-62.7177.774.7-177.2-3.1109.2D164 Y165 D167D164-R173 WeakPolarHBondContact CA-O 3.47Å; Y165-R173 HydrophobicContact CD1-CB 4.28Å; Y165-R173 WeakPolarHBondContact CD1-O 3.34Å; Y165-R173 HydrophobicContact CE1-CB 3.67Å; Y165-R173 HydrophobicContact CE2-CB 4.43Å; Y165-R173 PolarHBondContact N-O 2.9Å; Y165-R173 PolarHBondContact O-N 2.71Å; D167-R173 HydrophobicContact CB-CG 4.5Å; D167-R173 IonicContact OD2-NH1 2.71Å
174R92.7Very high89.9Confident154 Ų15475.4 Ų75.458%0.58139%0.392SS*.EExtended strand (participates in β ladder)trans-110.1126179.8-169.3170.4175.7115.6-6.7109.5W162 D164W162-R174 HydrophobicContact CB-CG 4.08Å; W162-R174 VanDerWaalsContact CB-NE 3.34Å; W162-R174 HydrophobicContact CD2-CG 4.45Å; W162-R174 HydrophobicContact CE3-CG 3.82Å; D164-R174 WeakPolarHBondContact OD1-CB 3.25Å; D164-R174 VanDerWaalsContact OD1-CD 3.28Å; D164-R174 WeakPolarHBondContact OD1-CD 3.48Å; D164-R174 WeakPolarHBondContact OD1-CG 3.46Å; D164-R174 IonicContact OD1-NE 3.99Å; D164-R174 IonicContact OD1-NH1 3.76Å; D164-R174 PolarHBondContact OD1-NH1 3.09Å; D164-R174 IonicContact OD2-NH1 2.67Å
175C90.6Very high89.7Confident10 Ų1076.1 Ų76.17%0.06839%0.391CS..EExtended strand (participates in β ladder)trans-137.2168177.963.30000110.9W162 V163 Y165 L183W162-C175 CarbonylContact C-O 3.58Å; W162-C175 WeakPolarHBondContact CA-O 3.45Å; V163-C175 PolarHBondContact N-O 3.29Å; V163-C175 PolarHBondContact O-N 2.92Å; Y165-C175 HydrophobicContact CD1-CB 4.32Å; Y165-C175 WeakPolarHBondContact CD1-SG 3.44Å; Y165-C175 HydrophobicContact CE1-CB 3.86Å; Y165-C175 WeakPolarHBondContact CE1-SG 3.35Å; C175-L183 HydrophobicContact CB-CD1 3.4Å; C175-L183 VanDerWaalsContact CB-CD1 3.4Å
176M91.9Very high89.5Confident42 Ų4279.9 Ų79.921%0.20741%0.411CS..EExtended strand (participates in β ladder)trans-67.8147169.8-64.4-62.1-166.800110.6W162 K178 D179 L180W162-M176 HydrophobicContact CD2-CE 4.08Å; W162-M176 HydrophobicContact CD2-SD 3.83Å; W162-M176 VanDerWaalsContact CE2-CE 3.4Å; W162-M176 HydrophobicContact CE3-SD 4.3Å; W162-M176 HydrophobicContact CG-SD 4.06Å; W162-M176 HydrophobicContact CH2-CE 4.34Å; W162-M176 HydrophobicContact CZ2-CE 3.57Å; W162-M176 HydrophobicContact CZ2-SD 4.33Å; M176-K178 HydrophobicContact CB-CG 3.79Å; M176-K178 PolarHBondContact O-N 3.13Å; M176-D179 PolarHBondContact O-N 2.87Å; M176-L180 PolarHBondContact O-N 3.21Å; M176-L180 VanDerWaalsContact O-N 3.17Å
177R88.1Confident89.1Confident88 Ų8876 Ų7633%0.33239%0.387SS..THydrogen-bonded Turntrans-56.9-34.1178.4-174.8172.8-67.8140.8-2.4113.2P158 E161 V163 D179 P181P158-R177 PolarHBondContact O-NH1 3.24Å; E161-R177 VanDerWaalsContact CB-NH1 3.34Å; E161-R177 WeakPolarHBondContact O-CB 3.26Å; E161-R177 PolarHBondContact O-N 3.4Å; E161-R177 IonicContact OE1-CZ 3.77Å; E161-R177 IonicContact OE1-NH2 3.08Å; E161-R177 PolarHBondContact OE1-NH2 3.42Å; E161-R177 IonicContact OE2-CZ 2.97Å; E161-R177 IonicContact OE2-NH1 3.85Å; E161-R177 PolarHBondContact OE2-NH1 3.48Å; E161-R177 IonicContact OE2-NH2 3.64Å; E161-R177 PolarHBondContact OE2-NH2 3.48Å; V163-R177 HydrophobicContact CG2-CB 3.85Å; V163-R177 HydrophobicContact CG2-CG 4.22Å; R177-D179 VanDerWaalsContact C-N 3.32Å; R177-D179 PolarHBondContact O-N 3.25Å; R177-P181 WeakPolarHBondContact O-CD 3.4Å
178K91.3Very high88.9Confident115 Ų11581.9 Ų81.950%0.541%0.412SS..THydrogen-bonded Turntrans-63.2-33.2174.357.4173.5-173.3-1700114S159 M176 P181S159-K178 PolarHBondContact O-N 3.12Å; M176-K178 HydrophobicContact CB-CG 3.79Å; M176-K178 PolarHBondContact O-N 3.13Å; K178-P181 WeakPolarHBondContact O-CD 3.18Å
179D91.8Very high88.9Confident67 Ų6785.1 Ų85.136%0.35843%0.426SS..THydrogen-bonded Turntrans-92.3-14.4-174.8-55.4-32.1000111.5M176 R177 D182 L183M176-D179 PolarHBondContact O-N 2.87Å; R177-D179 VanDerWaalsContact C-N 3.32Å; R177-D179 PolarHBondContact O-N 3.25Å; D179-D182 PolarHBondContact O-N 3.33Å; D179-L183 HydrophobicContact CB-CD1 4.15Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 WeakPolarHBondContact O-CD1 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.45Å
180L91.5Very high88.7Confident36 Ų3684.5 Ų84.519%0.18842%0.423CS..Hα-helixtrans-56.6-45.5-179.2178.364.8000113.6V163 Y165 M176 L183 L184V163-L180 HydrophobicContact CB-CD2 4.46Å; V163-L180 HydrophobicContact CG1-CD2 3.97Å; Y165-L180 VanDerWaalsContact CB-CD1 3.41Å; Y165-L180 HydrophobicContact CD1-CD1 3.86Å; Y165-L180 HydrophobicContact CD2-CD1 4.3Å; Y165-L180 HydrophobicContact CG-CD1 3.6Å; M176-L180 PolarHBondContact O-N 3.21Å; M176-L180 VanDerWaalsContact O-N 3.17Å; L180-L183 PolarHBondContact O-N 3.26Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.41Å
181P92.3Very high87.8Confident79 Ų7986.2 Ų86.251%0.51342%0.415SS..Hα-helixtrans-61.4-45.2178.4-21.734.4000112.6R177 K178 L184 E185R177-P181 WeakPolarHBondContact O-CD 3.4Å; K178-P181 WeakPolarHBondContact O-CD 3.18Å; P181-L184 PolarHBondContact O-N 2.85Å; P181-E185 PolarHBondContact O-N 3.23Å
182D92.1Very high86.4Confident94 Ų9482.6 Ų82.650%0.50342%0.418SS..Hα-helixtrans-65.7-40.5-179.6-67.80.5000111.2D179 E185 M186D179-D182 PolarHBondContact O-N 3.33Å; D182-E185 PolarHBondContact O-N 3.01Å; D182-M186 WeakPolarHBondContact O-CG 3.42Å; D182-M186 PolarHBondContact O-N 2.97Å
183L90.3Very high84.9Confident39 Ų3987.9 Ų87.920%0.20442%0.421CS..Hα-helixtrans-63.7-40.7175.5-74.1164000112Y165 C175 D179 L180 E185 M186 D187Y165-L183 HydrophobicContact CE1-CD1 4.01Å; Y165-L183 HydrophobicContact CE2-CB 4.45Å; C175-L183 HydrophobicContact CB-CD1 3.4Å; C175-L183 VanDerWaalsContact CB-CD1 3.4Å; D179-L183 HydrophobicContact CB-CD1 4.15Å; D179-L183 WeakPolarHBondContact O-CB 3.49Å; D179-L183 WeakPolarHBondContact O-CD1 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 3.26Å; L183-E185 VanDerWaalsContact C-N 3.33Å; L183-M186 HydrophobicContact CD2-CE 3.86Å; L183-M186 HydrophobicContact CG-CE 4.3Å; L183-D187 VanDerWaalsContact O-CB 3.31Å; L183-D187 WeakPolarHBondContact O-CB 3.42Å; L183-D187 PolarHBondContact O-N 3.16Å
184L89.8Confident83.1Confident66 Ų6687.8 Ų87.835%0.34643%0.429SS..Hα-helixtrans-68.3-31.3174.9-70.9171.9000112.5Y165 L180 P181 K188Y165-L184 HydrophobicContact CD2-CD2 4.39Å; L180-L184 HydrophobicContact CD1-CD1 4.07Å; L180-L184 HydrophobicContact CD1-CG 4.16Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 WeakPolarHBondContact O-CB 3.06Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.38Å; L180-L184 PolarHBondContact O-N 3.41Å; P181-L184 PolarHBondContact O-N 2.85Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; L184-K188 PolarHBondContact O-N 3.12Å; L184-K188 VanDerWaalsContact O-N 3.15Å
185E89.9Confident81.2Confident117 Ų11786.6 Ų86.655%0.54743%0.428SS..Hα-helixtrans-72.1-45174.9-173172.6-18000111.8P181 D182 L183 D187 K188 N189P181-E185 PolarHBondContact O-N 3.23Å; D182-E185 PolarHBondContact O-N 3.01Å; L183-E185 VanDerWaalsContact C-N 3.33Å; E185-D187 VanDerWaalsContact C-N 3.27Å; E185-D187 PolarHBondContact O-N 2.95Å; E185-K188 PolarHBondContact O-N 3.37Å; E185-N189 VanDerWaalsContact O-CG 3.27Å; E185-N189 PolarHBondContact O-N 3.3Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 3.08Å
186M85.9Confident79.3Confident101 Ų10190 Ų9050%0.49845%0.448SS..Hα-helixtrans-57.9-42.5172.2-73.2-171.8-78.500111.2D182 L183 K188 N189 L190D182-M186 WeakPolarHBondContact O-CG 3.42Å; D182-M186 PolarHBondContact O-N 2.97Å; L183-M186 HydrophobicContact CD2-CE 3.86Å; L183-M186 HydrophobicContact CG-CE 4.3Å; M186-K188 PolarHBondContact O-N 2.9Å; M186-N189 WeakPolarHBondContact O-CB 3.17Å; M186-N189 PolarHBondContact O-N 3.3Å; M186-L190 WeakPolarHBondContact O-CD1 3.44Å; M186-L190 PolarHBondContact O-N 3.21Å
187D85.1Confident77.5Confident12 Ų1290.2 Ų90.26%0.06445%0.454CS..Hα-helixtrans-60.9-44.6178.2-169.854.9000113.1S168 L183 E185 N189 L190 Q191S168-D187 WeakPolarHBondContact CA-OD1 3.41Å; S168-D187 WeakPolarHBondContact CA-OD2 3.35Å; S168-D187 VanDerWaalsContact CB-CG 3.41Å; S168-D187 WeakPolarHBondContact CB-OD1 3.42Å; S168-D187 VanDerWaalsContact CB-OD2 3.23Å; S168-D187 WeakPolarHBondContact CB-OD2 3.49Å; S168-D187 PolarHBondContact N-OD1 3.44Å; S168-D187 PolarHBondContact N-OD2 3.33Å; S168-D187 PolarHBondContact OG-OD1 3.17Å; L183-D187 VanDerWaalsContact O-CB 3.31Å; L183-D187 WeakPolarHBondContact O-CB 3.42Å; L183-D187 PolarHBondContact O-N 3.16Å; E185-D187 VanDerWaalsContact C-N 3.27Å; E185-D187 PolarHBondContact O-N 2.95Å; D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 3.16Å; D187-L190 WeakPolarHBondContact O-CB 3.44Å; D187-L190 PolarHBondContact O-N 3Å; D187-L190 VanDerWaalsContact O-N 3.14Å; D187-Q191 WeakPolarHBondContact O-CG 3.4Å; D187-Q191 PolarHBondContact O-N 3.48Å; D187-Q191 PolarHBondContact OD2-NE2 3.22Å
188K84.8Confident76Confident139 Ų13990.6 Ų90.660%0.60447%0.468SS*.Hα-helixtrans-59.6-39.4173.8-72.5167.4-174.5173.70112.3L184 E185 M186 L190 Q191 G192L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; L184-K188 PolarHBondContact O-N 3.12Å; L184-K188 VanDerWaalsContact O-N 3.15Å; E185-K188 PolarHBondContact O-N 3.37Å; M186-K188 PolarHBondContact O-N 2.9Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 3.33Å; K188-Q191 PolarHBondContact O-N 3.01Å; K188-G192 PolarHBondContact O-N 3.44Å
189N81.6Confident74.2Confident108 Ų10888.6 Ų88.658%0.57847%0.473SS*.Hα-helixtrans-68.6-31.1178.2-65.7-16.6000112.1E185 M186 D187E185-N189 VanDerWaalsContact O-CG 3.27Å; E185-N189 PolarHBondContact O-N 3.3Å; E185-N189 VanDerWaalsContact O-N 3.1Å; E185-N189 PolarHBondContact O-ND2 3.08Å; M186-N189 WeakPolarHBondContact O-CB 3.17Å; M186-N189 PolarHBondContact O-N 3.3Å; D187-N189 VanDerWaalsContact C-N 3.29Å; D187-N189 PolarHBondContact O-N 3.16Å
190L77.6Confident72.6Confident89 Ų8988.3 Ų88.347%0.46647%0.471SS..Hα-helixtrans-70.9-42.1172.1-90.780000112.1M186 D187 K188 G192 R193 L194M186-L190 WeakPolarHBondContact O-CD1 3.44Å; M186-L190 PolarHBondContact O-N 3.21Å; D187-L190 WeakPolarHBondContact O-CB 3.44Å; D187-L190 PolarHBondContact O-N 3Å; D187-L190 VanDerWaalsContact O-N 3.14Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 3.33Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.03Å; L190-R193 PolarHBondContact O-N 3.38Å; L190-R193 VanDerWaalsContact O-N 3.13Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.05Å
191Q66Low70.9Confident95 Ų9591.4 Ų91.444%0.44449%0.485SS..Hα-helixtrans-58.6-42.2177.7-68.6177.819.100111.8S168 D187 K188 R193 L194 F195S168-Q191 VanDerWaalsContact CB-NE2 3.31Å; D187-Q191 WeakPolarHBondContact O-CG 3.4Å; D187-Q191 PolarHBondContact O-N 3.48Å; D187-Q191 PolarHBondContact OD2-NE2 3.22Å; K188-Q191 PolarHBondContact O-N 3.01Å; Q191-R193 PolarHBondContact O-N 3.43Å; Q191-L194 PolarHBondContact O-N 2.97Å; Q191-F195 VanDerWaalsContact O-CB 3.24Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.4Å
192G59.9Low69.3Low54 Ų5493.9 Ų93.956%0.55749%0.488SS*.Hα-helixtrans-62.7-27.3177.400000114.4K188 L190K188-G192 PolarHBondContact O-N 3.44Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.03Å
193R58.4Low67.8Low221 Ų22193.4 Ų93.483%0.83449%0.488SS*.Hα-helixtrans-92.6-24.7-178.8-145.4178.7-169.3-118.43.8113.4L190 Q191L190-R193 PolarHBondContact O-N 3.38Å; L190-R193 VanDerWaalsContact O-N 3.13Å; Q191-R193 PolarHBondContact O-N 3.43Å
194L54.3Low66.3Low117 Ų11796.2 Ų96.261%0.61350%0.503SS*.Hα-helixtrans-91.5-26.2179-69.1173.1000113.1L190 Q191L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.05Å; Q191-L194 PolarHBondContact O-N 2.97Å
195F51.3Low65.4Low130 Ų13095 Ų9557%0.5750%0.496SS*.Hα-helixtrans-84-22.6-176.6-162.1-104.7000114Q191 L204Q191-F195 VanDerWaalsContact O-CB 3.24Å; Q191-F195 WeakPolarHBondContact O-CB 3.2Å; Q191-F195 PolarHBondContact O-N 3.4Å; F195-L204 HydrophobicContact CD1-CD1 4.41Å; F195-L204 HydrophobicContact CD2-CD1 4.41Å; F195-L204 HydrophobicContact CE1-CD1 3.8Å; F195-L204 HydrophobicContact CE2-CD1 3.8Å; F195-L204 HydrophobicContact CZ-CD1 3.46Å; F195-L204 VanDerWaalsContact CZ-CD1 3.46Å
196V51.4Low64.9Low81 Ų8193 Ų9349%0.49150%0.495SS..  trans-122.467.5-176.5-1660000110.7E201V196-E201 HydrophobicContact CG1-CG 4.05Å; V196-E201 VanDerWaalsContact CG1-OE1 3.3Å; V196-E201 WeakPolarHBondContact CG1-OE1 3.41Å
197S54.3Low64.4Low47 Ų4794.4 Ų94.433%0.32950%0.501SS..  trans-94.4142.3157.968.90000108.5A199 N200 E201S197-A199 PolarHBondContact O-N 2.97Å; S197-N200 PolarHBondContact O-N 3.08Å; S197-N200 WeakPolarHBondContact OG-CB 3.42Å; S197-N200 PolarHBondContact OG-N 3.46Å; S197-E201 PolarHBondContact O-N 2.92Å
198P56.6Low64.3Low96 Ų9699 Ų9962%0.62353%0.525SS*.Hα-helixtrans-56.3-18.8177-27.134.7000114.2
199A54Low64.2Low73 Ų7396.8 Ų96.860%0.60352%0.518SS*.Hα-helixtrans-79-33.5172.900000112.8S197 T203S197-A199 PolarHBondContact O-N 2.97Å; A199-T203 PolarHBondContact O-OG1 3Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å
200N56.6Low64.1Low61 Ų6196.4 Ų96.433%0.32651%0.509SS..Hα-helixtrans-90.9-26.1-180-149.522.9000113.1S197 K202 T203 L204S197-N200 PolarHBondContact O-N 3.08Å; S197-N200 WeakPolarHBondContact OG-CB 3.42Å; S197-N200 PolarHBondContact OG-N 3.46Å; N200-K202 VanDerWaalsContact C-N 3.33Å; N200-K202 PolarHBondContact O-N 3.26Å; N200-T203 CarbonylContact O-C 3.58Å; N200-T203 WeakPolarHBondContact O-CA 3.24Å; N200-T203 WeakPolarHBondContact O-CB 3.48Å; N200-T203 PolarHBondContact O-N 3.47Å; N200-L204 PolarHBondContact O-N 3.08Å; N200-L204 VanDerWaalsContact O-N 3.08Å
201E57.4Low64.4Low100 Ų10097.5 Ų97.547%0.46751%0.51SS..Hα-helixtrans-54.8-50171.2-82-174.1153.300111V196 S197 T203 L204 L205V196-E201 HydrophobicContact CG1-CG 4.05Å; V196-E201 VanDerWaalsContact CG1-OE1 3.3Å; V196-E201 WeakPolarHBondContact CG1-OE1 3.41Å; S197-E201 PolarHBondContact O-N 2.92Å; E201-T203 PolarHBondContact O-N 2.8Å; E201-T203 VanDerWaalsContact O-N 3.15Å; E201-L204 PolarHBondContact O-N 3.15Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.12Å; E201-L205 VanDerWaalsContact O-N 3.16Å
202K57.8Low65.3Low132 Ų13296.6 Ų96.657%0.57451%0.506SS*.Hα-helixtrans-55.6-35.4176.4-62.6175.6-171.6-1780111.4N200 L204 L205 R210N200-K202 VanDerWaalsContact C-N 3.33Å; N200-K202 PolarHBondContact O-N 3.26Å; K202-L204 VanDerWaalsContact C-N 3.35Å; K202-L205 PolarHBondContact O-N 3.01Å; K202-R210 VanDerWaalsContact O-CZ 3.27Å; K202-R210 PolarHBondContact O-NE 2.95Å; K202-R210 PolarHBondContact O-NH2 3.16Å
203T60.3Low66.5Low84 Ų8497.4 Ų97.452%0.51550%0.497SS..Hα-helixtrans-79-16.1-177.7-46.50000113.3A199 N200 E201 R210A199-T203 PolarHBondContact O-OG1 3Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å; N200-T203 CarbonylContact O-C 3.58Å; N200-T203 WeakPolarHBondContact O-CA 3.24Å; N200-T203 WeakPolarHBondContact O-CB 3.48Å; N200-T203 PolarHBondContact O-N 3.47Å; E201-T203 PolarHBondContact O-N 2.8Å; E201-T203 VanDerWaalsContact O-N 3.15Å; T203-R210 PolarHBondContact O-NH2 3.25Å
204L59.6Low67.6Low98 Ų9893.4 Ų93.451%0.51349%0.487SS..Hα-helixtrans-97-11.5173.4-65.1173000113.4F195 N200 E201 K202F195-L204 HydrophobicContact CD1-CD1 4.41Å; F195-L204 HydrophobicContact CD2-CD1 4.41Å; F195-L204 HydrophobicContact CE1-CD1 3.8Å; F195-L204 HydrophobicContact CE2-CD1 3.8Å; F195-L204 HydrophobicContact CZ-CD1 3.46Å; F195-L204 VanDerWaalsContact CZ-CD1 3.46Å; N200-L204 PolarHBondContact O-N 3.08Å; N200-L204 VanDerWaalsContact O-N 3.08Å; E201-L204 PolarHBondContact O-N 3.15Å; K202-L204 VanDerWaalsContact C-N 3.35Å
205L69.7Low69.1Low40 Ų4094.2 Ų94.221%0.20948%0.482CS..SBendtrans-65.7136.8170.2-57.6-179.3000110.2E201 K202 M209 R210 L213E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 3.12Å; E201-L205 VanDerWaalsContact O-N 3.16Å; K202-L205 PolarHBondContact O-N 3.01Å; L205-M209 HydrophobicContact CB-CB 4.36Å; L205-M209 HydrophobicContact CB-CE 3.65Å; L205-M209 HydrophobicContact CB-CG 4.42Å; L205-M209 HydrophobicContact CD1-CG 4.41Å; L205-M209 HydrophobicContact CD2-CE 3.16Å; L205-M209 HydrophobicContact CD2-CG 4.37Å; L205-M209 HydrophobicContact CD2-SD 3.79Å; L205-M209 HydrophobicContact CG-CE 3.88Å; L205-R210 HydrophobicContact CB-CG 3.93Å; L205-R210 PolarHBondContact O-NE 3.15Å; L205-R210 PolarHBondContact O-NH2 3.2Å; L205-R210 VanDerWaalsContact O-NH2 3.15Å; L205-L213 HydrophobicContact CD1-CD1 3.38Å
206S79.4Confident70.8Confident74 Ų7491.9 Ų91.952%0.51747%0.473SS..  trans-52.7146.9167178.30000110.1D208 M209 R210S206-D208 PolarHBondContact O-N 2.65Å; S206-D208 VanDerWaalsContact O-N 3.08Å; S206-M209 PolarHBondContact O-N 3.42Å; S206-R210 PolarHBondContact O-N 2.71Å
207E76.1Confident72.4Confident131 Ų13193.8 Ų93.861%0.61248%0.477SS*.Hα-helixtrans-51.2-36178.6-71.7-163.7158.100112.5R210 K211E207-R210 PolarHBondContact O-N 3.23Å; E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.12Å
208D82.9Confident73.8Confident109 Ų10999.5 Ų99.558%0.58349%0.491SS*.Hα-helixtrans-71-35.6-179.9-66.9-21.9000112.4S206 K211 E212S206-D208 PolarHBondContact O-N 2.65Å; S206-D208 VanDerWaalsContact O-N 3.08Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 3.64Å; D208-E212 WeakPolarHBondContact O-CB 3.45Å; D208-E212 PolarHBondContact O-N 3.19Å
209M82Confident75.2Confident93 Ų9399 Ų9946%0.45848%0.481SS..Hα-helixtrans-73-30.4175.5-175.2167.74100111.7L205 S206 E212 L213L205-M209 HydrophobicContact CB-CB 4.36Å; L205-M209 HydrophobicContact CB-CE 3.65Å; L205-M209 HydrophobicContact CB-CG 4.42Å; L205-M209 HydrophobicContact CD1-CG 4.41Å; L205-M209 HydrophobicContact CD2-CE 3.16Å; L205-M209 HydrophobicContact CD2-CG 4.37Å; L205-M209 HydrophobicContact CD2-SD 3.79Å; L205-M209 HydrophobicContact CG-CE 3.88Å; S206-M209 PolarHBondContact O-N 3.42Å; M209-E212 PolarHBondContact O-N 3.15Å; M209-L213 WeakPolarHBondContact O-CG 3.26Å; M209-L213 PolarHBondContact O-N 2.87Å
210R80.1Confident76.6Confident99 Ų99101.1 Ų101.137%0.37448%0.478SS..Hα-helixtrans-65.8-46.7170.3-68.6-174.2-167.9150.217.9112.1K202 T203 L205 S206 E207 E212 L213 Q214K202-R210 VanDerWaalsContact O-CZ 3.27Å; K202-R210 PolarHBondContact O-NE 2.95Å; K202-R210 PolarHBondContact O-NH2 3.16Å; T203-R210 PolarHBondContact O-NH2 3.25Å; L205-R210 HydrophobicContact CB-CG 3.93Å; L205-R210 PolarHBondContact O-NE 3.15Å; L205-R210 PolarHBondContact O-NH2 3.2Å; L205-R210 VanDerWaalsContact O-NH2 3.15Å; S206-R210 PolarHBondContact O-N 2.71Å; E207-R210 PolarHBondContact O-N 3.23Å; R210-E212 PolarHBondContact O-N 3Å; R210-L213 PolarHBondContact O-N 3.2Å; R210-Q214 PolarHBondContact O-N 2.94Å
211K84.2Confident77.7Confident112 Ų112103 Ų10349%0.48749%0.485SS..Hα-helixtrans-59.9-38.9176.7-72.9170-170.2159.10110.7E207 D208 Q214 R215E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.12Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 3.64Å; K211-Q214 PolarHBondContact O-N 2.92Å; K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.91Å
212E84.6Confident78.7Confident77 Ų77102.9 Ų102.936%0.3648%0.484SS..Hα-helixtrans-69.5-40.7178.5-16955.7-152.700112.8D208 M209 R210 Q214 R215 Q216D208-E212 WeakPolarHBondContact O-CB 3.45Å; D208-E212 PolarHBondContact O-N 3.19Å; M209-E212 PolarHBondContact O-N 3.15Å; R210-E212 PolarHBondContact O-N 3Å; E212-Q214 VanDerWaalsContact C-N 3.33Å; E212-Q214 PolarHBondContact O-N 3.08Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.26Å; E212-R215 IonicContact OE2-CZ 3.15Å; E212-R215 IonicContact OE2-NE 3.83Å; E212-R215 PolarHBondContact OE2-NE 2.85Å; E212-Q216 WeakPolarHBondContact O-CG 3.27Å; E212-Q216 PolarHBondContact O-N 2.86Å
213L85.6Confident79.8Confident71 Ų71102.1 Ų102.137%0.37248%0.478SS..Hα-helixtrans-62.9-40172.5-77.5173.7000112.4L205 M209 R210 R215 Q216 Q217L205-L213 HydrophobicContact CD1-CD1 3.38Å; M209-L213 WeakPolarHBondContact O-CG 3.26Å; M209-L213 PolarHBondContact O-N 2.87Å; R210-L213 PolarHBondContact O-N 3.2Å; L213-R215 VanDerWaalsContact C-N 3.32Å; L213-Q216 PolarHBondContact O-N 3.44Å; L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.47Å; L213-Q217 PolarHBondContact O-N 3.13Å
214Q81.3Confident80.6Confident136 Ų136103 Ų10364%0.63648%0.476SS*.Hα-helixtrans-66.3-37175.9-168.3176.55.600111.5R210 K211 E212 W218R210-Q214 PolarHBondContact O-N 2.94Å; K211-Q214 PolarHBondContact O-N 2.92Å; E212-Q214 VanDerWaalsContact C-N 3.33Å; E212-Q214 PolarHBondContact O-N 3.08Å; Q214-W218 WeakPolarHBondContact O-CB 3.33Å; Q214-W218 PolarHBondContact O-N 3.46Å
215R86.3Confident81.3Confident134 Ų134100.4 Ų100.451%0.50647%0.468SS..Hα-helixtrans-62.5-46.8171.9-176.1-163-55.3-74.7-4.8111.1K211 E212 L213 Q217 W218 E219K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.91Å; E212-R215 WeakPolarHBondContact O-CB 3.39Å; E212-R215 PolarHBondContact O-N 3.26Å; E212-R215 IonicContact OE2-CZ 3.15Å; E212-R215 IonicContact OE2-NE 3.83Å; E212-R215 PolarHBondContact OE2-NE 2.85Å; L213-R215 VanDerWaalsContact C-N 3.32Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.42Å; R215-W218 WeakPolarHBondContact O-CB 3.46Å; R215-W218 PolarHBondContact O-N 3.46Å; R215-W218 VanDerWaalsContact O-N 3.16Å; R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 WeakPolarHBondContact O-CG 3.41Å; R215-E219 PolarHBondContact O-N 3.37Å
216Q87.5Confident81.4Confident82 Ų82104.9 Ų104.938%0.38349%0.492SS..Hα-helixtrans-61.7-42.6179.1-73.2174.819.900111.6E212 L213 W218 E219 E220E212-Q216 WeakPolarHBondContact O-CG 3.27Å; E212-Q216 PolarHBondContact O-N 2.86Å; L213-Q216 PolarHBondContact O-N 3.44Å; Q216-W218 VanDerWaalsContact C-N 3.33Å; Q216-W218 PolarHBondContact O-N 2.84Å; Q216-E219 PolarHBondContact O-N 3.28Å; Q216-E220 WeakPolarHBondContact O-CB 3.24Å; Q216-E220 VanDerWaalsContact O-CG 3.3Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.01Å
217Q84.6Confident81.2Confident121 Ų121109.1 Ų109.157%0.56550%0.501SS*.Hα-helixtrans-59.3-44.8173.3-73.5173.3-4.900111.6L213 R215 E220 E221L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.47Å; L213-Q217 PolarHBondContact O-N 3.13Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.42Å; Q217-E220 PolarHBondContact O-N 2.85Å; Q217-E221 WeakPolarHBondContact O-CB 3.44Å; Q217-E221 PolarHBondContact O-N 3.24Å
218W83.3Confident81Confident166 Ų166108.7 Ų108.763%0.62949%0.494SS*.Hα-helixtrans-62-44.2175.5-170.5-77.1000112.2Q214 R215 Q216 E220 E221 E222Q214-W218 WeakPolarHBondContact O-CB 3.33Å; Q214-W218 PolarHBondContact O-N 3.46Å; R215-W218 WeakPolarHBondContact O-CB 3.46Å; R215-W218 PolarHBondContact O-N 3.46Å; R215-W218 VanDerWaalsContact O-N 3.16Å; Q216-W218 VanDerWaalsContact C-N 3.33Å; Q216-W218 PolarHBondContact O-N 2.84Å; W218-E220 VanDerWaalsContact C-N 3.35Å; W218-E221 PolarHBondContact O-N 2.9Å; W218-E222 WeakPolarHBondContact O-CB 3.32Å; W218-E222 WeakPolarHBondContact O-CG 3.35Å; W218-E222 PolarHBondContact O-N 3.43Å
219E85.8Confident80.4Confident87 Ų87109.5 Ų109.541%0.40751%0.505SS..Hα-helixtrans-66.3-35.9177.8-75.7-178.6-166.200112.7R215 Q216 R223R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 WeakPolarHBondContact O-CG 3.41Å; R215-E219 PolarHBondContact O-N 3.37Å; Q216-E219 PolarHBondContact O-N 3.28Å; E219-R223 WeakPolarHBondContact O-CB 3.44Å; E219-R223 PolarHBondContact O-N 3.39Å
220E84.3Confident79.3Confident116 Ų116113.9 Ų113.954%0.54253%0.526SS..Hα-helixtrans-68.4-44174.3-76.8176.8178.200111.7Q216 Q217 W218 R223 E224Q216-E220 WeakPolarHBondContact O-CB 3.24Å; Q216-E220 VanDerWaalsContact O-CG 3.3Å; Q216-E220 WeakPolarHBondContact O-CG 3.49Å; Q216-E220 PolarHBondContact O-N 3.01Å; Q217-E220 PolarHBondContact O-N 2.85Å; W218-E220 VanDerWaalsContact C-N 3.35Å; E220-R223 PolarHBondContact O-N 2.99Å; E220-E224 WeakPolarHBondContact O-CB 3.15Å; E220-E224 PolarHBondContact O-N 3.41Å
221E79.6Confident78.7Confident100 Ų100111.2 Ų111.247%0.46753%0.53SS..Hα-helixtrans-63.2-45.1176.2-171.3177.9-179.500111.4Q217 W218 R223 E224 A225Q217-E221 WeakPolarHBondContact O-CB 3.44Å; Q217-E221 PolarHBondContact O-N 3.24Å; W218-E221 PolarHBondContact O-N 2.9Å; E221-R223 PolarHBondContact O-N 3.16Å; E221-E224 PolarHBondContact O-N 3.13Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.49Å
222E78.3Confident78.4Confident98 Ų98111.7 Ų111.746%0.45854%0.544SS..Hα-helixtrans-61.3-43.2173.4-80.9-71.6147.900111.6W218 E224 A225 L226W218-E222 WeakPolarHBondContact O-CB 3.32Å; W218-E222 WeakPolarHBondContact O-CG 3.35Å; W218-E222 PolarHBondContact O-N 3.43Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.39Å; E222-A225 PolarHBondContact O-N 3.4Å; E222-L226 WeakPolarHBondContact O-CB 3.34Å; E222-L226 WeakPolarHBondContact O-CG 3.15Å; E222-L226 PolarHBondContact O-N 2.97Å
223R80.1Confident78Confident117 Ų117113 Ų11344%0.44256%0.557SS.*Hα-helixtrans-65.4-36.3176.9-172.1-176.2-62.6111.11111.5E219 E220 E221 K227E219-R223 WeakPolarHBondContact O-CB 3.44Å; E219-R223 PolarHBondContact O-N 3.39Å; E220-R223 PolarHBondContact O-N 2.99Å; E221-R223 PolarHBondContact O-N 3.16Å; R223-K227 WeakPolarHBondContact O-CB 3.36Å; R223-K227 VanDerWaalsContact O-CG 3.26Å; R223-K227 WeakPolarHBondContact O-CG 3.36Å; R223-K227 PolarHBondContact O-N 3.39Å
224E77.5Confident77.9Confident102 Ų102112.2 Ų112.248%0.47755%0.552SS.*Hα-helixtrans-71.8-40.1175.4-156.5-169.3169.400111.3E220 E221 E222 L226 K227 R228E220-E224 WeakPolarHBondContact O-CB 3.15Å; E220-E224 PolarHBondContact O-N 3.41Å; E221-E224 PolarHBondContact O-N 3.13Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.39Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.2Å; E224-K227 PolarHBondContact O-N 3Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 IonicContact OE1-CZ 2.74Å; E224-R228 IonicContact OE1-NE 2.75Å; E224-R228 IonicContact OE1-NH2 3.44Å; E224-R228 PolarHBondContact OE1-NH2 3.04Å; E224-R228 IonicContact OE2-CZ 3.99Å; E224-R228 IonicContact OE2-NH1 2.83Å; E224-R228 IonicContact OE2-NH2 3.77Å; E224-R228 PolarHBondContact OE2-NH2 3.13Å
225A73.8Confident78Confident43 Ų43109.8 Ų109.836%0.35554%0.537SS..Hα-helixtrans-60.9-40.3173.500000112E221 E222 R228E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.49Å; E222-A225 PolarHBondContact O-N 3.4Å; A225-R228 PolarHBondContact O-N 3.27Å
226L72.4Confident78Confident135 Ų135104 Ų10471%0.70752%0.516SS*.Hα-helixtrans-70.2-32.5173.9-74.3166.3000113.2E222 E224E222-L226 WeakPolarHBondContact O-CB 3.34Å; E222-L226 WeakPolarHBondContact O-CG 3.15Å; E222-L226 PolarHBondContact O-N 2.97Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.2Å
227K74.6Confident77.7Confident162 Ų162103.6 Ų103.670%0.70452%0.517SS*.Hα-helixtrans-72.7-29.3174.2-79.9174.7-179.9-1800112.3R223 E224R223-K227 WeakPolarHBondContact O-CB 3.36Å; R223-K227 VanDerWaalsContact O-CG 3.26Å; R223-K227 WeakPolarHBondContact O-CG 3.36Å; R223-K227 PolarHBondContact O-N 3.39Å; E224-K227 PolarHBondContact O-N 3Å
228R73.4Confident77.6Confident123 Ų123102.6 Ų102.646%0.46451%0.514SS..SBendtrans-64.7127.5175-75.1174.2-169.3120.70.1108.3E224 A225 M230E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 IonicContact OE1-CZ 2.74Å; E224-R228 IonicContact OE1-NE 2.75Å; E224-R228 IonicContact OE1-NH2 3.44Å; E224-R228 PolarHBondContact OE1-NH2 3.04Å; E224-R228 IonicContact OE2-CZ 3.99Å; E224-R228 IonicContact OE2-NH1 2.83Å; E224-R228 IonicContact OE2-NH2 3.77Å; E224-R228 PolarHBondContact OE2-NH2 3.13Å; A225-R228 PolarHBondContact O-N 3.27Å; R228-M230 PolarHBondContact O-N 3.23Å; R228-M230 VanDerWaalsContact O-N 3.11Å
229P69.4Low77.5Confident125 Ų12599.5 Ų99.581%0.81250%0.502SS*.  trans-59.3122.6-179.823.7-32.3000108.9G231P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 3.37Å
230M58Low77.1Confident185 Ų185101.8 Ų101.891%0.91151%0.513SS*.  trans-56.495.6179.5-68.7-70.8-77.100109.8R228R228-M230 PolarHBondContact O-N 3.23Å; R228-M230 VanDerWaalsContact O-N 3.11Å
231G68.8Low76.6Confident43 Ų43102.7 Ų102.744%0.44352%0.522SS..  trans-125.7176.317800000110.6P229 V233P229-G231 VanDerWaalsContact C-N 3.35Å; P229-G231 PolarHBondContact O-N 3.37Å; G231-V233 PolarHBondContact O-N 3Å
232P78.2Confident76.7Confident122 Ų122100.6 Ų100.679%0.79251%0.512SS*.  trans-57110.7173.4-20.931.9000109.8
233V75.4Confident76.5Confident104 Ų104101.3 Ų101.363%0.6353%0.534SS*.  trans-66.2132.4-179-174.10000108.9G231 D237 I238G231-V233 PolarHBondContact O-N 3Å; V233-D237 HydrophobicContact CG1-CB 4.19Å; V233-I238 HydrophobicContact CG1-CD1 3.61Å; V233-I238 HydrophobicContact CG1-CG1 3.74Å
234H83.2Confident76.7Confident55 Ų55105.1 Ų105.126%0.25555%0.549SS..  trans-96.8153.2177.4-177.869.4000111E236 D237 R260H234-E236 VanDerWaalsContact C-N 3.29Å; H234-E236 PolarHBondContact CD2-N 3.47Å; H234-E236 PolarHBondContact O-N 3.49Å; H234-D237 WeakPolarHBondContact CB-OD2 3.4Å; H234-D237 PolarHBondContact N-OD2 3.2Å; H234-D237 VanDerWaalsContact N-OD2 3.15Å; H234-D237 VanDerWaalsContact O-CB 3.31Å; H234-D237 WeakPolarHBondContact O-CB 3.45Å; H234-D237 PolarHBondContact O-N 3.26Å; H234-R260 PolarHBondContact CD2-NE 3.34Å; H234-R260 PolarHBondContact CD2-NH2 3.2Å; H234-R260 VanDerWaalsContact CG-NH1 3.34Å
235Y83.8Confident77Confident86 Ų86109.5 Ų109.534%0.33757%0.569SS.*Hα-helixtrans-57-39.5-176.4178.8-105.9000113.4D237 I238 R239 E242 L246 Y250Y235-D237 PolarHBondContact O-N 3.47Å; Y235-D237 VanDerWaalsContact O-N 3.16Å; Y235-I238 PolarHBondContact O-N 3.01Å; Y235-R239 PolarHBondContact O-N 3.13Å; Y235-E242 WeakPolarHBondContact CE2-OE2 3.35Å; Y235-E242 PolarHBondContact OH-OE1 2.9Å; Y235-E242 PolarHBondContact OH-OE2 3.24Å; Y235-L246 HydrophobicContact CE1-CD2 4Å; Y235-L246 VanDerWaalsContact OH-CD2 3.29Å; Y235-L246 WeakPolarHBondContact OH-CD2 3.48Å; Y235-Y250 AromaticContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CE1-CD2 4.46Å; Y235-Y250 AromaticContact CE1-CE2 3.53Å; Y235-Y250 HydrophobicContact CE1-CE2 3.53Å
236E85.6Confident77.5Confident11 Ų11110.1 Ų110.15%0.05157%0.566CS.*Hα-helixtrans-60.2-25.1175.9-162.670.5-147.800113.1H234 I238 R239 Y250 F253 R255H234-E236 VanDerWaalsContact C-N 3.29Å; H234-E236 PolarHBondContact CD2-N 3.47Å; H234-E236 PolarHBondContact O-N 3.49Å; E236-I238 VanDerWaalsContact C-N 3.31Å; E236-R239 WeakPolarHBondContact OE1-CD 3.06Å; E236-R239 IonicContact OE1-CZ 3.59Å; E236-R239 IonicContact OE1-NE 2.7Å; E236-R239 IonicContact OE1-NH1 3.95Å; E236-R239 PolarHBondContact OE1-NH1 3.48Å; E236-R239 IonicContact OE2-NH1 3.73Å; E236-Y250 PolarHBondContact OE2-OH 2.85Å; E236-F253 WeakPolarHBondContact CG-O 3.48Å; E236-R255 HydrophobicContact CG-CG 4.21Å
237D81.7Confident78.2Confident75 Ų75106.4 Ų106.440%0.40156%0.561SS.*Hα-helixtrans-78.5-17.7-179.6-49.5-34.7000111.9V233 H234 Y235 R260V233-D237 HydrophobicContact CG1-CB 4.19Å; H234-D237 WeakPolarHBondContact CB-OD2 3.4Å; H234-D237 PolarHBondContact N-OD2 3.2Å; H234-D237 VanDerWaalsContact N-OD2 3.15Å; H234-D237 VanDerWaalsContact O-CB 3.31Å; H234-D237 WeakPolarHBondContact O-CB 3.45Å; H234-D237 PolarHBondContact O-N 3.26Å; Y235-D237 PolarHBondContact O-N 3.47Å; Y235-D237 VanDerWaalsContact O-N 3.16Å; D237-R260 IonicContact OD1-NH2 3.74Å; D237-R260 PolarHBondContact OD1-NH2 3.47Å; D237-R260 IonicContact OD2-NH2 3.75Å
238I81.9Confident78.9Confident100 Ų100106.2 Ų106.251%0.51357%0.572SS.*Hα-helixtrans-110.2-6.9178.1-50.8170.3000111V233 Y235 E236 E240 N241V233-I238 HydrophobicContact CG1-CD1 3.61Å; V233-I238 HydrophobicContact CG1-CG1 3.74Å; Y235-I238 PolarHBondContact O-N 3.01Å; E236-I238 VanDerWaalsContact C-N 3.31Å; I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 3.44Å; I238-E240 VanDerWaalsContact O-N 3.15Å; I238-N241 PolarHBondContact O-N 3.16Å; I238-N241 VanDerWaalsContact O-N 3.16Å
239R82.3Confident79.5Confident100 Ų100103.7 Ų103.738%0.37759%0.585SS.*G310 helixtrans-56-35.6-171.7179.5-174.1173.7-155.8-5.3114Y235 E236 N241 E242Y235-R239 PolarHBondContact O-N 3.13Å; E236-R239 WeakPolarHBondContact OE1-CD 3.06Å; E236-R239 IonicContact OE1-CZ 3.59Å; E236-R239 IonicContact OE1-NE 2.7Å; E236-R239 IonicContact OE1-NH1 3.95Å; E236-R239 PolarHBondContact OE1-NH1 3.48Å; E236-R239 IonicContact OE2-NH1 3.73Å; R239-N241 PolarHBondContact O-N 2.87Å; R239-N241 VanDerWaalsContact O-N 3.12Å; R239-E242 WeakPolarHBondContact O-CB 3.3Å; R239-E242 PolarHBondContact O-N 2.84Å
240E76.7Confident80.5Confident136 Ų136100.6 Ų100.664%0.63656%0.557SS**G310 helixtrans-60.8-24.8-175.8-64.2-176.1173.100112.4I238 R255I238-E240 VanDerWaalsContact C-N 3.26Å; I238-E240 PolarHBondContact O-N 3.44Å; I238-E240 VanDerWaalsContact O-N 3.15Å; E240-R255 IonicContact OE1-CZ 3.99Å; E240-R255 VanDerWaalsContact OE1-CZ 3.28Å; E240-R255 IonicContact OE1-NH1 2.92Å; E240-R255 PolarHBondContact OE1-NH1 3.44Å; E240-R255 VanDerWaalsContact OE1-NH1 3.16Å; E240-R255 IonicContact OE1-NH2 3.56Å; E240-R255 PolarHBondContact OE1-NH2 2.94Å
241N74.9Confident81.9Confident135 Ų13597.7 Ų97.772%0.72254%0.54SS*.G310 helixtrans-94.98.6178.1-66.2-32000113.6I238 R239I238-N241 PolarHBondContact O-N 3.16Å; I238-N241 VanDerWaalsContact O-N 3.16Å; R239-N241 PolarHBondContact O-N 2.87Å; R239-N241 VanDerWaalsContact O-N 3.12Å
242E80.7Confident83Confident56 Ų5698.1 Ų98.126%0.26254%0.539SS..  trans-97.9118.5-175.9-172.9167.1-177.400113.7Y235 R239 R244Y235-E242 WeakPolarHBondContact CE2-OE2 3.35Å; Y235-E242 PolarHBondContact OH-OE1 2.9Å; Y235-E242 PolarHBondContact OH-OE2 3.24Å; R239-E242 WeakPolarHBondContact O-CB 3.3Å; R239-E242 PolarHBondContact O-N 2.84Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 HydrophobicContact CG-CB 3.92Å; E242-R244 HydrophobicContact CG-CG 4.22Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-R244 WeakPolarHBondContact OE1-CD 3.27Å
243A74.5Confident83.5Confident112 Ų11294.1 Ų94.193%0.92651%0.509SS*.  trans-80-1.3177.900000114.5
244R84.9Confident84.2Confident198 Ų19890.3 Ų90.375%0.74749%0.489SS*.SBendtrans-87.4139.8-176.4-62.2-177.5-174.51592.4111.1E242E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 HydrophobicContact CG-CB 3.92Å; E242-R244 HydrophobicContact CG-CG 4.22Å; E242-R244 PolarHBondContact O-N 3.18Å; E242-R244 WeakPolarHBondContact OE1-CD 3.27Å
245Q82.9Confident84.3Confident194 Ų19494.2 Ų94.291%0.90750%0.501SS*.PPolyproline II helixtrans-77.6126.1172.5-169.3165.95.100110.5
246L84.6Confident84.6Confident56 Ų5695.1 Ų95.129%0.29351%0.512SS..PPolyproline II helixtrans-78.9133.8176.4-69.7164.5000110.1Y235 Y250Y235-L246 HydrophobicContact CE1-CD2 4Å; Y235-L246 VanDerWaalsContact OH-CD2 3.29Å; Y235-L246 WeakPolarHBondContact OH-CD2 3.48Å; L246-Y250 HydrophobicContact CB-CD1 4.21Å; L246-Y250 HydrophobicContact CB-CD2 4.47Å; L246-Y250 HydrophobicContact CB-CG 3.94Å; L246-Y250 HydrophobicContact CD1-CD1 3.65Å; L246-Y250 HydrophobicContact CD1-CD2 4.04Å; L246-Y250 HydrophobicContact CD1-CE1 3.54Å; L246-Y250 HydrophobicContact CD1-CE2 3.93Å; L246-Y250 HydrophobicContact CD1-CG 3.87Å; L246-Y250 HydrophobicContact CD2-CD2 3.55Å; L246-Y250 HydrophobicContact CD2-CE2 3.86Å; L246-Y250 HydrophobicContact CD2-CG 3.89Å; L246-Y250 HydrophobicContact CG-CD1 4.34Å; L246-Y250 HydrophobicContact CG-CD2 4.22Å; L246-Y250 HydrophobicContact CG-CE2 4.48Å; L246-Y250 HydrophobicContact CG-CG 4.11Å
247G87.8Confident84.6Confident57 Ų57101 Ų10159%0.58854%0.538SS*.  trans-79.7175.4178.800000113.2G249 Y250G247-G249 PolarHBondContact O-N 3.02Å; G247-Y250 VanDerWaalsContact O-CB 3.31Å; G247-Y250 WeakPolarHBondContact O-CB 3.42Å; G247-Y250 PolarHBondContact O-N 3Å
248V87.4Confident85Confident157 Ų157104.2 Ų104.295%0.95255%0.55SS**THydrogen-bonded Turntrans-59.3-20.3-178.1-175.90000113.7Y250V248-Y250 VanDerWaalsContact C-N 3.29Å; V248-Y250 PolarHBondContact O-N 3.05Å
249G86.7Confident85.5Confident70 Ų70103.3 Ų103.372%0.72255%0.546SS*.THydrogen-bonded Turntrans-83.21.1176.900000114.9G247G247-G249 PolarHBondContact O-N 3.02Å
250Y89.7Confident85.9Confident61 Ų6199.6 Ų99.624%0.23953%0.532CS..  trans-81135.2180-176.1-103.2000112.1Y235 E236 L246 G247 V248 A252Y235-Y250 AromaticContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CD1-CE2 3.82Å; Y235-Y250 HydrophobicContact CE1-CD2 4.46Å; Y235-Y250 AromaticContact CE1-CE2 3.53Å; Y235-Y250 HydrophobicContact CE1-CE2 3.53Å; E236-Y250 PolarHBondContact OE2-OH 2.85Å; L246-Y250 HydrophobicContact CB-CD1 4.21Å; L246-Y250 HydrophobicContact CB-CD2 4.47Å; L246-Y250 HydrophobicContact CB-CG 3.94Å; L246-Y250 HydrophobicContact CD1-CD1 3.65Å; L246-Y250 HydrophobicContact CD1-CD2 4.04Å; L246-Y250 HydrophobicContact CD1-CE1 3.54Å; L246-Y250 HydrophobicContact CD1-CE2 3.93Å; L246-Y250 HydrophobicContact CD1-CG 3.87Å; L246-Y250 HydrophobicContact CD2-CD2 3.55Å; L246-Y250 HydrophobicContact CD2-CE2 3.86Å; L246-Y250 HydrophobicContact CD2-CG 3.89Å; L246-Y250 HydrophobicContact CG-CD1 4.34Å; L246-Y250 HydrophobicContact CG-CD2 4.22Å; L246-Y250 HydrophobicContact CG-CE2 4.48Å; L246-Y250 HydrophobicContact CG-CG 4.11Å; G247-Y250 VanDerWaalsContact O-CB 3.31Å; G247-Y250 WeakPolarHBondContact O-CB 3.42Å; G247-Y250 PolarHBondContact O-N 3Å; V248-Y250 VanDerWaalsContact C-N 3.29Å; V248-Y250 PolarHBondContact O-N 3.05Å; Y250-A252 HydrophobicContact CD1-CB 4.44Å; Y250-A252 HydrophobicContact CE1-CB 3.74Å
251F89.3Confident86.6Confident123 Ų12396.7 Ų96.754%0.53952%0.52SS..  trans-118.1119.5170.8-68.8-82.6000109.3F253F251-F253 HydrophobicContact CB-CD2 4.47Å; F251-F253 HydrophobicContact CB-CE1 4.23Å; F251-F253 HydrophobicContact CB-CE2 3.85Å; F251-F253 HydrophobicContact CB-CZ 3.7Å; F251-F253 HydrophobicContact CG-CZ 4.46Å; F251-F253 WeakPolarHBondContact O-CD2 3.32Å; F251-F253 PolarHBondContact O-N 3.4Å
252A89.9Confident87.6Confident53 Ų5396.1 Ų96.144%0.43851%0.512SS..  trans-80.994.1177.300000109.4Y250Y250-A252 HydrophobicContact CD1-CB 4.44Å; Y250-A252 HydrophobicContact CE1-CB 3.74Å
253F90.4Very high88.2Confident37 Ų3795.6 Ų95.616%0.16251%0.509CS..  trans-79.3163.4177.7-63.8-68000111.9E236 F251 R260 Q263 M264 L267E236-F253 WeakPolarHBondContact CG-O 3.48Å; F251-F253 HydrophobicContact CB-CD2 4.47Å; F251-F253 HydrophobicContact CB-CE1 4.23Å; F251-F253 HydrophobicContact CB-CE2 3.85Å; F251-F253 HydrophobicContact CB-CZ 3.7Å; F251-F253 HydrophobicContact CG-CZ 4.46Å; F251-F253 WeakPolarHBondContact O-CD2 3.32Å; F251-F253 PolarHBondContact O-N 3.4Å; F253-R260 HydrophobicContact CB-CB 4.4Å; F253-R260 HydrophobicContact CB-CG 3.8Å; F253-R260 HydrophobicContact CG-CG 4.28Å; F253-Q263 HydrophobicContact CD1-CB 3.62Å; F253-Q263 HydrophobicContact CD1-CG 4.43Å; F253-Q263 HydrophobicContact CE1-CB 3.94Å; F253-M264 HydrophobicContact CD2-SD 4.21Å; F253-M264 HydrophobicContact CE1-SD 3.91Å; F253-M264 HydrophobicContact CE2-SD 3.5Å; F253-M264 VanDerWaalsContact CE2-SD 3.5Å; F253-M264 HydrophobicContact CZ-CG 4.45Å; F253-M264 HydrophobicContact CZ-SD 3.33Å; F253-M264 WeakPolarHBondContact CZ-SD 3.42Å; F253-L267 HydrophobicContact CE1-CD1 3.53Å; F253-L267 HydrophobicContact CZ-CD1 3.4Å; F253-L267 VanDerWaalsContact CZ-CD1 3.4Å
254A90.3Very high89.1Confident24 Ų2494.4 Ų94.420%0.19849%0.485CS..  trans-60.2148.5175.200000112.1D256 L259 R260A254-D256 VanDerWaalsContact C-N 3.26Å; A254-L259 HydrophobicContact CB-CB 3.73Å; A254-L259 HydrophobicContact CB-CD1 4.47Å; A254-R260 PolarHBondContact O-NE 3.04Å; A254-R260 PolarHBondContact O-NH2 3.17Å
255R85.1Confident89.6Confident138 Ų13891.9 Ų91.952%0.52148%0.48SS..SBendtrans-65.8-32.7170.1-65.6-179.1-169.6174.83.4111.3E236 E240 K257 R260E236-R255 HydrophobicContact CG-CG 4.21Å; E240-R255 IonicContact OE1-CZ 3.99Å; E240-R255 VanDerWaalsContact OE1-CZ 3.28Å; E240-R255 IonicContact OE1-NH1 2.92Å; E240-R255 PolarHBondContact OE1-NH1 3.44Å; E240-R255 VanDerWaalsContact OE1-NH1 3.16Å; E240-R255 IonicContact OE1-NH2 3.56Å; E240-R255 PolarHBondContact OE1-NH2 2.94Å; R255-K257 PolarHBondContact O-N 3.36Å; R255-R260 PolarHBondContact O-NH2 3.08Å
256D88.6Confident90.2Very high104 Ų10486 Ų8656%0.55646%0.457SS*.SBendtrans-68.6121.8175.6-65.1-28.5000111.9A254 E258 L259 R260A254-D256 VanDerWaalsContact C-N 3.26Å; D256-E258 VanDerWaalsContact C-N 3.27Å; D256-E258 PolarHBondContact O-N 3.36Å; D256-L259 HydrophobicContact CB-CB 4.15Å; D256-L259 HydrophobicContact CB-CD1 4.06Å; D256-L259 HydrophobicContact CB-CG 4.14Å; D256-L259 PolarHBondContact O-N 2.98Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.05Å
257K86.2Confident90.7Very high136 Ų13686.2 Ų86.259%0.59146%0.458SS*.Hα-helixtrans-55.6-39.7-177.7-174.5177.8-178.7-179.60113R255 N261R255-K257 PolarHBondContact O-N 3.36Å; K257-N261 WeakPolarHBondContact O-CB 3.48Å; K257-N261 PolarHBondContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 2.85Å
258E90.2Very high91.1Very high142 Ų14287.2 Ų87.266%0.66445%0.448SS*.Hα-helixtrans-70.8-44.4-178.7-63.6-168.7174.300112.6D256 N261 K262D256-E258 VanDerWaalsContact C-N 3.27Å; D256-E258 PolarHBondContact O-N 3.36Å; E258-N261 PolarHBondContact O-N 3.11Å; E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.61Å
259L91.8Very high91.5Very high80 Ų8085 Ų8542%0.41943%0.428SS..Hα-helixtrans-65-44.2177.4-67.2179.6000110.5A254 D256 N261 K262 Q263A254-L259 HydrophobicContact CB-CB 3.73Å; A254-L259 HydrophobicContact CB-CD1 4.47Å; D256-L259 HydrophobicContact CB-CB 4.15Å; D256-L259 HydrophobicContact CB-CD1 4.06Å; D256-L259 HydrophobicContact CB-CG 4.14Å; D256-L259 PolarHBondContact O-N 2.98Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.44Å; L259-K262 WeakPolarHBondContact O-CB 3.49Å; L259-K262 PolarHBondContact O-N 3.26Å; L259-K262 VanDerWaalsContact O-N 3.14Å; L259-Q263 WeakPolarHBondContact O-CG 3.48Å; L259-Q263 PolarHBondContact O-N 2.95Å
260R90.7Very high92Very high23 Ų2386 Ų869%0.08742%0.417CS..Hα-helixtrans-56.5-46.6172.6-178.6-173.7-50.2148.5-5.1112.2H234 D237 F253 A254 R255 D256 K262 Q263 M264H234-R260 PolarHBondContact CD2-NE 3.34Å; H234-R260 PolarHBondContact CD2-NH2 3.2Å; H234-R260 VanDerWaalsContact CG-NH1 3.34Å; D237-R260 IonicContact OD1-NH2 3.74Å; D237-R260 PolarHBondContact OD1-NH2 3.47Å; D237-R260 IonicContact OD2-NH2 3.75Å; F253-R260 HydrophobicContact CB-CB 4.4Å; F253-R260 HydrophobicContact CB-CG 3.8Å; F253-R260 HydrophobicContact CG-CG 4.28Å; A254-R260 PolarHBondContact O-NE 3.04Å; A254-R260 PolarHBondContact O-NH2 3.17Å; R255-R260 PolarHBondContact O-NH2 3.08Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.05Å; R260-K262 VanDerWaalsContact C-N 3.28Å; R260-K262 PolarHBondContact O-N 3.4Å; R260-Q263 WeakPolarHBondContact O-CB 3.38Å; R260-Q263 PolarHBondContact O-N 3.02Å; R260-M264 HydrophobicContact CG-CG 4.48Å; R260-M264 WeakPolarHBondContact O-CB 3.48Å; R260-M264 WeakPolarHBondContact O-CG 3.47Å; R260-M264 PolarHBondContact O-N 3.32Å
261N92Very high92.2Very high74 Ų7490.6 Ų90.640%0.39643%0.433SS..Hα-helixtrans-63-36.4178.3-76.2-19.5000112K257 E258 L259 K265K257-N261 WeakPolarHBondContact O-CB 3.48Å; K257-N261 PolarHBondContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 2.85Å; E258-N261 PolarHBondContact O-N 3.11Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.44Å; N261-K265 WeakPolarHBondContact O-CB 3.27Å; N261-K265 VanDerWaalsContact O-CG 3.23Å; N261-K265 WeakPolarHBondContact O-CG 3.39Å; N261-K265 PolarHBondContact O-N 3.49Å
262K95.9Very high92.6Very high124 Ų12489.8 Ų89.854%0.53943%0.431SS..Hα-helixtrans-64.5-47.9172.8-69.6168.6-176171.80110.6E258 L259 R260 M264 K265 T266E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.61Å; L259-K262 WeakPolarHBondContact O-CB 3.49Å; L259-K262 PolarHBondContact O-N 3.26Å; L259-K262 VanDerWaalsContact O-N 3.14Å; R260-K262 VanDerWaalsContact C-N 3.28Å; R260-K262 PolarHBondContact O-N 3.4Å; K262-M264 VanDerWaalsContact C-N 3.35Å; K262-M264 PolarHBondContact O-N 3.17Å; K262-K265 PolarHBondContact O-N 3.43Å; K262-T266 WeakPolarHBondContact O-CG2 3.34Å; K262-T266 PolarHBondContact O-N 2.85Å; K262-T266 PolarHBondContact O-OG1 3.28Å
263Q93.4Very high92.9Very high44 Ų4492.1 Ų92.121%0.20643%0.433CS..Hα-helixtrans-58-45.5176.7-68.4168-25.300111.7F253 L259 R260 K265 T266 L267F253-Q263 HydrophobicContact CD1-CB 3.62Å; F253-Q263 HydrophobicContact CD1-CG 4.43Å; F253-Q263 HydrophobicContact CE1-CB 3.94Å; L259-Q263 WeakPolarHBondContact O-CG 3.48Å; L259-Q263 PolarHBondContact O-N 2.95Å; R260-Q263 WeakPolarHBondContact O-CB 3.38Å; R260-Q263 PolarHBondContact O-N 3.02Å; Q263-K265 PolarHBondContact O-N 3.23Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.5Å; Q263-T266 PolarHBondContact O-N 3.35Å; Q263-T266 PolarHBondContact O-OG1 3.01Å; Q263-L267 PolarHBondContact O-N 3.27Å
264M92.8Very high93.2Very high87 Ų8794.8 Ų94.843%0.42945%0.453SS..Hα-helixtrans-61.3-44.4175.7-74.9-59.8-59.800112.5F253 R260 K262 T266 L267 E268F253-M264 HydrophobicContact CD2-SD 4.21Å; F253-M264 HydrophobicContact CE1-SD 3.91Å; F253-M264 HydrophobicContact CE2-SD 3.5Å; F253-M264 VanDerWaalsContact CE2-SD 3.5Å; F253-M264 HydrophobicContact CZ-CG 4.45Å; F253-M264 HydrophobicContact CZ-SD 3.33Å; F253-M264 WeakPolarHBondContact CZ-SD 3.42Å; R260-M264 HydrophobicContact CG-CG 4.48Å; R260-M264 WeakPolarHBondContact O-CB 3.48Å; R260-M264 WeakPolarHBondContact O-CG 3.47Å; R260-M264 PolarHBondContact O-N 3.32Å; K262-M264 VanDerWaalsContact C-N 3.35Å; K262-M264 PolarHBondContact O-N 3.17Å; M264-T266 VanDerWaalsContact C-N 3.3Å; M264-T266 PolarHBondContact O-N 3.08Å; M264-L267 PolarHBondContact O-N 2.96Å; M264-E268 PolarHBondContact O-N 2.96Å
265K96.4Very high93.5Very high146 Ų14696.7 Ų96.764%0.63546%0.462SS*.Hα-helixtrans-60.8-40.6175.5-75.6172.5-177.8-177.50111.7N261 K262 Q263 E268 M269N261-K265 WeakPolarHBondContact O-CB 3.27Å; N261-K265 VanDerWaalsContact O-CG 3.23Å; N261-K265 WeakPolarHBondContact O-CG 3.39Å; N261-K265 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 3.43Å; Q263-K265 PolarHBondContact O-N 3.23Å; K265-E268 PolarHBondContact O-N 3.36Å; K265-M269 WeakPolarHBondContact O-CG 3.41Å; K265-M269 PolarHBondContact O-N 3.17Å
266T95.2Very high94.1Very high70 Ų7094 Ų9443%0.42946%0.458SS..Hα-helixtrans-64.8-39.8177.657.60000112.4K262 Q263 M264 M269 L270K262-T266 WeakPolarHBondContact O-CG2 3.34Å; K262-T266 PolarHBondContact O-N 2.85Å; K262-T266 PolarHBondContact O-OG1 3.28Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.5Å; Q263-T266 PolarHBondContact O-N 3.35Å; Q263-T266 PolarHBondContact O-OG1 3.01Å; M264-T266 VanDerWaalsContact C-N 3.3Å; M264-T266 PolarHBondContact O-N 3.08Å; T266-M269 PolarHBondContact O-N 3.1Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 3.41Å; T266-L270 VanDerWaalsContact O-N 3.12Å
267L94.9Very high94.5Very high60 Ų6094.1 Ų94.131%0.31446%0.455SS..Hα-helixtrans-66.8-40.8175-77175.1000112.3F253 Q263 M264 M269 L270 R271F253-L267 HydrophobicContact CE1-CD1 3.53Å; F253-L267 HydrophobicContact CZ-CD1 3.4Å; F253-L267 VanDerWaalsContact CZ-CD1 3.4Å; Q263-L267 PolarHBondContact O-N 3.27Å; M264-L267 PolarHBondContact O-N 2.96Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.37Å; L267-L270 HydrophobicContact CD2-CD1 4.46Å; L267-L270 PolarHBondContact O-N 3.49Å; L267-R271 PolarHBondContact O-N 3.39Å
268E96.2Very high94.9Very high79 Ų7996.6 Ų96.637%0.36946%0.461SS..Hα-helixtrans-64-40.3176.7-164.761-149.200111M264 K265 L270 R271 E272M264-E268 PolarHBondContact O-N 2.96Å; K265-E268 PolarHBondContact O-N 3.36Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.39Å; E268-R271 WeakPolarHBondContact O-CB 3.2Å; E268-R271 PolarHBondContact O-N 3.42Å; E268-R271 VanDerWaalsContact O-N 3.15Å; E268-R271 IonicContact OE1-NH1 3.69Å; E268-R271 IonicContact OE2-NH1 2.95Å; E268-E272 WeakPolarHBondContact O-CG 3.4Å; E268-E272 PolarHBondContact O-N 2.8Å
269M96.7Very high95.2Very high110 Ų11092.8 Ų92.854%0.54245%0.447SS..Hα-helixtrans-59-42.8173-74.9-17566.400112.7K265 T266 L267 R271 E272 Q273K265-M269 WeakPolarHBondContact O-CG 3.41Å; K265-M269 PolarHBondContact O-N 3.17Å; T266-M269 PolarHBondContact O-N 3.1Å; L267-M269 VanDerWaalsContact C-N 3.33Å; L267-M269 PolarHBondContact O-N 3.37Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 3.01Å; M269-E272 PolarHBondContact O-N 3.25Å; M269-Q273 VanDerWaalsContact O-CG 3.29Å; M269-Q273 WeakPolarHBondContact O-CG 3.5Å; M269-Q273 PolarHBondContact O-N 3.29Å
270L95.7Very high95.5Very high91 Ų9195 Ų9548%0.47645%0.454SS..Hα-helixtrans-64.6-37.8176.4-71.8172000111.9T266 L267 E268 T274T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 3.41Å; T266-L270 VanDerWaalsContact O-N 3.12Å; L267-L270 HydrophobicContact CD2-CD1 4.46Å; L267-L270 PolarHBondContact O-N 3.49Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.39Å; L270-T274 WeakPolarHBondContact O-CB 3.13Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.87Å
271R95.3Very high95.7Very high157 Ų157102.4 Ų102.459%0.59248%0.481SS*.Hα-helixtrans-63.7-49.9175.6-172.3-175-177.2-169.91.2110.8L267 E268 M269 Q273 T274 T275L267-R271 PolarHBondContact O-N 3.39Å; E268-R271 WeakPolarHBondContact O-CB 3.2Å; E268-R271 PolarHBondContact O-N 3.42Å; E268-R271 VanDerWaalsContact O-N 3.15Å; E268-R271 IonicContact OE1-NH1 3.69Å; E268-R271 IonicContact OE2-NH1 2.95Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 3.01Å; R271-Q273 VanDerWaalsContact C-N 3.34Å; R271-Q273 PolarHBondContact O-N 3.38Å; R271-T274 WeakPolarHBondContact O-CB 3.36Å; R271-T274 PolarHBondContact O-N 2.86Å; R271-T274 VanDerWaalsContact O-N 3.11Å; R271-T275 WeakPolarHBondContact O-CG2 3.42Å; R271-T275 PolarHBondContact O-N 3.35Å; R271-T275 PolarHBondContact O-OG1 2.82Å
272E97.4Very high95.9Very high106 Ų106103.6 Ų103.650%0.49549%0.485SS..Hα-helixtrans-57.2-45.5176.9-75.2179.3177.100111.6E268 M269 T274 T275 D276E268-E272 WeakPolarHBondContact O-CG 3.4Å; E268-E272 PolarHBondContact O-N 2.8Å; M269-E272 PolarHBondContact O-N 3.25Å; E272-T274 VanDerWaalsContact C-N 3.3Å; E272-T274 PolarHBondContact O-N 2.92Å; E272-T275 VanDerWaalsContact CA-OG1 3.27Å; E272-T275 WeakPolarHBondContact CA-OG1 3.23Å; E272-T275 PolarHBondContact O-N 3.47Å; E272-T275 PolarHBondContact O-OG1 2.84Å; E272-D276 VanDerWaalsContact O-CB 3.28Å; E272-D276 WeakPolarHBondContact O-CB 3.49Å; E272-D276 VanDerWaalsContact O-CG 3.28Å; E272-D276 PolarHBondContact O-N 3.34Å
273Q96.7Very high96Very high102 Ų102101.5 Ų101.548%0.47748%0.479SS..Hα-helixtrans-58.7-42.6175.3-74.2177.32.200112.2M269 R271 Q277M269-Q273 VanDerWaalsContact O-CG 3.29Å; M269-Q273 WeakPolarHBondContact O-CG 3.5Å; M269-Q273 PolarHBondContact O-N 3.29Å; R271-Q273 VanDerWaalsContact C-N 3.34Å; R271-Q273 PolarHBondContact O-N 3.38Å; Q273-Q277 WeakPolarHBondContact O-CB 2.88Å; Q273-Q277 VanDerWaalsContact O-CG 3.27Å; Q273-Q277 WeakPolarHBondContact O-CG 3.31Å; Q273-Q277 PolarHBondContact O-N 3Å
274T96.1Very high96.1Very high93 Ų93103.4 Ų103.457%0.57149%0.49SS*.Hα-helixtrans-69-41.6179.7-56.40000111.4L270 R271 E272 Q277 R278L270-T274 WeakPolarHBondContact O-CB 3.13Å; L270-T274 PolarHBondContact O-N 3.3Å; L270-T274 PolarHBondContact O-OG1 2.87Å; R271-T274 WeakPolarHBondContact O-CB 3.36Å; R271-T274 PolarHBondContact O-N 2.86Å; R271-T274 VanDerWaalsContact O-N 3.11Å; E272-T274 VanDerWaalsContact C-N 3.3Å; E272-T274 PolarHBondContact O-N 2.92Å; T274-Q277 PolarHBondContact O-N 3.48Å; T274-R278 WeakPolarHBondContact O-CB 3.44Å; T274-R278 PolarHBondContact O-N 2.86Å
275T96.9Very high96.3Very high64 Ų64107 Ų10739%0.39350%0.503SS..Hα-helixtrans-65.5-41.8176.250.50000111.1R271 E272 Q277 R278 T279R271-T275 WeakPolarHBondContact O-CG2 3.42Å; R271-T275 PolarHBondContact O-N 3.35Å; R271-T275 PolarHBondContact O-OG1 2.82Å; E272-T275 VanDerWaalsContact CA-OG1 3.27Å; E272-T275 WeakPolarHBondContact CA-OG1 3.23Å; E272-T275 PolarHBondContact O-N 3.47Å; E272-T275 PolarHBondContact O-OG1 2.84Å; T275-Q277 PolarHBondContact O-N 3.14Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.14Å; T275-R278 VanDerWaalsContact O-N 3.11Å; T275-T279 WeakPolarHBondContact O-CG2 3.36Å; T275-T279 PolarHBondContact O-N 3.43Å; T275-T279 PolarHBondContact O-OG1 2.96Å
276D97Very high96.3Very high82 Ų82105.1 Ų105.144%0.43950%0.497SS..Hα-helixtrans-63.4-40.5176.7-80.5-0.8000112.1E272 R278 T279 K280E272-D276 VanDerWaalsContact O-CB 3.28Å; E272-D276 WeakPolarHBondContact O-CB 3.49Å; E272-D276 VanDerWaalsContact O-CG 3.28Å; E272-D276 PolarHBondContact O-N 3.34Å; D276-R278 VanDerWaalsContact C-N 3.3Å; D276-R278 PolarHBondContact O-N 2.88Å; D276-T279 WeakPolarHBondContact CA-OG1 3.39Å; D276-T279 PolarHBondContact O-OG1 3.34Å; D276-K280 VanDerWaalsContact O-CB 3.26Å; D276-K280 WeakPolarHBondContact O-CB 3.39Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.36Å
277Q96.4Very high96.4Very high106 Ų106108.7 Ų108.750%0.49551%0.506SS..Hα-helixtrans-63.9-39.1173.6-74.5-178.728.700111.6Q273 T274 T275 R281Q273-Q277 WeakPolarHBondContact O-CB 2.88Å; Q273-Q277 VanDerWaalsContact O-CG 3.27Å; Q273-Q277 WeakPolarHBondContact O-CG 3.31Å; Q273-Q277 PolarHBondContact O-N 3Å; T274-Q277 PolarHBondContact O-N 3.48Å; T275-Q277 PolarHBondContact O-N 3.14Å; Q277-R281 WeakPolarHBondContact O-CB 3.3Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.5Å; Q277-R281 PolarHBondContact O-N 3.15Å
278R95.6Very high96.5Very high189 Ų189114.2 Ų114.271%0.71352%0.523SS*.Hα-helixtrans-66.1-47.5177.7-173176.1177.5173.7-1111.7T274 T275 D276 R281 E282T274-R278 WeakPolarHBondContact O-CB 3.44Å; T274-R278 PolarHBondContact O-N 2.86Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.14Å; T275-R278 VanDerWaalsContact O-N 3.11Å; D276-R278 VanDerWaalsContact C-N 3.3Å; D276-R278 PolarHBondContact O-N 2.88Å; R278-R281 PolarHBondContact O-N 3.41Å; R278-E282 WeakPolarHBondContact O-CB 3.46Å; R278-E282 PolarHBondContact O-N 2.66Å
279T96.6Very high96.5Very high61 Ų61117.4 Ų117.437%0.37454%0.536SS..Hα-helixtrans-65.1-38.8177.458.60000111.3T275 D276 R281 E282 N283T275-T279 WeakPolarHBondContact O-CG2 3.36Å; T275-T279 PolarHBondContact O-N 3.43Å; T275-T279 PolarHBondContact O-OG1 2.96Å; D276-T279 WeakPolarHBondContact CA-OG1 3.39Å; D276-T279 PolarHBondContact O-OG1 3.34Å; T279-R281 PolarHBondContact O-N 3.1Å; T279-E282 PolarHBondContact O-N 2.7Å; T279-N283 VanDerWaalsContact O-CB 3.31Å; T279-N283 WeakPolarHBondContact O-CB 3.43Å; T279-N283 PolarHBondContact O-N 3.35Å; T279-N283 PolarHBondContact O-ND2 2.87Å
280K96.9Very high96.5Very high128 Ų128114.8 Ų114.856%0.55753%0.531SS*.Hα-helixtrans-59.4-46.1172.5-76168.5-174.8170.50111.8D276 E282 N283 I284D276-K280 VanDerWaalsContact O-CB 3.26Å; D276-K280 WeakPolarHBondContact O-CB 3.39Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 WeakPolarHBondContact O-CG 3.42Å; D276-K280 PolarHBondContact O-N 3.36Å; K280-E282 VanDerWaalsContact C-N 3.35Å; K280-N283 PolarHBondContact O-N 3.21Å; K280-I284 WeakPolarHBondContact O-CD1 3.47Å; K280-I284 VanDerWaalsContact O-CG1 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.41Å; K280-I284 PolarHBondContact O-N 2.87Å
281R96.3Very high96.5Very high177 Ų177116.1 Ų116.167%0.66854%0.538SS*.Hα-helixtrans-63.3-41.5176.6-74175.1-176.7-178.83.9111.8Q277 R278 T279 I284 K285Q277-R281 WeakPolarHBondContact O-CB 3.3Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.5Å; Q277-R281 PolarHBondContact O-N 3.15Å; R278-R281 PolarHBondContact O-N 3.41Å; T279-R281 PolarHBondContact O-N 3.1Å; R281-I284 PolarHBondContact O-N 3.15Å; R281-K285 WeakPolarHBondContact O-CB 3.5Å; R281-K285 PolarHBondContact O-N 2.67Å
282E96.6Very high96.4Very high99 Ų99114 Ų11446%0.46354%0.538SS..Hα-helixtrans-62.8-49.8176.1-174.8166.8-156.700111.4R278 T279 K280 I284 K285 E286R278-E282 WeakPolarHBondContact O-CB 3.46Å; R278-E282 PolarHBondContact O-N 2.66Å; T279-E282 PolarHBondContact O-N 2.7Å; K280-E282 VanDerWaalsContact C-N 3.35Å; E282-I284 VanDerWaalsContact C-N 3.3Å; E282-I284 PolarHBondContact O-N 3.33Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CA 3.48Å; E282-K285 WeakPolarHBondContact O-CB 3.47Å; E282-K285 PolarHBondContact O-N 3.12Å; E282-E286 WeakPolarHBondContact O-CG 3.28Å; E282-E286 PolarHBondContact O-N 2.91Å
283N96.4Very high96.2Very high80 Ų80114.6 Ų114.643%0.42854%0.541SS..Hα-helixtrans-58.8-39.1176.3-70.5-16.4000112.3T279 K280 E286 K287T279-N283 VanDerWaalsContact O-CB 3.31Å; T279-N283 WeakPolarHBondContact O-CB 3.43Å; T279-N283 PolarHBondContact O-N 3.35Å; T279-N283 PolarHBondContact O-ND2 2.87Å; K280-N283 PolarHBondContact O-N 3.21Å; N283-E286 PolarHBondContact O-N 3.37Å; N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 WeakPolarHBondContact O-CG 3.35Å; N283-K287 PolarHBondContact O-N 3.23Å
284I96.1Very high96.2Very high85 Ų85112.2 Ų112.244%0.43654%0.538SS..Hα-helixtrans-65.3-42.6174.4-68.7163.3000110.5K280 R281 E282 K287 R288K280-I284 WeakPolarHBondContact O-CD1 3.47Å; K280-I284 VanDerWaalsContact O-CG1 3.22Å; K280-I284 WeakPolarHBondContact O-CG1 3.41Å; K280-I284 PolarHBondContact O-N 2.87Å; R281-I284 PolarHBondContact O-N 3.15Å; E282-I284 VanDerWaalsContact C-N 3.3Å; E282-I284 PolarHBondContact O-N 3.33Å; I284-K287 PolarHBondContact O-N 3.22Å; I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.21Å
285K96.8Very high96.1Very high161 Ų161116.4 Ų116.470%0.754%0.544SS*.Hα-helixtrans-63.6-42.7177.2-174-177.7178.2-175.90111.3R281 E282 R288 K289R281-K285 WeakPolarHBondContact O-CB 3.5Å; R281-K285 PolarHBondContact O-N 2.67Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CA 3.48Å; E282-K285 WeakPolarHBondContact O-CB 3.47Å; E282-K285 PolarHBondContact O-N 3.12Å; K285-R288 PolarHBondContact O-N 3.06Å; K285-K289 WeakPolarHBondContact O-CB 3.48Å; K285-K289 PolarHBondContact O-N 2.93Å
286E96.9Very high96Very high107 Ų107117.9 Ų117.950%0.555%0.549SS..Hα-helixtrans-64.2-44.9175.8-72.3-175168.800111.9E282 N283 R288 K289 A290E282-E286 WeakPolarHBondContact O-CG 3.28Å; E282-E286 PolarHBondContact O-N 2.91Å; N283-E286 PolarHBondContact O-N 3.37Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.4Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 2.89Å; E286-K289 VanDerWaalsContact O-N 3.16Å; E286-A290 WeakPolarHBondContact O-CB 3.36Å; E286-A290 PolarHBondContact O-N 2.67Å
287K97.4Very high95.8Very high145 Ų145115.9 Ų115.963%0.6354%0.544SS*.Hα-helixtrans-57.5-45.7173.7-75173.8-177.6-175.60111.6N283 I284 K289 A290 I291N283-K287 WeakPolarHBondContact O-CB 3.34Å; N283-K287 WeakPolarHBondContact O-CG 3.35Å; N283-K287 PolarHBondContact O-N 3.23Å; I284-K287 PolarHBondContact O-N 3.22Å; K287-K289 PolarHBondContact O-N 2.9Å; K287-A290 PolarHBondContact O-N 3.06Å; K287-I291 WeakPolarHBondContact O-CD1 3.36Å; K287-I291 VanDerWaalsContact O-CG1 3.25Å; K287-I291 WeakPolarHBondContact O-CG1 3.47Å; K287-I291 PolarHBondContact O-N 2.88Å
288R95.8Very high95.6Very high176 Ų176118.3 Ų118.366%0.66455%0.552SS**Hα-helixtrans-61.9-42.2175.8-72.2174.8-179.4-176.90.7111.9I284 K285 E286 I291 L292I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.21Å; K285-R288 PolarHBondContact O-N 3.06Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.4Å; R288-I291 PolarHBondContact O-N 2.53Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.06Å; R288-L292 VanDerWaalsContact O-N 3.13Å
289K96.9Very high95.2Very high146 Ų146114.1 Ų114.164%0.63554%0.544SS*.Hα-helixtrans-63.3-46.2176.8-173.6-175.5175-169.30111.4K285 E286 K287 I291 L292 E293K285-K289 WeakPolarHBondContact O-CB 3.48Å; K285-K289 PolarHBondContact O-N 2.93Å; E286-K289 WeakPolarHBondContact O-CB 3.42Å; E286-K289 PolarHBondContact O-N 2.89Å; E286-K289 VanDerWaalsContact O-N 3.16Å; K287-K289 PolarHBondContact O-N 2.9Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 2.96Å; K289-L292 PolarHBondContact O-N 3.26Å; K289-E293 WeakPolarHBondContact O-CB 3.39Å; K289-E293 PolarHBondContact O-N 2.96Å
290A96.5Very high94.9Very high55 Ų55119.7 Ų119.746%0.45556%0.558SS.*Hα-helixtrans-62.1-39.6178.500000112.1E286 K287 E293 A294E286-A290 WeakPolarHBondContact O-CB 3.36Å; E286-A290 PolarHBondContact O-N 2.67Å; K287-A290 PolarHBondContact O-N 3.06Å; A290-E293 PolarHBondContact O-N 3.05Å; A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 2.95Å
291I95.7Very high94.5Very high120 Ų120119.4 Ų119.462%0.61556%0.558SS**Hα-helixtrans-63.2-45.9175.4-68.8163.9000111.1K287 R288 K289 A294 R295K287-I291 WeakPolarHBondContact O-CD1 3.36Å; K287-I291 VanDerWaalsContact O-CG1 3.25Å; K287-I291 WeakPolarHBondContact O-CG1 3.47Å; K287-I291 PolarHBondContact O-N 2.88Å; R288-I291 PolarHBondContact O-N 2.53Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 2.96Å; I291-A294 PolarHBondContact O-N 3.44Å; I291-R295 PolarHBondContact O-N 3.11Å
292L92.9Very high94Very high111 Ų111118.4 Ų118.458%0.58156%0.559SS**Hα-helixtrans-63.4-42.7176.7-73.4176.1000111.7R288 K289 R295 L296R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.06Å; R288-L292 VanDerWaalsContact O-N 3.13Å; K289-L292 PolarHBondContact O-N 3.26Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.39Å; L292-L296 PolarHBondContact O-N 2.81Å
293E94.7Very high93.6Very high120 Ų120121.6 Ų121.656%0.56157%0.572SS**Hα-helixtrans-63.2-44177-175.8169.6-171.300111.8K289 A290 R295 L296 A297K289-E293 WeakPolarHBondContact O-CB 3.39Å; K289-E293 PolarHBondContact O-N 2.96Å; A290-E293 PolarHBondContact O-N 3.05Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.97Å; E293-L296 PolarHBondContact O-N 3.14Å; E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3Å
294A95.4Very high92.7Very high52 Ų52123.8 Ų123.843%0.4358%0.58SS.*Hα-helixtrans-60.5-38.8174.300000111.9A290 I291 A297 K298A290-A294 VanDerWaalsContact O-CB 3.31Å; A290-A294 WeakPolarHBondContact O-CB 3.23Å; A290-A294 PolarHBondContact O-N 2.95Å; I291-A294 PolarHBondContact O-N 3.44Å; A294-A297 PolarHBondContact O-N 2.94Å; A294-K298 WeakPolarHBondContact O-CG 3.44Å; A294-K298 PolarHBondContact O-N 3.44Å
295R94.1Very high91.7Very high180 Ų180126.7 Ų126.768%0.67959%0.59SS**Hα-helixtrans-64.7-43.3174.6-171.9176.9-178.5160.50.9111.8I291 L292 E293 K298 L299I291-R295 PolarHBondContact O-N 3.11Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.3Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 2.97Å; R295-K298 PolarHBondContact O-N 3.15Å; R295-L299 PolarHBondContact O-N 3.37Å; R295-L299 VanDerWaalsContact O-N 3.12Å
296L94.6Very high90.5Very high96 Ų96126.9 Ų126.950%0.50359%0.591SS.*Hα-helixtrans-65.4-39.3175.6-70.5174.4000111.9L292 E293 L299 R300L292-L296 WeakPolarHBondContact O-CG 3.39Å; L292-L296 PolarHBondContact O-N 2.81Å; E293-L296 PolarHBondContact O-N 3.14Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.99Å; L296-R300 WeakPolarHBondContact O-CG 3.43Å; L296-R300 PolarHBondContact O-N 3.48Å
297A92.3Very high88.7Confident40 Ų40126 Ų12633%0.33160%0.596SS.*Hα-helixtrans-63.2-44.5176.100000111.7E293 A294 L299 R300 Q301E293-A297 WeakPolarHBondContact O-CB 3.46Å; E293-A297 PolarHBondContact O-N 3Å; A294-A297 PolarHBondContact O-N 2.94Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.74Å; A297-R300 PolarHBondContact O-N 3.29Å; A297-Q301 WeakPolarHBondContact O-CG 3.32Å; A297-Q301 PolarHBondContact O-N 2.86Å
298K92.8Very high87Confident156 Ų156126.9 Ų126.968%0.67860%0.6SS**Hα-helixtrans-59.1-41.1173.6-74180-179.4-177.40112.1A294 R295 Q301 K302A294-K298 WeakPolarHBondContact O-CG 3.44Å; A294-K298 PolarHBondContact O-N 3.44Å; R295-K298 PolarHBondContact O-N 3.15Å; K298-Q301 PolarHBondContact O-N 3.41Å; K298-K302 PolarHBondContact O-N 3.49Å
299L87.1Confident84.8Confident102 Ų102126.2 Ų126.253%0.53460%0.604SS.*Hα-helixtrans-63.9-44.1174.3-85.9158.6000112.4R295 L296 A297 K302 K303R295-L299 PolarHBondContact O-N 3.37Å; R295-L299 VanDerWaalsContact O-N 3.12Å; L296-L299 WeakPolarHBondContact O-CB 3.48Å; L296-L299 PolarHBondContact O-N 2.99Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.74Å; L299-K302 PolarHBondContact O-N 3.44Å; L299-K303 PolarHBondContact O-N 3.25Å
300R90.6Very high82.5Confident177 Ų177122.8 Ų122.867%0.66861%0.611SS**Hα-helixtrans-60.7-44.4174.9-73174.9-179.7166.40.2111.2L296 A297 K303 M304L296-R300 WeakPolarHBondContact O-CG 3.43Å; L296-R300 PolarHBondContact O-N 3.48Å; A297-R300 PolarHBondContact O-N 3.29Å; R300-K303 PolarHBondContact O-N 2.96Å; R300-M304 WeakPolarHBondContact O-CG 3.22Å; R300-M304 PolarHBondContact O-N 3.21Å
301Q88.5Confident80.2Confident122 Ų122123.1 Ų123.157%0.5762%0.62SS**Hα-helixtrans-61.8-43.7175.4-73.6-178.8-9.700112.1A297 K298 K303 M304 K305A297-Q301 WeakPolarHBondContact O-CG 3.32Å; A297-Q301 PolarHBondContact O-N 2.86Å; K298-Q301 PolarHBondContact O-N 3.41Å; Q301-K303 VanDerWaalsContact C-N 3.32Å; Q301-K303 PolarHBondContact O-N 3.3Å; Q301-M304 PolarHBondContact O-N 2.89Å; Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 WeakPolarHBondContact O-CG 3.21Å; Q301-K305 PolarHBondContact O-N 2.86Å
302K86.9Confident77.5Confident156 Ų156123 Ų12368%0.67862%0.624SS**Hα-helixtrans-61-41.2174.3-174.8174.3178.9174.80111.7K298 L299 K306K298-K302 PolarHBondContact O-N 3.49Å; L299-K302 PolarHBondContact O-N 3.44Å; K302-K306 WeakPolarHBondContact O-CB 3.37Å; K302-K306 PolarHBondContact O-N 3.02Å
303K87.4Confident75.2Confident167 Ų167126.8 Ų126.873%0.72664%0.639SS**Hα-helixtrans-63.5-44.7175.7-165.9-170.5178.4-174.30111.5L299 R300 Q301 K306 S307L299-K303 PolarHBondContact O-N 3.25Å; R300-K303 PolarHBondContact O-N 2.96Å; Q301-K303 VanDerWaalsContact C-N 3.32Å; Q301-K303 PolarHBondContact O-N 3.3Å; K303-K306 PolarHBondContact O-N 3.45Å; K303-S307 PolarHBondContact O-N 2.83Å; K303-S307 PolarHBondContact O-OG 2.97Å
304M77.7Confident72.7Confident125 Ų125129.4 Ų129.462%0.61665%0.652SS**Hα-helixtrans-68.2-37.6179.3-69.8-16991.400113.1R300 Q301 S307 K308R300-M304 WeakPolarHBondContact O-CG 3.22Å; R300-M304 PolarHBondContact O-N 3.21Å; Q301-M304 PolarHBondContact O-N 2.89Å; M304-S307 WeakPolarHBondContact CA-OG 3.46Å; M304-S307 PolarHBondContact O-N 3.36Å; M304-S307 PolarHBondContact O-OG 3.01Å; M304-K308 WeakPolarHBondContact O-CB 3.46Å; M304-K308 PolarHBondContact O-N 2.86Å
305K75.3Confident70.4Confident146 Ų146133.9 Ų133.964%0.63566%0.664SS**Hα-helixtrans-63.6-47.6172.7-73.7-175.4177.6-169.10110.9Q301 S307 K308 E309Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 WeakPolarHBondContact O-CG 3.21Å; Q301-K305 PolarHBondContact O-N 2.86Å; K305-S307 VanDerWaalsContact C-N 3.28Å; K305-S307 PolarHBondContact O-N 3.29Å; K305-K308 PolarHBondContact O-N 2.86Å; K305-E309 WeakPolarHBondContact O-CB 3.32Å; K305-E309 PolarHBondContact O-N 2.9Å
306K71.1Confident67.6Low166 Ų166133 Ų13372%0.72267%0.673SS**Hα-helixtrans-60.9-33176.3-169172.4-178.9177.70113.4K302 K303K302-K306 WeakPolarHBondContact O-CB 3.37Å; K302-K306 PolarHBondContact O-N 3.02Å; K303-K306 PolarHBondContact O-N 3.45Å
307S59.7Low65.2Low87 Ų87138.5 Ų138.561%0.60869%0.686SS**Hα-helixtrans-78.8-24.4174.457.30000114.1K303 M304 K305K303-S307 PolarHBondContact O-N 2.83Å; K303-S307 PolarHBondContact O-OG 2.97Å; M304-S307 WeakPolarHBondContact CA-OG 3.46Å; M304-S307 PolarHBondContact O-N 3.36Å; M304-S307 PolarHBondContact O-OG 3.01Å; K305-S307 VanDerWaalsContact C-N 3.28Å; K305-S307 PolarHBondContact O-N 3.29Å
308K60.8Low62.7Low165 Ų165144.6 Ų144.672%0.71771%0.713SS**Hα-helixtrans-81.7-32.8174.7-85.6-173.6171.2-1700112.4M304 K305 G310M304-K308 WeakPolarHBondContact O-CB 3.46Å; M304-K308 PolarHBondContact O-N 2.86Å; K305-K308 PolarHBondContact O-N 2.86Å; K308-G310 VanDerWaalsContact C-N 3.26Å; K308-G310 PolarHBondContact O-N 3.26Å
309E50.9Low60.1Low161 Ų161140.6 Ų140.675%0.75272%0.717SS**G310 helixtrans-75.9-12.5178.2-163.3167.4-163.100113K305 G311K305-E309 WeakPolarHBondContact O-CB 3.32Å; K305-E309 PolarHBondContact O-N 2.9Å; E309-G311 VanDerWaalsContact C-N 3.27Å; E309-G311 PolarHBondContact O-N 3.4Å
310G48.3Very low57.9Low74 Ų74142.8 Ų142.876%0.76373%0.729SS**G310 helixtrans-84.417.1173.300000115.2K308K308-G310 VanDerWaalsContact C-N 3.26Å; K308-G310 PolarHBondContact O-N 3.26Å
311G48.5Very low55.3Low63 Ų63141 Ų14165%0.64974%0.738SS**G310 helixtrans-147.619.1-173.900000115.8E309E309-G311 VanDerWaalsContact C-N 3.27Å; E309-G311 PolarHBondContact O-N 3.4Å
312T38Very low52.9Low116 Ų116142.6 Ų142.671%0.71275%0.748SS**  trans-153.398.4171.8-270000108.7E314T312-E314 PolarHBondContact O-N 3.29Å
313E45.3Very low50.1Low192 Ų192138.1 Ų138.190%0.89775%0.747SS**  trans-65.8122.1151.3-72.1-167.5162.700106.9
314E42.6Very low48.2Very low174 Ų174136.2 Ų136.281%0.81375%0.752SS**  trans-176.8109.6134.8-89.6-107.4148.400107.9T312T312-E314 PolarHBondContact O-N 3.29Å
315E45.5Very low46.3Very low147 Ų147137.2 Ų137.269%0.68776%0.759SS**  trans26.7114.9140.2-158.5166.3-15800118.4
316N35.6Very low44.7Very low162 Ų162136.4 Ų136.487%0.86677%0.768SS**  -157.2128.4117.1-103.7-67.4000110.8
317R44.9Very low43.1Very low210 Ų210135.9 Ų135.979%0.79277%0.773SS**  trans-68.5151.9169.7-72.8173.1159.6-150.3-3.2110.3
318D38.9Very low42.1Very low168 Ų168140.5 Ų140.590%0.89878%0.784SS**  trans145.7129.8150.4-74.9-18000106.5
319G39Very low41.4Very low73 Ų73138 Ų13875%0.75379%0.786SS**  cis171.4139.89.500000104
320D40.7Very low40.8Very low148 Ų148139.1 Ų139.179%0.79179%0.79SS**  trans-62.1127.7-171.8-151.314.8000112.9
321V36.4Very low40.7Very low140 Ų140140.3 Ų140.385%0.84879%0.785SS**  trans-149.3112.2153179.40000110.6
322I37.3Very low40.2Very low154 Ų154144 Ų14479%0.7979%0.794SS**  trans-78.7134.2165.1-68.1157.3000109.4
323G29.3Very low40.3Very low63 Ų63144 Ų14465%0.64980%0.796SS**  trans140.1154.1160.800000115.1
324P46Very low40Very low127 Ų127139.3 Ų139.383%0.82579%0.79SS**  -118.7164.1-90.730.9-20000115.1
325L38.5Very low39.8Very low145 Ų145137 Ų13776%0.75979%0.791SS**  trans-0.5121.3156-135.393.8000117.2L327L325-L327 PolarHBondContact O-N 2.95Å
326P41.6Very low39.4Very low130 Ų130141.4 Ų141.484%0.84480%0.801SS**  trans-76.4107.5158.2-13.429.7000109.4
327L37.6Very low39.8Very low154 Ų154139.9 Ų139.981%0.80680%0.8SS**PPolyproline II helixtrans-60.7131.1166.7-75.3151.8000110.1L325L325-L327 PolarHBondContact O-N 2.95Å
328E38.8Very low39.3Very low184 Ų184134.6 Ų134.686%0.8680%0.801SS**PPolyproline II helixtrans-71160.1156.7-101.9-161.9168.900110.4
329P46.3Very low39.2Very low114 Ų114131.2 Ų131.274%0.7480%0.796SS**PPolyproline II helixtrans-92.5151.1-138.735.1-37.1000115.7
330E37.2Very low39.4Very low183 Ų183137.3 Ų137.386%0.85581%0.805SS**PPolyproline II helixtrans-84.1150165.1-99.7-87.8141.100111.6
331P46.4Very low39.3Very low99 Ų99135.2 Ų135.264%0.64380%0.802SS**PPolyproline II helixtrans-100.7136.9-162.835.6-24000113.1
332V37.5Very low39.8Very low140 Ų140134.2 Ų134.285%0.84880%0.802SS**  trans-146160.2166-128.20000110.4
333P41.4Very low39.9Very low116 Ų116135.4 Ų135.475%0.75380%0.801SS**PPolyproline II helix-99.5162-112.630.3-11.9000113.7
334A38.5Very low40.6Very low94 Ų94138 Ų13878%0.77780%0.804SS**PPolyproline II helixtrans-64.9145.3178.300000114.1
335P38.3Very low40.3Very low126 Ų126139.2 Ų139.282%0.81880%0.799SS**PPolyproline II helixtrans-84.2145.7149.532.4-28.1000111.1
336R36.7Very low40.4Very low240 Ų240137.8 Ų137.891%0.90680%0.796SS**PPolyproline II helixtrans-72.8165.5-177.9-73.5-172.4-154.9-168.86.3113.2
337P44.6Very low40.4Very low130 Ų130138.6 Ų138.684%0.84479%0.791SS**PPolyproline II helixtrans-94.4151.2-150.837-32.3000113.4
338A34.1Very low40.8Very low98 Ų98136.8 Ų136.881%0.8179%0.786SS**  trans-126.8136.4163.300000110.1
339A36.3Very low41Very low97 Ų97136.3 Ų136.380%0.80278%0.784SS**  trans70.4104.6166.800000117.9S341A339-S341 PolarHBondContact O-N 3.49Å; A339-S341 VanDerWaalsContact O-N 3.11Å
340Q43.9Very low41.2Very low201 Ų201138.8 Ų138.894%0.93979%0.786SS**  trans-61101.5163.5-64.1169.3-21.500109.9
341S39.5Very low41.8Very low105 Ų105140 Ų14073%0.73478%0.783SS**  trans-94118.1154.761.50000107.6A339 K343A339-S341 PolarHBondContact O-N 3.49Å; A339-S341 VanDerWaalsContact O-N 3.11Å; S341-K343 PolarHBondContact O-N 3.01Å
342S46Very low42Very low119 Ų119145 Ų14583%0.83279%0.794SS**  trans-50.1101.4176.955.10000111.4V344S342-V344 PolarHBondContact O-N 2.91Å
343K39.9Very low42.5Very low178 Ų178145 Ų14577%0.77479%0.789SS**  trans-8996.2174.8-165.2170.6-173.7-179.70107.6S341 E345S341-K343 PolarHBondContact O-N 3.01Å; K343-E345 PolarHBondContact O-N 3.31Å; K343-E345 VanDerWaalsContact O-N 3.14Å
344V43.7Very low42.8Very low119 Ų119143 Ų14372%0.72178%0.775SS**  trans-71.3102.3165.3175.70000106.4S342 V346S342-V344 PolarHBondContact O-N 2.91Å; V344-V346 VanDerWaalsContact C-N 3.29Å; V344-V346 HydrophobicContact CG1-CG2 4.1Å; V344-V346 PolarHBondContact O-N 2.94Å
345E38.7Very low43.8Very low152 Ų152146.7 Ų146.771%0.7177%0.774SS**  trans-68.392167.7-72.4-174.5161.700108.2K343 I347K343-E345 PolarHBondContact O-N 3.31Å; K343-E345 VanDerWaalsContact O-N 3.14Å; E345-I347 PolarHBondContact O-N 3.48Å
346V41.7Very low44.6Very low115 Ų115147.1 Ų147.170%0.69778%0.777SS**  trans-69.293.5162.1-178.90000106.1V344 V348V344-V346 VanDerWaalsContact C-N 3.29Å; V344-V346 HydrophobicContact CG1-CG2 4.1Å; V344-V346 PolarHBondContact O-N 2.94Å; V346-V348 VanDerWaalsContact C-N 3.3Å; V346-V348 PolarHBondContact O-N 2.87Å
347I40.6Very low45.7Very low146 Ų146139.6 Ų139.675%0.74977%0.774SS**  trans-57.2100.3164.3-65.6160.7000105.5E345 Q349E345-I347 PolarHBondContact O-N 3.48Å; I347-Q349 PolarHBondContact O-N 2.94Å
348V47.2Very low46.3Very low116 Ų116137.8 Ų137.870%0.70376%0.76SS**  trans-66.696.4168177.60000105.1V346 E350V346-V348 VanDerWaalsContact C-N 3.3Å; V346-V348 PolarHBondContact O-N 2.87Å; V348-E350 HydrophobicContact CG1-CG 4.43Å; V348-E350 PolarHBondContact O-N 3.36Å
349Q43.1Very low47.9Very low175 Ų175138.2 Ų138.282%0.81875%0.754SS**  trans-63.687.7165.8-171.3173.4-3.300106.5I347 R351I347-Q349 PolarHBondContact O-N 2.94Å; Q349-R351 PolarHBondContact O-N 2.94Å
350E50.6Low49.6Very low166 Ų166140.2 Ų140.278%0.77675%0.747SS**  trans-52.9112.4168.2-79-170.7149.200106.8V348 K352V348-E350 HydrophobicContact CG1-CG 4.43Å; V348-E350 PolarHBondContact O-N 3.36Å; E350-K352 PolarHBondContact O-N 2.83Å; E350-K352 VanDerWaalsContact O-N 3.09Å
351R48.7Very low51.1Low208 Ų208135.1 Ų135.179%0.78573%0.725SS**  trans-54.4120.9172.9-71.4-175.8170.9130.8-1.7107.1Q349 D353Q349-R351 PolarHBondContact O-N 2.94Å; R351-D353 PolarHBondContact O-N 3.5Å
352K50.5Low53Low204 Ų204136.6 Ų136.689%0.88772%0.715SS**THydrogen-bonded Turntrans-67.34.1-174.9-60.2-131.1177.3-174.30113.7E350E350-K352 PolarHBondContact O-N 2.83Å; E350-K352 VanDerWaalsContact O-N 3.09Å
353D48.2Very low54.6Low139 Ų139137.8 Ų137.874%0.74371%0.707SS**THydrogen-bonded Turntrans-95.4-1.4-168.2-52.5-33.8000113.8R351R351-D353 PolarHBondContact O-N 3.5Å
354T48.2Very low56.1Low74 Ų74137.2 Ų137.245%0.45470%0.7SS.*  trans-117.1104.6175.748.30000110.7H360T354-H360 HydrophobicContact CG2-CB 3.99Å
355K59.9Low57.3Low172 Ų172133 Ų13375%0.74867%0.674SS**  trans-57.2136.9165.4-64.8-179.4-178.5178.30108.7G357 V358K355-G357 PolarHBondContact O-N 3.21Å; K355-G357 VanDerWaalsContact O-N 3.09Å; K355-V358 PolarHBondContact O-N 2.7Å
356P53.7Low59Low136 Ų136133.3 Ų133.388%0.88367%0.668SS**THydrogen-bonded Turntrans-58.311917922.4-31.5000109.9
357G60.9Low60.2Low81 Ų81131.2 Ų131.284%0.83567%0.67SS**THydrogen-bonded Turntrans112.4-9.8176.800000116.2K355K355-G357 PolarHBondContact O-N 3.21Å; K355-G357 VanDerWaalsContact O-N 3.09Å
358V57.2Low61.7Low93 Ų93130.2 Ų130.256%0.56466%0.66SS**  trans-113.2114.9177.1-174.80000109.8K355 H360K355-V358 PolarHBondContact O-N 2.7Å; V358-H360 PolarHBondContact O-N 2.88Å
359P67Low62.2Low106 Ų106132.5 Ų132.569%0.68866%0.663SS**  trans-56.5138.1172.3-20.431.3000110.1I361P359-I361 PolarHBondContact O-N 3.47Å
360H73.3Confident62.4Low140 Ų140132.6 Ų132.665%0.64866%0.661SS**  trans-59113.1172.7174.177.1000109.7T354 V358T354-H360 HydrophobicContact CG2-CB 3.99Å; V358-H360 PolarHBondContact O-N 2.88Å
361I75.3Confident62.4Low93 Ų93129 Ų12948%0.47765%0.654SS.*  trans-88.8121.1174.3-60.5173000107P359 D365 R366P359-I361 PolarHBondContact O-N 3.47Å; I361-D365 VanDerWaalsContact CG2-C 3.48Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; I361-R366 HydrophobicContact CG2-CG 4.2Å
362R79.5Confident62.3Low137 Ų137129.2 Ų129.252%0.51766%0.661SS.*  trans-63.1154.8175.5-65.8178-176.3133.1-3.8109.8W364 D365 R366R362-W364 HydrophobicContact CB-CD2 4.45Å; R362-W364 HydrophobicContact CB-CG 4.48Å; R362-W364 VanDerWaalsContact CD-CZ2 3.42Å; R362-W364 PolarHBondContact O-N 3.44Å; R362-W364 VanDerWaalsContact O-N 3.13Å; R362-D365 HydrophobicContact CB-CB 4.33Å; R362-D365 CarbonylContact O-C 3.54Å; R362-D365 WeakPolarHBondContact O-CA 3.5Å; R362-D365 PolarHBondContact O-N 2.8Å; R362-R366 PolarHBondContact O-N 3.14Å
363E78Confident62.4Low144 Ų144122.6 Ų122.667%0.67365%0.651SS**G310 helixtrans-58.6-33.1-175.2-52.3-155.912400113.4R366E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 IonicContact OE1-CZ 2.63Å; E363-R366 IonicContact OE1-NH1 2.74Å; E363-R366 PolarHBondContact OE1-NH1 3.42Å; E363-R366 VanDerWaalsContact OE1-NH1 3.08Å; E363-R366 IonicContact OE1-NH2 4Å
364W72.7Confident62.2Low165 Ų165125.5 Ų125.563%0.62565%0.653SS**G310 helixtrans-85.6-6176.356.5-95.6000114.7R362R362-W364 HydrophobicContact CB-CD2 4.45Å; R362-W364 HydrophobicContact CB-CG 4.48Å; R362-W364 VanDerWaalsContact CD-CZ2 3.42Å; R362-W364 PolarHBondContact O-N 3.44Å; R362-W364 VanDerWaalsContact O-N 3.13Å
365D68.4Low62.5Low31 Ų31131.2 Ų131.217%0.16667%0.666CS.*G310 helixtrans-97.7-5.1170.8-72.9-41.8000111.9I361 R362 G367 K368I361-D365 VanDerWaalsContact CG2-C 3.48Å; I361-D365 HydrophobicContact CG2-CB 3.73Å; R362-D365 HydrophobicContact CB-CB 4.33Å; R362-D365 CarbonylContact O-C 3.54Å; R362-D365 WeakPolarHBondContact O-CA 3.5Å; R362-D365 PolarHBondContact O-N 2.8Å; D365-G367 PolarHBondContact O-N 3.13Å; D365-K368 PolarHBondContact O-N 2.75Å
366R75Confident62.4Low159 Ų159129 Ų12960%0.667%0.672SS**THydrogen-bonded Turntrans-62.8129.5174.3-70.8-179.1176.5141.31.9109.9I361 R362 E363 K368I361-R366 HydrophobicContact CG2-CG 4.2Å; R362-R366 PolarHBondContact O-N 3.14Å; E363-R366 WeakPolarHBondContact O-CB 3.46Å; E363-R366 IonicContact OE1-CZ 2.63Å; E363-R366 IonicContact OE1-NH1 2.74Å; E363-R366 PolarHBondContact OE1-NH1 3.42Å; E363-R366 VanDerWaalsContact OE1-NH1 3.08Å; E363-R366 IonicContact OE1-NH2 4Å; R366-K368 VanDerWaalsContact C-N 3.32Å
367G65.5Low62.8Low70 Ų70126.3 Ų126.372%0.72265%0.647SS**THydrogen-bonded Turntrans84.5-3-179.400000115.2D365 E369D365-G367 PolarHBondContact O-N 3.13Å; G367-E369 PolarHBondContact O-N 2.8Å
368K72.8Confident63.1Low125 Ų125131.7 Ų131.754%0.54364%0.642SS.*  trans-85.386.7165.7-62.7-170.7-174.1-177.60108.3D365 R366 F370D365-K368 PolarHBondContact O-N 2.75Å; R366-K368 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 2.96Å
369E56.8Low63.4Low164 Ų164132.8 Ų132.877%0.76664%0.641SS**  trans-60.3102.6171.3-56.9-59.1154.900108.1G367 S371G367-E369 PolarHBondContact O-N 2.8Å; E369-S371 PolarHBondContact O-N 3.22Å
370F48.8Very low63.3Low177 Ų177130.4 Ų130.478%0.77663%0.627SS**  trans-70.276.2172-95.8-96.2000108.2K368 F372K368-F370 PolarHBondContact O-N 2.96Å; F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.23Å
371S49.7Very low63.2Low92 Ų92127 Ų12764%0.64361%0.613SS**  trans-63.3102.2159.441.10000106.7E369 G373E369-S371 PolarHBondContact O-N 3.22Å; S371-G373 PolarHBondContact O-N 3.49Å
372F46.7Very low63Low212 Ų212125.5 Ų125.593%0.9361%0.606SS**THydrogen-bonded Turntrans-5495.9-178.1-161.1-94.3000110F370F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.23Å
373G52.9Low62.5Low64 Ų64124.6 Ų124.666%0.6660%0.602SS**THydrogen-bonded Turntrans103.411.215400000120S371S371-G373 PolarHBondContact O-N 3.49Å
374Y44.8Very low62.2Low200 Ų200121.7 Ų121.778%0.78460%0.603SS**  trans-137.1102167.7-87.7-93.7000111.1S376Y374-S376 PolarHBondContact O-N 3.17Å
375W53.7Low62.4Low195 Ų195119.8 Ų119.874%0.73960%0.601SS**  trans-64.2105.9156-120.7-41.1000105.9K377 L382W375-K377 PolarHBondContact O-N 2.99Å; W375-L382 HydrophobicContact CD2-CD1 4.31Å; W375-L382 HydrophobicContact CG-CD1 4.36Å; W375-L382 HydrophobicContact CZ2-CD1 4.33Å
376S57.2Low63Low126 Ų126122.7 Ų122.788%0.88161%0.61SS**SBendtrans-59.8-18.6-179.1-49.30000112.7Y374Y374-S376 PolarHBondContact O-N 3.17Å
377K61.8Low63.3Low78 Ų78120.9 Ų120.934%0.33961%0.612SS.*SBendtrans-104.2138.1173.3-99.4174.6175.4156.70111.2W375 D381 L382 E385W375-K377 PolarHBondContact O-N 2.99Å; K377-D381 HydrophobicContact CB-CB 4.32Å; K377-D381 HydrophobicContact CD-CB 4.25Å; K377-D381 HydrophobicContact CG-CB 3.97Å; K377-L382 HydrophobicContact CB-CD1 4.47Å; K377-L382 HydrophobicContact CB-CD2 4.15Å; K377-L382 HydrophobicContact CB-CG 3.97Å; K377-L382 HydrophobicContact CD-CD2 3.75Å; K377-L382 HydrophobicContact CD-CG 4.27Å; K377-E385 WeakPolarHBondContact CE-OE1 3.49Å; K377-E385 IonicContact NZ-OE1 3.16Å; K377-E385 PolarHBondContact NZ-OE1 3.01Å; K377-E385 IonicContact NZ-OE2 3.28Å; K377-E385 PolarHBondContact NZ-OE2 2.84Å
378R67.6Low63.9Low194 Ų194122.7 Ų122.773%0.73261%0.611SS**  trans-64.3147.1166.3-77.7-159.2-81.6-143-4.5109S380 D381 L382R378-S380 WeakPolarHBondContact CB-OG 3.38Å; R378-S380 PolarHBondContact O-N 2.85Å; R378-D381 PolarHBondContact N-OD2 2.89Å; R378-D381 WeakPolarHBondContact O-CB 3.26Å; R378-D381 PolarHBondContact O-N 3.15Å; R378-L382 PolarHBondContact O-N 3.13Å
379Q63.2Low64.2Low116 Ų116125.8 Ų125.854%0.54263%0.628SS.*Hα-helixtrans-54.4-26.2176-78.5-176.7-29.400113.2D381 R383Q379-D381 VanDerWaalsContact C-N 3.3Å; Q379-R383 WeakPolarHBondContact O-CG 3.36Å; Q379-R383 PolarHBondContact O-N 3.43Å; Q379-R383 VanDerWaalsContact O-N 3.12Å
380S66.3Low65.2Low57 Ų57126.7 Ų126.740%0.39963%0.629SS.*Hα-helixtrans-59.4-41.3171.248.40000112.5R378 R383 A384R378-S380 WeakPolarHBondContact CB-OG 3.38Å; R378-S380 PolarHBondContact O-N 2.85Å; S380-R383 PolarHBondContact O-N 3.46Å; S380-A384 PolarHBondContact O-N 3.34Å; S380-A384 VanDerWaalsContact O-N 3.1Å
381D71.1Confident66.8Low68 Ų68119.9 Ų119.936%0.36461%0.606SS.*Hα-helixtrans-76.3-38.4-172.4-47.6-19.8000109.4K377 R378 Q379 R383 A384 E385K377-D381 HydrophobicContact CB-CB 4.32Å; K377-D381 HydrophobicContact CD-CB 4.25Å; K377-D381 HydrophobicContact CG-CB 3.97Å; R378-D381 PolarHBondContact N-OD2 2.89Å; R378-D381 WeakPolarHBondContact O-CB 3.26Å; R378-D381 PolarHBondContact O-N 3.15Å; Q379-D381 VanDerWaalsContact C-N 3.3Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 PolarHBondContact O-N 3.39Å; D381-A384 PolarHBondContact O-N 3.37Å; D381-E385 WeakPolarHBondContact O-CG 3.41Å; D381-E385 PolarHBondContact O-N 2.93Å
382L70.2Confident68.2Low61 Ų61118.4 Ų118.432%0.31959%0.594SS.*Hα-helixtrans-66.1-33.1172.1-65.2170.7000112.9W375 K377 R378 A384W375-L382 HydrophobicContact CD2-CD1 4.31Å; W375-L382 HydrophobicContact CG-CD1 4.36Å; W375-L382 HydrophobicContact CZ2-CD1 4.33Å; K377-L382 HydrophobicContact CB-CD1 4.47Å; K377-L382 HydrophobicContact CB-CD2 4.15Å; K377-L382 HydrophobicContact CB-CG 3.97Å; K377-L382 HydrophobicContact CD-CD2 3.75Å; K377-L382 HydrophobicContact CD-CG 4.27Å; R378-L382 PolarHBondContact O-N 3.13Å; L382-A384 VanDerWaalsContact C-N 3.34Å
383R69.5Low69.8Low118 Ų118111.9 Ų111.945%0.44557%0.573SS.*Hα-helixtrans-72.6-28.8175.1-77.5-178.1-141.6125.73.9112.7Q379 S380 D381 R386Q379-R383 WeakPolarHBondContact O-CG 3.36Å; Q379-R383 PolarHBondContact O-N 3.43Å; Q379-R383 VanDerWaalsContact O-N 3.12Å; S380-R383 PolarHBondContact O-N 3.46Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 PolarHBondContact O-N 3.39Å; R383-R386 PolarHBondContact O-NH2 2.87Å
384A71.5Confident70.8Confident84 Ų84113.3 Ų113.369%0.69457%0.573SS**Hα-helixtrans-77.5-23.4178.100000112.7S380 D381 L382 R386S380-A384 PolarHBondContact O-N 3.34Å; S380-A384 VanDerWaalsContact O-N 3.1Å; D381-A384 PolarHBondContact O-N 3.37Å; L382-A384 VanDerWaalsContact C-N 3.34Å; A384-R386 VanDerWaalsContact C-N 3.33Å
385E77.1Confident72.3Confident125 Ų125109.7 Ų109.758%0.58457%0.567SS**SBendtrans-81.7-8.8175.6-71.7-174.5157.500114.3K377 D381K377-E385 WeakPolarHBondContact CE-OE1 3.49Å; K377-E385 IonicContact NZ-OE1 3.16Å; K377-E385 PolarHBondContact NZ-OE1 3.01Å; K377-E385 IonicContact NZ-OE2 3.28Å; K377-E385 PolarHBondContact NZ-OE2 2.84Å; D381-E385 WeakPolarHBondContact O-CG 3.41Å; D381-E385 PolarHBondContact O-N 2.93Å
386R80.9Confident73.2Confident91 Ų91109.2 Ų109.234%0.34357%0.567SS.*SBendtrans-82.4141.6178.7175.6-179.438.648.81.1110.2R383 A384R383-R386 PolarHBondContact O-NH2 2.87Å; A384-R386 VanDerWaalsContact C-N 3.33Å
387D80.8Confident73.8Confident122 Ų122107.4 Ų107.465%0.65254%0.543SS*.  trans-47.9132177.5-84.3-40000112.1E389 F390 A391D387-E389 PolarHBondContact O-N 3.43Å; D387-F390 CarbonylContact O-C 3.58Å; D387-F390 PolarHBondContact O-N 3.43Å; D387-A391 PolarHBondContact O-N 2.85Å; D387-A391 VanDerWaalsContact O-N 3.16Å
388P77.5Confident74Confident108 Ų108109.2 Ų109.270%0.70156%0.56SS**G310 helixtrans-66.2-27.5-176.726.6-34000112.3F390 A391P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.36Å; P388-A391 VanDerWaalsContact O-CB 3.31Å; P388-A391 WeakPolarHBondContact O-CB 3.5Å; P388-A391 PolarHBondContact O-N 2.92Å
389E79.3Confident73.6Confident190 Ų190103.6 Ų103.689%0.88856%0.563SS**G310 helixtrans-69.4-26.1176.9-65.9-175.5169.700113D387D387-E389 PolarHBondContact O-N 3.43Å
390F79.5Confident73.4Confident182 Ų182105.1 Ų105.180%0.79857%0.57SS**G310 helixtrans-102.47.8175-112-92.8000112.3D387 P388D387-F390 CarbonylContact O-C 3.58Å; D387-F390 PolarHBondContact O-N 3.43Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.36Å
391A80.8Confident72.6Confident35 Ų35111.8 Ų111.829%0.28959%0.592SS.*SBendtrans-78.7138.1174.200000110.9D387 P388D387-A391 PolarHBondContact O-N 2.85Å; D387-A391 VanDerWaalsContact O-N 3.16Å; P388-A391 VanDerWaalsContact O-CB 3.31Å; P388-A391 WeakPolarHBondContact O-CB 3.5Å; P388-A391 PolarHBondContact O-N 2.92Å
392P79.4Confident71.7Confident60 Ų60120 Ų12039%0.3962%0.618SS.*PPolyproline II helixtrans-55.3138.4163.724.4-32.6000109S394 F397P392-S394 PolarHBondContact O-N 3.47Å; P392-F397 HydrophobicContact CB-CE2 4.09Å; P392-F397 HydrophobicContact CG-CE2 3.68Å; P392-F397 HydrophobicContact CG-CZ 4.08Å
393P81.6Confident70.1Confident76 Ų76123.8 Ų123.849%0.49464%0.643SS.*PPolyproline II helixtrans-50.1140.9179.1-27.333.2000111.4D395 Y396P393-D395 PolarHBondContact O-N 3.27Å; P393-Y396 HydrophobicContact CB-CD2 4.07Å; P393-Y396 HydrophobicContact CB-CE2 4.34Å; P393-Y396 HydrophobicContact CG-CD2 4.23Å; P393-Y396 HydrophobicContact CG-CE2 4.11Å; P393-Y396 PolarHBondContact O-N 2.89Å; P393-Y396 VanDerWaalsContact O-N 3.12Å
394S72.3Confident68.5Low94 Ų94121.6 Ų121.666%0.65766%0.658SS**G310 helixtrans-55.1-26.2-177.745.60000113.3P392 Y396 F397P392-S394 PolarHBondContact O-N 3.47Å; S394-Y396 PolarHBondContact O-N 3.18Å; S394-F397 PolarHBondContact O-N 3.22Å; S394-F397 VanDerWaalsContact O-N 3.12Å
395D76.9Confident66.8Low124 Ų124128 Ų12866%0.66367%0.67SS**G310 helixtrans-61.3-29.3-178.6-62.1-13.6000113.1P393 F397 V398P393-D395 PolarHBondContact O-N 3.27Å; D395-F397 PolarHBondContact O-N 2.92Å; D395-F397 VanDerWaalsContact O-N 3.16Å; D395-V398 PolarHBondContact O-N 3.33Å
396Y72.4Confident64.7Low185 Ų185127.4 Ų127.473%0.72568%0.68SS**G310 helixtrans-64.6-19.5177.4-80.4-94.1000113.4P393 S394P393-Y396 HydrophobicContact CB-CD2 4.07Å; P393-Y396 HydrophobicContact CB-CE2 4.34Å; P393-Y396 HydrophobicContact CG-CD2 4.23Å; P393-Y396 HydrophobicContact CG-CE2 4.11Å; P393-Y396 PolarHBondContact O-N 2.89Å; P393-Y396 VanDerWaalsContact O-N 3.12Å; S394-Y396 PolarHBondContact O-N 3.18Å
397F69.4Low62.4Low87 Ų87127.1 Ų127.138%0.38269%0.692SS.*G310 helixtrans-1081-173.9-63.9-85.9000113.9P392 S394 D395 G399 Q400P392-F397 HydrophobicContact CB-CE2 4.09Å; P392-F397 HydrophobicContact CG-CE2 3.68Å; P392-F397 HydrophobicContact CG-CZ 4.08Å; S394-F397 PolarHBondContact O-N 3.22Å; S394-F397 VanDerWaalsContact O-N 3.12Å; D395-F397 PolarHBondContact O-N 2.92Å; D395-F397 VanDerWaalsContact O-N 3.16Å; F397-G399 PolarHBondContact O-N 3.41Å; F397-Q400 PolarHBondContact O-N 3.18Å
398V66.1Low60.7Low116 Ų116127 Ų12770%0.70370%0.701SS**THydrogen-bonded Turntrans-67.8-17-175.6-177.40000112.6D395D395-V398 PolarHBondContact O-N 3.33Å
399G59Low58.8Low76 Ų76129.7 Ų129.778%0.78470%0.704SS**THydrogen-bonded Turntrans-96.6-5.5178.300000116.8F397F397-G399 PolarHBondContact O-N 3.41Å
400Q58.8Low56.6Low149 Ų149124.9 Ų124.970%0.69670%0.697SS**  trans-90.1-0.3-172.3-78.9-167.4-42.800114.9F397 R402F397-Q400 PolarHBondContact O-N 3.18Å; Q400-R402 PolarHBondContact O-N 3.46Å
401K50.8Low54.2Low196 Ų196128.4 Ų128.485%0.85271%0.705SS**SBendtrans-88.6103177.2-69.1-165.9179.6-179.80110.4
402R52.5Low52Low241 Ų241132 Ų13291%0.90973%0.728SS**  trans103.879.7166.4-56.2-167.9-168-153.16.3115.6Q400Q400-R402 PolarHBondContact O-N 3.46Å
403T35.6Very low50Low140 Ų140140 Ų14086%0.85975%0.75SS**  -138.2121.7129.451.50000108.1
404G35.5Very low47.9Very low73 Ų73142.4 Ų142.475%0.75377%0.766SS**  trans-69.6147.4167.100000109.5S406G404-S406 PolarHBondContact O-N 3.36Å
405F36.5Very low45.9Very low217 Ų217140.7 Ų140.795%0.95276%0.764SS**SBendtrans16.2101.6154.3-107.8-100.1000116.7
406S31.8Very low44.4Very low114 Ų114141.3 Ų141.380%0.79777%0.774SS**  trans169.8149.5130.9-174.70000110.9G404G404-S406 PolarHBondContact O-N 3.36Å
407S34.1Very low42.4Very low84 Ų84136.9 Ų136.959%0.58778%0.776SS**  trans84.494.3150.7-169.60000118Q409S407-Q409 PolarHBondContact O-N 2.87Å
408S45Very low40.6Very low120 Ų120141.3 Ų141.384%0.83980%0.798SS**  trans-39.3120.2140.749.50000111.8
409Q36.8Very low38.9Very low165 Ų165139.9 Ų139.977%0.77179%0.793SS**  trans-137120.3157.9-116.4176-3.600110.6S407S407-Q409 PolarHBondContact O-N 2.87Å
410A32.8Very low37.6Very low89 Ų89143.5 Ų143.574%0.73679%0.794SS**  trans-61.3130.2172.500000109.8S412A410-S412 PolarHBondContact O-N 2.85Å; A410-S412 VanDerWaalsContact O-N 3.07Å
411W30.6Very low37Very low256 Ų256142.3 Ų142.397%0.9780%0.799SS**  trans-7897.6172.2-72.661.8000108
412S33.9Very low35.8Very low110 Ų110136.8 Ų136.877%0.76980%0.798SS**  trans-78.3136.1163-650000109.3A410A410-S412 PolarHBondContact O-N 2.85Å; A410-S412 VanDerWaalsContact O-N 3.07Å
413R36.7Very low34.8Very low228 Ų228134.2 Ų134.286%0.8680%0.797SS**  trans-25.7141.7164.1-175.6-174.6-123-114.91.9115.4
414P38.3Very low34.3Very low126 Ų126133.1 Ų133.182%0.81879%0.794SS**  trans-94.3126.1155.63.915.9000111.1
415G29.2Very low33.9Very low59 Ų59135 Ų13561%0.60880%0.795SS**  trans-92-177.315700000111.6
416P46.2Very low33.5Very low137 Ų137131.6 Ų131.689%0.8979%0.787SS**  trans-103.2168.1-136.339.5-37.2000115.9
417A30.6Very low33.5Very low92 Ų92134.8 Ų134.876%0.7679%0.789SS**  trans-145.4113.616400000108.6
418Q31.4Very low33.4Very low180 Ų180135.1 Ų135.184%0.84179%0.792SS**  67.896.287.4-67.5-108.3-1900112.2
419S31.3Very low32.7Very low86 Ų86137.8 Ų137.860%0.60179%0.791SS**  70.3119.697.148.10000113.8
420D31.7Very low32.5Very low152 Ų152133.4 Ų133.481%0.81379%0.789SS**  173-176.683.6-100.4-22.8000109.9
421P45.4Very low32.5Very low123 Ų123135.6 Ų135.680%0.79980%0.796SS**  -131.4170-64.837.2-17.6000112.8
422G26.6Very low32.5Very low81 Ų81129 Ų12984%0.83579%0.789SS**  trans-164.1123.6174.900000113.6
423Q31.6Very low33.1Very low186 Ų186129.7 Ų129.787%0.86979%0.791SS**  trans-73.5153.7-159.1-73.4171.7-7.400119
424C23.7Very low32.7Very low118 Ų118123 Ų12380%0.79778%0.784SS**  trans61.6139.6140.5-65.60000119.5
425S28.6Very low32.4Very low113 Ų113126 Ų12679%0.7979%0.787SS**  cis-154150.135.2-72.40000114.1
426D27.8Very low32.5Very low145 Ų145130.7 Ų130.778%0.77580%0.797SS**  trans-7.1131.5145.2-98.7-37.1000119.2
427Q32.2Very low31.9Very low180 Ų180129.7 Ų129.784%0.84179%0.793SS**  -174.2116.4105.9-101.8170.659.400111.6
428S31.1Very low32.7Very low92 Ų92130.4 Ų130.464%0.64379%0.79SS**  trans-66.2138.5160.453.60000111.3
429H31Very low32.8Very low176 Ų176128.2 Ų128.282%0.81579%0.789SS**  trans-163.9113.9137.6-84.5-56.6000109.2
430G31.4Very low33.1Very low72 Ų72129.7 Ų129.774%0.74280%0.797SS**  trans-80.7162.8160.900000110.8
431P34Very low33.7Very low136 Ų136127.2 Ų127.288%0.88380%0.797SS**  -136.4159.9119.430.7-15.2000114.7
432S30.3Very low33.5Very low118 Ų118127.1 Ų127.183%0.82580%0.796SS**  trans-72.8175.2-179.3-92.10000114.3
433P45.7Very low34.2Very low123 Ų123130.6 Ų130.680%0.79980%0.796SS**  trans-97160.3-146.638.3-34.1000113.8
434A29.3Very low34.8Very low88 Ų88129.5 Ų129.573%0.72780%0.796SS**  trans-138.7115.7169.300000112.3
435H30.7Very low36.2Very low190 Ų190129 Ų12988%0.8879%0.791SS**  trans59.8128.9137.3-66-78.2000122.6
436I33Very low37Very low156 Ų156129.7 Ų129.780%0.879%0.793SS**  trans-88.8146.4-178.1-54.8149.8000109.2
437S33.3Very low37.9Very low117 Ų117131.2 Ų131.282%0.81880%0.795SS**  trans-149.7141.9149.4-64.70000109.1
438P46.5Very low38.6Very low107 Ų107126.5 Ų126.570%0.69579%0.787SS**  trans-99.6174.2-167.338.5-33.6000114.2
439T32.8Very low39.4Very low134 Ų134127.7 Ų127.782%0.82279%0.793SS**  trans94.7152.7161.354.60000119.8
440P38.2Very low40.4Very low117 Ų117124.8 Ų124.876%0.7679%0.788SS**  cis-122.5169.5-31.531.4-12.9000112.4
441A44.5Very low42.1Very low100 Ų100125.4 Ų125.483%0.82678%0.777SS**  trans-67.4146.6178.200000113.1
442P40.8Very low43.4Very low120 Ų120124.2 Ų124.278%0.77977%0.768SS**  trans-114.8131.2150.932.3-19.9000111.9
443D42.8Very low45.9Very low155 Ų155121.5 Ų121.583%0.82974%0.741SS**  trans1.1125.1162.7-60.4-43.1000120.1
444N43.6Very low47.3Very low163 Ų163125 Ų12587%0.87274%0.743SS**PPolyproline II helixtrans-59.7128.5163.4-74.9-33.8000110.7
445P53.6Low49.8Very low107 Ų107125 Ų12570%0.69573%0.734SS**PPolyproline II helixtrans-71.6156.1162.329-31000110.8Q447P445-Q447 PolarHBondContact O-N 2.81Å
446P43.6Very low51.4Low128 Ų128121.3 Ų121.383%0.83172%0.721SS**PPolyproline II helixtrans-66.1124.3-166.726.6-33.6000111.3A448P446-A448 PolarHBondContact O-N 2.81Å
447Q47Very low53.7Low176 Ų176119.7 Ų119.782%0.82271%0.714SS**PPolyproline II helixtrans-56.9132.3167.2-78.6-178.3-15.400109.4P445P445-Q447 PolarHBondContact O-N 2.81Å
448A47.1Very low56Low81 Ų81117.5 Ų117.567%0.66969%0.693SS**PPolyproline II helixtrans-52.9146167.500000110P446 T450P446-A448 PolarHBondContact O-N 2.81Å; A448-T450 PolarHBondContact O-N 2.66Å; A448-T450 VanDerWaalsContact O-N 3.1Å
449P48.4Very low57.7Low118 Ų118115 Ų11577%0.76667%0.673SS**PPolyproline II helixtrans-59.9120.3-173.424.3-33.4000110.3V451P449-V451 PolarHBondContact O-N 2.79Å
450T51.4Low60Low115 Ų115113 Ų11371%0.70666%0.656SS**  trans-63.3105.8170.948.60000108.7A448 T452A448-T450 PolarHBondContact O-N 2.66Å; A448-T450 VanDerWaalsContact O-N 3.1Å; T450-T452 PolarHBondContact O-N 3.46Å; T450-T452 VanDerWaalsContact O-N 3.15Å
451V67.6Low61.9Low85 Ų85109.5 Ų109.552%0.51563%0.634SS.*  trans-73.6106.2174.5-171.70000108P449 F453P449-V451 PolarHBondContact O-N 2.79Å; V451-F453 HydrophobicContact CB-CZ 4.21Å; V451-F453 HydrophobicContact CG1-CD1 4.21Å; V451-F453 HydrophobicContact CG1-CE1 3.53Å; V451-F453 HydrophobicContact CG1-CE2 4.35Å; V451-F453 HydrophobicContact CG1-CZ 3.6Å
452T60.8Low63.9Low111 Ų111109 Ų10968%0.68161%0.612SS**  trans-95.7113.6174.7560000109.6T450T450-T452 PolarHBondContact O-N 3.46Å; T450-T452 VanDerWaalsContact O-N 3.15Å
453F83.8Confident65.4Low61 Ų61109 Ų10927%0.26860%0.597SS.*  trans-80.2131.3176.3-54.4-71.5000110.8V451 M459 Y462V451-F453 HydrophobicContact CB-CZ 4.21Å; V451-F453 HydrophobicContact CG1-CD1 4.21Å; V451-F453 HydrophobicContact CG1-CE1 3.53Å; V451-F453 HydrophobicContact CG1-CE2 4.35Å; V451-F453 HydrophobicContact CG1-CZ 3.6Å; F453-M459 HydrophobicContact CB-CB 3.96Å; F453-M459 HydrophobicContact CD1-CB 4.32Å; F453-M459 HydrophobicContact CD2-CB 4.07Å; F453-M459 HydrophobicContact CD2-CG 4.01Å; F453-M459 HydrophobicContact CE2-CG 4.41Å; F453-M459 HydrophobicContact CG-CB 3.84Å; F453-M459 HydrophobicContact CG-CG 4.29Å; F453-Y462 VanDerWaalsContact CE1-CB 3.48Å; F453-Y462 AromaticContact CE1-CD1 3.92Å; F453-Y462 HydrophobicContact CE1-CD1 3.92Å; F453-Y462 AromaticContact CE1-CD2 3.89Å; F453-Y462 HydrophobicContact CE1-CD2 3.89Å; F453-Y462 AromaticContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE1-CG 3.48Å; F453-Y462 VanDerWaalsContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE2-CD1 4.4Å; F453-Y462 AromaticContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD1 3.41Å; F453-Y462 VanDerWaalsContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD2 4.05Å; F453-Y462 AromaticContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE2 4.45Å; F453-Y462 AromaticContact CZ-CG 3.5Å; F453-Y462 HydrophobicContact CZ-CG 3.5Å
454K75Confident66.8Low195 Ų195109.4 Ų109.485%0.84859%0.591SS**SBendtrans-88.6-26.1-179.1-69.7-178.9-179.4173.80112.8D458K454-D458 PolarHBondContact N-OD2 3.36Å
455T80.6Confident67.3Low88 Ų88109.3 Ų109.354%0.5459%0.586SS.*SBendtrans-137.6157.9-177.455.80000111.2D457 D458 M459T455-D457 PolarHBondContact O-N 2.77Å; T455-D458 WeakPolarHBondContact O-CB 3.45Å; T455-D458 PolarHBondContact O-N 3.09Å; T455-D458 WeakPolarHBondContact OG1-CB 3.43Å; T455-M459 PolarHBondContact O-N 3.12Å
456L65.9Low67.3Low114 Ų114109 Ų10960%0.59758%0.581SS**Hα-helixtrans-62.3-35.7-179.9-169.681.8000111.8M459 I460L456-M459 HydrophobicContact CD1-CE 3.79Å; L456-M459 PolarHBondContact O-N 3.49Å; L456-I460 HydrophobicContact CD2-CD1 4.21Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.42Å
457D80.5Confident67.2Low121 Ų121111 Ų11165%0.64759%0.591SS**Hα-helixtrans-70.6-33.4-179.1-152.538.5000112T455 S461T455-D457 PolarHBondContact O-N 2.77Å; D457-S461 WeakPolarHBondContact O-CB 3.35Å; D457-S461 PolarHBondContact O-N 2.82Å; D457-S461 PolarHBondContact O-OG 3Å
458D82.5Confident68.2Low71 Ų71107.7 Ų107.738%0.3858%0.58SS.*Hα-helixtrans-66.3-45.4174.6-177.733.6000111.3K454 T455 S461 Y462K454-D458 PolarHBondContact N-OD2 3.36Å; T455-D458 WeakPolarHBondContact O-CB 3.45Å; T455-D458 PolarHBondContact O-N 3.09Å; T455-D458 WeakPolarHBondContact OG1-CB 3.43Å; D458-S461 PolarHBondContact O-N 3.15Å; D458-Y462 WeakPolarHBondContact O-CB 3.11Å; D458-Y462 PolarHBondContact O-N 3.3Å
459M82.2Confident69.3Low56 Ų56109.1 Ų109.128%0.27658%0.575SS.*Hα-helixtrans-63.5-46174.5-177.4-171.360.800112.1F453 T455 L456 S461 Y462 Y463F453-M459 HydrophobicContact CB-CB 3.96Å; F453-M459 HydrophobicContact CD1-CB 4.32Å; F453-M459 HydrophobicContact CD2-CB 4.07Å; F453-M459 HydrophobicContact CD2-CG 4.01Å; F453-M459 HydrophobicContact CE2-CG 4.41Å; F453-M459 HydrophobicContact CG-CB 3.84Å; F453-M459 HydrophobicContact CG-CG 4.29Å; T455-M459 PolarHBondContact O-N 3.12Å; L456-M459 HydrophobicContact CD1-CE 3.79Å; L456-M459 PolarHBondContact O-N 3.49Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.3Å; M459-Y462 PolarHBondContact O-N 2.71Å; M459-Y463 HydrophobicContact CG-CD2 4.12Å; M459-Y463 HydrophobicContact CG-CE2 4Å; M459-Y463 WeakPolarHBondContact O-CD2 3.43Å; M459-Y463 PolarHBondContact O-N 2.75Å
460I79.8Confident70.5Confident90 Ų90108.6 Ų108.646%0.46257%0.565SS.*Hα-helixtrans-66.3-38.3-179.6-67.8168.5000110.7L456 K464L456-I460 HydrophobicContact CD2-CD1 4.21Å; L456-I460 HydrophobicContact CG-CD1 3.94Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.28Å; L456-I460 PolarHBondContact O-N 3.42Å; I460-K464 WeakPolarHBondContact O-CB 3.49Å; I460-K464 PolarHBondContact O-N 3.34Å; I460-K464 VanDerWaalsContact O-N 3.12Å
461S78.9Confident71.6Confident45 Ų45108.2 Ų108.232%0.31556%0.556SS.*Hα-helixtrans-67.1-41177.2-63.40000112.3D457 D458 M459 Y463 K464 Q465D457-S461 WeakPolarHBondContact O-CB 3.35Å; D457-S461 PolarHBondContact O-N 2.82Å; D457-S461 PolarHBondContact O-OG 3Å; D458-S461 PolarHBondContact O-N 3.15Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.3Å; S461-Y463 PolarHBondContact O-N 2.93Å; S461-K464 PolarHBondContact O-N 3.05Å; S461-K464 VanDerWaalsContact O-N 3.16Å; S461-Q465 WeakPolarHBondContact O-CG 3.47Å; S461-Q465 PolarHBondContact O-N 3.48Å; S461-Q465 VanDerWaalsContact O-N 3.12Å
462Y85.3Confident71.8Confident89 Ų89109.7 Ų109.735%0.34956%0.559SS.*Hα-helixtrans-57.2-50175.4177.4-97.1000111.9F453 D458 M459 K464 Q465 V466F453-Y462 VanDerWaalsContact CE1-CB 3.48Å; F453-Y462 AromaticContact CE1-CD1 3.92Å; F453-Y462 HydrophobicContact CE1-CD1 3.92Å; F453-Y462 AromaticContact CE1-CD2 3.89Å; F453-Y462 HydrophobicContact CE1-CD2 3.89Å; F453-Y462 AromaticContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE1-CG 3.48Å; F453-Y462 VanDerWaalsContact CE1-CG 3.48Å; F453-Y462 HydrophobicContact CE2-CD1 4.4Å; F453-Y462 AromaticContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD1 3.41Å; F453-Y462 VanDerWaalsContact CZ-CD1 3.41Å; F453-Y462 HydrophobicContact CZ-CD2 4.05Å; F453-Y462 AromaticContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE1 3.88Å; F453-Y462 HydrophobicContact CZ-CE2 4.45Å; F453-Y462 AromaticContact CZ-CG 3.5Å; F453-Y462 HydrophobicContact CZ-CG 3.5Å; D458-Y462 WeakPolarHBondContact O-CB 3.11Å; D458-Y462 PolarHBondContact O-N 3.3Å; M459-Y462 PolarHBondContact O-N 2.71Å; Y462-K464 PolarHBondContact O-N 3.13Å; Y462-Q465 PolarHBondContact O-N 3.28Å; Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 4.33Å; Y462-V466 VanDerWaalsContact O-CG2 3.25Å; Y462-V466 WeakPolarHBondContact O-CG2 3.48Å; Y462-V466 PolarHBondContact O-N 3.13Å
463Y73.1Confident72.6Confident120 Ų120109.6 Ų109.647%0.47155%0.551SS.*Hα-helixtrans-72.1-17.8179.3-73.4-70.7000114M459 S461M459-Y463 HydrophobicContact CG-CD2 4.12Å; M459-Y463 HydrophobicContact CG-CE2 4Å; M459-Y463 WeakPolarHBondContact O-CD2 3.43Å; M459-Y463 PolarHBondContact O-N 2.75Å; S461-Y463 PolarHBondContact O-N 2.93Å
464K71.9Confident71.8Confident164 Ų164113.1 Ų113.171%0.71357%0.571SS**Hα-helixtrans-80.7-22.2174.3-165.3179.6178.4-164.40113I460 S461 Y462I460-K464 WeakPolarHBondContact O-CB 3.49Å; I460-K464 PolarHBondContact O-N 3.34Å; I460-K464 VanDerWaalsContact O-N 3.12Å; S461-K464 PolarHBondContact O-N 3.05Å; S461-K464 VanDerWaalsContact O-N 3.16Å; Y462-K464 PolarHBondContact O-N 3.13Å
465Q54.7Low71.5Confident160 Ų160106.8 Ų106.875%0.74855%0.55SS*.Hα-helixtrans-93.6-16.9179-69.3174.69.100113.2S461 Y462S461-Q465 WeakPolarHBondContact O-CG 3.47Å; S461-Q465 PolarHBondContact O-N 3.48Å; S461-Q465 VanDerWaalsContact O-N 3.12Å; Y462-Q465 PolarHBondContact O-N 3.28Å
466V53.9Low70.8Confident100 Ų100108.3 Ų108.361%0.60655%0.55SS**  trans-92.6-5.3-176.91760000113Y462Y462-V466 HydrophobicContact CE1-CG2 4.31Å; Y462-V466 HydrophobicContact CE2-CG2 4.33Å; Y462-V466 VanDerWaalsContact O-CG2 3.25Å; Y462-V466 WeakPolarHBondContact O-CG2 3.48Å; Y462-V466 PolarHBondContact O-N 3.13Å
467T40.8Very low71.2Confident170 Ų170107.8 Ų107.8100%1.04355%0.546SS*.  trans-102.70168.455.30000110.7

Retrieved 467 of 467 residues in 152.1 ms (Link to these results)