A0A087XYD9_POEFO Loading...

Mediator of RNA polymerase II transcription subunit 4

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A087XYD9, Species POEFO (Poecilia formosa, Amazon molly), Gene MED4, Length 253 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
1M35Very low67.6Low246 Ų246123.5 Ų123.5100%1.21270%0.695SS**  0125.80-62.1172.7-166.700106.4A3M1-A3 PolarHBondContact O-N 2.73Å
2A37.3Very low69.8Low100 Ų100121.8 Ų121.883%0.82667%0.669SS**PPolyproline II helixtrans-70.6121.7170.600000107.3L4A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.15Å
3A41.1Very low71.8Confident96 Ų96114.2 Ų114.279%0.79363%0.627SS**PPolyproline II helixtrans-62118165.600000106.7M1 A5M1-A3 PolarHBondContact O-N 2.73Å; A3-A5 PolarHBondContact O-N 3.34Å; A3-A5 VanDerWaalsContact O-N 3.1Å
4L47.3Very low73.5Confident164 Ų164112.2 Ų112.286%0.85962%0.615SS**PPolyproline II helixtrans-55.5118162.8-72.9163.2000105.4A2 E6A2-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact O-N 3.15Å; L4-E6 PolarHBondContact O-N 2.9Å
5A54.4Low74.9Confident97 Ų97107.7 Ų107.780%0.80259%0.594SS**  trans-60.2107.5-17800000108A3 K7A3-A5 PolarHBondContact O-N 3.34Å; A3-A5 VanDerWaalsContact O-N 3.1Å; A5-K7 PolarHBondContact O-N 3.2Å; A5-K7 VanDerWaalsContact O-N 3.16Å
6E73.1Confident76.2Confident179 Ų179101.2 Ų101.284%0.83656%0.558SS**PPolyproline II helixtrans-60.6121.7175.7-72.2-167.5127.400107.7L4 S8L4-E6 PolarHBondContact O-N 2.9Å; E6-S8 PolarHBondContact O-N 2.85Å
7K83.1Confident77.4Confident134 Ų134100.4 Ų100.458%0.58355%0.552SS**PPolyproline II helixtrans-52134.8177.3-66.6-177.9179.8-178.20109A5 E11 R12A5-K7 PolarHBondContact O-N 3.2Å; A5-K7 VanDerWaalsContact O-N 3.16Å; K7-E11 WeakPolarHBondContact CA-OE2 3.23Å; K7-E11 HydrophobicContact CB-CB 4.24Å; K7-R12 HydrophobicContact CB-CG 3.85Å; K7-R12 WeakPolarHBondContact O-CD 3.42Å
8S91.9Very high78.5Confident62 Ų6299.8 Ų99.843%0.43455%0.549SS..PPolyproline II helixtrans-54.1148.2-179.91760000110.6E6 K10 E11 R12E6-S8 PolarHBondContact O-N 2.85Å; S8-K10 PolarHBondContact O-N 2.78Å; S8-K10 PolarHBondContact OG-N 2.98Å; S8-E11 PolarHBondContact N-OE2 3.39Å; S8-E11 WeakPolarHBondContact O-CA 3.41Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.17Å; S8-R12 PolarHBondContact O-N 3.47Å
9T92.3Very high79.4Confident24 Ų2497.3 Ų97.315%0.14753%0.534CS..Hα-helixtrans-49-36.7174.1-34.90000111.6L13 V65 A66 Q69T9-L13 HydrophobicContact CG2-CD1 4.46Å; T9-L13 WeakPolarHBondContact O-CB 3.38Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.15Å; T9-V65 HydrophobicContact CG2-CG1 4.14Å; T9-A66 HydrophobicContact CG2-CB 4.09Å; T9-Q69 VanDerWaalsContact OG1-CD 3.26Å; T9-Q69 PolarHBondContact OG1-NE2 3.04Å; T9-Q69 PolarHBondContact OG1-OE1 2.99Å
10K93.4Very high80.2Confident148 Ų14893.7 Ų93.764%0.64351%0.514SS*.Hα-helixtrans-62.2-47.8174.2-179.2-174.6175.2-173.70112.7S8 R12 L13 L14S8-K10 PolarHBondContact O-N 2.78Å; S8-K10 PolarHBondContact OG-N 2.98Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-L13 PolarHBondContact O-N 3.06Å; K10-L14 HydrophobicContact CG-CD1 4.12Å; K10-L14 VanDerWaalsContact O-CG 3.31Å; K10-L14 WeakPolarHBondContact O-CG 3.3Å; K10-L14 PolarHBondContact O-N 3.37Å
11E94.4Very high81Confident108 Ų10893.7 Ų93.751%0.50551%0.511SS..Hα-helixtrans-68.3-35.2-179.8-64.8169.5159.400111.5K7 S8 S15K7-E11 WeakPolarHBondContact CA-OE2 3.23Å; K7-E11 HydrophobicContact CB-CB 4.24Å; S8-E11 PolarHBondContact N-OE2 3.39Å; S8-E11 WeakPolarHBondContact O-CA 3.41Å; S8-E11 WeakPolarHBondContact O-CB 3.41Å; S8-E11 PolarHBondContact O-N 3.17Å; E11-S15 WeakPolarHBondContact O-CB 3.04Å; E11-S15 PolarHBondContact O-N 3.46Å
12R94.4Very high83.9Confident104 Ų10485.6 Ų85.639%0.39248%0.475SS..Hα-helixtrans-65.9-47.4173.4-65.8-179.264.2179.3-2.5111.5K7 S8 K10 L14 S15 V16 L62K7-R12 HydrophobicContact CB-CG 3.85Å; K7-R12 WeakPolarHBondContact O-CD 3.42Å; S8-R12 PolarHBondContact O-N 3.47Å; K10-R12 VanDerWaalsContact C-N 3.33Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-L14 PolarHBondContact O-N 3.05Å; R12-S15 PolarHBondContact O-N 3.28Å; R12-V16 WeakPolarHBondContact O-CG2 3.48Å; R12-V16 PolarHBondContact O-N 2.95Å; R12-L62 HydrophobicContact CB-CD1 3.99Å; R12-L62 HydrophobicContact CB-CD2 4.26Å
13L95Very high86.5Confident22 Ų2281.9 Ų81.912%0.11544%0.441CS..Hα-helixtrans-59-43.4175.8-81.7168.4000112.6T9 K10 V16 L17 F59 L62 M63 A66T9-L13 HydrophobicContact CG2-CD1 4.46Å; T9-L13 WeakPolarHBondContact O-CB 3.38Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.15Å; K10-L13 PolarHBondContact O-N 3.06Å; L13-V16 PolarHBondContact O-N 3.44Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 PolarHBondContact O-N 3Å; L13-F59 HydrophobicContact CD2-CD2 3.84Å; L13-F59 HydrophobicContact CD2-CE2 3.72Å; L13-F59 HydrophobicContact CD2-CZ 4.34Å; L13-L62 HydrophobicContact CD2-CB 3.53Å; L13-L62 HydrophobicContact CG-CB 3.98Å; L13-M63 HydrophobicContact CD1-SD 3.7Å; L13-M63 HydrophobicContact CD2-CG 3.73Å; L13-M63 HydrophobicContact CD2-SD 3.66Å; L13-M63 HydrophobicContact CG-SD 4.34Å; L13-A66 HydrophobicContact CD1-CB 3.79Å
14L95.8Very high89.1Confident87 Ų8779.3 Ų79.346%0.45542%0.417SS..Hα-helixtrans-64.1-46.5176.2-69.7165.3000111.2K10 R12 V16 L17 D18K10-L14 HydrophobicContact CG-CD1 4.12Å; K10-L14 VanDerWaalsContact O-CG 3.31Å; K10-L14 WeakPolarHBondContact O-CG 3.3Å; K10-L14 PolarHBondContact O-N 3.37Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-L14 PolarHBondContact O-N 3.05Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.34Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L14-D18 VanDerWaalsContact O-CG 3.23Å; L14-D18 PolarHBondContact O-N 3.02Å
15S95.5Very high91.3Very high44 Ų4478.3 Ų78.331%0.30840%0.402SS..Hα-helixtrans-59.8-39.6178.1-170.30000113.2E11 R12 D19E11-S15 WeakPolarHBondContact O-CB 3.04Å; E11-S15 PolarHBondContact O-N 3.46Å; R12-S15 PolarHBondContact O-N 3.28Å; S15-D19 WeakPolarHBondContact O-CB 3.42Å; S15-D19 PolarHBondContact O-N 2.91Å
16V95.8Very high93Very high4 Ų477.9 Ų77.92%0.02438%0.383CS..Hα-helixtrans-73.9-32.6177.6179.60000111.2R12 L13 L14 D19 L20 R55 E58 F59 L62R12-V16 WeakPolarHBondContact O-CG2 3.48Å; R12-V16 PolarHBondContact O-N 2.95Å; L13-V16 PolarHBondContact O-N 3.44Å; L14-V16 VanDerWaalsContact C-N 3.33Å; L14-V16 PolarHBondContact O-N 3.34Å; V16-D19 PolarHBondContact O-N 3.38Å; V16-L20 HydrophobicContact CG1-CD1 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.12Å; V16-R55 HydrophobicContact CG1-CB 4.29Å; V16-R55 WeakPolarHBondContact CG1-O 3.29Å; V16-E58 HydrophobicContact CG1-CB 4.46Å; V16-E58 HydrophobicContact CG2-CG 4.12Å; V16-F59 HydrophobicContact CB-CD2 4.46Å; V16-F59 HydrophobicContact CG1-CB 3.8Å; V16-F59 HydrophobicContact CG1-CD2 4.31Å; V16-L62 HydrophobicContact CG2-CD1 3.94Å
17L96.5Very high93.8Very high87 Ų8770.8 Ų70.846%0.45535%0.351SS..Hα-helixtrans-66.2-42.4173.4-172.967.7000111.8L13 L14 L20 E21 F59L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 PolarHBondContact O-N 3Å; L14-L17 WeakPolarHBondContact O-CB 3.45Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-L17 VanDerWaalsContact O-N 3.14Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-E21 PolarHBondContact O-N 3.06Å; L17-F59 HydrophobicContact CB-CE2 4.22Å; L17-F59 HydrophobicContact CD1-CE2 4.26Å; L17-F59 HydrophobicContact CD1-CZ 4.46Å
18D96.7Very high94.1Very high91 Ų9170 Ų7049%0.48735%0.352SS..Hα-helixtrans-62.6-44.5174.5-63.3-22000110.6L14 L20 E21 V22L14-D18 VanDerWaalsContact O-CG 3.23Å; L14-D18 PolarHBondContact O-N 3.02Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.21Å; D18-E21 WeakPolarHBondContact O-CB 3.36Å; D18-E21 PolarHBondContact O-N 3.24Å; D18-V22 WeakPolarHBondContact O-CG2 3.37Å; D18-V22 PolarHBondContact O-N 2.84Å
19D95.7Very high93.9Very high51 Ų5172.8 Ų72.827%0.27336%0.358SS..Hα-helixtrans-60-40.7175-72.5-29000111.8S15 V16 V22 L23 R55S15-D19 WeakPolarHBondContact O-CB 3.42Å; S15-D19 PolarHBondContact O-N 2.91Å; V16-D19 PolarHBondContact O-N 3.38Å; D19-V22 PolarHBondContact O-N 2.74Å; D19-L23 WeakPolarHBondContact O-CB 3.24Å; D19-L23 VanDerWaalsContact O-CG 3.29Å; D19-L23 WeakPolarHBondContact O-CG 3.43Å; D19-L23 PolarHBondContact O-N 3.4Å; D19-R55 IonicContact OD2-CZ 3.91Å; D19-R55 IonicContact OD2-NH1 2.84Å; D19-R55 PolarHBondContact OD2-NH1 3.01Å; D19-R55 IonicContact OD2-NH2 3.7Å; D19-R55 PolarHBondContact OD2-NH2 2.84Å
20L95.1Very high93.5Very high25 Ų2573.5 Ų73.513%0.13136%0.36CS..Hα-helixtrans-65.7-37.5174.5-77.4170000112.5V16 L17 D18 S24 L52 R55 D56 F59V16-L20 HydrophobicContact CG1-CD1 4.36Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.12Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 3.07Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 3.21Å; L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 2.95Å; L20-S24 PolarHBondContact O-OG 3.21Å; L20-L52 HydrophobicContact CD2-CD1 3.73Å; L20-L52 HydrophobicContact CD2-CG 4.3Å; L20-R55 HydrophobicContact CD2-CB 3.73Å; L20-R55 HydrophobicContact CG-CB 4.05Å; L20-D56 HydrophobicContact CD2-CB 4.38Å; L20-F59 HydrophobicContact CD1-CB 4.06Å; L20-F59 HydrophobicContact CD1-CG 4.24Å
21E96.4Very high93Very high95 Ų9570.9 Ų70.944%0.44435%0.353SS..Hα-helixtrans-64.1-45.2174.8-163.9-168.8148.300111.2L17 D18 S24 R25L17-E21 PolarHBondContact O-N 3.06Å; D18-E21 WeakPolarHBondContact O-CB 3.36Å; D18-E21 PolarHBondContact O-N 3.24Å; E21-S24 PolarHBondContact O-OG 3.29Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; E21-R25 WeakPolarHBondContact O-CB 3.43Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE1-CZ 3.8Å; E21-R25 IonicContact OE1-NE 2.67Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.14Å; E21-R25 PolarHBondContact OE1-NH2 3.42Å
22V96.2Very high92.6Very high76 Ų7668.6 Ų68.646%0.46135%0.352SS..Hα-helixtrans-62.7-52.6178.3173.90000111D18 D19 S24 R25 E26D18-V22 WeakPolarHBondContact O-CG2 3.37Å; D18-V22 PolarHBondContact O-N 2.84Å; D19-V22 PolarHBondContact O-N 2.74Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.92Å; V22-R25 WeakPolarHBondContact O-CB 3.41Å; V22-R25 PolarHBondContact O-N 3.03Å; V22-E26 HydrophobicContact CG1-CG 4.45Å; V22-E26 WeakPolarHBondContact O-CG 3.26Å; V22-E26 PolarHBondContact O-N 3.18Å
23L93.3Very high91.9Very high22 Ų2268.9 Ų68.912%0.11536%0.361CS..Hα-helixtrans-61-36.8-178.9-70.9169000112.6D19 L27 I48 L51 L52 R55D19-L23 WeakPolarHBondContact O-CB 3.24Å; D19-L23 VanDerWaalsContact O-CG 3.29Å; D19-L23 WeakPolarHBondContact O-CG 3.43Å; D19-L23 PolarHBondContact O-N 3.4Å; L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 3Å; L23-I48 HydrophobicContact CD2-CG2 4.19Å; L23-L51 HydrophobicContact CD1-CB 4.12Å; L23-L51 HydrophobicContact CD2-CB 4.16Å; L23-L51 HydrophobicContact CD2-CD1 4.41Å; L23-L52 HydrophobicContact CB-CD1 3.69Å; L23-R55 HydrophobicContact CD1-CG 4.03Å
24S94.1Very high90.4Very high42 Ų4270 Ų7029%0.29437%0.371SS..Hα-helixtrans-72.9-35.2177.558.80000112.9L20 E21 V22 I28L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 2.95Å; L20-S24 PolarHBondContact O-OG 3.21Å; E21-S24 PolarHBondContact O-OG 3.29Å; E21-S24 VanDerWaalsContact O-OG 3.04Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.92Å; S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 VanDerWaalsContact O-CG1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 2.96Å; S24-I28 VanDerWaalsContact O-N 3.12Å
25R94.3Very high88.8Confident143 Ų14376.9 Ų76.954%0.5439%0.391SS..Hα-helixtrans-62.4-50.5170.3-73.9167.3175.3-90.34.8111.4E21 V22 L27 I28 E29E21-R25 WeakPolarHBondContact O-CB 3.43Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.27Å; E21-R25 IonicContact OE1-CZ 3.8Å; E21-R25 IonicContact OE1-NE 2.67Å; E21-R25 PolarHBondContact OE1-NE 3.41Å; E21-R25 IonicContact OE1-NH2 3.14Å; E21-R25 PolarHBondContact OE1-NH2 3.42Å; V22-R25 WeakPolarHBondContact O-CB 3.41Å; V22-R25 PolarHBondContact O-N 3.03Å; R25-L27 VanDerWaalsContact C-N 3.35Å; R25-L27 PolarHBondContact O-N 3.42Å; R25-I28 PolarHBondContact O-N 3.38Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.84Å
26E90.3Very high87.4Confident88 Ų8879 Ų7941%0.41141%0.405SS..Hα-helixtrans-57.6-45.9178.6-71.9179167.100111.6V22 I28 E29 M30 I48V22-E26 HydrophobicContact CG1-CG 4.45Å; V22-E26 WeakPolarHBondContact O-CG 3.26Å; V22-E26 PolarHBondContact O-N 3.18Å; E26-I28 PolarHBondContact O-N 2.89Å; E26-E29 PolarHBondContact O-N 3.12Å; E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.06Å; E26-I48 HydrophobicContact CB-CD1 4.11Å
27L89Confident85.6Confident30 Ų3086.8 Ų86.816%0.15744%0.442CS..Hα-helixtrans-59.9-43.1176.6-176.162.6000112.5L23 R25 M30 L31 I48 L49 L52L23-L27 WeakPolarHBondContact O-CB 3.38Å; L23-L27 PolarHBondContact O-N 3Å; R25-L27 VanDerWaalsContact C-N 3.35Å; R25-L27 PolarHBondContact O-N 3.42Å; L27-M30 HydrophobicContact CD1-CE 4.36Å; L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.5Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.28Å; L27-L31 PolarHBondContact O-N 3.24Å; L27-I48 HydrophobicContact CB-CG2 4.08Å; L27-L49 HydrophobicContact CD2-CD1 4.48Å; L27-L52 HydrophobicContact CD2-CD2 4.34Å
28I90Very high83.6Confident116 Ų11691.7 Ų91.760%0.59546%0.459SS*.Hα-helixtrans-65.3-40.9177.4-69.8165.7000111.1S24 R25 E26 L31 A32S24-I28 WeakPolarHBondContact O-CD1 3.36Å; S24-I28 VanDerWaalsContact O-CG1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 2.96Å; S24-I28 VanDerWaalsContact O-N 3.12Å; R25-I28 PolarHBondContact O-N 3.38Å; E26-I28 PolarHBondContact O-N 2.89Å; I28-L31 PolarHBondContact O-N 3.47Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.11Å
29E88.5Confident81.5Confident122 Ų12295.2 Ų95.257%0.5748%0.477SS*.Hα-helixtrans-65.3-43.6178-73-176.9-169.200111.9R25 E26 L31 A32 L33R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 2.84Å; E26-E29 PolarHBondContact O-N 3.12Å; E29-L31 PolarHBondContact O-N 3.03Å; E29-A32 PolarHBondContact O-N 3.39Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 VanDerWaalsContact O-CG 3.26Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.89Å
30M83.7Confident79.6Confident39 Ų3995.2 Ų95.219%0.19248%0.48CS..Hα-helixtrans-61.8-42.7174.2-66.1-164.5-4400112.5E26 L27 A32 L33 S34 D45 I48E26-M30 WeakPolarHBondContact O-CG 3.39Å; E26-M30 PolarHBondContact O-N 3.06Å; L27-M30 HydrophobicContact CD1-CE 4.36Å; M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.47Å; M30-L33 PolarHBondContact O-N 2.86Å; M30-S34 VanDerWaalsContact O-CB 3.3Å; M30-S34 WeakPolarHBondContact O-CB 3.5Å; M30-S34 PolarHBondContact O-N 3.31Å; M30-S34 PolarHBondContact O-OG 2.93Å; M30-D45 HydrophobicContact CE-CB 4.36Å; M30-D45 WeakPolarHBondContact CE-OD1 3.48Å; M30-I48 HydrophobicContact CE-CB 4.27Å; M30-I48 HydrophobicContact CE-CD1 3.58Å; M30-I48 HydrophobicContact CE-CG1 4.06Å; M30-I48 HydrophobicContact SD-CD1 3.88Å
31L82.9Confident77.9Confident92 Ų92100.3 Ų100.348%0.48250%0.503SS..Hα-helixtrans-67.3-26.8176.6-70.3172.8000113.1L27 I28 E29 S34L27-L31 HydrophobicContact CD1-CD1 4.29Å; L27-L31 HydrophobicContact CD1-CG 4.5Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.28Å; L27-L31 PolarHBondContact O-N 3.24Å; I28-L31 PolarHBondContact O-N 3.47Å; E29-L31 PolarHBondContact O-N 3.03Å; L31-S34 WeakPolarHBondContact CA-OG 3.44Å; L31-S34 PolarHBondContact O-OG 3.27Å
32A84.8Confident76.3Confident60 Ų60102.3 Ų102.350%0.49652%0.524SS..Hα-helixtrans-77.9-44.2172.900000112.1I28 E29 M30 R35I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.11Å; E29-A32 PolarHBondContact O-N 3.39Å; M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.47Å; A32-R35 PolarHBondContact O-N 2.89Å
33L79.6Confident75.2Confident110 Ų110100.4 Ų100.458%0.57652%0.52SS*.Hα-helixtrans-65.4-46.1-179.1-72.5168.1000112E29 M30 R35 S36 Q37E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 VanDerWaalsContact O-CG 3.26Å; E29-L33 WeakPolarHBondContact O-CG 3.44Å; E29-L33 PolarHBondContact O-N 2.89Å; M30-L33 PolarHBondContact O-N 2.86Å; L33-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact O-N 3.15Å; L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-OG 3.16Å; L33-Q37 PolarHBondContact O-N 3.42Å; L33-Q37 VanDerWaalsContact O-N 3.17Å
34S65.4Low74.5Confident46 Ų46103.1 Ų103.132%0.32253%0.532SS..THydrogen-bonded Turntrans-58.3-24.5177.5540000114.4M30 L31 S36M30-S34 VanDerWaalsContact O-CB 3.3Å; M30-S34 WeakPolarHBondContact O-CB 3.5Å; M30-S34 PolarHBondContact O-N 3.31Å; M30-S34 PolarHBondContact O-OG 2.93Å; L31-S34 WeakPolarHBondContact CA-OG 3.44Å; L31-S34 PolarHBondContact O-OG 3.27Å; S34-S36 VanDerWaalsContact C-N 3.34Å
35R62Low73.8Confident232 Ų232103.6 Ų103.688%0.87553%0.531SS*.THydrogen-bonded Turntrans-76.2-19172.5-173.3179.9-73.7-156.5-1.6113.3A32 L33A32-R35 PolarHBondContact O-N 2.89Å; L33-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact O-N 3.15Å
36S64.7Low73.4Confident87 Ų87100.6 Ų100.661%0.60853%0.529SS*.THydrogen-bonded Turntrans-111.1-44-166.268.10000114.8L33 S34L33-S36 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-OG 3.16Å; S34-S36 VanDerWaalsContact C-N 3.34Å
37Q58.5Low73.3Confident169 Ų169102.4 Ų102.479%0.7954%0.537SS*.SBendtrans-162.8132.4175.7-116178.84.600112.5L33L33-Q37 PolarHBondContact O-N 3.42Å; L33-Q37 VanDerWaalsContact O-N 3.17Å
38K54.2Low73.3Confident189 Ų189102.1 Ų102.182%0.82254%0.536SS*.SBendtrans72142.6-178.8-56.8179.5178.8176.10115.7
39L53Low73.3Confident166 Ų166100.8 Ų100.887%0.86953%0.53SS*.PPolyproline II helixtrans-62.6131.5163.2-110.665000108.7
40P56.3Low73.5Confident50 Ų50101.7 Ų101.733%0.32553%0.534SS..PPolyproline II helixtrans-56.3162.8162.4-24.235.5000111.5
41Q59.8Low74Confident132 Ų132103.8 Ų103.862%0.61755%0.545SS*.PPolyproline II helixtrans-64.7135.3166-67.3-153.893.600109.3G43 E44Q41-G43 PolarHBondContact O-N 3.36Å; Q41-E44 HydrophobicContact CB-CG 4.16Å; Q41-E44 PolarHBondContact NE2-OE1 2.97Å
42P62.6Low74.5Confident138 Ų138101.1 Ų101.190%0.89653%0.531SS*.THydrogen-bonded Turntrans-68.599.3-17927.9-34.2000110.4
43G71.5Confident75.1Confident36 Ų36102.6 Ų102.637%0.37153%0.534SS..THydrogen-bonded Turntrans139.1-21.7173.200000115.8Q41 T46 Q47Q41-G43 PolarHBondContact O-N 3.36Å; G43-T46 WeakPolarHBondContact CA-OG1 3.49Å; G43-T46 PolarHBondContact O-N 3.37Å; G43-T46 PolarHBondContact O-OG1 2.88Å; G43-Q47 PolarHBondContact O-N 3.37Å
44E78.9Confident75.9Confident78 Ų78102.9 Ų102.936%0.36453%0.533SS..Hα-helixtrans-64.9-45.7-176.4-70.1172.417400111.5Q41 T46 Q47 I48Q41-E44 HydrophobicContact CB-CG 4.16Å; Q41-E44 PolarHBondContact NE2-OE1 2.97Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.46Å; E44-Q47 PolarHBondContact O-N 2.94Å; E44-I48 PolarHBondContact O-N 3.18Å
45D79Confident77.3Confident52 Ų52104 Ų10428%0.27853%0.53SS..Hα-helixtrans-52.8-44.4174.9-56.4-0.1000112.8M30 L49M30-D45 HydrophobicContact CE-CB 4.36Å; M30-D45 WeakPolarHBondContact CE-OD1 3.48Å; D45-L49 WeakPolarHBondContact O-CB 3.5Å; D45-L49 PolarHBondContact O-N 2.76Å; D45-L49 VanDerWaalsContact O-N 3.12Å
46T86.1Confident79Confident81 Ų8196.4 Ų96.450%0.49751%0.506SS..Hα-helixtrans-69.5-34.8177.429.80000112.5G43 E44 L49 E50G43-T46 WeakPolarHBondContact CA-OG1 3.49Å; G43-T46 PolarHBondContact O-N 3.37Å; G43-T46 PolarHBondContact O-OG1 2.88Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.46Å; T46-L49 PolarHBondContact O-N 3.03Å; T46-E50 WeakPolarHBondContact O-CG 3.44Å; T46-E50 PolarHBondContact O-N 3.18Å
47Q88.6Confident80.5Confident125 Ų12597.6 Ų97.658%0.58450%0.501SS*.Hα-helixtrans-71.1-39.8179.8-169.2169.722.200112.1G43 E44 L49 E50 L51G43-Q47 PolarHBondContact O-N 3.37Å; E44-Q47 PolarHBondContact O-N 2.94Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-E50 PolarHBondContact O-N 3.04Å; Q47-L51 WeakPolarHBondContact O-CG 3.26Å; Q47-L51 PolarHBondContact O-N 3.31Å
48I88.8Confident82.3Confident25 Ų2592.3 Ų92.313%0.12848%0.476CS..Hα-helixtrans-66.3-38.7172.7-61.7-164.2000110.7L23 E26 L27 M30 E44 L51 L52L23-I48 HydrophobicContact CD2-CG2 4.19Å; E26-I48 HydrophobicContact CB-CD1 4.11Å; L27-I48 HydrophobicContact CB-CG2 4.08Å; M30-I48 HydrophobicContact CE-CB 4.27Å; M30-I48 HydrophobicContact CE-CD1 3.58Å; M30-I48 HydrophobicContact CE-CG1 4.06Å; M30-I48 HydrophobicContact SD-CD1 3.88Å; E44-I48 PolarHBondContact O-N 3.18Å; I48-L51 PolarHBondContact O-N 2.95Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.96Å
49L90Very high84.2Confident88 Ų8885.6 Ų85.646%0.46145%0.447SS..Hα-helixtrans-63.8-42.4175.6-174.764.2000112.6L27 D45 T46 Q47 L52 V53L27-L49 HydrophobicContact CD2-CD1 4.48Å; D45-L49 WeakPolarHBondContact O-CB 3.5Å; D45-L49 PolarHBondContact O-N 2.76Å; D45-L49 VanDerWaalsContact O-N 3.12Å; T46-L49 PolarHBondContact O-N 3.03Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; L49-L52 PolarHBondContact O-N 3.03Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.42Å
50E93.2Very high86.3Confident141 Ų14183 Ų8366%0.65943%0.43SS*.Hα-helixtrans-62.5-43174.5-77.6178.5-176.700112T46 Q47 V53 Q54T46-E50 WeakPolarHBondContact O-CG 3.44Å; T46-E50 PolarHBondContact O-N 3.18Å; Q47-E50 PolarHBondContact O-N 3.04Å; E50-V53 PolarHBondContact O-N 3.22Å; E50-Q54 WeakPolarHBondContact O-CB 3.5Å; E50-Q54 PolarHBondContact O-N 3.01Å
51L94Very high88.2Confident82 Ų8285.9 Ų85.943%0.42944%0.439SS..Hα-helixtrans-61.8-42.8174.4-74.6168.7000111.9L23 Q47 I48 Q54 R55L23-L51 HydrophobicContact CD1-CB 4.12Å; L23-L51 HydrophobicContact CD2-CB 4.16Å; L23-L51 HydrophobicContact CD2-CD1 4.41Å; Q47-L51 WeakPolarHBondContact O-CG 3.26Å; Q47-L51 PolarHBondContact O-N 3.31Å; I48-L51 PolarHBondContact O-N 2.95Å; L51-Q54 PolarHBondContact O-N 3.47Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.43Å
52L94.5Very high89.9Confident37 Ų3780.1 Ų80.119%0.19441%0.413CS..Hα-helixtrans-61.6-46.3177.9-168.377.8000111.5L20 L23 L27 I48 L49 Q54 R55 D56L20-L52 HydrophobicContact CD2-CD1 3.73Å; L20-L52 HydrophobicContact CD2-CG 4.3Å; L23-L52 HydrophobicContact CB-CD1 3.69Å; L27-L52 HydrophobicContact CD2-CD2 4.34Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.03Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 2.94Å; L52-R55 PolarHBondContact O-N 3.02Å; L52-D56 WeakPolarHBondContact O-CB 3.45Å; L52-D56 PolarHBondContact O-N 2.67Å
53V95.8Very high91.5Very high91 Ų9177.5 Ų77.555%0.55239%0.389SS*.Hα-helixtrans-62.3-40.5175.6170.80000111.5L49 E50 K57L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 3.42Å; E50-V53 PolarHBondContact O-N 3.22Å; V53-K57 WeakPolarHBondContact O-CB 3.5Å; V53-K57 PolarHBondContact O-N 2.95Å
54Q96.4Very high92.7Very high116 Ų11681.4 Ų81.454%0.54240%0.398SS..Hα-helixtrans-66.5-36.7178.1-178.455.943.400112.3E50 L51 L52 E58E50-Q54 WeakPolarHBondContact O-CB 3.5Å; E50-Q54 PolarHBondContact O-N 3.01Å; L51-Q54 PolarHBondContact O-N 3.47Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 2.94Å; Q54-E58 PolarHBondContact O-N 3.31Å; Q54-E58 VanDerWaalsContact O-N 3.11Å
55R96.1Very high93.5Very high70 Ų7080.6 Ų80.626%0.26440%0.398SS..Hα-helixtrans-76.8-35176.1-66.5-44.5-162.6111.229.8113.6V16 D19 L20 L23 L51 L52 K57 E58 F59V16-R55 HydrophobicContact CG1-CB 4.29Å; V16-R55 WeakPolarHBondContact CG1-O 3.29Å; D19-R55 IonicContact OD2-CZ 3.91Å; D19-R55 IonicContact OD2-NH1 2.84Å; D19-R55 PolarHBondContact OD2-NH1 3.01Å; D19-R55 IonicContact OD2-NH2 3.7Å; D19-R55 PolarHBondContact OD2-NH2 2.84Å; L20-R55 HydrophobicContact CD2-CB 3.73Å; L20-R55 HydrophobicContact CG-CB 4.05Å; L23-R55 HydrophobicContact CD1-CG 4.03Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.43Å; L52-R55 PolarHBondContact O-N 3.02Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.04Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 3.66Å; R55-E58 IonicContact NE-OE2 2.84Å; R55-E58 IonicContact NH1-OE2 2.72Å; R55-E58 PolarHBondContact NH1-OE2 3.11Å; R55-E58 PolarHBondContact O-N 3.43Å; R55-F59 WeakPolarHBondContact O-CB 3.46Å; R55-F59 PolarHBondContact O-N 3.45Å
56D96.3Very high94.3Very high71 Ų7179.4 Ų79.438%0.3840%0.395SS..Hα-helixtrans-61.2-42.1171.8172.953000110.6L20 L52 F59 Q60L20-D56 HydrophobicContact CD2-CB 4.38Å; L52-D56 WeakPolarHBondContact O-CB 3.45Å; L52-D56 PolarHBondContact O-N 2.67Å; D56-F59 WeakPolarHBondContact O-CB 3.37Å; D56-F59 PolarHBondContact O-N 3.07Å; D56-Q60 WeakPolarHBondContact O-CG 3.34Å; D56-Q60 PolarHBondContact O-N 3.16Å; D56-Q60 PolarHBondContact OD1-NE2 2.95Å; D56-Q60 PolarHBondContact OD2-NE2 2.92Å
57K96.8Very high94.8Very high113 Ų11381.3 Ų81.349%0.49140%0.399SS..Hα-helixtrans-61.6-46.7173-173.2179.7172.4-171.90112.7V53 R55 F59 Q60 E61V53-K57 WeakPolarHBondContact O-CB 3.5Å; V53-K57 PolarHBondContact O-N 2.95Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.04Å; K57-F59 VanDerWaalsContact C-N 3.28Å; K57-F59 PolarHBondContact O-N 3.08Å; K57-Q60 PolarHBondContact O-N 3.16Å; K57-E61 WeakPolarHBondContact CE-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.43Å
58E95.6Very high95.2Very high57 Ų5779.9 Ų79.927%0.26639%0.392SS..Hα-helixtrans-59-40.2175.4-174.5-179.3-16700111.6V16 Q54 R55 L62V16-E58 HydrophobicContact CG1-CB 4.46Å; V16-E58 HydrophobicContact CG2-CG 4.12Å; Q54-E58 PolarHBondContact O-N 3.31Å; Q54-E58 VanDerWaalsContact O-N 3.11Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 3.66Å; R55-E58 IonicContact NE-OE2 2.84Å; R55-E58 IonicContact NH1-OE2 2.72Å; R55-E58 PolarHBondContact NH1-OE2 3.11Å; R55-E58 PolarHBondContact O-N 3.43Å; E58-L62 HydrophobicContact CG-CD1 4.18Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.39Å; E58-L62 PolarHBondContact O-N 3.49Å
59F95.8Very high95.5Very high49 Ų4983.1 Ų83.122%0.21541%0.407CS..Hα-helixtrans-64.3-44.6176.9-175-97.9000112.3L13 V16 L17 L20 R55 D56 K57 L62 M63L13-F59 HydrophobicContact CD2-CD2 3.84Å; L13-F59 HydrophobicContact CD2-CE2 3.72Å; L13-F59 HydrophobicContact CD2-CZ 4.34Å; V16-F59 HydrophobicContact CB-CD2 4.46Å; V16-F59 HydrophobicContact CG1-CB 3.8Å; V16-F59 HydrophobicContact CG1-CD2 4.31Å; L17-F59 HydrophobicContact CB-CE2 4.22Å; L17-F59 HydrophobicContact CD1-CE2 4.26Å; L17-F59 HydrophobicContact CD1-CZ 4.46Å; L20-F59 HydrophobicContact CD1-CB 4.06Å; L20-F59 HydrophobicContact CD1-CG 4.24Å; R55-F59 WeakPolarHBondContact O-CB 3.46Å; R55-F59 PolarHBondContact O-N 3.45Å; D56-F59 WeakPolarHBondContact O-CB 3.37Å; D56-F59 PolarHBondContact O-N 3.07Å; K57-F59 VanDerWaalsContact C-N 3.28Å; K57-F59 PolarHBondContact O-N 3.08Å; F59-L62 PolarHBondContact O-N 3.48Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CE1-CG 3.73Å; F59-M63 HydrophobicContact CZ-CG 3.94Å; F59-M63 HydrophobicContact CZ-SD 4.32Å; F59-M63 WeakPolarHBondContact O-CB 3.46Å; F59-M63 WeakPolarHBondContact O-CG 3.39Å; F59-M63 PolarHBondContact O-N 2.66Å
60Q96.5Very high95.8Very high112 Ų11280.5 Ų80.552%0.52340%0.401SS..Hα-helixtrans-62.7-44.7177.4-71.5172.727.400111.8D56 K57 M63 E64D56-Q60 WeakPolarHBondContact O-CG 3.34Å; D56-Q60 PolarHBondContact O-N 3.16Å; D56-Q60 PolarHBondContact OD1-NE2 2.95Å; D56-Q60 PolarHBondContact OD2-NE2 2.92Å; K57-Q60 PolarHBondContact O-N 3.16Å; Q60-M63 PolarHBondContact O-N 3.36Å; Q60-E64 PolarHBondContact O-N 3.34Å
61E96Very high96Very high109 Ų10979.2 Ų79.251%0.50939%0.393SS..Hα-helixtrans-60.9-44.7175.6-71.2175.8-174.500111.5K57 M63 E64 V65K57-E61 WeakPolarHBondContact CE-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.49Å; K57-E61 PolarHBondContact O-N 3.43Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 2.78Å; E61-E64 PolarHBondContact O-N 3.02Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3Å
62L95.4Very high96.2Very high12 Ų1279.6 Ų79.66%0.06340%0.399CS..Hα-helixtrans-65.6-34.1175.7-74.3172.2000113.2R12 L13 V16 E58 F59 V65 A66R12-L62 HydrophobicContact CB-CD1 3.99Å; R12-L62 HydrophobicContact CB-CD2 4.26Å; L13-L62 HydrophobicContact CD2-CB 3.53Å; L13-L62 HydrophobicContact CG-CB 3.98Å; V16-L62 HydrophobicContact CG2-CD1 3.94Å; E58-L62 HydrophobicContact CG-CD1 4.18Å; E58-L62 WeakPolarHBondContact O-CB 3.36Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.39Å; E58-L62 PolarHBondContact O-N 3.49Å; F59-L62 PolarHBondContact O-N 3.48Å; L62-V65 PolarHBondContact O-N 3.5Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.31Å
63M96Very high96.3Very high82 Ų8282.1 Ų82.140%0.40441%0.409SS..Hα-helixtrans-68.6-36.7176.4-85.4-53.3-4100112.3L13 F59 Q60 E61 A66 Q67L13-M63 HydrophobicContact CD1-SD 3.7Å; L13-M63 HydrophobicContact CD2-CG 3.73Å; L13-M63 HydrophobicContact CD2-SD 3.66Å; L13-M63 HydrophobicContact CG-SD 4.34Å; F59-M63 HydrophobicContact CD1-CG 4.17Å; F59-M63 HydrophobicContact CE1-CG 3.73Å; F59-M63 HydrophobicContact CZ-CG 3.94Å; F59-M63 HydrophobicContact CZ-SD 4.32Å; F59-M63 WeakPolarHBondContact O-CB 3.46Å; F59-M63 WeakPolarHBondContact O-CG 3.39Å; F59-M63 PolarHBondContact O-N 2.66Å; Q60-M63 PolarHBondContact O-N 3.36Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 2.78Å; M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 PolarHBondContact O-N 2.91Å; M63-Q67 PolarHBondContact O-N 2.67Å
64E96.4Very high96.4Very high118 Ų11883.9 Ų83.955%0.55141%0.411SS*.Hα-helixtrans-62.7-45.5173.2-164.3-175.3163.700110.9Q60 E61 A66 Q67 Q68Q60-E64 PolarHBondContact O-N 3.34Å; E61-E64 PolarHBondContact O-N 3.02Å; E64-A66 PolarHBondContact O-N 2.93Å; E64-Q67 PolarHBondContact O-N 3.45Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.29Å; E64-Q68 PolarHBondContact OE1-NE2 3.02Å
65V95.9Very high96.4Very high62 Ų6284.7 Ų84.738%0.37642%0.415SS..Hα-helixtrans-58.8-44.7175.2174.10000111.5T9 E61 L62 Q67 Q68 Q69T9-V65 HydrophobicContact CG2-CG1 4.14Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3Å; L62-V65 PolarHBondContact O-N 3.5Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3Å; V65-Q68 PolarHBondContact O-N 2.87Å; V65-Q69 HydrophobicContact CG1-CG 4.45Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.14Å
66A96.2Very high96.5Very high26 Ų2685.6 Ų85.622%0.21542%0.424CS..Hα-helixtrans-63-37176.900000112.5T9 L13 L62 M63 E64 Q69 G70T9-A66 HydrophobicContact CG2-CB 4.09Å; L13-A66 HydrophobicContact CD1-CB 3.79Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.31Å; M63-A66 HydrophobicContact CE-CB 4.47Å; M63-A66 PolarHBondContact O-N 2.91Å; E64-A66 PolarHBondContact O-N 2.93Å; A66-Q69 PolarHBondContact O-N 3.45Å; A66-G70 PolarHBondContact O-N 2.91Å
67Q96.5Very high96.6Very high121 Ų12185.9 Ų85.957%0.56542%0.423SS*.Hα-helixtrans-67.6-39.7175.3-164.4-174.132.700112M63 E64 V65 G70 K71M63-Q67 PolarHBondContact O-N 2.67Å; E64-Q67 PolarHBondContact O-N 3.45Å; E64-Q67 VanDerWaalsContact O-N 3.16Å; V65-Q67 VanDerWaalsContact C-N 3.32Å; V65-Q67 PolarHBondContact O-N 3Å; Q67-G70 PolarHBondContact O-N 2.97Å; Q67-K71 PolarHBondContact O-N 3.47Å; Q67-K71 VanDerWaalsContact O-N 3.16Å
68Q96.5Very high96.7Very high96 Ų9686.2 Ų86.245%0.44943%0.429SS..Hα-helixtrans-64-45.8174.5-67.2175.117.300111.2E64 V65 G70 K71 V72E64-Q68 WeakPolarHBondContact O-CG 3.46Å; E64-Q68 PolarHBondContact O-N 3.29Å; E64-Q68 PolarHBondContact OE1-NE2 3.02Å; V65-Q68 PolarHBondContact O-N 2.87Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.26Å; Q68-K71 PolarHBondContact O-N 2.92Å; Q68-K71 VanDerWaalsContact O-N 3.16Å; Q68-V72 PolarHBondContact O-N 3.13Å; Q68-V72 VanDerWaalsContact O-N 3.11Å
69Q95.6Very high96.8Very high93 Ų9389 Ų8944%0.43545%0.445SS..Hα-helixtrans-58.3-39.5173.7-72.6174-6.100112.1T9 V65 A66 K71 V72 H73T9-Q69 VanDerWaalsContact OG1-CD 3.26Å; T9-Q69 PolarHBondContact OG1-NE2 3.04Å; T9-Q69 PolarHBondContact OG1-OE1 2.99Å; V65-Q69 HydrophobicContact CG1-CG 4.45Å; V65-Q69 WeakPolarHBondContact O-CG 3.38Å; V65-Q69 PolarHBondContact O-N 3.14Å; A66-Q69 PolarHBondContact O-N 3.45Å; Q69-K71 PolarHBondContact O-N 3.37Å; Q69-V72 PolarHBondContact O-N 3.48Å; Q69-H73 WeakPolarHBondContact O-CB 3.39Å; Q69-H73 PolarHBondContact O-N 3.34Å
70G96Very high96.9Very high33 Ų3392 Ų9234%0.3446%0.46SS..Hα-helixtrans-60.9-40.3174.800000113.8A66 Q67 Q68 H73 Q74A66-G70 PolarHBondContact O-N 2.91Å; Q67-G70 PolarHBondContact O-N 2.97Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.26Å; G70-H73 PolarHBondContact O-N 3.47Å; G70-Q74 WeakPolarHBondContact O-CG 3.48Å; G70-Q74 PolarHBondContact O-N 2.86Å; G70-Q74 VanDerWaalsContact O-N 3.13Å
71K97.6Very high97Very high114 Ų11492.7 Ų92.750%0.49646%0.461SS..Hα-helixtrans-65.3-49.5175.4-67.5171.9-175.1172.40111.5Q67 Q68 Q69 H73 Q74 E75Q67-K71 PolarHBondContact O-N 3.47Å; Q67-K71 VanDerWaalsContact O-N 3.16Å; Q68-K71 PolarHBondContact O-N 2.92Å; Q68-K71 VanDerWaalsContact O-N 3.16Å; Q69-K71 PolarHBondContact O-N 3.37Å; K71-H73 VanDerWaalsContact C-N 3.25Å; K71-H73 PolarHBondContact O-N 3.09Å; K71-Q74 WeakPolarHBondContact O-CB 3.31Å; K71-Q74 PolarHBondContact O-N 3.37Å; K71-Q74 VanDerWaalsContact O-N 3.08Å; K71-E75 PolarHBondContact O-N 3Å
72V97.4Very high97.1Very high90 Ų9090.7 Ų90.755%0.54545%0.452SS..Hα-helixtrans-59.7-38177.7175.80000111.2Q68 Q69 E75 M76Q68-V72 PolarHBondContact O-N 3.13Å; Q68-V72 VanDerWaalsContact O-N 3.11Å; Q69-V72 PolarHBondContact O-N 3.48Å; V72-E75 PolarHBondContact O-N 3.16Å; V72-M76 WeakPolarHBondContact O-CB 3.38Å; V72-M76 PolarHBondContact O-N 3.36Å
73H96.6Very high97.2Very high90 Ų9093.6 Ų93.642%0.41747%0.47SS..Hα-helixtrans-66.1-36.9176.1-171.863.1000112.9Q69 G70 K71 M76 Q77Q69-H73 WeakPolarHBondContact O-CB 3.39Å; Q69-H73 PolarHBondContact O-N 3.34Å; G70-H73 PolarHBondContact O-N 3.47Å; K71-H73 VanDerWaalsContact C-N 3.25Å; K71-H73 PolarHBondContact O-N 3.09Å; H73-M76 WeakPolarHBondContact ND1-CE 3.42Å; H73-M76 PolarHBondContact O-N 3.15Å; H73-Q77 PolarHBondContact CD2-NE2 2.73Å; H73-Q77 VanDerWaalsContact CD2-NE2 3.33Å; H73-Q77 PolarHBondContact NE2-NE2 3.28Å; H73-Q77 WeakPolarHBondContact O-CG 3.37Å; H73-Q77 PolarHBondContact O-N 3.03Å
74Q97.9Very high97.4Very high127 Ų12796.4 Ų96.459%0.59348%0.482SS*.Hα-helixtrans-65.7-43173.4-70.8171.87.500111.9G70 K71 M76 Q77 L78G70-Q74 WeakPolarHBondContact O-CG 3.48Å; G70-Q74 PolarHBondContact O-N 2.86Å; G70-Q74 VanDerWaalsContact O-N 3.13Å; K71-Q74 WeakPolarHBondContact O-CB 3.31Å; K71-Q74 PolarHBondContact O-N 3.37Å; K71-Q74 VanDerWaalsContact O-N 3.08Å; Q74-M76 VanDerWaalsContact C-N 3.34Å; Q74-Q77 PolarHBondContact O-N 3.36Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.88Å; Q74-L78 VanDerWaalsContact O-N 3.09Å
75E98Very high97.5Very high133 Ų13396.3 Ų96.362%0.62148%0.48SS*.Hα-helixtrans-62-42.2175.4-69.6176.8177.200111.6K71 V72 L78 L79K71-E75 PolarHBondContact O-N 3Å; V72-E75 PolarHBondContact O-N 3.16Å; E75-L78 PolarHBondContact O-N 2.9Å; E75-L79 PolarHBondContact O-N 3.1Å
76M98.1Very high97.6Very high89 Ų8999.7 Ų99.744%0.43849%0.486SS..Hα-helixtrans-60.7-47.2174.9-176.7164.457.200112.1V72 H73 Q74 L78 L79 E80V72-M76 WeakPolarHBondContact O-CB 3.38Å; V72-M76 PolarHBondContact O-N 3.36Å; H73-M76 WeakPolarHBondContact ND1-CE 3.42Å; H73-M76 PolarHBondContact O-N 3.15Å; Q74-M76 VanDerWaalsContact C-N 3.34Å; M76-L78 VanDerWaalsContact C-N 3.28Å; M76-L78 PolarHBondContact O-N 3.22Å; M76-L79 PolarHBondContact O-N 2.88Å; M76-L79 VanDerWaalsContact O-N 3.14Å; M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.38Å
77Q98.2Very high97.7Very high78 Ų78102.4 Ų102.436%0.36450%0.497SS..Hα-helixtrans-61.8-32.5176.1-73.7-177.513.800113.5H73 Q74 K81H73-Q77 PolarHBondContact CD2-NE2 2.73Å; H73-Q77 VanDerWaalsContact CD2-NE2 3.33Å; H73-Q77 PolarHBondContact NE2-NE2 3.28Å; H73-Q77 WeakPolarHBondContact O-CG 3.37Å; H73-Q77 PolarHBondContact O-N 3.03Å; Q74-Q77 PolarHBondContact O-N 3.36Å; Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 2.75Å
78L97.8Very high97.8Very high120 Ų12099.9 Ų99.963%0.62849%0.493SS*.Hα-helixtrans-71-41.3174.7-71.1173.2000111Q74 E75 M76 E82Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.88Å; Q74-L78 VanDerWaalsContact O-N 3.09Å; E75-L78 PolarHBondContact O-N 2.9Å; M76-L78 VanDerWaalsContact C-N 3.28Å; M76-L78 PolarHBondContact O-N 3.22Å; L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.2Å
79L98.3Very high97.9Very high115 Ų11599 Ų9960%0.60249%0.491SS*.Hα-helixtrans-67.1-41177.9-168.964.8000111.9E75 M76 K81 E82 V83E75-L79 PolarHBondContact O-N 3.1Å; M76-L79 PolarHBondContact O-N 2.88Å; M76-L79 VanDerWaalsContact O-N 3.14Å; L79-K81 PolarHBondContact O-N 3.45Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 PolarHBondContact O-N 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.14Å
80E98.1Very high98Very high111 Ų11199.3 Ų99.352%0.51950%0.495SS..Hα-helixtrans-56.4-48.3175.5-76.6171.317000112M76 E82 V83 E84M76-E80 WeakPolarHBondContact O-CG 3.48Å; M76-E80 PolarHBondContact O-N 3.38Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.86Å; E80-V83 PolarHBondContact O-N 3.32Å; E80-E84 PolarHBondContact O-N 3.42Å
81K98.1Very high98.1Very high127 Ų127103.9 Ų103.955%0.55251%0.507SS*.Hα-helixtrans-62-37.1177-70.7169.6-175.7171.70113Q77 L79 K85Q77-K81 WeakPolarHBondContact O-CG 3.35Å; Q77-K81 PolarHBondContact O-N 2.75Å; L79-K81 PolarHBondContact O-N 3.45Å; K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 2.92Å
82E98.3Very high98.2Very high68 Ų68103.7 Ų103.732%0.31851%0.508SS..Hα-helixtrans-79.5-20.4-178.718058.7-163.200111.9L78 L79 E80 R86L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.2Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 PolarHBondContact O-N 3.23Å; E80-E82 VanDerWaalsContact C-N 3.3Å; E80-E82 PolarHBondContact O-N 2.86Å; E82-R86 VanDerWaalsContact CD-NH1 3.32Å; E82-R86 VanDerWaalsContact CG-NH1 3.27Å; E82-R86 PolarHBondContact O-N 3.47Å; E82-R86 PolarHBondContact O-NH1 2.97Å; E82-R86 IonicContact OE1-CZ 3.07Å; E82-R86 IonicContact OE1-NH1 2.66Å; E82-R86 PolarHBondContact OE1-NH1 3.23Å; E82-R86 IonicContact OE1-NH2 3.13Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å
83V98.6Very high98.2Very high72 Ų72104.1 Ų104.144%0.43651%0.507SS..Hα-helixtrans-75.3-50.7164.1169.50000110.8L79 E80 K85 R86 D87L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.14Å; E80-V83 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 3.33Å; V83-R86 WeakPolarHBondContact O-CA 3.45Å; V83-R86 PolarHBondContact O-N 2.88Å; V83-D87 PolarHBondContact O-N 3.24Å
84E98.4Very high98.3Very high142 Ų142105 Ų10566%0.66451%0.511SS*.Hα-helixtrans-54.6-41.9178.4-177.5178.3-156.400111.7E80 D87 S88E80-E84 PolarHBondContact O-N 3.42Å; E84-D87 PolarHBondContact O-N 3Å; E84-S88 PolarHBondContact O-N 2.95Å
85K98.5Very high98.4Very high116 Ų116106 Ų10650%0.50451%0.513SS..Hα-helixtrans-60.4-47.6172.6-177.2-175.5169.8-166.10112.6K81 V83 D87 S88 D89K81-K85 WeakPolarHBondContact O-CB 3.37Å; K81-K85 PolarHBondContact O-N 2.92Å; V83-K85 PolarHBondContact O-N 3.33Å; K85-D87 VanDerWaalsContact C-N 3.34Å; K85-D87 PolarHBondContact O-N 2.88Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.48Å; K85-D89 PolarHBondContact O-N 3.42Å
86R98.3Very high98.4Very high132 Ų132104.3 Ų104.350%0.49851%0.505SS..Hα-helixtrans-63.8-38.5178-81.4-168.6179.270.419.4112.4E82 V83 S88 D89 I90E82-R86 VanDerWaalsContact CD-NH1 3.32Å; E82-R86 VanDerWaalsContact CG-NH1 3.27Å; E82-R86 PolarHBondContact O-N 3.47Å; E82-R86 PolarHBondContact O-NH1 2.97Å; E82-R86 IonicContact OE1-CZ 3.07Å; E82-R86 IonicContact OE1-NH1 2.66Å; E82-R86 PolarHBondContact OE1-NH1 3.23Å; E82-R86 IonicContact OE1-NH2 3.13Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å; V83-R86 WeakPolarHBondContact O-CA 3.45Å; V83-R86 PolarHBondContact O-N 2.88Å; R86-S88 VanDerWaalsContact C-N 3.31Å; R86-S88 PolarHBondContact O-N 2.89Å; R86-D89 PolarHBondContact O-N 3.32Å; R86-I90 WeakPolarHBondContact O-CB 3.21Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 3.5Å
87D98.6Very high98.4Very high83 Ų83105.8 Ų105.844%0.44452%0.515SS..Hα-helixtrans-65-37.6175.9-76.3-16.7000111.2V83 E84 K85 I90 Q91V83-D87 PolarHBondContact O-N 3.24Å; E84-D87 PolarHBondContact O-N 3Å; K85-D87 VanDerWaalsContact C-N 3.34Å; K85-D87 PolarHBondContact O-N 2.88Å; D87-I90 PolarHBondContact O-N 3.43Å; D87-Q91 VanDerWaalsContact O-CG 3.26Å; D87-Q91 WeakPolarHBondContact O-CG 3.33Å; D87-Q91 PolarHBondContact O-N 3.01Å
88S98.5Very high98.4Very high69 Ų69107.9 Ų107.948%0.48352%0.523SS..Hα-helixtrans-62.3-47.9171.9-1610000112.2E84 K85 R86 I90 Q91 Q92E84-S88 PolarHBondContact O-N 2.95Å; K85-S88 WeakPolarHBondContact O-CB 3.43Å; K85-S88 PolarHBondContact O-N 3.48Å; R86-S88 VanDerWaalsContact C-N 3.31Å; R86-S88 PolarHBondContact O-N 2.89Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.96Å; S88-Q91 PolarHBondContact O-N 3.4Å; S88-Q92 PolarHBondContact O-N 3.39Å
89D98.4Very high98.4Very high76 Ų76107.6 Ų107.641%0.40652%0.518SS..Hα-helixtrans-59-42.6176.1-69.9-26.7000111.4K85 R86 Q92 L93K85-D89 PolarHBondContact O-N 3.42Å; R86-D89 PolarHBondContact O-N 3.32Å; D89-Q92 PolarHBondContact O-N 3.4Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.26Å; D89-L93 PolarHBondContact O-N 3.38Å
90I98.6Very high98.5Very high101 Ų101104.7 Ų104.752%0.51851%0.511SS..Hα-helixtrans-63.8-44.2177.1-72.1164000111.3R86 D87 S88 L93 Q94R86-I90 WeakPolarHBondContact O-CB 3.21Å; R86-I90 WeakPolarHBondContact O-CD1 3.38Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 3.5Å; D87-I90 PolarHBondContact O-N 3.43Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.96Å; I90-L93 PolarHBondContact O-N 2.92Å; I90-Q94 WeakPolarHBondContact O-CB 3.47Å; I90-Q94 PolarHBondContact O-N 3.24Å
91Q98.6Very high98.5Very high129 Ų129106 Ų10660%0.60352%0.516SS*.Hα-helixtrans-62.9-41.5176.7-73.21742900111.7D87 S88 Q94 K95D87-Q91 VanDerWaalsContact O-CG 3.26Å; D87-Q91 WeakPolarHBondContact O-CG 3.33Å; D87-Q91 PolarHBondContact O-N 3.01Å; S88-Q91 PolarHBondContact O-N 3.4Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q91-K95 PolarHBondContact O-N 3.25Å
92Q98.5Very high98.5Very high110 Ų110106.2 Ų106.251%0.51452%0.519SS..Hα-helixtrans-63.4-46.8176-179172.7-15.200111.7S88 D89 Q94 K95 Q96S88-Q92 PolarHBondContact O-N 3.39Å; D89-Q92 PolarHBondContact O-N 3.4Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q92-K95 PolarHBondContact O-N 2.95Å; Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 2.91Å
93L98.6Very high98.5Very high99 Ų99108 Ų10852%0.51853%0.53SS..Hα-helixtrans-60.9-42.9175.9-74.2169000111.7D89 I90 K95 Q96 L97D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 WeakPolarHBondContact O-CG 3.26Å; D89-L93 PolarHBondContact O-N 3.38Å; I90-L93 PolarHBondContact O-N 2.92Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.3Å; L93-Q96 PolarHBondContact O-N 3.41Å; L93-L97 WeakPolarHBondContact O-CB 3.31Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.41Å
94Q98.6Very high98.5Very high107 Ų107110 Ų11050%0.554%0.537SS..Hα-helixtrans-60.9-40.7176.7-167.2-166.426.900111.8I90 Q91 Q92 K98I90-Q94 WeakPolarHBondContact O-CB 3.47Å; I90-Q94 PolarHBondContact O-N 3.24Å; Q91-Q94 PolarHBondContact O-N 3.02Å; Q92-Q94 PolarHBondContact O-N 2.88Å; Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.24Å; Q94-K98 VanDerWaalsContact O-N 3.14Å
95K98.5Very high98.5Very high148 Ų148106.1 Ų106.164%0.64353%0.53SS*.Hα-helixtrans-62.7-49.1175.8-176.6-177.8175.5-175.70111.2Q91 Q92 L93 L97 K98 E99Q91-K95 PolarHBondContact O-N 3.25Å; Q92-K95 PolarHBondContact O-N 2.95Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.3Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 3.48Å; K95-K98 PolarHBondContact O-N 3.14Å; K95-E99 PolarHBondContact O-N 2.87Å
96Q98.5Very high98.5Very high98 Ų98103.2 Ų103.246%0.45852%0.522SS..Hα-helixtrans-61.7-39179-71.6177.9-17.300112.4Q92 L93 E99 A100Q92-Q96 WeakPolarHBondContact O-CG 3.44Å; Q92-Q96 PolarHBondContact O-N 2.91Å; L93-Q96 PolarHBondContact O-N 3.41Å; Q96-E99 PolarHBondContact O-N 3.01Å; Q96-A100 WeakPolarHBondContact O-CB 3.29Å; Q96-A100 PolarHBondContact O-N 3.41Å
97L98.6Very high98.5Very high121 Ų12199.3 Ų99.363%0.63452%0.518SS*.Hα-helixtrans-65.5-41.6176.9-73.5170.4000112.4L93 K95 E99 A100 E101L93-L97 WeakPolarHBondContact O-CB 3.31Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.41Å; K95-L97 VanDerWaalsContact C-N 3.33Å; K95-L97 PolarHBondContact O-N 3.48Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-A100 PolarHBondContact O-N 3.42Å; L97-E101 WeakPolarHBondContact O-CB 3.34Å; L97-E101 PolarHBondContact O-N 2.99Å
98K98.5Very high98.5Very high122 Ų12298.4 Ų98.453%0.5352%0.515SS..Hα-helixtrans-64.1-38.3174.6-73.4174.8178.4174.70112.5Q94 K95 H102Q94-K98 WeakPolarHBondContact O-CG 3.38Å; Q94-K98 PolarHBondContact O-N 3.24Å; Q94-K98 VanDerWaalsContact O-N 3.14Å; K95-K98 PolarHBondContact O-N 3.14Å; K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.3Å
99E98.3Very high98.5Very high114 Ų114102.2 Ų102.253%0.53352%0.52SS..Hα-helixtrans-66.2-46.3175.7-172.2175.8168.600111.3K95 Q96 L97 E101 H102 I103K95-E99 PolarHBondContact O-N 2.87Å; Q96-E99 PolarHBondContact O-N 3.01Å; L97-E99 VanDerWaalsContact C-N 3.34Å; E99-E101 PolarHBondContact O-N 3.47Å; E99-H102 PolarHBondContact O-N 3.06Å; E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.29Å
100A98.5Very high98.5Very high54 Ų54103.6 Ų103.645%0.44652%0.524SS..Hα-helixtrans-62.3-40.4175.500000112.7Q96 L97 I103 L104Q96-A100 WeakPolarHBondContact O-CB 3.29Å; Q96-A100 PolarHBondContact O-N 3.41Å; L97-A100 PolarHBondContact O-N 3.42Å; A100-I103 PolarHBondContact O-N 2.85Å; A100-L104 VanDerWaalsContact O-CB 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.27Å; A100-L104 PolarHBondContact O-N 3.44Å
101E98.3Very high98.5Very high137 Ų137101.1 Ų101.164%0.6452%0.519SS*.Hα-helixtrans-58.5-47.4172.8180-178.1-167.700111.3L97 E99 L104 A105L97-E101 WeakPolarHBondContact O-CB 3.34Å; L97-E101 PolarHBondContact O-N 2.99Å; E99-E101 PolarHBondContact O-N 3.47Å; E101-L104 PolarHBondContact O-N 2.87Å; E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.49Å
102H98.3Very high98.4Very high133 Ų133100.9 Ų100.962%0.61652%0.516SS*.Hα-helixtrans-64.2-43.3-179.9-177.168.9000112.8K98 E99 T106K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.3Å; E99-H102 PolarHBondContact O-N 3.06Å; H102-T106 WeakPolarHBondContact O-CB 3.37Å; H102-T106 PolarHBondContact O-N 3.14Å; H102-T106 PolarHBondContact O-OG1 2.92Å
103I98.3Very high98.4Very high104 Ų10499.1 Ų99.153%0.53351%0.507SS..Hα-helixtrans-61.3-46.2174.9-67.4165.8000110.1E99 A100 T106 A107E99-I103 HydrophobicContact CG-CD1 4.17Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.29Å; A100-I103 PolarHBondContact O-N 2.85Å; I103-T106 PolarHBondContact O-N 3.03Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.48Å
104L98.4Very high98.4Very high114 Ų114100.7 Ų100.760%0.59751%0.51SS*.Hα-helixtrans-65.1-44.2-179.7-177.862000112.1A100 E101 T106 A107 V108A100-L104 VanDerWaalsContact O-CB 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.27Å; A100-L104 PolarHBondContact O-N 3.44Å; E101-L104 PolarHBondContact O-N 2.87Å; L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 3.31Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-V108 HydrophobicContact CD1-CG2 4.19Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.38Å; L104-V108 PolarHBondContact O-N 3.04Å
105A98.4Very high98.4Very high61 Ų61100.6 Ų100.650%0.50451%0.513SS..Hα-helixtrans-58.9-44.9176.300000111.5E101 V108 Y109E101-A105 WeakPolarHBondContact O-CB 3.42Å; E101-A105 PolarHBondContact O-N 3.49Å; A105-V108 PolarHBondContact O-N 3.35Å; A105-Y109 WeakPolarHBondContact O-CB 3.47Å; A105-Y109 PolarHBondContact O-N 2.97Å
106T98.4Very high98.3Very high55 Ų5599.4 Ų99.434%0.33751%0.507SS..Hα-helixtrans-63.7-45.7176.6-57.30000111.6H102 I103 L104 V108 Y109 Q110H102-T106 WeakPolarHBondContact O-CB 3.37Å; H102-T106 PolarHBondContact O-N 3.14Å; H102-T106 PolarHBondContact O-OG1 2.92Å; I103-T106 PolarHBondContact O-N 3.03Å; L104-T106 VanDerWaalsContact C-N 3.33Å; L104-T106 PolarHBondContact O-N 3.31Å; T106-V108 PolarHBondContact O-N 3.3Å; T106-Y109 PolarHBondContact O-N 3.48Å; T106-Q110 WeakPolarHBondContact O-CG 3.37Å; T106-Q110 PolarHBondContact O-N 3.36Å
107A98.6Very high98.2Very high51 Ų5198 Ų9842%0.42151%0.508SS..Hα-helixtrans-62.4-42.1177.500000112.3I103 L104 Q110 A111I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.48Å; L104-A107 PolarHBondContact O-N 2.94Å; A107-Q110 PolarHBondContact O-N 2.88Å; A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.49Å; A107-A111 PolarHBondContact O-N 2.89Å
108V98.5Very high98.1Very high63 Ų6397.2 Ų97.238%0.38250%0.504SS..Hα-helixtrans-65.1-40.1176.2168.80000111.5L104 A105 T106 A111 K112L104-V108 HydrophobicContact CD1-CG2 4.19Å; L104-V108 HydrophobicContact CG-CG2 4.45Å; L104-V108 WeakPolarHBondContact O-CB 3.35Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.38Å; L104-V108 PolarHBondContact O-N 3.04Å; A105-V108 PolarHBondContact O-N 3.35Å; T106-V108 PolarHBondContact O-N 3.3Å; V108-A111 PolarHBondContact O-N 2.96Å; V108-K112 HydrophobicContact CG1-CD 4.28Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.44Å
109Y98.4Very high97.9Very high150 Ų15096.2 Ų96.259%0.58850%0.501SS*.Hα-helixtrans-62.1-51.1174.5179.2-96.9000111.4A105 T106 A111 K112 E113A105-Y109 WeakPolarHBondContact O-CB 3.47Å; A105-Y109 PolarHBondContact O-N 2.97Å; T106-Y109 PolarHBondContact O-N 3.48Å; Y109-A111 VanDerWaalsContact C-N 3.31Å; Y109-A111 PolarHBondContact O-N 3.39Å; Y109-K112 WeakPolarHBondContact O-CB 3.43Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y109-K112 VanDerWaalsContact O-N 3.14Å; Y109-E113 HydrophobicContact CD1-CG 4.48Å; Y109-E113 HydrophobicContact CE1-CG 3.98Å; Y109-E113 PolarHBondContact O-N 3.44Å
110Q98.5Very high97.7Very high104 Ų10498.9 Ų98.949%0.48651%0.511SS..Hα-helixtrans-60.6-38.2177.5-69.1-179.612.500112.6T106 A107 E113 K114T106-Q110 WeakPolarHBondContact O-CG 3.37Å; T106-Q110 PolarHBondContact O-N 3.36Å; A107-Q110 PolarHBondContact O-N 2.88Å; Q110-E113 PolarHBondContact O-N 3.44Å; Q110-K114 WeakPolarHBondContact O-CB 3.41Å; Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 3Å
111A98.4Very high97.5Very high50 Ų5099.4 Ų99.441%0.41352%0.516SS..Hα-helixtrans-63.8-41.5175.300000111.9A107 V108 Y109 K114 L115A107-A111 VanDerWaalsContact O-CB 3.29Å; A107-A111 WeakPolarHBondContact O-CB 3.49Å; A107-A111 PolarHBondContact O-N 2.89Å; V108-A111 PolarHBondContact O-N 2.96Å; Y109-A111 VanDerWaalsContact C-N 3.31Å; Y109-A111 PolarHBondContact O-N 3.39Å; A111-K114 PolarHBondContact O-N 3.06Å; A111-L115 WeakPolarHBondContact O-CG 3.24Å; A111-L115 PolarHBondContact O-N 2.88Å
112K98.2Very high97.1Very high124 Ų124101.4 Ų101.454%0.53952%0.517SS..Hα-helixtrans-63.2-42.8175.2-74.7173.1179.3177.90112.2V108 Y109 L115 K116V108-K112 HydrophobicContact CG1-CD 4.28Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.44Å; Y109-K112 WeakPolarHBondContact O-CB 3.43Å; Y109-K112 PolarHBondContact O-N 2.9Å; Y109-K112 VanDerWaalsContact O-N 3.14Å; K112-L115 PolarHBondContact O-N 3.48Å; K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.39Å
113E98.3Very high96.8Very high72 Ų72103.2 Ų103.234%0.33652%0.523SS..Hα-helixtrans-65.1-39.7175.4-68.1-51.1116.700112.4Y109 Q110 L115 K116 S117Y109-E113 HydrophobicContact CD1-CG 4.48Å; Y109-E113 HydrophobicContact CE1-CG 3.98Å; Y109-E113 PolarHBondContact O-N 3.44Å; Q110-E113 PolarHBondContact O-N 3.44Å; E113-L115 PolarHBondContact O-N 2.97Å; E113-K116 PolarHBondContact O-N 2.84Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 3.47Å; E113-K116 IonicContact OE2-NZ 3.95Å; E113-S117 PolarHBondContact O-N 3.3Å
114K97.9Very high96.2Very high133 Ų133100.9 Ų100.958%0.57853%0.525SS*.Hα-helixtrans-63.4-37.6172.8-74175.9-178.8176.80112.6Q110 A111 S117 I118Q110-K114 WeakPolarHBondContact O-CB 3.41Å; Q110-K114 WeakPolarHBondContact O-CG 3.44Å; Q110-K114 PolarHBondContact O-N 3Å; A111-K114 PolarHBondContact O-N 3.06Å; K114-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-OG 3.29Å; K114-I118 WeakPolarHBondContact O-CD1 3.46Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.5Å; K114-I118 PolarHBondContact O-N 3.31Å
115L98.1Very high95.7Very high105 Ų10599.9 Ų99.955%0.5553%0.527SS..Hα-helixtrans-64.8-42.9174.4-73.8169.8000111.8A111 K112 E113 S117 I118 E119A111-L115 WeakPolarHBondContact O-CG 3.24Å; A111-L115 PolarHBondContact O-N 2.88Å; K112-L115 PolarHBondContact O-N 3.48Å; E113-L115 PolarHBondContact O-N 2.97Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.97Å; L115-I118 PolarHBondContact O-N 3.44Å; L115-E119 PolarHBondContact O-N 3.24Å
116K97.1Very high95.3Very high122 Ų122102.4 Ų102.453%0.5353%0.531SS..Hα-helixtrans-58.9-42.2174.4-69.2173.3-176.8173.40112.3K112 E113 E119 K120K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.39Å; E113-K116 PolarHBondContact O-N 2.84Å; E113-K116 WeakPolarHBondContact OE1-CE 3.37Å; E113-K116 IonicContact OE1-NZ 3.82Å; E113-K116 PolarHBondContact OE1-NZ 3.47Å; E113-K116 IonicContact OE2-NZ 3.95Å; K116-E119 PolarHBondContact O-N 2.6Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 3.12Å
117S95.9Very high95Very high69 Ų69102.2 Ų102.248%0.48353%0.532SS..Hα-helixtrans-69.9-38.1179.269.60000112.3E113 K114 L115 K120 A121E113-S117 PolarHBondContact O-N 3.3Å; K114-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-OG 3.29Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.97Å; S117-K120 PolarHBondContact O-N 3.06Å; S117-A121 WeakPolarHBondContact O-CB 3.1Å; S117-A121 PolarHBondContact O-N 2.6Å
118I95.9Very high94.7Very high105 Ų105104.1 Ų104.154%0.53854%0.542SS..Hα-helixtrans-61.1-45.4171.5-69.6164.3000111.1K114 L115 K120 A121 R122K114-I118 WeakPolarHBondContact O-CD1 3.46Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.5Å; K114-I118 PolarHBondContact O-N 3.31Å; L115-I118 PolarHBondContact O-N 3.44Å; I118-K120 PolarHBondContact O-N 3.03Å; I118-A121 PolarHBondContact O-N 3.05Å; I118-R122 WeakPolarHBondContact O-CB 3.16Å; I118-R122 PolarHBondContact O-N 2.65Å
119E96.1Very high94.5Very high101 Ų101106.5 Ų106.547%0.47255%0.549SS..Hα-helixtrans-63.2-40176.7-76.1-172.3-176.900112.7L115 K116 R122 K123L115-E119 PolarHBondContact O-N 3.24Å; K116-E119 PolarHBondContact O-N 2.6Å; E119-R122 PolarHBondContact O-N 3.07Å; E119-K123 WeakPolarHBondContact O-CG 3.38Å; E119-K123 PolarHBondContact O-N 3.06Å
120K94.1Very high94.2Very high169 Ų169104.6 Ų104.674%0.73555%0.545SS*.Hα-helixtrans-62.1-45.3174.4-173.7179.8179.5-177.90111.1K116 S117 I118 K123 G124K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 3.12Å; S117-K120 PolarHBondContact O-N 3.06Å; I118-K120 PolarHBondContact O-N 3.03Å; K120-K123 PolarHBondContact O-N 3.44Å; K120-G124 PolarHBondContact O-N 3.15Å
121A92.5Very high94Very high66 Ų66104.2 Ų104.255%0.54555%0.546SS..Hα-helixtrans-63.5-41.117600000112.1S117 I118 K123 G124 S125S117-A121 WeakPolarHBondContact O-CB 3.1Å; S117-A121 PolarHBondContact O-N 2.6Å; I118-A121 PolarHBondContact O-N 3.05Å; A121-K123 PolarHBondContact O-N 3.03Å; A121-G124 CarbonylContact O-C 3.3Å; A121-G124 VanDerWaalsContact O-C 3.3Å; A121-G124 PolarHBondContact O-N 3.27Å; A121-G124 VanDerWaalsContact O-N 3.15Å; A121-S125 PolarHBondContact O-N 3.39Å
122R91Very high93.8Very high178 Ų178107.4 Ų107.467%0.67256%0.555SS**Hα-helixtrans-64.3-36.2177-165.8-178.274.5-168.10112.6I118 E119 G124 S125I118-R122 WeakPolarHBondContact O-CB 3.16Å; I118-R122 PolarHBondContact O-N 2.65Å; E119-R122 PolarHBondContact O-N 3.07Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.45Å; R122-S125 PolarHBondContact O-N 2.91Å; R122-S125 PolarHBondContact O-OG 3.35Å; R122-S125 VanDerWaalsContact O-OG 3.07Å
123K92.8Very high93.6Very high172 Ų172107 Ų10775%0.74855%0.553SS**Hα-helixtrans-67-30.3174.2-73.4173.4-176175.40112.7E119 K120 A121E119-K123 WeakPolarHBondContact O-CG 3.38Å; E119-K123 PolarHBondContact O-N 3.06Å; K120-K123 PolarHBondContact O-N 3.44Å; A121-K123 PolarHBondContact O-N 3.03Å
124G85.1Confident93.3Very high55 Ų55110.5 Ų110.557%0.56756%0.564SS**THydrogen-bonded Turntrans-100.821.7176.800000114.2K120 A121 R122 I126K120-G124 PolarHBondContact O-N 3.15Å; A121-G124 CarbonylContact O-C 3.3Å; A121-G124 VanDerWaalsContact O-C 3.3Å; A121-G124 PolarHBondContact O-N 3.27Å; A121-G124 VanDerWaalsContact O-N 3.15Å; R122-G124 VanDerWaalsContact C-N 3.29Å; R122-G124 PolarHBondContact O-N 3.45Å; G124-I126 PolarHBondContact O-N 3.41Å
125S88.3Confident93Very high92 Ų92106.5 Ų106.564%0.64356%0.556SS**PPolyproline II helixtrans-71.2117.4-176.961.40000111A121 R122A121-S125 PolarHBondContact O-N 3.39Å; R122-S125 PolarHBondContact O-N 2.91Å; R122-S125 PolarHBondContact O-OG 3.35Å; R122-S125 VanDerWaalsContact O-OG 3.07Å
126I89.9Confident92.7Very high115 Ų115107.9 Ų107.959%0.5956%0.559SS**PPolyproline II helixtrans-95.8142.7172.8-58168.5000107.6G124 E130 I131G124-I126 PolarHBondContact O-N 3.41Å; I126-E130 HydrophobicContact CG2-CB 3.9Å; I126-I131 HydrophobicContact CB-CD1 4.43Å; I126-I131 HydrophobicContact CB-CG1 4.42Å; I126-I131 HydrophobicContact CG2-CD1 4.43Å; I126-I131 HydrophobicContact CG2-CG1 3.9Å
127S92.5Very high92.3Very high50 Ų50110 Ų11035%0.3556%0.564SS.*PPolyproline II helixtrans-67.3144.1178.170.80000111E129 E130 I131S127-E129 PolarHBondContact O-N 2.99Å; S127-E130 VanDerWaalsContact CB-OE2 3.31Å; S127-E130 WeakPolarHBondContact CB-OE2 3.31Å; S127-E130 PolarHBondContact N-OE2 3.49Å; S127-E130 PolarHBondContact O-N 2.89Å; S127-E130 VanDerWaalsContact O-N 3.15Å; S127-E130 WeakPolarHBondContact OG-CB 3.44Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.27Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.37Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.38Å; S127-I131 VanDerWaalsContact O-N 3.12Å
128S91.8Very high91.8Very high91 Ų91109.6 Ų109.664%0.63656%0.555SS**Hα-helixtrans-59.2-31.5174.549.80000111.7I131 I132S128-I131 PolarHBondContact O-N 3.02Å; S128-I132 WeakPolarHBondContact O-CB 3.2Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.46Å; S128-I132 PolarHBondContact O-N 3.12Å
129E93.5Very high91.2Very high113 Ų113108.7 Ų108.753%0.52856%0.558SS.*Hα-helixtrans-65.2-42.2175.4-166.4-174.9167.400112.7S127 I132 K133S127-E129 PolarHBondContact O-N 2.99Å; E129-I132 PolarHBondContact O-N 2.91Å; E129-K133 VanDerWaalsContact CD-NZ 3.33Å; E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.47Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 3.41Å; E129-K133 WeakPolarHBondContact OE1-CE 3.28Å; E129-K133 IonicContact OE1-NZ 3.6Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å
130E93.1Very high90.5Very high110 Ų110106.9 Ų106.951%0.51456%0.561SS.*Hα-helixtrans-64.1-41.9173.4-75.1162.4129.900111.7I126 S127 K133 Y134I126-E130 HydrophobicContact CG2-CB 3.9Å; S127-E130 VanDerWaalsContact CB-OE2 3.31Å; S127-E130 WeakPolarHBondContact CB-OE2 3.31Å; S127-E130 PolarHBondContact N-OE2 3.49Å; S127-E130 PolarHBondContact O-N 2.89Å; S127-E130 VanDerWaalsContact O-N 3.15Å; S127-E130 WeakPolarHBondContact OG-CB 3.44Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.27Å; S127-E130 VanDerWaalsContact OG-N 3.12Å; S127-E130 PolarHBondContact OG-OE2 3.37Å; E130-K133 PolarHBondContact O-N 3.47Å; E130-Y134 WeakPolarHBondContact O-CB 3.35Å; E130-Y134 PolarHBondContact O-N 3.04Å
131I93.1Very high89.6Confident96 Ų96102.7 Ų102.749%0.49255%0.553SS.*Hα-helixtrans-60.4-46.8175.9-63.7170.1000110.1I126 S127 S128 Y134 A135I126-I131 HydrophobicContact CB-CD1 4.43Å; I126-I131 HydrophobicContact CB-CG1 4.42Å; I126-I131 HydrophobicContact CG2-CD1 4.43Å; I126-I131 HydrophobicContact CG2-CG1 3.9Å; S127-I131 WeakPolarHBondContact O-CG1 3.37Å; S127-I131 PolarHBondContact O-N 3.38Å; S127-I131 VanDerWaalsContact O-N 3.12Å; S128-I131 PolarHBondContact O-N 3.02Å; I131-Y134 PolarHBondContact O-N 3.15Å; I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.39Å
132I94.4Very high88.3Confident118 Ų118103.2 Ų103.261%0.60555%0.547SS*.Hα-helixtrans-63-46.9178.1-69.8161.3000111.1S128 E129 Y134 A135 H136S128-I132 WeakPolarHBondContact O-CB 3.2Å; S128-I132 WeakPolarHBondContact O-CD1 3.38Å; S128-I132 WeakPolarHBondContact O-CG1 3.46Å; S128-I132 PolarHBondContact O-N 3.12Å; E129-I132 PolarHBondContact O-N 2.91Å; I132-Y134 VanDerWaalsContact C-N 3.35Å; I132-Y134 PolarHBondContact O-N 3.49Å; I132-A135 PolarHBondContact O-N 3.46Å; I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.39Å
133K94.2Very high87.1Confident116 Ų11697.4 Ų97.450%0.50454%0.537SS..Hα-helixtrans-61.2-42.2177.2-75.7171.1-178.31680111.9E129 E130 R137E129-K133 VanDerWaalsContact CD-NZ 3.33Å; E129-K133 HydrophobicContact CG-CD 4.26Å; E129-K133 WeakPolarHBondContact O-CB 3.47Å; E129-K133 VanDerWaalsContact O-CG 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 3.41Å; E129-K133 WeakPolarHBondContact OE1-CE 3.28Å; E129-K133 IonicContact OE1-NZ 3.6Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å; E130-K133 PolarHBondContact O-N 3.47Å; K133-R137 WeakPolarHBondContact O-CG 3.48Å; K133-R137 PolarHBondContact O-N 2.85Å
134Y92.2Very high85.9Confident145 Ų14594 Ų9457%0.56953%0.53SS*.Hα-helixtrans-71.2-42.7-179.6-168.4-110.3000111.8E130 I131 I132 H136 R137 I138E130-Y134 WeakPolarHBondContact O-CB 3.35Å; E130-Y134 PolarHBondContact O-N 3.04Å; I131-Y134 PolarHBondContact O-N 3.15Å; I132-Y134 VanDerWaalsContact C-N 3.35Å; I132-Y134 PolarHBondContact O-N 3.49Å; Y134-H136 PolarHBondContact O-N 2.84Å; Y134-R137 WeakPolarHBondContact O-CB 3.49Å; Y134-R137 PolarHBondContact O-N 3.36Å; Y134-I138 HydrophobicContact CD1-CD1 3.72Å; Y134-I138 HydrophobicContact CE1-CD1 3.31Å; Y134-I138 HydrophobicContact CE1-CG1 4.25Å; Y134-I138 WeakPolarHBondContact O-CB 3.23Å; Y134-I138 WeakPolarHBondContact O-CG1 3.22Å; Y134-I138 PolarHBondContact O-N 3.37Å
135A92.1Very high85.2Confident48 Ų4895.5 Ų95.540%0.39753%0.531SS..Hα-helixtrans-58.9-46.5172.500000111.6I131 I132 R137 I138 S139I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.39Å; I132-A135 PolarHBondContact O-N 3.46Å; A135-R137 PolarHBondContact O-N 2.88Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 2.88Å; A135-S139 PolarHBondContact O-N 3.19Å; A135-S139 PolarHBondContact O-OG 3.13Å
136H91.4Very high84.4Confident134 Ų13493.2 Ų93.262%0.6252%0.518SS*.Hα-helixtrans-59.7-43.4175.9179.8-83.7000112.3I132 Y134 I138 S139 A140I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.39Å; Y134-H136 PolarHBondContact O-N 2.84Å; H136-I138 PolarHBondContact O-N 3.49Å; H136-S139 PolarHBondContact O-N 2.95Å; H136-A140 VanDerWaalsContact O-CB 3.28Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.42Å
137R88.4Confident83.7Confident166 Ų16689.4 Ų89.463%0.62650%0.501SS*.Hα-helixtrans-58.4-47.4174.3-76174.263-167-2.3111.5K133 Y134 A135 S139 A140 S141K133-R137 WeakPolarHBondContact O-CG 3.48Å; K133-R137 PolarHBondContact O-N 2.85Å; Y134-R137 WeakPolarHBondContact O-CB 3.49Å; Y134-R137 PolarHBondContact O-N 3.36Å; A135-R137 PolarHBondContact O-N 2.88Å; R137-S139 PolarHBondContact O-N 2.99Å; R137-A140 PolarHBondContact O-N 3.27Å; R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 3.17Å; R137-S141 PolarHBondContact O-OG 3.5Å; R137-S141 VanDerWaalsContact O-OG 3.13Å
138I85.7Confident83Confident61 Ų6196.4 Ų96.431%0.31353%0.533SS..Hα-helixtrans-59.6-46.2178-78.6-179.9000111.4Y134 A135 H136 V144Y134-I138 HydrophobicContact CD1-CD1 3.72Å; Y134-I138 HydrophobicContact CE1-CD1 3.31Å; Y134-I138 HydrophobicContact CE1-CG1 4.25Å; Y134-I138 WeakPolarHBondContact O-CB 3.23Å; Y134-I138 WeakPolarHBondContact O-CG1 3.22Å; Y134-I138 PolarHBondContact O-N 3.37Å; A135-I138 WeakPolarHBondContact O-CB 3.39Å; A135-I138 PolarHBondContact O-N 2.88Å; H136-I138 PolarHBondContact O-N 3.49Å; I138-V144 HydrophobicContact CG2-CG2 3.14Å
139S83.7Confident82.6Confident86 Ų8697.3 Ų97.360%0.60153%0.531SS*.Hα-helixtrans-65-41.5177.2-610000112.8A135 H136 R137A135-S139 PolarHBondContact O-N 3.19Å; A135-S139 PolarHBondContact O-OG 3.13Å; H136-S139 PolarHBondContact O-N 2.95Å; R137-S139 PolarHBondContact O-N 2.99Å
140A80.9Confident82.2Confident64 Ų6495 Ų9553%0.52952%0.517SS..Hα-helixtrans-70.9-30.4-179.800000113.2H136 R137 N142H136-A140 VanDerWaalsContact O-CB 3.28Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.42Å; R137-A140 PolarHBondContact O-N 3.27Å; A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.43Å
141S74.8Confident81.6Confident81 Ų8193.8 Ų93.857%0.56652%0.517SS*.THydrogen-bonded Turntrans-81.81.8-179.2-660000114.9R137 A143R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 3.17Å; R137-S141 PolarHBondContact O-OG 3.5Å; R137-S141 VanDerWaalsContact O-OG 3.13Å; S141-A143 PolarHBondContact O-N 2.98Å
142N66.3Low80.8Confident77 Ų7793 Ų9341%0.41252%0.518SS..THydrogen-bonded Turntrans52.818.4-175.5-59.5-64.2000114.8A140 V144 R156A140-N142 VanDerWaalsContact C-N 3.31Å; A140-N142 PolarHBondContact O-N 3.43Å; N142-V144 PolarHBondContact O-N 3.41Å; N142-R156 HydrophobicContact CB-CB 4.48Å
143A65.2Low79.8Confident56 Ų5689.9 Ų89.946%0.46352%0.515SS..  trans-89.45.1-166.300000114.7S141S141-A143 PolarHBondContact O-N 2.98Å
144V68.1Low79Confident99 Ų9985.5 Ų85.560%0.650%0.497SS*.SBendtrans-83.7-49.9-176.1-177.40000111.9I138 N142I138-V144 HydrophobicContact CG2-CG2 3.14Å; N142-V144 PolarHBondContact O-N 3.41Å
145C70.8Confident78.1Confident87 Ų8783.7 Ų83.759%0.58850%0.503SS*.  trans-157.6152-176.757.70000109.6
146A70.9Confident77.2Confident45 Ų4585.7 Ų85.737%0.37250%0.501SS..  trans-67133.8167.700000109W150 P158A146-W150 HydrophobicContact CB-CB 3.9Å; A146-W150 HydrophobicContact CB-CD2 4.29Å; A146-W150 HydrophobicContact CB-CG 4.01Å; A146-P158 HydrophobicContact CB-CG 3.96Å
147P74.4Confident76.6Confident35 Ų3582.2 Ų82.223%0.22748%0.482CS..  trans-50.8149166.1-28.534.4000112.2N149 W150 R156P147-N149 WeakPolarHBondContact CB-OD1 3.36Å; P147-N149 PolarHBondContact O-N 3.35Å; P147-W150 HydrophobicContact CB-CB 4.33Å; P147-W150 WeakPolarHBondContact O-CB 3.46Å; P147-W150 PolarHBondContact O-N 2.67Å; P147-R156 WeakPolarHBondContact CD-O 3.38Å; P147-R156 HydrophobicContact CG-CB 4.14Å
148L79Confident76.1Confident197 Ų19776.3 Ų76.3100%1.03147%0.465SS*.THydrogen-bonded Turntrans-57.5-20.3176.9-75.5164.8000113.9
149N83.6Confident75.8Confident109 Ų10979.2 Ų79.258%0.58347%0.473SS*.THydrogen-bonded Turntrans-108.417176.174.9-28.7000113.6P147 R156P147-N149 WeakPolarHBondContact CB-OD1 3.36Å; P147-N149 PolarHBondContact O-N 3.35Å; N149-R156 PolarHBondContact OD1-NH2 3.39Å
150W83.3Confident75.8Confident64 Ų6479.1 Ų79.124%0.24247%0.47CS..  trans-67.6135.7178.2-177.284000110.9A146 P147 D154 R156 R157 Y159A146-W150 HydrophobicContact CB-CB 3.9Å; A146-W150 HydrophobicContact CB-CD2 4.29Å; A146-W150 HydrophobicContact CB-CG 4.01Å; P147-W150 HydrophobicContact CB-CB 4.33Å; P147-W150 WeakPolarHBondContact O-CB 3.46Å; P147-W150 PolarHBondContact O-N 2.67Å; W150-D154 HydrophobicContact CG-CB 4.41Å; W150-D154 PolarHBondContact NE1-O 3.11Å; W150-R156 VanDerWaalsContact CD1-O 3.28Å; W150-R157 HydrophobicContact CZ2-CB 4.02Å; W150-Y159 HydrophobicContact CH2-CE1 4.05Å; W150-Y159 VanDerWaalsContact CH2-OH 3.28Å; W150-Y159 WeakPolarHBondContact CH2-OH 3.3Å; W150-Y159 HydrophobicContact CZ2-CE1 4.03Å; W150-Y159 WeakPolarHBondContact CZ2-OH 3.17Å
151V80.9Confident75.8Confident85 Ų8577.6 Ų77.652%0.51546%0.455SS..  trans-133.1156.4177-66.70000109.5G153 D154V151-G153 PolarHBondContact O-N 2.89Å; V151-D154 HydrophobicContact CG2-CB 4.4Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.37Å; V151-D154 PolarHBondContact O-N 3.14Å
152P76.2Confident76.1Confident79 Ų7977.3 Ų77.351%0.51345%0.447SS..THydrogen-bonded Turntrans-51.1127.4168.7-26.335.7000110.8
153G74.6Confident76.9Confident53 Ų5379.7 Ų79.755%0.54646%0.459SS..THydrogen-bonded Turntrans98.4-14.1-172.700000115.1V151 P155V151-G153 PolarHBondContact O-N 2.89Å; G153-P155 WeakPolarHBondContact O-CD 3.18Å
154D75.9Confident77.9Confident24 Ų2481.5 Ų81.513%0.12846%0.458CS..  trans-70.9122.8173.6-175-20.4000110.7W150 V151 R156W150-D154 HydrophobicContact CG-CB 4.41Å; W150-D154 PolarHBondContact NE1-O 3.11Å; V151-D154 HydrophobicContact CG2-CB 4.4Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.37Å; V151-D154 PolarHBondContact O-N 3.14Å; D154-R156 PolarHBondContact O-N 3Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 VanDerWaalsContact OD1-CB 3.3Å; D154-R156 WeakPolarHBondContact OD1-CB 3.29Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 PolarHBondContact OD1-N 2.85Å; D154-R156 IonicContact OD1-NE 2.73Å; D154-R156 PolarHBondContact OD1-NE 3.02Å; D154-R156 VanDerWaalsContact OD1-NE 3.11Å; D154-R156 IonicContact OD2-CZ 2.78Å; D154-R156 VanDerWaalsContact OD2-CZ 3.31Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 3.1Å; D154-R156 VanDerWaalsContact OD2-NE 3.14Å; D154-R156 IonicContact OD2-NH2 3.12Å; D154-R156 PolarHBondContact OD2-NH2 2.72Å
155P74.1Confident78.7Confident107 Ų10782.4 Ų82.470%0.69546%0.457SS*.SBendtrans-56.8-23.7177.4-26.636000114.6G153 R157G153-P155 WeakPolarHBondContact O-CD 3.18Å; P155-R157 PolarHBondContact O-N 2.87Å
156R74.2Confident79.3Confident90 Ų9084.6 Ų84.634%0.3445%0.453SS..  trans-82.445.8-178.6-53.1171.9-61.3152.39.2112.3N142 P147 N149 W150 D154N142-R156 HydrophobicContact CB-CB 4.48Å; P147-R156 WeakPolarHBondContact CD-O 3.38Å; P147-R156 HydrophobicContact CG-CB 4.14Å; N149-R156 PolarHBondContact OD1-NH2 3.39Å; W150-R156 VanDerWaalsContact CD1-O 3.28Å; D154-R156 PolarHBondContact O-N 3Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 VanDerWaalsContact OD1-CB 3.3Å; D154-R156 WeakPolarHBondContact OD1-CB 3.29Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 PolarHBondContact OD1-N 2.85Å; D154-R156 IonicContact OD1-NE 2.73Å; D154-R156 PolarHBondContact OD1-NE 3.02Å; D154-R156 VanDerWaalsContact OD1-NE 3.11Å; D154-R156 IonicContact OD2-CZ 2.78Å; D154-R156 VanDerWaalsContact OD2-CZ 3.31Å; D154-R156 IonicContact OD2-NE 2.75Å; D154-R156 PolarHBondContact OD2-NE 3.1Å; D154-R156 VanDerWaalsContact OD2-NE 3.14Å; D154-R156 IonicContact OD2-NH2 3.12Å; D154-R156 PolarHBondContact OD2-NH2 2.72Å
157R77.9Confident79.9Confident61 Ų6185.9 Ų85.923%0.2346%0.459CS..  trans-79.9145.4177.662.7178.2-178.4-80.1-6.9111.4W150 P155 Y159 E164W150-R157 HydrophobicContact CZ2-CB 4.02Å; P155-R157 PolarHBondContact O-N 2.87Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 HydrophobicContact CB-CE1 4.28Å; R157-Y159 WeakPolarHBondContact CD-O 3.48Å; R157-Y159 WeakPolarHBondContact CG-O 3.26Å; R157-Y159 PolarHBondContact NE-O 3.09Å; R157-Y159 VanDerWaalsContact NE-O 3.09Å; R157-Y159 PolarHBondContact O-N 2.84Å; R157-E164 IonicContact CZ-OE2 2.65Å; R157-E164 IonicContact NE-OE2 3.31Å; R157-E164 IonicContact NH2-OE1 3.79Å; R157-E164 PolarHBondContact NH2-OE1 2.74Å; R157-E164 IonicContact NH2-OE2 2.6Å; R157-E164 PolarHBondContact NH2-OE2 2.75Å
158P78Confident80.4Confident42 Ų4285.5 Ų85.527%0.27346%0.462SS..SBendtrans-85.911.8179.735.4-36.6000114.3A146A146-P158 HydrophobicContact CB-CG 3.96Å
159Y80.1Confident80.7Confident123 Ų12384 Ų8448%0.48245%0.451SS..SBendtrans-142.1153.2-175.258.3-94.4000112.8W150 R157W150-Y159 HydrophobicContact CH2-CE1 4.05Å; W150-Y159 VanDerWaalsContact CH2-OH 3.28Å; W150-Y159 WeakPolarHBondContact CH2-OH 3.3Å; W150-Y159 HydrophobicContact CZ2-CE1 4.03Å; W150-Y159 WeakPolarHBondContact CZ2-OH 3.17Å; R157-Y159 VanDerWaalsContact C-N 3.28Å; R157-Y159 HydrophobicContact CB-CE1 4.28Å; R157-Y159 WeakPolarHBondContact CD-O 3.48Å; R157-Y159 WeakPolarHBondContact CG-O 3.26Å; R157-Y159 PolarHBondContact NE-O 3.09Å; R157-Y159 VanDerWaalsContact NE-O 3.09Å; R157-Y159 PolarHBondContact O-N 2.84Å
160P81.8Confident80.8Confident83 Ų8385.8 Ų85.854%0.53946%0.46SS..  trans-63.2144.2175.7-21.734.1000113M165P160-M165 HydrophobicContact CB-CG 3.84Å; P160-M165 HydrophobicContact CB-SD 4.35Å
161T81.3Confident80.7Confident33 Ų3383.1 Ų83.120%0.20245%0.452CS..  trans-74.3157.2166.746.20000112.1L163 E164 M165T161-L163 PolarHBondContact O-N 3.25Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 3.22Å; T161-E164 VanDerWaalsContact O-N 3.12Å; T161-E164 WeakPolarHBondContact OG1-CB 3.37Å; T161-E164 VanDerWaalsContact OG1-CG 3.26Å; T161-E164 WeakPolarHBondContact OG1-CG 3.23Å; T161-E164 PolarHBondContact OG1-N 2.86Å; T161-E164 PolarHBondContact OG1-OE2 3.29Å; T161-M165 WeakPolarHBondContact O-CG 3.36Å; T161-M165 PolarHBondContact O-N 3.12Å
162D82.6Confident80.6Confident74 Ų7485.2 Ų85.240%0.39646%0.456SS..Hα-helixtrans-46.3-41.3163.8-89-3.9000113.7R166D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 PolarHBondContact O-NE 3Å; D162-R166 IonicContact OD1-NH2 2.78Å; D162-R166 IonicContact OD2-CZ 2.67Å; D162-R166 IonicContact OD2-NH2 3.14Å; D162-R166 PolarHBondContact OD2-NH2 3.08Å
163L82.9Confident80.8Confident128 Ų12888.9 Ų88.967%0.6747%0.469SS*.Hα-helixtrans-68.3-46.5179.2-176.862.5000110.9T161 M165 R166 S167T161-L163 PolarHBondContact O-N 3.25Å; L163-M165 VanDerWaalsContact C-N 3.34Å; L163-M165 PolarHBondContact O-N 2.83Å; L163-R166 PolarHBondContact O-N 2.91Å; L163-S167 VanDerWaalsContact O-CB 3.23Å; L163-S167 WeakPolarHBondContact O-CB 3.43Å; L163-S167 PolarHBondContact O-N 3.26Å; L163-S167 PolarHBondContact O-OG 3.47Å
164E84.7Confident81Confident94 Ų9489.2 Ų89.244%0.43947%0.466SS..Hα-helixtrans-59.5-44.4174.9-74158.615800111.3R157 T161 S167 G168R157-E164 IonicContact CZ-OE2 2.65Å; R157-E164 IonicContact NE-OE2 3.31Å; R157-E164 IonicContact NH2-OE1 3.79Å; R157-E164 PolarHBondContact NH2-OE1 2.74Å; R157-E164 IonicContact NH2-OE2 2.6Å; R157-E164 PolarHBondContact NH2-OE2 2.75Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 3.22Å; T161-E164 VanDerWaalsContact O-N 3.12Å; T161-E164 WeakPolarHBondContact OG1-CB 3.37Å; T161-E164 VanDerWaalsContact OG1-CG 3.26Å; T161-E164 WeakPolarHBondContact OG1-CG 3.23Å; T161-E164 PolarHBondContact OG1-N 2.86Å; T161-E164 PolarHBondContact OG1-OE2 3.29Å; E164-S167 WeakPolarHBondContact CA-OG 3.28Å; E164-S167 CarbonylContact O-C 3.59Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.13Å; E164-G168 PolarHBondContact O-N 2.82Å
165M86.1Confident80.6Confident118 Ų11895 Ų9558%0.58150%0.497SS*.Hα-helixtrans-63.7-44.4178-70.4177.16500112.6P160 T161 L163 S167 G168P160-M165 HydrophobicContact CB-CG 3.84Å; P160-M165 HydrophobicContact CB-SD 4.35Å; T161-M165 WeakPolarHBondContact O-CG 3.36Å; T161-M165 PolarHBondContact O-N 3.12Å; L163-M165 VanDerWaalsContact C-N 3.34Å; L163-M165 PolarHBondContact O-N 2.83Å; M165-S167 VanDerWaalsContact C-N 3.35Å; M165-G168 PolarHBondContact O-N 3.45Å
166R83.8Confident80Confident133 Ų13395 Ų9550%0.50249%0.49SS..Hα-helixtrans-67.8-33.6175.1-70.3175-130.1-80.23.6112.1D162 L163 G168 G171D162-R166 WeakPolarHBondContact O-CB 3.45Å; D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 PolarHBondContact O-N 3.38Å; D162-R166 PolarHBondContact O-NE 3Å; D162-R166 IonicContact OD1-NH2 2.78Å; D162-R166 IonicContact OD2-CZ 2.67Å; D162-R166 IonicContact OD2-NH2 3.14Å; D162-R166 PolarHBondContact OD2-NH2 3.08Å; L163-R166 PolarHBondContact O-N 2.91Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 3.45Å; R166-G171 WeakPolarHBondContact O-CA 3.29Å
167S83.3Confident79.2Confident71 Ų7195.4 Ų95.450%0.49751%0.507SS..Hα-helixtrans-76.3-12.2175.677.20000113.9L163 E164 M165 H172L163-S167 VanDerWaalsContact O-CB 3.23Å; L163-S167 WeakPolarHBondContact O-CB 3.43Å; L163-S167 PolarHBondContact O-N 3.26Å; L163-S167 PolarHBondContact O-OG 3.47Å; E164-S167 WeakPolarHBondContact CA-OG 3.28Å; E164-S167 CarbonylContact O-C 3.59Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.13Å; M165-S167 VanDerWaalsContact C-N 3.35Å; S167-H172 PolarHBondContact O-CE1 3.33Å; S167-H172 PolarHBondContact O-ND1 3.32Å
168G84.6Confident78.2Confident28 Ų2898.2 Ų98.229%0.28954%0.536SS..SBendtrans-67.4167.217400000113.2E164 M165 R166 L170 G171 H172E164-G168 PolarHBondContact O-N 2.82Å; M165-G168 PolarHBondContact O-N 3.45Å; R166-G168 VanDerWaalsContact C-N 3.28Å; R166-G168 PolarHBondContact O-N 3.45Å; G168-L170 PolarHBondContact O-N 3.21Å; G168-G171 PolarHBondContact O-N 3.3Å; G168-G171 VanDerWaalsContact O-N 3.13Å; G168-H172 PolarHBondContact O-N 3.24Å; G168-H172 PolarHBondContact O-ND1 3.13Å
169M84.4Confident76.8Confident165 Ų165103.6 Ų103.681%0.81356%0.563SS**Hα-helixtrans-56.5-37.8178-63.1-162.7-59.700112.4G171 H172 M173M169-G171 PolarHBondContact O-N 3.49Å; M169-H172 PolarHBondContact O-N 2.95Å; M169-M173 VanDerWaalsContact O-CG 3.29Å; M169-M173 WeakPolarHBondContact O-CG 3.32Å; M169-M173 PolarHBondContact O-N 2.93Å
170L85.3Confident75.3Confident146 Ų146100.7 Ų100.776%0.76457%0.57SS**Hα-helixtrans-63.7-38.2179.2-173.661.9000112.5G168 M173 A174G168-L170 PolarHBondContact O-N 3.21Å; L170-M173 PolarHBondContact O-N 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.2Å; L170-A174 PolarHBondContact O-N 3.44Å; L170-A174 VanDerWaalsContact O-N 3.13Å
171G82.3Confident73.6Confident8 Ų8105.1 Ų105.18%0.08259%0.586CS.*Hα-helixtrans-69.3-38.1176.400000112.9R166 G168 M169 A174R166-G171 WeakPolarHBondContact O-CA 3.29Å; G168-G171 PolarHBondContact O-N 3.3Å; G168-G171 VanDerWaalsContact O-N 3.13Å; M169-G171 PolarHBondContact O-N 3.49Å; G171-A174 PolarHBondContact O-N 3.1Å
172H78.8Confident72Confident129 Ų129111.6 Ų111.660%0.59762%0.619SS**Hα-helixtrans-62.9-46172.4-74.378.8000112.1S167 G168 M169 A174 N175S167-H172 PolarHBondContact O-CE1 3.33Å; S167-H172 PolarHBondContact O-ND1 3.32Å; G168-H172 PolarHBondContact O-N 3.24Å; G168-H172 PolarHBondContact O-ND1 3.13Å; M169-H172 PolarHBondContact O-N 2.95Å; H172-A174 PolarHBondContact O-N 3.1Å; H172-N175 PolarHBondContact O-N 3.3Å; H172-N175 VanDerWaalsContact O-N 3.1Å
173M80.6Confident70.2Confident157 Ų157110.9 Ų110.977%0.77363%0.629SS**Hα-helixtrans-62.9-29.1177.4-69.5176.979.300112.7M169 L170 N175M169-M173 VanDerWaalsContact O-CG 3.29Å; M169-M173 WeakPolarHBondContact O-CG 3.32Å; M169-M173 PolarHBondContact O-N 2.93Å; L170-M173 PolarHBondContact O-N 3.23Å; M173-N175 VanDerWaalsContact C-N 3.28Å; M173-N175 PolarHBondContact O-N 3.12Å
174A79.5Confident68.2Low60 Ų60110.1 Ų110.150%0.49662%0.622SS.*THydrogen-bonded Turntrans-78.6-2.8176.700000114.5L170 G171 H172 L176L170-A174 WeakPolarHBondContact O-CB 3.2Å; L170-A174 PolarHBondContact O-N 3.44Å; L170-A174 VanDerWaalsContact O-N 3.13Å; G171-A174 PolarHBondContact O-N 3.1Å; H172-A174 PolarHBondContact O-N 3.1Å; A174-L176 HydrophobicContact CB-CD1 4.07Å; A174-L176 HydrophobicContact CB-CG 4Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-L176 VanDerWaalsContact O-N 3.12Å
175N66.8Low66.3Low146 Ų146109.4 Ų109.478%0.78162%0.621SS**THydrogen-bonded Turntrans49.832.8-174.7-86.5-68.7000114H172 M173 S177H172-N175 PolarHBondContact O-N 3.3Å; H172-N175 VanDerWaalsContact O-N 3.1Å; M173-N175 VanDerWaalsContact C-N 3.28Å; M173-N175 PolarHBondContact O-N 3.12Å; N175-S177 PolarHBondContact O-N 3.29Å
176L62Low64.6Low105 Ų105109.1 Ų109.155%0.5563%0.628SS.*  trans-69.4104.9173.2-70.6167000108.3A174 S178A174-L176 HydrophobicContact CB-CD1 4.07Å; A174-L176 HydrophobicContact CB-CG 4Å; A174-L176 PolarHBondContact O-N 3.44Å; A174-L176 VanDerWaalsContact O-N 3.12Å; L176-S178 PolarHBondContact O-N 2.91Å; L176-S178 VanDerWaalsContact O-N 3.1Å
177S55.8Low62.9Low99 Ų99103.7 Ų103.769%0.69261%0.613SS**  trans-53.5118-177.5-178.10000111.1N175 N179N175-S177 PolarHBondContact O-N 3.29Å; S177-N179 PolarHBondContact O-N 3.35Å; S177-N179 PolarHBondContact OG-N 3Å
178S56.8Low60.9Low121 Ų121103.6 Ų103.685%0.84661%0.607SS**SBendtrans-67.73.6176.3-172.40000113.4L176L176-S178 PolarHBondContact O-N 2.91Å; L176-S178 VanDerWaalsContact O-N 3.1Å
179N50.5Low59Low154 Ų154104 Ų10482%0.82461%0.607SS**  trans-108.235.2-163.3-142.899.4000113.2S177S177-N179 PolarHBondContact O-N 3.35Å; S177-N179 PolarHBondContact OG-N 3Å
180G46.9Very low57.1Low62 Ų62102.6 Ų102.664%0.63960%0.603SS**SBendtrans-137.9113.1-178.200000113.1
181M47.8Very low55.2Low177 Ų17799.9 Ų99.987%0.87260%0.601SS**  trans69.6129.9167.9-110.156.5151.800119.3G183M181-G183 PolarHBondContact O-N 2.87Å
182N46.8Very low53.5Low169 Ų169102.7 Ų102.790%0.90462%0.624SS**  trans-59.578.3143.6-73.7-33000108.5H184N182-H184 PolarHBondContact O-N 2.81Å
183G43.7Very low51.8Low59 Ų59100 Ų10061%0.60863%0.631SS**  trans-75.471.6-178.200000111.5M181 L185M181-G183 PolarHBondContact O-N 2.87Å; G183-L185 PolarHBondContact O-N 2.78Å
184H42.8Very low49.8Very low111 Ų111103.1 Ų103.151%0.51463%0.634SS.*  trans-51.4106.1167.2-16962.2000108.8N182 D188 A189N182-H184 PolarHBondContact O-N 2.81Å; H184-D188 VanDerWaalsContact CE1-CB 3.49Å; H184-D188 WeakPolarHBondContact CE1-CB 3.28Å; H184-D188 PolarHBondContact CE1-O 3.18Å; H184-D188 VanDerWaalsContact CE1-O 3.3Å; H184-D188 VanDerWaalsContact ND1-CB 3.28Å; H184-D188 WeakPolarHBondContact ND1-CB 3.49Å; H184-A189 PolarHBondContact CE1-N 3.26Å; H184-A189 VanDerWaalsContact CE1-N 3.32Å; H184-A189 WeakPolarHBondContact NE2-CA 3.46Å; H184-A189 WeakPolarHBondContact NE2-CB 3.13Å; H184-A189 PolarHBondContact NE2-N 3.26Å
185L44.9Very low47.7Very low79 Ų79108.2 Ų108.241%0.41465%0.652SS.*  trans-62.5149.1175.7-69.7170.9000108.4G183 G187 D188G183-L185 PolarHBondContact O-N 2.78Å; L185-G187 PolarHBondContact O-N 3.47Å; L185-D188 PolarHBondContact O-N 3.07Å
186P48.3Very low46.3Very low113 Ų113107 Ų10773%0.73465%0.652SS**THydrogen-bonded Turntrans-57-15.4-177.8-26.535.6000115.1
187G48.3Very low45.4Very low18 Ų18109.2 Ų109.219%0.18667%0.665CS.*THydrogen-bonded Turntrans-78.6-33.8172.300000115L185 A189 L190L185-G187 PolarHBondContact O-N 3.47Å; G187-A189 PolarHBondContact O-N 2.99Å; G187-L190 PolarHBondContact O-N 3.03Å
188D42.8Very low44.9Very low69 Ų69110 Ų11037%0.36967%0.665SS.*Hα-helixtrans-72.1-21.5-178.2-75.8-14.3000112.1H184 L185 L190 A191H184-D188 VanDerWaalsContact CE1-CB 3.49Å; H184-D188 WeakPolarHBondContact CE1-CB 3.28Å; H184-D188 PolarHBondContact CE1-O 3.18Å; H184-D188 VanDerWaalsContact CE1-O 3.3Å; H184-D188 VanDerWaalsContact ND1-CB 3.28Å; H184-D188 WeakPolarHBondContact ND1-CB 3.49Å; L185-D188 PolarHBondContact O-N 3.07Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.43Å; D188-A191 PolarHBondContact O-N 3.32Å
189A43.9Very low44Very low36 Ų36112 Ų11230%0.29867%0.665SS.*Hα-helixtrans-64.2-32.5175.200000112.5H184 G187 A191 A192H184-A189 PolarHBondContact CE1-N 3.26Å; H184-A189 VanDerWaalsContact CE1-N 3.32Å; H184-A189 WeakPolarHBondContact NE2-CA 3.46Å; H184-A189 WeakPolarHBondContact NE2-CB 3.13Å; H184-A189 PolarHBondContact NE2-N 3.26Å; G187-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.27Å; A189-A191 PolarHBondContact O-N 3.3Å; A189-A192 PolarHBondContact O-N 3.41Å
190L44.1Very low43.7Very low137 Ų137110.8 Ų110.872%0.71766%0.664SS**Hα-helixtrans-69.9-27.6179.3-55.8177.8000111.6G187 D188 A192G187-L190 PolarHBondContact O-N 3.03Å; D188-L190 VanDerWaalsContact C-N 3.26Å; D188-L190 PolarHBondContact O-N 3.43Å; L190-A192 VanDerWaalsContact C-N 3.32Å
191A46.5Very low43.5Very low89 Ų89112 Ų11274%0.73666%0.66SS**Hα-helixtrans-75.2-17.6174.200000113.6D188 A189D188-A191 PolarHBondContact O-N 3.32Å; A189-A191 VanDerWaalsContact C-N 3.27Å; A189-A191 PolarHBondContact O-N 3.3Å
192A45.1Very low43Very low66 Ų66109.8 Ų109.855%0.54565%0.648SS.*THydrogen-bonded Turntrans-87.92.5-177.100000114.5A189 L190 R194A189-A192 PolarHBondContact O-N 3.41Å; L190-A192 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 3.27Å; A192-R194 VanDerWaalsContact O-N 3.07Å
193G43Very low43.3Very low73 Ų73109.1 Ų109.175%0.75363%0.633SS**THydrogen-bonded Turntrans65.810.7172.500000116
194R39Very low43.3Very low222 Ų222111.9 Ų111.984%0.83864%0.641SS**  trans-103.4104.4174.6-81.6-166.6171.7-139.10.3110.9A192 P196A192-R194 PolarHBondContact O-N 3.27Å; A192-R194 VanDerWaalsContact O-N 3.07Å; R194-P196 WeakPolarHBondContact O-CD 3.47Å
195L36Very low43.7Very low168 Ų168118 Ų11888%0.8866%0.659SS**PPolyproline II helixtrans-73.8135.7161.9-62174.8000110
196P37.6Very low43.6Very low119 Ų119120.5 Ų120.577%0.77367%0.669SS**PPolyproline II helixtrans-102.7140.7132.814.23.1000109.2R194R194-P196 WeakPolarHBondContact O-CD 3.47Å
197D41.7Very low43.1Very low153 Ų153121.2 Ų121.282%0.81867%0.673SS**PPolyproline II helixtrans-70.1146.6176.9-147.1-15.6000110.9
198V45.8Very low42.8Very low115 Ų115125.1 Ų125.170%0.69770%0.698SS**  trans53.2105172.5-172.20000116.9
199L39Very low43Very low164 Ų164128.7 Ų128.786%0.85972%0.717SS**  -176.7123.9120.8-95.5179.3000109.8
200T43.6Very low42.6Very low128 Ų128134.2 Ų134.279%0.78575%0.747SS**  trans-64.4136.4179.7-44.40000111.3H202T200-H202 PolarHBondContact O-N 2.9Å
201P42.5Very low42.3Very low88 Ų88132.4 Ų132.457%0.57175%0.746SS**  trans-68.2103.8176.6-17.230.7000111.4Y203P201-Y203 HydrophobicContact CB-CE2 4.25Å; P201-Y203 WeakPolarHBondContact O-CD2 3.44Å; P201-Y203 PolarHBondContact O-N 2.89Å
202H37.2Very low41.6Very low130 Ų130135.3 Ų135.360%0.60275%0.754SS**  trans-78.2105.4173.9-169.6-61000109.9T200 Q206T200-H202 PolarHBondContact O-N 2.9Å; H202-Q206 PolarHBondContact CE1-O 3.02Å
203Y52.3Low41Very low155 Ų155135.4 Ų135.461%0.60876%0.761SS**  trans-74.1144.9173.9-66.7-82.6000110.8P201 W205 Q206P201-Y203 HydrophobicContact CB-CE2 4.25Å; P201-Y203 WeakPolarHBondContact O-CD2 3.44Å; P201-Y203 PolarHBondContact O-N 2.89Å; Y203-W205 PolarHBondContact O-N 3.46Å; Y203-Q206 PolarHBondContact O-N 3.35Å
204P45.3Very low40.4Very low117 Ų117140.7 Ų140.776%0.7677%0.768SS**THydrogen-bonded Turntrans-61.8-4.6-176.1-26.635.8000117
205W49.7Very low40.3Very low240 Ų240137.5 Ų137.591%0.90977%0.767SS**THydrogen-bonded Turntrans-106.52.3-173.4-52.398.9000114Y203Y203-W205 PolarHBondContact O-N 3.46Å
206Q42.8Very low40.7Very low131 Ų131135.2 Ų135.261%0.61276%0.762SS**PPolyproline II helixtrans-96.6131.8175.6-72.3-164.5-47.600111.9H202 Y203H202-Q206 PolarHBondContact CE1-O 3.02Å; Y203-Q206 PolarHBondContact O-N 3.35Å
207P39.2Very low41Very low127 Ų127135 Ų13583%0.82576%0.761SS**PPolyproline II helixtrans-84.5145.2171.134.2-32.7000111.4
208S40.8Very low40.5Very low101 Ų101136.7 Ų136.771%0.70676%0.764SS**PPolyproline II helixtrans-94.3120.6-172.155.20000114.5
209D47.8Very low40Very low144 Ų144140.4 Ų140.477%0.7777%0.773SS**  trans29.1136.5151.6-58.5-25.6000123.1
210V36Very low39.6Very low152 Ų152136.4 Ų136.492%0.92177%0.771SS**  -147.6154.8121.5-81.90000110.9
211S36.3Very low39.1Very low99 Ų99137.4 Ų137.469%0.69277%0.772SS**  trans-123.6167.7-155.5-47.50000115.9
212V33.4Very low38.5Very low149 Ų149140.7 Ų140.790%0.90379%0.785SS**  trans80.9117.6153.3175.70000119.9
213G31Very low38.2Very low68 Ų68142.9 Ų142.970%0.70179%0.793SS**  127.2105.1118.400000119.5
214M32.2Very low37.2Very low184 Ų184139 Ų13991%0.90680%0.801SS**  trans-168.5151.2130.1-163.954.785.900111.5
215L35.8Very low36.8Very low156 Ų156140.5 Ų140.582%0.81780%0.801SS**  trans-87156.9179.4-68.5161.6000113.1
216P43.7Very low36Very low119 Ų119137.2 Ų137.277%0.77380%0.796SS**  trans-97.1161.1173.738.3-33.9000113.1
217P44.5Very low36.5Very low116 Ų116135.7 Ų135.775%0.75380%0.797SS**  trans-129.6143.8155.535.5-22.6000115.5
218H31.3Very low36.7Very low188 Ų188135.9 Ų135.987%0.8780%0.799SS**  trans75.2112.5152.4-93.3-78.8000122.8
219H35.3Very low36.3Very low192 Ų192134.2 Ų134.289%0.88980%0.797SS**  trans-78.3150.6145-76.9-85.2000111.1
220G31.1Very low35.7Very low80 Ų80136.2 Ų136.283%0.82580%0.802SS**  trans-151.3129.4164.600000108.4
221N33Very low35.5Very low150 Ų150134.7 Ų134.780%0.80279%0.789SS**  trans-108.3136.3-169.2-158.576000109.2
222D29.1Very low35.7Very low157 Ų157138.4 Ų138.484%0.8479%0.792SS**  trans-152.9156.2152.2-152.69.5000113.6
223F32.5Very low36Very low175 Ų175139.1 Ų139.177%0.76879%0.785SS**  trans-96.8152.1-169.4-110.4-114.1000112.7
224G30.8Very low36.4Very low75 Ų75143.7 Ų143.777%0.77379%0.794SS**  trans-162.7121.4172.400000115.3
225L37.1Very low36.8Very low148 Ų148143 Ų14378%0.77579%0.789SS**  trans-128.6151.6178.8-65.4173.1000107.9
226E32.8Very low37.3Very low170 Ų170143.3 Ų143.379%0.79479%0.791SS**  cis-148.4-165.23.8-126.7-159.482.100108.7
227P52.8Low37.5Very low99 Ų99145 Ų14564%0.64379%0.793SS**  trans-93.7-171-163.842.9-39.3000113.5
228P42.9Very low37.9Very low132 Ų132146.5 Ų146.586%0.85780%0.8SS**  -144.2162.788.237.6-21000114.8
229G33.8Very low38.5Very low65 Ų65146.7 Ų146.767%0.6780%0.802SS**  trans-110.7162.5-176.700000115.5
230H33.6Very low39.2Very low187 Ų187141.4 Ų141.487%0.86679%0.791SS**  trans-171.9155.2166.4-101.524.5000106.6
231N32.8Very low39.7Very low120 Ų120146.5 Ų146.564%0.64280%0.796SS**  cis-169.5141.5-23.5-16910.3000106.2
232K40.7Very low40.3Very low177 Ų177144.9 Ų144.977%0.7780%0.796SS**  trans63.5-177158.7-124169.7-179.7-179.70118.8
233E38.4Very low41.4Very low163 Ų163143.5 Ų143.576%0.76279%0.793SS**  trans47.792168.753.3-13886.500119.2
234N40.2Very low42.4Very low164 Ų164141.8 Ų141.888%0.87779%0.792SS**  trans-122.665.5156.9-165105.4000108.8
235E41.4Very low43.1Very low170 Ų170144 Ų14479%0.79480%0.796SS**  trans-98.4150.2163.5-74.1-178.8142.400108.9
236D46.2Very low43.2Very low163 Ų163142.1 Ų142.187%0.87280%0.795SS**  trans5287.1165.7-58.1-25.8000118.6
237D47.9Very low43.8Very low153 Ų153140 Ų14082%0.81880%0.799SS**  trans-139.592.9160.8-154.75.4000110.6
238V52.6Low43.3Very low148 Ų148141 Ų14190%0.89781%0.808SS**  trans-178.165.7143.4-87.40000110.6
239E44.7Very low43.7Very low193 Ų193140.1 Ų140.190%0.90281%0.806SS**  trans-90.6144.5159.5-84.9-157.5149.800111.7
240A48.3Very low44.4Very low81 Ų81142.5 Ų142.567%0.66981%0.812SS**  trans5199157.200000119.5
241M42.5Very low45.2Very low187 Ų187141.3 Ų141.392%0.92181%0.812SS**  trans-125.883.7144.4-77.8-70154.700109.7
242S45.6Very low46.2Very low115 Ų115141.2 Ų141.280%0.80482%0.82SS**  trans-79.3118.9162.5-66.90000108.6
243T52.8Low46.7Very low128 Ų128144.6 Ų144.679%0.78585%0.847SS**  trans-102.4110.4160.654.10000109
244D52.5Low47.1Very low140 Ų140143.7 Ų143.775%0.74985%0.851SS**  trans-63.5143.316756.8-51.4000111.5
245S45.6Very low47.4Very low121 Ų121142.6 Ų142.685%0.84685%0.85SS**  trans-156.286.6164.2-800000108.7
246S39.4Very low47.8Very low109 Ų109141.1 Ų141.176%0.76285%0.853SS**  trans-68.6142.2171.9-61.60000110.8
247S45.4Very low47.9Very low125 Ų125139.8 Ų139.887%0.87485%0.852SS**  trans-145.4106.1159.4-77.60000108.9
248S42Very low47.9Very low120 Ų120138.9 Ų138.984%0.83985%0.854SS**  trans-77.2141174.5-56.20000110.6
249S50.9Low47.6Very low114 Ų114138.3 Ų138.380%0.79785%0.851SS**  trans-138.4120151.342.70000108.4
250S49.1Very low47.8Very low114 Ų114134.4 Ų134.480%0.79785%0.847SS**  trans-82.4139.2173.3-53.40000109.5
251D50.4Low47.7Very low163 Ų163138.5 Ų138.587%0.87286%0.861SS**  trans-127.7117.4161.7-92.5-51.2000108.7
252S54.5Low48.1Very low117 Ų117134.5 Ų134.582%0.81886%0.856SS**  trans-149.299.7172-730000109.1
253D49.6Very low48.4Very low248 Ų248136.3 Ų136.3100%1.32686%0.861SS**  trans-161.90144.4-109.5-21000108.7

Retrieved 253 of 253 residues in 174.4 ms (Link to these results)