A0A087Y5Y3_POEFO Loading...

Heme oxygenase

AlphaFold DB (A0A3B3UPL3), UniProt , Accession A0A087Y5Y3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M51.8Low48.4Very low175 Ų175129.8 Ų129.886%0.86265%0.646SS**  0-60.70-111.5178.580.200114.5E4 K5M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.87Å; M1-K5 WeakPolarHBondContact O-CB 3.34Å; M1-K5 PolarHBondContact O-N 3.01Å; M1-K5 VanDerWaalsContact O-N 3.1Å
2E52.3Low48.3Very low174 Ų174130.3 Ų130.381%0.81365%0.645SS**Hα-helixtrans-72-39-178.2-121.2-178.9173.400113.4R6E2-R6 WeakPolarHBondContact O-CB 3.4Å; E2-R6 PolarHBondContact O-N 3.26Å; E2-R6 VanDerWaalsContact O-N 3.11Å
3T48.3Very low48.3Very low112 Ų112129.2 Ų129.269%0.68764%0.637SS**Hα-helixtrans-64.5-45174.72.70000111.6R6 T7T3-R6 PolarHBondContact O-N 3.38Å; T3-T7 PolarHBondContact O-N 3.07Å; T3-T7 PolarHBondContact O-OG1 3.01Å
4E48Very low48.6Very low125 Ų125124.3 Ų124.358%0.58462%0.618SS**Hα-helixtrans-64.1-42.9177.3-69.4155.6146.900111.9M1 R6 T7 Q8M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.87Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 2.91Å; E4-T7 PolarHBondContact O-N 2.87Å; E4-Q8 VanDerWaalsContact O-CB 3.23Å; E4-Q8 WeakPolarHBondContact O-CB 3.45Å; E4-Q8 PolarHBondContact O-N 3.47Å
5K43.5Very low49.2Very low151 Ų151122.3 Ų122.366%0.65762%0.615SS**Hα-helixtrans-60.3-34.7173.8-103.9-178.2174.6179.80112.9M1 K9M1-K5 WeakPolarHBondContact O-CB 3.34Å; M1-K5 PolarHBondContact O-N 3.01Å; M1-K5 VanDerWaalsContact O-N 3.1Å; K5-K9 VanDerWaalsContact O-CB 3.24Å; K5-K9 WeakPolarHBondContact O-CB 3.13Å; K5-K9 PolarHBondContact O-N 3.3Å
6R47.5Very low50Low209 Ų209121.9 Ų121.979%0.78962%0.621SS**Hα-helixtrans-74.1-41179.2-146174.6-172177.42111.4E2 T3 E4 S10E2-R6 WeakPolarHBondContact O-CB 3.4Å; E2-R6 PolarHBondContact O-N 3.26Å; E2-R6 VanDerWaalsContact O-N 3.11Å; T3-R6 PolarHBondContact O-N 3.38Å; E4-R6 VanDerWaalsContact C-N 3.26Å; E4-R6 PolarHBondContact O-N 2.91Å; R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.26Å; R6-S10 PolarHBondContact O-N 3.26Å
7T48.8Very low51.7Low97 Ų97124 Ų12460%0.59562%0.619SS**Hα-helixtrans-65.9-40.1175-470000111.4T3 E4 S10 A11T3-T7 PolarHBondContact O-N 3.07Å; T3-T7 PolarHBondContact O-OG1 3.01Å; E4-T7 PolarHBondContact O-N 2.87Å; T7-S10 PolarHBondContact O-N 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.44Å; T7-A11 PolarHBondContact O-N 3.35Å
8Q45.3Very low54.1Low127 Ų127121.4 Ų121.459%0.59361%0.608SS**Hα-helixtrans-72.8-39.8-178.5-154.8157.2800112.2E4 A11 E12E4-Q8 VanDerWaalsContact O-CB 3.23Å; E4-Q8 WeakPolarHBondContact O-CB 3.45Å; E4-Q8 PolarHBondContact O-N 3.47Å; Q8-A11 PolarHBondContact O-N 3.06Å; Q8-E12 PolarHBondContact O-N 2.56Å
9K42Very low56.4Low134 Ų134115.2 Ų115.258%0.58358%0.576SS**Hα-helixtrans-66.8-35.2172.1-167.9176-176.5179.70112.7K5 Q13K5-K9 VanDerWaalsContact O-CB 3.24Å; K5-K9 WeakPolarHBondContact O-CB 3.13Å; K5-K9 PolarHBondContact O-N 3.3Å; K9-Q13 VanDerWaalsContact O-CB 3.32Å; K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 VanDerWaalsContact O-CG 3.29Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.87Å
10S52.8Low58.3Low68 Ų68109.8 Ų109.848%0.47655%0.55SS.*Hα-helixtrans-68.8-38.5173.6-172.80000111.9R6 T7 T14R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.26Å; R6-S10 PolarHBondContact O-N 3.26Å; T7-S10 PolarHBondContact O-N 3.32Å; S10-T14 PolarHBondContact O-N 3.3Å; S10-T14 VanDerWaalsContact O-N 3.17Å; S10-T14 PolarHBondContact O-OG1 3.13Å
11A52.1Low60.2Low56 Ų56109.5 Ų109.546%0.46355%0.547SS..Hα-helixtrans-69-44.817700000111.8T7 Q8 T14 V15T7-A11 WeakPolarHBondContact O-CB 3.44Å; T7-A11 PolarHBondContact O-N 3.35Å; Q8-A11 PolarHBondContact O-N 3.06Å; A11-T14 PolarHBondContact O-N 3.41Å; A11-V15 WeakPolarHBondContact O-CG2 3.48Å; A11-V15 PolarHBondContact O-N 3.41Å; A11-V15 VanDerWaalsContact O-N 3.14Å
12E47.2Very low62.4Low136 Ų136101.7 Ų101.764%0.63651%0.508SS*.Hα-helixtrans-63.4-41.4175.4-84.5176.2152.300112.6Q8 T14 V15 T16Q8-E12 PolarHBondContact O-N 2.56Å; E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 3.38Å; E12-V15 PolarHBondContact O-N 3.18Å; E12-T16 WeakPolarHBondContact O-CG2 3.34Å; E12-T16 PolarHBondContact O-N 2.78Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 2.89Å
13Q48.7Very low64.5Low116 Ų11693.4 Ų93.454%0.54247%0.47SS..Hα-helixtrans-64.7-34.3176.6-79.5-176.7-40.700112.8K9 T16 R17K9-Q13 VanDerWaalsContact O-CB 3.32Å; K9-Q13 WeakPolarHBondContact O-CB 3.29Å; K9-Q13 VanDerWaalsContact O-CG 3.29Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.87Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.45Å; Q13-T16 PolarHBondContact O-N 2.73Å; Q13-T16 PolarHBondContact O-OG1 3.01Å; Q13-R17 PolarHBondContact O-N 3.36Å
14T52.6Low66.8Low60 Ų6094.7 Ų94.737%0.36847%0.466SS..Hα-helixtrans-70-34.8176.1-57.50000111.9S10 A11 E12 T16 Q22S10-T14 PolarHBondContact O-N 3.3Å; S10-T14 VanDerWaalsContact O-N 3.17Å; S10-T14 PolarHBondContact O-OG1 3.13Å; A11-T14 PolarHBondContact O-N 3.41Å; E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 3.38Å; T14-T16 VanDerWaalsContact C-N 3.34Å; T14-Q22 PolarHBondContact O-NE2 2.82Å
15V56.7Low69.1Low95 Ų9594.7 Ų94.758%0.57647%0.466SS*.Hα-helixtrans-69.4-32.1174.6178.80000111.8A11 E12 R17A11-V15 WeakPolarHBondContact O-CG2 3.48Å; A11-V15 PolarHBondContact O-N 3.41Å; A11-V15 VanDerWaalsContact O-N 3.14Å; E12-V15 PolarHBondContact O-N 3.18Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 2.98Å
16T61.7Low71.7Confident115 Ų11590.4 Ų90.471%0.70645%0.452SS*.THydrogen-bonded Turntrans-78.4-9.5179.454.40000115.7E12 Q13 T14E12-T16 WeakPolarHBondContact O-CG2 3.34Å; E12-T16 PolarHBondContact O-N 2.78Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 2.89Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.45Å; Q13-T16 PolarHBondContact O-N 2.73Å; Q13-T16 PolarHBondContact O-OG1 3.01Å; T14-T16 VanDerWaalsContact C-N 3.34Å
17R80Confident74.1Confident158 Ų15880.7 Ų80.760%0.59642%0.416SS*.SBendtrans-87.2144180-107.7-177.3174.6142.1-0.5111.7Q13 V15 E21 Q22Q13-R17 PolarHBondContact O-N 3.36Å; V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 PolarHBondContact O-N 2.98Å; R17-E21 IonicContact NE-OE2 2.65Å; R17-Q22 HydrophobicContact CB-CG 3.93Å; R17-Q22 PolarHBondContact O-NE2 3.21Å
18D95.3Very high76.4Confident78 Ų7882.3 Ų82.342%0.41742%0.415SS..  trans-58.4138175.2-87.3-14.9000112S20 E21 Q22 N192D18-S20 PolarHBondContact O-N 3.45Å; D18-E21 HydrophobicContact CB-CB 4.48Å; D18-E21 HydrophobicContact CB-CG 4.09Å; D18-E21 PolarHBondContact O-N 2.64Å; D18-Q22 WeakPolarHBondContact O-CG 3.41Å; D18-Q22 PolarHBondContact O-N 3.21Å; D18-Q22 VanDerWaalsContact O-N 3.07Å; D18-N192 HydrophobicContact CB-CB 4.46Å; D18-N192 WeakPolarHBondContact CB-ND2 3.46Å; D18-N192 VanDerWaalsContact CG-CG 3.49Å; D18-N192 PolarHBondContact OD2-ND2 3.38Å
19L96.4Very high78.9Confident2 Ų283.8 Ų83.81%0.0142%0.422CS..Hα-helixtrans-55.5-38.4-178.9179.759.5000111.7E21 Q22 I23 V136 M191 N192 L196 R201 V204 L205L19-E21 PolarHBondContact O-N 3.5Å; L19-Q22 PolarHBondContact O-N 3.34Å; L19-I23 HydrophobicContact CD1-CD1 4.15Å; L19-I23 HydrophobicContact CD1-CG1 4.19Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 3.15Å; L19-V136 HydrophobicContact CD2-CG1 4.42Å; L19-M191 HydrophobicContact CD2-CG 3.98Å; L19-M191 HydrophobicContact CG-CG 4.42Å; L19-N192 PolarHBondContact N-OD1 3.44Å; L19-L196 HydrophobicContact CD2-CD1 3.94Å; L19-R201 HydrophobicContact CD1-CG 4.35Å; L19-V204 HydrophobicContact CD1-CG1 4.19Å; L19-L205 HydrophobicContact CD1-CD2 4.2Å
20S95.9Very high81.5Confident8 Ų877.7 Ų77.76%0.05640%0.396CS..Hα-helixtrans-63.6-36.2177.458.20000114.4D18 K24 N192D18-S20 PolarHBondContact O-N 3.45Å; S20-K24 WeakPolarHBondContact O-CB 3.46Å; S20-K24 PolarHBondContact O-N 3.42Å; S20-K24 VanDerWaalsContact O-N 3.11Å; S20-N192 WeakPolarHBondContact CB-OD1 3.3Å; S20-N192 PolarHBondContact N-OD1 3.5Å; S20-N192 PolarHBondContact OG-ND2 3.03Å; S20-N192 PolarHBondContact OG-OD1 2.81Å
21E96.7Very high83.5Confident103 Ų10378.4 Ų78.448%0.48139%0.392SS..Hα-helixtrans-71.6-41.6175.4-63.9-169153.100110.9R17 D18 L19 K24 E25R17-E21 IonicContact NE-OE2 2.65Å; D18-E21 HydrophobicContact CB-CB 4.48Å; D18-E21 HydrophobicContact CB-CG 4.09Å; D18-E21 PolarHBondContact O-N 2.64Å; L19-E21 PolarHBondContact O-N 3.5Å; E21-K24 PolarHBondContact O-N 3.34Å; E21-E25 PolarHBondContact O-N 3.47Å
22Q97.6Very high85.6Confident11 Ų1179.2 Ų79.25%0.05139%0.391CS..Hα-helixtrans-61.2-49.1177.2-62.9-174.153.200111.3T14 R17 D18 L19 K24 E25 V26 L205T14-Q22 PolarHBondContact O-NE2 2.82Å; R17-Q22 HydrophobicContact CB-CG 3.93Å; R17-Q22 PolarHBondContact O-NE2 3.21Å; D18-Q22 WeakPolarHBondContact O-CG 3.41Å; D18-Q22 PolarHBondContact O-N 3.21Å; D18-Q22 VanDerWaalsContact O-N 3.07Å; L19-Q22 PolarHBondContact O-N 3.34Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.92Å; Q22-E25 PolarHBondContact O-N 2.93Å; Q22-V26 WeakPolarHBondContact O-CG1 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.34Å; Q22-V26 PolarHBondContact O-N 3.21Å; Q22-L205 HydrophobicContact CB-CD1 4.26Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å
23I97.6Very high88.1Confident0 Ų078.2 Ų78.20%038%0.381CS..Hα-helixtrans-58.6-45.9176.3-69.4174.4000110.6L19 E25 V26 T27 Y140 M191 V204 L205 A208L19-I23 HydrophobicContact CD1-CD1 4.15Å; L19-I23 HydrophobicContact CD1-CG1 4.19Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 HydrophobicContact CG-CG1 4.46Å; L19-I23 WeakPolarHBondContact O-CG1 3.42Å; L19-I23 PolarHBondContact O-N 3.15Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.45Å; I23-V26 PolarHBondContact O-N 3.32Å; I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.33Å; I23-T27 WeakPolarHBondContact O-CG2 3.23Å; I23-T27 PolarHBondContact O-N 3.44Å; I23-T27 PolarHBondContact O-OG1 3.33Å; I23-Y140 HydrophobicContact CB-CE1 4.35Å; I23-Y140 HydrophobicContact CG2-CD1 3.43Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I23-Y140 HydrophobicContact CG2-CE1 3.32Å; I23-Y140 HydrophobicContact CG2-CG 4.13Å; I23-M191 HydrophobicContact CD1-CE 4.1Å; I23-M191 HydrophobicContact CD1-SD 3.96Å; I23-V204 HydrophobicContact CD1-CG1 4.01Å; I23-L205 HydrophobicContact CB-CD2 4.49Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; I23-A208 HydrophobicContact CG1-CB 4.37Å; I23-A208 HydrophobicContact CG2-CB 3.82Å
24K95.8Very high90.3Very high140 Ų14073.1 Ų73.161%0.60936%0.359SS*.Hα-helixtrans-58-41.6178.3-178.9-175.3175.5-171.80111.9S20 E21 Q22 K28S20-K24 WeakPolarHBondContact O-CB 3.46Å; S20-K24 PolarHBondContact O-N 3.42Å; S20-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 PolarHBondContact O-N 3.34Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.92Å; K24-K28 PolarHBondContact O-N 2.91Å
25E97.4Very high92.2Very high124 Ų12474.1 Ų74.158%0.57936%0.36SS*.Hα-helixtrans-69.1-52.5-179.7-17260.6-155.600111.5E21 Q22 I23 T27 K28E21-E25 PolarHBondContact O-N 3.47Å; Q22-E25 PolarHBondContact O-N 2.93Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.45Å; E25-T27 PolarHBondContact O-N 3.39Å; E25-K28 VanDerWaalsContact O-CB 3.24Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.17Å
26V97.9Very high94.1Very high61 Ų6174.1 Ų74.137%0.3736%0.356SS..Hα-helixtrans-67.2-26.5-175.9-56.50000113Q22 I23 L205 V209Q22-V26 WeakPolarHBondContact O-CG1 3.28Å; Q22-V26 WeakPolarHBondContact O-CG2 3.34Å; Q22-V26 PolarHBondContact O-N 3.21Å; I23-V26 PolarHBondContact O-N 3.32Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.2Å; V26-V209 HydrophobicContact CB-CG2 4.31Å; V26-V209 HydrophobicContact CG2-CG2 4.15Å
27T97.7Very high95.8Very high6 Ų669.1 Ų69.14%0.03733%0.326CS..THydrogen-bonded Turntrans-90.2-2.8179.358.90000114I23 E25 E29 S30 H31 A208 V209 F212I23-T27 HydrophobicContact CG2-CG2 4.15Å; I23-T27 WeakPolarHBondContact O-CB 3.33Å; I23-T27 WeakPolarHBondContact O-CG2 3.23Å; I23-T27 PolarHBondContact O-N 3.44Å; I23-T27 PolarHBondContact O-OG1 3.33Å; E25-T27 PolarHBondContact O-N 3.39Å; T27-E29 PolarHBondContact O-N 3.07Å; T27-S30 PolarHBondContact O-N 3.31Å; T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.41Å; T27-A208 HydrophobicContact CG2-CB 3.72Å; T27-V209 HydrophobicContact CG2-CG2 4.4Å; T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å
28K97.1Very high96.5Very high130 Ų13067.3 Ų67.357%0.56532%0.324SS*.Hα-helixtrans-54.9-47.3-174-176.9-177.8178.2-176.10113.2K24 E25 H31 V32K24-K28 PolarHBondContact O-N 2.91Å; E25-K28 VanDerWaalsContact O-CB 3.24Å; E25-K28 WeakPolarHBondContact O-CB 3.48Å; E25-K28 PolarHBondContact O-N 3.17Å; K28-H31 PolarHBondContact O-N 3.46Å; K28-V32 WeakPolarHBondContact O-CG2 3.06Å; K28-V32 PolarHBondContact O-N 3.21Å
29E97.4Very high96.4Very high159 Ų15963.7 Ų63.774%0.74331%0.305SS*.Hα-helixtrans-69.5-42.8-179.9-65.1-170.7166.900112.2T27 H31 V32 R33T27-E29 PolarHBondContact O-N 3.07Å; E29-H31 VanDerWaalsContact C-N 3.3Å; E29-H31 PolarHBondContact O-N 3.2Å; E29-V32 PolarHBondContact O-N 3.23Å; E29-R33 PolarHBondContact O-N 3.13Å
30S96.9Very high96.3Very high6 Ų664.4 Ų64.44%0.04231%0.308CS..Hα-helixtrans-66.1-33177-670000112.4T27 R33 A34 F212 E213T27-S30 PolarHBondContact O-N 3.31Å; S30-R33 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact OG-NH2 3.29Å; S30-A34 WeakPolarHBondContact O-CB 3.16Å; S30-A34 PolarHBondContact O-N 3.25Å; S30-F212 VanDerWaalsContact CB-CB 3.49Å; S30-E213 PolarHBondContact OG-OE1 2.87Å
31H94.7Very high96.3Very high82 Ų8265.8 Ų65.838%0.3832%0.315SS..Hα-helixtrans-61-49.6171.3-177.9-78.7000111.3T27 K28 E29 R33 A34 E35 F212T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.41Å; K28-H31 PolarHBondContact O-N 3.46Å; E29-H31 VanDerWaalsContact C-N 3.3Å; E29-H31 PolarHBondContact O-N 3.2Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.3Å; H31-A34 PolarHBondContact O-N 2.95Å; H31-E35 IonicContact CE1-OE1 3.11Å; H31-E35 PolarHBondContact CE1-OE1 2.96Å; H31-E35 IonicContact CE1-OE2 3.29Å; H31-E35 PolarHBondContact CE1-OE2 2.85Å; H31-E35 VanDerWaalsContact CE1-OE2 3.29Å; H31-E35 IonicContact ND1-OE1 3.86Å; H31-E35 IonicContact ND1-OE2 3.26Å; H31-E35 PolarHBondContact ND1-OE2 3.18Å; H31-E35 IonicContact NE2-OE1 3.41Å; H31-E35 PolarHBondContact O-N 2.93Å; H31-F212 HydrophobicContact CB-CD1 4.36Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.1Å; H31-F212 AromaticContact CD2-CE1 3.76Å; H31-F212 AromaticContact CD2-CZ 3.92Å
32V97.1Very high96.1Very high74 Ų7461.6 Ų61.645%0.44830%0.297SS..Hα-helixtrans-58.5-43.6176.5172.50000110.7K28 E29 E35 N36K28-V32 WeakPolarHBondContact O-CG2 3.06Å; K28-V32 PolarHBondContact O-N 3.21Å; E29-V32 PolarHBondContact O-N 3.23Å; V32-E35 PolarHBondContact O-N 3.48Å; V32-N36 PolarHBondContact O-N 3.39Å; V32-N36 PolarHBondContact O-ND2 2.82Å
33R97.8Very high95.9Very high114 Ų11461.1 Ų61.143%0.4330%0.295SS..Hα-helixtrans-63.1-42.4176.4-74.1-166.4-67.5119.7-1.1112.6E29 S30 H31 E35 N36 T37 E213 I216E29-R33 PolarHBondContact O-N 3.13Å; S30-R33 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact OG-NH2 3.29Å; H31-R33 VanDerWaalsContact C-N 3.3Å; H31-R33 PolarHBondContact O-N 3.3Å; R33-E35 PolarHBondContact O-N 3.5Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.06Å; R33-N36 VanDerWaalsContact O-N 3.14Å; R33-T37 PolarHBondContact O-N 2.96Å; R33-E213 IonicContact CZ-OE1 3.43Å; R33-E213 IonicContact CZ-OE2 3.49Å; R33-E213 IonicContact NH1-OE1 3.51Å; R33-E213 IonicContact NH1-OE2 2.81Å; R33-E213 PolarHBondContact NH1-OE2 3.24Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.08Å; R33-E213 IonicContact NH2-OE2 3.25Å; R33-E213 PolarHBondContact NH2-OE2 2.84Å; R33-I216 HydrophobicContact CB-CD1 3.88Å
34A95.4Very high95.7Very high10 Ų1065.8 Ų65.88%0.08332%0.317CS..Hα-helixtrans-59.8-44.1177.800000112.4S30 H31 N36 T37 M40 F212 I216S30-A34 WeakPolarHBondContact O-CB 3.16Å; S30-A34 PolarHBondContact O-N 3.25Å; H31-A34 PolarHBondContact O-N 2.95Å; A34-N36 PolarHBondContact O-N 2.86Å; A34-T37 WeakPolarHBondContact O-CG2 3.37Å; A34-T37 PolarHBondContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 2.82Å; A34-M40 WeakPolarHBondContact O-CG 3.45Å; A34-F212 HydrophobicContact CB-CD1 4.12Å; A34-I216 HydrophobicContact CB-CD1 4.27Å; A34-I216 HydrophobicContact CB-CG1 3.83Å
35E93.8Very high95.7Very high80 Ų8066.9 Ų66.937%0.37432%0.317SS..Hα-helixtrans-65.5-24.5177-69.7-176.1135.900113.4H31 V32 R33 M40H31-E35 IonicContact CE1-OE1 3.11Å; H31-E35 PolarHBondContact CE1-OE1 2.96Å; H31-E35 IonicContact CE1-OE2 3.29Å; H31-E35 PolarHBondContact CE1-OE2 2.85Å; H31-E35 VanDerWaalsContact CE1-OE2 3.29Å; H31-E35 IonicContact ND1-OE1 3.86Å; H31-E35 IonicContact ND1-OE2 3.26Å; H31-E35 PolarHBondContact ND1-OE2 3.18Å; H31-E35 IonicContact NE2-OE1 3.41Å; H31-E35 PolarHBondContact O-N 2.93Å; V32-E35 PolarHBondContact O-N 3.48Å; R33-E35 PolarHBondContact O-N 3.5Å; E35-M40 WeakPolarHBondContact O-CB 3.48Å
36N96.1Very high95.6Very high95 Ų9562.5 Ų62.551%0.50831%0.305SS..THydrogen-bonded Turntrans-95.27.4179.6-75.3-74.5000114.1V32 R33 A34 L41V32-N36 PolarHBondContact O-N 3.39Å; V32-N36 PolarHBondContact O-ND2 2.82Å; R33-N36 CarbonylContact O-C 3.6Å; R33-N36 PolarHBondContact O-N 3.06Å; R33-N36 VanDerWaalsContact O-N 3.14Å; A34-N36 PolarHBondContact O-N 2.86Å; N36-L41 WeakPolarHBondContact O-CD1 3.24Å
37T96.5Very high95.5Very high10 Ų1065.3 Ų65.36%0.06131%0.314CS..SBendtrans-64.9151.1169.858.10000111R33 A34 L39 M40 L41 I216 F219R33-T37 PolarHBondContact O-N 2.96Å; A34-T37 WeakPolarHBondContact O-CG2 3.37Å; A34-T37 PolarHBondContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 2.82Å; T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.29Å; T37-M40 PolarHBondContact O-N 3.15Å; T37-M40 VanDerWaalsContact O-N 3.08Å; T37-M40 WeakPolarHBondContact OG1-CB 3.32Å; T37-M40 VanDerWaalsContact OG1-CG 3.29Å; T37-M40 WeakPolarHBondContact OG1-CG 3.39Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.35Å; T37-I216 HydrophobicContact CG2-CB 4.46Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.05Å; T37-F219 HydrophobicContact CG2-CB 4.31Å; T37-F219 HydrophobicContact CG2-CD2 4.21Å
38E94.6Very high95.3Very high121 Ų12165.3 Ų65.357%0.56531%0.314SS*.Hα-helixtrans-56.3-40.4-177.1-69.7-167.8173.900112.7S42 Q223E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 2.84Å; E38-Q223 HydrophobicContact CB-CG 4.18Å; E38-Q223 VanDerWaalsContact OE2-CD 3.3Å; E38-Q223 WeakPolarHBondContact OE2-CG 3.43Å; E38-Q223 PolarHBondContact OE2-NE2 2.82Å
39L92.9Very high95.2Very high1 Ų162.2 Ų62.21%0.00531%0.306CS..Hα-helixtrans-62.9-46.8177.7-175.164.1000111T37 S42 F43 Q52 L56 F219 L222T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.29Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 2.93Å; L39-F43 HydrophobicContact CD1-CE2 4.24Å; L39-F43 HydrophobicContact CG-CD2 4.35Å; L39-F43 HydrophobicContact CG-CE2 4.22Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.97Å; L39-Q52 HydrophobicContact CD1-CB 3.96Å; L39-Q52 HydrophobicContact CD1-CG 3.99Å; L39-L56 HydrophobicContact CD2-CD1 4.43Å; L39-F219 HydrophobicContact CB-CB 4.31Å; L39-F219 HydrophobicContact CD2-CB 4.31Å; L39-F219 HydrophobicContact CD2-CD1 3.84Å; L39-F219 HydrophobicContact CD2-CG 4.31Å; L39-L222 HydrophobicContact CD2-CB 4.47Å; L39-L222 HydrophobicContact CD2-CD1 3.85Å
40M94.4Very high95Very high18 Ų1858.2 Ų58.29%0.08929%0.29CS..Hα-helixtrans-68.8-38.8-179.9-68.4-57.4101.900112.2A34 E35 T37 S42 F43 Q44 L153 F219A34-M40 WeakPolarHBondContact O-CG 3.45Å; E35-M40 WeakPolarHBondContact O-CB 3.48Å; T37-M40 PolarHBondContact O-N 3.15Å; T37-M40 VanDerWaalsContact O-N 3.08Å; T37-M40 WeakPolarHBondContact OG1-CB 3.32Å; T37-M40 VanDerWaalsContact OG1-CG 3.29Å; T37-M40 WeakPolarHBondContact OG1-CG 3.39Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.2Å; M40-F43 HydrophobicContact CE-CD2 3.76Å; M40-F43 HydrophobicContact CE-CE2 3.99Å; M40-F43 WeakPolarHBondContact O-CB 3.42Å; M40-F43 PolarHBondContact O-N 2.82Å; M40-Q44 WeakPolarHBondContact O-CG 3.31Å; M40-Q44 PolarHBondContact O-N 3.27Å; M40-L153 HydrophobicContact SD-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD2 4.44Å; M40-F219 HydrophobicContact CE-CE1 4.01Å; M40-F219 HydrophobicContact CE-CE2 4.21Å; M40-F219 HydrophobicContact CE-CG 4.47Å; M40-F219 HydrophobicContact CE-CZ 3.99Å; M40-F219 HydrophobicContact CG-CD2 4.01Å; M40-F219 HydrophobicContact CG-CE2 3.88Å; M40-F219 HydrophobicContact SD-CE2 4.15Å; M40-F219 HydrophobicContact SD-CZ 4.22Å
41L95.7Very high94.9Very high36 Ų3661.5 Ų61.519%0.18831%0.311CS..Hα-helixtrans-61.3-38172-70.1174.5000111.7N36 T37 Q44 R45N36-L41 WeakPolarHBondContact O-CD1 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.35Å; L41-Q44 PolarHBondContact O-N 3.15Å; L41-R45 WeakPolarHBondContact O-CB 3.49Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.01Å
42S94Very high94.9Very high15 Ų1558.6 Ų58.611%0.10530%0.298CS..Hα-helixtrans-62.4-43.9173.8177.90000111.5E38 L39 M40 R45 G46 Q47 V48E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 2.84Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 2.93Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.2Å; S42-R45 PolarHBondContact O-N 3.34Å; S42-G46 PolarHBondContact O-N 3.25Å; S42-Q47 WeakPolarHBondContact O-CA 3.49Å; S42-Q47 PolarHBondContact O-N 3.27Å; S42-Q47 PolarHBondContact OG-O 3.33Å; S42-Q47 VanDerWaalsContact OG-O 3.13Å; S42-V48 PolarHBondContact O-N 3.36Å; S42-V48 WeakPolarHBondContact OG-CA 3.47Å; S42-V48 PolarHBondContact OG-N 2.71Å
43F93.2Very high94.9Very high2 Ų255.1 Ų55.11%0.00928%0.276CS..Hα-helixtrans-58.6-53.8170.7-89.1-87.5000111.8L39 M40 R45 G46 V48 Y53 L56 L153 I156 A157L39-F43 HydrophobicContact CD1-CE2 4.24Å; L39-F43 HydrophobicContact CG-CD2 4.35Å; L39-F43 HydrophobicContact CG-CE2 4.22Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 2.97Å; M40-F43 HydrophobicContact CE-CD2 3.76Å; M40-F43 HydrophobicContact CE-CE2 3.99Å; M40-F43 WeakPolarHBondContact O-CB 3.42Å; M40-F43 PolarHBondContact O-N 2.82Å; F43-R45 PolarHBondContact O-N 3.23Å; F43-G46 PolarHBondContact O-N 3.04Å; F43-V48 HydrophobicContact CD1-CB 4.05Å; F43-V48 HydrophobicContact CD1-CG1 3.81Å; F43-V48 HydrophobicContact CD1-CG2 4.22Å; F43-V48 HydrophobicContact CD2-CB 4.2Å; F43-V48 HydrophobicContact CD2-CG2 4.04Å; F43-V48 HydrophobicContact CE1-CB 4.2Å; F43-V48 HydrophobicContact CE1-CG1 3.96Å; F43-V48 HydrophobicContact CE1-CG2 3.9Å; F43-V48 HydrophobicContact CE2-CB 4.34Å; F43-V48 HydrophobicContact CE2-CG2 3.68Å; F43-V48 HydrophobicContact CG-CB 4.06Å; F43-V48 HydrophobicContact CG-CG1 4.28Å; F43-V48 HydrophobicContact CG-CG2 4.29Å; F43-V48 HydrophobicContact CZ-CB 4.35Å; F43-V48 HydrophobicContact CZ-CG2 3.62Å; F43-Y53 HydrophobicContact CE1-CD2 4.46Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-L56 HydrophobicContact CE2-CD2 3.8Å; F43-L56 HydrophobicContact CZ-CD2 3.7Å; F43-L153 HydrophobicContact CB-CD2 3.63Å; F43-L153 HydrophobicContact CD1-CB 4.46Å; F43-L153 HydrophobicContact CD1-CD2 4.07Å; F43-L153 HydrophobicContact CG-CD2 4.02Å; F43-I156 WeakPolarHBondContact O-CG2 3.08Å; F43-A157 HydrophobicContact CE1-CB 4.09Å
44Q92.9Very high94.8Very high98 Ų9851.7 Ų51.746%0.45827%0.265SS..Hα-helixtrans-59.2-32.5-176.2-70.9171.7-7.800112.9M40 L41 G46M40-Q44 WeakPolarHBondContact O-CG 3.31Å; M40-Q44 PolarHBondContact O-N 3.27Å; L41-Q44 PolarHBondContact O-N 3.15Å; Q44-G46 VanDerWaalsContact C-N 3.3Å
45R95.9Very high94.9Very high162 Ų16252.4 Ų52.461%0.61127%0.267SS*.THydrogen-bonded Turntrans-81.9-2.9176.1-66.3171.6-168.8162.94.6113.9L41 S42 F43 Q47L41-R45 WeakPolarHBondContact O-CB 3.49Å; L41-R45 VanDerWaalsContact O-CG 3.22Å; L41-R45 WeakPolarHBondContact O-CG 3.4Å; L41-R45 PolarHBondContact O-N 3.01Å; S42-R45 PolarHBondContact O-N 3.34Å; F43-R45 PolarHBondContact O-N 3.23Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.44Å; R45-Q47 HydrophobicContact CB-CG 4Å; R45-Q47 PolarHBondContact O-N 3.25Å
46G95.3Very high95.1Very high33 Ų3349.1 Ų49.134%0.3425%0.252SS..THydrogen-bonded Turntrans67.428.2-174.500000113.4S42 F43 Q44 S160S42-G46 PolarHBondContact O-N 3.25Å; F43-G46 PolarHBondContact O-N 3.04Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; G46-S160 VanDerWaalsContact CA-OG 3.28Å; G46-S160 WeakPolarHBondContact CA-OG 3.24Å; G46-S160 PolarHBondContact O-OG 3.19Å
47Q95.1Very high95.2Very high120 Ų12044.6 Ų44.656%0.56123%0.228SC*.  trans-109.27.6-176.9-67.1178.2-23.300112.5S42 R45 T49S42-Q47 WeakPolarHBondContact O-CA 3.49Å; S42-Q47 PolarHBondContact O-N 3.27Å; S42-Q47 PolarHBondContact OG-O 3.33Å; S42-Q47 VanDerWaalsContact OG-O 3.13Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.44Å; R45-Q47 HydrophobicContact CB-CG 4Å; R45-Q47 PolarHBondContact O-N 3.25Å; Q47-T49 PolarHBondContact O-N 3.27Å
48V94.5Very high95.3Very high5 Ų544.2 Ų44.23%0.0323%0.225CC..  trans-63.5127.8176.860.60000110.1S42 F43 Q52S42-V48 PolarHBondContact O-N 3.36Å; S42-V48 WeakPolarHBondContact OG-CA 3.47Å; S42-V48 PolarHBondContact OG-N 2.71Å; F43-V48 HydrophobicContact CD1-CB 4.05Å; F43-V48 HydrophobicContact CD1-CG1 3.81Å; F43-V48 HydrophobicContact CD1-CG2 4.22Å; F43-V48 HydrophobicContact CD2-CB 4.2Å; F43-V48 HydrophobicContact CD2-CG2 4.04Å; F43-V48 HydrophobicContact CE1-CB 4.2Å; F43-V48 HydrophobicContact CE1-CG1 3.96Å; F43-V48 HydrophobicContact CE1-CG2 3.9Å; F43-V48 HydrophobicContact CE2-CB 4.34Å; F43-V48 HydrophobicContact CE2-CG2 3.68Å; F43-V48 HydrophobicContact CG-CB 4.06Å; F43-V48 HydrophobicContact CG-CG1 4.28Å; F43-V48 HydrophobicContact CG-CG2 4.29Å; F43-V48 HydrophobicContact CZ-CB 4.35Å; F43-V48 HydrophobicContact CZ-CG2 3.62Å; V48-Q52 HydrophobicContact CG2-CB 4.1Å
49T94Very high95.5Very high65 Ų6538.4 Ų38.440%0.39920%0.198SC..  trans-92.6157.6178.965.60000111.4Q47 Q52 Y53Q47-T49 PolarHBondContact O-N 3.27Å; T49-Q52 WeakPolarHBondContact O-CB 3.4Å; T49-Q52 PolarHBondContact O-N 3.3Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.2Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.32Å; T49-Q52 PolarHBondContact OG1-OE1 3.49Å; T49-Y53 PolarHBondContact O-N 3.33Å
50L94.4Very high95.8Very high75 Ų7538.8 Ų38.839%0.39320%0.2SC..Hα-helixtrans-57.9-43.2176-177.764000113.2Q52 Y53 K54 F102 M161L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.23Å; L50-Y53 PolarHBondContact O-N 2.9Å; L50-K54 HydrophobicContact CD1-CD 4.19Å; L50-K54 HydrophobicContact CD1-CG 4.11Å; L50-K54 HydrophobicContact CG-CD 4.01Å; L50-K54 HydrophobicContact CG-CG 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.34Å; L50-K54 VanDerWaalsContact O-CG 3.31Å; L50-K54 WeakPolarHBondContact O-CG 3.42Å; L50-K54 PolarHBondContact O-N 3.18Å; L50-F102 HydrophobicContact CD1-CD1 3.76Å; L50-F102 HydrophobicContact CD1-CE1 3.42Å; L50-F102 VanDerWaalsContact CD1-CE1 3.42Å; L50-F102 HydrophobicContact CD1-CZ 4.14Å; L50-M161 HydrophobicContact CB-SD 4.22Å; L50-M161 HydrophobicContact CD1-SD 3.88Å
51P94.4Very high96Very high75 Ų7538.7 Ų38.749%0.48720%0.199SC..Hα-helixtrans-59.8-40.5173.9-26.136.5000113.8L55 L226P51-L55 WeakPolarHBondContact O-CG 3.08Å; P51-L55 PolarHBondContact O-N 3.2Å; P51-L55 VanDerWaalsContact O-N 3.12Å; P51-L226 HydrophobicContact CB-CD2 4Å
52Q94.9Very high96.1Very high22 Ų2238.4 Ų38.410%0.10320%0.197CC..Hα-helixtrans-59.6-48.6174.8-83.4166.3-42.700111.4L39 V48 T49 L50 L55 L56 L226L39-Q52 HydrophobicContact CD1-CB 3.96Å; L39-Q52 HydrophobicContact CD1-CG 3.99Å; V48-Q52 HydrophobicContact CG2-CB 4.1Å; T49-Q52 WeakPolarHBondContact O-CB 3.4Å; T49-Q52 PolarHBondContact O-N 3.3Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.2Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.32Å; T49-Q52 PolarHBondContact OG1-OE1 3.49Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q52 PolarHBondContact O-N 3.23Å; Q52-L55 PolarHBondContact O-N 3.47Å; Q52-L56 WeakPolarHBondContact O-CB 3.26Å; Q52-L56 PolarHBondContact O-N 3.45Å; Q52-L226 HydrophobicContact CB-CD1 4.18Å; Q52-L226 HydrophobicContact CG-CD1 3.23Å; Q52-L226 HydrophobicContact CG-CD2 4.42Å; Q52-L226 HydrophobicContact CG-CG 4.43Å
53Y96.8Very high96.4Very high1 Ų137.8 Ų37.80%0.00419%0.192CC..Hα-helixtrans-66-41.6-178.1-177.5-123.8000112.6F43 T49 L50 L55 L56 L57 F102 M161 G168 L169 F172F43-Y53 HydrophobicContact CE1-CD2 4.46Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; T49-Y53 PolarHBondContact O-N 3.33Å; L50-Y53 PolarHBondContact O-N 2.9Å; Y53-L55 PolarHBondContact O-N 2.85Å; Y53-L56 HydrophobicContact CD2-CD2 4.46Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.97Å; Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.65Å; Y53-L57 HydrophobicContact CE1-CG 4.25Å; Y53-L57 HydrophobicContact CE2-CD1 4.39Å; Y53-L57 HydrophobicContact CE2-CD2 4.26Å; Y53-L57 HydrophobicContact CE2-CG 4.09Å; Y53-L57 PolarHBondContact O-N 3.41Å; Y53-F102 AromaticContact CD1-CE2 3.91Å; Y53-F102 HydrophobicContact CD1-CE2 3.91Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.55Å; Y53-F102 HydrophobicContact CE1-CE2 3.55Å; Y53-F102 AromaticContact CE1-CZ 3.77Å; Y53-F102 HydrophobicContact CE1-CZ 3.77Å; Y53-M161 HydrophobicContact CD1-CE 3.45Å; Y53-M161 VanDerWaalsContact CD1-CE 3.45Å; Y53-M161 HydrophobicContact CD1-SD 3.81Å; Y53-M161 HydrophobicContact CD2-CE 4.38Å; Y53-M161 HydrophobicContact CE1-CE 3.99Å; Y53-M161 HydrophobicContact CG-CE 3.65Å; Y53-M161 HydrophobicContact CG-SD 3.96Å; Y53-G168 VanDerWaalsContact CE1-O 3.25Å; Y53-G168 WeakPolarHBondContact CE1-O 3.37Å; Y53-G168 PolarHBondContact OH-O 3.4Å; Y53-G168 VanDerWaalsContact OH-O 3.06Å; Y53-L169 HydrophobicContact CE1-CD2 4.33Å; Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.21Å; Y53-F172 AromaticContact CZ-CE2 3.98Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.36Å
54K96.8Very high96.7Very high42 Ų4237.7 Ų37.718%0.18319%0.191CC..Hα-helixtrans-61.1-44.4176.9-74.1-179.659.9160.90112.5L50 L56 L57 C58 F102 Y103L50-K54 HydrophobicContact CD1-CD 4.19Å; L50-K54 HydrophobicContact CD1-CG 4.11Å; L50-K54 HydrophobicContact CG-CD 4.01Å; L50-K54 HydrophobicContact CG-CG 4.34Å; L50-K54 WeakPolarHBondContact O-CB 3.34Å; L50-K54 VanDerWaalsContact O-CG 3.31Å; L50-K54 WeakPolarHBondContact O-CG 3.42Å; L50-K54 PolarHBondContact O-N 3.18Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L57 PolarHBondContact O-N 3.4Å; K54-C58 PolarHBondContact O-N 3.41Å; K54-C58 PolarHBondContact O-SG 2.77Å; K54-C58 VanDerWaalsContact O-SG 3.37Å; K54-F102 HydrophobicContact CD-CB 3.91Å; K54-F102 HydrophobicContact CD-CD1 4.34Å; K54-F102 HydrophobicContact CD-CG 4.22Å; K54-F102 HydrophobicContact CG-CB 3.92Å; K54-F102 HydrophobicContact CG-CD1 4.28Å; K54-F102 HydrophobicContact CG-CD2 4.3Å; K54-F102 HydrophobicContact CG-CG 3.92Å; K54-F102 PolarHBondContact NZ-O 3.1Å; K54-Y103 HydrophobicContact CB-CE2 3.88Å; K54-Y103 WeakPolarHBondContact CB-OH 3.48Å; K54-Y103 HydrophobicContact CD-CE2 4.34Å; K54-Y103 VanDerWaalsContact CE-CE1 3.42Å; K54-Y103 HydrophobicContact CG-CE2 4.17Å
55L97Very high96.9Very high25 Ų2536 Ų3613%0.13118%0.181CC..Hα-helixtrans-67.5-34.8175.9-69.3177.1000112.6P51 Q52 Y53 C58 S59 L222 M225 L226P51-L55 WeakPolarHBondContact O-CG 3.08Å; P51-L55 PolarHBondContact O-N 3.2Å; P51-L55 VanDerWaalsContact O-N 3.12Å; Q52-L55 PolarHBondContact O-N 3.47Å; Y53-L55 PolarHBondContact O-N 2.85Å; L55-C58 PolarHBondContact O-N 3.08Å; L55-S59 PolarHBondContact O-N 2.91Å; L55-S59 VanDerWaalsContact O-N 3.07Å; L55-S59 PolarHBondContact O-OG 2.94Å; L55-L222 HydrophobicContact CB-CD2 3.63Å; L55-L222 WeakPolarHBondContact O-CD2 3.25Å; L55-M225 HydrophobicContact CD2-CE 4.35Å; L55-L226 HydrophobicContact CD1-CD1 4.38Å; L55-L226 HydrophobicContact CD1-CD2 3.66Å; L55-L226 HydrophobicContact CD1-CG 3.76Å
56L97.8Very high97.1Very high11 Ų1128.3 Ų28.36%0.05815%0.152CC..Hα-helixtrans-59.7-49.3171.6176.563.4000110.3L39 F43 Q52 Y53 K54 C58 S59 L60 F219 L222L39-L56 HydrophobicContact CD2-CD1 4.43Å; F43-L56 HydrophobicContact CE2-CD2 3.8Å; F43-L56 HydrophobicContact CZ-CD2 3.7Å; Q52-L56 WeakPolarHBondContact O-CB 3.26Å; Q52-L56 PolarHBondContact O-N 3.45Å; Y53-L56 HydrophobicContact CD2-CD2 4.46Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.97Å; K54-L56 VanDerWaalsContact C-N 3.34Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.34Å; L56-S59 PolarHBondContact O-N 3.03Å; L56-L60 HydrophobicContact CD1-CD1 4.27Å; L56-L60 HydrophobicContact CD1-CD2 4.29Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.18Å; L56-F219 HydrophobicContact CD1-CD1 4.36Å; L56-F219 HydrophobicContact CD1-CE1 3.94Å; L56-L222 HydrophobicContact CB-CD1 4.33Å; L56-L222 HydrophobicContact CD1-CD1 4Å
57L98.4Very high97.3Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-57.6-42.5177-74.1173.9000112.5Y53 K54 S59 L60 Y61 D98 L99 F102 F171Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.65Å; Y53-L57 HydrophobicContact CE1-CG 4.25Å; Y53-L57 HydrophobicContact CE2-CD1 4.39Å; Y53-L57 HydrophobicContact CE2-CD2 4.26Å; Y53-L57 HydrophobicContact CE2-CG 4.09Å; Y53-L57 PolarHBondContact O-N 3.41Å; K54-L57 PolarHBondContact O-N 3.4Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 2.81Å; L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.72Å; L57-D98 HydrophobicContact CD1-CB 3.89Å; L57-D98 HydrophobicContact CD2-CB 4.3Å; L57-L99 HydrophobicContact CB-CD2 3.85Å; L57-L99 HydrophobicContact CB-CG 4.41Å; L57-F102 HydrophobicContact CD1-CD2 3.64Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å; L57-F171 HydrophobicContact CD2-CB 4.44Å
58C98.6Very high97.4Very high1 Ų121.6 Ų21.61%0.00711%0.112CC..Hα-helixtrans-57.5-43.5173.9-69.30000111.9K54 L55 L56 Y61 E62 I111 V113K54-C58 PolarHBondContact O-N 3.41Å; K54-C58 PolarHBondContact O-SG 2.77Å; K54-C58 VanDerWaalsContact O-SG 3.37Å; L55-C58 PolarHBondContact O-N 3.08Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.34Å; C58-Y61 PolarHBondContact O-N 3.41Å; C58-E62 PolarHBondContact O-N 2.92Å; C58-I111 HydrophobicContact CB-CG2 4.15Å; C58-V113 HydrophobicContact CB-CG1 3.96Å; C58-V113 WeakPolarHBondContact O-CG1 3.21Å
59S98.8Very high97.6Very high0 Ų024.9 Ų24.90%013%0.126CC..Hα-helixtrans-70.9-39.8178.7-66.50000112.8L55 L56 L57 Y61 E62 I63 P114 T117L55-S59 PolarHBondContact O-N 2.91Å; L55-S59 VanDerWaalsContact O-N 3.07Å; L55-S59 PolarHBondContact O-OG 2.94Å; L56-S59 PolarHBondContact O-N 3.03Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.22Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; S59-Y61 PolarHBondContact O-N 3.18Å; S59-E62 PolarHBondContact O-N 3.31Å; S59-I63 WeakPolarHBondContact O-CD1 3.21Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 2.86Å; S59-I63 VanDerWaalsContact O-N 3.11Å; S59-P114 WeakPolarHBondContact OG-CD 3.45Å; S59-T117 WeakPolarHBondContact CB-OG1 3.48Å; S59-T117 WeakPolarHBondContact O-CG2 3.44Å; S59-T117 PolarHBondContact OG-OG1 2.95Å
60L98.8Very high97.9Very high8 Ų822 Ų224%0.04211%0.109CC..Hα-helixtrans-61.6-42.4174.6-65.6178.9000110.5L56 L57 E62 I63 Y64 I95 F171L56-L60 HydrophobicContact CD1-CD1 4.27Å; L56-L60 HydrophobicContact CD1-CD2 4.29Å; L56-L60 HydrophobicContact CD1-CG 4.05Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.18Å; L57-L60 PolarHBondContact O-N 2.81Å; L60-E62 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.14Å; L60-Y64 HydrophobicContact CB-CD2 4.23Å; L60-Y64 HydrophobicContact CB-CE2 4.45Å; L60-Y64 HydrophobicContact CD2-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 2.93Å; L60-I95 HydrophobicContact CB-CD1 4.11Å; L60-F171 HydrophobicContact CD1-CD1 4.26Å; L60-F171 HydrophobicContact CD1-CE1 3.89Å; L60-F171 HydrophobicContact CD1-CE2 4.22Å; L60-F171 HydrophobicContact CD1-CZ 3.87Å
61Y98.9Very high98.1Very high16 Ų1618.7 Ų18.76%0.0639%0.091CC..Hα-helixtrans-54.7-50.6176.9176.3-109.3000112.3L57 C58 S59 I63 R65 I92 I95 E96 L99 W107 I111L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.72Å; C58-Y61 PolarHBondContact O-N 3.41Å; S59-Y61 VanDerWaalsContact C-N 3.32Å; S59-Y61 PolarHBondContact O-N 3.18Å; Y61-I63 VanDerWaalsContact C-N 3.34Å; Y61-I63 PolarHBondContact O-N 3.27Å; Y61-R65 WeakPolarHBondContact O-CB 3.28Å; Y61-R65 PolarHBondContact O-N 3.07Å; Y61-I92 HydrophobicContact CE2-CG2 4.23Å; Y61-I95 HydrophobicContact CD2-CG2 4.27Å; Y61-I95 HydrophobicContact CG-CG2 4.45Å; Y61-E96 HydrophobicContact CD2-CG 4.19Å; Y61-E96 HydrophobicContact CE2-CG 3.68Å; Y61-L99 HydrophobicContact CD1-CD1 4.49Å; Y61-L99 HydrophobicContact CD2-CD1 4.29Å; Y61-L99 HydrophobicContact CG-CD1 3.93Å; Y61-W107 HydrophobicContact CD1-CH2 4.42Å; Y61-W107 HydrophobicContact CD1-CZ3 4.02Å; Y61-W107 HydrophobicContact CD2-CH2 4.11Å; Y61-W107 HydrophobicContact CD2-CZ3 4.3Å; Y61-W107 AromaticContact CE1-CH2 3.89Å; Y61-W107 HydrophobicContact CE1-CH2 3.89Å; Y61-W107 AromaticContact CE1-CZ3 3.78Å; Y61-W107 HydrophobicContact CE1-CZ3 3.78Å; Y61-W107 AromaticContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CZ3 4.14Å; Y61-W107 HydrophobicContact CG-CH2 4.49Å; Y61-W107 HydrophobicContact CG-CZ3 4.25Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.87Å; Y61-I111 HydrophobicContact CD1-CD1 3.63Å; Y61-I111 HydrophobicContact CE1-CD1 3.66Å
62E98.8Very high98.3Very high31 Ų3119.1 Ų19.115%0.1459%0.089CC..Hα-helixtrans-62.5-40.5179.2-71.1-63.2142.300112.7C58 S59 L60 R65 A66 I111 V113 T117 S121C58-E62 PolarHBondContact O-N 2.92Å; S59-E62 PolarHBondContact O-N 3.31Å; L60-E62 PolarHBondContact O-N 3.45Å; E62-R65 IonicContact OE1-CZ 3.42Å; E62-R65 IonicContact OE1-NH1 3.23Å; E62-R65 PolarHBondContact OE1-NH1 3.41Å; E62-R65 IonicContact OE1-NH2 3.24Å; E62-R65 PolarHBondContact OE1-NH2 2.84Å; E62-R65 IonicContact OE2-CZ 3.57Å; E62-R65 VanDerWaalsContact OE2-CZ 3.24Å; E62-R65 IonicContact OE2-NH1 2.98Å; E62-R65 PolarHBondContact OE2-NH1 3.14Å; E62-R65 IonicContact OE2-NH2 2.74Å; E62-R65 PolarHBondContact OE2-NH2 3.36Å; E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å; E62-I111 HydrophobicContact CG-CG2 4.44Å; E62-V113 HydrophobicContact CG-CG1 4.02Å; E62-V113 HydrophobicContact CG-CG2 4.43Å; E62-T117 HydrophobicContact CB-CG2 3.75Å; E62-T117 HydrophobicContact CG-CG2 4.47Å; E62-S121 PolarHBondContact O-OG 2.73Å
63I98.9Very high98.5Very high1 Ų126 Ų261%0.00511%0.114CC..Hα-helixtrans-69.7-50.4-179.6-67.5162.5000111.3S59 L60 Y61 R65 A66 L67 T117 Y120 L124 V218S59-I63 WeakPolarHBondContact O-CD1 3.21Å; S59-I63 VanDerWaalsContact O-CG1 3.25Å; S59-I63 WeakPolarHBondContact O-CG1 3.36Å; S59-I63 PolarHBondContact O-N 2.86Å; S59-I63 VanDerWaalsContact O-N 3.11Å; L60-I63 PolarHBondContact O-N 3.14Å; Y61-I63 VanDerWaalsContact C-N 3.34Å; Y61-I63 PolarHBondContact O-N 3.27Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.46Å; I63-A66 PolarHBondContact O-N 3.17Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 PolarHBondContact O-N 3.03Å; I63-T117 HydrophobicContact CD1-CG2 4.22Å; I63-T117 HydrophobicContact CG1-CG2 4.01Å; I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.29Å; I63-Y120 HydrophobicContact CD1-CG 4.46Å; I63-Y120 HydrophobicContact CG1-CD1 3.95Å; I63-Y120 HydrophobicContact CG1-CG 4.27Å; I63-Y120 HydrophobicContact CG2-CD1 4.16Å; I63-Y120 HydrophobicContact CG2-CE1 4.09Å; I63-L124 HydrophobicContact CG2-CD1 4.07Å; I63-L124 WeakPolarHBondContact O-CD1 3.37Å; I63-V218 HydrophobicContact CD1-CG1 4.44Å; I63-V218 HydrophobicContact CD1-CG2 4.17Å
64Y98.9Very high98.6Very high0 Ų026.9 Ų26.90%012%0.119CC..Hα-helixtrans-68.3-32.6178.9-80.6-88.4000111.6L60 L67 E68 R91 I95 R142 Y143 D146 F171L60-Y64 HydrophobicContact CB-CD2 4.23Å; L60-Y64 HydrophobicContact CB-CE2 4.45Å; L60-Y64 HydrophobicContact CD2-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.29Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 2.93Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.31Å; Y64-E68 WeakPolarHBondContact CD1-OE1 3.39Å; Y64-E68 VanDerWaalsContact O-CB 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.38Å; Y64-E68 WeakPolarHBondContact O-CG 3.33Å; Y64-E68 PolarHBondContact O-N 2.82Å; Y64-R91 HydrophobicContact CD1-CB 3.6Å; Y64-R91 HydrophobicContact CD1-CG 3.6Å; Y64-R91 HydrophobicContact CD2-CB 4.48Å; Y64-R91 HydrophobicContact CE1-CB 3.94Å; Y64-R91 HydrophobicContact CE1-CG 3.38Å; Y64-R91 HydrophobicContact CG-CB 3.9Å; Y64-R91 HydrophobicContact CG-CG 4.29Å; Y64-I95 HydrophobicContact CD2-CD1 3.8Å; Y64-I95 HydrophobicContact CG-CD1 4.05Å; Y64-R142 HydrophobicContact CE1-CB 4.33Å; Y64-R142 PolarHBondContact OH-NE 3Å; Y64-R142 PolarHBondContact OH-NH2 3.38Å; Y64-Y143 HydrophobicContact CD1-CE1 4.05Å; Y64-Y143 HydrophobicContact CE1-CD1 4.01Å; Y64-Y143 AromaticContact CE1-CE1 3.59Å; Y64-Y143 HydrophobicContact CE1-CE1 3.59Å; Y64-D146 PolarHBondContact OH-OD1 3.03Å; Y64-D146 PolarHBondContact OH-OD2 3.34Å; Y64-F171 HydrophobicContact CD2-CE2 4.33Å; Y64-F171 AromaticContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CZ 4.12Å; Y64-F171 AromaticContact CZ-CE2 3.91Å
65R98.8Very high98.7Very high64 Ų6426.1 Ų26.124%0.24212%0.119CC..Hα-helixtrans-57.5-52.2171.3-170.417877-137.50.1110.7Y61 E62 I63 E69 I92Y61-R65 WeakPolarHBondContact O-CB 3.28Å; Y61-R65 PolarHBondContact O-N 3.07Å; E62-R65 IonicContact OE1-CZ 3.42Å; E62-R65 IonicContact OE1-NH1 3.23Å; E62-R65 PolarHBondContact OE1-NH1 3.41Å; E62-R65 IonicContact OE1-NH2 3.24Å; E62-R65 PolarHBondContact OE1-NH2 2.84Å; E62-R65 IonicContact OE2-CZ 3.57Å; E62-R65 VanDerWaalsContact OE2-CZ 3.24Å; E62-R65 IonicContact OE2-NH1 2.98Å; E62-R65 PolarHBondContact OE2-NH1 3.14Å; E62-R65 IonicContact OE2-NH2 2.74Å; E62-R65 PolarHBondContact OE2-NH2 3.36Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.46Å; R65-E69 HydrophobicContact CG-CG 4.41Å; R65-E69 VanDerWaalsContact CG-OE1 3.28Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.34Å; R65-E69 WeakPolarHBondContact O-CB 3.35Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.89Å; R65-I92 HydrophobicContact CB-CD1 4.48Å
66A98.9Very high98.7Very high0 Ų032.1 Ų32.10%015%0.151CC..Hα-helixtrans-65-40.1177.800000113.3E62 I63 E70 L124 R125E62-A66 PolarHBondContact O-N 3.42Å; E62-A66 VanDerWaalsContact O-N 3.12Å; I63-A66 PolarHBondContact O-N 3.17Å; A66-E70 WeakPolarHBondContact O-CG 3.48Å; A66-E70 PolarHBondContact O-N 3.2Å; A66-L124 HydrophobicContact CB-CB 4.1Å; A66-L124 HydrophobicContact CB-CD1 4.08Å; A66-R125 HydrophobicContact CB-CG 4.31Å
67L98.9Very high98.8Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-64.3-51.9178.8176.661.2000110.9I63 Y64 E70 M71 L124 H138 R142 Y143I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 PolarHBondContact O-N 3.03Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 3.31Å; L67-E70 PolarHBondContact O-N 3.47Å; L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.48Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 WeakPolarHBondContact O-CB 3.23Å; L67-M71 WeakPolarHBondContact O-CG 3.41Å; L67-M71 PolarHBondContact O-N 3.48Å; L67-L124 HydrophobicContact CB-CD1 4.01Å; L67-L124 HydrophobicContact CD1-CD2 4.02Å; L67-H138 HydrophobicContact CD1-CB 4.16Å; L67-R142 HydrophobicContact CD2-CB 4.32Å; L67-R142 HydrophobicContact CD2-CG 4.34Å; L67-Y143 HydrophobicContact CD2-CE2 4.12Å
68E98.9Very high98.8Very high12 Ų1239.3 Ų39.36%0.05619%0.194CC..Hα-helixtrans-70.7-36-176-69.6170.5-159.800111.6Y64 E70 M71 D72 A90 R91 I92 Y143Y64-E68 WeakPolarHBondContact CD1-OE1 3.39Å; Y64-E68 VanDerWaalsContact O-CB 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.38Å; Y64-E68 WeakPolarHBondContact O-CG 3.33Å; Y64-E68 PolarHBondContact O-N 2.82Å; E68-E70 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 3.25Å; E68-M71 PolarHBondContact O-N 3.26Å; E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 VanDerWaalsContact O-CG 3.25Å; E68-D72 PolarHBondContact O-N 2.93Å; E68-A90 WeakPolarHBondContact OE1-CA 3.24Å; E68-R91 PolarHBondContact OE1-N 3.33Å; E68-R91 PolarHBondContact OE2-N 2.75Å; E68-I92 HydrophobicContact CB-CD1 3.76Å; E68-I92 HydrophobicContact CB-CG1 4.49Å; E68-I92 HydrophobicContact CG-CD1 4.4Å; E68-I92 VanDerWaalsContact OE2-CD1 3.25Å; E68-I92 WeakPolarHBondContact OE2-CD1 3.44Å; E68-I92 WeakPolarHBondContact OE2-CG1 3.47Å; E68-I92 PolarHBondContact OE2-N 3.23Å; E68-Y143 WeakPolarHBondContact CG-OH 3.19Å; E68-Y143 PolarHBondContact OE1-OH 2.98Å
69E98.9Very high98.7Very high73 Ų7339.4 Ų39.434%0.34120%0.195SC..Hα-helixtrans-52.9-45.4169.4-80.9168178.900111.6R65 R73 R125R65-E69 HydrophobicContact CG-CG 4.41Å; R65-E69 VanDerWaalsContact CG-OE1 3.28Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 IonicContact NE-OE1 3.34Å; R65-E69 WeakPolarHBondContact O-CB 3.35Å; R65-E69 WeakPolarHBondContact O-CG 3.23Å; R65-E69 PolarHBondContact O-N 2.89Å; E69-R73 WeakPolarHBondContact O-CB 3.39Å; E69-R73 PolarHBondContact O-N 3.47Å; E69-R125 IonicContact OE2-CZ 3.48Å; E69-R125 IonicContact OE2-NE 3.83Å; E69-R125 PolarHBondContact OE2-NE 2.65Å; E69-R125 IonicContact OE2-NH2 3.96Å; E69-R125 PolarHBondContact OE2-NH2 3.34Å
70E98.9Very high98.7Very high5 Ų539.4 Ų39.42%0.02320%0.195CC..Hα-helixtrans-83.3-28.4-177.4-65.4-55.4135.200113.5A66 L67 E68 R73 N74 R125 G128 L135A66-E70 WeakPolarHBondContact O-CG 3.48Å; A66-E70 PolarHBondContact O-N 3.2Å; L67-E70 PolarHBondContact O-N 3.47Å; E68-E70 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 3.25Å; E70-R73 IonicContact OE1-CZ 3.54Å; E70-R73 IonicContact OE1-NE 3.1Å; E70-R73 PolarHBondContact OE1-NE 2.88Å; E70-R73 VanDerWaalsContact OE1-NE 3.1Å; E70-R73 IonicContact OE1-NH2 3.06Å; E70-R73 PolarHBondContact OE1-NH2 3.03Å; E70-R73 WeakPolarHBondContact OE2-CD 3.44Å; E70-R73 IonicContact OE2-NE 2.96Å; E70-R73 PolarHBondContact OE2-NE 2.85Å; E70-N74 WeakPolarHBondContact O-CB 3.22Å; E70-N74 PolarHBondContact O-N 3.22Å; E70-N74 PolarHBondContact O-ND2 3.31Å; E70-R125 HydrophobicContact CG-CG 4.3Å; E70-G128 WeakPolarHBondContact OE2-CA 3.47Å; E70-L135 HydrophobicContact CB-CD1 4.25Å; E70-L135 HydrophobicContact CB-CD2 3.97Å
71M98.8Very high98.7Very high6 Ų641.2 Ų41.23%0.0321%0.211CC..Hα-helixtrans-64.4-42.4168.6-70-66.7-66.400110.8L67 E68 N74 S75 V80 I83 Y84 L135 A139L67-M71 HydrophobicContact CD1-CG 4.01Å; L67-M71 HydrophobicContact CD1-SD 4.48Å; L67-M71 HydrophobicContact CG-CG 4.26Å; L67-M71 WeakPolarHBondContact O-CB 3.23Å; L67-M71 WeakPolarHBondContact O-CG 3.41Å; L67-M71 PolarHBondContact O-N 3.48Å; E68-M71 PolarHBondContact O-N 3.26Å; M71-N74 CarbonylContact O-C 3.46Å; M71-N74 PolarHBondContact O-N 3.12Å; M71-S75 WeakPolarHBondContact O-CA 3.38Å; M71-S75 PolarHBondContact O-N 3.48Å; M71-V80 HydrophobicContact CE-CG1 3.72Å; M71-V80 HydrophobicContact SD-CG1 3.93Å; M71-I83 HydrophobicContact CE-CD1 4.02Å; M71-I83 HydrophobicContact CE-CG1 4.2Å; M71-Y84 HydrophobicContact CB-CD2 4.3Å; M71-Y84 HydrophobicContact CB-CE2 4.3Å; M71-Y84 HydrophobicContact CE-CD2 4.4Å; M71-L135 HydrophobicContact SD-CB 3.94Å; M71-L135 HydrophobicContact SD-CD1 4.44Å; M71-A139 HydrophobicContact CE-CB 4.28Å; M71-A139 HydrophobicContact SD-CB 4.2Å
72D98.8Very high98.7Very high83 Ų8342 Ų4244%0.44422%0.217SC..Hα-helixtrans-65.7-45.8175.9-73.8-11.5000111.1E68 N74 S75 Y84E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 VanDerWaalsContact O-CG 3.25Å; E68-D72 PolarHBondContact O-N 2.93Å; D72-N74 PolarHBondContact O-N 2.93Å; D72-S75 WeakPolarHBondContact O-CB 3.19Å; D72-S75 PolarHBondContact O-N 3.48Å; D72-S75 PolarHBondContact O-OG 2.93Å; D72-Y84 VanDerWaalsContact OD1-CE2 3.28Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.28Å; D72-Y84 PolarHBondContact OD1-OH 3.32Å
73R98.8Very high98.7Very high166 Ų16640.5 Ų40.563%0.62621%0.211SC*.Hα-helixtrans-56.7-38.7176.5-174.3-168.5-54.9-69.6-5112E69 E70E69-R73 WeakPolarHBondContact O-CB 3.39Å; E69-R73 PolarHBondContact O-N 3.47Å; E70-R73 IonicContact OE1-CZ 3.54Å; E70-R73 IonicContact OE1-NE 3.1Å; E70-R73 PolarHBondContact OE1-NE 2.88Å; E70-R73 VanDerWaalsContact OE1-NE 3.1Å; E70-R73 IonicContact OE1-NH2 3.06Å; E70-R73 PolarHBondContact OE1-NH2 3.03Å; E70-R73 WeakPolarHBondContact OE2-CD 3.44Å; E70-R73 IonicContact OE2-NE 2.96Å; E70-R73 PolarHBondContact OE2-NE 2.85Å
74N98.8Very high98.7Very high20 Ų2043.9 Ų43.911%0.10722%0.224CC..THydrogen-bonded Turntrans-104.119.5-174.5-65.5-76.6000113E70 M71 D72 N76 H77 V80 G128 P132 L135E70-N74 WeakPolarHBondContact O-CB 3.22Å; E70-N74 PolarHBondContact O-N 3.22Å; E70-N74 PolarHBondContact O-ND2 3.31Å; M71-N74 CarbonylContact O-C 3.46Å; M71-N74 PolarHBondContact O-N 3.12Å; D72-N74 PolarHBondContact O-N 2.93Å; N74-N76 PolarHBondContact O-N 3.39Å; N74-H77 HydrophobicContact CB-CB 4.11Å; N74-H77 VanDerWaalsContact O-CB 3.23Å; N74-H77 WeakPolarHBondContact O-CB 3.41Å; N74-H77 PolarHBondContact O-N 2.86Å; N74-V80 HydrophobicContact CB-CB 4.46Å; N74-V80 HydrophobicContact CB-CG1 4.45Å; N74-V80 HydrophobicContact CB-CG2 4.1Å; N74-V80 WeakPolarHBondContact O-CB 3.41Å; N74-V80 WeakPolarHBondContact O-CG1 3.32Å; N74-G128 PolarHBondContact ND2-O 2.86Å; N74-G128 PolarHBondContact OD1-O 3.49Å; N74-P132 HydrophobicContact CB-CB 4.14Å; N74-P132 WeakPolarHBondContact OD1-CB 3.21Å; N74-P132 WeakPolarHBondContact OD1-CG 3.42Å; N74-L135 HydrophobicContact CB-CD1 4.05Å
75S98.7Very high98.7Very high27 Ų2745.6 Ų45.619%0.18923%0.231CC..THydrogen-bonded Turntrans-58.5-24.9-173.7710000114M71 D72 A81M71-S75 WeakPolarHBondContact O-CA 3.38Å; M71-S75 PolarHBondContact O-N 3.48Å; D72-S75 WeakPolarHBondContact O-CB 3.19Å; D72-S75 PolarHBondContact O-N 3.48Å; D72-S75 PolarHBondContact O-OG 2.93Å; S75-A81 WeakPolarHBondContact O-CA 3.25Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.46Å
76N98.5Very high98.7Very high150 Ų15045.1 Ų45.180%0.80224%0.237SC*.THydrogen-bonded Turntrans-97.3-2.7178.1-63-35.5000113.5N74N74-N76 PolarHBondContact O-N 3.39Å
77H98.6Very high98.6Very high59 Ų5949.2 Ų49.227%0.27327%0.271SS..SBendtrans-67.5134.9178-172.1-90000109.7N74 A79 V80 A81 P132N74-H77 HydrophobicContact CB-CB 4.11Å; N74-H77 VanDerWaalsContact O-CB 3.23Å; N74-H77 WeakPolarHBondContact O-CB 3.41Å; N74-H77 PolarHBondContact O-N 2.86Å; H77-A79 PolarHBondContact ND1-N 2.95Å; H77-A79 PolarHBondContact O-N 3.41Å; H77-A79 VanDerWaalsContact O-N 3.07Å; H77-V80 HydrophobicContact CB-CB 4.19Å; H77-V80 HydrophobicContact CB-CG2 4.14Å; H77-V80 PolarHBondContact O-N 3.14Å; H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.42Å; H77-P132 HydrophobicContact CB-CB 4.46Å
78P98.4Very high98.6Very high104 Ų10451.8 Ų51.868%0.67528%0.282SS*.THydrogen-bonded Turntrans-54.6-33.7-174.1-2935.7000114.8P82P78-P82 WeakPolarHBondContact O-CD 3.25Å; P78-P82 WeakPolarHBondContact O-CG 3.32Å
79A97.9Very high98.6Very high3 Ų351.3 Ų51.33%0.02528%0.28CS..THydrogen-bonded Turntrans-79.6-23.2177.500000114.8H77 E133 V136 V194 L196H77-A79 PolarHBondContact ND1-N 2.95Å; H77-A79 PolarHBondContact O-N 3.41Å; H77-A79 VanDerWaalsContact O-N 3.07Å; A79-E133 HydrophobicContact CB-CB 3.65Å; A79-V136 HydrophobicContact CB-CG2 4.48Å; A79-V136 VanDerWaalsContact O-CG2 3.24Å; A79-V136 WeakPolarHBondContact O-CG2 3.39Å; A79-V194 HydrophobicContact CB-CG1 3.69Å; A79-L196 HydrophobicContact CB-CD2 4.34Å
80V98.8Very high98.6Very high0 Ų049.6 Ų49.60%028%0.279CS..THydrogen-bonded Turntrans-98.8-40.2-174.3178.50000111.1M71 N74 H77 P82 I83 Y84 P132 L135M71-V80 HydrophobicContact CE-CG1 3.72Å; M71-V80 HydrophobicContact SD-CG1 3.93Å; N74-V80 HydrophobicContact CB-CB 4.46Å; N74-V80 HydrophobicContact CB-CG1 4.45Å; N74-V80 HydrophobicContact CB-CG2 4.1Å; N74-V80 WeakPolarHBondContact O-CB 3.41Å; N74-V80 WeakPolarHBondContact O-CG1 3.32Å; H77-V80 HydrophobicContact CB-CB 4.19Å; H77-V80 HydrophobicContact CB-CG2 4.14Å; H77-V80 PolarHBondContact O-N 3.14Å; V80-P82 VanDerWaalsContact C-N 3.31Å; V80-P82 VanDerWaalsContact O-N 3.17Å; V80-I83 WeakPolarHBondContact O-CG1 3.32Å; V80-I83 PolarHBondContact O-N 3.11Å; V80-Y84 PolarHBondContact O-N 3.14Å; V80-P132 HydrophobicContact CG2-CB 4.49Å; V80-P132 WeakPolarHBondContact CG2-O 3.28Å; V80-L135 HydrophobicContact CG2-CB 4.33Å; V80-L135 HydrophobicContact CG2-CD1 4.11Å
81A98.8Very high98.6Very high46 Ų4649.7 Ų49.738%0.3828%0.279SS..G310 helixtrans-50.6-41.1-177.400000114S75 H77 I83 Y84S75-A81 WeakPolarHBondContact O-CA 3.25Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.46Å; H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.42Å; A81-I83 PolarHBondContact O-N 3.03Å; A81-Y84 PolarHBondContact O-N 3.48Å
82P98.6Very high98.5Very high31 Ų3151 Ų5120%0.20129%0.286CS..G310 helixtrans-64.3-27.4179.6-25.137.3000114.1P78 V80 F85 R190 V194P78-P82 WeakPolarHBondContact O-CD 3.25Å; P78-P82 WeakPolarHBondContact O-CG 3.32Å; V80-P82 VanDerWaalsContact C-N 3.31Å; V80-P82 VanDerWaalsContact O-N 3.17Å; P82-F85 WeakPolarHBondContact O-CE2 3.49Å; P82-R190 HydrophobicContact CB-CB 4.49Å; P82-R190 VanDerWaalsContact O-CB 3.26Å; P82-R190 WeakPolarHBondContact O-CB 3.41Å; P82-V194 HydrophobicContact CB-CG2 4.23Å; P82-V194 HydrophobicContact CG-CG2 4.07Å
83I98.5Very high98.5Very high1 Ų155.6 Ų55.61%0.00530%0.302CS..G310 helixtrans-106.47.3-17662.7155.2000113.3M71 V80 A81 F85 V136 A139 Y187 R190 M191M71-I83 HydrophobicContact CE-CD1 4.02Å; M71-I83 HydrophobicContact CE-CG1 4.2Å; V80-I83 WeakPolarHBondContact O-CG1 3.32Å; V80-I83 PolarHBondContact O-N 3.11Å; A81-I83 PolarHBondContact O-N 3.03Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å; I83-F85 PolarHBondContact O-N 3.23Å; I83-V136 HydrophobicContact CD1-CB 4.11Å; I83-V136 HydrophobicContact CD1-CG1 4.26Å; I83-V136 HydrophobicContact CD1-CG2 3.77Å; I83-V136 HydrophobicContact CG1-CG2 4.49Å; I83-A139 HydrophobicContact CD1-CB 4.04Å; I83-Y187 HydrophobicContact CB-CE1 4.43Å; I83-Y187 HydrophobicContact CB-CE2 4.09Å; I83-Y187 WeakPolarHBondContact CD1-OH 3.39Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; I83-R190 HydrophobicContact CG2-CB 4.42Å; I83-M191 HydrophobicContact CG2-CB 4.01Å
84Y98.8Very high98.5Very high72 Ų7248.9 Ų48.928%0.28228%0.28SS..  trans-83.295.6-176.9-175.1-113.7000111.4M71 D72 V80 A81 P86M71-Y84 HydrophobicContact CB-CD2 4.3Å; M71-Y84 HydrophobicContact CB-CE2 4.3Å; M71-Y84 HydrophobicContact CE-CD2 4.4Å; D72-Y84 VanDerWaalsContact OD1-CE2 3.28Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.28Å; D72-Y84 PolarHBondContact OD1-OH 3.32Å; V80-Y84 PolarHBondContact O-N 3.14Å; A81-Y84 PolarHBondContact O-N 3.48Å; Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 HydrophobicContact CD1-CG 4.24Å; Y84-P86 HydrophobicContact CE1-CG 3.67Å; Y84-P86 HydrophobicContact CE2-CB 4.35Å; Y84-P86 HydrophobicContact CE2-CG 4.24Å; Y84-P86 WeakPolarHBondContact O-CD 3.34Å
85F98.6Very high98.5Very high35 Ų3548 Ų4815%0.15428%0.275CS..  trans-121.564.5-178.3-65.2-78.2000112.2P82 I83 A87 E88 L89 F183 Y187 R190P82-F85 WeakPolarHBondContact O-CE2 3.49Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å; I83-F85 PolarHBondContact O-N 3.23Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.4Å; F85-E88 HydrophobicContact CB-CB 4.41Å; F85-E88 WeakPolarHBondContact CB-OE2 3.48Å; F85-E88 PolarHBondContact O-N 2.95Å; F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.1Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.43Å; F85-F183 HydrophobicContact CB-CZ 3.93Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.13Å; F85-F183 HydrophobicContact CD2-CZ 4.26Å; F85-F183 AromaticContact CG-CZ 3.85Å; F85-F183 HydrophobicContact CG-CZ 3.85Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.16Å; F85-Y187 HydrophobicContact CE2-CD2 4.23Å; F85-R190 HydrophobicContact CE2-CG 4.25Å; F85-R190 HydrophobicContact CZ-CG 3.98Å
86P98.3Very high98.5Very high55 Ų5548.8 Ų48.836%0.35728%0.276SS..Hα-helixtrans-65.5-33.8-173.227.2-36.5000113Y84 E88 A90Y84-P86 VanDerWaalsContact C-CD 3.44Å; Y84-P86 HydrophobicContact CD1-CG 4.24Å; Y84-P86 HydrophobicContact CE1-CG 3.67Å; Y84-P86 HydrophobicContact CE2-CB 4.35Å; Y84-P86 HydrophobicContact CE2-CG 4.24Å; Y84-P86 WeakPolarHBondContact O-CD 3.34Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.43Å; P86-A90 WeakPolarHBondContact O-CB 3.1Å; P86-A90 PolarHBondContact O-N 2.86Å; P86-A90 VanDerWaalsContact O-N 3.13Å
87A98.1Very high98.5Very high86 Ų8647.8 Ų47.871%0.71127%0.265SS*.Hα-helixtrans-67.2-33.3-179.200000112.3F85F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 3.4Å
88E98.6Very high98.4Very high53 Ų5345 Ų4525%0.24825%0.252CS..Hα-helixtrans-92.1-39.6-176.8-59.791.8157.300112.3F85 P86 R91 F174 G176 V177 F183F85-E88 HydrophobicContact CB-CB 4.41Å; F85-E88 WeakPolarHBondContact CB-OE2 3.48Å; F85-E88 PolarHBondContact O-N 2.95Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.43Å; E88-R91 PolarHBondContact O-NH2 3.25Å; E88-R91 VanDerWaalsContact O-NH2 3.08Å; E88-F174 WeakPolarHBondContact O-CD1 3.4Å; E88-G176 WeakPolarHBondContact CG-O 3.39Å; E88-V177 HydrophobicContact CB-CG2 3.85Å; E88-F183 HydrophobicContact CB-CE2 3.7Å; E88-F183 HydrophobicContact CB-CZ 3.65Å; E88-F183 HydrophobicContact CG-CE2 3.67Å; E88-F183 HydrophobicContact CG-CZ 4.09Å
89L98.6Very high98.5Very high3 Ų340.1 Ų40.12%0.01622%0.22CC..Hα-helixtrans-109.4-20.5-166.5-63.9-177.8000115.5F85 R91 Y143 L147 F174 F183 Y187F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.1Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.43Å; L89-R91 WeakPolarHBondContact O-CG 3.27Å; L89-R91 PolarHBondContact O-N 3.22Å; L89-R91 PolarHBondContact O-NE 2.82Å; L89-R91 PolarHBondContact O-NH2 2.92Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.45Å; L89-Y143 HydrophobicContact CB-CE1 3.93Å; L89-Y143 HydrophobicContact CB-CG 4.14Å; L89-Y143 HydrophobicContact CD1-CD1 4.42Å; L89-Y143 HydrophobicContact CD1-CD2 3.87Å; L89-Y143 HydrophobicContact CD1-CE2 4.46Å; L89-Y143 HydrophobicContact CD1-CG 3.85Å; L89-Y143 HydrophobicContact CD2-CD1 4.47Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.39Å; L89-Y143 VanDerWaalsContact O-CE1 3.23Å; L89-Y143 WeakPolarHBondContact O-CE1 3.49Å; L89-L147 HydrophobicContact CD2-CD1 3.85Å; L89-F174 HydrophobicContact CD2-CD1 4.3Å; L89-F174 HydrophobicContact CD2-CE1 4.12Å; L89-F183 HydrophobicContact CD1-CE1 3.93Å; L89-F183 HydrophobicContact CD1-CZ 4.37Å; L89-F183 HydrophobicContact CD2-CD1 4.29Å; L89-F183 HydrophobicContact CD2-CE1 3.62Å; L89-F183 HydrophobicContact CD2-CZ 4.26Å; L89-F183 HydrophobicContact CG-CE1 3.81Å; L89-F183 HydrophobicContact CG-CZ 4.08Å; L89-Y187 HydrophobicContact CD1-CD2 3.82Å; L89-Y187 HydrophobicContact CD1-CE2 3.51Å
90A98.4Very high98.5Very high37 Ų3744.8 Ų44.831%0.30624%0.241SC..  trans-58.6134-177.200000111.3E68 P86E68-A90 WeakPolarHBondContact OE1-CA 3.24Å; P86-A90 WeakPolarHBondContact O-CB 3.1Å; P86-A90 PolarHBondContact O-N 2.86Å; P86-A90 VanDerWaalsContact O-N 3.13Å
91R98.7Very high98.4Very high6 Ų649.8 Ų49.82%0.02326%0.261CS..  trans-112.4-21.7-172.4-62.7-58.484.5-178.53113Y64 E68 E88 L89 K93 S94 I95 Y143 F171 A173 F174Y64-R91 HydrophobicContact CD1-CB 3.6Å; Y64-R91 HydrophobicContact CD1-CG 3.6Å; Y64-R91 HydrophobicContact CD2-CB 4.48Å; Y64-R91 HydrophobicContact CE1-CB 3.94Å; Y64-R91 HydrophobicContact CE1-CG 3.38Å; Y64-R91 HydrophobicContact CG-CB 3.9Å; Y64-R91 HydrophobicContact CG-CG 4.29Å; E68-R91 PolarHBondContact OE1-N 3.33Å; E68-R91 PolarHBondContact OE2-N 2.75Å; E88-R91 PolarHBondContact O-NH2 3.25Å; E88-R91 VanDerWaalsContact O-NH2 3.08Å; L89-R91 WeakPolarHBondContact O-CG 3.27Å; L89-R91 PolarHBondContact O-N 3.22Å; L89-R91 PolarHBondContact O-NE 2.82Å; L89-R91 PolarHBondContact O-NH2 2.92Å; R91-K93 PolarHBondContact O-N 3.44Å; R91-S94 WeakPolarHBondContact O-CB 3.49Å; R91-S94 PolarHBondContact O-N 2.49Å; R91-I95 HydrophobicContact CB-CD1 3.88Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.41Å; R91-I95 PolarHBondContact O-N 2.97Å; R91-Y143 HydrophobicContact CG-CE1 4.33Å; R91-F171 HydrophobicContact CB-CD2 4.16Å; R91-F171 HydrophobicContact CB-CE2 4.15Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.85Å; R91-F171 PolarHBondContact NH1-O 3.06Å; R91-A173 PolarHBondContact NH1-O 3.06Å; R91-F174 VanDerWaalsContact NH1-CG 3.32Å
92I98.3Very high98.3Very high35 Ų3548.9 Ų48.918%0.17925%0.249CC..Hα-helixtrans-48.8-56.2-173-71.9165.3000111.1Y61 R65 E68 S94 I95 E96Y61-I92 HydrophobicContact CE2-CG2 4.23Å; R65-I92 HydrophobicContact CB-CD1 4.48Å; E68-I92 HydrophobicContact CB-CD1 3.76Å; E68-I92 HydrophobicContact CB-CG1 4.49Å; E68-I92 HydrophobicContact CG-CD1 4.4Å; E68-I92 VanDerWaalsContact OE2-CD1 3.25Å; E68-I92 WeakPolarHBondContact OE2-CD1 3.44Å; E68-I92 WeakPolarHBondContact OE2-CG1 3.47Å; E68-I92 PolarHBondContact OE2-N 3.23Å; I92-S94 VanDerWaalsContact C-N 3.27Å; I92-S94 PolarHBondContact O-N 2.79Å; I92-I95 PolarHBondContact O-N 3.1Å; I92-E96 HydrophobicContact CG2-CG 4.08Å; I92-E96 WeakPolarHBondContact O-CG 3.44Å; I92-E96 PolarHBondContact O-N 2.93Å
93K98.1Very high98.2Very high178 Ų17849.4 Ų49.477%0.77425%0.247SC*.Hα-helixtrans-58.1-38.2-177.4-67.2-176.9178.9176.60113.2R91 K97R91-K93 PolarHBondContact O-N 3.44Å; K93-K97 PolarHBondContact O-N 3.32Å; K93-K97 VanDerWaalsContact O-N 3.14Å
94S98.3Very high98.2Very high26 Ų2650.5 Ų50.518%0.18226%0.259CS..Hα-helixtrans-67.8-41.8176.7-68.70000111.7R91 I92 K97 D98 S170R91-S94 WeakPolarHBondContact O-CB 3.49Å; R91-S94 PolarHBondContact O-N 2.49Å; I92-S94 VanDerWaalsContact C-N 3.27Å; I92-S94 PolarHBondContact O-N 2.79Å; S94-K97 PolarHBondContact O-N 2.96Å; S94-D98 PolarHBondContact O-N 3.19Å; S94-D98 VanDerWaalsContact O-N 3.11Å; S94-S170 WeakPolarHBondContact CB-O 3.4Å; S94-S170 WeakPolarHBondContact O-CB 3.44Å; S94-S170 PolarHBondContact OG-O 2.83Å
95I98.6Very high98.1Very high0 Ų051.5 Ų51.50%027%0.274CS..Hα-helixtrans-67.9-40.5177.7-60.4165.7000110.7L60 Y61 Y64 R91 I92 K97 D98 L99 F171L60-I95 HydrophobicContact CB-CD1 4.11Å; Y61-I95 HydrophobicContact CD2-CG2 4.27Å; Y61-I95 HydrophobicContact CG-CG2 4.45Å; Y64-I95 HydrophobicContact CD2-CD1 3.8Å; Y64-I95 HydrophobicContact CG-CD1 4.05Å; R91-I95 HydrophobicContact CB-CD1 3.88Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.41Å; R91-I95 PolarHBondContact O-N 2.97Å; I92-I95 PolarHBondContact O-N 3.1Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.24Å; I95-D98 PolarHBondContact O-N 3.06Å; I95-D98 VanDerWaalsContact O-N 3.17Å; I95-L99 HydrophobicContact CG2-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CG 4.19Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.48Å; I95-F171 HydrophobicContact CD1-CD2 3.8Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.23Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.34Å; I95-F171 HydrophobicContact CG1-CG 4.24Å
96E98.6Very high98Very high45 Ų4554 Ų5421%0.2129%0.289CS..Hα-helixtrans-58.2-43.9175.5-68.7-171139.100111.4Y61 I92 D98 L99 E100 W107 R108Y61-E96 HydrophobicContact CD2-CG 4.19Å; Y61-E96 HydrophobicContact CE2-CG 3.68Å; I92-E96 HydrophobicContact CG2-CG 4.08Å; I92-E96 WeakPolarHBondContact O-CG 3.44Å; I92-E96 PolarHBondContact O-N 2.93Å; E96-D98 VanDerWaalsContact C-N 3.35Å; E96-D98 PolarHBondContact O-N 3.12Å; E96-L99 PolarHBondContact O-N 3.35Å; E96-E100 WeakPolarHBondContact O-CB 3.29Å; E96-E100 PolarHBondContact O-N 2.97Å; E96-W107 HydrophobicContact CB-CH2 4.31Å; E96-W107 HydrophobicContact CB-CZ2 3.83Å; E96-W107 HydrophobicContact CG-CH2 3.72Å; E96-W107 HydrophobicContact CG-CZ2 3.63Å; E96-R108 IonicContact OE1-CZ 3.9Å; E96-R108 IonicContact OE1-NH2 3.87Å; E96-R108 PolarHBondContact OE1-NH2 3.32Å; E96-R108 IonicContact OE2-NH2 2.82Å
97K98.1Very high98Very high129 Ų12951.6 Ų51.656%0.56127%0.272SS*.Hα-helixtrans-61.3-41.8175.2-177.2177.3173.7-166.20112.4K93 S94 I95 Y101 S170K93-K97 PolarHBondContact O-N 3.32Å; K93-K97 VanDerWaalsContact O-N 3.14Å; S94-K97 PolarHBondContact O-N 2.96Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.24Å; K97-Y101 WeakPolarHBondContact O-CB 3.37Å; K97-Y101 PolarHBondContact O-N 3.17Å; K97-S170 WeakPolarHBondContact CD-OG 3.37Å
98D98.4Very high97.9Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-69.3-39.2178-66.8-19.6000111.6L57 S94 I95 E96 Y101 F102 G168 L169 S170 F171L57-D98 HydrophobicContact CD1-CB 3.89Å; L57-D98 HydrophobicContact CD2-CB 4.3Å; S94-D98 PolarHBondContact O-N 3.19Å; S94-D98 VanDerWaalsContact O-N 3.11Å; I95-D98 PolarHBondContact O-N 3.06Å; I95-D98 VanDerWaalsContact O-N 3.17Å; E96-D98 VanDerWaalsContact C-N 3.35Å; E96-D98 PolarHBondContact O-N 3.12Å; D98-Y101 WeakPolarHBondContact O-CB 3.37Å; D98-Y101 PolarHBondContact O-N 2.94Å; D98-F102 WeakPolarHBondContact O-CD2 3.12Å; D98-F102 PolarHBondContact O-N 3.27Å; D98-F102 VanDerWaalsContact O-N 3.11Å; D98-G168 VanDerWaalsContact CG-C 3.49Å; D98-G168 WeakPolarHBondContact OD1-CA 3.36Å; D98-L169 PolarHBondContact OD1-N 3.34Å; D98-L169 VanDerWaalsContact OD1-N 3.08Å; D98-S170 WeakPolarHBondContact OD1-CA 3.35Å; D98-S170 WeakPolarHBondContact OD1-CB 3.45Å; D98-S170 PolarHBondContact OD1-N 3.25Å; D98-S170 PolarHBondContact OD1-OG 3.07Å; D98-S170 PolarHBondContact OD2-N 3.49Å; D98-F171 PolarHBondContact OD2-N 3.39Å
99L98.5Very high97.9Very high1 Ų159.5 Ų59.51%0.00529%0.289CS..Hα-helixtrans-64.8-44.7175.7-74.1172.9000111.7L57 Y61 I95 E96 Y101 F102 Y103 W107L57-L99 HydrophobicContact CB-CD2 3.85Å; L57-L99 HydrophobicContact CB-CG 4.41Å; Y61-L99 HydrophobicContact CD1-CD1 4.49Å; Y61-L99 HydrophobicContact CD2-CD1 4.29Å; Y61-L99 HydrophobicContact CG-CD1 3.93Å; I95-L99 HydrophobicContact CG2-CD1 3.89Å; I95-L99 HydrophobicContact CG2-CG 4.19Å; I95-L99 WeakPolarHBondContact O-CB 3.5Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 3.48Å; E96-L99 PolarHBondContact O-N 3.35Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.75Å; L99-F102 PolarHBondContact O-N 3.07Å; L99-Y103 HydrophobicContact CD2-CD2 3.98Å; L99-Y103 HydrophobicContact CD2-CE2 3.92Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.19Å; L99-W107 HydrophobicContact CB-CB 4.25Å; L99-W107 HydrophobicContact CB-CD2 3.73Å; L99-W107 HydrophobicContact CB-CE3 3.66Å; L99-W107 HydrophobicContact CB-CG 4.02Å; L99-W107 HydrophobicContact CB-CZ3 4.23Å; L99-W107 HydrophobicContact CD1-CD2 4.39Å; L99-W107 HydrophobicContact CD1-CE3 3.5Å; L99-W107 HydrophobicContact CD1-CH2 4.15Å; L99-W107 HydrophobicContact CD1-CZ3 3.35Å; L99-W107 HydrophobicContact CG-CE3 4.15Å; L99-W107 HydrophobicContact CG-CZ3 4.41Å
100E98.1Very high97.7Very high101 Ų10163.7 Ų63.747%0.47231%0.307SS..Hα-helixtrans-60.2-41.6174.9-174.3171.4-167.500111.6E96 F102 G104E96-E100 WeakPolarHBondContact O-CB 3.29Å; E96-E100 PolarHBondContact O-N 2.97Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.88Å; E100-G104 WeakPolarHBondContact O-CA 3.39Å; E100-G104 PolarHBondContact O-N 3.01Å
101Y97.4Very high97.6Very high105 Ų10563.7 Ų63.741%0.41230%0.302SS..Hα-helixtrans-58.2-42.9174.5173.8-99.1000112.6K97 D98 L99 L163 E167K97-Y101 WeakPolarHBondContact O-CB 3.37Å; K97-Y101 PolarHBondContact O-N 3.17Å; D98-Y101 WeakPolarHBondContact O-CB 3.37Å; D98-Y101 PolarHBondContact O-N 2.94Å; L99-Y101 VanDerWaalsContact C-N 3.31Å; L99-Y101 PolarHBondContact O-N 2.75Å; Y101-L163 HydrophobicContact CE1-CD2 4.28Å; Y101-E167 HydrophobicContact CD2-CB 4.19Å; Y101-E167 HydrophobicContact CE1-CB 4.48Å; Y101-E167 HydrophobicContact CE2-CB 3.69Å; Y101-E167 HydrophobicContact CE2-CG 4.23Å
102F97.1Very high97.4Very high28 Ų2867.3 Ų67.312%0.12332%0.324CS..Hα-helixtrans-88.2-22.8-175.6-70.8-58.8000115.6L50 Y53 K54 L57 D98 L99 E100 L163 G168L50-F102 HydrophobicContact CD1-CD1 3.76Å; L50-F102 HydrophobicContact CD1-CE1 3.42Å; L50-F102 VanDerWaalsContact CD1-CE1 3.42Å; L50-F102 HydrophobicContact CD1-CZ 4.14Å; Y53-F102 AromaticContact CD1-CE2 3.91Å; Y53-F102 HydrophobicContact CD1-CE2 3.91Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.55Å; Y53-F102 HydrophobicContact CE1-CE2 3.55Å; Y53-F102 AromaticContact CE1-CZ 3.77Å; Y53-F102 HydrophobicContact CE1-CZ 3.77Å; K54-F102 HydrophobicContact CD-CB 3.91Å; K54-F102 HydrophobicContact CD-CD1 4.34Å; K54-F102 HydrophobicContact CD-CG 4.22Å; K54-F102 HydrophobicContact CG-CB 3.92Å; K54-F102 HydrophobicContact CG-CD1 4.28Å; K54-F102 HydrophobicContact CG-CD2 4.3Å; K54-F102 HydrophobicContact CG-CG 3.92Å; K54-F102 PolarHBondContact NZ-O 3.1Å; L57-F102 HydrophobicContact CD1-CD2 3.64Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å; D98-F102 WeakPolarHBondContact O-CD2 3.12Å; D98-F102 PolarHBondContact O-N 3.27Å; D98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 PolarHBondContact O-N 3.07Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.88Å; F102-L163 HydrophobicContact CE1-CD2 4.06Å; F102-L163 HydrophobicContact CZ-CD1 4.08Å; F102-L163 HydrophobicContact CZ-CD2 4.23Å; F102-G168 WeakPolarHBondContact CE2-O 3.38Å
103Y97.1Very high97.4Very high41 Ų4166.9 Ų66.916%0.16132%0.323CS..Hα-helixtrans-123.6-7.9-171.5-72.5-85000113.7K54 L99 W107 K110K54-Y103 HydrophobicContact CB-CE2 3.88Å; K54-Y103 WeakPolarHBondContact CB-OH 3.48Å; K54-Y103 HydrophobicContact CD-CE2 4.34Å; K54-Y103 VanDerWaalsContact CE-CE1 3.42Å; K54-Y103 HydrophobicContact CG-CE2 4.17Å; L99-Y103 HydrophobicContact CD2-CD2 3.98Å; L99-Y103 HydrophobicContact CD2-CE2 3.92Å; L99-Y103 WeakPolarHBondContact O-CB 3.49Å; L99-Y103 PolarHBondContact O-N 3.19Å; Y103-W107 HydrophobicContact CG-CB 4.45Å; Y103-K110 HydrophobicContact CD1-CB 3.75Å; Y103-K110 HydrophobicContact CD1-CD 3.95Å; Y103-K110 HydrophobicContact CD1-CG 4.47Å; Y103-K110 HydrophobicContact CE1-CB 4.15Å; Y103-K110 HydrophobicContact CG-CB 4.45Å; Y103-K110 PolarHBondContact O-NZ 2.99Å
104G97.7Very high97.4Very high25 Ų2558.9 Ų58.926%0.25829%0.289SS..  trans81-175.1-175.600000113.1E100 D106 W107E100-G104 WeakPolarHBondContact O-CA 3.39Å; E100-G104 PolarHBondContact O-N 3.01Å; G104-D106 PolarHBondContact O-N 3.48Å; G104-W107 VanDerWaalsContact O-CB 3.31Å; G104-W107 WeakPolarHBondContact O-CB 3.2Å; G104-W107 PolarHBondContact O-N 3.02Å; G104-W107 VanDerWaalsContact O-N 3.1Å
105P96.6Very high97.4Very high93 Ų9362.5 Ų62.560%0.60431%0.31SS*.THydrogen-bonded Turntrans-59.3-32.9-175.222.9-33.8000113.3W107P105-W107 PolarHBondContact O-N 3.33Å
106D96.8Very high97.3Very high86 Ų8663.1 Ų63.146%0.4632%0.315SS..THydrogen-bonded Turntrans-85.925.4179.6-42.8-48.6000112.9G104 R108 E109G104-D106 PolarHBondContact O-N 3.48Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.14Å; D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 VanDerWaalsContact O-N 3.15Å
107W97.9Very high97.4Very high5 Ų561 Ų612%0.01931%0.305CS..G310 helixtrans-57.6-30.1-176.464.1-94.5000113.1Y61 E96 L99 Y103 G104 P105 E109 K110 I111Y61-W107 HydrophobicContact CD1-CH2 4.42Å; Y61-W107 HydrophobicContact CD1-CZ3 4.02Å; Y61-W107 HydrophobicContact CD2-CH2 4.11Å; Y61-W107 HydrophobicContact CD2-CZ3 4.3Å; Y61-W107 AromaticContact CE1-CH2 3.89Å; Y61-W107 HydrophobicContact CE1-CH2 3.89Å; Y61-W107 AromaticContact CE1-CZ3 3.78Å; Y61-W107 HydrophobicContact CE1-CZ3 3.78Å; Y61-W107 AromaticContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CH2 3.6Å; Y61-W107 HydrophobicContact CE2-CZ3 4.14Å; Y61-W107 HydrophobicContact CG-CH2 4.49Å; Y61-W107 HydrophobicContact CG-CZ3 4.25Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.87Å; E96-W107 HydrophobicContact CB-CH2 4.31Å; E96-W107 HydrophobicContact CB-CZ2 3.83Å; E96-W107 HydrophobicContact CG-CH2 3.72Å; E96-W107 HydrophobicContact CG-CZ2 3.63Å; L99-W107 HydrophobicContact CB-CB 4.25Å; L99-W107 HydrophobicContact CB-CD2 3.73Å; L99-W107 HydrophobicContact CB-CE3 3.66Å; L99-W107 HydrophobicContact CB-CG 4.02Å; L99-W107 HydrophobicContact CB-CZ3 4.23Å; L99-W107 HydrophobicContact CD1-CD2 4.39Å; L99-W107 HydrophobicContact CD1-CE3 3.5Å; L99-W107 HydrophobicContact CD1-CH2 4.15Å; L99-W107 HydrophobicContact CD1-CZ3 3.35Å; L99-W107 HydrophobicContact CG-CE3 4.15Å; L99-W107 HydrophobicContact CG-CZ3 4.41Å; Y103-W107 HydrophobicContact CG-CB 4.45Å; G104-W107 VanDerWaalsContact O-CB 3.31Å; G104-W107 WeakPolarHBondContact O-CB 3.2Å; G104-W107 PolarHBondContact O-N 3.02Å; G104-W107 VanDerWaalsContact O-N 3.1Å; P105-W107 PolarHBondContact O-N 3.33Å; W107-E109 VanDerWaalsContact C-N 3.26Å; W107-E109 PolarHBondContact O-N 3.2Å; W107-K110 PolarHBondContact O-N 3.11Å; W107-I111 HydrophobicContact CE3-CD1 3.88Å; W107-I111 HydrophobicContact CE3-CG1 4.07Å; W107-I111 HydrophobicContact CZ3-CD1 3.53Å; W107-I111 HydrophobicContact CZ3-CG1 4.21Å; W107-I111 PolarHBondContact O-N 3.19Å
108R97.2Very high97.4Very high137 Ų13760.5 Ų60.552%0.51731%0.305SS..G310 helixtrans-60.1-35.5179.3-70.5-174.6174.385.90.5112.5E96 D106 K110E96-R108 IonicContact OE1-CZ 3.9Å; E96-R108 IonicContact OE1-NH2 3.87Å; E96-R108 PolarHBondContact OE1-NH2 3.32Å; E96-R108 IonicContact OE2-NH2 2.82Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.14Å; R108-K110 PolarHBondContact O-N 3.31Å
109E96.6Very high97.4Very high168 Ų16866 Ų6679%0.78533%0.326SS*.G310 helixtrans-76.2-13178.3-59.3-179.1-176.600112.7D106 W107D106-E109 PolarHBondContact O-N 2.69Å; D106-E109 VanDerWaalsContact O-N 3.15Å; W107-E109 VanDerWaalsContact C-N 3.26Å; W107-E109 PolarHBondContact O-N 3.2Å
110K95.1Very high97.4Very high91 Ų9166 Ų6640%0.39633%0.326SS..G310 helixtrans-105.12.7-174.8-58.5173.2-167.8170.30112.7Y103 W107 R108 V112Y103-K110 HydrophobicContact CD1-CB 3.75Å; Y103-K110 HydrophobicContact CD1-CD 3.95Å; Y103-K110 HydrophobicContact CD1-CG 4.47Å; Y103-K110 HydrophobicContact CE1-CB 4.15Å; Y103-K110 HydrophobicContact CG-CB 4.45Å; Y103-K110 PolarHBondContact O-NZ 2.99Å; W107-K110 PolarHBondContact O-N 3.11Å; R108-K110 PolarHBondContact O-N 3.31Å; K110-V112 PolarHBondContact O-N 3.41Å
111I95.8Very high97.5Very high38 Ų3861.4 Ų61.420%0.19530%0.304CS..  trans-67.7121.1178.2-60.9178.2000109C58 Y61 E62 W107 V113C58-I111 HydrophobicContact CB-CG2 4.15Å; Y61-I111 HydrophobicContact CD1-CD1 3.63Å; Y61-I111 HydrophobicContact CE1-CD1 3.66Å; E62-I111 HydrophobicContact CG-CG2 4.44Å; W107-I111 HydrophobicContact CE3-CD1 3.88Å; W107-I111 HydrophobicContact CE3-CG1 4.07Å; W107-I111 HydrophobicContact CZ3-CD1 3.53Å; W107-I111 HydrophobicContact CZ3-CG1 4.21Å; W107-I111 PolarHBondContact O-N 3.19Å; I111-V113 HydrophobicContact CG2-CG1 3.96Å
112V95.2Very high97.5Very high81 Ų8162.1 Ų62.149%0.49131%0.311SS..  trans-130128170.9-168.40000107.8K110 M225K110-V112 PolarHBondContact O-N 3.41Å; V112-M225 HydrophobicContact CB-CE 4.29Å; V112-M225 HydrophobicContact CG1-CE 3.49Å; V112-M225 VanDerWaalsContact CG1-CE 3.49Å
113V97.9Very high97.6Very high26 Ų2662.3 Ų62.316%0.15831%0.311CS..  trans-134.2150.6-177.3-61.50000110.7C58 E62 I111 T117 Q118C58-V113 HydrophobicContact CB-CG1 3.96Å; C58-V113 WeakPolarHBondContact O-CG1 3.21Å; E62-V113 HydrophobicContact CG-CG1 4.02Å; E62-V113 HydrophobicContact CG-CG2 4.43Å; I111-V113 HydrophobicContact CG2-CG1 3.96Å; V113-T117 HydrophobicContact CB-CG2 3.92Å; V113-T117 HydrophobicContact CG1-CG2 4.13Å; V113-T117 HydrophobicContact CG2-CG2 4.19Å; V113-Q118 HydrophobicContact CG2-CG 4.16Å
114P97.8Very high97.7Very high10 Ų1060.4 Ų60.47%0.06530%0.304CS..  trans-69158.8173.928.7-34.4000111.2S59 A116 T117 Q118 L222 M225S59-P114 WeakPolarHBondContact OG-CD 3.45Å; P114-A116 PolarHBondContact O-N 2.91Å; P114-A116 VanDerWaalsContact O-N 3.1Å; P114-T117 WeakPolarHBondContact CD-OG1 3.23Å; P114-T117 WeakPolarHBondContact CG-OG1 3.4Å; P114-T117 WeakPolarHBondContact O-CB 3.45Å; P114-T117 PolarHBondContact O-N 3.41Å; P114-Q118 PolarHBondContact O-N 2.94Å; P114-L222 HydrophobicContact CG-CD2 4.29Å; P114-L222 HydrophobicContact CG-CG 4.26Å; P114-M225 HydrophobicContact CB-SD 3.78Å; P114-M225 HydrophobicContact CG-SD 4.26Å
115V98.1Very high97.8Very high102 Ų10263 Ų6362%0.61831%0.306SS*.Hα-helixtrans-53.7-32.1173.6175.80000111.9T117 Q118 R119V115-T117 VanDerWaalsContact C-N 3.3Å; V115-T117 PolarHBondContact O-N 2.84Å; V115-Q118 PolarHBondContact O-N 3.5Å; V115-R119 HydrophobicContact CG1-CG 4.47Å; V115-R119 PolarHBondContact O-N 3.05Å
116A98.6Very high97.9Very high13 Ų1361.5 Ų61.511%0.10729%0.291CS..Hα-helixtrans-59.2-38.5175.400000113P114 R119 Y120 Q217 V218P114-A116 PolarHBondContact O-N 2.91Å; P114-A116 VanDerWaalsContact O-N 3.1Å; A116-R119 PolarHBondContact O-N 2.88Å; A116-Y120 PolarHBondContact O-N 3.32Å; A116-Q217 HydrophobicContact CB-CB 4.04Å; A116-Q217 VanDerWaalsContact CB-O 3.3Å; A116-Q217 WeakPolarHBondContact CB-O 3.47Å; A116-V218 HydrophobicContact CB-CG2 4.1Å
117T98.8Very high97.9Very high0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-66.2-42.1176.8-580000111.2S59 E62 I63 V113 P114 V115 Y120 S121S59-T117 WeakPolarHBondContact CB-OG1 3.48Å; S59-T117 WeakPolarHBondContact O-CG2 3.44Å; S59-T117 PolarHBondContact OG-OG1 2.95Å; E62-T117 HydrophobicContact CB-CG2 3.75Å; E62-T117 HydrophobicContact CG-CG2 4.47Å; I63-T117 HydrophobicContact CD1-CG2 4.22Å; I63-T117 HydrophobicContact CG1-CG2 4.01Å; V113-T117 HydrophobicContact CB-CG2 3.92Å; V113-T117 HydrophobicContact CG1-CG2 4.13Å; V113-T117 HydrophobicContact CG2-CG2 4.19Å; P114-T117 WeakPolarHBondContact CD-OG1 3.23Å; P114-T117 WeakPolarHBondContact CG-OG1 3.4Å; P114-T117 WeakPolarHBondContact O-CB 3.45Å; P114-T117 PolarHBondContact O-N 3.41Å; V115-T117 VanDerWaalsContact C-N 3.3Å; V115-T117 PolarHBondContact O-N 2.84Å; T117-Y120 PolarHBondContact O-N 2.76Å; T117-S121 WeakPolarHBondContact O-CB 3.29Å; T117-S121 PolarHBondContact O-N 2.97Å; T117-S121 PolarHBondContact O-OG 3.3Å
118Q98.6Very high98Very high120 Ų12057.2 Ų57.256%0.56127%0.269SS*.Hα-helixtrans-63.8-43.3176.5-65.7176.4-11.800111.1V113 P114 V115 Y120 S121 H122V113-Q118 HydrophobicContact CG2-CG 4.16Å; P114-Q118 PolarHBondContact O-N 2.94Å; V115-Q118 PolarHBondContact O-N 3.5Å; Q118-Y120 VanDerWaalsContact C-N 3.34Å; Q118-Y120 PolarHBondContact O-N 2.96Å; Q118-S121 PolarHBondContact O-N 3.01Å; Q118-H122 VanDerWaalsContact O-CB 3.32Å; Q118-H122 WeakPolarHBondContact O-CB 3.34Å; Q118-H122 PolarHBondContact O-N 3.32Å
119R98.8Very high98Very high116 Ų11658.9 Ų58.944%0.43828%0.28SS..Hα-helixtrans-60-42.7174.8-79.2-178.351.1-101.7-3.5112.5V115 A116 H122 R123 F214V115-R119 HydrophobicContact CG1-CG 4.47Å; V115-R119 PolarHBondContact O-N 3.05Å; A116-R119 PolarHBondContact O-N 2.88Å; R119-H122 PolarHBondContact O-N 3.19Å; R119-R123 PolarHBondContact O-N 3.18Å; R119-F214 HydrophobicContact CB-CE1 4.46Å
120Y98.9Very high98.1Very high1 Ų156.1 Ų56.10%0.00427%0.266CS..Hα-helixtrans-62.9-51.7176.1-165.8172.4000110.5I63 A116 T117 Q118 H122 R123 L124 H138 F214 V218I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.29Å; I63-Y120 HydrophobicContact CD1-CG 4.46Å; I63-Y120 HydrophobicContact CG1-CD1 3.95Å; I63-Y120 HydrophobicContact CG1-CG 4.27Å; I63-Y120 HydrophobicContact CG2-CD1 4.16Å; I63-Y120 HydrophobicContact CG2-CE1 4.09Å; A116-Y120 PolarHBondContact O-N 3.32Å; T117-Y120 PolarHBondContact O-N 2.76Å; Q118-Y120 VanDerWaalsContact C-N 3.34Å; Q118-Y120 PolarHBondContact O-N 2.96Å; Y120-H122 PolarHBondContact O-N 3.11Å; Y120-R123 PolarHBondContact O-N 3.1Å; Y120-L124 HydrophobicContact CD2-CD1 3.99Å; Y120-L124 HydrophobicContact CD2-CG 3.98Å; Y120-L124 HydrophobicContact CE2-CD1 3.93Å; Y120-L124 HydrophobicContact CE2-CD2 4.06Å; Y120-L124 HydrophobicContact CE2-CG 3.89Å; Y120-L124 PolarHBondContact O-N 3.21Å; Y120-H138 AromaticContact CE2-CE1 3.48Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.48Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H138 AromaticContact CE2-ND1 3.25Å; Y120-H138 VanDerWaalsContact CE2-ND1 3.25Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y120-H138 AromaticContact CZ-ND1 3.62Å; Y120-H138 PolarHBondContact OH-ND1 3.24Å; Y120-H138 VanDerWaalsContact OH-ND1 3.08Å; Y120-F214 HydrophobicContact CD1-CB 3.45Å; Y120-F214 VanDerWaalsContact CD1-CB 3.45Å; Y120-F214 HydrophobicContact CD1-CG 4.3Å; Y120-F214 HydrophobicContact CD2-CB 3.84Å; Y120-F214 HydrophobicContact CD2-CD1 4.41Å; Y120-F214 HydrophobicContact CD2-CD2 4.06Å; Y120-F214 AromaticContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CE1-CB 3.66Å; Y120-F214 HydrophobicContact CE2-CB 4.11Å; Y120-F214 HydrophobicContact CE2-CD2 4.26Å; Y120-F214 HydrophobicContact CE2-CG 4.35Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.2Å; Y120-F214 AromaticContact CG-CG 3.87Å; Y120-F214 HydrophobicContact CG-CG 3.87Å; Y120-V218 HydrophobicContact CD1-CG2 4.37Å
121S98.9Very high98.3Very high3 Ų354.2 Ų54.22%0.02126%0.261CS..Hα-helixtrans-58.2-36.4178.6-51.90000112.4E62 T117 Q118 R125E62-S121 PolarHBondContact O-OG 2.73Å; T117-S121 WeakPolarHBondContact O-CB 3.29Å; T117-S121 PolarHBondContact O-N 2.97Å; T117-S121 PolarHBondContact O-OG 3.3Å; Q118-S121 PolarHBondContact O-N 3.01Å; S121-R125 PolarHBondContact O-N 3.14Å
122H98.8Very high98.4Very high121 Ų12153.2 Ų53.256%0.5626%0.256SS*.Hα-helixtrans-66.4-44.9174.3-178.975.1000112.2Q118 R119 Y120 L124 R125 Q126Q118-H122 VanDerWaalsContact O-CB 3.32Å; Q118-H122 WeakPolarHBondContact O-CB 3.34Å; Q118-H122 PolarHBondContact O-N 3.32Å; R119-H122 PolarHBondContact O-N 3.19Å; Y120-H122 PolarHBondContact O-N 3.11Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.1Å; H122-R125 PolarHBondContact O-N 3.42Å; H122-Q126 WeakPolarHBondContact O-CB 3.3Å; H122-Q126 PolarHBondContact O-N 2.98Å
123R98.8Very high98.6Very high32 Ų3250.2 Ų50.212%0.12124%0.237CC..Hα-helixtrans-58.9-43.2177178.759.9176.91636111.6R119 Y120 R125 Q126 I127 E207 R210 F214R119-R123 PolarHBondContact O-N 3.18Å; Y120-R123 PolarHBondContact O-N 3.1Å; R123-R125 PolarHBondContact O-N 2.74Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.04Å; R123-I127 HydrophobicContact CG-CG2 4.46Å; R123-I127 WeakPolarHBondContact O-CG1 3.47Å; R123-I127 PolarHBondContact O-N 3.43Å; R123-E207 IonicContact CZ-OE1 3.58Å; R123-E207 IonicContact CZ-OE2 2.68Å; R123-E207 IonicContact NE-OE1 3.14Å; R123-E207 PolarHBondContact NE-OE1 3.13Å; R123-E207 IonicContact NE-OE2 2.81Å; R123-E207 PolarHBondContact NE-OE2 3.19Å; R123-E207 IonicContact NH2-OE1 2.84Å; R123-E207 IonicContact NH2-OE2 3.48Å; R123-E207 PolarHBondContact NH2-OE2 3.32Å; R123-R210 VanDerWaalsContact NH2-NH1 3.13Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.99Å; R123-F214 HydrophobicContact CB-CZ 3.72Å; R123-F214 HydrophobicContact CG-CE2 3.71Å; R123-F214 HydrophobicContact CG-CZ 3.85Å
124L98.9Very high98.6Very high1 Ų150 Ų501%0.00523%0.234CC..Hα-helixtrans-57.8-47.7177.2-71.3169.5000111.7I63 A66 L67 Y120 H122 Q126 I127 G128 H138I63-L124 HydrophobicContact CG2-CD1 4.07Å; I63-L124 WeakPolarHBondContact O-CD1 3.37Å; A66-L124 HydrophobicContact CB-CB 4.1Å; A66-L124 HydrophobicContact CB-CD1 4.08Å; L67-L124 HydrophobicContact CB-CD1 4.01Å; L67-L124 HydrophobicContact CD1-CD2 4.02Å; Y120-L124 HydrophobicContact CD2-CD1 3.99Å; Y120-L124 HydrophobicContact CD2-CG 3.98Å; Y120-L124 HydrophobicContact CE2-CD1 3.93Å; Y120-L124 HydrophobicContact CE2-CD2 4.06Å; Y120-L124 HydrophobicContact CE2-CG 3.89Å; Y120-L124 PolarHBondContact O-N 3.21Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.1Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-Q126 PolarHBondContact O-N 3.4Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 VanDerWaalsContact O-CG1 3.27Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.21Å; L124-G128 PolarHBondContact O-N 2.83Å; L124-H138 HydrophobicContact CD2-CB 3.66Å; L124-H138 VanDerWaalsContact CD2-CG 3.48Å
125R98.9Very high98.7Very high79 Ų7949.5 Ų49.530%0.29823%0.231SC..Hα-helixtrans-64.3-37.8175.7-68.2-174.3-175.21022.1113.1A66 E69 E70 S121 H122 R123 K129A66-R125 HydrophobicContact CB-CG 4.31Å; E69-R125 IonicContact OE2-CZ 3.48Å; E69-R125 IonicContact OE2-NE 3.83Å; E69-R125 PolarHBondContact OE2-NE 2.65Å; E69-R125 IonicContact OE2-NH2 3.96Å; E69-R125 PolarHBondContact OE2-NH2 3.34Å; E70-R125 HydrophobicContact CG-CG 4.3Å; S121-R125 PolarHBondContact O-N 3.14Å; H122-R125 PolarHBondContact O-N 3.42Å; R123-R125 PolarHBondContact O-N 2.74Å; R125-K129 PolarHBondContact O-N 3.39Å
126Q98.8Very high98.7Very high62 Ų6244.7 Ų44.729%0.2920%0.202SC..Hα-helixtrans-63.4-52.4177.3-172.4-167.1-28.800110.9H122 R123 L124 G128 K129 E130H122-Q126 WeakPolarHBondContact O-CB 3.3Å; H122-Q126 PolarHBondContact O-N 2.98Å; R123-Q126 WeakPolarHBondContact O-CB 3.24Å; R123-Q126 PolarHBondContact O-N 3.04Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-Q126 PolarHBondContact O-N 3.4Å; Q126-G128 PolarHBondContact O-N 2.82Å; Q126-K129 PolarHBondContact O-N 2.85Å; Q126-E130 VanDerWaalsContact CG-OE2 3.25Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.31Å; Q126-E130 PolarHBondContact NE2-OE2 2.86Å; Q126-E130 WeakPolarHBondContact O-CB 3.49Å; Q126-E130 WeakPolarHBondContact O-CG 3.2Å; Q126-E130 PolarHBondContact O-N 3.43Å
127I98.5Very high98.7Very high0 Ų044.1 Ų44.10%020%0.197CC..Hα-helixtrans-67.8-36-179.665.9179.4000111.9R123 L124 K129 E130 N131 F134 L135 H138R123-I127 HydrophobicContact CG-CG2 4.46Å; R123-I127 WeakPolarHBondContact O-CG1 3.47Å; R123-I127 PolarHBondContact O-N 3.43Å; L124-I127 HydrophobicContact CD2-CD1 4.48Å; L124-I127 VanDerWaalsContact O-CG1 3.27Å; L124-I127 WeakPolarHBondContact O-CG1 3.29Å; L124-I127 PolarHBondContact O-N 3.21Å; I127-K129 PolarHBondContact O-N 3.19Å; I127-K129 VanDerWaalsContact O-N 3.15Å; I127-E130 PolarHBondContact O-N 3.48Å; I127-N131 CarbonylContact O-C 2.96Å; I127-N131 WeakPolarHBondContact O-CA 3.45Å; I127-N131 PolarHBondContact O-N 3.49Å; I127-N131 VanDerWaalsContact O-O 3.11Å; I127-F134 HydrophobicContact CB-CB 4.24Å; I127-F134 HydrophobicContact CD1-CB 4.05Å; I127-F134 HydrophobicContact CG2-CB 4.39Å; I127-F134 HydrophobicContact CG2-CD2 4.31Å; I127-L135 HydrophobicContact CD1-CD2 4.03Å; I127-L135 HydrophobicContact CG1-CD2 3.94Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å
128G98.7Very high98.7Very high1 Ų144.1 Ų44.11%0.0120%0.197CC..Hα-helixtrans-60.5-25.7175.700000113.2E70 N74 L124 Q126E70-G128 WeakPolarHBondContact OE2-CA 3.47Å; N74-G128 PolarHBondContact ND2-O 2.86Å; N74-G128 PolarHBondContact OD1-O 3.49Å; L124-G128 PolarHBondContact O-N 2.83Å; Q126-G128 PolarHBondContact O-N 2.82Å
129K98.5Very high98.7Very high172 Ų17238.4 Ų38.475%0.74817%0.17SC*.Hα-helixtrans-89.8-42174.5-174.9-178.3177.1-171.80113.5R125 Q126 I127R125-K129 PolarHBondContact O-N 3.39Å; Q126-K129 PolarHBondContact O-N 2.85Å; I127-K129 PolarHBondContact O-N 3.19Å; I127-K129 VanDerWaalsContact O-N 3.15Å
130E98.3Very high98.6Very high109 Ų10933.8 Ų33.851%0.50915%0.153SC..Hα-helixtrans-100.8-33.9-165.9-64.6172-176.200113.4Q126 I127Q126-E130 VanDerWaalsContact CG-OE2 3.25Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.31Å; Q126-E130 PolarHBondContact NE2-OE2 2.86Å; Q126-E130 WeakPolarHBondContact O-CB 3.49Å; Q126-E130 WeakPolarHBondContact O-CG 3.2Å; Q126-E130 PolarHBondContact O-N 3.43Å; I127-E130 PolarHBondContact O-N 3.48Å
131N98.3Very high98.6Very high52 Ų5234.4 Ų34.428%0.27816%0.157SC..  trans-148.667.6-172.2-53.2-94.1000110.1I127 E133 F134I127-N131 CarbonylContact O-C 2.96Å; I127-N131 WeakPolarHBondContact O-CA 3.45Å; I127-N131 PolarHBondContact O-N 3.49Å; I127-N131 VanDerWaalsContact O-O 3.11Å; N131-E133 WeakPolarHBondContact CA-OE2 3.48Å; N131-E133 WeakPolarHBondContact CB-OE1 3.49Å; N131-E133 PolarHBondContact O-N 3.22Å; N131-E133 VanDerWaalsContact O-N 3.15Å; N131-F134 HydrophobicContact CB-CD2 3.63Å; N131-F134 HydrophobicContact CB-CE2 3.8Å; N131-F134 HydrophobicContact CB-CG 4.16Å; N131-F134 HydrophobicContact CB-CZ 4.45Å; N131-F134 WeakPolarHBondContact O-CB 3.33Å; N131-F134 PolarHBondContact O-N 2.82Å
132P98.6Very high98.5Very high16 Ų1635.2 Ų35.210%0.10416%0.16CC..G310 helixtrans-60.3-25.3-170.2-24.835.6000114.8N74 H77 V80 F134 L135N74-P132 HydrophobicContact CB-CB 4.14Å; N74-P132 WeakPolarHBondContact OD1-CB 3.21Å; N74-P132 WeakPolarHBondContact OD1-CG 3.42Å; H77-P132 HydrophobicContact CB-CB 4.46Å; V80-P132 HydrophobicContact CG2-CB 4.49Å; V80-P132 WeakPolarHBondContact CG2-O 3.28Å; P132-F134 PolarHBondContact O-N 3.43Å; P132-L135 HydrophobicContact CB-CD1 4.44Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 3.11Å
133E98.5Very high98.5Very high18 Ų1830 Ų308%0.08414%0.135CC..G310 helixtrans-58.1-27.8174.170-73.217400113A79 N131 L135 V136 L196 E200A79-E133 HydrophobicContact CB-CB 3.65Å; N131-E133 WeakPolarHBondContact CA-OE2 3.48Å; N131-E133 WeakPolarHBondContact CB-OE1 3.49Å; N131-E133 PolarHBondContact O-N 3.22Å; N131-E133 VanDerWaalsContact O-N 3.15Å; E133-L135 PolarHBondContact O-N 3.36Å; E133-V136 WeakPolarHBondContact O-CB 3.47Å; E133-V136 WeakPolarHBondContact O-CG2 3.48Å; E133-V136 PolarHBondContact O-N 2.81Å; E133-L196 HydrophobicContact CB-CD2 4.08Å; E133-E200 HydrophobicContact CG-CB 4.29Å; E133-E200 HydrophobicContact CG-CG 4.23Å
134F98.8Very high98.5Very high22 Ų2228.8 Ų28.810%0.09613%0.131CC..G310 helixtrans-72.8-14.2176-64.6-9.9000113.5I127 N131 P132 V136 A137 G203 V204 E207I127-F134 HydrophobicContact CB-CB 4.24Å; I127-F134 HydrophobicContact CD1-CB 4.05Å; I127-F134 HydrophobicContact CG2-CB 4.39Å; I127-F134 HydrophobicContact CG2-CD2 4.31Å; N131-F134 HydrophobicContact CB-CD2 3.63Å; N131-F134 HydrophobicContact CB-CE2 3.8Å; N131-F134 HydrophobicContact CB-CG 4.16Å; N131-F134 HydrophobicContact CB-CZ 4.45Å; N131-F134 WeakPolarHBondContact O-CB 3.33Å; N131-F134 PolarHBondContact O-N 2.82Å; P132-F134 PolarHBondContact O-N 3.43Å; F134-V136 PolarHBondContact O-N 2.91Å; F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 2.68Å; F134-A137 VanDerWaalsContact O-N 3.14Å; F134-G203 VanDerWaalsContact CE1-C 3.42Å; F134-V204 HydrophobicContact CD1-CG2 3.73Å; F134-V204 HydrophobicContact CE1-CG2 4.22Å; F134-E207 HydrophobicContact CB-CB 4.31Å; F134-E207 HydrophobicContact CB-CG 4.1Å; F134-E207 HydrophobicContact CG-CB 4.38Å
135L98.8Very high98.3Very high0 Ų030.3 Ų30.30%015%0.147CC..Hα-helixtrans-60.3-28.7172.7-68.2169.7000111.8E70 M71 N74 V80 I127 P132 E133 A137 H138 A139E70-L135 HydrophobicContact CB-CD1 4.25Å; E70-L135 HydrophobicContact CB-CD2 3.97Å; M71-L135 HydrophobicContact SD-CB 3.94Å; M71-L135 HydrophobicContact SD-CD1 4.44Å; N74-L135 HydrophobicContact CB-CD1 4.05Å; V80-L135 HydrophobicContact CG2-CB 4.33Å; V80-L135 HydrophobicContact CG2-CD1 4.11Å; I127-L135 HydrophobicContact CD1-CD2 4.03Å; I127-L135 HydrophobicContact CG1-CD2 3.94Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; P132-L135 HydrophobicContact CB-CD1 4.44Å; P132-L135 WeakPolarHBondContact O-CB 3.38Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 3.11Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.26Å; L135-A137 PolarHBondContact O-N 3.41Å; L135-H138 PolarHBondContact O-N 3.39Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å
136V98.4Very high98.3Very high1 Ų127 Ų271%0.00614%0.135CC..Hα-helixtrans-55.2-42.8175.5177.40000111.2L19 A79 I83 E133 F134 H138 Y140 M191L19-V136 HydrophobicContact CD2-CG1 4.42Å; A79-V136 HydrophobicContact CB-CG2 4.48Å; A79-V136 VanDerWaalsContact O-CG2 3.24Å; A79-V136 WeakPolarHBondContact O-CG2 3.39Å; I83-V136 HydrophobicContact CD1-CB 4.11Å; I83-V136 HydrophobicContact CD1-CG1 4.26Å; I83-V136 HydrophobicContact CD1-CG2 3.77Å; I83-V136 HydrophobicContact CG1-CG2 4.49Å; E133-V136 WeakPolarHBondContact O-CB 3.47Å; E133-V136 WeakPolarHBondContact O-CG2 3.48Å; E133-V136 PolarHBondContact O-N 2.81Å; F134-V136 PolarHBondContact O-N 2.91Å; V136-H138 PolarHBondContact O-N 2.93Å; V136-Y140 WeakPolarHBondContact O-CB 3.25Å; V136-Y140 PolarHBondContact O-N 3.04Å; V136-M191 HydrophobicContact CG1-CG 3.58Å; V136-M191 HydrophobicContact CG1-SD 3.55Å; V136-M191 VanDerWaalsContact CG1-SD 3.55Å
137A98.6Very high98.2Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-62.7-43.1-179.700000112.5F134 L135 T141 V204 E207 A208F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 2.68Å; F134-A137 VanDerWaalsContact O-N 3.14Å; L135-A137 VanDerWaalsContact C-N 3.26Å; L135-A137 PolarHBondContact O-N 3.41Å; A137-T141 WeakPolarHBondContact O-CB 3.03Å; A137-T141 PolarHBondContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.48Å; A137-V204 HydrophobicContact CB-CG1 4.24Å; A137-E207 HydrophobicContact CB-CB 3.91Å; A137-E207 HydrophobicContact CB-CG 4.19Å; A137-A208 HydrophobicContact CB-CB 3.96Å
138H98.8Very high98Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-74.5-44-179.8-72.3-78.4000112.7L67 Y120 L124 I127 L135 V136 Y140 T141 R142 E207 A211L67-H138 HydrophobicContact CD1-CB 4.16Å; Y120-H138 AromaticContact CE2-CE1 3.48Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.48Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H138 AromaticContact CE2-ND1 3.25Å; Y120-H138 VanDerWaalsContact CE2-ND1 3.25Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.33Å; Y120-H138 AromaticContact CZ-ND1 3.62Å; Y120-H138 PolarHBondContact OH-ND1 3.24Å; Y120-H138 VanDerWaalsContact OH-ND1 3.08Å; L124-H138 HydrophobicContact CD2-CB 3.66Å; L124-H138 VanDerWaalsContact CD2-CG 3.48Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å; L135-H138 PolarHBondContact O-N 3.39Å; V136-H138 PolarHBondContact O-N 2.93Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.15Å; H138-T141 PolarHBondContact O-N 3.36Å; H138-R142 WeakPolarHBondContact O-CB 3.48Å; H138-R142 WeakPolarHBondContact O-CG 3.44Å; H138-R142 PolarHBondContact O-N 3.04Å; H138-E207 IonicContact CE1-OE1 3.2Å; H138-E207 VanDerWaalsContact NE2-CG 3.34Å; H138-E207 WeakPolarHBondContact NE2-CG 3.35Å; H138-E207 IonicContact NE2-OE1 3.87Å; H138-E207 PolarHBondContact NE2-OE1 2.96Å; H138-E207 VanDerWaalsContact NE2-OE1 3.14Å; H138-A211 WeakPolarHBondContact ND1-CB 3.36Å
139A98.7Very high97.7Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-60.4-44.3175.800000110.9M71 I83 L135 Y143 Y187M71-A139 HydrophobicContact CE-CB 4.28Å; M71-A139 HydrophobicContact SD-CB 4.2Å; I83-A139 HydrophobicContact CD1-CB 4.04Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å; A139-Y143 HydrophobicContact CB-CD2 3.87Å; A139-Y143 HydrophobicContact CB-CE2 3.91Å; A139-Y143 WeakPolarHBondContact O-CB 3.5Å; A139-Y143 VanDerWaalsContact O-CD2 3.23Å; A139-Y143 WeakPolarHBondContact O-CD2 3.45Å; A139-Y143 PolarHBondContact O-N 2.75Å; A139-Y187 VanDerWaalsContact CB-OH 3.28Å; A139-Y187 WeakPolarHBondContact CB-OH 3.47Å
140Y97.9Very high97.5Very high19 Ų1920 Ų208%0.07512%0.121CC..Hα-helixtrans-56-53.8172175.5-86.9000111.4I23 V136 H138 R142 L144 M191I23-Y140 HydrophobicContact CB-CE1 4.35Å; I23-Y140 HydrophobicContact CG2-CD1 3.43Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I23-Y140 HydrophobicContact CG2-CE1 3.32Å; I23-Y140 HydrophobicContact CG2-CG 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.25Å; V136-Y140 PolarHBondContact O-N 3.04Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.15Å; Y140-R142 VanDerWaalsContact C-N 3.3Å; Y140-R142 PolarHBondContact O-N 3.11Å; Y140-L144 HydrophobicContact CD2-CD2 3.32Å; Y140-L144 HydrophobicContact CE2-CD2 3.26Å; Y140-L144 HydrophobicContact CG-CD2 4.17Å; Y140-L144 WeakPolarHBondContact O-CB 3.34Å; Y140-L144 PolarHBondContact O-N 2.84Å; Y140-M191 HydrophobicContact CD2-CE 3.39Å; Y140-M191 HydrophobicContact CD2-SD 3.65Å; Y140-M191 HydrophobicContact CE2-CE 3.7Å; Y140-M191 HydrophobicContact CG-CE 4.35Å; Y140-M191 HydrophobicContact CG-SD 4.2Å
141T97.4Very high97.2Very high14 Ų1417.9 Ų17.99%0.08611%0.111CC..Hα-helixtrans-60.7-40.6-174.4-61.70000111.9A137 H138 A211 F212A137-T141 WeakPolarHBondContact O-CB 3.03Å; A137-T141 PolarHBondContact O-N 3.14Å; A137-T141 PolarHBondContact O-OG1 3.48Å; H138-T141 PolarHBondContact O-N 3.36Å; T141-A211 HydrophobicContact CG2-CB 4.03Å; T141-F212 HydrophobicContact CG2-CD2 3.76Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.62Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; T141-F212 HydrophobicContact CG2-CZ 3.99Å
142R98.4Very high97Very high21 Ų2118.8 Ų18.88%0.07912%0.118CC..Hα-helixtrans-79-65.5-178.6-69.5-55-49.8162.315.2112Y64 L67 H138 Y140 L144 G145 D146 N215Y64-R142 HydrophobicContact CE1-CB 4.33Å; Y64-R142 PolarHBondContact OH-NE 3Å; Y64-R142 PolarHBondContact OH-NH2 3.38Å; L67-R142 HydrophobicContact CD2-CB 4.32Å; L67-R142 HydrophobicContact CD2-CG 4.34Å; H138-R142 WeakPolarHBondContact O-CB 3.48Å; H138-R142 WeakPolarHBondContact O-CG 3.44Å; H138-R142 PolarHBondContact O-N 3.04Å; Y140-R142 VanDerWaalsContact C-N 3.3Å; Y140-R142 PolarHBondContact O-N 3.11Å; R142-L144 PolarHBondContact O-N 2.84Å; R142-G145 WeakPolarHBondContact O-CA 3.25Å; R142-G145 PolarHBondContact O-N 3.17Å; R142-G145 VanDerWaalsContact O-N 3.12Å; R142-D146 IonicContact NH2-OD1 3.93Å; R142-D146 PolarHBondContact NH2-OD1 3.42Å; R142-D146 PolarHBondContact O-N 3.31Å; R142-N215 PolarHBondContact NH1-OD1 3.08Å
143Y98.6Very high96.8Very high10 Ų1019.9 Ų19.94%0.03912%0.123CC..Hα-helixtrans-64.5-39.5-169.1-62.8-54000113.3Y64 L67 E68 L89 R91 A139 G145 D146 L147Y64-Y143 HydrophobicContact CD1-CE1 4.05Å; Y64-Y143 HydrophobicContact CE1-CD1 4.01Å; Y64-Y143 AromaticContact CE1-CE1 3.59Å; Y64-Y143 HydrophobicContact CE1-CE1 3.59Å; L67-Y143 HydrophobicContact CD2-CE2 4.12Å; E68-Y143 WeakPolarHBondContact CG-OH 3.19Å; E68-Y143 PolarHBondContact OE1-OH 2.98Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.45Å; L89-Y143 HydrophobicContact CB-CE1 3.93Å; L89-Y143 HydrophobicContact CB-CG 4.14Å; L89-Y143 HydrophobicContact CD1-CD1 4.42Å; L89-Y143 HydrophobicContact CD1-CD2 3.87Å; L89-Y143 HydrophobicContact CD1-CE2 4.46Å; L89-Y143 HydrophobicContact CD1-CG 3.85Å; L89-Y143 HydrophobicContact CD2-CD1 4.47Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.39Å; L89-Y143 VanDerWaalsContact O-CE1 3.23Å; L89-Y143 WeakPolarHBondContact O-CE1 3.49Å; R91-Y143 HydrophobicContact CG-CE1 4.33Å; A139-Y143 HydrophobicContact CB-CD2 3.87Å; A139-Y143 HydrophobicContact CB-CE2 3.91Å; A139-Y143 WeakPolarHBondContact O-CB 3.5Å; A139-Y143 VanDerWaalsContact O-CD2 3.23Å; A139-Y143 WeakPolarHBondContact O-CD2 3.45Å; A139-Y143 PolarHBondContact O-N 2.75Å; Y143-G145 VanDerWaalsContact C-N 3.33Å; Y143-D146 PolarHBondContact O-N 3.44Å; Y143-L147 WeakPolarHBondContact O-CG 3.36Å; Y143-L147 PolarHBondContact O-N 3.36Å
144L97.4Very high96.6Very high7 Ų719.4 Ų19.44%0.03712%0.123CC..Hα-helixtrans-74.2-28178.4-85.245.1000112.1Y140 R142 S148 K184 Y187 R188Y140-L144 HydrophobicContact CD2-CD2 3.32Å; Y140-L144 HydrophobicContact CE2-CD2 3.26Å; Y140-L144 HydrophobicContact CG-CD2 4.17Å; Y140-L144 WeakPolarHBondContact O-CB 3.34Å; Y140-L144 PolarHBondContact O-N 2.84Å; R142-L144 PolarHBondContact O-N 2.84Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.35Å; L144-S148 PolarHBondContact O-OG 3.3Å; L144-K184 HydrophobicContact CG-CG 4.19Å; L144-Y187 HydrophobicContact CD1-CD1 3.52Å; L144-Y187 HydrophobicContact CD1-CD2 4.25Å; L144-Y187 HydrophobicContact CD1-CE1 3.9Å; L144-Y187 HydrophobicContact CD1-CG 3.71Å; L144-Y187 HydrophobicContact CD2-CD1 4.03Å; L144-Y187 HydrophobicContact CD2-CE1 4.49Å; L144-Y187 HydrophobicContact CG-CD1 4.44Å; L144-R188 HydrophobicContact CD2-CG 4.27Å
145G96.3Very high96.3Very high33 Ų3326.2 Ų26.234%0.3415%0.148SC..Hα-helixtrans-62.6-46.6168.600000111.4R142 Y143 L147 S148 G149 G150R142-G145 WeakPolarHBondContact O-CA 3.25Å; R142-G145 PolarHBondContact O-N 3.17Å; R142-G145 VanDerWaalsContact O-N 3.12Å; Y143-G145 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.39Å; G145-S148 CarbonylContact O-C 3.46Å; G145-S148 PolarHBondContact O-N 3.14Å; G145-G149 PolarHBondContact O-N 3.05Å; G145-G150 PolarHBondContact O-N 3.06Å
146D98.1Very high96.1Very high9 Ų928 Ų285%0.04816%0.157CC..Iπ-helixtrans-65.4-39.5-179.7-53.8-35.1000112.7Y64 R142 Y143 S148 G150 Q151 F171 F174Y64-D146 PolarHBondContact OH-OD1 3.03Å; Y64-D146 PolarHBondContact OH-OD2 3.34Å; R142-D146 IonicContact NH2-OD1 3.93Å; R142-D146 PolarHBondContact NH2-OD1 3.42Å; R142-D146 PolarHBondContact O-N 3.31Å; Y143-D146 PolarHBondContact O-N 3.44Å; D146-S148 PolarHBondContact O-N 3.45Å; D146-G150 WeakPolarHBondContact O-CA 3.25Å; D146-Q151 PolarHBondContact O-N 3.34Å; D146-Q151 PolarHBondContact O-NE2 3.39Å; D146-Q151 VanDerWaalsContact O-NE2 3.1Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.4Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.53Å
147L97.4Very high95.9Very high2 Ų228 Ų281%0.0116%0.157CC..Iπ-helixtrans-76.70.1174.2-69.3176.2000113.6L89 Y143 G145 F174 V177 P180 F183 K184L89-L147 HydrophobicContact CD2-CD1 3.85Å; Y143-L147 WeakPolarHBondContact O-CG 3.36Å; Y143-L147 PolarHBondContact O-N 3.36Å; G145-L147 PolarHBondContact O-N 3.39Å; L147-F174 HydrophobicContact CD2-CB 4.21Å; L147-F174 HydrophobicContact CD2-CD1 3.61Å; L147-F174 HydrophobicContact CD2-CD2 3.82Å; L147-F174 HydrophobicContact CD2-CE1 3.87Å; L147-F174 HydrophobicContact CD2-CE2 4.09Å; L147-F174 HydrophobicContact CD2-CG 3.61Å; L147-F174 HydrophobicContact CD2-CZ 4.12Å; L147-F174 HydrophobicContact CG-CD1 4.34Å; L147-F174 HydrophobicContact CG-CE1 4.14Å; L147-F174 HydrophobicContact CG-CZ 4.34Å; L147-V177 HydrophobicContact CD2-CG1 4.29Å; L147-V177 HydrophobicContact CD2-CG2 4.45Å; L147-P180 HydrophobicContact CD2-CB 4.3Å; L147-F183 HydrophobicContact CD1-CD1 3.71Å; L147-F183 HydrophobicContact CD1-CE1 4.34Å; L147-K184 HydrophobicContact CB-CD 3.88Å; L147-K184 HydrophobicContact CB-CG 3.96Å; L147-K184 HydrophobicContact CD1-CG 4.13Å; L147-K184 PolarHBondContact O-NZ 3.08Å
148S93.8Very high95.7Very high47 Ų4730.9 Ų30.933%0.32917%0.17SC..Iπ-helixtrans-120.1-96.4177.9-54.60000110.3L144 G145 D146 G150 Q151 K184L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.35Å; L144-S148 PolarHBondContact O-OG 3.3Å; G145-S148 CarbonylContact O-C 3.46Å; G145-S148 PolarHBondContact O-N 3.14Å; D146-S148 PolarHBondContact O-N 3.45Å; S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 3.2Å; S148-Q151 PolarHBondContact O-N 3.31Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.42Å; S148-K184 PolarHBondContact OG-NZ 3.09Å
149G92Very high95.5Very high36 Ų3639.7 Ų39.737%0.37121%0.209SC..Iπ-helixtrans-62.6-32.1-179.700000112.8G145 Q151 V152 L153G145-G149 PolarHBondContact O-N 3.05Å; G149-Q151 PolarHBondContact O-N 3.29Å; G149-V152 WeakPolarHBondContact O-CB 3.44Å; G149-V152 PolarHBondContact O-N 2.87Å; G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.37Å
150G93.6Very high95.2Very high5 Ų541.7 Ų41.75%0.05222%0.222CC..Iπ-helixtrans-54.7-37.2178.800000113.7G145 D146 S148 V152 L153 G154 F172G145-G150 PolarHBondContact O-N 3.06Å; D146-G150 WeakPolarHBondContact O-CA 3.25Å; S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 3.2Å; G150-V152 VanDerWaalsContact C-N 3.3Å; G150-V152 PolarHBondContact O-N 2.76Å; G150-L153 PolarHBondContact O-N 3.27Å; G150-G154 PolarHBondContact O-N 3.02Å; G150-F172 WeakPolarHBondContact O-CD1 3.4Å; G150-F172 WeakPolarHBondContact O-CE1 3.48Å
151Q93.8Very high95Very high64 Ų6442.4 Ų42.430%0.29923%0.227SC..Hα-helixtrans-66-32.5177.8-58.7-56.1-62.800112.8D146 S148 G149 R155 F172D146-Q151 PolarHBondContact O-N 3.34Å; D146-Q151 PolarHBondContact O-NE2 3.39Å; D146-Q151 VanDerWaalsContact O-NE2 3.1Å; S148-Q151 PolarHBondContact O-N 3.31Å; G149-Q151 PolarHBondContact O-N 3.29Å; Q151-R155 PolarHBondContact O-NE 2.97Å; Q151-F172 PolarHBondContact NE2-O 3.4Å
152V94.1Very high94.7Very high70 Ų7044.9 Ų44.942%0.42426%0.255SS..Hα-helixtrans-75.3-45.7173.8-178.30000109.7G149 G150 G154 R155 I156G149-V152 WeakPolarHBondContact O-CB 3.44Å; G149-V152 PolarHBondContact O-N 2.87Å; G150-V152 VanDerWaalsContact C-N 3.3Å; G150-V152 PolarHBondContact O-N 2.76Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.33Å; V152-R155 PolarHBondContact O-N 3.4Å; V152-I156 HydrophobicContact CG1-CD1 3.92Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.42Å; V152-I156 PolarHBondContact O-N 3.19Å
153L93.4Very high94.4Very high40 Ų4045 Ų4521%0.20926%0.257CS..Hα-helixtrans-59.6-40.3179.5-66.4176.4000112.4M40 F43 G149 G150 R155 I156 A157 F172M40-L153 HydrophobicContact SD-CD1 4.25Å; F43-L153 HydrophobicContact CB-CD2 3.63Å; F43-L153 HydrophobicContact CD1-CB 4.46Å; F43-L153 HydrophobicContact CD1-CD2 4.07Å; F43-L153 HydrophobicContact CG-CD2 4.02Å; G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.37Å; G150-L153 PolarHBondContact O-N 3.27Å; L153-R155 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 3.39Å; L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.26Å; L153-F172 HydrophobicContact CB-CE1 4.18Å
154G93.8Very high93.8Very high7 Ų751.7 Ų51.77%0.07229%0.287CS..Hα-helixtrans-60.5-42.317600000113.1G150 V152 A157 Q158 F172G150-G154 PolarHBondContact O-N 3.02Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.33Å; G154-A157 PolarHBondContact O-N 3.03Å; G154-Q158 WeakPolarHBondContact O-CB 3.49Å; G154-Q158 PolarHBondContact O-N 3.06Å; G154-F172 VanDerWaalsContact CA-CD2 3.47Å
155R93.9Very high92.9Very high165 Ų16556.5 Ų56.562%0.62332%0.321SS*.Hα-helixtrans-65.2-39.5175.1-71.1-175.6-71.9166.4-2.2112.2Q151 V152 L153 K159Q151-R155 PolarHBondContact O-NE 2.97Å; V152-R155 PolarHBondContact O-N 3.4Å; L153-R155 PolarHBondContact O-N 3.27Å; R155-K159 PolarHBondContact O-N 2.97Å; R155-K159 VanDerWaalsContact O-N 3.15Å
156I94.3Very high91.7Very high38 Ų3857 Ų5720%0.19533%0.326CS..Hα-helixtrans-68.9-41.4177-60.8165.9000111F43 V152 L153 Q158 K159 S160F43-I156 WeakPolarHBondContact O-CG2 3.08Å; V152-I156 HydrophobicContact CG1-CD1 3.92Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CG1 3.42Å; V152-I156 PolarHBondContact O-N 3.19Å; L153-I156 PolarHBondContact O-N 3.39Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 3.18Å; I156-K159 PolarHBondContact O-N 3.39Å; I156-S160 WeakPolarHBondContact CG2-OG 3.49Å; I156-S160 VanDerWaalsContact O-CB 3.29Å; I156-S160 WeakPolarHBondContact O-CB 3.46Å; I156-S160 PolarHBondContact O-N 2.63Å; I156-S160 PolarHBondContact O-OG 3.04Å
157A93.6Very high91.2Very high0 Ų060.8 Ų60.80%034%0.343CS..Hα-helixtrans-57.7-48.5175.700000110.8F43 L153 G154 K159 S160 M161 L169 F172F43-A157 HydrophobicContact CE1-CB 4.09Å; L153-A157 VanDerWaalsContact O-CB 3.31Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.26Å; G154-A157 PolarHBondContact O-N 3.03Å; A157-K159 PolarHBondContact O-N 3.36Å; A157-S160 PolarHBondContact O-N 3.49Å; A157-M161 HydrophobicContact CB-CE 3.6Å; A157-M161 WeakPolarHBondContact O-CB 3.35Å; A157-M161 WeakPolarHBondContact O-CE 3.48Å; A157-M161 PolarHBondContact O-N 2.89Å; A157-M161 VanDerWaalsContact O-N 3.1Å; A157-L169 HydrophobicContact CB-CD2 3.83Å; A157-F172 HydrophobicContact CB-CE2 4.48Å
158Q94.4Very high91.1Very high62 Ų6260.8 Ų60.829%0.2934%0.344SS..Hα-helixtrans-53.5-52.3176.2-169-178.38.500112G154 I156 G162 L163 L169G154-Q158 WeakPolarHBondContact O-CB 3.49Å; G154-Q158 PolarHBondContact O-N 3.06Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 3.18Å; Q158-G162 PolarHBondContact O-N 2.95Å; Q158-G162 VanDerWaalsContact O-N 3.08Å; Q158-L163 HydrophobicContact CG-CB 4.39Å; Q158-L163 WeakPolarHBondContact CG-O 3.36Å; Q158-L163 PolarHBondContact O-N 3.15Å; Q158-L169 HydrophobicContact CB-CD1 3.49Å; Q158-L169 VanDerWaalsContact CB-CD1 3.49Å; Q158-L169 HydrophobicContact CG-CD1 3.71Å
159K93.8Very high91.2Very high185 Ų18559.2 Ų59.280%0.80433%0.332SS*.Hα-helixtrans-66.8-47.7-177.2-174.9179.5177.9-177.50112R155 I156 A157 M161 G162R155-K159 PolarHBondContact O-N 2.97Å; R155-K159 VanDerWaalsContact O-N 3.15Å; I156-K159 PolarHBondContact O-N 3.39Å; A157-K159 PolarHBondContact O-N 3.36Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.36Å; K159-G162 PolarHBondContact O-N 3.33Å
160S93.5Very high91.5Very high41 Ų4158.1 Ų58.129%0.28732%0.319SS..Hα-helixtrans-63.8-35-175.2-520000112.4G46 I156 A157G46-S160 VanDerWaalsContact CA-OG 3.28Å; G46-S160 WeakPolarHBondContact CA-OG 3.24Å; G46-S160 PolarHBondContact O-OG 3.19Å; I156-S160 WeakPolarHBondContact CG2-OG 3.49Å; I156-S160 VanDerWaalsContact O-CB 3.29Å; I156-S160 WeakPolarHBondContact O-CB 3.46Å; I156-S160 PolarHBondContact O-N 2.63Å; I156-S160 PolarHBondContact O-OG 3.04Å; A157-S160 PolarHBondContact O-N 3.49Å
161M93.1Very high91.7Very high35 Ų3558.2 Ų58.217%0.17232%0.317CS..Hα-helixtrans-101.61.6-176.9-64.7178.5-71.900113.7L50 Y53 A157 K159 L163L50-M161 HydrophobicContact CB-SD 4.22Å; L50-M161 HydrophobicContact CD1-SD 3.88Å; Y53-M161 HydrophobicContact CD1-CE 3.45Å; Y53-M161 VanDerWaalsContact CD1-CE 3.45Å; Y53-M161 HydrophobicContact CD1-SD 3.81Å; Y53-M161 HydrophobicContact CD2-CE 4.38Å; Y53-M161 HydrophobicContact CE1-CE 3.99Å; Y53-M161 HydrophobicContact CG-CE 3.65Å; Y53-M161 HydrophobicContact CG-SD 3.96Å; A157-M161 HydrophobicContact CB-CE 3.6Å; A157-M161 WeakPolarHBondContact O-CB 3.35Å; A157-M161 WeakPolarHBondContact O-CE 3.48Å; A157-M161 PolarHBondContact O-N 2.89Å; A157-M161 VanDerWaalsContact O-N 3.1Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.36Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.34Å; M161-L163 HydrophobicContact CB-CD2 4.45Å; M161-L163 HydrophobicContact CB-CG 3.95Å; M161-L163 HydrophobicContact CE-CD1 3.84Å; M161-L163 PolarHBondContact O-N 2.77Å
162G91.5Very high91.8Very high66 Ų6656.1 Ų56.168%0.6831%0.307SS*.THydrogen-bonded Turntrans62.232.1-179.600000113.9Q158 K159Q158-G162 PolarHBondContact O-N 2.95Å; Q158-G162 VanDerWaalsContact O-N 3.08Å; K159-G162 PolarHBondContact O-N 3.33Å
163L91.1Very high91.9Very high22 Ų2255.2 Ų55.212%0.11531%0.307CS..PPolyproline II helixtrans-74.1139.9-177.7-61.9175000111.2Y101 F102 Q158 M161 L169Y101-L163 HydrophobicContact CE1-CD2 4.28Å; F102-L163 HydrophobicContact CE1-CD2 4.06Å; F102-L163 HydrophobicContact CZ-CD1 4.08Å; F102-L163 HydrophobicContact CZ-CD2 4.23Å; Q158-L163 HydrophobicContact CG-CB 4.39Å; Q158-L163 WeakPolarHBondContact CG-O 3.36Å; Q158-L163 PolarHBondContact O-N 3.15Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.34Å; M161-L163 HydrophobicContact CB-CD2 4.45Å; M161-L163 HydrophobicContact CB-CG 3.95Å; M161-L163 HydrophobicContact CE-CD1 3.84Å; M161-L163 PolarHBondContact O-N 2.77Å; L163-L169 HydrophobicContact CB-CD1 4.28Å; L163-L169 HydrophobicContact CD1-CD1 4.06Å; L163-L169 HydrophobicContact CD1-CD2 3.94Å; L163-L169 HydrophobicContact CD1-CG 3.82Å
164K86.9Confident92.1Very high152 Ų15254.2 Ų54.266%0.66130%0.301SS*.PPolyproline II helixtrans-63.4152.9168.7-67.8-179.5-177.4173.40109.8G166 E167K164-G166 PolarHBondContact O-N 3.4Å; K164-E167 PolarHBondContact O-N 3.39Å
165S77.8Confident92.1Very high108 Ų10859.9 Ų59.976%0.75534%0.337SS*.THydrogen-bonded Turntrans-57.3122.1-178.1-165.50000111.4E167S165-E167 VanDerWaalsContact C-N 3.34Å; S165-E167 PolarHBondContact O-N 3Å
166G72.4Confident92.2Very high44 Ų4454 Ų5445%0.45433%0.327SS..THydrogen-bonded Turntrans82.3-7.7173.500000116.8K164K164-G166 PolarHBondContact O-N 3.4Å
167E88Confident92.4Very high87 Ų8752.9 Ų52.941%0.40732%0.322SS..THydrogen-bonded Turntrans-91.9126176.5-70.9-178.6173.500110.9Y101 K164 S165 L169Y101-E167 HydrophobicContact CD2-CB 4.19Å; Y101-E167 HydrophobicContact CE1-CB 4.48Å; Y101-E167 HydrophobicContact CE2-CB 3.69Å; Y101-E167 HydrophobicContact CE2-CG 4.23Å; K164-E167 PolarHBondContact O-N 3.39Å; S165-E167 VanDerWaalsContact C-N 3.34Å; S165-E167 PolarHBondContact O-N 3Å; E167-L169 PolarHBondContact O-N 2.95Å
168G94.8Very high92.4Very high2 Ų259 Ų592%0.02137%0.365CS..THydrogen-bonded Turntrans67.820.1-178.800000114.5Y53 D98 F102Y53-G168 VanDerWaalsContact CE1-O 3.25Å; Y53-G168 WeakPolarHBondContact CE1-O 3.37Å; Y53-G168 PolarHBondContact OH-O 3.4Å; Y53-G168 VanDerWaalsContact OH-O 3.06Å; D98-G168 VanDerWaalsContact CG-C 3.49Å; D98-G168 WeakPolarHBondContact OD1-CA 3.36Å; F102-G168 WeakPolarHBondContact CE2-O 3.38Å
169L96.6Very high92.5Very high15 Ų1557.8 Ų57.88%0.07936%0.364CS..  trans-136.315-179.5-66168.5000112.6Y53 D98 A157 Q158 L163 E167 F171 F172Y53-L169 HydrophobicContact CE1-CD2 4.33Å; D98-L169 PolarHBondContact OD1-N 3.34Å; D98-L169 VanDerWaalsContact OD1-N 3.08Å; A157-L169 HydrophobicContact CB-CD2 3.83Å; Q158-L169 HydrophobicContact CB-CD1 3.49Å; Q158-L169 VanDerWaalsContact CB-CD1 3.49Å; Q158-L169 HydrophobicContact CG-CD1 3.71Å; L163-L169 HydrophobicContact CB-CD1 4.28Å; L163-L169 HydrophobicContact CD1-CD1 4.06Å; L163-L169 HydrophobicContact CD1-CD2 3.94Å; L163-L169 HydrophobicContact CD1-CG 3.82Å; E167-L169 PolarHBondContact O-N 2.95Å; L169-F171 PolarHBondContact O-N 3.37Å; L169-F172 HydrophobicContact CB-CD2 4.35Å; L169-F172 HydrophobicContact CD2-CD2 3.9Å; L169-F172 HydrophobicContact CD2-CE2 3.92Å; L169-F172 PolarHBondContact O-N 3.46Å; L169-F172 VanDerWaalsContact O-N 3.1Å
170S97.3Very high92.6Very high13 Ų1351 Ų519%0.09134%0.338CS..G310 helixtrans-58.7-31.6-176.9-45.30000112S94 K97 D98 F172 A173S94-S170 WeakPolarHBondContact CB-O 3.4Å; S94-S170 WeakPolarHBondContact O-CB 3.44Å; S94-S170 PolarHBondContact OG-O 2.83Å; K97-S170 WeakPolarHBondContact CD-OG 3.37Å; D98-S170 WeakPolarHBondContact OD1-CA 3.35Å; D98-S170 WeakPolarHBondContact OD1-CB 3.45Å; D98-S170 PolarHBondContact OD1-N 3.25Å; D98-S170 PolarHBondContact OD1-OG 3.07Å; D98-S170 PolarHBondContact OD2-N 3.49Å; S170-F172 PolarHBondContact O-N 2.82Å; S170-A173 PolarHBondContact O-N 3.05Å
171F97.9Very high92.7Very high6 Ų654.1 Ų54.13%0.02635%0.352CS..G310 helixtrans-52.1-40.3174.9170.1-105.7000112.8L57 L60 Y64 R91 I95 D98 D146 L169 A173L57-F171 HydrophobicContact CD2-CB 4.44Å; L60-F171 HydrophobicContact CD1-CD1 4.26Å; L60-F171 HydrophobicContact CD1-CE1 3.89Å; L60-F171 HydrophobicContact CD1-CE2 4.22Å; L60-F171 HydrophobicContact CD1-CZ 3.87Å; Y64-F171 HydrophobicContact CD2-CE2 4.33Å; Y64-F171 AromaticContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CE2 3.73Å; Y64-F171 HydrophobicContact CE2-CZ 4.12Å; Y64-F171 AromaticContact CZ-CE2 3.91Å; R91-F171 HydrophobicContact CB-CD2 4.16Å; R91-F171 HydrophobicContact CB-CE2 4.15Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.85Å; R91-F171 PolarHBondContact NH1-O 3.06Å; I95-F171 HydrophobicContact CD1-CD2 3.8Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.23Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.34Å; I95-F171 HydrophobicContact CG1-CG 4.24Å; D98-F171 PolarHBondContact OD2-N 3.39Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.4Å; L169-F171 PolarHBondContact O-N 3.37Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.37Å
172F96.4Very high92.9Very high21 Ų2157.7 Ų57.79%0.09237%0.371CS..G310 helixtrans-79.4-10.8-177.4-61-70.8000113.4Y53 G150 Q151 L153 G154 A157 L169 S170 F174Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.21Å; Y53-F172 AromaticContact CZ-CE2 3.98Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.36Å; G150-F172 WeakPolarHBondContact O-CD1 3.4Å; G150-F172 WeakPolarHBondContact O-CE1 3.48Å; Q151-F172 PolarHBondContact NE2-O 3.4Å; L153-F172 HydrophobicContact CB-CE1 4.18Å; G154-F172 VanDerWaalsContact CA-CD2 3.47Å; A157-F172 HydrophobicContact CB-CE2 4.48Å; L169-F172 HydrophobicContact CB-CD2 4.35Å; L169-F172 HydrophobicContact CD2-CD2 3.9Å; L169-F172 HydrophobicContact CD2-CE2 3.92Å; L169-F172 PolarHBondContact O-N 3.46Å; L169-F172 VanDerWaalsContact O-N 3.1Å; S170-F172 PolarHBondContact O-N 2.82Å; F172-F174 WeakPolarHBondContact O-CD2 3.44Å
173A95.1Very high93.3Very high51 Ų5155.5 Ų55.542%0.42134%0.343SS..  trans-89.8130.4-179.700000111.5R91 S170 F171 P175R91-A173 PolarHBondContact NH1-O 3.06Å; S170-A173 PolarHBondContact O-N 3.05Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.37Å; A173-P175 WeakPolarHBondContact O-CD 3.26Å
174F97.2Very high93.6Very high19 Ų1955.5 Ų55.58%0.08334%0.342CS..  trans-119.974.8177.9-68.7-102.4000109.9E88 L89 R91 D146 L147 F172 G176 V177E88-F174 WeakPolarHBondContact O-CD1 3.4Å; L89-F174 HydrophobicContact CD2-CD1 4.3Å; L89-F174 HydrophobicContact CD2-CE1 4.12Å; R91-F174 VanDerWaalsContact NH1-CG 3.32Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.53Å; L147-F174 HydrophobicContact CD2-CB 4.21Å; L147-F174 HydrophobicContact CD2-CD1 3.61Å; L147-F174 HydrophobicContact CD2-CD2 3.82Å; L147-F174 HydrophobicContact CD2-CE1 3.87Å; L147-F174 HydrophobicContact CD2-CE2 4.09Å; L147-F174 HydrophobicContact CD2-CG 3.61Å; L147-F174 HydrophobicContact CD2-CZ 4.12Å; L147-F174 HydrophobicContact CG-CD1 4.34Å; L147-F174 HydrophobicContact CG-CE1 4.14Å; L147-F174 HydrophobicContact CG-CZ 4.34Å; F172-F174 WeakPolarHBondContact O-CD2 3.44Å; F174-G176 PolarHBondContact O-N 3.4Å; F174-V177 HydrophobicContact CB-CB 3.83Å; F174-V177 HydrophobicContact CB-CG2 3.95Å; F174-V177 HydrophobicContact CD1-CG2 4.3Å; F174-V177 PolarHBondContact O-N 3.32Å
175P95.4Very high94.1Very high126 Ų12653.9 Ų53.982%0.81834%0.336SS*.THydrogen-bonded Turntrans-63.2-25.8-175.525.5-34.4000113.4A173 V177A173-P175 WeakPolarHBondContact O-CD 3.26Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 2.99Å
176G95.6Very high95.1Very high41 Ų4151.9 Ų51.942%0.42332%0.317SS..THydrogen-bonded Turntrans-77-6.1172.900000114.5E88 F174E88-G176 WeakPolarHBondContact CG-O 3.39Å; F174-G176 PolarHBondContact O-N 3.4Å
177V97.4Very high96.3Very high14 Ų1449.8 Ų49.89%0.08530%0.296CS..  trans-114103.6-178.3179.30000109.8E88 L147 F174 P175 F183E88-V177 HydrophobicContact CB-CG2 3.85Å; L147-V177 HydrophobicContact CD2-CG1 4.29Å; L147-V177 HydrophobicContact CD2-CG2 4.45Å; F174-V177 HydrophobicContact CB-CB 3.83Å; F174-V177 HydrophobicContact CB-CG2 3.95Å; F174-V177 HydrophobicContact CD1-CG2 4.3Å; F174-V177 PolarHBondContact O-N 3.32Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 2.99Å; V177-F183 HydrophobicContact CG1-CB 3.57Å; V177-F183 HydrophobicContact CG1-CD2 4.33Å; V177-F183 HydrophobicContact CG1-CG 3.93Å; V177-F183 HydrophobicContact CG2-CD1 4.31Å; V177-F183 HydrophobicContact CG2-CD2 4.07Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.04Å
178S94.5Very high96.8Very high130 Ų13049.3 Ų49.391%0.90929%0.29SS*.SBendtrans-69.3-35.4179.357.70000113.5
179S96.4Very high97Very high36 Ų3652.9 Ų52.925%0.25232%0.315SS..  trans-138.6110176.7173.50000110.2N181 L182 F183S179-N181 PolarHBondContact O-N 2.93Å; S179-L182 PolarHBondContact O-N 2.96Å; S179-L182 PolarHBondContact OG-N 2.84Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 3.3Å
180P95.4Very high97.1Very high42 Ų4257.9 Ų57.927%0.27333%0.332SS..Hα-helixtrans-56-35.1177.5-28.635.9000113.2L147 K184L147-P180 HydrophobicContact CD2-CB 4.3Å; P180-K184 WeakPolarHBondContact O-CB 3.1Å; P180-K184 VanDerWaalsContact O-CE 3.32Å; P180-K184 WeakPolarHBondContact O-CE 3.34Å; P180-K184 WeakPolarHBondContact O-CG 3.48Å; P180-K184 PolarHBondContact O-N 2.92Å
181N96.1Very high97.1Very high106 Ų10657.2 Ų57.257%0.56733%0.328SS*.Hα-helixtrans-70.3-47.9-179.5-72.6-17.4000112.1S179 F183 K184 Q185S179-N181 PolarHBondContact O-N 2.93Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 3Å; N181-K184 PolarHBondContact O-N 3.5Å; N181-K184 PolarHBondContact OD1-NZ 3.38Å; N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 2.94Å; N181-Q185 VanDerWaalsContact O-N 3.13Å
182L97.9Very high97.1Very high111 Ų11158.8 Ų58.858%0.58134%0.337SS*.Hα-helixtrans-64.3-40.1177.2-66176.8000111S179 K184 Q185 L186S179-L182 PolarHBondContact O-N 2.96Å; S179-L182 PolarHBondContact OG-N 2.84Å; L182-K184 PolarHBondContact O-N 3.23Å; L182-Q185 WeakPolarHBondContact O-CB 3.16Å; L182-Q185 PolarHBondContact O-N 3.36Å; L182-L186 PolarHBondContact O-N 2.87Å
183F98.4Very high97.1Very high19 Ų1961.2 Ų61.28%0.08336%0.356CS..Hα-helixtrans-66.2-39.5178.8-165.3-85.4000112.3F85 E88 L89 L147 V177 S179 N181 Q185 L186 Y187F85-F183 HydrophobicContact CB-CZ 3.93Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.13Å; F85-F183 HydrophobicContact CD2-CZ 4.26Å; F85-F183 AromaticContact CG-CZ 3.85Å; F85-F183 HydrophobicContact CG-CZ 3.85Å; E88-F183 HydrophobicContact CB-CE2 3.7Å; E88-F183 HydrophobicContact CB-CZ 3.65Å; E88-F183 HydrophobicContact CG-CE2 3.67Å; E88-F183 HydrophobicContact CG-CZ 4.09Å; L89-F183 HydrophobicContact CD1-CE1 3.93Å; L89-F183 HydrophobicContact CD1-CZ 4.37Å; L89-F183 HydrophobicContact CD2-CD1 4.29Å; L89-F183 HydrophobicContact CD2-CE1 3.62Å; L89-F183 HydrophobicContact CD2-CZ 4.26Å; L89-F183 HydrophobicContact CG-CE1 3.81Å; L89-F183 HydrophobicContact CG-CZ 4.08Å; L147-F183 HydrophobicContact CD1-CD1 3.71Å; L147-F183 HydrophobicContact CD1-CE1 4.34Å; V177-F183 HydrophobicContact CG1-CB 3.57Å; V177-F183 HydrophobicContact CG1-CD2 4.33Å; V177-F183 HydrophobicContact CG1-CG 3.93Å; V177-F183 HydrophobicContact CG2-CD1 4.31Å; V177-F183 HydrophobicContact CG2-CD2 4.07Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.04Å; S179-F183 WeakPolarHBondContact O-CB 3.47Å; S179-F183 PolarHBondContact O-N 3.3Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 3Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.48Å; F183-L186 HydrophobicContact CD2-CD2 4.42Å; F183-L186 HydrophobicContact CE2-CD2 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.42Å; F183-L186 PolarHBondContact O-N 3.2Å; F183-Y187 HydrophobicContact CE1-CD2 4.24Å; F183-Y187 WeakPolarHBondContact O-CB 3.31Å; F183-Y187 PolarHBondContact O-N 3.09Å
184K97.9Very high97.2Very high22 Ų2259 Ų5910%0.09634%0.337CS..Hα-helixtrans-63.7-34.9173.3-73.7-179.2-57.9-161.80112.6L144 L147 S148 P180 N181 L182 R188L144-K184 HydrophobicContact CG-CG 4.19Å; L147-K184 HydrophobicContact CB-CD 3.88Å; L147-K184 HydrophobicContact CB-CG 3.96Å; L147-K184 HydrophobicContact CD1-CG 4.13Å; L147-K184 PolarHBondContact O-NZ 3.08Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.42Å; S148-K184 PolarHBondContact OG-NZ 3.09Å; P180-K184 WeakPolarHBondContact O-CB 3.1Å; P180-K184 VanDerWaalsContact O-CE 3.32Å; P180-K184 WeakPolarHBondContact O-CE 3.34Å; P180-K184 WeakPolarHBondContact O-CG 3.48Å; P180-K184 PolarHBondContact O-N 2.92Å; N181-K184 PolarHBondContact O-N 3.5Å; N181-K184 PolarHBondContact OD1-NZ 3.38Å; L182-K184 PolarHBondContact O-N 3.23Å; K184-R188 VanDerWaalsContact O-CG 3.32Å; K184-R188 WeakPolarHBondContact O-CG 3.39Å; K184-R188 PolarHBondContact O-N 2.94Å; K184-R188 VanDerWaalsContact O-N 3.07Å
185Q98Very high97.1Very high118 Ų11867.1 Ų67.155%0.55138%0.376SS*.Hα-helixtrans-66.8-47.2174-71.1172.5-200111N181 L182 F183 Y187 R188 S189N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 2.94Å; N181-Q185 VanDerWaalsContact O-N 3.13Å; L182-Q185 WeakPolarHBondContact O-CB 3.16Å; L182-Q185 PolarHBondContact O-N 3.36Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.48Å; Q185-Y187 PolarHBondContact O-N 3.39Å; Q185-R188 PolarHBondContact O-N 3.15Å; Q185-S189 PolarHBondContact O-N 3.04Å
186L98.3Very high97.1Very high67 Ų6762.5 Ų62.535%0.35134%0.344SS..Hα-helixtrans-54.9-51.1173.3172.263.9000111.1L182 F183 R188 S189 R190L182-L186 PolarHBondContact O-N 2.87Å; F183-L186 HydrophobicContact CD2-CD2 4.42Å; F183-L186 HydrophobicContact CE2-CD2 4.41Å; F183-L186 WeakPolarHBondContact O-CB 3.42Å; F183-L186 PolarHBondContact O-N 3.2Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 2.85Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.76Å; L186-R190 HydrophobicContact CD1-CG 4.11Å; L186-R190 HydrophobicContact CG-CG 4.47Å; L186-R190 VanDerWaalsContact O-CG 3.29Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.36Å
187Y98.6Very high97.2Very high0 Ų063.9 Ų63.90%034%0.344CS..Hα-helixtrans-59.5-44.1-178.5-167.4-78.6000111.8I83 F85 L89 A139 L144 F183 Q185 R190 M191I83-Y187 HydrophobicContact CB-CE1 4.43Å; I83-Y187 HydrophobicContact CB-CE2 4.09Å; I83-Y187 WeakPolarHBondContact CD1-OH 3.39Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.16Å; F85-Y187 HydrophobicContact CE2-CD2 4.23Å; L89-Y187 HydrophobicContact CD1-CD2 3.82Å; L89-Y187 HydrophobicContact CD1-CE2 3.51Å; A139-Y187 VanDerWaalsContact CB-OH 3.28Å; A139-Y187 WeakPolarHBondContact CB-OH 3.47Å; L144-Y187 HydrophobicContact CD1-CD1 3.52Å; L144-Y187 HydrophobicContact CD1-CD2 4.25Å; L144-Y187 HydrophobicContact CD1-CE1 3.9Å; L144-Y187 HydrophobicContact CD1-CG 3.71Å; L144-Y187 HydrophobicContact CD2-CD1 4.03Å; L144-Y187 HydrophobicContact CD2-CE1 4.49Å; L144-Y187 HydrophobicContact CG-CD1 4.44Å; F183-Y187 HydrophobicContact CE1-CD2 4.24Å; F183-Y187 WeakPolarHBondContact O-CB 3.31Å; F183-Y187 PolarHBondContact O-N 3.09Å; Q185-Y187 PolarHBondContact O-N 3.39Å; Y187-R190 PolarHBondContact O-N 3.08Å; Y187-M191 WeakPolarHBondContact O-CB 3.43Å; Y187-M191 PolarHBondContact O-N 3.08Å
188R98.3Very high97.1Very high76 Ų7665.6 Ų65.629%0.28736%0.36SS..Hα-helixtrans-62.9-43.4175.6-73.2-177.7-170.9109.7-0.1112.1L144 K184 Q185 L186 R190 M191 N192L144-R188 HydrophobicContact CD2-CG 4.27Å; K184-R188 VanDerWaalsContact O-CG 3.32Å; K184-R188 WeakPolarHBondContact O-CG 3.39Å; K184-R188 PolarHBondContact O-N 2.94Å; K184-R188 VanDerWaalsContact O-N 3.07Å; Q185-R188 PolarHBondContact O-N 3.15Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 2.85Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.48Å; R188-M191 PolarHBondContact O-N 2.8Å; R188-N192 WeakPolarHBondContact O-CB 3.42Å; R188-N192 PolarHBondContact O-N 3.45Å; R188-N192 PolarHBondContact O-ND2 2.6Å; R188-N192 PolarHBondContact O-OD1 3.02Å
189S98.2Very high97.2Very high77 Ų7766.2 Ų66.254%0.53835%0.348SS..Hα-helixtrans-59.6-42.9176.11730000111.8Q185 L186 N192 S193Q185-S189 PolarHBondContact O-N 3.04Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.76Å; S189-N192 PolarHBondContact O-N 3.18Å; S189-S193 PolarHBondContact O-N 2.88Å
190R98.4Very high97.2Very high120 Ų12067.6 Ų67.645%0.45335%0.351SS..Hα-helixtrans-64.2-43.1175.2-66.5-70.5-179176.52.8112.6P82 I83 F85 L186 Y187 R188 N192 S193P82-R190 HydrophobicContact CB-CB 4.49Å; P82-R190 VanDerWaalsContact O-CB 3.26Å; P82-R190 WeakPolarHBondContact O-CB 3.41Å; I83-R190 HydrophobicContact CG2-CB 4.42Å; F85-R190 HydrophobicContact CE2-CG 4.25Å; F85-R190 HydrophobicContact CZ-CG 3.98Å; L186-R190 HydrophobicContact CD1-CG 4.11Å; L186-R190 HydrophobicContact CG-CG 4.47Å; L186-R190 VanDerWaalsContact O-CG 3.29Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.36Å; Y187-R190 PolarHBondContact O-N 3.08Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.48Å; R190-N192 VanDerWaalsContact C-N 3.31Å; R190-N192 PolarHBondContact O-N 3.45Å; R190-S193 PolarHBondContact O-N 3.1Å; R190-S193 VanDerWaalsContact O-N 3.15Å; R190-S193 PolarHBondContact O-OG 3.4Å
191M97.4Very high97.4Very high0 Ų067.3 Ų67.30%034%0.344CS..Hα-helixtrans-63.6-36.9175.6-171.5173.668.400112.3L19 I23 I83 V136 Y140 Y187 R188 S193 V194L19-M191 HydrophobicContact CD2-CG 3.98Å; L19-M191 HydrophobicContact CG-CG 4.42Å; I23-M191 HydrophobicContact CD1-CE 4.1Å; I23-M191 HydrophobicContact CD1-SD 3.96Å; I83-M191 HydrophobicContact CG2-CB 4.01Å; V136-M191 HydrophobicContact CG1-CG 3.58Å; V136-M191 HydrophobicContact CG1-SD 3.55Å; V136-M191 VanDerWaalsContact CG1-SD 3.55Å; Y140-M191 HydrophobicContact CD2-CE 3.39Å; Y140-M191 HydrophobicContact CD2-SD 3.65Å; Y140-M191 HydrophobicContact CE2-CE 3.7Å; Y140-M191 HydrophobicContact CG-CE 4.35Å; Y140-M191 HydrophobicContact CG-SD 4.2Å; Y187-M191 WeakPolarHBondContact O-CB 3.43Å; Y187-M191 PolarHBondContact O-N 3.08Å; R188-M191 PolarHBondContact O-N 2.8Å; M191-S193 PolarHBondContact O-N 3.22Å; M191-V194 WeakPolarHBondContact O-CB 3.31Å; M191-V194 WeakPolarHBondContact O-CG2 3.45Å; M191-V194 PolarHBondContact O-N 3.22Å
192N97.7Very high97.4Very high39 Ų3966.3 Ų66.321%0.20934%0.339CS..Hα-helixtrans-67.8-22.2176.4-64.9-14.7000112.7D18 L19 S20 R188 S189 R190 V194D18-N192 HydrophobicContact CB-CB 4.46Å; D18-N192 WeakPolarHBondContact CB-ND2 3.46Å; D18-N192 VanDerWaalsContact CG-CG 3.49Å; D18-N192 PolarHBondContact OD2-ND2 3.38Å; L19-N192 PolarHBondContact N-OD1 3.44Å; S20-N192 WeakPolarHBondContact CB-OD1 3.3Å; S20-N192 PolarHBondContact N-OD1 3.5Å; S20-N192 PolarHBondContact OG-ND2 3.03Å; S20-N192 PolarHBondContact OG-OD1 2.81Å; R188-N192 WeakPolarHBondContact O-CB 3.42Å; R188-N192 PolarHBondContact O-N 3.45Å; R188-N192 PolarHBondContact O-ND2 2.6Å; R188-N192 PolarHBondContact O-OD1 3.02Å; S189-N192 PolarHBondContact O-N 3.18Å; R190-N192 VanDerWaalsContact C-N 3.31Å; R190-N192 PolarHBondContact O-N 3.45Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 PolarHBondContact O-N 3.3Å
193S96.8Very high97.5Very high72 Ų7261.4 Ų61.450%0.50332%0.316SS..THydrogen-bonded Turntrans-80.2-4.3175.172.20000114.4S189 R190 M191 E195S189-S193 PolarHBondContact O-N 2.88Å; R190-S193 PolarHBondContact O-N 3.1Å; R190-S193 VanDerWaalsContact O-N 3.15Å; R190-S193 PolarHBondContact O-OG 3.4Å; M191-S193 PolarHBondContact O-N 3.22Å; S193-E195 PolarHBondContact O-N 3.37Å
194V96.7Very high97.5Very high4 Ų460.5 Ų60.52%0.02431%0.312CS..  trans-72.1117.9177.3177.60000109.6A79 P82 M191 N192 L196A79-V194 HydrophobicContact CB-CG1 3.69Å; P82-V194 HydrophobicContact CB-CG2 4.23Å; P82-V194 HydrophobicContact CG-CG2 4.07Å; M191-V194 WeakPolarHBondContact O-CB 3.31Å; M191-V194 WeakPolarHBondContact O-CG2 3.45Å; M191-V194 PolarHBondContact O-N 3.22Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 PolarHBondContact O-N 3.3Å; V194-L196 HydrophobicContact CG1-CD1 4.42Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.89Å
195E95.7Very high97.5Very high189 Ų18960.4 Ų60.488%0.88331%0.312SS*.  trans-79120.7174.9-63.1-176.2168.900109.7S193S193-E195 PolarHBondContact O-N 3.37Å
196L96.4Very high97.5Very high29 Ų2960.6 Ų60.615%0.15231%0.313CS..  trans-132.9143.6179-60.3174.4000109.1L19 A79 E133 V194 E200 R201 V204L19-L196 HydrophobicContact CD2-CD1 3.94Å; A79-L196 HydrophobicContact CB-CD2 4.34Å; E133-L196 HydrophobicContact CB-CD2 4.08Å; V194-L196 HydrophobicContact CG1-CD1 4.42Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.89Å; L196-E200 HydrophobicContact CB-CB 4.1Å; L196-E200 HydrophobicContact CD2-CB 4.11Å; L196-R201 HydrophobicContact CB-CB 4.23Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; L196-V204 HydrophobicContact CD1-CG2 4.01Å
197T96.4Very high97.6Very high70 Ų7057.4 Ų57.443%0.42930%0.296SS..  trans-61.5165.7161.561.40000110.7E199 E200 R201T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.69Å; T197-E200 WeakPolarHBondContact CB-OE2 3.19Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E200 PolarHBondContact N-OE2 3.18Å; T197-E200 WeakPolarHBondContact OG1-CB 3.48Å; T197-E200 WeakPolarHBondContact OG1-CG 3.26Å; T197-E200 PolarHBondContact OG1-N 3.05Å; T197-E200 PolarHBondContact OG1-OE2 3.3Å; T197-R201 VanDerWaalsContact O-CB 3.28Å; T197-R201 WeakPolarHBondContact O-CB 3.39Å; T197-R201 PolarHBondContact O-N 3.38Å
198A95.2Very high97.6Very high50 Ų5057.4 Ų57.441%0.41330%0.296SS..Hα-helixtrans-62.8-37.7177.500000111.4N202A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.31Å; A198-N202 PolarHBondContact O-ND2 3.15Å
199E96.7Very high97.6Very high143 Ų14356 Ų5667%0.66830%0.296SS*.Hα-helixtrans-65.9-50.3178.4-65.770.6-156.800111.4T197 R201 N202 G203T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 PolarHBondContact O-N 2.69Å; E199-R201 VanDerWaalsContact C-N 3.33Å; E199-R201 PolarHBondContact O-N 3.1Å; E199-N202 PolarHBondContact O-N 2.85Å; E199-G203 PolarHBondContact O-N 3.43Å
200E97.7Very high97.6Very high66 Ų6656.5 Ų56.531%0.30829%0.286SS..Hα-helixtrans-61.3-43176.7-71.6162.514600111.3E133 L196 T197 N202 G203 V204E133-E200 HydrophobicContact CG-CB 4.29Å; E133-E200 HydrophobicContact CG-CG 4.23Å; L196-E200 HydrophobicContact CB-CB 4.1Å; L196-E200 HydrophobicContact CD2-CB 4.11Å; T197-E200 WeakPolarHBondContact CB-OE2 3.19Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E200 PolarHBondContact N-OE2 3.18Å; T197-E200 WeakPolarHBondContact OG1-CB 3.48Å; T197-E200 WeakPolarHBondContact OG1-CG 3.26Å; T197-E200 PolarHBondContact OG1-N 3.05Å; T197-E200 PolarHBondContact OG1-OE2 3.3Å; E200-N202 PolarHBondContact O-N 3.29Å; E200-G203 PolarHBondContact O-N 3.26Å; E200-V204 WeakPolarHBondContact O-CG2 3.44Å; E200-V204 PolarHBondContact O-N 3.11Å
201R97.9Very high97.6Very high36 Ų3650.8 Ų50.814%0.13626%0.264CS..Hα-helixtrans-58-49.5177179.7178.4-62.7-89.1-8.6111.3L19 L196 T197 E199 G203 V204 L205L19-R201 HydrophobicContact CD1-CG 4.35Å; L196-R201 HydrophobicContact CB-CB 4.23Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; T197-R201 VanDerWaalsContact O-CB 3.28Å; T197-R201 WeakPolarHBondContact O-CB 3.39Å; T197-R201 PolarHBondContact O-N 3.38Å; E199-R201 VanDerWaalsContact C-N 3.33Å; E199-R201 PolarHBondContact O-N 3.1Å; R201-G203 VanDerWaalsContact C-N 3.29Å; R201-G203 PolarHBondContact O-N 3.4Å; R201-V204 PolarHBondContact O-N 3.29Å; R201-L205 WeakPolarHBondContact O-CG 3.29Å; R201-L205 PolarHBondContact O-N 2.91Å; R201-L205 VanDerWaalsContact O-N 3.07Å
202N97.8Very high97.7Very high84 Ų8451.7 Ų51.745%0.44927%0.268SS..Hα-helixtrans-60.6-41.8177.1-70.9-24.9000111.1A198 E199 E200 V204 L205 E206A198-N202 VanDerWaalsContact O-CG 3.24Å; A198-N202 PolarHBondContact O-N 3.31Å; A198-N202 PolarHBondContact O-ND2 3.15Å; E199-N202 PolarHBondContact O-N 2.85Å; E200-N202 PolarHBondContact O-N 3.29Å; N202-V204 PolarHBondContact O-N 3.46Å; N202-L205 PolarHBondContact O-N 3.08Å; N202-E206 WeakPolarHBondContact O-CG 3.35Å; N202-E206 PolarHBondContact O-N 2.93Å
203G98.4Very high97.7Very high9 Ų952 Ų529%0.09327%0.268CS..Hα-helixtrans-58.9-42.2174.800000113.4F134 E199 E200 R201 E206 E207F134-G203 VanDerWaalsContact CE1-C 3.42Å; E199-G203 PolarHBondContact O-N 3.43Å; E200-G203 PolarHBondContact O-N 3.26Å; R201-G203 VanDerWaalsContact C-N 3.29Å; R201-G203 PolarHBondContact O-N 3.4Å; G203-E206 PolarHBondContact O-N 3.18Å; G203-E207 WeakPolarHBondContact O-CB 3.39Å; G203-E207 PolarHBondContact O-N 3.12Å
204V98.6Very high97.8Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-62.3-42.5174.9169.70000111.3L19 I23 F134 A137 L196 E200 R201 N202 E207 A208L19-V204 HydrophobicContact CD1-CG1 4.19Å; I23-V204 HydrophobicContact CD1-CG1 4.01Å; F134-V204 HydrophobicContact CD1-CG2 3.73Å; F134-V204 HydrophobicContact CE1-CG2 4.22Å; A137-V204 HydrophobicContact CB-CG1 4.24Å; L196-V204 HydrophobicContact CD1-CG2 4.01Å; E200-V204 WeakPolarHBondContact O-CG2 3.44Å; E200-V204 PolarHBondContact O-N 3.11Å; R201-V204 PolarHBondContact O-N 3.29Å; N202-V204 PolarHBondContact O-N 3.46Å; V204-E207 PolarHBondContact O-N 3.44Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.38Å
205L98.6Very high97.9Very high19 Ų1949.8 Ų49.810%0.09925%0.25CC..Hα-helixtrans-63.7-44.3178.2-63.8-178.4000111.7L19 Q22 I23 V26 R201 N202 A208 V209L19-L205 HydrophobicContact CD1-CD2 4.2Å; Q22-L205 HydrophobicContact CB-CD1 4.26Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å; I23-L205 HydrophobicContact CB-CD2 4.49Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.2Å; R201-L205 WeakPolarHBondContact O-CG 3.29Å; R201-L205 PolarHBondContact O-N 2.91Å; R201-L205 VanDerWaalsContact O-N 3.07Å; N202-L205 PolarHBondContact O-N 3.08Å; L205-A208 PolarHBondContact O-N 3.47Å; L205-V209 PolarHBondContact O-N 3Å
206E98.7Very high98Very high123 Ų12341.5 Ų41.558%0.57521%0.211SC*.Hα-helixtrans-65.1-39.5175.1-70.2179-175.200112.1N202 G203 A208 V209 R210N202-E206 WeakPolarHBondContact O-CG 3.35Å; N202-E206 PolarHBondContact O-N 2.93Å; G203-E206 PolarHBondContact O-N 3.18Å; E206-A208 VanDerWaalsContact C-N 3.31Å; E206-V209 PolarHBondContact O-N 3.5Å; E206-R210 WeakPolarHBondContact O-CG 3.46Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.3Å
207E98.8Very high98.1Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-66-34.9175.2-161.972.7-150.700111.5R123 F134 A137 H138 G203 V204 V209 R210 A211R123-E207 IonicContact CZ-OE1 3.58Å; R123-E207 IonicContact CZ-OE2 2.68Å; R123-E207 IonicContact NE-OE1 3.14Å; R123-E207 PolarHBondContact NE-OE1 3.13Å; R123-E207 IonicContact NE-OE2 2.81Å; R123-E207 PolarHBondContact NE-OE2 3.19Å; R123-E207 IonicContact NH2-OE1 2.84Å; R123-E207 IonicContact NH2-OE2 3.48Å; R123-E207 PolarHBondContact NH2-OE2 3.32Å; F134-E207 HydrophobicContact CB-CB 4.31Å; F134-E207 HydrophobicContact CB-CG 4.1Å; F134-E207 HydrophobicContact CG-CB 4.38Å; A137-E207 HydrophobicContact CB-CB 3.91Å; A137-E207 HydrophobicContact CB-CG 4.19Å; H138-E207 IonicContact CE1-OE1 3.2Å; H138-E207 VanDerWaalsContact NE2-CG 3.34Å; H138-E207 WeakPolarHBondContact NE2-CG 3.35Å; H138-E207 IonicContact NE2-OE1 3.87Å; H138-E207 PolarHBondContact NE2-OE1 2.96Å; H138-E207 VanDerWaalsContact NE2-OE1 3.14Å; G203-E207 WeakPolarHBondContact O-CB 3.39Å; G203-E207 PolarHBondContact O-N 3.12Å; V204-E207 PolarHBondContact O-N 3.44Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; E207-R210 CarbonylContact O-C 3.52Å; E207-R210 WeakPolarHBondContact O-CA 3.49Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 2.81Å; E207-R210 VanDerWaalsContact O-N 3.14Å; E207-R210 IonicContact OE2-CZ 2.93Å; E207-R210 IonicContact OE2-NE 3.15Å; E207-R210 PolarHBondContact OE2-NE 3.23Å; E207-R210 IonicContact OE2-NH1 3.64Å; E207-R210 PolarHBondContact OE2-NH1 2.91Å; E207-R210 VanDerWaalsContact OE2-NH1 3.15Å; E207-R210 IonicContact OE2-NH2 3.24Å; E207-R210 PolarHBondContact OE2-NH2 2.93Å; E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.31Å
208A98.7Very high98.2Very high0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-63.1-42177.200000111.5I23 T27 A137 V204 L205 E206 A211 F212I23-A208 HydrophobicContact CG1-CB 4.37Å; I23-A208 HydrophobicContact CG2-CB 3.82Å; T27-A208 HydrophobicContact CG2-CB 3.72Å; A137-A208 HydrophobicContact CB-CB 3.96Å; V204-A208 WeakPolarHBondContact O-CB 3.49Å; V204-A208 PolarHBondContact O-N 3.38Å; L205-A208 PolarHBondContact O-N 3.47Å; E206-A208 VanDerWaalsContact C-N 3.31Å; A208-A211 WeakPolarHBondContact O-CB 3.41Å; A208-A211 PolarHBondContact O-N 3.18Å; A208-F212 WeakPolarHBondContact O-CD2 3.35Å; A208-F212 PolarHBondContact O-N 3.37Å
209V98.8Very high98.4Very high45 Ų4538.6 Ų38.627%0.27318%0.183SC..Hα-helixtrans-61.5-45.9172.2177.70000110.4V26 T27 L205 E206 E207 A211 F212 E213V26-V209 HydrophobicContact CB-CG2 4.31Å; V26-V209 HydrophobicContact CG2-CG2 4.15Å; T27-V209 HydrophobicContact CG2-CG2 4.4Å; L205-V209 PolarHBondContact O-N 3Å; E206-V209 PolarHBondContact O-N 3.5Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 2.91Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.03Å; V209-F212 PolarHBondContact O-N 3.31Å; V209-F212 VanDerWaalsContact O-N 3.15Å; V209-E213 PolarHBondContact O-N 2.88Å; V209-E213 VanDerWaalsContact O-N 3.08Å
210R98.7Very high98.4Very high88 Ų8834.8 Ų34.833%0.33217%0.168SC..Hα-helixtrans-59.4-38.3176.1-75-177.8-84.7178.8-6.6112.8R123 E206 E207 F212 E213 F214R123-R210 VanDerWaalsContact NH2-NH1 3.13Å; E206-R210 WeakPolarHBondContact O-CG 3.46Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.3Å; E207-R210 CarbonylContact O-C 3.52Å; E207-R210 WeakPolarHBondContact O-CA 3.49Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 2.81Å; E207-R210 VanDerWaalsContact O-N 3.14Å; E207-R210 IonicContact OE2-CZ 2.93Å; E207-R210 IonicContact OE2-NE 3.15Å; E207-R210 PolarHBondContact OE2-NE 3.23Å; E207-R210 IonicContact OE2-NH1 3.64Å; E207-R210 PolarHBondContact OE2-NH1 2.91Å; E207-R210 VanDerWaalsContact OE2-NH1 3.15Å; E207-R210 IonicContact OE2-NH2 3.24Å; E207-R210 PolarHBondContact OE2-NH2 2.93Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.4Å; R210-E213 WeakPolarHBondContact O-CB 3.28Å; R210-E213 PolarHBondContact O-N 3.38Å; R210-E213 VanDerWaalsContact O-N 3.09Å; R210-F214 HydrophobicContact CB-CE2 4.34Å; R210-F214 WeakPolarHBondContact O-CD2 3.48Å; R210-F214 PolarHBondContact O-N 3.28Å
211A98.8Very high98.4Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-58.8-41.5176.700000111.3H138 T141 E207 A208 V209 N215H138-A211 WeakPolarHBondContact ND1-CB 3.36Å; T141-A211 HydrophobicContact CG2-CB 4.03Å; E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.31Å; A208-A211 WeakPolarHBondContact O-CB 3.41Å; A208-A211 PolarHBondContact O-N 3.18Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.03Å; A211-N215 PolarHBondContact O-N 3.14Å; A211-N215 PolarHBondContact O-ND2 2.83Å
212F98.3Very high98.3Very high20 Ų2030.6 Ų30.69%0.08815%0.153CC..Hα-helixtrans-66.4-42172.1-83.2-90.6000112.3T27 S30 H31 A34 T141 A208 V209 R210 F214 N215 I216T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å; S30-F212 VanDerWaalsContact CB-CB 3.49Å; H31-F212 HydrophobicContact CB-CD1 4.36Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.1Å; H31-F212 AromaticContact CD2-CE1 3.76Å; H31-F212 AromaticContact CD2-CZ 3.92Å; A34-F212 HydrophobicContact CB-CD1 4.12Å; T141-F212 HydrophobicContact CG2-CD2 3.76Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.62Å; T141-F212 HydrophobicContact CG2-CG 4.23Å; T141-F212 HydrophobicContact CG2-CZ 3.99Å; A208-F212 WeakPolarHBondContact O-CD2 3.35Å; A208-F212 PolarHBondContact O-N 3.37Å; V209-F212 PolarHBondContact O-N 3.31Å; V209-F212 VanDerWaalsContact O-N 3.15Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.4Å; F212-F214 VanDerWaalsContact C-N 3.29Å; F212-F214 PolarHBondContact O-N 3.3Å; F212-N215 WeakPolarHBondContact O-CB 3.01Å; F212-N215 PolarHBondContact O-N 3.44Å; F212-N215 VanDerWaalsContact O-N 3.09Å; F212-I216 WeakPolarHBondContact O-CG1 3.46Å; F212-I216 PolarHBondContact O-N 3.49Å
213E98.6Very high98.1Very high44 Ų4428.4 Ų28.421%0.20614%0.14CC..Hα-helixtrans-59.6-40176-62.6-40.3114.300112.5S30 R33 V209 R210 N215 I216 Q217S30-E213 PolarHBondContact OG-OE1 2.87Å; R33-E213 IonicContact CZ-OE1 3.43Å; R33-E213 IonicContact CZ-OE2 3.49Å; R33-E213 IonicContact NH1-OE1 3.51Å; R33-E213 IonicContact NH1-OE2 2.81Å; R33-E213 PolarHBondContact NH1-OE2 3.24Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.08Å; R33-E213 IonicContact NH2-OE2 3.25Å; R33-E213 PolarHBondContact NH2-OE2 2.84Å; V209-E213 PolarHBondContact O-N 2.88Å; V209-E213 VanDerWaalsContact O-N 3.08Å; R210-E213 WeakPolarHBondContact O-CB 3.28Å; R210-E213 PolarHBondContact O-N 3.38Å; R210-E213 VanDerWaalsContact O-N 3.09Å; E213-N215 VanDerWaalsContact C-N 3.35Å; E213-N215 PolarHBondContact O-N 3.45Å; E213-I216 PolarHBondContact O-N 3.4Å; E213-Q217 WeakPolarHBondContact O-CB 3.46Å; E213-Q217 WeakPolarHBondContact O-CG 3.34Å; E213-Q217 PolarHBondContact O-N 2.97Å
214F98.8Very high97.9Very high22 Ų2235 Ų3510%0.09617%0.166CC..Hα-helixtrans-62.3-42.4174.4-76.8-65.4000111.9R119 Y120 R123 R210 F212 Q217 V218R119-F214 HydrophobicContact CB-CE1 4.46Å; Y120-F214 HydrophobicContact CD1-CB 3.45Å; Y120-F214 VanDerWaalsContact CD1-CB 3.45Å; Y120-F214 HydrophobicContact CD1-CG 4.3Å; Y120-F214 HydrophobicContact CD2-CB 3.84Å; Y120-F214 HydrophobicContact CD2-CD1 4.41Å; Y120-F214 HydrophobicContact CD2-CD2 4.06Å; Y120-F214 AromaticContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CD2-CG 3.87Å; Y120-F214 HydrophobicContact CE1-CB 3.66Å; Y120-F214 HydrophobicContact CE2-CB 4.11Å; Y120-F214 HydrophobicContact CE2-CD2 4.26Å; Y120-F214 HydrophobicContact CE2-CG 4.35Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.2Å; Y120-F214 AromaticContact CG-CG 3.87Å; Y120-F214 HydrophobicContact CG-CG 3.87Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.99Å; R123-F214 HydrophobicContact CB-CZ 3.72Å; R123-F214 HydrophobicContact CG-CE2 3.71Å; R123-F214 HydrophobicContact CG-CZ 3.85Å; R210-F214 HydrophobicContact CB-CE2 4.34Å; R210-F214 WeakPolarHBondContact O-CD2 3.48Å; R210-F214 PolarHBondContact O-N 3.28Å; F212-F214 VanDerWaalsContact C-N 3.29Å; F212-F214 PolarHBondContact O-N 3.3Å; F214-Q217 PolarHBondContact O-N 3.31Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 3.22Å
215N98.3Very high97.7Very high9 Ų937.6 Ų37.65%0.04818%0.179CC..Hα-helixtrans-61.9-45.2176.1-78.8-83.2000111.6R142 A211 F212 E213 Q217 V218 F219R142-N215 PolarHBondContact NH1-OD1 3.08Å; A211-N215 PolarHBondContact O-N 3.14Å; A211-N215 PolarHBondContact O-ND2 2.83Å; F212-N215 WeakPolarHBondContact O-CB 3.01Å; F212-N215 PolarHBondContact O-N 3.44Å; F212-N215 VanDerWaalsContact O-N 3.09Å; E213-N215 VanDerWaalsContact C-N 3.35Å; E213-N215 PolarHBondContact O-N 3.45Å; N215-Q217 PolarHBondContact O-N 3.26Å; N215-V218 PolarHBondContact O-N 2.89Å; N215-F219 HydrophobicContact CB-CE2 4.3Å; N215-F219 HydrophobicContact CB-CZ 4.42Å; N215-F219 WeakPolarHBondContact O-CD2 3.44Å; N215-F219 VanDerWaalsContact O-CG 3.23Å; N215-F219 WeakPolarHBondContact O-CG 3.46Å; N215-F219 PolarHBondContact O-N 3.38Å
216I98.5Very high97.2Very high14 Ų1438.4 Ų38.47%0.07218%0.183CC..Hα-helixtrans-57.6-49.9176.2-68.8164.3000110.4R33 A34 T37 F212 E213 V218 F219 D220R33-I216 HydrophobicContact CB-CD1 3.88Å; A34-I216 HydrophobicContact CB-CD1 4.27Å; A34-I216 HydrophobicContact CB-CG1 3.83Å; T37-I216 HydrophobicContact CG2-CB 4.46Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.05Å; F212-I216 WeakPolarHBondContact O-CG1 3.46Å; F212-I216 PolarHBondContact O-N 3.49Å; E213-I216 PolarHBondContact O-N 3.4Å; I216-V218 VanDerWaalsContact C-N 3.28Å; I216-V218 PolarHBondContact O-N 3.18Å; I216-F219 PolarHBondContact O-N 2.78Å; I216-F219 VanDerWaalsContact O-N 3.13Å; I216-D220 PolarHBondContact O-N 3.37Å
217Q98.7Very high96.6Very high68 Ų6835.3 Ų35.332%0.31818%0.175SC..Hα-helixtrans-62.3-34.9179.9-70.3166.523.600112.6A116 E213 F214 N215 G221A116-Q217 HydrophobicContact CB-CB 4.04Å; A116-Q217 VanDerWaalsContact CB-O 3.3Å; A116-Q217 WeakPolarHBondContact CB-O 3.47Å; E213-Q217 WeakPolarHBondContact O-CB 3.46Å; E213-Q217 WeakPolarHBondContact O-CG 3.34Å; E213-Q217 PolarHBondContact O-N 2.97Å; F214-Q217 PolarHBondContact O-N 3.31Å; N215-Q217 PolarHBondContact O-N 3.26Å; Q217-G221 PolarHBondContact O-N 3.24Å
218V98.6Very high95.8Very high2 Ų239.1 Ų39.11%0.01220%0.199CC..Hα-helixtrans-64.9-48.4173.1167.70000110.4I63 A116 Y120 F214 N215 I216 D220 G221 L222I63-V218 HydrophobicContact CD1-CG1 4.44Å; I63-V218 HydrophobicContact CD1-CG2 4.17Å; A116-V218 HydrophobicContact CB-CG2 4.1Å; Y120-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 3.22Å; N215-V218 PolarHBondContact O-N 2.89Å; I216-V218 VanDerWaalsContact C-N 3.28Å; I216-V218 PolarHBondContact O-N 3.18Å; V218-D220 PolarHBondContact O-N 3.43Å; V218-G221 PolarHBondContact O-N 3Å; V218-L222 HydrophobicContact CG1-CD1 4Å; V218-L222 HydrophobicContact CG1-CG 4.42Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.35Å; V218-L222 PolarHBondContact O-N 3.42Å
219F97.7Very high94.7Very high18 Ų1841.4 Ų41.48%0.07922%0.217CC..Hα-helixtrans-60.4-43.9178.3-59.6-26.6000112.2T37 L39 M40 L56 N215 I216 G221 L222 Q223T37-F219 HydrophobicContact CG2-CB 4.31Å; T37-F219 HydrophobicContact CG2-CD2 4.21Å; L39-F219 HydrophobicContact CB-CB 4.31Å; L39-F219 HydrophobicContact CD2-CB 4.31Å; L39-F219 HydrophobicContact CD2-CD1 3.84Å; L39-F219 HydrophobicContact CD2-CG 4.31Å; M40-F219 HydrophobicContact CE-CD1 4.25Å; M40-F219 HydrophobicContact CE-CD2 4.44Å; M40-F219 HydrophobicContact CE-CE1 4.01Å; M40-F219 HydrophobicContact CE-CE2 4.21Å; M40-F219 HydrophobicContact CE-CG 4.47Å; M40-F219 HydrophobicContact CE-CZ 3.99Å; M40-F219 HydrophobicContact CG-CD2 4.01Å; M40-F219 HydrophobicContact CG-CE2 3.88Å; M40-F219 HydrophobicContact SD-CE2 4.15Å; M40-F219 HydrophobicContact SD-CZ 4.22Å; L56-F219 HydrophobicContact CD1-CD1 4.36Å; L56-F219 HydrophobicContact CD1-CE1 3.94Å; N215-F219 HydrophobicContact CB-CE2 4.3Å; N215-F219 HydrophobicContact CB-CZ 4.42Å; N215-F219 WeakPolarHBondContact O-CD2 3.44Å; N215-F219 VanDerWaalsContact O-CG 3.23Å; N215-F219 WeakPolarHBondContact O-CG 3.46Å; N215-F219 PolarHBondContact O-N 3.38Å; I216-F219 PolarHBondContact O-N 2.78Å; I216-F219 VanDerWaalsContact O-N 3.13Å; F219-G221 VanDerWaalsContact C-N 3.35Å; F219-G221 PolarHBondContact O-N 3.12Å; F219-L222 HydrophobicContact CD1-CD1 4.5Å; F219-L222 PolarHBondContact O-N 3.05Å; F219-Q223 PolarHBondContact O-N 3.27Å; F219-Q223 VanDerWaalsContact O-N 3.08Å
220D97.4Very high93.3Very high64 Ų6440.5 Ų40.534%0.34222%0.217SC..Hα-helixtrans-64.9-39.5175.6-68.6-16000111.9I216 V218 Q223 K224I216-D220 PolarHBondContact O-N 3.37Å; V218-D220 PolarHBondContact O-N 3.43Å; D220-Q223 PolarHBondContact O-N 3.39Å; D220-K224 WeakPolarHBondContact O-CG 3.18Å; D220-K224 PolarHBondContact O-N 3.35Å
221G97.7Very high91.8Very high13 Ų1340.6 Ų40.613%0.13422%0.224CC..Hα-helixtrans-62-44.1176.100000112.5Q217 V218 F219 K224 M225Q217-G221 PolarHBondContact O-N 3.24Å; V218-G221 PolarHBondContact O-N 3Å; F219-G221 VanDerWaalsContact C-N 3.35Å; F219-G221 PolarHBondContact O-N 3.12Å; G221-K224 PolarHBondContact O-N 3.17Å; G221-M225 WeakPolarHBondContact O-CG 3.35Å; G221-M225 PolarHBondContact O-N 3.46Å; G221-M225 VanDerWaalsContact O-N 3.12Å
222L96.3Very high90.1Very high1 Ų146.6 Ų46.61%0.00525%0.252CS..Hα-helixtrans-60.3-46175.8-70.7169.3000111.4L39 L55 L56 P114 V218 F219 K224 M225 L226L39-L222 HydrophobicContact CD2-CB 4.47Å; L39-L222 HydrophobicContact CD2-CD1 3.85Å; L55-L222 HydrophobicContact CB-CD2 3.63Å; L55-L222 WeakPolarHBondContact O-CD2 3.25Å; L56-L222 HydrophobicContact CB-CD1 4.33Å; L56-L222 HydrophobicContact CD1-CD1 4Å; P114-L222 HydrophobicContact CG-CD2 4.29Å; P114-L222 HydrophobicContact CG-CG 4.26Å; V218-L222 HydrophobicContact CG1-CD1 4Å; V218-L222 HydrophobicContact CG1-CG 4.42Å; V218-L222 VanDerWaalsContact O-CG 3.26Å; V218-L222 WeakPolarHBondContact O-CG 3.35Å; V218-L222 PolarHBondContact O-N 3.42Å; F219-L222 HydrophobicContact CD1-CD1 4.5Å; F219-L222 PolarHBondContact O-N 3.05Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 3.22Å; L222-M225 PolarHBondContact O-N 3.21Å; L222-L226 WeakPolarHBondContact O-CD1 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.43Å
223Q93.4Very high88.4Confident38 Ų3852.5 Ų52.518%0.17828%0.28CS..Hα-helixtrans-62.8-39.2179.7-175.962.3900112.5E38 F219 D220 L226 S227E38-Q223 HydrophobicContact CB-CG 4.18Å; E38-Q223 VanDerWaalsContact OE2-CD 3.3Å; E38-Q223 WeakPolarHBondContact OE2-CG 3.43Å; E38-Q223 PolarHBondContact OE2-NE2 2.82Å; F219-Q223 PolarHBondContact O-N 3.27Å; F219-Q223 VanDerWaalsContact O-N 3.08Å; D220-Q223 PolarHBondContact O-N 3.39Å; Q223-L226 PolarHBondContact O-N 3.45Å; Q223-S227 PolarHBondContact O-N 3.13Å; Q223-S227 VanDerWaalsContact O-N 3.08Å; Q223-S227 PolarHBondContact O-OG 3.44Å
224K94.1Very high86.6Confident147 Ų14759.1 Ų59.164%0.63930%0.303SS*.Hα-helixtrans-63.4-44.5174.9-73.4172-175.9176.50112.1D220 G221 L222 L226 S227 V228D220-K224 WeakPolarHBondContact O-CG 3.18Å; D220-K224 PolarHBondContact O-N 3.35Å; G221-K224 PolarHBondContact O-N 3.17Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 3.22Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.13Å; K224-S227 PolarHBondContact O-N 2.92Å; K224-V228 WeakPolarHBondContact O-CG2 3.43Å; K224-V228 PolarHBondContact O-N 3.47Å; K224-V228 VanDerWaalsContact O-N 3.1Å
225M93.9Very high84.5Confident54 Ų5464 Ų6427%0.26633%0.326SS..Hα-helixtrans-58.5-42.7177.7-72.7175.164.100112.1L55 V112 P114 G221 L222 V228 A229L55-M225 HydrophobicContact CD2-CE 4.35Å; V112-M225 HydrophobicContact CB-CE 4.29Å; V112-M225 HydrophobicContact CG1-CE 3.49Å; V112-M225 VanDerWaalsContact CG1-CE 3.49Å; P114-M225 HydrophobicContact CB-SD 3.78Å; P114-M225 HydrophobicContact CG-SD 4.26Å; G221-M225 WeakPolarHBondContact O-CG 3.35Å; G221-M225 PolarHBondContact O-N 3.46Å; G221-M225 VanDerWaalsContact O-N 3.12Å; L222-M225 PolarHBondContact O-N 3.21Å; M225-V228 PolarHBondContact O-N 3.1Å; M225-A229 PolarHBondContact O-N 3.01Å; M225-A229 VanDerWaalsContact O-N 3.13Å
226L88.3Confident82.5Confident36 Ų3666.6 Ų66.619%0.18835%0.345CS..Hα-helixtrans-67.3-39.2178.9-70.2157.8000112.8P51 Q52 L55 L222 Q223 K224 A229 G230P51-L226 HydrophobicContact CB-CD2 4Å; Q52-L226 HydrophobicContact CB-CD1 4.18Å; Q52-L226 HydrophobicContact CG-CD1 3.23Å; Q52-L226 HydrophobicContact CG-CD2 4.42Å; Q52-L226 HydrophobicContact CG-CG 4.43Å; L55-L226 HydrophobicContact CD1-CD1 4.38Å; L55-L226 HydrophobicContact CD1-CD2 3.66Å; L55-L226 HydrophobicContact CD1-CG 3.76Å; L222-L226 WeakPolarHBondContact O-CD1 3.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.43Å; Q223-L226 PolarHBondContact O-N 3.45Å; K224-L226 VanDerWaalsContact C-N 3.3Å; K224-L226 PolarHBondContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 3.5Å; L226-G230 PolarHBondContact O-N 3.14Å
227S87.1Confident80.5Confident58 Ų5868.8 Ų68.841%0.40636%0.362SS..Hα-helixtrans-64-41.1177.6-59.30000111.9Q223 K224 G230 N231Q223-S227 PolarHBondContact O-N 3.13Å; Q223-S227 VanDerWaalsContact O-N 3.08Å; Q223-S227 PolarHBondContact O-OG 3.44Å; K224-S227 PolarHBondContact O-N 2.92Å; S227-G230 PolarHBondContact O-N 2.83Å; S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 2.78Å; S227-N231 VanDerWaalsContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.28Å
228V80.2Confident78.4Confident81 Ų8169.6 Ų69.649%0.49137%0.372SS..Hα-helixtrans-65.5-46.2176.8173.50000111.2K224 M225 G230 N231 Q232K224-V228 WeakPolarHBondContact O-CG2 3.43Å; K224-V228 PolarHBondContact O-N 3.47Å; K224-V228 VanDerWaalsContact O-N 3.1Å; M225-V228 PolarHBondContact O-N 3.1Å; V228-G230 VanDerWaalsContact C-N 3.33Å; V228-G230 PolarHBondContact O-N 3.28Å; V228-N231 PolarHBondContact O-N 3.38Å; V228-Q232 PolarHBondContact O-N 3.18Å; V228-Q232 VanDerWaalsContact O-N 3.12Å
229A76.1Confident76.2Confident47 Ų4774.7 Ų74.739%0.38840%0.399SS..Hα-helixtrans-60.1-42.717800000112.1M225 L226 N231 Q232 Q233M225-A229 PolarHBondContact O-N 3.01Å; M225-A229 VanDerWaalsContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 3.5Å; A229-N231 VanDerWaalsContact C-N 3.35Å; A229-N231 PolarHBondContact O-N 3.08Å; A229-Q232 PolarHBondContact O-N 2.94Å; A229-Q233 PolarHBondContact O-N 2.81Å
230G70.7Confident74Confident26 Ų2677.8 Ų77.827%0.26842%0.423SS..Hα-helixtrans-64.1-35.7176.700000113.6L226 S227 V228 R234L226-G230 PolarHBondContact O-N 3.14Å; S227-G230 PolarHBondContact O-N 2.83Å; V228-G230 VanDerWaalsContact C-N 3.33Å; V228-G230 PolarHBondContact O-N 3.28Å; G230-R234 WeakPolarHBondContact O-CG 3.44Å; G230-R234 PolarHBondContact O-N 3.21Å
231N66.9Low71.7Confident91 Ų9183.1 Ų83.149%0.48744%0.443SS..Hα-helixtrans-70.7-38.8177.9-73-16.2000112.5S227 V228 A229 R234 Q235S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 2.78Å; S227-N231 VanDerWaalsContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.28Å; V228-N231 PolarHBondContact O-N 3.38Å; A229-N231 VanDerWaalsContact C-N 3.35Å; A229-N231 PolarHBondContact O-N 3.08Å; N231-R234 PolarHBondContact O-N 3.42Å; N231-Q235 PolarHBondContact O-N 3.23Å
232Q63.3Low69.3Low126 Ų12686.1 Ų86.159%0.58947%0.467SS*.Hα-helixtrans-65.7-37.4176.1-70.9178.7-15.500112.4V228 A229 S236V228-Q232 PolarHBondContact O-N 3.18Å; V228-Q232 VanDerWaalsContact O-N 3.12Å; A229-Q232 PolarHBondContact O-N 2.94Å; Q232-S236 WeakPolarHBondContact O-CB 3.44Å; Q232-S236 PolarHBondContact O-N 3.05Å; Q232-S236 PolarHBondContact O-OG 3.26Å
233Q61.1Low66.8Low144 Ų14491.8 Ų91.867%0.67350%0.501SS*.Hα-helixtrans-67.6-34.9173.8-75.6-176.7-40.900112.8A229 S236 S237A229-Q233 PolarHBondContact O-N 2.81Å; Q233-S236 WeakPolarHBondContact CA-OG 3.38Å; Q233-S236 PolarHBondContact O-OG 3.04Å; Q233-S237 WeakPolarHBondContact O-CB 3.47Å; Q233-S237 PolarHBondContact O-N 2.99Å; Q233-S237 PolarHBondContact O-OG 3.12Å
234R60.8Low64.3Low182 Ų18298.2 Ų98.269%0.68753%0.531SS*.Hα-helixtrans-70.5-41.4175-73.2179.2-166.8-178.25.5112.4G230 N231 S237 T238G230-R234 WeakPolarHBondContact O-CG 3.44Å; G230-R234 PolarHBondContact O-N 3.21Å; N231-R234 PolarHBondContact O-N 3.42Å; R234-S237 WeakPolarHBondContact CA-OG 3.48Å; R234-S237 PolarHBondContact O-N 2.98Å; R234-S237 PolarHBondContact O-OG 3.46Å; R234-T238 PolarHBondContact O-N 2.83Å; R234-T238 PolarHBondContact O-OG1 3.42Å; R234-T238 VanDerWaalsContact O-OG1 3.07Å
235Q54.6Low61.6Low125 Ų12594.2 Ų94.258%0.58453%0.531SS*.Hα-helixtrans-66.8-43.8178-75.3175.7-15.500112.5N231 S237 T238 D239N231-Q235 PolarHBondContact O-N 3.23Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.41Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.42Å; Q235-T238 PolarHBondContact O-N 2.98Å; Q235-T238 PolarHBondContact O-OG1 3.12Å; Q235-D239 PolarHBondContact O-N 2.85Å
236S56.3Low59.2Low63 Ų63101.3 Ų101.344%0.44156%0.56SS.*Hα-helixtrans-65.2-31.6176.551.80000113.6Q232 Q233 S240Q232-S236 WeakPolarHBondContact O-CB 3.44Å; Q232-S236 PolarHBondContact O-N 3.05Å; Q232-S236 PolarHBondContact O-OG 3.26Å; Q233-S236 WeakPolarHBondContact CA-OG 3.38Å; Q233-S236 PolarHBondContact O-OG 3.04Å; S236-S240 WeakPolarHBondContact O-CB 3.36Å; S236-S240 PolarHBondContact O-N 3.14Å; S236-S240 PolarHBondContact O-OG 3.37Å
237S57.6Low56.6Low60 Ų60106.1 Ų106.142%0.4259%0.591SS.*Hα-helixtrans-78.9-27.4175.254.90000113.7Q233 R234 Q235 K241Q233-S237 WeakPolarHBondContact O-CB 3.47Å; Q233-S237 PolarHBondContact O-N 2.99Å; Q233-S237 PolarHBondContact O-OG 3.12Å; R234-S237 WeakPolarHBondContact CA-OG 3.48Å; R234-S237 PolarHBondContact O-N 2.98Å; R234-S237 PolarHBondContact O-OG 3.46Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.41Å; S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.37Å
238T55Low53.9Low86 Ų86111.2 Ų111.253%0.52861%0.613SS.*Hα-helixtrans-73.6-37.6169.645.50000112.3R234 Q235 K241 A242R234-T238 PolarHBondContact O-N 2.83Å; R234-T238 PolarHBondContact O-OG1 3.42Å; R234-T238 VanDerWaalsContact O-OG1 3.07Å; Q235-T238 WeakPolarHBondContact CA-OG1 3.42Å; Q235-T238 PolarHBondContact O-N 2.98Å; Q235-T238 PolarHBondContact O-OG1 3.12Å; T238-K241 PolarHBondContact O-N 3.38Å; T238-A242 PolarHBondContact O-N 3.3Å
239D50.9Low51.9Low109 Ų109116.1 Ų116.158%0.58363%0.63SS**Hα-helixtrans-71.7-36.5177.6-72-20.6000112.1Q235 K241 A242Q235-D239 PolarHBondContact O-N 2.85Å; D239-K241 VanDerWaalsContact C-N 3.29Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-A242 PolarHBondContact O-N 3.07Å; D239-A242 VanDerWaalsContact O-N 3.14Å
240S51.9Low49.8Very low83 Ų83121.8 Ų121.858%0.5865%0.653SS**Hα-helixtrans-66.6-29174.9-62.40000112.9S236S236-S240 WeakPolarHBondContact O-CB 3.36Å; S236-S240 PolarHBondContact O-N 3.14Å; S236-S240 PolarHBondContact O-OG 3.37Å
241K49.5Very low47.8Very low175 Ų175128.4 Ų128.476%0.76168%0.681SS**Hα-helixtrans-76.1-22.3173.6-77.1-175.7178.9-1770113.2S237 T238 D239S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.37Å; T238-K241 PolarHBondContact O-N 3.38Å; D239-K241 VanDerWaalsContact C-N 3.29Å; D239-K241 PolarHBondContact O-N 3.07Å
242A47.9Very low46Very low77 Ų77127.8 Ų127.864%0.63670%0.696SS**Hα-helixtrans-76.7-21.6176.500000113.1T238 D239T238-A242 PolarHBondContact O-N 3.3Å; D239-A242 PolarHBondContact O-N 3.07Å; D239-A242 VanDerWaalsContact O-N 3.14Å
243V43.4Very low44.6Very low120 Ų120126.9 Ų126.973%0.72770%0.699SS**Hα-helixtrans-89.2-16.6-176.7178.10000113.8
244H41Very low43.1Very low173 Ų173130 Ų13080%0.80171%0.711SS**SBendtrans-10914.6179.8-97.472.8000115.4K246H244-K246 PolarHBondContact O-N 3.42Å
245G37.1Very low41.8Very low62 Ų62126.3 Ų126.364%0.63971%0.713SS**  trans-97.354.8-175.800000115.8
246K43.1Very low41Very low203 Ų203126 Ų12688%0.88372%0.722SS**  trans-138.472.3162.2-89.6-169.2179.6177.80111.7H244H244-K246 PolarHBondContact O-N 3.42Å
247T34.5Very low39.7Very low138 Ų138131.4 Ų131.485%0.84774%0.743SS**SBendtrans-148111.1149.3-48.50000110.6
248L30.6Very low38.4Very low164 Ų164136.1 Ų136.186%0.85976%0.762SS**  trans31.8121.7150.3-135.767.6000121.3
249Q37.5Very low37.2Very low184 Ų184143.4 Ų143.486%0.8678%0.78SS**  trans-62.6141.2165.4-63.7-173.6-15.300112.7
250I31.9Very low36.1Very low167 Ų167146.6 Ų146.686%0.85679%0.794SS**  trans-142.7123.2139.2-59.7-174.1000110.4
251L29.8Very low34.9Very low164 Ų164148 Ų14886%0.85980%0.799SS**  trans-0.7132.4157.1-14969.9000120.7
252G28.8Very low33.8Very low78 Ų78148.2 Ų148.280%0.80481%0.807SS**  trans-174.188.2165.600000113.4
253T32.6Very low32.7Very low108 Ų108147 Ų14766%0.66380%0.802SS**  trans-59141.1175.3-43.10000112.8
254F30.2Very low31.8Very low208 Ų208148.7 Ų148.791%0.91281%0.806SS**  177.7153.8122.1-91.8-67.9000113.1
255S34.3Very low31.1Very low106 Ų106150.2 Ų150.274%0.74181%0.811SS**  trans-77.2161.8-158171.50000116.8
256P36.7Very low30.6Very low117 Ų117154.5 Ų154.576%0.7682%0.824SS**  trans-88.8130.7-174.634-28.8000112.7
257M29.1Very low29.8Very low178 Ų178148.9 Ų148.988%0.87782%0.816SS**  trans-144.2117.1163.2-107.8-145.616700113.7
258L29.9Very low29.5Very low158 Ų158150.5 Ų150.583%0.82782%0.818SS**  trans68.9102.4132.7-143.965.3000120.3
259R30.9Very low29.3Very low239 Ų239147.9 Ų147.990%0.90282%0.821SS**  trans-57.2135.9156.4-61.8167169.9176.4-4.1112.5
260M26.9Very low29Very low177 Ų177143.3 Ų143.387%0.87281%0.814SS**  trans165136.3145.7-121.6169.449.300106.1
261V27.5Very low29.1Very low113 Ų113142.1 Ų142.169%0.68581%0.814SS**  cis-167.4136.149.3173.80000107.1
262L25.4Very low29.2Very low178 Ų178141.5 Ų141.593%0.93282%0.817SS**  trans-159.597.8133.2-148.468.3000110.2
263G24.5Very low29.2Very low52 Ų52141.4 Ų141.454%0.53682%0.816SS.*  trans-101.2160.7165.900000110.9
264L25.9Very low29.2Very low156 Ų156143.5 Ų143.582%0.81782%0.822SS**  trans75.8107.3171.5-68.1111.4000116.9
265F25.9Very low29.6Very low204 Ų204144.6 Ų144.690%0.89582%0.822SS**  -164.199.992.8-91.2-75.5000109.6
266V27.6Very low29.4Very low152 Ų152144.4 Ų144.492%0.92183%0.827SS**  trans-124.7104.9165.1174.90000106.6
267A24.9Very low29.5Very low86 Ų86150.6 Ų150.671%0.71185%0.852SS**  trans-170.1142.4155.700000109.1
268L27.9Very low29.6Very low171 Ų171149.3 Ų149.390%0.89585%0.851SS**  trans92.981.2169.5-63.3149.6000117.5
269A27.2Very low29.5Very low110 Ų110148.8 Ų148.891%0.90985%0.852SS**  -165.954.7128.700000110.9
270A30.8Very low29.5Very low87 Ų87143.8 Ų143.872%0.71985%0.849SS**  trans-104.1140.9151.500000105.6
271V33.8Very low29.6Very low143 Ų143141.8 Ų141.887%0.86785%0.848SS**  trans9166-172.2-163.50000114.9
272V31.7Very low29.7Very low150 Ų150143.6 Ų143.691%0.90986%0.858SS**  trans-149.153.5141.7-165.90000108.9
273G30.6Very low30Very low76 Ų76141.3 Ų141.378%0.78485%0.853SS**SBendtrans-124.613-179.400000114.1
274L31.7Very low30.4Very low152 Ų152147.7 Ų147.780%0.79688%0.876SS**SBendtrans-132133.5171.5-84.9143.1000104.6
275Y38.4Very low30.8Very low232 Ų232147.1 Ų147.191%0.9188%0.881SS**  trans88.667.3-166.1-52.2-72.6000115.6
276A31.2Very low31.2Very low101 Ų101142.3 Ų142.384%0.83588%0.879SS**  trans-145.7109.6131.400000107.4
277L38.5Very low31.5Very low248 Ų248141.5 Ų141.5100%1.29888%0.876SS**  trans-55.90166.3-80.2144.8000111

Retrieved 277 of 277 residues in 103.9 ms (Link to these results)

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