A0A087WVY2_HUMAN Loading...

MAGUK p55 scaffold protein 2

AlphaFold DB , UniProt , Accession A0A087WVY2, Species HUMAN (Homo sapiens, Human), Gene MPP2, Length 186 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
1M71.6Confident73.3Confident56 Ų5675.3 Ų75.328%0.27643%0.425SS..  0-450-169.6175.3-87.100117.2Q3 V4 L5 M29 V34 R35 A38 E42M1-Q3 VanDerWaalsContact C-N 3.32Å; M1-Q3 PolarHBondContact O-N 3.15Å; M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 3.43Å; M1-M29 HydrophobicContact CE-CE 3.53Å; M1-M29 HydrophobicContact CG-CE 3.36Å; M1-M29 HydrophobicContact SD-CE 3.71Å; M1-V34 HydrophobicContact CE-CG1 3.81Å; M1-R35 HydrophobicContact SD-CB 4.1Å; M1-R35 HydrophobicContact SD-CG 3.5Å; M1-R35 WeakPolarHBondContact SD-CG 3.45Å; M1-A38 HydrophobicContact CE-CB 3.05Å; M1-A38 HydrophobicContact SD-CB 4.19Å; M1-E42 PolarHBondContact N-OE1 2.75Å
2Q71.6Confident72.2Confident117 Ų11775.8 Ų75.855%0.54743%0.434SS..Hα-helixtrans-56.3-41.9-173.8-172.563.151.900113.5V4 L5 D6Q2-V4 PolarHBondContact O-N 3.18Å; Q2-L5 WeakPolarHBondContact O-CB 3.43Å; Q2-L5 PolarHBondContact O-N 2.83Å; Q2-D6 PolarHBondContact NE2-OD1 3.46Å; Q2-D6 VanDerWaalsContact O-CG 3.24Å; Q2-D6 PolarHBondContact O-N 2.97Å
3Q77.6Confident71.2Confident148 Ų14880.2 Ų80.269%0.69247%0.472SS*.Hα-helixtrans-57.4-31.8176.1-168.8175.210.800113.4M1 N7M1-Q3 VanDerWaalsContact C-N 3.32Å; M1-Q3 PolarHBondContact O-N 3.15Å; Q3-N7 WeakPolarHBondContact O-CB 3.49Å; Q3-N7 PolarHBondContact O-N 3.02Å; Q3-N7 PolarHBondContact O-ND2 3.01Å; Q3-N7 PolarHBondContact O-OD1 3.37Å
4V76.8Confident70Confident75 Ų7581 Ų8146%0.45549%0.493SS..Hα-helixtrans-72-39.1177.5179.50000111M1 Q2 N7 L8M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.26Å; Q2-V4 PolarHBondContact O-N 3.18Å; V4-N7 PolarHBondContact O-N 3.15Å; V4-L8 HydrophobicContact CG1-CD1 4.19Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.86Å
5L75.5Confident69.4Low9 Ų979.9 Ų79.95%0.04749%0.486CS..Hα-helixtrans-66.2-40.2175.4-79.5169.6000112.2M1 Q2 N7 L8 G9 M29 E30M1-L5 PolarHBondContact O-N 3.43Å; Q2-L5 WeakPolarHBondContact O-CB 3.43Å; Q2-L5 PolarHBondContact O-N 2.83Å; L5-N7 VanDerWaalsContact C-N 3.33Å; L5-L8 PolarHBondContact O-N 2.93Å; L5-G9 PolarHBondContact O-N 3.44Å; L5-G9 VanDerWaalsContact O-N 3.11Å; L5-M29 HydrophobicContact CD2-CB 3.36Å; L5-M29 HydrophobicContact CD2-CG 4.44Å; L5-M29 HydrophobicContact CG-CB 4.01Å; L5-E30 HydrophobicContact CD2-CG 3.81Å
6D78.9Confident68.9Low92 Ų9279.9 Ų79.949%0.49251%0.507SS..Hα-helixtrans-66.9-39.3177.9-57.9-20.6000110.4Q2 G9 S10Q2-D6 PolarHBondContact NE2-OD1 3.46Å; Q2-D6 VanDerWaalsContact O-CG 3.24Å; Q2-D6 PolarHBondContact O-N 2.97Å; D6-G9 PolarHBondContact O-N 3.37Å; D6-S10 PolarHBondContact O-N 3Å; D6-S10 PolarHBondContact O-OG 3.01Å
7N78.1Confident68.8Low91 Ų9178 Ų7849%0.48750%0.501SS..Hα-helixtrans-64.4-42.3172.5-69.8-15.8000111.9Q3 V4 L5 G9 S10 L11Q3-N7 WeakPolarHBondContact O-CB 3.49Å; Q3-N7 PolarHBondContact O-N 3.02Å; Q3-N7 PolarHBondContact O-ND2 3.01Å; Q3-N7 PolarHBondContact O-OD1 3.37Å; V4-N7 PolarHBondContact O-N 3.15Å; L5-N7 VanDerWaalsContact C-N 3.33Å; N7-G9 PolarHBondContact O-N 3.21Å; N7-S10 WeakPolarHBondContact CA-OG 3.4Å; N7-S10 PolarHBondContact O-N 2.96Å; N7-S10 VanDerWaalsContact O-N 3.08Å; N7-S10 PolarHBondContact O-OG 3.13Å; N7-L11 WeakPolarHBondContact O-CG 3.34Å; N7-L11 PolarHBondContact O-N 3.14Å
8L73.1Confident69.3Low24 Ų2476.6 Ų76.613%0.12650%0.497CS..Hα-helixtrans-60.6-29174.8-81.9159000113.3V4 L5 L11 L22 L25 M29V4-L8 HydrophobicContact CG1-CD1 4.19Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.86Å; L5-L8 PolarHBondContact O-N 2.93Å; L8-L11 HydrophobicContact CD2-CD1 3.85Å; L8-L22 HydrophobicContact CD2-CD2 4.45Å; L8-L25 HydrophobicContact CD1-CD2 4.42Å; L8-L25 HydrophobicContact CD1-CG 4.23Å; L8-L25 HydrophobicContact CD2-CD2 3.71Å; L8-L25 HydrophobicContact CD2-CG 4.15Å; L8-M29 HydrophobicContact CD1-CB 4.49Å; L8-M29 HydrophobicContact CD1-CG 3.96Å
9G68.3Low69.8Low55 Ų5580.6 Ų80.657%0.56751%0.508SS*.Hα-helixtrans-77.4-18.3175.500000115L5 D6 N7L5-G9 PolarHBondContact O-N 3.44Å; L5-G9 VanDerWaalsContact O-N 3.11Å; D6-G9 PolarHBondContact O-N 3.37Å; N7-G9 PolarHBondContact O-N 3.21Å
10S68.4Low70.4Confident85 Ų8583.3 Ų83.359%0.59452%0.518SS*.Hα-helixtrans-107-0.4-176.953.90000113.6D6 N7 P12D6-S10 PolarHBondContact O-N 3Å; D6-S10 PolarHBondContact O-OG 3.01Å; N7-S10 WeakPolarHBondContact CA-OG 3.4Å; N7-S10 PolarHBondContact O-N 2.96Å; N7-S10 VanDerWaalsContact O-N 3.08Å; N7-S10 PolarHBondContact O-OG 3.13Å; S10-P12 WeakPolarHBondContact O-CD 3.44Å
11L66.1Low71Confident76 Ų7684 Ų8440%0.39852%0.518SS..  trans-62.5123.4176.4-73.7165.5000109.7N7 L8 T15 L22N7-L11 WeakPolarHBondContact O-CG 3.34Å; N7-L11 PolarHBondContact O-N 3.14Å; L8-L11 HydrophobicContact CD2-CD1 3.85Å; L11-T15 HydrophobicContact CD2-CG2 4.08Å; L11-L22 HydrophobicContact CD1-CD2 4.02Å
12P60.8Low71.5Confident81 Ų8183.7 Ų83.753%0.52652%0.517SS..  trans-64.2144.8173.823.6-28.8000109.6S10 A14 T15S10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-A14 PolarHBondContact O-N 2.93Å; P12-T15 HydrophobicContact CG-CG2 4.2Å; P12-T15 WeakPolarHBondContact O-CG2 3.38Å; P12-T15 PolarHBondContact O-N 2.96Å; P12-T15 PolarHBondContact O-OG1 3.42Å
13S58.7Low72Confident133 Ų13382.9 Ų82.993%0.9352%0.516SS*.THydrogen-bonded Turntrans-61.30.7174.334.90000114.2
14A55Low72.5Confident92 Ų9282.5 Ų82.576%0.7651%0.512SS*.THydrogen-bonded Turntrans-94.17.8176.400000114.2P12 G16P12-A14 PolarHBondContact O-N 2.93Å; A14-G16 PolarHBondContact O-N 3.42Å
15T59.8Low72.9Confident64 Ų6482.4 Ų82.439%0.39351%0.509SS..SBendtrans-74-1.7-174.7380000115L11 P12 A17L11-T15 HydrophobicContact CD2-CG2 4.08Å; P12-T15 HydrophobicContact CG-CG2 4.2Å; P12-T15 WeakPolarHBondContact O-CG2 3.38Å; P12-T15 PolarHBondContact O-N 2.96Å; P12-T15 PolarHBondContact O-OG1 3.42Å; T15-A17 PolarHBondContact O-N 3.04Å; T15-A17 VanDerWaalsContact O-N 3.07Å
16G62.4Low73.4Confident80 Ų8086 Ų8683%0.82552%0.522SS*.SBendtrans71.2-5.1179.400000114.7A14A14-G16 PolarHBondContact O-N 3.42Å
17A66.8Low73.8Confident48 Ų4883.6 Ų83.640%0.39752%0.519SS..SBendtrans-76.2140.3170.800000110.2T15 E19 L22T15-A17 PolarHBondContact O-N 3.04Å; T15-A17 VanDerWaalsContact O-N 3.07Å; A17-E19 PolarHBondContact O-N 3.11Å; A17-L22 HydrophobicContact CB-CD1 4.4Å; A17-L22 HydrophobicContact CB-CD2 4.18Å; A17-L22 HydrophobicContact CB-CG 4.17Å
18A77.1Confident74.4Confident52 Ų5282.4 Ų82.443%0.4351%0.512SS..  trans-65.4136.4175.900000109.7L20 D21 L22A18-L20 PolarHBondContact O-N 3.48Å; A18-L20 VanDerWaalsContact O-N 3.14Å; A18-D21 WeakPolarHBondContact CB-OD2 3.25Å; A18-D21 WeakPolarHBondContact O-CB 3.46Å; A18-D21 PolarHBondContact O-N 3.3Å; A18-L22 PolarHBondContact O-N 3.3Å
19E79.4Confident75Confident153 Ų15382.6 Ų82.672%0.71551%0.512SS*.Hα-helixtrans-54.2-36.3-179.3-174.9176.6-175.800112.3A17 D21 L22 I23A17-E19 PolarHBondContact O-N 3.11Å; E19-D21 VanDerWaalsContact C-N 3.33Å; E19-D21 PolarHBondContact O-N 2.8Å; E19-L22 PolarHBondContact O-N 3.18Å; E19-I23 HydrophobicContact CG-CD1 4.11Å; E19-I23 VanDerWaalsContact O-CG1 3.31Å; E19-I23 WeakPolarHBondContact O-CG1 3.48Å; E19-I23 PolarHBondContact O-N 3.48Å
20L81.7Confident76Confident134 Ų13483.9 Ų83.970%0.70250%0.504SS*.Hα-helixtrans-62.7-37.2175.6-65.6176.1000112.8A18 I23 F24A18-L20 PolarHBondContact O-N 3.48Å; A18-L20 VanDerWaalsContact O-N 3.14Å; L20-I23 PolarHBondContact O-N 2.92Å; L20-F24 VanDerWaalsContact O-CB 3.27Å; L20-F24 WeakPolarHBondContact O-CB 3.39Å; L20-F24 PolarHBondContact O-N 3.26Å
21D82.7Confident77.1Confident99 Ų9981.3 Ų81.353%0.52949%0.486SS..Hα-helixtrans-70.2-37178.9-62.2-27.3000110.8A18 E19 F24 L25A18-D21 WeakPolarHBondContact CB-OD2 3.25Å; A18-D21 WeakPolarHBondContact O-CB 3.46Å; A18-D21 PolarHBondContact O-N 3.3Å; E19-D21 VanDerWaalsContact C-N 3.33Å; E19-D21 PolarHBondContact O-N 2.8Å; D21-F24 PolarHBondContact O-N 3.12Å; D21-L25 VanDerWaalsContact O-CB 3.26Å; D21-L25 WeakPolarHBondContact O-CB 3.41Å; D21-L25 PolarHBondContact O-N 3.37Å
22L82.8Confident78.2Confident49 Ų4982.1 Ų82.126%0.25750%0.495SS..Hα-helixtrans-67.6-40.5175.5-65.9176.6000111.8L8 L11 A17 A18 E19 R26L8-L22 HydrophobicContact CD2-CD2 4.45Å; L11-L22 HydrophobicContact CD1-CD2 4.02Å; A17-L22 HydrophobicContact CB-CD1 4.4Å; A17-L22 HydrophobicContact CB-CD2 4.18Å; A17-L22 HydrophobicContact CB-CG 4.17Å; A18-L22 PolarHBondContact O-N 3.3Å; E19-L22 PolarHBondContact O-N 3.18Å; L22-R26 VanDerWaalsContact O-CB 3.27Å; L22-R26 WeakPolarHBondContact O-CB 3.36Å; L22-R26 PolarHBondContact O-N 2.96Å
23I82.8Confident79.7Confident100 Ų10083.8 Ų83.851%0.51350%0.499SS..Hα-helixtrans-63.7-45.3173.7-68.1165.5000110.3E19 L20 R26 G27E19-I23 HydrophobicContact CG-CD1 4.11Å; E19-I23 VanDerWaalsContact O-CG1 3.31Å; E19-I23 WeakPolarHBondContact O-CG1 3.48Å; E19-I23 PolarHBondContact O-N 3.48Å; L20-I23 PolarHBondContact O-N 2.92Å; I23-R26 PolarHBondContact O-N 3.14Å; I23-G27 PolarHBondContact O-N 3.19Å
24F86.7Confident81.2Confident140 Ų14079.5 Ų79.561%0.61447%0.467SS*.Hα-helixtrans-61.6-49178176-107.1000112L20 D21 R26 G27 I28L20-F24 VanDerWaalsContact O-CB 3.27Å; L20-F24 WeakPolarHBondContact O-CB 3.39Å; L20-F24 PolarHBondContact O-N 3.26Å; D21-F24 PolarHBondContact O-N 3.12Å; F24-R26 PolarHBondContact O-N 3.08Å; F24-G27 WeakPolarHBondContact O-CA 3.49Å; F24-G27 PolarHBondContact O-N 3.48Å; F24-G27 VanDerWaalsContact O-N 3.08Å; F24-I28 HydrophobicContact CD1-CD1 3.96Å; F24-I28 HydrophobicContact CE1-CD1 3.33Å; F24-I28 HydrophobicContact CE1-CG1 4.31Å; F24-I28 HydrophobicContact CE2-CD1 4.18Å; F24-I28 HydrophobicContact CE2-CG1 4.45Å; F24-I28 HydrophobicContact CZ-CD1 3.47Å; F24-I28 VanDerWaalsContact CZ-CD1 3.47Å; F24-I28 HydrophobicContact CZ-CG1 4.21Å; F24-I28 PolarHBondContact O-N 3.42Å
25L86.8Confident82.8Confident73 Ų7379.6 Ų79.638%0.38245%0.448SS..Hα-helixtrans-62-43.2178.4-179.358.1000111.3L8 D21 G27 I28 M29L8-L25 HydrophobicContact CD1-CD2 4.42Å; L8-L25 HydrophobicContact CD1-CG 4.23Å; L8-L25 HydrophobicContact CD2-CD2 3.71Å; L8-L25 HydrophobicContact CD2-CG 4.15Å; D21-L25 VanDerWaalsContact O-CB 3.26Å; D21-L25 WeakPolarHBondContact O-CB 3.41Å; D21-L25 PolarHBondContact O-N 3.37Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.03Å; L25-I28 PolarHBondContact O-N 3.29Å; L25-M29 HydrophobicContact CD1-CG 4.19Å; L25-M29 HydrophobicContact CG-CG 4.45Å; L25-M29 WeakPolarHBondContact O-CB 3.31Å; L25-M29 VanDerWaalsContact O-CG 3.25Å; L25-M29 WeakPolarHBondContact O-CG 3.26Å; L25-M29 PolarHBondContact O-N 3.38Å
26R84.3Confident84.2Confident84 Ų8480.3 Ų80.332%0.31746%0.455SS..Hα-helixtrans-56.1-46.7171.5175.4178.9-73.2-80.7-1.9111L22 I23 F24 I28 M29 E30L22-R26 VanDerWaalsContact O-CB 3.27Å; L22-R26 WeakPolarHBondContact O-CB 3.36Å; L22-R26 PolarHBondContact O-N 2.96Å; I23-R26 PolarHBondContact O-N 3.14Å; F24-R26 PolarHBondContact O-N 3.08Å; R26-I28 VanDerWaalsContact C-N 3.35Å; R26-I28 PolarHBondContact O-N 3.31Å; R26-M29 PolarHBondContact O-N 3.25Å; R26-E30 WeakPolarHBondContact CD-OE1 3.38Å; R26-E30 VanDerWaalsContact CG-CD 3.46Å; R26-E30 HydrophobicContact CG-CG 4.17Å; R26-E30 WeakPolarHBondContact CG-OE1 3.28Å; R26-E30 IonicContact CZ-OE1 2.81Å; R26-E30 IonicContact NH1-OE1 2.82Å; R26-E30 PolarHBondContact NH1-OE1 2.84Å; R26-E30 WeakPolarHBondContact O-CB 3.33Å; R26-E30 VanDerWaalsContact O-CG 3.3Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 2.87Å
27G88.5Confident85.6Confident42 Ų4282 Ų8243%0.43345%0.445SS..Hα-helixtrans-58.2-42.817700000113.3I23 F24 L25 S31I23-G27 PolarHBondContact O-N 3.19Å; F24-G27 WeakPolarHBondContact O-CA 3.49Å; F24-G27 PolarHBondContact O-N 3.48Å; F24-G27 VanDerWaalsContact O-N 3.08Å; L25-G27 VanDerWaalsContact C-N 3.3Å; L25-G27 PolarHBondContact O-N 3.03Å; G27-S31 PolarHBondContact O-N 3.44Å
28I89.8Confident86.5Confident66 Ų6680.6 Ų80.634%0.33843%0.434SS..Hα-helixtrans-62-49173.7-69.2177.6000110.6F24 L25 R26 E30 S31 V34F24-I28 HydrophobicContact CD1-CD1 3.96Å; F24-I28 HydrophobicContact CE1-CD1 3.33Å; F24-I28 HydrophobicContact CE1-CG1 4.31Å; F24-I28 HydrophobicContact CE2-CD1 4.18Å; F24-I28 HydrophobicContact CE2-CG1 4.45Å; F24-I28 HydrophobicContact CZ-CD1 3.47Å; F24-I28 VanDerWaalsContact CZ-CD1 3.47Å; F24-I28 HydrophobicContact CZ-CG1 4.21Å; F24-I28 PolarHBondContact O-N 3.42Å; L25-I28 PolarHBondContact O-N 3.29Å; R26-I28 VanDerWaalsContact C-N 3.35Å; R26-I28 PolarHBondContact O-N 3.31Å; I28-E30 VanDerWaalsContact C-N 3.28Å; I28-E30 PolarHBondContact O-N 2.92Å; I28-S31 WeakPolarHBondContact O-CB 3.46Å; I28-S31 PolarHBondContact O-N 3.47Å; I28-S31 VanDerWaalsContact O-N 3.14Å; I28-V34 HydrophobicContact CG2-CG1 4.34Å; I28-V34 HydrophobicContact CG2-CG2 4.05Å; I28-V34 WeakPolarHBondContact O-CB 2.97Å; I28-V34 WeakPolarHBondContact O-CG2 3.22Å
29M86.6Confident87Confident28 Ų2884.9 Ų84.914%0.13844%0.442CS..Hα-helixtrans-68.9-26.4-176.2-67.8-54-45.800113.4M1 L5 L8 L25 R26 R35M1-M29 HydrophobicContact CE-CE 3.53Å; M1-M29 HydrophobicContact CG-CE 3.36Å; M1-M29 HydrophobicContact SD-CE 3.71Å; L5-M29 HydrophobicContact CD2-CB 3.36Å; L5-M29 HydrophobicContact CD2-CG 4.44Å; L5-M29 HydrophobicContact CG-CB 4.01Å; L8-M29 HydrophobicContact CD1-CB 4.49Å; L8-M29 HydrophobicContact CD1-CG 3.96Å; L25-M29 HydrophobicContact CD1-CG 4.19Å; L25-M29 HydrophobicContact CG-CG 4.45Å; L25-M29 WeakPolarHBondContact O-CB 3.31Å; L25-M29 VanDerWaalsContact O-CG 3.25Å; L25-M29 WeakPolarHBondContact O-CG 3.26Å; L25-M29 PolarHBondContact O-N 3.38Å; R26-M29 PolarHBondContact O-N 3.25Å; M29-R35 PolarHBondContact O-NE 3.15Å
30E88.3Confident87.4Confident82 Ų8279.9 Ų79.938%0.38343%0.427SS..Hα-helixtrans-83.1-14.3175.3-69.5176178.800113L5 R26 I28 R35L5-E30 HydrophobicContact CD2-CG 3.81Å; R26-E30 WeakPolarHBondContact CD-OE1 3.38Å; R26-E30 VanDerWaalsContact CG-CD 3.46Å; R26-E30 HydrophobicContact CG-CG 4.17Å; R26-E30 WeakPolarHBondContact CG-OE1 3.28Å; R26-E30 IonicContact CZ-OE1 2.81Å; R26-E30 IonicContact NH1-OE1 2.82Å; R26-E30 PolarHBondContact NH1-OE1 2.84Å; R26-E30 WeakPolarHBondContact O-CB 3.33Å; R26-E30 VanDerWaalsContact O-CG 3.3Å; R26-E30 WeakPolarHBondContact O-CG 3.39Å; R26-E30 PolarHBondContact O-N 2.87Å; I28-E30 VanDerWaalsContact C-N 3.28Å; I28-E30 PolarHBondContact O-N 2.92Å; E30-R35 PolarHBondContact O-NE 3.06Å; E30-R35 PolarHBondContact O-NH1 2.93Å
31S92.3Very high87.6Confident31 Ų3178.5 Ų78.522%0.21742%0.417CS..  trans-56.9128.7178.5176.10000111.7G27 I28 I33 V34 R35G27-S31 PolarHBondContact O-N 3.44Å; I28-S31 WeakPolarHBondContact O-CB 3.46Å; I28-S31 PolarHBondContact O-N 3.47Å; I28-S31 VanDerWaalsContact O-N 3.14Å; S31-I33 PolarHBondContact O-N 2.94Å; S31-I33 PolarHBondContact OG-N 2.72Å; S31-V34 PolarHBondContact O-N 2.86Å; S31-R35 WeakPolarHBondContact O-CG 3.48Å; S31-R35 PolarHBondContact O-N 2.81Å
32P89.7Confident87.7Confident93 Ų9378.1 Ų78.160%0.60441%0.412SS*.Hα-helixtrans-62.6-29.1177.825.7-33.7000112.1S36P32-S36 WeakPolarHBondContact O-CB 3.42Å; P32-S36 PolarHBondContact O-N 2.81Å; P32-S36 PolarHBondContact O-OG 2.98Å
33I92Very high87.8Confident116 Ų11685 Ų8560%0.59543%0.434SS*.Hα-helixtrans-67.8-51.9177.3-60.5172.9000109.5S31 R35 S36 L37S31-I33 PolarHBondContact O-N 2.94Å; S31-I33 PolarHBondContact OG-N 2.72Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 3.08Å; I33-S36 PolarHBondContact O-N 3.26Å; I33-S36 VanDerWaalsContact O-N 3.11Å; I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.21Å
34V90.6Very high87.7Confident44 Ų4486.5 Ų86.527%0.26744%0.443SS..Hα-helixtrans-61.7-42.3-179.3176.10000110.7M1 I28 S31 S36 L37 A38M1-V34 HydrophobicContact CE-CG1 3.81Å; I28-V34 HydrophobicContact CG2-CG1 4.34Å; I28-V34 HydrophobicContact CG2-CG2 4.05Å; I28-V34 WeakPolarHBondContact O-CB 2.97Å; I28-V34 WeakPolarHBondContact O-CG2 3.22Å; S31-V34 PolarHBondContact O-N 2.86Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 2.71Å; V34-L37 PolarHBondContact O-N 3.41Å; V34-A38 WeakPolarHBondContact O-CB 3.46Å; V34-A38 PolarHBondContact O-N 2.93Å
35R88.5Confident87.2Confident93 Ų9385.7 Ų85.735%0.35144%0.441SS..Hα-helixtrans-60.1-41.5174.1-73.5171.4175179.2-3.4113M1 M29 E30 S31 I33 K39M1-R35 HydrophobicContact SD-CB 4.1Å; M1-R35 HydrophobicContact SD-CG 3.5Å; M1-R35 WeakPolarHBondContact SD-CG 3.45Å; M29-R35 PolarHBondContact O-NE 3.15Å; E30-R35 PolarHBondContact O-NE 3.06Å; E30-R35 PolarHBondContact O-NH1 2.93Å; S31-R35 WeakPolarHBondContact O-CG 3.48Å; S31-R35 PolarHBondContact O-N 2.81Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 3.08Å; R35-K39 WeakPolarHBondContact O-CG 3.48Å; R35-K39 PolarHBondContact O-N 3.3Å; R35-K39 VanDerWaalsContact O-N 3.13Å
36S89.7Confident86.3Confident79 Ų7989.9 Ų89.955%0.55246%0.459SS*.Hα-helixtrans-68.3-42.3178.9-590000111.3P32 I33 V34 K39 A40P32-S36 WeakPolarHBondContact O-CB 3.42Å; P32-S36 PolarHBondContact O-N 2.81Å; P32-S36 PolarHBondContact O-OG 2.98Å; I33-S36 PolarHBondContact O-N 3.26Å; I33-S36 VanDerWaalsContact O-N 3.11Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 2.71Å; S36-K39 PolarHBondContact O-N 2.98Å; S36-A40 PolarHBondContact O-N 3.48Å
37L90Very high85.6Confident115 Ų11591 Ų9160%0.60248%0.475SS*.Hα-helixtrans-63.3-44.7176.6-73.1172.3000112.1I33 V34 K39 A40 H41I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.21Å; V34-L37 PolarHBondContact O-N 3.41Å; L37-K39 PolarHBondContact O-N 3.31Å; L37-A40 WeakPolarHBondContact O-CB 3.42Å; L37-A40 PolarHBondContact O-N 2.96Å; L37-H41 WeakPolarHBondContact O-CB 3.36Å; L37-H41 PolarHBondContact O-N 2.98Å
38A87.2Confident84.8Confident20 Ų2097.2 Ų97.217%0.16549%0.49CS..Hα-helixtrans-65.5-37.917800000112.8M1 V34 A40 H41 E42M1-A38 HydrophobicContact CE-CB 3.05Å; M1-A38 HydrophobicContact SD-CB 4.19Å; V34-A38 WeakPolarHBondContact O-CB 3.46Å; V34-A38 PolarHBondContact O-N 2.93Å; A38-A40 VanDerWaalsContact C-N 3.31Å; A38-A40 PolarHBondContact O-N 3.49Å; A38-H41 PolarHBondContact O-N 3.47Å; A38-E42 WeakPolarHBondContact O-CB 3.46Å; A38-E42 WeakPolarHBondContact O-CG 3.39Å; A38-E42 PolarHBondContact O-N 3.39Å
39K87.9Confident84.3Confident142 Ų142101.8 Ų101.862%0.61751%0.514SS*.Hα-helixtrans-63.2-38.8172.5-74.7177.8180-176.60112.1R35 S36 L37 R43R35-K39 WeakPolarHBondContact O-CG 3.48Å; R35-K39 PolarHBondContact O-N 3.3Å; R35-K39 VanDerWaalsContact O-N 3.13Å; S36-K39 PolarHBondContact O-N 2.98Å; L37-K39 PolarHBondContact O-N 3.31Å; K39-R43 VanDerWaalsContact O-CG 3.29Å; K39-R43 WeakPolarHBondContact O-CG 3.42Å; K39-R43 PolarHBondContact O-N 3.17Å
40A87.1Confident84.2Confident48 Ų48107.9 Ų107.940%0.39754%0.542SS..Hα-helixtrans-65.1-42175.200000111.1S36 L37 A38 R43 L44S36-A40 PolarHBondContact O-N 3.48Å; L37-A40 WeakPolarHBondContact O-CB 3.42Å; L37-A40 PolarHBondContact O-N 2.96Å; A38-A40 VanDerWaalsContact C-N 3.31Å; A38-A40 PolarHBondContact O-N 3.49Å; A40-R43 PolarHBondContact O-N 3.41Å; A40-L44 VanDerWaalsContact O-CG 3.28Å; A40-L44 WeakPolarHBondContact O-CG 3.36Å; A40-L44 PolarHBondContact O-N 3.17Å; A40-L44 VanDerWaalsContact O-N 3.11Å
41H84.9Confident84.2Confident104 Ų104106.5 Ų106.548%0.48155%0.545SS..Hα-helixtrans-64.2-50.4176.8-176.359.7000112.4L37 A38 R43 L44 E45L37-H41 WeakPolarHBondContact O-CB 3.36Å; L37-H41 PolarHBondContact O-N 2.98Å; A38-H41 PolarHBondContact O-N 3.47Å; H41-R43 PolarHBondContact O-N 2.89Å; H41-L44 PolarHBondContact O-N 3.06Å; H41-E45 IonicContact CE1-OE1 3.93Å; H41-E45 PolarHBondContact CE1-OE1 2.76Å; H41-E45 IonicContact NE2-OE1 3.82Å; H41-E45 PolarHBondContact NE2-OE1 2.9Å; H41-E45 IonicContact NE2-OE2 2.95Å; H41-E45 PolarHBondContact O-N 3.02Å
42E84.8Confident84Confident91 Ų91111.9 Ų111.943%0.42558%0.576SS.*Hα-helixtrans-53.4-41.4176.4-75.5173.4-177.200110.7M1 A38M1-E42 PolarHBondContact N-OE1 2.75Å; A38-E42 WeakPolarHBondContact O-CB 3.46Å; A38-E42 WeakPolarHBondContact O-CG 3.39Å; A38-E42 PolarHBondContact O-N 3.39Å
43R84.8Confident83.9Confident194 Ų194113.7 Ų113.773%0.73257%0.571SS**Hα-helixtrans-69.3-31176.7-73.1179.367.6-168.6-0.3114.5K39 A40 H41K39-R43 VanDerWaalsContact O-CG 3.29Å; K39-R43 WeakPolarHBondContact O-CG 3.42Å; K39-R43 PolarHBondContact O-N 3.17Å; A40-R43 PolarHBondContact O-N 3.41Å; H41-R43 PolarHBondContact O-N 2.89Å
44L81.7Confident83.7Confident131 Ų131112 Ų11269%0.68656%0.563SS**Hα-helixtrans-80.8-28179.4-71.1169.4000111.7A40 H41 E46A40-L44 VanDerWaalsContact O-CG 3.28Å; A40-L44 WeakPolarHBondContact O-CG 3.36Å; A40-L44 PolarHBondContact O-N 3.17Å; A40-L44 VanDerWaalsContact O-N 3.11Å; H41-L44 PolarHBondContact O-N 3.06Å; L44-E46 VanDerWaalsContact C-N 3.32Å
45E76.1Confident83.7Confident124 Ų124114.2 Ų114.258%0.57957%0.574SS**Hα-helixtrans-73.8-18.6176.8-73.5-166.6139.500114H41 T47H41-E45 IonicContact CE1-OE1 3.93Å; H41-E45 PolarHBondContact CE1-OE1 2.76Å; H41-E45 IonicContact NE2-OE1 3.82Å; H41-E45 PolarHBondContact NE2-OE1 2.9Å; H41-E45 IonicContact NE2-OE2 2.95Å; H41-E45 PolarHBondContact O-N 3.02Å; E45-T47 PolarHBondContact O-N 2.91Å
46E67.6Low83.9Confident161 Ų161111 Ų11175%0.75256%0.563SS**THydrogen-bonded Turntrans-61.1-26.8179.8-75.8177.2-171.900113.1L44L44-E46 VanDerWaalsContact C-N 3.32Å
47T69.7Low84Confident107 Ų107110.2 Ų110.266%0.65655%0.552SS**  trans-104.986.8179.448.70000111.4E45 L49E45-T47 PolarHBondContact O-N 2.91Å; T47-L49 PolarHBondContact O-N 2.82Å
48K71.2Confident84.1Confident173 Ų173111.6 Ų111.675%0.75256%0.556SS**  trans-82.898.8172.8-165.8179178.2-168.10110.3E50K48-E50 IonicContact NZ-OE1 2.71Å
49L79.8Confident84.5Confident162 Ų162113 Ų11385%0.84856%0.56SS**  trans-95.2138168.1-66171.5000108.9T47T47-L49 PolarHBondContact O-N 2.82Å
50E84.9Confident84.8Confident156 Ų156106.7 Ų106.773%0.72953%0.534SS*.  trans-104.1130.4174.2-65-172.3169.500109K48 V52K48-E50 IonicContact NZ-OE1 2.71Å; E50-V52 PolarHBondContact O-N 2.7Å
51A87.5Confident85.2Confident52 Ų52109.4 Ų109.443%0.4354%0.538SS..  trans-66.3134.6175.500000109.5R53 A100A51-R53 PolarHBondContact O-N 2.83Å; A51-A100 HydrophobicContact CB-CB 3.41Å; A51-A100 VanDerWaalsContact CB-CB 3.41Å
52V89.4Confident85.7Confident145 Ų145109 Ų10988%0.87954%0.536SS*.SBendtrans-65.7-33.7178.41780000110.9E50E50-V52 PolarHBondContact O-N 2.7Å
53R87.3Confident86.2Confident131 Ų131107.6 Ų107.649%0.49453%0.531SS..  trans-161.4168.7176.369.8-171.6-51.9169.18.5110.7A51 N56 H96A51-R53 PolarHBondContact O-N 2.83Å; R53-N56 VanDerWaalsContact CD-OD1 3.26Å; R53-N56 WeakPolarHBondContact CD-OD1 3.09Å; R53-N56 WeakPolarHBondContact CG-OD1 3.5Å; R53-N56 PolarHBondContact O-ND2 3.39Å; R53-H96 PolarHBondContact O-CE1 3.01Å; R53-H96 VanDerWaalsContact O-CE1 3.24Å
54D87.9Confident86.7Confident81 Ų8199.3 Ų99.343%0.43350%0.501SS..SBendtrans-106.6180164.656.312.5000110.7N56 A100D54-N56 VanDerWaalsContact C-N 3.32Å; D54-N56 PolarHBondContact O-N 2.94Å; D54-A100 HydrophobicContact CB-CB 4.31Å
55N90Very high87.3Confident90 Ų90100.8 Ų100.848%0.48150%0.498SS..  trans57.338.5175.7-53.9-60.5000114.2L57 E58 L59 D97N55-L57 PolarHBondContact O-N 3.39Å; N55-E58 PolarHBondContact O-N 2.89Å; N55-L59 PolarHBondContact O-N 3.49Å; N55-D97 WeakPolarHBondContact CA-OD2 3.32Å; N55-D97 PolarHBondContact N-OD1 3.17Å
56N92.9Very high88.2Confident24 Ų2499.2 Ų99.213%0.12849%0.494CS..Hα-helixtrans-67.3-26176.6-65-85.2000112.2R53 D54 L59 V60 L93 H96 D97R53-N56 VanDerWaalsContact CD-OD1 3.26Å; R53-N56 WeakPolarHBondContact CD-OD1 3.09Å; R53-N56 WeakPolarHBondContact CG-OD1 3.5Å; R53-N56 PolarHBondContact O-ND2 3.39Å; D54-N56 VanDerWaalsContact C-N 3.32Å; D54-N56 PolarHBondContact O-N 2.94Å; N56-L59 PolarHBondContact O-N 2.99Å; N56-V60 WeakPolarHBondContact O-CG2 3.48Å; N56-V60 PolarHBondContact O-N 3.24Å; N56-L93 HydrophobicContact CB-CD2 4Å; N56-H96 PolarHBondContact ND2-CE1 3.35Å; N56-H96 PolarHBondContact ND2-ND1 3.34Å; N56-H96 VanDerWaalsContact ND2-ND1 3.14Å; N56-D97 WeakPolarHBondContact CB-OD1 3.15Å; N56-D97 VanDerWaalsContact N-CG 3.28Å; N56-D97 PolarHBondContact N-OD1 3.39Å; N56-D97 PolarHBondContact N-OD2 2.96Å; N56-D97 PolarHBondContact ND2-OD1 2.83Å
57L91.3Very high89.4Confident63 Ų6392.6 Ų92.633%0.3346%0.463SS..Hα-helixtrans-62-44.7174.7-16172.5000111.8N55 V60 Q61 L93 D97N55-L57 PolarHBondContact O-N 3.39Å; L57-V60 PolarHBondContact O-N 3.04Å; L57-Q61 WeakPolarHBondContact O-CG 3.41Å; L57-Q61 PolarHBondContact O-N 3.04Å; L57-Q61 VanDerWaalsContact O-N 3.08Å; L57-L93 HydrophobicContact CD1-CB 4.39Å; L57-D97 PolarHBondContact N-OD2 3Å
58E92.9Very high90.4Very high144 Ų14490.4 Ų90.467%0.67346%0.456SS*.Hα-helixtrans-64.2-42.5177.3-173.3175.5-166.700111.1N55 V60 Q61 E62N55-E58 PolarHBondContact O-N 2.89Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.37Å; E58-Q61 WeakPolarHBondContact O-CB 3.25Å; E58-Q61 PolarHBondContact O-N 3.18Å; E58-E62 PolarHBondContact O-N 3.46Å
59L94.6Very high91.4Very high49 Ų4989.6 Ų89.626%0.25746%0.455SS..Hα-helixtrans-58.5-43.8174.4178.167000112.1N55 N56 Q61 E62 I63N55-L59 PolarHBondContact O-N 3.49Å; N56-L59 PolarHBondContact O-N 2.99Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.45Å; L59-E62 WeakPolarHBondContact O-CB 3.43Å; L59-E62 PolarHBondContact O-N 3.12Å; L59-I63 HydrophobicContact CD1-CD1 4.29Å; L59-I63 HydrophobicContact CD2-CD1 4.5Å; L59-I63 HydrophobicContact CG-CD1 3.92Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.34Å
60V95.6Very high91.9Very high10 Ų1086.2 Ų86.26%0.06144%0.437CS..Hα-helixtrans-65.9-36.7178.2165.70000111.7N56 L57 E58 E62 I63 L64 L84 L93N56-V60 WeakPolarHBondContact O-CG2 3.48Å; N56-V60 PolarHBondContact O-N 3.24Å; L57-V60 PolarHBondContact O-N 3.04Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.37Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 2.98Å; V60-I63 PolarHBondContact O-N 3.26Å; V60-L64 HydrophobicContact CG1-CD1 3.92Å; V60-L64 HydrophobicContact CG1-CG 4.2Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 VanDerWaalsContact O-CG 3.26Å; V60-L64 WeakPolarHBondContact O-CG 3.25Å; V60-L64 PolarHBondContact O-N 3.01Å; V60-L84 HydrophobicContact CG1-CB 4.04Å; V60-L84 HydrophobicContact CG1-CD1 4.42Å; V60-L84 HydrophobicContact CG1-CD2 4.33Å; V60-L84 HydrophobicContact CG1-CG 4.5Å; V60-L84 HydrophobicContact CG2-CD2 4.21Å; V60-L93 HydrophobicContact CB-CD1 4.18Å; V60-L93 HydrophobicContact CG2-CD1 3.53Å
61Q94.1Very high92.2Very high105 Ų10580.2 Ų80.249%0.49141%0.414SS..Hα-helixtrans-63.3-38.8173.9-67-64.1-20.500112.1L57 E58 L59 R65L57-Q61 WeakPolarHBondContact O-CG 3.41Å; L57-Q61 PolarHBondContact O-N 3.04Å; L57-Q61 VanDerWaalsContact O-N 3.08Å; E58-Q61 WeakPolarHBondContact O-CB 3.25Å; E58-Q61 PolarHBondContact O-N 3.18Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.45Å; Q61-R65 PolarHBondContact O-N 3.42Å; Q61-R65 VanDerWaalsContact O-N 3.15Å
62E95.6Very high92.2Very high96 Ų9686 Ų8645%0.44943%0.433SS..Hα-helixtrans-63.2-48.3172.5-178.8172.5-154.200111.5E58 L59 V60 L64 R65 D66E58-E62 PolarHBondContact O-N 3.46Å; L59-E62 WeakPolarHBondContact O-CB 3.43Å; L59-E62 PolarHBondContact O-N 3.12Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-E62 PolarHBondContact O-N 2.98Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3Å; E62-R65 WeakPolarHBondContact O-CB 3.48Å; E62-R65 PolarHBondContact O-N 3.05Å; E62-D66 PolarHBondContact O-N 3.21Å; E62-D66 VanDerWaalsContact O-N 3.13Å
63I95.3Very high92.4Very high62 Ų6287.4 Ų87.432%0.31843%0.429SS..Hα-helixtrans-59.3-43.3177.5-68.6166.8000111.3L59 V60 R65 D66 L67 L84L59-I63 HydrophobicContact CD1-CD1 4.29Å; L59-I63 HydrophobicContact CD2-CD1 4.5Å; L59-I63 HydrophobicContact CG-CD1 3.92Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.34Å; V60-I63 PolarHBondContact O-N 3.26Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.49Å; I63-D66 PolarHBondContact O-N 3.44Å; I63-L67 HydrophobicContact CG2-CD1 3.64Å; I63-L67 HydrophobicContact CG2-CG 4.03Å; I63-L67 WeakPolarHBondContact O-CB 3.38Å; I63-L67 VanDerWaalsContact O-CG 3.28Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.24Å; I63-L84 HydrophobicContact CG2-CD1 3.81Å
64L95.6Very high92.8Very high20 Ų2083.3 Ų83.311%0.10542%0.421CS..Hα-helixtrans-63.2-37.9179.2-76.4173.1000112.1V60 E62 D66 L67 A68 A81 L84 Q85V60-L64 HydrophobicContact CG1-CD1 3.92Å; V60-L64 HydrophobicContact CG1-CG 4.2Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 VanDerWaalsContact O-CG 3.26Å; V60-L64 WeakPolarHBondContact O-CG 3.25Å; V60-L64 PolarHBondContact O-N 3.01Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-L67 PolarHBondContact O-N 3.04Å; L64-A68 PolarHBondContact O-N 3Å; L64-A81 HydrophobicContact CD2-CB 3.91Å; L64-L84 HydrophobicContact CD2-CB 3.95Å; L64-L84 HydrophobicContact CD2-CD1 4.24Å; L64-L84 HydrophobicContact CG-CB 4.4Å; L64-Q85 HydrophobicContact CD1-CG 3.73Å; L64-Q85 HydrophobicContact CD2-CG 3.97Å
65R95.1Very high93.1Very high162 Ų16284.2 Ų84.261%0.61143%0.434SS*.Hα-helixtrans-63.6-39.3175-179.6172.859.7-141.3-2.7111.7Q61 E62 I63Q61-R65 PolarHBondContact O-N 3.42Å; Q61-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 WeakPolarHBondContact O-CB 3.48Å; E62-R65 PolarHBondContact O-N 3.05Å; I63-R65 VanDerWaalsContact C-N 3.31Å; I63-R65 PolarHBondContact O-N 3.49Å
66D93.6Very high93.4Very high91 Ų9184.6 Ų84.649%0.48744%0.439SS..Hα-helixtrans-73.4-40.1177.9-66.4-10.6000111.6E62 I63 L64 A68 Q69E62-D66 PolarHBondContact O-N 3.21Å; E62-D66 VanDerWaalsContact O-N 3.13Å; I63-D66 PolarHBondContact O-N 3.44Å; L64-D66 VanDerWaalsContact C-N 3.32Å; D66-A68 VanDerWaalsContact C-N 3.28Å; D66-A68 PolarHBondContact O-N 3.12Å; D66-Q69 PolarHBondContact O-N 3.31Å
67L94.1Very high93.5Very high21 Ų2183.9 Ų83.911%0.1144%0.437CS..Hα-helixtrans-66.3-27.3177.4-74.6176.5000113I63 L64 Q69 L70 A71 A77 L80 A81 L84I63-L67 HydrophobicContact CG2-CD1 3.64Å; I63-L67 HydrophobicContact CG2-CG 4.03Å; I63-L67 WeakPolarHBondContact O-CB 3.38Å; I63-L67 VanDerWaalsContact O-CG 3.28Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.24Å; L64-L67 PolarHBondContact O-N 3.04Å; L67-Q69 PolarHBondContact O-N 2.7Å; L67-Q69 VanDerWaalsContact O-N 3.15Å; L67-L70 HydrophobicContact CD2-CD1 4.46Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-A71 WeakPolarHBondContact O-CB 3.5Å; L67-A71 PolarHBondContact O-N 3.17Å; L67-A77 HydrophobicContact CD2-CB 4.11Å; L67-L80 HydrophobicContact CD1-CB 4.39Å; L67-L80 HydrophobicContact CD1-CD2 3.81Å; L67-L80 HydrophobicContact CD1-CG 3.91Å; L67-L80 HydrophobicContact CD2-CD2 4.38Å; L67-A81 HydrophobicContact CB-CB 4.45Å; L67-A81 HydrophobicContact CD1-CB 4.29Å; L67-L84 HydrophobicContact CD1-CD1 4.09Å
68A90.8Very high93.7Very high62 Ų6282.9 Ų82.951%0.51244%0.437SS..Hα-helixtrans-55.2-34.4179.500000112.7L64 D66L64-A68 PolarHBondContact O-N 3Å; D66-A68 VanDerWaalsContact C-N 3.28Å; D66-A68 PolarHBondContact O-N 3.12Å
69Q90.5Very high93.9Very high155 Ų15581.9 Ų81.972%0.72443%0.433SS*.Hα-helixtrans-76.4-25.1178.3-58.2-17716.400112.8D66 L67D66-Q69 PolarHBondContact O-N 3.31Å; L67-Q69 PolarHBondContact O-N 2.7Å; L67-Q69 VanDerWaalsContact O-N 3.15Å
70L91.4Very high94Very high91 Ų9183.3 Ų83.348%0.47644%0.44SS..Hα-helixtrans-94.9-24.2-175.4-68.6161.4000112.5L67 E72 Q73 S74 A77L67-L70 HydrophobicContact CD2-CD1 4.46Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.78Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-Q73 PolarHBondContact O-N 2.94Å; L70-S74 PolarHBondContact O-N 3.45Å; L70-A77 HydrophobicContact CB-CB 3.96Å
71A89.8Confident94Very high30 Ų3083.3 Ų83.325%0.24844%0.442CS..THydrogen-bonded Turntrans-60.4-32-176.800000112.9L67 Q73 A78L67-A71 WeakPolarHBondContact O-CB 3.5Å; L67-A71 PolarHBondContact O-N 3.17Å; A71-Q73 VanDerWaalsContact C-N 3.25Å; A71-Q73 PolarHBondContact O-N 2.81Å; A71-A78 HydrophobicContact CB-CB 4.22Å
72E88.9Confident94.1Very high175 Ų17584.3 Ų84.382%0.81845%0.446SS*.THydrogen-bonded Turntrans-68.2-23.6176.4-65.8-62.9150.900113.3L70L70-E72 PolarHBondContact O-N 3.4Å
73Q92.6Very high94.2Very high173 Ų17382.9 Ų82.981%0.80844%0.441SS*.THydrogen-bonded Turntrans-111-13.9-172.6-59.8-179.922.300113L70 A71L70-Q73 PolarHBondContact O-N 2.94Å; A71-Q73 VanDerWaalsContact C-N 3.25Å; A71-Q73 PolarHBondContact O-N 2.81Å
74S95.8Very high94.3Very high45 Ų4580.5 Ų80.532%0.31543%0.429SS..  trans-139.7115.1-173.3173.20000110.7L70 T76 A77 A78L70-S74 PolarHBondContact O-N 3.45Å; S74-T76 PolarHBondContact O-N 3.25Å; S74-T76 PolarHBondContact OG-N 3.01Å; S74-A77 PolarHBondContact O-N 2.78Å; S74-A77 VanDerWaalsContact O-N 3.11Å; S74-A77 PolarHBondContact OG-N 3.45Å; S74-A78 PolarHBondContact O-N 2.9Å
75S95.1Very high94.3Very high101 Ų10185.3 Ų85.371%0.70645%0.45SS*.Hα-helixtrans-60.1-33.1173.8580000112A78 E79S75-A78 PolarHBondContact O-N 3.2Å; S75-E79 WeakPolarHBondContact O-CB 3.26Å; S75-E79 PolarHBondContact O-N 3.38Å
76T96.3Very high94.4Very high97 Ų9781.3 Ų81.360%0.59544%0.439SS*.Hα-helixtrans-68-37.6176-530000111.8S74 E79 L80S74-T76 PolarHBondContact O-N 3.25Å; S74-T76 PolarHBondContact OG-N 3.01Å; T76-E79 PolarHBondContact O-N 2.85Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 PolarHBondContact O-N 3.5Å
77A95.2Very high94.5Very high10 Ų1081.1 Ų81.18%0.08344%0.442CS..Hα-helixtrans-68.2-40.3175.400000111.3L67 L70 S74 L80 A81L67-A77 HydrophobicContact CD2-CB 4.11Å; L70-A77 HydrophobicContact CB-CB 3.96Å; S74-A77 PolarHBondContact O-N 2.78Å; S74-A77 VanDerWaalsContact O-N 3.11Å; S74-A77 PolarHBondContact OG-N 3.45Å; A77-L80 PolarHBondContact O-N 3.22Å; A77-A81 WeakPolarHBondContact O-CB 3.48Å; A77-A81 PolarHBondContact O-N 2.87Å
78A95.1Very high94.6Very high41 Ų4187.3 Ų87.334%0.33947%0.47SS..Hα-helixtrans-63.4-42.2174.200000112.1A71 S74 S75 A81 H82A71-A78 HydrophobicContact CB-CB 4.22Å; S74-A78 PolarHBondContact O-N 2.9Å; S75-A78 PolarHBondContact O-N 3.2Å; A78-A81 PolarHBondContact O-N 3.14Å; A78-H82 WeakPolarHBondContact O-CB 3.29Å; A78-H82 PolarHBondContact O-N 3.41Å
79E97.1Very high94.8Very high123 Ų12387.5 Ų87.558%0.57546%0.46SS*.Hα-helixtrans-63.4-46.1176.4-175.9179.4-171.100111.7S75 T76 A81 H82 I83S75-E79 WeakPolarHBondContact O-CB 3.26Å; S75-E79 PolarHBondContact O-N 3.38Å; T76-E79 PolarHBondContact O-N 2.85Å; E79-A81 PolarHBondContact O-N 3.46Å; E79-H82 WeakPolarHBondContact O-CB 3.42Å; E79-H82 PolarHBondContact O-N 3.45Å; E79-I83 HydrophobicContact CG-CD1 4.15Å; E79-I83 WeakPolarHBondContact O-CG1 3.25Å; E79-I83 PolarHBondContact O-N 2.92Å
80L96.6Very high95Very high79 Ų7981.9 Ų81.941%0.41443%0.434SS..Hα-helixtrans-60.9-46.1175.8178.460.8000111.4L67 T76 A77 H82 I83 L84L67-L80 HydrophobicContact CD1-CB 4.39Å; L67-L80 HydrophobicContact CD1-CD2 3.81Å; L67-L80 HydrophobicContact CD1-CG 3.91Å; L67-L80 HydrophobicContact CD2-CD2 4.38Å; T76-L80 WeakPolarHBondContact O-CB 3.41Å; T76-L80 PolarHBondContact O-N 3.5Å; A77-L80 PolarHBondContact O-N 3.22Å; L80-H82 PolarHBondContact O-N 2.96Å; L80-I83 PolarHBondContact O-N 3.03Å; L80-L84 HydrophobicContact CD1-CD1 4.14Å; L80-L84 HydrophobicContact CD1-CD2 4.44Å; L80-L84 HydrophobicContact CD1-CG 4.01Å; L80-L84 HydrophobicContact CG-CD1 4.01Å; L80-L84 HydrophobicContact CG-CG 4.3Å; L80-L84 WeakPolarHBondContact O-CB 3.37Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.2Å
81A95.9Very high95.2Very high11 Ų1180.5 Ų80.59%0.09143%0.432CS..Hα-helixtrans-60.7-34.9177.400000112L64 L67 A77 A78 E79 Q85L64-A81 HydrophobicContact CD2-CB 3.91Å; L67-A81 HydrophobicContact CB-CB 4.45Å; L67-A81 HydrophobicContact CD1-CB 4.29Å; A77-A81 WeakPolarHBondContact O-CB 3.48Å; A77-A81 PolarHBondContact O-N 2.87Å; A78-A81 PolarHBondContact O-N 3.14Å; E79-A81 PolarHBondContact O-N 3.46Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 VanDerWaalsContact O-CG 3.29Å; A81-Q85 WeakPolarHBondContact O-CG 3.31Å; A81-Q85 PolarHBondContact O-N 2.73Å; A81-Q85 PolarHBondContact O-NE2 3.2Å
82H96.3Very high95.4Very high126 Ų12684.3 Ų84.358%0.58345%0.447SS*.Hα-helixtrans-66.4-51175.5-17257.3000111.8A78 E79 L80 L84 Q85 E86A78-H82 WeakPolarHBondContact O-CB 3.29Å; A78-H82 PolarHBondContact O-N 3.41Å; E79-H82 WeakPolarHBondContact O-CB 3.42Å; E79-H82 PolarHBondContact O-N 3.45Å; L80-H82 PolarHBondContact O-N 2.96Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 2.87Å; H82-Q85 PolarHBondContact O-N 3.02Å; H82-E86 PolarHBondContact O-N 3.4Å; H82-E86 VanDerWaalsContact O-N 3.15Å
83I97.3Very high95.7Very high65 Ų6577 Ų7733%0.33341%0.414SS..Hα-helixtrans-58.6-45.4178.3-66.2166.2000110.9E79 L80 Q85 E86 F89E79-I83 HydrophobicContact CG-CD1 4.15Å; E79-I83 WeakPolarHBondContact O-CG1 3.25Å; E79-I83 PolarHBondContact O-N 2.92Å; L80-I83 PolarHBondContact O-N 3.03Å; I83-Q85 PolarHBondContact O-N 2.98Å; I83-E86 WeakPolarHBondContact O-CB 3.22Å; I83-E86 PolarHBondContact O-N 2.96Å; I83-E86 VanDerWaalsContact O-N 3.08Å; I83-F89 HydrophobicContact CG2-CD2 4.45Å; I83-F89 WeakPolarHBondContact O-CB 3.37Å
84L96.6Very high95.6Very high13 Ų1374.8 Ų74.87%0.06840%0.403CS..Hα-helixtrans-62-26.5178.8-70.7179.8000112.5V60 I63 L64 L67 L80 H82 F89 Q90V60-L84 HydrophobicContact CG1-CB 4.04Å; V60-L84 HydrophobicContact CG1-CD1 4.42Å; V60-L84 HydrophobicContact CG1-CD2 4.33Å; V60-L84 HydrophobicContact CG1-CG 4.5Å; V60-L84 HydrophobicContact CG2-CD2 4.21Å; I63-L84 HydrophobicContact CG2-CD1 3.81Å; L64-L84 HydrophobicContact CD2-CB 3.95Å; L64-L84 HydrophobicContact CD2-CD1 4.24Å; L64-L84 HydrophobicContact CG-CB 4.4Å; L67-L84 HydrophobicContact CD1-CD1 4.09Å; L80-L84 HydrophobicContact CD1-CD1 4.14Å; L80-L84 HydrophobicContact CD1-CD2 4.44Å; L80-L84 HydrophobicContact CD1-CG 4.01Å; L80-L84 HydrophobicContact CG-CD1 4.01Å; L80-L84 HydrophobicContact CG-CG 4.3Å; L80-L84 WeakPolarHBondContact O-CB 3.37Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.2Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-L84 PolarHBondContact O-N 2.87Å; L84-F89 HydrophobicContact CD2-CD1 3.99Å; L84-F89 HydrophobicContact CD2-CE1 3.3Å; L84-F89 HydrophobicContact CD2-CZ 3.88Å; L84-Q90 PolarHBondContact O-NE2 2.83Å
85Q95.5Very high95.4Very high120 Ų12076.7 Ų76.756%0.56141%0.413SS*.Hα-helixtrans-91-7.9177.7-74172.568.500113.6L64 A81 H82 I83L64-Q85 HydrophobicContact CD1-CG 3.73Å; L64-Q85 HydrophobicContact CD2-CG 3.97Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 VanDerWaalsContact O-CG 3.29Å; A81-Q85 WeakPolarHBondContact O-CG 3.31Å; A81-Q85 PolarHBondContact O-N 2.73Å; A81-Q85 PolarHBondContact O-NE2 3.2Å; H82-Q85 PolarHBondContact O-N 3.02Å; I83-Q85 PolarHBondContact O-N 2.98Å
86E97.7Very high95.3Very high79 Ų7975.2 Ų75.237%0.36940%0.395SS..SBendtrans-62.3139.1179.4-73.5-169.511300111H82 I83 H88 F89 Q90H82-E86 PolarHBondContact O-N 3.4Å; H82-E86 VanDerWaalsContact O-N 3.15Å; I83-E86 WeakPolarHBondContact O-CB 3.22Å; I83-E86 PolarHBondContact O-N 2.96Å; I83-E86 VanDerWaalsContact O-N 3.08Å; E86-H88 PolarHBondContact O-N 2.68Å; E86-F89 HydrophobicContact CB-CB 4.42Å; E86-F89 PolarHBondContact O-N 3.41Å; E86-Q90 WeakPolarHBondContact O-CG 3.47Å; E86-Q90 PolarHBondContact O-N 3.27Å
87P95.1Very high95.1Very high86 Ų8671.6 Ų71.656%0.55837%0.372SS*.Hα-helixtrans-59.2-37-174.623-33.7000112F89 Q90 S91P87-F89 PolarHBondContact O-N 2.63Å; P87-Q90 PolarHBondContact O-N 3.19Å; P87-S91 WeakPolarHBondContact O-CB 3.41Å; P87-S91 PolarHBondContact O-N 3.01Å; P87-S91 PolarHBondContact O-OG 3.45Å
88H96.8Very high94.8Very high151 Ų15173.5 Ų73.570%0.69938%0.384SS*.Hα-helixtrans-67.3-36.8179.3-55.5-49.5000112.4E86 L92E86-H88 PolarHBondContact O-N 2.68Å; H88-L92 WeakPolarHBondContact O-CB 3.07Å; H88-L92 PolarHBondContact O-N 2.9Å
89F95.9Very high94.5Very high66 Ų6675.5 Ų75.529%0.28939%0.392SS..Hα-helixtrans-71.4-43.1177.5-163.7-95.9000111I83 L84 E86 P87 L92 L93I83-F89 HydrophobicContact CG2-CD2 4.45Å; I83-F89 WeakPolarHBondContact O-CB 3.37Å; L84-F89 HydrophobicContact CD2-CD1 3.99Å; L84-F89 HydrophobicContact CD2-CE1 3.3Å; L84-F89 HydrophobicContact CD2-CZ 3.88Å; E86-F89 HydrophobicContact CB-CB 4.42Å; E86-F89 PolarHBondContact O-N 3.41Å; P87-F89 PolarHBondContact O-N 2.63Å; F89-L92 WeakPolarHBondContact O-CB 3.28Å; F89-L92 PolarHBondContact O-N 3.09Å; F89-L93 HydrophobicContact CD1-CD1 3.86Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.62Å; F89-L93 HydrophobicContact CE1-CD2 4.42Å; F89-L93 HydrophobicContact CE1-CG 4.07Å; F89-L93 WeakPolarHBondContact O-CG 3.13Å; F89-L93 PolarHBondContact O-N 3.23Å
90Q94.6Very high94.1Very high38 Ų3871 Ų7118%0.17838%0.377CS..Hα-helixtrans-59.7-47.9174.3-69.2-74.5-2000111.5L84 E86 P87 L92 L93 E94L84-Q90 PolarHBondContact O-NE2 2.83Å; E86-Q90 WeakPolarHBondContact O-CG 3.47Å; E86-Q90 PolarHBondContact O-N 3.27Å; P87-Q90 PolarHBondContact O-N 3.19Å; Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 3.49Å; Q90-L93 PolarHBondContact O-N 3.12Å; Q90-E94 WeakPolarHBondContact O-CB 3.48Å; Q90-E94 PolarHBondContact O-N 3.15Å
91S94.4Very high93.7Very high62 Ų6270 Ų7043%0.43438%0.376SS..Hα-helixtrans-62.7-35.2176.1-63.60000113P87 T95P87-S91 WeakPolarHBondContact O-CB 3.41Å; P87-S91 PolarHBondContact O-N 3.01Å; P87-S91 PolarHBondContact O-OG 3.45Å; S91-T95 VanDerWaalsContact O-CB 3.31Å; S91-T95 WeakPolarHBondContact O-CB 3.44Å; S91-T95 PolarHBondContact O-N 3.3Å; S91-T95 PolarHBondContact O-OG1 2.8Å
92L95.6Very high93.1Very high110 Ų11074.6 Ų74.658%0.57639%0.394SS*.Hα-helixtrans-63.2-44.9174.8177.365.2000111.2H88 F89 Q90 T95 H96H88-L92 WeakPolarHBondContact O-CB 3.07Å; H88-L92 PolarHBondContact O-N 2.9Å; F89-L92 WeakPolarHBondContact O-CB 3.28Å; F89-L92 PolarHBondContact O-N 3.09Å; Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 3.49Å; L92-T95 PolarHBondContact O-N 3.37Å; L92-H96 WeakPolarHBondContact O-CB 3.27Å; L92-H96 PolarHBondContact O-N 3.27Å
93L94.5Very high91.8Very high22 Ų2272.5 Ų72.512%0.11539%0.39CS..Hα-helixtrans-67.5-42.8178.4-68.3177.8000112.6N56 L57 V60 F89 Q90 T95 H96 D97N56-L93 HydrophobicContact CB-CD2 4Å; L57-L93 HydrophobicContact CD1-CB 4.39Å; V60-L93 HydrophobicContact CB-CD1 4.18Å; V60-L93 HydrophobicContact CG2-CD1 3.53Å; F89-L93 HydrophobicContact CD1-CD1 3.86Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.62Å; F89-L93 HydrophobicContact CE1-CD2 4.42Å; F89-L93 HydrophobicContact CE1-CG 4.07Å; F89-L93 WeakPolarHBondContact O-CG 3.13Å; F89-L93 PolarHBondContact O-N 3.23Å; Q90-L93 PolarHBondContact O-N 3.12Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3.46Å; L93-H96 WeakPolarHBondContact O-CB 2.78Å; L93-H96 PolarHBondContact O-N 3.24Å; L93-D97 PolarHBondContact O-N 3.03Å
94E91Very high90.4Very high125 Ų12575.5 Ų75.558%0.58440%0.398SS*.Hα-helixtrans-59.6-44.9174.9-175.7-179.7-171.600111.1Q90 H96 D97 S98Q90-E94 WeakPolarHBondContact O-CB 3.48Å; Q90-E94 PolarHBondContact O-N 3.15Å; E94-H96 PolarHBondContact O-N 3.49Å; E94-D97 PolarHBondContact O-N 2.74Å; E94-S98 WeakPolarHBondContact O-CB 3.44Å; E94-S98 PolarHBondContact O-N 2.96Å
95T91.4Very high88.7Confident85 Ų8579.6 Ų79.652%0.52142%0.417SS..Hα-helixtrans-63.1-43.3175.8-57.10000111S91 L92 L93 S98 V99S91-T95 VanDerWaalsContact O-CB 3.31Å; S91-T95 WeakPolarHBondContact O-CB 3.44Å; S91-T95 PolarHBondContact O-N 3.3Å; S91-T95 PolarHBondContact O-OG1 2.8Å; L92-T95 PolarHBondContact O-N 3.37Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3.46Å; T95-S98 PolarHBondContact O-N 3.21Å; T95-V99 WeakPolarHBondContact O-CG2 3.44Å; T95-V99 PolarHBondContact O-N 2.99Å
96H92.9Very high86.5Confident71 Ų7178.7 Ų78.733%0.32942%0.42SS..Hα-helixtrans-58.7-49.8176.2173.9-80.2000111.4R53 N56 L92 L93 E94 S98 V99 A100R53-H96 PolarHBondContact O-CE1 3.01Å; R53-H96 VanDerWaalsContact O-CE1 3.24Å; N56-H96 PolarHBondContact ND2-CE1 3.35Å; N56-H96 PolarHBondContact ND2-ND1 3.34Å; N56-H96 VanDerWaalsContact ND2-ND1 3.14Å; L92-H96 WeakPolarHBondContact O-CB 3.27Å; L92-H96 PolarHBondContact O-N 3.27Å; L93-H96 WeakPolarHBondContact O-CB 2.78Å; L93-H96 PolarHBondContact O-N 3.24Å; E94-H96 PolarHBondContact O-N 3.49Å; H96-S98 VanDerWaalsContact C-N 3.34Å; H96-S98 PolarHBondContact O-N 3.2Å; H96-V99 PolarHBondContact O-N 2.69Å; H96-A100 VanDerWaalsContact O-CB 3.27Å; H96-A100 WeakPolarHBondContact O-CB 3.28Å; H96-A100 PolarHBondContact O-N 3.39Å
97D91.2Very high84.2Confident20 Ų2079.3 Ų79.311%0.10743%0.431CS..Hα-helixtrans-65.3-36.8-179.4-71.9-13.8000111.9N55 N56 L57 L93 E94 A100 S101N55-D97 WeakPolarHBondContact CA-OD2 3.32Å; N55-D97 PolarHBondContact N-OD1 3.17Å; N56-D97 WeakPolarHBondContact CB-OD1 3.15Å; N56-D97 VanDerWaalsContact N-CG 3.28Å; N56-D97 PolarHBondContact N-OD1 3.39Å; N56-D97 PolarHBondContact N-OD2 2.96Å; N56-D97 PolarHBondContact ND2-OD1 2.83Å; L57-D97 PolarHBondContact N-OD2 3Å; L93-D97 PolarHBondContact O-N 3.03Å; E94-D97 PolarHBondContact O-N 2.74Å; D97-A100 PolarHBondContact O-N 3.26Å; D97-S101 VanDerWaalsContact O-CB 3.25Å; D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.25Å; D97-S101 PolarHBondContact O-OG 3.36Å
98S89.1Confident82.1Confident50 Ų5080.6 Ų80.635%0.3544%0.439SS..Hα-helixtrans-63.4-41.4174-177.90000112.8E94 T95 H96 S101 K102 T103E94-S98 WeakPolarHBondContact O-CB 3.44Å; E94-S98 PolarHBondContact O-N 2.96Å; T95-S98 PolarHBondContact O-N 3.21Å; H96-S98 VanDerWaalsContact C-N 3.34Å; H96-S98 PolarHBondContact O-N 3.2Å; S98-S101 PolarHBondContact O-OG 2.91Å; S98-K102 PolarHBondContact O-N 3.34Å; S98-T103 PolarHBondContact O-N 3.48Å; S98-T103 VanDerWaalsContact O-N 3.12Å
99V88.9Confident79.6Confident83 Ų8379.4 Ų79.450%0.50344%0.444SS..Hα-helixtrans-71.1-43.3175.4175.10000111.1T95 H96 S101 K102 Y104T95-V99 WeakPolarHBondContact O-CG2 3.44Å; T95-V99 PolarHBondContact O-N 2.99Å; H96-V99 PolarHBondContact O-N 2.69Å; V99-S101 PolarHBondContact O-N 3.26Å; V99-K102 PolarHBondContact O-N 2.91Å; V99-K102 VanDerWaalsContact O-N 3.15Å; V99-Y104 HydrophobicContact CB-CE1 4.48Å; V99-Y104 HydrophobicContact CG1-CE1 4.2Å; V99-Y104 WeakPolarHBondContact O-CE1 3.15Å
100A89Confident77.1Confident30 Ų3080.6 Ų80.625%0.24846%0.461CS..Hα-helixtrans-62-42.617900000112.3A51 D54 H96 D97 K102A51-A100 HydrophobicContact CB-CB 3.41Å; A51-A100 VanDerWaalsContact CB-CB 3.41Å; D54-A100 HydrophobicContact CB-CB 4.31Å; H96-A100 VanDerWaalsContact O-CB 3.27Å; H96-A100 WeakPolarHBondContact O-CB 3.28Å; H96-A100 PolarHBondContact O-N 3.39Å; D97-A100 PolarHBondContact O-N 3.26Å; A100-K102 PolarHBondContact O-N 3.44Å
101S87.3Confident74.5Confident57 Ų5785.7 Ų85.740%0.39950%0.498SS..THydrogen-bonded Turntrans-76.8-5177.660.10000114D97 S98 V99 T103D97-S101 VanDerWaalsContact O-CB 3.25Å; D97-S101 WeakPolarHBondContact O-CB 3.48Å; D97-S101 PolarHBondContact O-N 3.25Å; D97-S101 PolarHBondContact O-OG 3.36Å; S98-S101 PolarHBondContact O-OG 2.91Å; V99-S101 PolarHBondContact O-N 3.26Å; S101-T103 PolarHBondContact O-N 3.14Å; S101-T103 PolarHBondContact OG-OG1 3.17Å
102K83.1Confident72Confident107 Ų10784.8 Ų84.847%0.46550%0.498SS..THydrogen-bonded Turntrans5630-176.1-62.2168.9146.7-108.60112.8S98 V99 A100 Y104 E105S98-K102 PolarHBondContact O-N 3.34Å; V99-K102 PolarHBondContact O-N 2.91Å; V99-K102 VanDerWaalsContact O-N 3.15Å; A100-K102 PolarHBondContact O-N 3.44Å; K102-Y104 HydrophobicContact CB-CE1 4.37Å; K102-Y104 HydrophobicContact CG-CE1 4.36Å; K102-Y104 PolarHBondContact O-N 3.01Å; K102-E105 HydrophobicContact CB-CB 4.03Å; K102-E105 WeakPolarHBondContact CD-OE2 3.15Å; K102-E105 VanDerWaalsContact NZ-CD 3.31Å; K102-E105 IonicContact NZ-OE1 2.75Å; K102-E105 PolarHBondContact NZ-OE1 3.28Å; K102-E105 IonicContact NZ-OE2 2.97Å; K102-E105 PolarHBondContact NZ-OE2 2.86Å; K102-E105 WeakPolarHBondContact O-CA 3.27Å; K102-E105 WeakPolarHBondContact O-CB 3.46Å; K102-E105 PolarHBondContact O-N 3.2Å
103T70.4Confident69.4Low82 Ų8288.2 Ų88.250%0.50352%0.516SS..G310 helixtrans-68.3-18.8178.6-56.80000111.7S98 S101 E105 T106S98-T103 PolarHBondContact O-N 3.48Å; S98-T103 VanDerWaalsContact O-N 3.12Å; S101-T103 PolarHBondContact O-N 3.14Å; S101-T103 PolarHBondContact OG-OG1 3.17Å; T103-E105 PolarHBondContact O-N 3.46Å; T103-T106 PolarHBondContact O-OG1 3.4Å
104Y68.3Low66.8Low128 Ų12891.7 Ų91.750%0.50254%0.535SS..G310 helixtrans-70.7-19.8168.868.3-93.8000113.5V99 K102 T106V99-Y104 HydrophobicContact CB-CE1 4.48Å; V99-Y104 HydrophobicContact CG1-CE1 4.2Å; V99-Y104 WeakPolarHBondContact O-CE1 3.15Å; K102-Y104 HydrophobicContact CB-CE1 4.37Å; K102-Y104 HydrophobicContact CG-CE1 4.36Å; K102-Y104 PolarHBondContact O-N 3.01Å; Y104-T106 VanDerWaalsContact C-N 3.33Å
105E60.4Low64.8Low100 Ų10091.2 Ų91.247%0.46754%0.542SS..G310 helixtrans-86.4-9.4-171.4-132167.9-123.200111.2K102 T103 P107K102-E105 HydrophobicContact CB-CB 4.03Å; K102-E105 WeakPolarHBondContact CD-OE2 3.15Å; K102-E105 VanDerWaalsContact NZ-CD 3.31Å; K102-E105 IonicContact NZ-OE1 2.75Å; K102-E105 PolarHBondContact NZ-OE1 3.28Å; K102-E105 IonicContact NZ-OE2 2.97Å; K102-E105 PolarHBondContact NZ-OE2 2.86Å; K102-E105 WeakPolarHBondContact O-CA 3.27Å; K102-E105 WeakPolarHBondContact O-CB 3.46Å; K102-E105 PolarHBondContact O-N 3.2Å; T103-E105 PolarHBondContact O-N 3.46Å; E105-P107 WeakPolarHBondContact O-CD 3.4Å; E105-P107 VanDerWaalsContact O-N 3.09Å
106T48.3Very low62.5Low100 Ų10092.2 Ų92.261%0.61355%0.548SS*.SBendtrans-63.9112167.748.90000108.1T103 Y104T103-T106 PolarHBondContact O-OG1 3.4Å; Y104-T106 VanDerWaalsContact C-N 3.33Å
107P50.1Low60.3Low93 Ų9395.5 Ų95.560%0.60456%0.562SS**  trans-58.5146170.313.1-7000107.2E105E105-P107 WeakPolarHBondContact O-CD 3.4Å; E105-P107 VanDerWaalsContact O-N 3.09Å
108P50.2Low58.3Low113 Ų11397.1 Ų97.173%0.73458%0.575SS**SBendtrans-48.3134.616223.1-31.7000106.4S110P108-S110 PolarHBondContact O-N 3.13Å
109P45.6Very low56.3Low125 Ų125102 Ų10281%0.81260%0.597SS**  trans-47.7114.7-175.417.8-30.4000107.3
110S41.8Very low54.4Low91 Ų91104.8 Ų104.864%0.63660%0.604SS**  trans-47.1134175.2-45.50000106P108 G112P108-S110 PolarHBondContact O-N 3.13Å; S110-G112 PolarHBondContact O-N 3.11Å
111P41.6Very low52.4Low146 Ų146109.1 Ų109.195%0.94863%0.63SS**SBendtrans-68.576.5171.527.2-30.5000107.6
112G40.6Very low50.9Low43 Ų43110.3 Ų110.344%0.44364%0.635SS.*  trans-129.9102.4-176.100000106.5S110 D114S110-G112 PolarHBondContact O-N 3.11Å; G112-D114 PolarHBondContact O-N 3.42Å
113L42.6Very low49.8Very low181 Ų181109.3 Ų109.395%0.94864%0.639SS**  24.738.2128.5-59.6171.7000119P115L113-P115 VanDerWaalsContact O-CD 3.28Å; L113-P115 WeakPolarHBondContact O-CD 3.35Å
114D39.1Very low49.2Very low96 Ų96111.8 Ų111.851%0.51366%0.657SS.*  trans-97.9105.5166.4-92.1-29.9000108.6G112 T116 F117G112-D114 PolarHBondContact O-N 3.42Å; D114-T116 PolarHBondContact O-N 3.25Å; D114-F117 HydrophobicContact CB-CD2 3.62Å; D114-F117 HydrophobicContact CB-CE2 4.18Å; D114-F117 PolarHBondContact O-N 3.4Å
115P48.6Very low48.9Very low115 Ų115113 Ų11375%0.74767%0.672SS**THydrogen-bonded Turntrans-64.8-3.8177.225.7-32.5000113.2L113L113-P115 VanDerWaalsContact O-CD 3.28Å; L113-P115 WeakPolarHBondContact O-CD 3.35Å
116T44.5Very low49.4Very low105 Ų105110.8 Ų110.864%0.64467%0.67SS**THydrogen-bonded Turntrans-90-23.6-178.855.30000113.6D114 S118D114-T116 PolarHBondContact O-N 3.25Å; T116-S118 VanDerWaalsContact C-N 3.3Å
117F45.1Very low51Low141 Ų141112 Ų11262%0.61868%0.678SS**G310 helixtrans-80.7-8.9175-75.8-79000113.6D114 N119D114-F117 HydrophobicContact CB-CD2 3.62Å; D114-F117 HydrophobicContact CB-CE2 4.18Å; D114-F117 PolarHBondContact O-N 3.4Å; F117-N119 PolarHBondContact O-N 2.72Å; F117-N119 VanDerWaalsContact O-N 3.17Å
118S49.9Very low52.7Low53 Ų53112.5 Ų112.537%0.37167%0.667SS.*G310 helixtrans-68.6-11.9179.9-154.50000113.7T116T116-S118 VanDerWaalsContact C-N 3.3Å
119N46Very low54.4Low153 Ų153116.3 Ų116.382%0.81868%0.678SS**G310 helixtrans-107.23.8-173.3-10610.5000115.1F117F117-N119 PolarHBondContact O-N 2.72Å; F117-N119 VanDerWaalsContact O-N 3.17Å
120Q49.1Very low56.2Low141 Ų141112.5 Ų112.566%0.65965%0.652SS**SBendtrans-79126.6175.6-134177.4-13.600109.2V122Q120-V122 PolarHBondContact O-N 3.01Å
121P47.5Very low58.2Low121 Ų121111 Ų11179%0.78665%0.651SS**  trans-60.5105.9176.7-19.930.8000109.4
122V56.1Low60.2Low82 Ų82106.8 Ų106.850%0.49762%0.62SS.*  trans-67.4133.3172.3179.80000107.1Q120 A126Q120-V122 PolarHBondContact O-N 3.01Å; V122-A126 HydrophobicContact CG1-CB 3.53Å
123P60.5Low62Low87 Ų87115.4 Ų115.457%0.56564%0.639SS**  trans-51.8143.4174.8-25.733.3000110.8D125 A126P123-D125 PolarHBondContact O-N 3.11Å; P123-A126 HydrophobicContact CB-CB 4.36Å; P123-A126 PolarHBondContact O-N 3.47Å
124P56.5Low63.7Low133 Ų133112.2 Ų112.286%0.86462%0.617SS**THydrogen-bonded Turntrans-57.9-18.6-172.320.5-31.8000114.9
125D62.3Low65.7Low155 Ų155112.2 Ų112.283%0.82962%0.621SS**THydrogen-bonded Turntrans-105.53.9-179.8-64.1-27.7000114.3P123P123-D125 PolarHBondContact O-N 3.11Å
126A72.1Confident67Low52 Ų52111.7 Ų111.743%0.4363%0.626SS.*  trans-86.2123.9-177.400000112.1V122 P123V122-A126 HydrophobicContact CG1-CB 3.53Å; P123-A126 HydrophobicContact CB-CB 4.36Å; P123-A126 PolarHBondContact O-N 3.47Å
127V81.4Confident68.4Low126 Ų126110.6 Ų110.676%0.76464%0.636SS**  trans-86.1133.6175.4-179.30000109.8
128R85.3Confident70.2Confident104 Ų104107.4 Ų107.439%0.39262%0.623SS.*  trans-123.9139.9177.266.9-171.4-177.1115.94.3111.7V130 L167 D172R128-V130 HydrophobicContact CG-CG2 4.43Å; R128-L167 PolarHBondContact NH1-O 3.06Å; R128-L167 PolarHBondContact NH2-O 3.47Å; R128-D172 IonicContact CZ-OD2 3.39Å; R128-D172 IonicContact NH2-OD2 3.17Å; R128-D172 PolarHBondContact NH2-OD2 3.04Å
129M85.4Confident71.8Confident193 Ų193110.9 Ų110.995%0.95163%0.633SS**  trans-89.2128.2175.3-174175.1-68.400110.2
130V83.8Confident73.8Confident44 Ų44106.2 Ų106.227%0.26761%0.608SS.*  trans-116.8119.5178.6-178.90000109.8R128 I132 L167 L168R128-V130 HydrophobicContact CG-CG2 4.43Å; V130-I132 HydrophobicContact CG1-CG1 4.15Å; V130-L167 HydrophobicContact CG1-CB 3.61Å; V130-L167 HydrophobicContact CG1-CD1 3.87Å; V130-L167 HydrophobicContact CG1-CG 4.38Å; V130-L168 HydrophobicContact CB-CD2 4.33Å; V130-L168 HydrophobicContact CG1-CD2 4.4Å; V130-L168 HydrophobicContact CG1-CG 4.34Å; V130-L168 HydrophobicContact CG2-CD2 3.95Å
131G85.2Confident75.7Confident59 Ų5999.8 Ų99.861%0.60858%0.579SS**  trans-87.7113.7174.400000111.3
132I81.7Confident77.8Confident59 Ų5995.1 Ų95.130%0.30355%0.548SS..  trans-104.8117.5176.1-59176.7000109.2V130 L140 M161 V162 L168V130-I132 HydrophobicContact CG1-CG1 4.15Å; I132-L140 HydrophobicContact CG2-CD2 3.67Å; I132-M161 HydrophobicContact CG2-SD 3.8Å; I132-V162 HydrophobicContact CD1-CG2 4.22Å; I132-L168 HydrophobicContact CD1-CD1 3.87Å
133R78.9Confident79.4Confident224 Ų22494.2 Ų94.285%0.84554%0.543SS*.  trans-91117.9171.7-55.6-177.287.9-166.87.9108.7Q165R133-Q165 PolarHBondContact O-NE2 3.04Å
134K78.7Confident80.9Confident114 Ų11493.4 Ų93.450%0.49653%0.531SS..  trans-121.3136.7-178.2161.7171.1156.7162.80111.6E138 L140 M161K134-E138 WeakPolarHBondContact CD-O 3.47Å; K134-E138 WeakPolarHBondContact CE-O 3.29Å; K134-E138 PolarHBondContact NZ-O 3.14Å; K134-L140 HydrophobicContact CB-CD2 4.31Å; K134-L140 HydrophobicContact CD-CD2 3.9Å; K134-L140 HydrophobicContact CD-CG 4.49Å; K134-M161 HydrophobicContact CB-CE 3.73Å; K134-M161 HydrophobicContact CB-SD 3.67Å; K134-M161 HydrophobicContact CG-CE 3.83Å; K134-M161 HydrophobicContact CG-SD 4.3Å
135T80.9Confident82.5Confident96 Ų9691.9 Ų91.959%0.58951%0.508SS*.  trans-77.1142.9168.8-42.70000110.2G137 E138T135-G137 PolarHBondContact O-N 3.44Å; T135-E138 WeakPolarHBondContact O-CB 3.49Å; T135-E138 PolarHBondContact O-N 2.91Å; T135-E138 VanDerWaalsContact O-N 3.09Å; T135-E138 PolarHBondContact OG1-OE2 3.01Å
136A76.2Confident83.9Confident103 Ų10387.4 Ų87.485%0.85149%0.486SS*.THydrogen-bonded Turntrans-56.9127.8176.900000110.8
137G74.8Confident84.6Confident82 Ų8290 Ų9085%0.84549%0.489SS*.THydrogen-bonded Turntrans91.8-12.1-177.400000115.8T135T135-G137 PolarHBondContact O-N 3.44Å
138E82.4Confident84.7Confident74 Ų7488.2 Ų88.235%0.34650%0.496SS..  trans-86.3133.8-178.7-164.1178.4174.500111.7K134 T135 M161K134-E138 WeakPolarHBondContact CD-O 3.47Å; K134-E138 WeakPolarHBondContact CE-O 3.29Å; K134-E138 PolarHBondContact NZ-O 3.14Å; T135-E138 WeakPolarHBondContact O-CB 3.49Å; T135-E138 PolarHBondContact O-N 2.91Å; T135-E138 VanDerWaalsContact O-N 3.09Å; T135-E138 PolarHBondContact OG1-OE2 3.01Å; E138-M161 HydrophobicContact CB-CE 3.87Å; E138-M161 HydrophobicContact CG-CE 3.57Å; E138-M161 WeakPolarHBondContact OE1-CE 3.36Å; E138-M161 WeakPolarHBondContact OE2-CE 3.4Å
139H83.9Confident84.7Confident127 Ų12785.2 Ų85.259%0.58850%0.498SS*.  trans-82.7147.2176.156.854.9000111.3G141H139-G141 PolarHBondContact O-N 3.31Å
140L86.8Confident84.8Confident55 Ų5579.2 Ų79.229%0.28847%0.468SS..  trans-64.6-26177.6-65.6-174.7000112.7I132 K134 V142 M161 V162I132-L140 HydrophobicContact CG2-CD2 3.67Å; K134-L140 HydrophobicContact CB-CD2 4.31Å; K134-L140 HydrophobicContact CD-CD2 3.9Å; K134-L140 HydrophobicContact CD-CG 4.49Å; L140-V142 HydrophobicContact CB-CG2 3.93Å; L140-M161 HydrophobicContact CD2-SD 3.58Å; L140-M161 VanDerWaalsContact CD2-SD 3.58Å; L140-V162 HydrophobicContact CB-CG2 3.97Å; L140-V162 WeakPolarHBondContact O-CB 3.31Å; L140-V162 VanDerWaalsContact O-CG2 3.29Å; L140-V162 WeakPolarHBondContact O-CG2 3.41Å; L140-V162 PolarHBondContact O-N 2.94Å
141G89.4Confident85.1Confident5 Ų577.8 Ų77.85%0.05246%0.458CS..  trans75.234.3-17800000112.7H139 L157H139-G141 PolarHBondContact O-N 3.31Å; G141-L157 WeakPolarHBondContact O-CB 3.5Å; G141-L157 PolarHBondContact O-N 3.18Å
142V91Very high85.4Confident24 Ų2475.4 Ų75.415%0.14543%0.432CS..EExtended strand (participates in β ladder)trans-124.6148.8176.3-64.90000110.1L140 F144 R155 I156 V162L140-V142 HydrophobicContact CB-CG2 3.93Å; V142-F144 HydrophobicContact CB-CZ 4.35Å; V142-F144 HydrophobicContact CG2-CE1 4.43Å; V142-F144 HydrophobicContact CG2-CE2 3.63Å; V142-F144 HydrophobicContact CG2-CZ 3.52Å; V142-R155 WeakPolarHBondContact CA-O 3.37Å; V142-I156 HydrophobicContact CG1-CG1 4.24Å; V142-I156 HydrophobicContact CG1-CG2 4.47Å; V142-V162 HydrophobicContact CG1-CB 3.62Å; V142-V162 HydrophobicContact CG1-CG1 3.61Å; V142-V162 HydrophobicContact CG1-CG2 3.69Å
143T90.1Very high85.9Confident63 Ų6372.6 Ų72.639%0.38742%0.417SS..EExtended strand (participates in β ladder)trans-122.1139.1170.6630000109.2A154 R155T143-A154 WeakPolarHBondContact O-CB 3.43Å; T143-A154 PolarHBondContact O-N 2.92Å; T143-R155 PolarHBondContact N-O 3.19Å; T143-R155 PolarHBondContact O-N 3.42Å; T143-R155 VanDerWaalsContact OG1-CB 3.25Å; T143-R155 WeakPolarHBondContact OG1-CB 3.3Å; T143-R155 PolarHBondContact OG1-N 3.04Å
144F91.8Very high86.6Confident70 Ų7063.5 Ų63.531%0.30739%0.39SS..EExtended strand (participates in β ladder)trans-105.9156.3-179.9-57.2-81.4000111.4V142 L151 V152 I153 I174V142-F144 HydrophobicContact CB-CZ 4.35Å; V142-F144 HydrophobicContact CG2-CE1 4.43Å; V142-F144 HydrophobicContact CG2-CE2 3.63Å; V142-F144 HydrophobicContact CG2-CZ 3.52Å; F144-L151 HydrophobicContact CB-CD1 3.62Å; F144-L151 HydrophobicContact CB-CD2 4.48Å; F144-L151 HydrophobicContact CB-CG 3.96Å; F144-L151 HydrophobicContact CD1-CD2 4.14Å; F144-L151 HydrophobicContact CD1-CG 4Å; F144-L151 HydrophobicContact CG-CD1 4.25Å; F144-L151 HydrophobicContact CG-CD2 4.21Å; F144-L151 HydrophobicContact CG-CG 4.11Å; F144-V152 CarbonylContact C-O 3.56Å; F144-V152 WeakPolarHBondContact CA-O 3.26Å; F144-I153 HydrophobicContact CD1-CG1 4.11Å; F144-I153 HydrophobicContact CE1-CG1 3.78Å; F144-I174 HydrophobicContact CD1-CG1 4.25Å; F144-I174 HydrophobicContact CE1-CD1 4.4Å; F144-I174 HydrophobicContact CE1-CG1 3.66Å
145R90.9Very high87.2Confident100 Ų10065.4 Ų65.438%0.37739%0.394SS..EExtended strand (participates in β ladder)trans-133.4158.8165.270.7177.2-174.2-91.2-1.9108.8E147 V152 A154R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 VanDerWaalsContact CZ-OE2 3.29Å; R145-E147 IonicContact NE-OE2 2.74Å; R145-E147 PolarHBondContact NE-OE2 3.42Å; R145-E147 IonicContact NH2-OE2 3.03Å; R145-E147 PolarHBondContact NH2-OE2 2.88Å; R145-V152 HydrophobicContact CG-CB 4.23Å; R145-V152 PolarHBondContact N-O 3.26Å; R145-V152 PolarHBondContact O-N 2.91Å; R145-A154 HydrophobicContact CB-CB 4.06Å; R145-A154 HydrophobicContact CG-CB 3.99Å
146V90.8Very high87.7Confident62 Ų6262 Ų6238%0.37637%0.372SS..EExtended strand (participates in β ladder)trans-100.9123.6174-177.90000108.8E150 L151 S184V146-E150 WeakPolarHBondContact CA-O 3.45Å; V146-L151 HydrophobicContact CG2-CD1 4.19Å; V146-S184 WeakPolarHBondContact CG2-O 3.27Å
147E87.5Confident88.4Confident106 Ų10660.5 Ų60.550%0.49535%0.349SS..EExtended strand (participates in β ladder)trans-134119.2179.8-168.8171.5170.300109R145 G149 E150 V152R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 VanDerWaalsContact CZ-OE2 3.29Å; R145-E147 IonicContact NE-OE2 2.74Å; R145-E147 PolarHBondContact NE-OE2 3.42Å; R145-E147 IonicContact NH2-OE2 3.03Å; R145-E147 PolarHBondContact NH2-OE2 2.88Å; E147-G149 PolarHBondContact O-N 2.84Å; E147-G149 VanDerWaalsContact O-N 3.14Å; E147-E150 PolarHBondContact N-O 2.94Å; E147-E150 WeakPolarHBondContact O-CB 3.25Å; E147-E150 PolarHBondContact O-N 3.45Å; E147-V152 HydrophobicContact CB-CG2 4Å
148G83.6Confident88.7Confident88 Ų8865.1 Ų65.191%0.90735%0.348SS*.THydrogen-bonded Turntrans62.819.9-177.900000115.2
149G84.4Confident88.6Confident42 Ų4264.3 Ų64.343%0.43336%0.36SS..THydrogen-bonded Turntrans89-0.5-17500000114.4E147E147-G149 PolarHBondContact O-N 2.84Å; E147-G149 VanDerWaalsContact O-N 3.14Å
150E87.5Confident88.5Confident67 Ų6758.6 Ų58.631%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-102.9143.3-179.3-64.7-69.7161.700111.3V146 E147 V152 I173 K175V146-E150 WeakPolarHBondContact CA-O 3.45Å; E147-E150 PolarHBondContact N-O 2.94Å; E147-E150 WeakPolarHBondContact O-CB 3.25Å; E147-E150 PolarHBondContact O-N 3.45Å; E150-V152 HydrophobicContact CB-CG2 4.43Å; E150-V152 PolarHBondContact O-N 3.44Å; E150-I173 HydrophobicContact CB-CG2 3.92Å; E150-I173 HydrophobicContact CG-CG2 4.33Å; E150-I173 WeakPolarHBondContact OE2-CG2 3.41Å; E150-K175 IonicContact OE1-NZ 3.29Å; E150-K175 PolarHBondContact OE1-NZ 3.24Å; E150-K175 WeakPolarHBondContact OE2-CE 3.46Å; E150-K175 IonicContact OE2-NZ 3.92Å; E150-K175 PolarHBondContact OE2-NZ 3.08Å
151L90.3Very high88.4Confident13 Ų1356.4 Ų56.47%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-85.4108176.7-168.872000109.8F144 V146 I174 V182 P186F144-L151 HydrophobicContact CB-CD1 3.62Å; F144-L151 HydrophobicContact CB-CD2 4.48Å; F144-L151 HydrophobicContact CB-CG 3.96Å; F144-L151 HydrophobicContact CD1-CD2 4.14Å; F144-L151 HydrophobicContact CD1-CG 4Å; F144-L151 HydrophobicContact CG-CD1 4.25Å; F144-L151 HydrophobicContact CG-CD2 4.21Å; F144-L151 HydrophobicContact CG-CG 4.11Å; V146-L151 HydrophobicContact CG2-CD1 4.19Å; L151-I174 HydrophobicContact CD2-CB 4.34Å; L151-I174 PolarHBondContact O-N 3.46Å; L151-V182 HydrophobicContact CB-CG2 3.97Å; L151-V182 HydrophobicContact CD2-CB 4.02Å; L151-V182 HydrophobicContact CD2-CG1 4.33Å; L151-V182 HydrophobicContact CD2-CG2 4.01Å; L151-P186 HydrophobicContact CD1-CB 4.42Å
152V91.8Very high88.3Confident9 Ų956.2 Ų56.26%0.05532%0.322CS..EExtended strand (participates in β ladder)trans-110137.9-173.2-172.20000110.9F144 R145 E147 E150 A154 D172 I173F144-V152 CarbonylContact C-O 3.56Å; F144-V152 WeakPolarHBondContact CA-O 3.26Å; R145-V152 HydrophobicContact CG-CB 4.23Å; R145-V152 PolarHBondContact N-O 3.26Å; R145-V152 PolarHBondContact O-N 2.91Å; E147-V152 HydrophobicContact CB-CG2 4Å; E150-V152 HydrophobicContact CB-CG2 4.43Å; E150-V152 PolarHBondContact O-N 3.44Å; V152-A154 PolarHBondContact O-N 3.24Å; V152-A154 VanDerWaalsContact O-N 3.12Å; V152-D172 WeakPolarHBondContact CA-O 3.35Å; V152-I173 HydrophobicContact CG2-CG1 4.28Å
153I92.4Very high88Confident0 Ų057 Ų570%033%0.331CS..EExtended strand (participates in β ladder)trans-67112.4172.2-59.4-175.1000109.4F144 I156 L168 G171 D172 I174F144-I153 HydrophobicContact CD1-CG1 4.11Å; F144-I153 HydrophobicContact CE1-CG1 3.78Å; I153-I156 HydrophobicContact CG2-CD1 4.4Å; I153-I156 HydrophobicContact CG2-CG1 3.86Å; I153-L168 HydrophobicContact CD1-CB 3.78Å; I153-L168 HydrophobicContact CD1-CD1 3.97Å; I153-L168 HydrophobicContact CD1-CD2 4.31Å; I153-L168 HydrophobicContact CD1-CG 4.25Å; I153-G171 PolarHBondContact O-N 3.01Å; I153-D172 HydrophobicContact CD1-CB 4.01Å; I153-D172 HydrophobicContact CG1-CB 4.36Å; I153-D172 PolarHBondContact N-O 2.94Å; I153-I174 HydrophobicContact CD1-CD1 4.21Å; I153-I174 HydrophobicContact CG1-CD1 4.3Å; I153-I174 HydrophobicContact CG1-CG1 4.45Å
154A93Very high87.6Confident33 Ų3361 Ų6127%0.27335%0.346SS..EExtended strand (participates in β ladder)trans-85.4-38.5179.700000113.1T143 R145 V152 V170T143-A154 WeakPolarHBondContact O-CB 3.43Å; T143-A154 PolarHBondContact O-N 2.92Å; R145-A154 HydrophobicContact CB-CB 4.06Å; R145-A154 HydrophobicContact CG-CB 3.99Å; V152-A154 PolarHBondContact O-N 3.24Å; V152-A154 VanDerWaalsContact O-N 3.12Å; A154-V170 WeakPolarHBondContact O-CG1 3.36Å
155R92.1Very high87.1Confident155 Ų15560.8 Ų60.859%0.58535%0.346SS*.EExtended strand (participates in β ladder)trans-154146.3-179.3-166.6177.1179.3171.10.8110.6V142 T143V142-R155 WeakPolarHBondContact CA-O 3.37Å; T143-R155 PolarHBondContact N-O 3.19Å; T143-R155 PolarHBondContact O-N 3.42Å; T143-R155 VanDerWaalsContact OG1-CB 3.25Å; T143-R155 WeakPolarHBondContact OG1-CB 3.3Å; T143-R155 PolarHBondContact OG1-N 3.04Å
156I92.2Very high86.7Confident23 Ų2357.4 Ų57.412%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-112.8125.5167.8-53.6177.3000107.6V142 I153 H158 V162 A163 L168 V170V142-I156 HydrophobicContact CG1-CG1 4.24Å; V142-I156 HydrophobicContact CG1-CG2 4.47Å; I153-I156 HydrophobicContact CG2-CD1 4.4Å; I153-I156 HydrophobicContact CG2-CG1 3.86Å; I156-H158 PolarHBondContact O-N 2.84Å; I156-V162 HydrophobicContact CD1-CG1 4.25Å; I156-V162 HydrophobicContact CG2-CB 4.37Å; I156-V162 HydrophobicContact CG2-CG1 4.13Å; I156-A163 HydrophobicContact CG2-CB 3.83Å; I156-L168 WeakPolarHBondContact CD1-O 3.18Å; I156-V170 HydrophobicContact CD1-CG2 4.39Å; I156-V170 HydrophobicContact CG1-CG2 4.08Å
157L89.1Confident86.4Confident72 Ų7257.8 Ų57.838%0.37734%0.341SS..  trans-74.9123.1178.6-60.1-176.1000109G141 G159 G160 A163G141-L157 WeakPolarHBondContact O-CB 3.5Å; G141-L157 PolarHBondContact O-N 3.18Å; L157-G159 PolarHBondContact O-N 3.47Å; L157-G160 PolarHBondContact O-N 3.42Å; L157-A163 WeakPolarHBondContact O-CB 3.48Å
158H81.9Confident86.4Confident179 Ų17953.7 Ų53.783%0.82932%0.323SS*.THydrogen-bonded Turntrans-62.8132.6-179-70.359.4000109.8I156 G160I156-H158 PolarHBondContact O-N 2.84Å; H158-G160 PolarHBondContact O-N 3.23Å
159G79.4Confident86.7Confident58 Ų5853.7 Ų53.760%0.59830%0.299SS*.THydrogen-bonded Turntrans79.9-5.5-175.200000115.1L157 Q164L157-G159 PolarHBondContact O-N 3.47Å; G159-Q164 PolarHBondContact O-NE2 3.44Å
160G82.7Confident87Confident7 Ų755.9 Ų55.97%0.07230%0.304CS..SBendtrans-73.2164.4171.600000112.8L157 H158 V162 A163 Q164L157-G160 PolarHBondContact O-N 3.42Å; H158-G160 PolarHBondContact O-N 3.23Å; G160-V162 VanDerWaalsContact C-N 3.33Å; G160-V162 PolarHBondContact O-N 3.48Å; G160-A163 WeakPolarHBondContact O-CA 3.35Å; G160-A163 WeakPolarHBondContact O-CB 3.41Å; G160-A163 PolarHBondContact O-N 3.07Å; G160-Q164 WeakPolarHBondContact O-CG 3.37Å; G160-Q164 PolarHBondContact O-N 3.21Å
161M84.9Confident87.1Confident8 Ų854.5 Ų54.54%0.03931%0.308CS..Hα-helixtrans-50.8-48.3-176.7178.1-174.9-59.900113.6I132 K134 E138 L140 A163 Q164 Q165I132-M161 HydrophobicContact CG2-SD 3.8Å; K134-M161 HydrophobicContact CB-CE 3.73Å; K134-M161 HydrophobicContact CB-SD 3.67Å; K134-M161 HydrophobicContact CG-CE 3.83Å; K134-M161 HydrophobicContact CG-SD 4.3Å; E138-M161 HydrophobicContact CB-CE 3.87Å; E138-M161 HydrophobicContact CG-CE 3.57Å; E138-M161 WeakPolarHBondContact OE1-CE 3.36Å; E138-M161 WeakPolarHBondContact OE2-CE 3.4Å; L140-M161 HydrophobicContact CD2-SD 3.58Å; L140-M161 VanDerWaalsContact CD2-SD 3.58Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 3.21Å; M161-Q164 PolarHBondContact O-N 2.92Å; M161-Q165 PolarHBondContact O-N 3.19Å
162V87.2Confident87.1Confident2 Ų255.9 Ų55.91%0.01232%0.315CS..Hα-helixtrans-66.5-35.3-179.7171.60000111.5I132 L140 V142 I156 G160 Q164 Q165 G166 L168I132-V162 HydrophobicContact CD1-CG2 4.22Å; L140-V162 HydrophobicContact CB-CG2 3.97Å; L140-V162 WeakPolarHBondContact O-CB 3.31Å; L140-V162 VanDerWaalsContact O-CG2 3.29Å; L140-V162 WeakPolarHBondContact O-CG2 3.41Å; L140-V162 PolarHBondContact O-N 2.94Å; V142-V162 HydrophobicContact CG1-CB 3.62Å; V142-V162 HydrophobicContact CG1-CG1 3.61Å; V142-V162 HydrophobicContact CG1-CG2 3.69Å; I156-V162 HydrophobicContact CD1-CG1 4.25Å; I156-V162 HydrophobicContact CG2-CB 4.37Å; I156-V162 HydrophobicContact CG2-CG1 4.13Å; G160-V162 VanDerWaalsContact C-N 3.33Å; G160-V162 PolarHBondContact O-N 3.48Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.3Å; V162-Q165 PolarHBondContact O-N 3.45Å; V162-G166 PolarHBondContact O-N 2.95Å; V162-L168 HydrophobicContact CG1-CB 3.8Å; V162-L168 HydrophobicContact CG1-CD1 4.13Å; V162-L168 HydrophobicContact CG1-CG 4.41Å
163A84.2Confident87.1Confident41 Ų4159.6 Ų59.634%0.33933%0.334SS..Hα-helixtrans-65.3-36.4174.600000112.3I156 L157 G160 M161I156-A163 HydrophobicContact CG2-CB 3.83Å; L157-A163 WeakPolarHBondContact O-CB 3.48Å; G160-A163 WeakPolarHBondContact O-CA 3.35Å; G160-A163 WeakPolarHBondContact O-CB 3.41Å; G160-A163 PolarHBondContact O-N 3.07Å; M161-A163 VanDerWaalsContact C-N 3.31Å; M161-A163 PolarHBondContact O-N 3.21Å
164Q82.3Confident87.1Confident147 Ų14760.9 Ų60.969%0.68734%0.34SS*.Hα-helixtrans-72-34.8178.3-65.9178.915.700112.5G159 G160 M161 V162G159-Q164 PolarHBondContact O-NE2 3.44Å; G160-Q164 WeakPolarHBondContact O-CG 3.37Å; G160-Q164 PolarHBondContact O-N 3.21Å; M161-Q164 PolarHBondContact O-N 2.92Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.3Å
165Q81.1Confident86.9Confident65 Ų6564 Ų6430%0.30435%0.348SS..Hα-helixtrans-76.5-30.5177.3-72178.6-8.900112.4R133 M161 V162 L167R133-Q165 PolarHBondContact O-NE2 3.04Å; M161-Q165 PolarHBondContact O-N 3.19Å; V162-Q165 PolarHBondContact O-N 3.45Å; Q165-L167 HydrophobicContact CB-CD1 4.33Å; Q165-L167 HydrophobicContact CB-CG 4.17Å; Q165-L167 WeakPolarHBondContact O-CG 3.45Å; Q165-L167 PolarHBondContact O-N 3.11Å; Q165-L167 VanDerWaalsContact O-N 3.12Å
166G82.4Confident86.9Confident29 Ų2962.6 Ų62.630%0.29935%0.348SS..  trans63.917.4176.700000114.1V162V162-G166 PolarHBondContact O-N 2.95Å
167L83.9Confident86.7Confident69 Ų6965.1 Ų65.136%0.36136%0.364SS..  trans-89.5-19.8-175.4-61.7177.7000113R128 V130 Q165R128-L167 PolarHBondContact NH1-O 3.06Å; R128-L167 PolarHBondContact NH2-O 3.47Å; V130-L167 HydrophobicContact CG1-CB 3.61Å; V130-L167 HydrophobicContact CG1-CD1 3.87Å; V130-L167 HydrophobicContact CG1-CG 4.38Å; Q165-L167 HydrophobicContact CB-CD1 4.33Å; Q165-L167 HydrophobicContact CB-CG 4.17Å; Q165-L167 WeakPolarHBondContact O-CG 3.45Å; Q165-L167 PolarHBondContact O-N 3.11Å; Q165-L167 VanDerWaalsContact O-N 3.12Å
168L88.8Confident86.5Confident20 Ų2069.4 Ų69.411%0.10539%0.387CS..  trans-120.5147.8179-67.2174000110.1V130 I132 I153 I156 V162V130-L168 HydrophobicContact CB-CD2 4.33Å; V130-L168 HydrophobicContact CG1-CD2 4.4Å; V130-L168 HydrophobicContact CG1-CG 4.34Å; V130-L168 HydrophobicContact CG2-CD2 3.95Å; I132-L168 HydrophobicContact CD1-CD1 3.87Å; I153-L168 HydrophobicContact CD1-CB 3.78Å; I153-L168 HydrophobicContact CD1-CD1 3.97Å; I153-L168 HydrophobicContact CD1-CD2 4.31Å; I153-L168 HydrophobicContact CD1-CG 4.25Å; I156-L168 WeakPolarHBondContact CD1-O 3.18Å; V162-L168 HydrophobicContact CG1-CB 3.8Å; V162-L168 HydrophobicContact CG1-CD1 4.13Å; V162-L168 HydrophobicContact CG1-CG 4.41Å
169H89.3Confident86.5Confident88 Ų8863.3 Ų63.341%0.40737%0.373SS..  trans-124.5158.2-178.7-60.3100.2000112.2G171 D172H169-G171 PolarHBondContact O-N 3.29Å; H169-D172 PolarHBondContact N-OD2 2.88Å; H169-D172 WeakPolarHBondContact O-CB 3.44Å; H169-D172 PolarHBondContact O-N 3.19Å; H169-D172 VanDerWaalsContact O-N 3.14Å
170V91.1Very high86.7Confident88 Ų8867 Ų6753%0.53338%0.375SS..THydrogen-bonded Turntrans-63.2129.5170.9177.30000108.5A154 I156A154-V170 WeakPolarHBondContact O-CG1 3.36Å; I156-V170 HydrophobicContact CD1-CG2 4.39Å; I156-V170 HydrophobicContact CG1-CG2 4.08Å
171G89.7Confident86.9Confident39 Ų3971.3 Ų71.340%0.40240%0.401SS..THydrogen-bonded Turntrans97-11.5-174.200000114.6I153 H169I153-G171 PolarHBondContact O-N 3.01Å; H169-G171 PolarHBondContact O-N 3.29Å
172D90.6Very high86.7Confident41 Ų4173 Ų7322%0.21941%0.412CS..PPolyproline II helixtrans-62.2139.6172.3-74.9-3.8000110.4R128 V152 I153 H169R128-D172 IonicContact CZ-OD2 3.39Å; R128-D172 IonicContact NH2-OD2 3.17Å; R128-D172 PolarHBondContact NH2-OD2 3.04Å; V152-D172 WeakPolarHBondContact CA-O 3.35Å; I153-D172 HydrophobicContact CD1-CB 4.01Å; I153-D172 HydrophobicContact CG1-CB 4.36Å; I153-D172 PolarHBondContact N-O 2.94Å; H169-D172 PolarHBondContact N-OD2 2.88Å; H169-D172 WeakPolarHBondContact O-CB 3.44Å; H169-D172 PolarHBondContact O-N 3.19Å; H169-D172 VanDerWaalsContact O-N 3.14Å
173I91.1Very high85.8Confident88 Ų8875.3 Ų75.345%0.45144%0.436SS..EExtended strand (participates in β ladder)trans-97.8125.3177-57.9174.1000109E150 V152 K175E150-I173 HydrophobicContact CB-CG2 3.92Å; E150-I173 HydrophobicContact CG-CG2 4.33Å; E150-I173 WeakPolarHBondContact OE2-CG2 3.41Å; V152-I173 HydrophobicContact CG2-CG1 4.28Å; I173-K175 HydrophobicContact CG2-CD 4.27Å
174I91.4Very high84.8Confident26 Ų2677.1 Ų77.113%0.13345%0.447CS..EExtended strand (participates in β ladder)trans-88.4121174.4-52.7-53.4000108.5F144 L151 I153 V177 V182F144-I174 HydrophobicContact CD1-CG1 4.25Å; F144-I174 HydrophobicContact CE1-CD1 4.4Å; F144-I174 HydrophobicContact CE1-CG1 3.66Å; L151-I174 HydrophobicContact CD2-CB 4.34Å; L151-I174 PolarHBondContact O-N 3.46Å; I153-I174 HydrophobicContact CD1-CD1 4.21Å; I153-I174 HydrophobicContact CG1-CD1 4.3Å; I153-I174 HydrophobicContact CG1-CG1 4.45Å; I174-V177 HydrophobicContact CG2-CG2 3.83Å; I174-V182 HydrophobicContact CB-CG2 4.14Å; I174-V182 HydrophobicContact CG2-CG1 3.96Å; I174-V182 HydrophobicContact CG2-CG2 3.88Å; I174-V182 WeakPolarHBondContact O-CG2 3.43Å
175K90.4Very high83.7Confident99 Ų9977 Ų7743%0.4345%0.451SS..  trans-94.6-42.3175.3-65.7-62.1-172.2178.60112.3E150 I173 V182E150-K175 IonicContact OE1-NZ 3.29Å; E150-K175 PolarHBondContact OE1-NZ 3.24Å; E150-K175 WeakPolarHBondContact OE2-CE 3.46Å; E150-K175 IonicContact OE2-NZ 3.92Å; E150-K175 PolarHBondContact OE2-NZ 3.08Å; I173-K175 HydrophobicContact CG2-CD 4.27Å; K175-V182 PolarHBondContact O-N 3.22Å; K175-V182 VanDerWaalsContact O-N 3.12Å
176E90.7Very high82.4Confident125 Ų12580.3 Ų80.358%0.58448%0.478SS*.EExtended strand (participates in β ladder)trans-146.2151-175.9-58.4-173.9163.300111.3Q180E176-Q180 CarbonylContact C-O 3.54Å; E176-Q180 VanDerWaalsContact CA-O 3.25Å; E176-Q180 WeakPolarHBondContact CA-O 3.49Å
177V88Confident82.4Confident76 Ų7682.9 Ų82.946%0.46149%0.487SS..EExtended strand (participates in β ladder)trans-130.2123.1170.7177.50000108.2I174 G179 Q180 V182I174-V177 HydrophobicContact CG2-CG2 3.83Å; V177-G179 PolarHBondContact O-N 3.38Å; V177-Q180 PolarHBondContact N-O 3.08Å; V177-Q180 PolarHBondContact O-N 3.26Å; V177-V182 HydrophobicContact CB-CG1 4.21Å; V177-V182 HydrophobicContact CG2-CG1 3.62Å
178N84.9Confident82.3Confident162 Ų16283.6 Ų83.687%0.86649%0.493SS*.THydrogen-bonded Turntrans52.636.7-178.2-59-38.4000113.6Q180N178-Q180 VanDerWaalsContact C-N 3.26Å; N178-Q180 PolarHBondContact O-N 2.98Å
179G82Confident82Confident51 Ų5187.2 Ų87.253%0.52652%0.515SS..THydrogen-bonded Turntrans7118.5-178.400000114.2V177V177-G179 PolarHBondContact O-N 3.38Å
180Q84.7Confident81.5Confident137 Ų13787.1 Ų87.164%0.6452%0.521SS*.EExtended strand (participates in β ladder)trans-112.2130169.3-65.4-64-74.100109.3E176 V177 N178 V182E176-Q180 CarbonylContact C-O 3.54Å; E176-Q180 VanDerWaalsContact CA-O 3.25Å; E176-Q180 WeakPolarHBondContact CA-O 3.49Å; V177-Q180 PolarHBondContact N-O 3.08Å; V177-Q180 PolarHBondContact O-N 3.26Å; N178-Q180 VanDerWaalsContact C-N 3.26Å; N178-Q180 PolarHBondContact O-N 2.98Å; Q180-V182 PolarHBondContact O-N 3.26Å
181P85.6Confident80.9Confident96 Ų9687.1 Ų87.162%0.62352%0.521SS*.EExtended strand (participates in β ladder)trans-62.9135.8176.127.3-33.6000109.5
182V82.5Confident80.4Confident43 Ų4390.3 Ų90.326%0.26153%0.528SS..  trans-81.3127.5172.9-63.30000108.7L151 I174 K175 V177 Q180L151-V182 HydrophobicContact CB-CG2 3.97Å; L151-V182 HydrophobicContact CD2-CB 4.02Å; L151-V182 HydrophobicContact CD2-CG1 4.33Å; L151-V182 HydrophobicContact CD2-CG2 4.01Å; I174-V182 HydrophobicContact CB-CG2 4.14Å; I174-V182 HydrophobicContact CG2-CG1 3.96Å; I174-V182 HydrophobicContact CG2-CG2 3.88Å; I174-V182 WeakPolarHBondContact O-CG2 3.43Å; K175-V182 PolarHBondContact O-N 3.22Å; K175-V182 VanDerWaalsContact O-N 3.12Å; V177-V182 HydrophobicContact CB-CG1 4.21Å; V177-V182 HydrophobicContact CG2-CG1 3.62Å; Q180-V182 PolarHBondContact O-N 3.26Å
183G67.8Low79.6Confident51 Ų5193.8 Ų93.853%0.52655%0.551SS.*  trans-78.2-179.2176.500000112D185G183-D185 PolarHBondContact O-N 3.05Å
184S63.5Low78.8Confident80 Ų8094.2 Ų94.256%0.55956%0.558SS**SBendtrans-74.215.4175.4-39.10000114V146V146-S184 WeakPolarHBondContact CG2-O 3.27Å
185D57.6Low77.7Confident144 Ų14499.9 Ų99.977%0.7759%0.594SS**  trans-118.6123.8-177.3-121.3-28.7000109.3G183G183-D185 PolarHBondContact O-N 3.05Å
186P54.8Low76.5Confident135 Ų135100 Ų10088%0.87761%0.608SS**  trans-74.80-173.130.5-35.9000115.4L151L151-P186 HydrophobicContact CD1-CB 4.42Å

Retrieved 186 of 186 residues in 201.3 ms (Link to these results)

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