A0A087YGN9_POEFO Loading...

KxDL motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YGN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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
1M49.7Very low83.2Confident245 Ų245111.9 Ų111.9100%1.20765%0.653SS**  0118.60-62.4-178-144.300106.1
2V71.5Confident83.7Confident147 Ų147111.4 Ų111.489%0.89165%0.646SS**PPolyproline II helixtrans-78.6122.1-178.8179.20000107.6
3E73.5Confident84.1Confident172 Ų172117.3 Ų117.380%0.80465%0.651SS**PPolyproline II helixtrans-67.6134.9177.9-150.2172.9-166.300109.3T5E3-T5 PolarHBondContact O-N 3.42Å
4P80.7Confident84.4Confident95 Ų95116.6 Ų116.662%0.61764%0.642SS**PPolyproline II helixtrans-63.6128.7-177.5-6.315.1000110.5V9P4-V9 HydrophobicContact CB-CG2 3.88Å
5T92.4Very high84.5Confident98 Ų98117.7 Ų117.760%0.60165%0.646SS**PPolyproline II helixtrans-60.4144.1173.6-45.90000110.4E3 S7 G8 V9E3-T5 PolarHBondContact O-N 3.42Å; T5-S7 WeakPolarHBondContact CG2-OG 3.35Å; T5-S7 PolarHBondContact O-N 2.92Å; T5-S7 VanDerWaalsContact O-N 3.16Å; T5-G8 WeakPolarHBondContact O-CA 3.38Å; T5-G8 PolarHBondContact O-N 3.12Å; T5-V9 PolarHBondContact O-N 3.03Å; T5-V9 VanDerWaalsContact O-N 3.09Å
6A90.3Very high84.7Confident84 Ų84115.4 Ų115.469%0.69464%0.641SS**Hα-helixtrans-52.9-37.6179.800000113.6V9 F10A6-V9 PolarHBondContact O-N 3.18Å; A6-F10 PolarHBondContact O-N 3.28Å; A6-F10 VanDerWaalsContact O-N 3.08Å
7S92.4Very high85Confident75 Ų75117.5 Ų117.552%0.52465%0.647SS.*Hα-helixtrans-64.1-39.6173.4540000112.6T5 F10 C11T5-S7 WeakPolarHBondContact CG2-OG 3.35Å; T5-S7 PolarHBondContact O-N 2.92Å; T5-S7 VanDerWaalsContact O-N 3.16Å; S7-F10 PolarHBondContact O-N 3.48Å; S7-C11 WeakPolarHBondContact O-CB 3.08Å; S7-C11 PolarHBondContact O-N 3.43Å; S7-C11 PolarHBondContact O-SG 3.42Å
8G91Very high85.3Confident27 Ų27116 Ų11628%0.27864%0.641SS.*Hα-helixtrans-63.5-41.2175.600000112.2T5 N12T5-G8 WeakPolarHBondContact O-CA 3.38Å; T5-G8 PolarHBondContact O-N 3.12Å; G8-N12 WeakPolarHBondContact O-CB 3.32Å; G8-N12 VanDerWaalsContact O-CG 3.26Å; G8-N12 PolarHBondContact O-N 3.25Å; G8-N12 PolarHBondContact O-ND2 3.41Å
9V91.4Very high85.7Confident82 Ų82113.8 Ų113.850%0.49763%0.629SS.*Hα-helixtrans-64.2-43.4175.6-178.60000111.2P4 T5 A6 N12 R13P4-V9 HydrophobicContact CB-CG2 3.88Å; T5-V9 PolarHBondContact O-N 3.03Å; T5-V9 VanDerWaalsContact O-N 3.09Å; A6-V9 PolarHBondContact O-N 3.18Å; V9-N12 PolarHBondContact O-N 2.81Å; V9-R13 WeakPolarHBondContact O-CB 3.49Å; V9-R13 PolarHBondContact O-N 3.23Å
10F91.9Very high85.9Confident137 Ų137112.2 Ų112.260%0.60163%0.625SS**Hα-helixtrans-61.9-49.2176.7174.9-100.4000112.4A6 S7 N12 R13 M14A6-F10 PolarHBondContact O-N 3.28Å; A6-F10 VanDerWaalsContact O-N 3.08Å; S7-F10 PolarHBondContact O-N 3.48Å; F10-N12 PolarHBondContact O-N 3.03Å; F10-R13 WeakPolarHBondContact O-CB 3.48Å; F10-R13 PolarHBondContact O-N 2.92Å; F10-M14 HydrophobicContact CD1-SD 4.2Å; F10-M14 HydrophobicContact CE1-CG 4.26Å; F10-M14 HydrophobicContact CE1-SD 3.36Å; F10-M14 WeakPolarHBondContact CE1-SD 3.37Å; F10-M14 HydrophobicContact CE2-CG 4.42Å; F10-M14 HydrophobicContact CE2-SD 4.24Å; F10-M14 HydrophobicContact CZ-CG 4.11Å; F10-M14 HydrophobicContact CZ-SD 3.39Å; F10-M14 WeakPolarHBondContact CZ-SD 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å
11C90.9Very high86.4Confident69 Ų69113.9 Ų113.947%0.46663%0.629SS.*Hα-helixtrans-61.5-42.2177.4-69.30000112S7 R13 M14 L15S7-C11 WeakPolarHBondContact O-CB 3.08Å; S7-C11 PolarHBondContact O-N 3.43Å; S7-C11 PolarHBondContact O-SG 3.42Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.92Å; C11-M14 PolarHBondContact O-N 3.33Å; C11-L15 VanDerWaalsContact O-CG 3.32Å; C11-L15 WeakPolarHBondContact O-CG 3.32Å; C11-L15 PolarHBondContact O-N 3.37Å
12N88.3Confident88.6Confident106 Ų106106.6 Ų106.657%0.56759%0.594SS**Hα-helixtrans-62.7-40.4175.8-77.8-42.1000112G8 V9 F10 L15 S16G8-N12 WeakPolarHBondContact O-CB 3.32Å; G8-N12 VanDerWaalsContact O-CG 3.26Å; G8-N12 PolarHBondContact O-N 3.25Å; G8-N12 PolarHBondContact O-ND2 3.41Å; V9-N12 PolarHBondContact O-N 2.81Å; F10-N12 PolarHBondContact O-N 3.03Å; N12-L15 PolarHBondContact O-N 2.98Å; N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 2.95Å; N12-S16 PolarHBondContact O-OG 3.3Å
13R89.7Confident89.7Confident188 Ų188102.7 Ų102.771%0.70957%0.571SS**Hα-helixtrans-60.6-48175-164.776177.9-167.92.9110.5V9 F10 C11 L15 S16 M17V9-R13 WeakPolarHBondContact O-CB 3.49Å; V9-R13 PolarHBondContact O-N 3.23Å; F10-R13 WeakPolarHBondContact O-CB 3.48Å; F10-R13 PolarHBondContact O-N 2.92Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.92Å; R13-L15 PolarHBondContact O-N 2.83Å; R13-S16 PolarHBondContact O-N 2.96Å; R13-S16 PolarHBondContact O-OG 3.41Å; R13-M17 WeakPolarHBondContact O-CG 3.31Å; R13-M17 PolarHBondContact O-N 2.88Å
14M87.9Confident90.8Very high107 Ų10798.6 Ų98.653%0.52755%0.554SS.*Hα-helixtrans-60.9-43.2177.5-74.7-17067.400112.9F10 C11 S16 M17F10-M14 HydrophobicContact CD1-SD 4.2Å; F10-M14 HydrophobicContact CE1-CG 4.26Å; F10-M14 HydrophobicContact CE1-SD 3.36Å; F10-M14 WeakPolarHBondContact CE1-SD 3.37Å; F10-M14 HydrophobicContact CE2-CG 4.42Å; F10-M14 HydrophobicContact CE2-SD 4.24Å; F10-M14 HydrophobicContact CZ-CG 4.11Å; F10-M14 HydrophobicContact CZ-SD 3.39Å; F10-M14 WeakPolarHBondContact CZ-SD 3.48Å; F10-M14 PolarHBondContact O-N 3.16Å; C11-M14 PolarHBondContact O-N 3.33Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.12Å; M14-M17 WeakPolarHBondContact O-CB 3.27Å; M14-M17 PolarHBondContact O-N 2.95Å
15L86.4Confident91.7Very high134 Ų13496.6 Ų96.670%0.70255%0.546SS*.Hα-helixtrans-66-32.8177.7-69.9169.7000112.2C11 N12 R13 M17C11-L15 VanDerWaalsContact O-CG 3.32Å; C11-L15 WeakPolarHBondContact O-CG 3.32Å; C11-L15 PolarHBondContact O-N 3.37Å; N12-L15 PolarHBondContact O-N 2.98Å; R13-L15 PolarHBondContact O-N 2.83Å; L15-M17 VanDerWaalsContact C-N 3.3Å; L15-M17 PolarHBondContact O-N 3.38Å
16S87.1Confident91.9Very high81 Ų8196.4 Ų96.457%0.56654%0.54SS*.Hα-helixtrans-77.1-10.8177.2720000114.6N12 R13 M14 V18N12-S16 WeakPolarHBondContact O-CB 3.43Å; N12-S16 PolarHBondContact O-N 2.95Å; N12-S16 PolarHBondContact O-OG 3.3Å; R13-S16 PolarHBondContact O-N 2.96Å; R13-S16 PolarHBondContact O-OG 3.41Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.12Å; S16-V18 PolarHBondContact O-N 2.92Å
17M90.3Very high92.3Very high151 Ų15195.3 Ų95.374%0.74452%0.522SS*.THydrogen-bonded Turntrans-70-20179.5-73.5176.86700112.8R13 M14 L15R13-M17 WeakPolarHBondContact O-CG 3.31Å; R13-M17 PolarHBondContact O-N 2.88Å; M14-M17 WeakPolarHBondContact O-CB 3.27Å; M14-M17 PolarHBondContact O-N 2.95Å; L15-M17 VanDerWaalsContact C-N 3.3Å; L15-M17 PolarHBondContact O-N 3.38Å
18V90.4Very high92.6Very high90 Ų9098 Ų9855%0.54553%0.527SS..SBendtrans-97.8118.5175.3-179.20000108.8S16 S20 V23S16-V18 PolarHBondContact O-N 2.92Å; V18-S20 PolarHBondContact O-N 2.91Å; V18-S20 VanDerWaalsContact O-N 3.13Å; V18-V23 HydrophobicContact CG1-CG2 3.78Å
19N92.2Very high93Very high75 Ų7599.5 Ų99.540%0.40154%0.536SS..  trans-73.3106.1173.4-171.9-8.5000109.7E21 D22 V23N19-E21 PolarHBondContact O-N 3.25Å; N19-E21 VanDerWaalsContact OD1-CB 3.26Å; N19-E21 WeakPolarHBondContact OD1-CB 3.44Å; N19-E21 PolarHBondContact OD1-N 3.19Å; N19-D22 HydrophobicContact CB-CB 4.13Å; N19-D22 VanDerWaalsContact CB-OD2 3.32Å; N19-D22 WeakPolarHBondContact CB-OD2 3.43Å; N19-D22 VanDerWaalsContact ND2-CG 3.26Å; N19-D22 PolarHBondContact ND2-OD2 3.45Å; N19-D22 PolarHBondContact O-N 3.29Å; N19-V23 WeakPolarHBondContact O-CG2 3.44Å; N19-V23 PolarHBondContact O-N 3.3Å
20S90.8Very high93.3Very high81 Ų81101.5 Ų101.557%0.56654%0.54SS*.Hα-helixtrans-65-26.1179.5-62.60000112.4V18 N24V18-S20 PolarHBondContact O-N 2.91Å; V18-S20 VanDerWaalsContact O-N 3.13Å; S20-N24 WeakPolarHBondContact O-CB 3.35Å; S20-N24 PolarHBondContact O-N 3.22Å; S20-N24 VanDerWaalsContact O-N 3.09Å; S20-N24 PolarHBondContact O-ND2 3.02Å
21E94.9Very high93.6Very high148 Ų148103.6 Ų103.669%0.69254%0.544SS*.Hα-helixtrans-67.6-48.8176-170.9174.2-174.600110.9N19 V23 N24 A25N19-E21 PolarHBondContact O-N 3.25Å; N19-E21 VanDerWaalsContact OD1-CB 3.26Å; N19-E21 WeakPolarHBondContact OD1-CB 3.44Å; N19-E21 PolarHBondContact OD1-N 3.19Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 3.39Å; E21-N24 PolarHBondContact O-N 2.98Å; E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 2.9Å
22D95.8Very high94Very high91 Ų91105 Ų10549%0.48754%0.543SS..Hα-helixtrans-62.4-41.2178.3-65.2-27.2000111.5N19 N24 A25 I26N19-D22 HydrophobicContact CB-CB 4.13Å; N19-D22 VanDerWaalsContact CB-OD2 3.32Å; N19-D22 WeakPolarHBondContact CB-OD2 3.43Å; N19-D22 VanDerWaalsContact ND2-CG 3.26Å; N19-D22 PolarHBondContact ND2-OD2 3.45Å; N19-D22 PolarHBondContact O-N 3.29Å; D22-N24 VanDerWaalsContact C-N 3.35Å; D22-N24 PolarHBondContact O-N 2.9Å; D22-A25 PolarHBondContact O-N 3.39Å; D22-I26 VanDerWaalsContact O-CG1 3.29Å; D22-I26 WeakPolarHBondContact O-CG1 3.23Å; D22-I26 PolarHBondContact O-N 3.07Å
23V96.1Very high94.5Very high65 Ų65105.1 Ų105.139%0.39454%0.542SS..Hα-helixtrans-60.9-44.7175.6173.50000111V18 N19 E21 I26 I27V18-V23 HydrophobicContact CG1-CG2 3.78Å; N19-V23 WeakPolarHBondContact O-CG2 3.44Å; N19-V23 PolarHBondContact O-N 3.3Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 3.39Å; V23-I26 PolarHBondContact O-N 2.83Å; V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.31Å
24N96.9Very high94.9Very high86 Ų86100.8 Ų100.846%0.4653%0.532SS..Hα-helixtrans-67-36176.9-78.3-55.9000112.4S20 E21 D22 I27 Q28S20-N24 WeakPolarHBondContact O-CB 3.35Å; S20-N24 PolarHBondContact O-N 3.22Å; S20-N24 VanDerWaalsContact O-N 3.09Å; S20-N24 PolarHBondContact O-ND2 3.02Å; E21-N24 PolarHBondContact O-N 2.98Å; D22-N24 VanDerWaalsContact C-N 3.35Å; D22-N24 PolarHBondContact O-N 2.9Å; N24-I27 PolarHBondContact O-N 2.88Å; N24-Q28 WeakPolarHBondContact O-CG 3.4Å; N24-Q28 PolarHBondContact O-N 2.93Å
25A98.1Very high95.4Very high53 Ų5398.4 Ų98.444%0.43852%0.522SS..Hα-helixtrans-63.4-42.6174.500000111.5E21 D22 Q28 A29E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 2.9Å; D22-A25 PolarHBondContact O-N 3.39Å; A25-Q28 PolarHBondContact O-N 3.48Å; A25-A29 WeakPolarHBondContact O-CB 3.44Å; A25-A29 PolarHBondContact O-N 3.31Å
26I98.1Very high96Very high95 Ų9599.4 Ų99.449%0.48752%0.516SS..Hα-helixtrans-61.1-47.1174.3-68.6164.9000110.7D22 V23 Q28 A29 Q30D22-I26 VanDerWaalsContact O-CG1 3.29Å; D22-I26 WeakPolarHBondContact O-CG1 3.23Å; D22-I26 PolarHBondContact O-N 3.07Å; V23-I26 PolarHBondContact O-N 2.83Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.89Å; I26-A29 PolarHBondContact O-N 3.24Å; I26-Q30 HydrophobicContact CG2-CG 4.37Å; I26-Q30 WeakPolarHBondContact O-CB 3.27Å; I26-Q30 WeakPolarHBondContact O-CG 3.41Å; I26-Q30 PolarHBondContact O-N 2.95Å
27I98.2Very high96.6Very high61 Ų61101.7 Ų101.731%0.31352%0.516SS..Hα-helixtrans-59.5-43.6178.7-69165.4000110.7V23 N24 Q30 R31V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.31Å; N24-I27 PolarHBondContact O-N 2.88Å; I27-Q30 PolarHBondContact O-N 3.14Å; I27-R31 WeakPolarHBondContact O-CG 3.41Å; I27-R31 PolarHBondContact O-N 3.4Å
28Q98.6Very high97Very high132 Ų132100 Ų10062%0.61751%0.506SS*.Hα-helixtrans-64.7-43.9177.6-73.917957.100112N24 A25 I26 Q30 R31 H32N24-Q28 WeakPolarHBondContact O-CG 3.4Å; N24-Q28 PolarHBondContact O-N 2.93Å; A25-Q28 PolarHBondContact O-N 3.48Å; I26-Q28 VanDerWaalsContact C-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.89Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q28-R31 PolarHBondContact O-N 3.5Å; Q28-H32 WeakPolarHBondContact O-CB 3.49Å; Q28-H32 PolarHBondContact O-N 3.25Å
29A98.6Very high97.4Very high58 Ų58100.8 Ų100.848%0.47950%0.503SS..Hα-helixtrans-60.8-43176.700000111.8A25 I26 H32 M33A25-A29 WeakPolarHBondContact O-CB 3.44Å; A25-A29 PolarHBondContact O-N 3.31Å; I26-A29 PolarHBondContact O-N 3.24Å; A29-H32 PolarHBondContact O-N 2.99Å; A29-M33 WeakPolarHBondContact O-CB 3.45Å; A29-M33 PolarHBondContact O-N 3.34Å
30Q98.7Very high97.7Very high124 Ų124100.4 Ų100.458%0.57950%0.503SS*.Hα-helixtrans-64.7-43.2177-73.3176.5-19.900112.2I26 I27 Q28 M33 L34I26-Q30 HydrophobicContact CG2-CG 4.37Å; I26-Q30 WeakPolarHBondContact O-CB 3.27Å; I26-Q30 WeakPolarHBondContact O-CG 3.41Å; I26-Q30 PolarHBondContact O-N 2.95Å; I27-Q30 PolarHBondContact O-N 3.14Å; Q28-Q30 VanDerWaalsContact C-N 3.34Å; Q28-Q30 PolarHBondContact O-N 2.97Å; Q30-M33 PolarHBondContact O-N 3.07Å; Q30-L34 WeakPolarHBondContact O-CB 3.39Å; Q30-L34 PolarHBondContact O-N 3.32Å
31R98.6Very high98Very high180 Ų180101 Ų10168%0.67950%0.5SS*.Hα-helixtrans-62.4-42.9175.5-74.8176.4177.7-176.30.1112I27 Q28 M33 L34 D35I27-R31 WeakPolarHBondContact O-CG 3.41Å; I27-R31 PolarHBondContact O-N 3.4Å; Q28-R31 PolarHBondContact O-N 3.5Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.25Å; R31-L34 PolarHBondContact O-N 3.12Å; R31-D35 PolarHBondContact O-N 3.41Å
32H98.5Very high98.2Very high99 Ų99100.6 Ų100.646%0.45850%0.498SS..Hα-helixtrans-63.8-39.5176.9-173.860.2000112Q28 A29 R36Q28-H32 WeakPolarHBondContact O-CB 3.49Å; Q28-H32 PolarHBondContact O-N 3.25Å; A29-H32 PolarHBondContact O-N 2.99Å; H32-R36 PolarHBondContact NE2-NE 3.4Å; H32-R36 VanDerWaalsContact NE2-NE 3.15Å; H32-R36 WeakPolarHBondContact O-CG 3.48Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.14Å
33M98.8Very high98.4Very high108 Ų108102.3 Ų102.353%0.53250%0.504SS..Hα-helixtrans-65.4-42.3176-168.1-174.4-7000111.7A29 Q30 R31 R36 F37A29-M33 WeakPolarHBondContact O-CB 3.45Å; A29-M33 PolarHBondContact O-N 3.34Å; Q30-M33 PolarHBondContact O-N 3.07Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.25Å; M33-R36 PolarHBondContact O-N 3.25Å; M33-F37 HydrophobicContact CB-CE2 4.49Å; M33-F37 HydrophobicContact CG-CD2 3.88Å; M33-F37 HydrophobicContact CG-CE2 3.3Å; M33-F37 HydrophobicContact CG-CZ 3.78Å; M33-F37 WeakPolarHBondContact O-CD2 3.27Å; M33-F37 WeakPolarHBondContact O-CG 3.12Å; M33-F37 PolarHBondContact O-N 2.72Å; M33-F37 HydrophobicContact SD-CE2 3.56Å; M33-F37 VanDerWaalsContact SD-CE2 3.56Å; M33-F37 HydrophobicContact SD-CZ 3.91Å
34L98.8Very high98.5Very high97 Ų97103.5 Ų103.551%0.50851%0.508SS..Hα-helixtrans-60.6-48.9176.6-177.761.7000111.8Q30 R31 R36 F37 E38Q30-L34 WeakPolarHBondContact O-CB 3.39Å; Q30-L34 PolarHBondContact O-N 3.32Å; R31-L34 PolarHBondContact O-N 3.12Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.3Å; L34-F37 PolarHBondContact O-N 2.88Å; L34-E38 HydrophobicContact CD1-CG 4.33Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.54Å
35D98.6Very high98.6Very high57 Ų57104.6 Ų104.631%0.30551%0.513SS..Hα-helixtrans-56.4-40.8176.4170.976.2000112R31 K39R31-D35 PolarHBondContact O-N 3.41Å; D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 2.94Å; D35-K39 WeakPolarHBondContact OD1-CE 3.37Å; D35-K39 IonicContact OD1-NZ 2.72Å; D35-K39 PolarHBondContact OD1-NZ 3.49Å; D35-K39 IonicContact OD2-NZ 2.88Å; D35-K39 PolarHBondContact OD2-NZ 3.5Å
36R98.7Very high98.6Very high156 Ų156106.8 Ų106.859%0.58952%0.517SS*.Hα-helixtrans-66.3-40.9175.3-76.5-170.2167-166.9-1.6112.9H32 M33 L34 T40H32-R36 PolarHBondContact NE2-NE 3.4Å; H32-R36 VanDerWaalsContact NE2-NE 3.15Å; H32-R36 WeakPolarHBondContact O-CG 3.48Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.14Å; M33-R36 PolarHBondContact O-N 3.25Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.3Å; R36-T40 WeakPolarHBondContact O-CB 3.45Å; R36-T40 PolarHBondContact O-N 3.02Å; R36-T40 PolarHBondContact O-OG1 3.28Å
37F98.7Very high98.6Very high129 Ų129108.4 Ų108.457%0.56652%0.521SS*.Hα-helixtrans-64.4-43.9176.7-72.6-46.2000111.6M33 L34 T40 N41M33-F37 HydrophobicContact CB-CE2 4.49Å; M33-F37 HydrophobicContact CG-CD2 3.88Å; M33-F37 HydrophobicContact CG-CE2 3.3Å; M33-F37 HydrophobicContact CG-CZ 3.78Å; M33-F37 WeakPolarHBondContact O-CD2 3.27Å; M33-F37 WeakPolarHBondContact O-CG 3.12Å; M33-F37 PolarHBondContact O-N 2.72Å; M33-F37 HydrophobicContact SD-CE2 3.56Å; M33-F37 VanDerWaalsContact SD-CE2 3.56Å; M33-F37 HydrophobicContact SD-CZ 3.91Å; L34-F37 PolarHBondContact O-N 2.88Å; F37-T40 PolarHBondContact O-N 2.94Å; F37-N41 VanDerWaalsContact O-CB 3.29Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.35Å
38E98.7Very high98.7Very high115 Ų115110.2 Ų110.254%0.53753%0.531SS..Hα-helixtrans-61.4-48.8179-71.7175.6158.900111.3L34 T40 N41 E42L34-E38 HydrophobicContact CD1-CG 4.33Å; L34-E38 WeakPolarHBondContact O-CG 3.3Å; L34-E38 PolarHBondContact O-N 2.54Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 PolarHBondContact O-N 3Å; E38-N41 PolarHBondContact O-N 2.95Å; E38-E42 PolarHBondContact O-N 2.84Å
39K98.7Very high98.7Very high107 Ų107105.7 Ų105.747%0.46552%0.52SS..Hα-helixtrans-60.4-43176.6-73.6170.5179.4161.70112.8D35 N41 E42 M43D35-K39 WeakPolarHBondContact O-CB 3.48Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 2.94Å; D35-K39 WeakPolarHBondContact OD1-CE 3.37Å; D35-K39 IonicContact OD1-NZ 2.72Å; D35-K39 PolarHBondContact OD1-NZ 3.49Å; D35-K39 IonicContact OD2-NZ 2.88Å; D35-K39 PolarHBondContact OD2-NZ 3.5Å; K39-N41 VanDerWaalsContact C-N 3.33Å; K39-E42 PolarHBondContact O-N 2.94Å; K39-M43 WeakPolarHBondContact O-CG 3.3Å; K39-M43 PolarHBondContact O-N 3.41Å
40T98.5Very high98.7Very high67 Ų67108.3 Ų108.341%0.41153%0.526SS..Hα-helixtrans-65.4-41.1178.8-54.70000110.7R36 F37 E38 M43 L44R36-T40 WeakPolarHBondContact O-CB 3.45Å; R36-T40 PolarHBondContact O-N 3.02Å; R36-T40 PolarHBondContact O-OG1 3.28Å; F37-T40 PolarHBondContact O-N 2.94Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 PolarHBondContact O-N 3Å; T40-M43 PolarHBondContact O-N 3.37Å; T40-L44 HydrophobicContact CG2-CD1 4.27Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.92Å
41N98.7Very high98.7Very high94 Ų94105.2 Ų105.250%0.50352%0.518SS..Hα-helixtrans-65.9-40.7178.8-163.945.3000111.6F37 E38 K39 L44 I45F37-N41 VanDerWaalsContact O-CB 3.29Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.35Å; E38-N41 PolarHBondContact O-N 2.95Å; K39-N41 VanDerWaalsContact C-N 3.33Å; N41-L44 PolarHBondContact O-N 3.43Å; N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 3.47Å
42E98.7Very high98.7Very high139 Ų139100.3 Ų100.365%0.6551%0.505SS*.Hα-helixtrans-62.1-45.8174.4-171-179-179.500111.8E38 K39 L44 I45 N46E38-E42 PolarHBondContact O-N 2.84Å; K39-E42 PolarHBondContact O-N 2.94Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; E42-I45 PolarHBondContact O-N 2.97Å; E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.41Å
43M98.7Very high98.7Very high126 Ų12699 Ų9962%0.62150%0.504SS*.Hα-helixtrans-59.8-40175-74.2-169.1-67.300112.1K39 T40 N46 F47K39-M43 WeakPolarHBondContact O-CG 3.3Å; K39-M43 PolarHBondContact O-N 3.41Å; T40-M43 PolarHBondContact O-N 3.37Å; M43-N46 PolarHBondContact O-N 3.04Å; M43-F47 VanDerWaalsContact O-CB 3.3Å; M43-F47 WeakPolarHBondContact O-CB 3.36Å; M43-F47 PolarHBondContact O-N 2.94Å
44L98.8Very high98.7Very high90 Ų90102 Ų10247%0.47151%0.509SS..Hα-helixtrans-67.4-41.6176.9-74.3172.8000112.3T40 N41 E42 N46 F47 N48T40-L44 HydrophobicContact CG2-CD1 4.27Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.92Å; N41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-F47 PolarHBondContact O-N 2.9Å; L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 VanDerWaalsContact O-CG 3.22Å; L44-N48 PolarHBondContact O-N 3Å; L44-N48 PolarHBondContact O-ND2 3.07Å
45I98.7Very high98.6Very high109 Ų109102 Ų10256%0.55951%0.51SS*.Hα-helixtrans-60.8-46.5175.7-71.7164.7000109.9N41 E42 N48 G49N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 2.97Å; I45-N48 PolarHBondContact O-N 3.21Å; I45-G49 PolarHBondContact O-N 2.71Å
46N98.7Very high98.6Very high100 Ų100104 Ų10454%0.53552%0.517SS..Hα-helixtrans-62.6-47.4177.9-171.9-84.4000111.6E42 M43 L44 N48 G49 L50E42-N46 WeakPolarHBondContact O-CB 3.41Å; E42-N46 PolarHBondContact O-N 3.41Å; M43-N46 PolarHBondContact O-N 3.04Å; L44-N46 VanDerWaalsContact C-N 3.33Å; N46-N48 PolarHBondContact O-N 3.34Å; N46-G49 PolarHBondContact O-N 3.03Å; N46-G49 VanDerWaalsContact O-N 3.15Å; N46-L50 WeakPolarHBondContact O-CG 3.18Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 WeakPolarHBondContact OD1-CD1 3.32Å
47F98.7Very high98.6Very high128 Ų128100.7 Ų100.756%0.56151%0.508SS*.Hα-helixtrans-58.3-46.8177.5178.4-96000112M43 L44 G49 L50 S51M43-F47 VanDerWaalsContact O-CB 3.3Å; M43-F47 WeakPolarHBondContact O-CB 3.36Å; M43-F47 PolarHBondContact O-N 2.94Å; L44-F47 PolarHBondContact O-N 2.9Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.04Å; F47-L50 PolarHBondContact O-N 3.45Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.49Å
48N98.6Very high98.6Very high99 Ų99100.3 Ų100.353%0.52951%0.509SS..Hα-helixtrans-61.9-39.9177.5-74.2-20.6000111.4L44 I45 N46 N52L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 VanDerWaalsContact O-CG 3.22Å; L44-N48 PolarHBondContact O-N 3Å; L44-N48 PolarHBondContact O-ND2 3.07Å; I45-N48 PolarHBondContact O-N 3.21Å; N46-N48 PolarHBondContact O-N 3.34Å; N48-N52 WeakPolarHBondContact O-CB 3.39Å; N48-N52 PolarHBondContact O-N 3.46Å
49G98.6Very high98.6Very high38 Ų3898.8 Ų98.839%0.39251%0.505SS..Hα-helixtrans-60.5-51.9174.100000112.5I45 N46 F47 N52 V53I45-G49 PolarHBondContact O-N 2.71Å; N46-G49 PolarHBondContact O-N 3.03Å; N46-G49 VanDerWaalsContact O-N 3.15Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.04Å; G49-N52 PolarHBondContact O-N 3.08Å; G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.33Å
50L98.6Very high98.6Very high112 Ų112100 Ų10059%0.58651%0.513SS*.Hα-helixtrans-63.1-45.6179.8-68.3177000112.2N46 F47 N52 V53 R54N46-L50 WeakPolarHBondContact O-CG 3.18Å; N46-L50 PolarHBondContact O-N 3.31Å; N46-L50 WeakPolarHBondContact OD1-CD1 3.32Å; F47-L50 PolarHBondContact O-N 3.45Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 2.93Å; L50-V53 PolarHBondContact O-N 3.25Å; L50-R54 PolarHBondContact O-N 3.06Å
51S98.6Very high98.6Very high60 Ų60104.7 Ų104.742%0.4252%0.523SS..Hα-helixtrans-61.2-43.3178.1-177.70000111.3F47 R54 L55F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 3.49Å; S51-R54 PolarHBondContact O-N 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.22Å; S51-L55 PolarHBondContact O-N 2.92Å
52N98.7Very high98.6Very high77 Ų77106.5 Ų106.541%0.41253%0.526SS..Hα-helixtrans-63.8-43.8177.1-177.964.1000112.3N48 G49 L50 R54 L55 Q56N48-N52 WeakPolarHBondContact O-CB 3.39Å; N48-N52 PolarHBondContact O-N 3.46Å; G49-N52 PolarHBondContact O-N 3.08Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 2.93Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.39Å; N52-L55 PolarHBondContact O-N 3.33Å; N52-Q56 PolarHBondContact ND2-NE2 3.2Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.2Å; N52-Q56 WeakPolarHBondContact O-CG 3.42Å; N52-Q56 PolarHBondContact O-N 3.46Å
53V98.6Very high98.6Very high71 Ų71104.3 Ų104.343%0.4352%0.518SS..Hα-helixtrans-60.1-44.6175.3170.60000110.8G49 L50 L55 Q56 Q57G49-V53 WeakPolarHBondContact O-CG2 3.48Å; G49-V53 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 3.25Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 3.08Å; V53-Q57 WeakPolarHBondContact O-CG 3.29Å; V53-Q57 PolarHBondContact O-N 2.87Å
54R98.5Very high98.6Very high171 Ų171102.9 Ų102.965%0.64551%0.513SS*.Hα-helixtrans-63.8-41179.2-171.760172.7-178.6-3.2112L50 S51 N52 M58L50-R54 PolarHBondContact O-N 3.06Å; S51-R54 PolarHBondContact O-N 3.24Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-R54 PolarHBondContact O-N 3.39Å; R54-M58 PolarHBondContact O-N 3.33Å; R54-M58 VanDerWaalsContact O-N 3.08Å
55L98.6Very high98.6Very high98 Ų98104.3 Ų104.351%0.51352%0.517SS..Hα-helixtrans-62.6-45.9176179.162.4000111.5S51 N52 V53 Q57 M58 N59S51-L55 WeakPolarHBondContact O-CB 3.22Å; S51-L55 PolarHBondContact O-N 2.92Å; N52-L55 PolarHBondContact O-N 3.33Å; V53-L55 VanDerWaalsContact C-N 3.34Å; V53-L55 PolarHBondContact O-N 3.46Å; L55-Q57 PolarHBondContact O-N 3.08Å; L55-M58 HydrophobicContact CD1-CE 4.15Å; L55-M58 PolarHBondContact O-N 2.91Å; L55-N59 VanDerWaalsContact O-CB 3.27Å; L55-N59 WeakPolarHBondContact O-CB 3.3Å; L55-N59 PolarHBondContact O-N 2.9Å
56Q98.7Very high98.6Very high99 Ų99101.9 Ų101.946%0.46351%0.507SS..Hα-helixtrans-59.4-47.9178.3-74.4177.6-500111.5N52 V53 M58 N59 E60N52-Q56 PolarHBondContact ND2-NE2 3.2Å; N52-Q56 VanDerWaalsContact ND2-NE2 3.2Å; N52-Q56 WeakPolarHBondContact O-CG 3.42Å; N52-Q56 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 3.08Å; Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 3.31Å; Q56-N59 PolarHBondContact O-N 3.28Å; Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 3.26Å
57Q98.4Very high98.6Very high85 Ų85104.9 Ų104.940%0.39751%0.511SS..Hα-helixtrans-58.7-44.4177.2-71.4175.1-3.900112.6V53 L55 R61V53-Q57 WeakPolarHBondContact O-CG 3.29Å; V53-Q57 PolarHBondContact O-N 2.87Å; L55-Q57 PolarHBondContact O-N 3.08Å; Q57-R61 WeakPolarHBondContact O-CG 3.19Å; Q57-R61 PolarHBondContact O-N 3.15Å
58M98.6Very high98.6Very high121 Ų121101.9 Ų101.960%0.59650%0.503SS*.Hα-helixtrans-66.9-42178.8-174.817565.700111.4R54 L55 Q56 R61 F62R54-M58 PolarHBondContact O-N 3.33Å; R54-M58 VanDerWaalsContact O-N 3.08Å; L55-M58 HydrophobicContact CD1-CE 4.15Å; L55-M58 PolarHBondContact O-N 2.91Å; Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 3.31Å; M58-R61 PolarHBondContact O-N 3.45Å; M58-F62 WeakPolarHBondContact O-CB 3.26Å; M58-F62 PolarHBondContact O-N 2.98Å
59N98.6Very high98.6Very high84 Ų84102.8 Ų102.845%0.44951%0.507SS..Hα-helixtrans-63.5-41.9178.6-174.454.4000111.9L55 Q56 R61 F62 L63L55-N59 VanDerWaalsContact O-CB 3.27Å; L55-N59 WeakPolarHBondContact O-CB 3.3Å; L55-N59 PolarHBondContact O-N 2.9Å; Q56-N59 PolarHBondContact O-N 3.28Å; N59-R61 PolarHBondContact O-N 3.34Å; N59-F62 PolarHBondContact O-N 2.89Å; N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 2.83Å
60E98.6Very high98.6Very high133 Ų133104.3 Ų104.362%0.62151%0.509SS*.Hα-helixtrans-58.9-46.1175-75.5176.9179.400112.1Q56 L63 L64Q56-E60 WeakPolarHBondContact O-CG 3.33Å; Q56-E60 PolarHBondContact O-N 3.26Å; E60-L63 PolarHBondContact O-N 3.41Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 PolarHBondContact O-N 2.98Å
61R98.4Very high98.7Very high165 Ų165102 Ų10262%0.62350%0.497SS*.Hα-helixtrans-64.3-41.9176.6-68.9-175.7-174.4-171.91.5112Q57 M58 N59 L64 H65Q57-R61 WeakPolarHBondContact O-CG 3.19Å; Q57-R61 PolarHBondContact O-N 3.15Å; M58-R61 PolarHBondContact O-N 3.45Å; N59-R61 PolarHBondContact O-N 3.34Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.39Å; R61-H65 PolarHBondContact O-CD2 3.05Å; R61-H65 VanDerWaalsContact O-CD2 3.26Å; R61-H65 PolarHBondContact O-N 2.92Å
62F98.7Very high98.7Very high131 Ų131104.4 Ų104.458%0.57550%0.503SS*.Hα-helixtrans-58.6-50.4176.8-179.5-98.3000111M58 N59 L64 H65 T66M58-F62 WeakPolarHBondContact O-CB 3.26Å; M58-F62 PolarHBondContact O-N 2.98Å; N59-F62 PolarHBondContact O-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.3Å; F62-L64 PolarHBondContact O-N 2.95Å; F62-H65 PolarHBondContact O-N 3.46Å; F62-H65 VanDerWaalsContact O-N 3.16Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.3Å; F62-T66 VanDerWaalsContact O-OG1 3.08Å
63L98.7Very high98.6Very high93 Ų93106.7 Ų106.749%0.48751%0.51SS..Hα-helixtrans-60-39.5177.5-69.9174.4000112.5N59 E60 R67N59-L63 VanDerWaalsContact O-CG 3.3Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 2.83Å; E60-L63 PolarHBondContact O-N 3.41Å; L63-R67 WeakPolarHBondContact O-CB 3.32Å; L63-R67 PolarHBondContact O-N 3.48Å
64L98.8Very high98.6Very high97 Ų97108.7 Ų108.751%0.50851%0.512SS..Hα-helixtrans-62.5-45.5175.4179.564.8000111.8E60 R61 F62 R67 T68E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 PolarHBondContact O-N 2.98Å; R61-L64 WeakPolarHBondContact O-CB 3.49Å; R61-L64 PolarHBondContact O-N 3.39Å; F62-L64 VanDerWaalsContact C-N 3.3Å; F62-L64 PolarHBondContact O-N 2.95Å; L64-R67 PolarHBondContact O-N 3.22Å; L64-T68 PolarHBondContact O-N 3.43Å; L64-T68 PolarHBondContact O-OG1 3.23Å
65H98.8Very high98.6Very high119 Ų119105.4 Ų105.455%0.55151%0.508SS*.Hα-helixtrans-64.4-44.8177.5-68.2-34.4000111.7R61 F62 R67 T68 L69R61-H65 PolarHBondContact O-CD2 3.05Å; R61-H65 VanDerWaalsContact O-CD2 3.26Å; R61-H65 PolarHBondContact O-N 2.92Å; F62-H65 PolarHBondContact O-N 3.46Å; F62-H65 VanDerWaalsContact O-N 3.16Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 3.41Å; H65-T68 WeakPolarHBondContact O-CB 3.47Å; H65-T68 PolarHBondContact O-N 3.33Å; H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 2.93Å
66T98.8Very high98.6Very high58 Ų58105 Ų10536%0.35651%0.506SS..Hα-helixtrans-59.4-43.6175.3-54.40000111.7F62 T68 L69 V70F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.3Å; F62-T66 VanDerWaalsContact O-OG1 3.08Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.88Å; T66-L69 PolarHBondContact O-N 3.38Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.26Å
67R98.8Very high98.6Very high164 Ų164103.6 Ų103.662%0.61950%0.501SS*.Hα-helixtrans-60.2-45.6176-175.6-178-59.7176.92.6111.7L63 L64 H65 L69 V70 D71L63-R67 WeakPolarHBondContact O-CB 3.32Å; L63-R67 PolarHBondContact O-N 3.48Å; L64-R67 PolarHBondContact O-N 3.22Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 3.41Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.43Å; R67-V70 WeakPolarHBondContact O-CB 3.12Å; R67-V70 PolarHBondContact O-N 2.9Å; R67-V70 VanDerWaalsContact O-N 3.14Å; R67-D71 PolarHBondContact O-N 3.28Å
68T98.8Very high98.6Very high65 Ų65103.1 Ų103.140%0.39951%0.507SS..Hα-helixtrans-58.6-45178.9-55.60000111L64 H65 T66 V70 D71 M72L64-T68 PolarHBondContact O-N 3.43Å; L64-T68 PolarHBondContact O-OG1 3.23Å; H65-T68 WeakPolarHBondContact O-CB 3.47Å; H65-T68 PolarHBondContact O-N 3.33Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.88Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.27Å; T68-D71 PolarHBondContact O-N 3.41Å; T68-M72 HydrophobicContact CG2-CG 4.49Å; T68-M72 HydrophobicContact CG2-SD 4.15Å; T68-M72 VanDerWaalsContact O-CG 3.3Å; T68-M72 WeakPolarHBondContact O-CG 3.39Å; T68-M72 PolarHBondContact O-N 3.37Å
69L98.8Very high98.6Very high117 Ų117101.6 Ų101.661%0.61350%0.5SS*.Hα-helixtrans-62.2-40.9176.4-69.5173.4000112.5H65 T66 R67 D71 M72 K73H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 2.93Å; T66-L69 PolarHBondContact O-N 3.38Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.43Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 3.01Å; L69-M72 PolarHBondContact O-N 2.9Å; L69-K73 WeakPolarHBondContact O-CB 3.29Å; L69-K73 PolarHBondContact O-N 3.05Å
70V98.6Very high98.6Very high70 Ų70102.6 Ų102.642%0.42450%0.501SS..Hα-helixtrans-63.5-40.4176.3168.90000111.3T66 R67 T68 K73 K74T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.26Å; R67-V70 WeakPolarHBondContact O-CB 3.12Å; R67-V70 PolarHBondContact O-N 2.9Å; R67-V70 VanDerWaalsContact O-N 3.14Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.27Å; V70-K73 WeakPolarHBondContact O-CB 3.33Å; V70-K73 PolarHBondContact O-N 3.35Å; V70-K74 WeakPolarHBondContact O-CG 3.21Å; V70-K74 PolarHBondContact O-N 3.06Å; V70-K74 VanDerWaalsContact O-N 3.12Å
71D98.8Very high98.6Very high65 Ų65104.7 Ų104.735%0.34850%0.503SS..Hα-helixtrans-71-42.3179-67.7-24.8000111.4R67 T68 L69 K73 K74 D75R67-D71 PolarHBondContact O-N 3.28Å; T68-D71 PolarHBondContact O-N 3.41Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 3.01Å; D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 3.35Å; D71-K74 WeakPolarHBondContact O-CB 3.33Å; D71-K74 PolarHBondContact O-N 3.01Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 IonicContact OD1-NZ 2.83Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; D71-D75 PolarHBondContact O-N 3.22Å
72M98.8Very high98.6Very high109 Ų109105.5 Ų105.554%0.53751%0.506SS..Hα-helixtrans-58.3-39.2171.9-70.7175.669.500112.2T68 L69 D75 L76T68-M72 HydrophobicContact CG2-CG 4.49Å; T68-M72 HydrophobicContact CG2-SD 4.15Å; T68-M72 VanDerWaalsContact O-CG 3.3Å; T68-M72 WeakPolarHBondContact O-CG 3.39Å; T68-M72 PolarHBondContact O-N 3.37Å; L69-M72 PolarHBondContact O-N 2.9Å; M72-D75 PolarHBondContact O-N 3.14Å; M72-L76 WeakPolarHBondContact O-CG 3.44Å; M72-L76 PolarHBondContact O-N 2.9Å
73K98.4Very high98.5Very high126 Ų126103.9 Ų103.955%0.54850%0.502SS..Hα-helixtrans-60.3-47.1173.8-178.2-171.7177.4-65.90111.2L69 V70 D71 D75 L76 D77L69-K73 WeakPolarHBondContact O-CB 3.29Å; L69-K73 PolarHBondContact O-N 3.05Å; V70-K73 WeakPolarHBondContact O-CB 3.33Å; V70-K73 PolarHBondContact O-N 3.35Å; D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 3.35Å; K73-D75 VanDerWaalsContact C-N 3.28Å; K73-D75 PolarHBondContact O-N 2.73Å; K73-L76 PolarHBondContact O-N 3.29Å; K73-D77 IonicContact NZ-OD1 3.5Å; K73-D77 IonicContact NZ-OD2 3.53Å; K73-D77 PolarHBondContact NZ-OD2 3.43Å; K73-D77 VanDerWaalsContact O-CG 3.26Å; K73-D77 PolarHBondContact O-N 2.88Å
74K98.6Very high98.3Very high113 Ų113105.6 Ų105.649%0.49150%0.503SS..Hα-helixtrans-60.6-39.8178.2-67.5169.6-167.2155.30111.7V70 D71 D77 S78V70-K74 WeakPolarHBondContact O-CG 3.21Å; V70-K74 PolarHBondContact O-N 3.06Å; V70-K74 VanDerWaalsContact O-N 3.12Å; D71-K74 WeakPolarHBondContact O-CB 3.33Å; D71-K74 PolarHBondContact O-N 3.01Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 IonicContact OD1-NZ 2.83Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; K74-D77 PolarHBondContact O-N 2.95Å; K74-S78 WeakPolarHBondContact O-CB 3.45Å; K74-S78 PolarHBondContact O-N 3.28Å
75D98.5Very high98.2Very high102 Ų102104.2 Ų104.255%0.54550%0.498SS..Hα-helixtrans-63.5-45.4177.4-70.5-18.9000111.1D71 M72 K73 S78 I79D71-D75 PolarHBondContact O-N 3.22Å; M72-D75 PolarHBondContact O-N 3.14Å; K73-D75 VanDerWaalsContact C-N 3.28Å; K73-D75 PolarHBondContact O-N 2.73Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 2.97Å; D75-I79 VanDerWaalsContact O-CG1 3.27Å; D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 3.32Å
76L98.6Very high98.1Very high90 Ų90102.6 Ų102.647%0.47149%0.493SS..Hα-helixtrans-61.1-46.2174.1-71.4-177.7000111.9M72 K73 S78 I79 F80M72-L76 WeakPolarHBondContact O-CG 3.44Å; M72-L76 PolarHBondContact O-N 2.9Å; K73-L76 PolarHBondContact O-N 3.29Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 3.48Å; L76-I79 VanDerWaalsContact O-N 3.12Å; L76-F80 HydrophobicContact CB-CD2 4.31Å; L76-F80 HydrophobicContact CB-CE2 4.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.44Å; L76-F80 PolarHBondContact O-N 3.14Å
77D97.9Very high97.8Very high69 Ų69104 Ų10437%0.36949%0.494SS..Hα-helixtrans-57.1-41.1177.5-70.7-23000111.3K73 K74 R81K73-D77 IonicContact NZ-OD1 3.5Å; K73-D77 IonicContact NZ-OD2 3.53Å; K73-D77 PolarHBondContact NZ-OD2 3.43Å; K73-D77 VanDerWaalsContact O-CG 3.26Å; K73-D77 PolarHBondContact O-N 2.88Å; K74-D77 PolarHBondContact O-N 2.95Å; D77-R81 VanDerWaalsContact O-CB 3.27Å; D77-R81 WeakPolarHBondContact O-CB 3.32Å; D77-R81 PolarHBondContact O-N 3.29Å
78S98.4Very high97.5Very high74 Ų7497.8 Ų97.852%0.51748%0.481SS..Hα-helixtrans-65.2-46175.1175.40000112.3K74 D75 L76 R81 R82K74-S78 WeakPolarHBondContact O-CB 3.45Å; K74-S78 PolarHBondContact O-N 3.28Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 2.97Å; L76-S78 VanDerWaalsContact C-N 3.25Å; L76-S78 PolarHBondContact O-N 3.4Å; S78-R81 PolarHBondContact O-N 2.92Å; S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 3.02Å
79I98.5Very high97.3Very high89 Ų89100.7 Ų100.746%0.45649%0.488SS..Hα-helixtrans-60.5-50.8178-70.7164.3000110.3D75 L76 R81 R82 I83D75-I79 VanDerWaalsContact O-CG1 3.27Å; D75-I79 WeakPolarHBondContact O-CG1 3.43Å; D75-I79 PolarHBondContact O-N 3.32Å; L76-I79 PolarHBondContact O-N 3.48Å; L76-I79 VanDerWaalsContact O-N 3.12Å; I79-R81 PolarHBondContact O-N 3.33Å; I79-R82 PolarHBondContact O-N 3.3Å; I79-I83 HydrophobicContact CG2-CD1 3.78Å; I79-I83 HydrophobicContact CG2-CG1 4.46Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.46Å
80F98.4Very high97Very high106 Ų10699.1 Ų99.147%0.46548%0.48SS..Hα-helixtrans-62.1-42.5179.4-75.8-65000111.9L76 R82 I83 R84L76-F80 HydrophobicContact CB-CD2 4.31Å; L76-F80 HydrophobicContact CB-CE2 4.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.44Å; L76-F80 PolarHBondContact O-N 3.14Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.95Å; F80-I83 PolarHBondContact O-N 3.33Å; F80-R84 WeakPolarHBondContact O-CG 3.49Å; F80-R84 PolarHBondContact O-N 2.91Å
81R98.1Very high96.7Very high177 Ų17798.1 Ų98.167%0.66848%0.476SS*.Hα-helixtrans-59.2-42.6174.7-172.6-175.1-58.1-168-0.1112.2D77 S78 I79 T85D77-R81 VanDerWaalsContact O-CB 3.27Å; D77-R81 WeakPolarHBondContact O-CB 3.32Å; D77-R81 PolarHBondContact O-N 3.29Å; S78-R81 PolarHBondContact O-N 2.92Å; I79-R81 PolarHBondContact O-N 3.33Å; R81-T85 WeakPolarHBondContact O-CB 3.38Å; R81-T85 PolarHBondContact O-N 3.15Å; R81-T85 PolarHBondContact O-OG1 3.17Å
82R98.1Very high96.3Very high181 Ų181103.8 Ų103.868%0.68350%0.497SS*.Hα-helixtrans-65.5-43.8177.5-176168.4178.8167.4-1.2111.1S78 I79 F80 T85 L86S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 3.02Å; I79-R82 PolarHBondContact O-N 3.3Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.95Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 2.94Å; R82-L86 HydrophobicContact CG-CD1 3.7Å; R82-L86 WeakPolarHBondContact O-CD1 3.29Å; R82-L86 PolarHBondContact O-N 2.73Å
83I96.9Very high96.2Very high97 Ų97105.3 Ų105.350%0.49750%0.503SS..Hα-helixtrans-58.9-51.5175.6-68.7168.1000110.6I79 F80 T85 L86 K87I79-I83 HydrophobicContact CG2-CD1 3.78Å; I79-I83 HydrophobicContact CG2-CG1 4.46Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.46Å; F80-I83 PolarHBondContact O-N 3.33Å; I83-T85 VanDerWaalsContact C-N 3.28Å; I83-T85 PolarHBondContact O-N 3.34Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.12Å; I83-K87 WeakPolarHBondContact O-CB 3.39Å; I83-K87 PolarHBondContact O-N 3.46Å
84R96.1Very high95.8Very high130 Ų130106.4 Ų106.449%0.49151%0.505SS..Hα-helixtrans-54.9-44.7176.4-70.9-175.7-174.8102.6-4.1111.7F80 L86 K87 G88 D111F80-R84 WeakPolarHBondContact O-CG 3.49Å; F80-R84 PolarHBondContact O-N 2.91Å; R84-L86 PolarHBondContact O-N 3.09Å; R84-K87 PolarHBondContact O-N 3.34Å; R84-G88 PolarHBondContact O-N 3.36Å; R84-D111 VanDerWaalsContact CD-OD2 3.23Å; R84-D111 WeakPolarHBondContact CD-OD2 3.32Å; R84-D111 IonicContact CZ-OD1 3.93Å; R84-D111 IonicContact CZ-OD2 3.84Å; R84-D111 IonicContact NE-OD1 2.9Å; R84-D111 IonicContact NE-OD2 3.82Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD1 2.73Å; R84-D111 IonicContact NH2-OD2 2.54Å
85T96.2Very high95.2Very high68 Ų68104.7 Ų104.742%0.41751%0.505SS..Hα-helixtrans-61.6-44.4177.4-58.10000112.2R81 R82 I83 K89R81-T85 WeakPolarHBondContact O-CB 3.38Å; R81-T85 PolarHBondContact O-N 3.15Å; R81-T85 PolarHBondContact O-OG1 3.17Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 2.94Å; I83-T85 VanDerWaalsContact C-N 3.28Å; I83-T85 PolarHBondContact O-N 3.34Å; T85-K89 HydrophobicContact CG2-CD 4.4Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 2.78Å
86L96.2Very high94.6Very high85 Ų85106.9 Ų106.945%0.44551%0.512SS..Hα-helixtrans-67.4-44.5177.9-90.878.6000111.2R82 I83 R84 G88 K89 I90R82-L86 HydrophobicContact CG-CD1 3.7Å; R82-L86 WeakPolarHBondContact O-CD1 3.29Å; R82-L86 PolarHBondContact O-N 2.73Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.12Å; R84-L86 PolarHBondContact O-N 3.09Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-N 3.16Å; L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 3.39Å
87K93.2Very high93.8Very high87 Ų87105.6 Ų105.638%0.37851%0.514SS..Hα-helixtrans-54.5-50.3175.5-169-178.1-179.9-176.60110.2I83 R84 K89 I90 S91 F98 E108I83-K87 WeakPolarHBondContact O-CB 3.39Å; I83-K87 PolarHBondContact O-N 3.46Å; R84-K87 PolarHBondContact O-N 3.34Å; K87-K89 PolarHBondContact O-N 3.25Å; K87-I90 PolarHBondContact O-N 3.45Å; K87-S91 WeakPolarHBondContact O-CB 3.33Å; K87-S91 PolarHBondContact O-N 3.44Å; K87-F98 HydrophobicContact CD-CZ 4.25Å; K87-F98 HydrophobicContact CG-CE2 4Å; K87-F98 HydrophobicContact CG-CZ 3.54Å; K87-E108 IonicContact NZ-OE1 3.83Å; K87-E108 PolarHBondContact NZ-OE1 2.95Å
88G91.3Very high93.1Very high33 Ų33104.9 Ų104.934%0.3451%0.508SS..Hα-helixtrans-62.3-37.3177.300000114R84 L86 K92R84-G88 PolarHBondContact O-N 3.36Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3Å; G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.37Å; G88-K92 PolarHBondContact O-N 2.91Å
89K95.2Very high92.2Very high127 Ų127105.2 Ų105.255%0.55251%0.51SS*.Hα-helixtrans-67.5-44.2175-76.4177.7-179.1-178.70112.4T85 L86 K87 K92 Q93T85-K89 HydrophobicContact CG2-CD 4.4Å; T85-K89 WeakPolarHBondContact O-CG 3.48Å; T85-K89 PolarHBondContact O-N 2.78Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-K89 VanDerWaalsContact O-N 3.16Å; K87-K89 PolarHBondContact O-N 3.25Å; K89-K92 PolarHBondContact O-N 2.91Å; K89-Q93 WeakPolarHBondContact O-CB 3.48Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 2.91Å
90I93.1Very high91.2Very high84 Ų84107.3 Ų107.343%0.43152%0.522SS..Hα-helixtrans-66.8-44.8-179-65166000110.2L86 K87 K92 Q93 Y94 F98L86-I90 WeakPolarHBondContact O-CG1 3.38Å; L86-I90 PolarHBondContact O-N 3.39Å; K87-I90 PolarHBondContact O-N 3.45Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.31Å; I90-Q93 PolarHBondContact O-N 2.96Å; I90-Y94 PolarHBondContact O-N 3.32Å; I90-F98 HydrophobicContact CB-CD2 4.39Å; I90-F98 HydrophobicContact CG2-CD2 3.79Å; I90-F98 HydrophobicContact CG2-CE2 4.36Å
91S90.6Very high90.3Very high49 Ų49107.9 Ų107.934%0.34353%0.529SS..Hα-helixtrans-55.2-42.8175.7177.30000112.2K87 P95K87-S91 WeakPolarHBondContact O-CB 3.33Å; K87-S91 PolarHBondContact O-N 3.44Å; S91-P95 WeakPolarHBondContact O-CA 3.45Å
92K91.8Very high88.3Confident183 Ų183107 Ų10780%0.79654%0.538SS*.Hα-helixtrans-71.2-36.3177.2-71.8177-177.5-177.60114G88 K89 I90G88-K92 VanDerWaalsContact O-CG 3.31Å; G88-K92 WeakPolarHBondContact O-CG 3.37Å; G88-K92 PolarHBondContact O-N 2.91Å; K89-K92 PolarHBondContact O-N 2.91Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.31Å
93Q95.2Very high86.5Confident142 Ų142104.3 Ų104.366%0.66453%0.533SS*.Hα-helixtrans-85.4-29.3-175.5-69.6-145.986.500113.6K89 I90K89-Q93 WeakPolarHBondContact O-CB 3.48Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 2.91Å; I90-Q93 PolarHBondContact O-N 2.96Å
94Y91.9Very high84.5Confident149 Ų149104 Ų10458%0.58454%0.54SS*.  trans-137.865.2-176.1-57.2-76.3000111.6I90 E96 A97 F98I90-Y94 PolarHBondContact O-N 3.32Å; Y94-E96 PolarHBondContact O-N 2.85Å; Y94-A97 PolarHBondContact O-N 3.26Å; Y94-F98 VanDerWaalsContact O-CB 3.32Å; Y94-F98 WeakPolarHBondContact O-CB 3.26Å; Y94-F98 PolarHBondContact O-N 2.92Å
95P85.9Confident82.2Confident76 Ų76103.9 Ų103.949%0.49456%0.556SS.*Hα-helixtrans-58.7-45.9-172.320.6-31.6000113S91 A97 F98 S99S91-P95 WeakPolarHBondContact O-CA 3.45Å; P95-A97 PolarHBondContact O-N 3.42Å; P95-F98 PolarHBondContact O-N 2.97Å; P95-S99 PolarHBondContact O-N 3.45Å; P95-S99 PolarHBondContact O-OG 3.27Å
96E84.1Confident80Confident148 Ų148107.5 Ų107.569%0.69257%0.571SS**Hα-helixtrans-64.9-35.4-179.8-60.8-61.4147.300113.4Y94 S99 N100Y94-E96 PolarHBondContact O-N 2.85Å; E96-S99 PolarHBondContact O-OG 3.39Å; E96-S99 VanDerWaalsContact O-OG 3.07Å; E96-N100 VanDerWaalsContact O-CG 3.28Å; E96-N100 PolarHBondContact O-ND2 2.95Å
97A83Confident77.8Confident63 Ų63111.2 Ų111.252%0.52159%0.59SS.*Hα-helixtrans-76.4-31.6177.300000111.3Y94 P95Y94-A97 PolarHBondContact O-N 3.26Å; P95-A97 PolarHBondContact O-N 3.42Å
98F84Confident75.6Confident55 Ų55112.8 Ų112.824%0.24160%0.599CS.*Hα-helixtrans-74.6-38.9-179.9-165.5-97.3000112.1K87 I90 Y94 P95 N100 I101K87-F98 HydrophobicContact CD-CZ 4.25Å; K87-F98 HydrophobicContact CG-CE2 4Å; K87-F98 HydrophobicContact CG-CZ 3.54Å; I90-F98 HydrophobicContact CB-CD2 4.39Å; I90-F98 HydrophobicContact CG2-CD2 3.79Å; I90-F98 HydrophobicContact CG2-CE2 4.36Å; Y94-F98 VanDerWaalsContact O-CB 3.32Å; Y94-F98 WeakPolarHBondContact O-CB 3.26Å; Y94-F98 PolarHBondContact O-N 2.92Å; P95-F98 PolarHBondContact O-N 2.97Å; F98-N100 PolarHBondContact O-N 3.46Å; F98-I101 HydrophobicContact CD2-CD1 4.47Å; F98-I101 PolarHBondContact O-N 3.43Å
99S79.3Confident73.6Confident80 Ų80118.7 Ų118.756%0.55962%0.623SS**Hα-helixtrans-67-20.8177.158.10000114.2P95 E96 I101P95-S99 PolarHBondContact O-N 3.45Å; P95-S99 PolarHBondContact O-OG 3.27Å; E96-S99 PolarHBondContact O-OG 3.39Å; E96-S99 VanDerWaalsContact O-OG 3.07Å; S99-I101 VanDerWaalsContact C-N 3.31Å
100N77.5Confident71.4Confident133 Ų133120 Ų12071%0.71164%0.636SS**THydrogen-bonded Turntrans-83-5.8179.2-70.8-27.6000113.5E96 F98 N102E96-N100 VanDerWaalsContact O-CG 3.28Å; E96-N100 PolarHBondContact O-ND2 2.95Å; F98-N100 PolarHBondContact O-N 3.46Å; N100-N102 PolarHBondContact O-N 3.46Å
101I77.9Confident69.7Low118 Ų118120.3 Ų120.361%0.60564%0.638SS**SBendtrans-81103.1174.8-58.4172000106.8F98 S99 E103F98-I101 HydrophobicContact CD2-CD1 4.47Å; F98-I101 PolarHBondContact O-N 3.43Å; S99-I101 VanDerWaalsContact C-N 3.31Å; I101-E103 PolarHBondContact O-N 3.23Å
102N57.3Low67.9Low159 Ų159125.4 Ų125.485%0.8566%0.662SS**  trans-56.8108.2177-125.9-18.6000109.1N100 S104N100-N102 PolarHBondContact O-N 3.46Å; N102-S104 PolarHBondContact O-N 3.13Å
103E58.9Low65.9Low125 Ų125125.9 Ų125.958%0.58467%0.667SS**  trans-65.4107.5-179.2-162.5163.5-131.800108.1I101I101-E103 PolarHBondContact O-N 3.23Å
104S55.4Low63.8Low91 Ų91127.1 Ų127.164%0.63667%0.672SS**  trans-61.8132.1161.4-60.40000106.2N102 I106N102-S104 PolarHBondContact O-N 3.13Å; S104-I106 PolarHBondContact O-N 3.17Å
105P49.3Very low61.5Low127 Ų127129.5 Ų129.583%0.82569%0.686SS**  trans-7085.7-172.627-32.7000109.6
106I48.8Very low59.6Low143 Ų143131 Ų13173%0.73369%0.69SS**  trans-109.4100.9162.4-58.7175.9000103S104 E108S104-I106 PolarHBondContact O-N 3.17Å; I106-E108 PolarHBondContact O-N 3.34Å
107L49.1Very low58Low164 Ų164128.8 Ų128.886%0.85969%0.688SS**  trans-35.9109.5-177.7-59.4169.8000110.6D109L107-D109 PolarHBondContact O-N 2.86Å
108E48.3Very low56Low120 Ų120133.2 Ų133.256%0.56170%0.702SS**  trans-68.789.8157.6-59.1-158.114000106.2K87 I106 D110K87-E108 IonicContact NZ-OE1 3.83Å; K87-E108 PolarHBondContact NZ-OE1 2.95Å; I106-E108 PolarHBondContact O-N 3.34Å; E108-D110 PolarHBondContact O-N 3.08Å
109D48.8Very low54Low156 Ų156135.4 Ų135.483%0.83472%0.721SS**  trans-81.3106152.8-117.2-5.6000105.3L107 D111L107-D109 PolarHBondContact O-N 2.86Å; D109-D111 PolarHBondContact O-N 3.16Å
110D50Low53Low155 Ų155137.5 Ų137.583%0.82973%0.733SS**  trans-47.4128.7168.4-103.4-34.6000109.4E108 D112E108-D110 PolarHBondContact O-N 3.08Å; D110-D112 PolarHBondContact O-N 3.09Å
111D56.1Low51.2Low90 Ų90136 Ų13648%0.48173%0.734SS.*SBendtrans-58.9129.9164.3-71.3-62.3000108.5R84 D109R84-D111 VanDerWaalsContact CD-OD2 3.23Å; R84-D111 WeakPolarHBondContact CD-OD2 3.32Å; R84-D111 IonicContact CZ-OD1 3.93Å; R84-D111 IonicContact CZ-OD2 3.84Å; R84-D111 IonicContact NE-OD1 2.9Å; R84-D111 IonicContact NE-OD2 3.82Å; R84-D111 PolarHBondContact NE-OD2 3.4Å; R84-D111 IonicContact NH2-OD1 2.73Å; R84-D111 IonicContact NH2-OD2 2.54Å; D109-D111 PolarHBondContact O-N 3.16Å
112D53.2Low49.8Very low157 Ų157136.8 Ų136.884%0.8474%0.743SS**  trans158.756.6136.8-73.7-22000115D110D110-D112 PolarHBondContact O-N 3.09Å
113E49.4Very low49.2Very low193 Ų193133.2 Ų133.290%0.90274%0.736SS**SBendtrans-137.7100.7154.1-74.5-170.7-179.400111.3
114E50.7Low48.1Very low167 Ų167133.2 Ų133.278%0.7875%0.745SS**  trans4892.8141.3-160.6161.9-153.600118.4D116E114-D116 HydrophobicContact CG-CB 4.31Å; E114-D116 PolarHBondContact O-N 2.92Å
115F45.4Very low47.8Very low199 Ų199134.5 Ų134.587%0.87375%0.749SS**  trans-7483.8154.8-166.8-93000108.3
116D45.8Very low47.3Very low109 Ų109134.4 Ų134.458%0.58375%0.746SS**  trans-56.9124.5175.8-1559.7000109.1E114 I118E114-D116 HydrophobicContact CG-CB 4.31Å; E114-D116 PolarHBondContact O-N 2.92Å; D116-I118 PolarHBondContact O-N 3Å
117P49.3Very low47.3Very low100 Ų100134.4 Ų134.465%0.64975%0.747SS**  trans-69.7107.1177.827.2-31.2000108.6P119P117-P119 VanDerWaalsContact O-CD 3.27Å; P117-P119 WeakPolarHBondContact O-CD 3.49Å
118I42.4Very low46.9Very low156 Ų156133.4 Ų133.480%0.875%0.748SS**  trans-51.4116.1174.2-55.1171.6000108.6D116D116-I118 PolarHBondContact O-N 3Å
119P41.6Very low46.4Very low101 Ų101131.9 Ų131.966%0.65676%0.756SS**  trans-69.7145.2-179.926.6-32.3000110.2P117 S121P117-P119 VanDerWaalsContact O-CD 3.27Å; P117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-S121 PolarHBondContact O-N 3.21Å; P119-S121 VanDerWaalsContact O-N 3.08Å
120P57.4Low46.4Very low125 Ų125131.2 Ų131.281%0.81276%0.758SS**  trans-78.4100.8177.531.9-29.6000108.3
121S40.3Very low46.1Very low102 Ų102129.4 Ų129.471%0.71376%0.758SS**  trans-153.7110.4159-94.70000114.3P119P119-S121 PolarHBondContact O-N 3.21Å; P119-S121 VanDerWaalsContact O-N 3.08Å
122V47.5Very low45.8Very low134 Ų134134.3 Ų134.381%0.81278%0.778SS**  trans69.2110.8135.2-166.60000117.7
123A45.2Very low45.3Very low83 Ų83135.9 Ų135.969%0.68678%0.78SS**  trans66.5107.2150.700000118.1
124T36.6Very low45.5Very low126 Ų126132 Ų13277%0.77377%0.774SS**  trans-142100.8136.2-66.30000108.7T126T124-T126 PolarHBondContact O-N 3.34Å
125T47.8Very low45.3Very low118 Ų118130.5 Ų130.572%0.72478%0.777SS**  trans-48.1110.1157.9-58.90000109.5
126T39.5Very low45Very low124 Ų124129.9 Ų129.976%0.76178%0.776SS**  trans-92.9103.4162.931.30000109T124 T128T124-T126 PolarHBondContact O-N 3.34Å; T126-T128 PolarHBondContact O-N 3.48Å
127N48.4Very low45.8Very low143 Ų143129.4 Ų129.477%0.76578%0.782SS**  trans-55.4115.8160.8-69.2-15.8000109.2A129N127-A129 PolarHBondContact O-N 2.91Å
128T40.9Very low45.4Very low143 Ų143130.8 Ų130.888%0.87779%0.792SS**  trans-8692.7160.443.20000108.4T126T126-T128 PolarHBondContact O-N 3.48Å
129A39.1Very low45.4Very low89 Ų89129.5 Ų129.574%0.73679%0.787SS**  trans-71.6135.6161.700000109.3N127 S131N127-A129 PolarHBondContact O-N 2.91Å; A129-S131 PolarHBondContact O-N 3.28Å
130T47.7Very low46.1Very low141 Ų141131 Ų13187%0.86580%0.795SS**  trans-48.8124.2170.446.60000111.9
131S43.5Very low45.6Very low118 Ų118129.7 Ų129.783%0.82579%0.788SS**  trans-138.7109.1158.8-1640000108.4A129 Q133A129-S131 PolarHBondContact O-N 3.28Å; S131-Q133 PolarHBondContact O-N 3.24Å
132E50.7Low46.4Very low192 Ų192130.1 Ų130.190%0.89779%0.789SS**  trans-70.3114.7175.4-55.2179130.100108.8
133Q43.2Very low46Very low191 Ų191131.6 Ų131.689%0.89379%0.792SS**  trans-158.4112.7145.6-153.3167-0.600110.5S131S131-Q133 PolarHBondContact O-N 3.24Å
134S51.7Low45.9Very low112 Ų112133.7 Ų133.778%0.78380%0.796SS**  trans-54.2141.2172.2-53.90000112.7
135T47.7Very low46.3Very low135 Ų135135.4 Ų135.483%0.82880%0.799SS**  -167.1126.9120.624.90000110.5
136E38.3Very low45.7Very low185 Ų185134.2 Ų134.286%0.86480%0.795SS**  trans77.895.4143.7-154162.9165.200120.6
137S62.8Low45.9Very low100 Ų100134.2 Ų134.270%0.69980%0.798SS**  59.495.2127.71780000119.4
138C40.6Very low45.2Very low129 Ų129133.8 Ų133.887%0.87280%0.8SS**  trans-138.183139.7-80.90000108.2T140C138-T140 PolarHBondContact O-N 2.96Å
139D43.5Very low45.2Very low129 Ų129134.2 Ų134.269%0.6980%0.802SS**  trans-73.5108.9167.2-177.122.2000109.1S141D139-S141 PolarHBondContact OD1-N 3.26Å; D139-S141 PolarHBondContact OD1-OG 3.46Å
140T55.3Low45.3Very low132 Ų132134.9 Ų134.981%0.8180%0.801SS**  trans-136.965.615750.90000108.4C138C138-T140 PolarHBondContact O-N 2.96Å
141S47.7Very low44.9Very low98 Ų98139.7 Ų139.769%0.68580%0.804SS**PPolyproline II helixtrans-73130.3166.3-550000109.6D139D139-S141 PolarHBondContact OD1-N 3.26Å; D139-S141 PolarHBondContact OD1-OG 3.46Å
142P56.5Low44.2Very low110 Ų110140 Ų14071%0.71481%0.805SS**PPolyproline II helixtrans-82.1133.3165.631.7-27.9000109.4V144P142-V144 PolarHBondContact O-N 3.3Å
143D39.1Very low43.6Very low166 Ų166136.1 Ų136.189%0.88880%0.798SS**PPolyproline II helixtrans-46.7118.8175.1-105.9-44000111.9
144V43.5Very low43.2Very low126 Ų126136.3 Ų136.376%0.76480%0.8SS**  trans-99.7104.7168.4-167.70000107.2P142 S146P142-V144 PolarHBondContact O-N 3.3Å; V144-S146 PolarHBondContact O-N 2.72Å; V144-S146 VanDerWaalsContact O-N 3.09Å
145I45.7Very low42.4Very low162 Ų162137.3 Ų137.383%0.83180%0.796SS**  trans-57113.5174.4-50.7167.8000108.1
146S35.2Very low41.5Very low94 Ų94137.7 Ų137.766%0.65779%0.792SS**  trans-118.7128.1163.9-78.50000109.3V144 T148V144-S146 PolarHBondContact O-N 2.72Å; V144-S146 VanDerWaalsContact O-N 3.09Å; S146-T148 PolarHBondContact O-N 3.36Å
147P42.4Very low41.2Very low124 Ų124133.8 Ų133.881%0.80579%0.785SS**  trans-83.1115.7-176.931-29.7000110.6
148T33.7Very low39.7Very low133 Ų133138 Ų13882%0.81679%0.794SS**  trans-98.5105170.140.10000110.5S146 S150S146-T148 PolarHBondContact O-N 3.36Å; T148-S150 PolarHBondContact O-N 2.84Å
149V41.2Very low39.2Very low152 Ų152140.9 Ų140.992%0.92179%0.794SS**  trans-71.6104.8150-96.80000107.3
150S42.3Very low39Very low103 Ų103139.7 Ų139.772%0.7279%0.794SS**  trans-152.2113159.2-165.20000109.7T148T148-S150 PolarHBondContact O-N 2.84Å
151R39.5Very low38.3Very low242 Ų242138.7 Ų138.791%0.91379%0.79SS**  trans-75.9128.2174.9-69.4-171166.9-165.3-3.6109.1
152C27Very low37.4Very low125 Ų125142.1 Ų142.185%0.84580%0.8SS**  trans-131.1121.6156.6-74.50000108.2
153S38.3Very low36.5Very low110 Ų110142.9 Ų142.977%0.76980%0.803SS**  trans-120.8164.6167-62.90000107.9
154E35.7Very low36.7Very low196 Ų196140.2 Ų140.292%0.91680%0.795SS**  trans92.4136.9179.8-51.3-177.6125.700114.5
155D33.8Very low36Very low132 Ų132139.9 Ų139.971%0.70679%0.793SS**  cis-176162.2-24.2-176.824.9000105.4
156L28.8Very low35.4Very low144 Ų144137.3 Ų137.375%0.75479%0.79SS**  trans74.8124.8166.1-60.4130.4000116.7
157S33.4Very low35.4Very low102 Ų102140.5 Ų140.571%0.71380%0.8SS**  cis-171.4136.941.635.80000112.8
158Q31Very low35Very low188 Ų188142.1 Ų142.188%0.87980%0.8SS**  trans40.1117.5139.3-66178.8-33.300122.7
159E30.5Very low34.9Very low190 Ų190143.1 Ų143.189%0.88880%0.8SS**  -168164121.3-117.9-165.363.900111.2
160P39.3Very low34.6Very low104 Ų104144.1 Ų144.168%0.67580%0.795SS**  trans-105.6170.8-131.425.6-3.5000114.4
161P39.3Very low34.3Very low112 Ų112145.6 Ų145.673%0.72780%0.799SS**  trans-97.1134.3-177.135.4-26.3000111.4
162D30.1Very low34.1Very low169 Ų169138 Ų13890%0.90479%0.788SS**  trans-148.4107152.5-84.7-44.1000109.4
163T37.2Very low34.6Very low126 Ų126138 Ų13877%0.77378%0.784SS**  trans-94.2154.2154.8-20.80000106.4
164P43.2Very low34.7Very low111 Ų111140.6 Ų140.672%0.72179%0.789SS**  -155.6164.685.540.1-20.4000117.2
165T29.1Very low34.9Very low118 Ų118141.6 Ų141.672%0.72478%0.784SS**  trans76112.9148.60.50000119.7
166S33.3Very low35Very low109 Ų109142.6 Ų142.676%0.76279%0.789SS**  169.5125.488-88.70000111.2
167D34.8Very low35.7Very low161 Ų161144.1 Ų144.186%0.86179%0.793SS**  trans-57.3132.4161.9-84.2-48.3000111.6
168L32.9Very low36.1Very low157 Ų157142 Ų14282%0.82279%0.787SS**  trans172110.9139.4-102.4161.7000110.6
169L32.7Very low37.6Very low154 Ų154139.3 Ų139.381%0.80679%0.786SS**  164.899.1117.8-103.2141.2000112.3
170E35.3Very low38.4Very low173 Ų173137.9 Ų137.981%0.80878%0.784SS**  trans-6.9123135.3-166.4175.7-175.200117.6
171T34.8Very low39.2Very low134 Ų134137.4 Ų137.482%0.82278%0.783SS**  trans-160.4120.4136.5-23.10000113.4
172A36.2Very low39.5Very low82 Ų82138.3 Ų138.368%0.67879%0.786SS**  trans29.2115.2144.800000120.4
173V36.1Very low40.8Very low125 Ų125135.7 Ų135.776%0.75878%0.779SS**  67.6118.483.8177.10000114.6
174L41.6Very low41.2Very low165 Ų165134.2 Ų134.286%0.86478%0.779SS**  trans174.185.7136.3-91.4165.1000107.9
175R40Very low41.5Very low218 Ų218142 Ų14282%0.82381%0.806SS**  55.4101.396.7-65-157.985.9-174.43.6115.3
176D35.3Very low42.1Very low152 Ų152143.3 Ų143.381%0.81381%0.81SS**  trans-50.3132156.4-179.260.7000113
177E42.8Very low42.6Very low177 Ų177145.1 Ų145.183%0.82781%0.813SS**  trans-121.6103.3170-74.5-87.5120.800107.8
178G43.1Very low43Very low57 Ų57144.2 Ų144.259%0.58881%0.81SS**PPolyproline II helixtrans-85.3154166.900000111.5
179P61.5Low43.6Very low132 Ų132143.4 Ų143.486%0.85781%0.809SS**PPolyproline II helixtrans-88.6128.1171.531.4-28.4000112
180D46.8Very low44.3Very low160 Ų160142.8 Ų142.886%0.85681%0.809SS**PPolyproline II helixtrans-65.9158.3173.8-160.25.1000112.8
181S56.2Low44.9Very low94 Ų94140.7 Ų140.766%0.65781%0.81SS**  trans-96.8178.2-170.1-66.50000114.1
182V46.8Very low45.6Very low130 Ų130141.2 Ų141.279%0.78881%0.809SS**  trans84.6154.1148.6-1420000117.4
183P57.1Low46.3Very low115 Ų115145.8 Ų145.875%0.74782%0.819SS**  cis-127.8174.2-13.49.816.5000117.3
184A44.8Very low47.2Very low94 Ų94147.5 Ų147.578%0.77782%0.824SS**  trans-61.8149.6167.100000115.7
185E50.1Low47.7Very low276 Ų276145.9 Ų145.9100%1.2982%0.82SS**  trans-128.70141.5-80.2-167.2115.100108.8

Retrieved 185 of 185 residues in 28.4 ms (Link to these results)