X5DRF9_HUMAN Loading...

NudE neurodevelopment protein 1 isoform C

AlphaFold DB , UniProt , Accession X5DRF9, Species HUMAN (Homo sapiens, Human), Gene NDE1, Length 88 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
1M41.2Very low68.5Low223 Ų223124.9 Ų124.9100%1.09970%0.698SS**  098.40-164.2163.3-179.600104.8D3M1-D3 PolarHBondContact O-N 3.31Å; M1-D3 VanDerWaalsContact O-N 3.1Å
2E42.4Very low70.6Confident184 Ų184126.3 Ų126.386%0.8669%0.694SS**  trans-73.698.6179.6-80.4175.6155.500107.9S4E2-S4 PolarHBondContact O-N 3.49Å
3D53.8Low72.4Confident158 Ų158123.3 Ų123.385%0.84567%0.673SS**  trans-77.369.7163.5-174.331.3000108.3M1 G5M1-D3 PolarHBondContact O-N 3.31Å; M1-D3 VanDerWaalsContact O-N 3.1Å; D3-G5 PolarHBondContact O-N 2.94Å
4S53Low73.8Confident96 Ų96120.4 Ų120.467%0.67165%0.652SS**  trans-9083.7172.8-65.60000107.8E2 K6E2-S4 PolarHBondContact O-N 3.49Å; S4-K6 PolarHBondContact O-N 3.44Å; S4-K6 VanDerWaalsContact O-N 3.14Å
5G58.5Low75.2Confident59 Ų59116.4 Ų116.461%0.60864%0.642SS**  trans1482.216500000116.6D3 T7D3-G5 PolarHBondContact O-N 2.94Å; G5-T7 PolarHBondContact O-N 3.47Å; G5-T7 VanDerWaalsContact O-N 3.12Å
6K66.1Low76.4Confident129 Ų129113.8 Ų113.856%0.56163%0.626SS**  trans-68.5107.6164.7-99.7175.9179.4-178.80108.3S4 F8 Y17S4-K6 PolarHBondContact O-N 3.44Å; S4-K6 VanDerWaalsContact O-N 3.14Å; K6-F8 HydrophobicContact CB-CE2 4.35Å; K6-F8 HydrophobicContact CB-CZ 4.14Å; K6-Y17 HydrophobicContact CD-CE1 4.27Å; K6-Y17 HydrophobicContact CD-CE2 4.27Å; K6-Y17 PolarHBondContact NZ-OH 3.39Å
7T80.7Confident77.5Confident136 Ų136111.2 Ų111.283%0.83461%0.606SS**  trans-86117.8169.651.80000108.6G5G5-T7 PolarHBondContact O-N 3.47Å; G5-T7 VanDerWaalsContact O-N 3.12Å
8F87.7Confident78.6Confident48 Ų48112.7 Ų112.721%0.21160%0.601CS.*  trans-86.1146.3174.6-58.3-79.3000110.4K6 S10 E13 E14 Y17K6-F8 HydrophobicContact CB-CE2 4.35Å; K6-F8 HydrophobicContact CB-CZ 4.14Å; F8-S10 VanDerWaalsContact C-N 3.33Å; F8-E13 HydrophobicContact CD1-CG 4.18Å; F8-E14 HydrophobicContact CB-CB 3.92Å; F8-E14 HydrophobicContact CD1-CB 3.96Å; F8-E14 HydrophobicContact CD2-CB 3.51Å; F8-E14 VanDerWaalsContact CD2-CD 3.41Å; F8-E14 HydrophobicContact CD2-CG 3.48Å; F8-E14 VanDerWaalsContact CD2-CG 3.48Å; F8-E14 HydrophobicContact CE1-CB 4.35Å; F8-E14 HydrophobicContact CE2-CB 3.95Å; F8-E14 HydrophobicContact CE2-CG 3.48Å; F8-E14 VanDerWaalsContact CE2-CG 3.48Å; F8-E14 HydrophobicContact CG-CB 3.51Å; F8-E14 HydrophobicContact CG-CG 4.02Å; F8-E14 HydrophobicContact CZ-CB 4.35Å; F8-E14 HydrophobicContact CZ-CG 4.02Å; F8-Y17 AromaticContact CE1-CD1 3.72Å; F8-Y17 HydrophobicContact CE1-CD1 3.72Å; F8-Y17 AromaticContact CE1-CG 3.69Å; F8-Y17 HydrophobicContact CE1-CG 3.69Å; F8-Y17 AromaticContact CZ-CD1 3.53Å; F8-Y17 HydrophobicContact CZ-CD1 3.53Å; F8-Y17 HydrophobicContact CZ-CE1 4.13Å; F8-Y17 HydrophobicContact CZ-CG 4.02Å
9S86.9Confident79.5Confident111 Ų111113.6 Ų113.678%0.77660%0.599SS**SBendtrans-80-20.1178.7-39.70000111.7E13S9-E13 WeakPolarHBondContact CA-OE2 3.37Å; S9-E13 WeakPolarHBondContact CB-OE2 3.4Å; S9-E13 PolarHBondContact N-OE2 2.76Å; S9-E13 PolarHBondContact OG-OE2 3.46Å
10S91.8Very high80.4Confident58 Ų58112.3 Ų112.341%0.40659%0.593SS.*SBendtrans-154.7160.1173.971.90000112.1F8 E12 E13 E14F8-S10 VanDerWaalsContact C-N 3.33Å; S10-E12 PolarHBondContact O-N 3.28Å; S10-E12 PolarHBondContact OG-N 3.44Å; S10-E13 WeakPolarHBondContact O-CB 3.4Å; S10-E13 PolarHBondContact O-N 3.01Å; S10-E13 PolarHBondContact OG-N 3.01Å; S10-E13 VanDerWaalsContact OG-N 3.1Å; S10-E14 PolarHBondContact O-N 3.13Å; S10-E14 VanDerWaalsContact O-N 3.13Å
11E90.9Very high81.2Confident172 Ų172108.7 Ų108.780%0.80457%0.574SS**Hα-helixtrans-60.3-30.8172.8-64.3179178.100112.1E14 A15E11-E14 PolarHBondContact O-N 3.03Å; E11-A15 WeakPolarHBondContact O-CB 3.28Å; E11-A15 PolarHBondContact O-N 3.44Å
12E94.3Very high83.9Confident141 Ų141100.9 Ų100.966%0.65954%0.544SS*.Hα-helixtrans-69-39.9176.1-175.3175.4-169.800111.8S10 E14 A15 N16S10-E12 PolarHBondContact O-N 3.28Å; S10-E12 PolarHBondContact OG-N 3.44Å; E12-E14 VanDerWaalsContact C-N 3.35Å; E12-A15 PolarHBondContact O-N 3.18Å; E12-N16 WeakPolarHBondContact O-CB 3.35Å; E12-N16 VanDerWaalsContact O-CG 3.29Å; E12-N16 PolarHBondContact O-N 3.08Å; E12-N16 PolarHBondContact O-ND2 3.5Å; E12-N16 VanDerWaalsContact O-ND2 3.08Å
13E93.8Very high86.6Confident88 Ų8896.9 Ų96.941%0.41153%0.527SS..Hα-helixtrans-63.1-43.2174.2-171.9-176-175.800110.9F8 S9 S10 N16 Y17F8-E13 HydrophobicContact CD1-CG 4.18Å; S9-E13 WeakPolarHBondContact CA-OE2 3.37Å; S9-E13 WeakPolarHBondContact CB-OE2 3.4Å; S9-E13 PolarHBondContact N-OE2 2.76Å; S9-E13 PolarHBondContact OG-OE2 3.46Å; S10-E13 WeakPolarHBondContact O-CB 3.4Å; S10-E13 PolarHBondContact O-N 3.01Å; S10-E13 PolarHBondContact OG-N 3.01Å; S10-E13 VanDerWaalsContact OG-N 3.1Å; E13-N16 PolarHBondContact O-N 3.14Å; E13-Y17 WeakPolarHBondContact O-CB 3.48Å; E13-Y17 PolarHBondContact O-N 3.29Å
14E92.6Very high88.7Confident83 Ų8393.5 Ų93.539%0.38851%0.512SS..Hα-helixtrans-61.8-48.2176.1-177.8161.2-161.900112.1F8 S10 E11 E12 N16 Y17 W18F8-E14 HydrophobicContact CB-CB 3.92Å; F8-E14 HydrophobicContact CD1-CB 3.96Å; F8-E14 HydrophobicContact CD2-CB 3.51Å; F8-E14 VanDerWaalsContact CD2-CD 3.41Å; F8-E14 HydrophobicContact CD2-CG 3.48Å; F8-E14 VanDerWaalsContact CD2-CG 3.48Å; F8-E14 HydrophobicContact CE1-CB 4.35Å; F8-E14 HydrophobicContact CE2-CB 3.95Å; F8-E14 HydrophobicContact CE2-CG 3.48Å; F8-E14 VanDerWaalsContact CE2-CG 3.48Å; F8-E14 HydrophobicContact CG-CB 3.51Å; F8-E14 HydrophobicContact CG-CG 4.02Å; F8-E14 HydrophobicContact CZ-CB 4.35Å; F8-E14 HydrophobicContact CZ-CG 4.02Å; S10-E14 PolarHBondContact O-N 3.13Å; S10-E14 VanDerWaalsContact O-N 3.13Å; E11-E14 PolarHBondContact O-N 3.03Å; E12-E14 VanDerWaalsContact C-N 3.35Å; E14-N16 PolarHBondContact O-N 2.9Å; E14-Y17 PolarHBondContact O-N 2.94Å; E14-W18 PolarHBondContact O-N 3.1Å; E14-W18 PolarHBondContact OE1-NE1 3.41Å
15A93.9Very high90.8Very high60 Ų6094.7 Ų94.750%0.49650%0.503SS..Hα-helixtrans-61.5-43.3179.900000112E11 E12 K19E11-A15 WeakPolarHBondContact O-CB 3.28Å; E11-A15 PolarHBondContact O-N 3.44Å; E12-A15 PolarHBondContact O-N 3.18Å; A15-K19 VanDerWaalsContact O-CB 3.28Å; A15-K19 WeakPolarHBondContact O-CB 3.09Å; A15-K19 PolarHBondContact O-N 2.9Å
16N95.5Very high92.7Very high74 Ų7498.1 Ų98.140%0.39650%0.501SS..Hα-helixtrans-65.5-43.4177-73.5-34.6000111.4E12 E13 E14 W18 K19 D20E12-N16 WeakPolarHBondContact O-CB 3.35Å; E12-N16 VanDerWaalsContact O-CG 3.29Å; E12-N16 PolarHBondContact O-N 3.08Å; E12-N16 PolarHBondContact O-ND2 3.5Å; E12-N16 VanDerWaalsContact O-ND2 3.08Å; E13-N16 PolarHBondContact O-N 3.14Å; E14-N16 PolarHBondContact O-N 2.9Å; N16-W18 PolarHBondContact O-N 3.49Å; N16-K19 PolarHBondContact O-N 3.29Å; N16-D20 PolarHBondContact O-N 3.28Å
17Y95.3Very high94.3Very high71 Ų7196.8 Ų96.828%0.27850%0.497SS..Hα-helixtrans-58.1-50.1177172.4-99000112.3K6 F8 E13 E14 K19 D20 L21K6-Y17 HydrophobicContact CD-CE1 4.27Å; K6-Y17 HydrophobicContact CD-CE2 4.27Å; K6-Y17 PolarHBondContact NZ-OH 3.39Å; F8-Y17 AromaticContact CE1-CD1 3.72Å; F8-Y17 HydrophobicContact CE1-CD1 3.72Å; F8-Y17 AromaticContact CE1-CG 3.69Å; F8-Y17 HydrophobicContact CE1-CG 3.69Å; F8-Y17 AromaticContact CZ-CD1 3.53Å; F8-Y17 HydrophobicContact CZ-CD1 3.53Å; F8-Y17 HydrophobicContact CZ-CE1 4.13Å; F8-Y17 HydrophobicContact CZ-CG 4.02Å; E13-Y17 WeakPolarHBondContact O-CB 3.48Å; E13-Y17 PolarHBondContact O-N 3.29Å; E14-Y17 PolarHBondContact O-N 2.94Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.87Å; Y17-D20 PolarHBondContact O-N 2.94Å; Y17-L21 HydrophobicContact CE1-CD2 4.14Å; Y17-L21 WeakPolarHBondContact O-CB 3.46Å; Y17-L21 PolarHBondContact O-N 2.79Å
18W95.8Very high95.1Very high138 Ų13898.4 Ų98.452%0.52349%0.488SS..Hα-helixtrans-67.2-33.9-179.8-73.2116.9000112.4E14 N16 L21 A22E14-W18 PolarHBondContact O-N 3.1Å; E14-W18 PolarHBondContact OE1-NE1 3.41Å; N16-W18 PolarHBondContact O-N 3.49Å; W18-L21 HydrophobicContact CE3-CD2 3.68Å; W18-L21 HydrophobicContact CZ3-CD2 3.49Å; W18-L21 VanDerWaalsContact CZ3-CD2 3.49Å; W18-A22 VanDerWaalsContact O-CB 3.24Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.47Å
19K97.2Very high95.6Very high129 Ų12999 Ų9956%0.56150%0.502SS*.Hα-helixtrans-63-48.6173.4-177.8-178.1175-173.80111.5A15 N16 Y17 L21 A22 M23A15-K19 VanDerWaalsContact O-CB 3.28Å; A15-K19 WeakPolarHBondContact O-CB 3.09Å; A15-K19 PolarHBondContact O-N 2.9Å; N16-K19 PolarHBondContact O-N 3.29Å; Y17-K19 VanDerWaalsContact C-N 3.31Å; Y17-K19 PolarHBondContact O-N 2.87Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 2.88Å; K19-A22 PolarHBondContact O-N 2.91Å; K19-M23 HydrophobicContact CG-CE 4.41Å; K19-M23 WeakPolarHBondContact O-CG 3.35Å; K19-M23 PolarHBondContact O-N 3.12Å
20D97.5Very high96.2Very high88 Ų8897.6 Ų97.647%0.47148%0.483SS..Hα-helixtrans-65.2-38.6179.1-71.6-13.4000111.6N16 Y17 M23 T24N16-D20 PolarHBondContact O-N 3.28Å; Y17-D20 PolarHBondContact O-N 2.94Å; D20-M23 PolarHBondContact O-N 2.88Å; D20-M23 VanDerWaalsContact OD1-CE 3.24Å; D20-M23 WeakPolarHBondContact OD1-CE 2.9Å; D20-T24 WeakPolarHBondContact O-CB 3.24Å; D20-T24 PolarHBondContact O-N 3.47Å; D20-T24 PolarHBondContact O-OG1 2.91Å
21L96.9Very high96.5Very high36 Ų3698.1 Ų98.119%0.18848%0.481CS..Hα-helixtrans-65.1-43.4175.2-17364.1000111.5Y17 W18 K19 T24 Y25Y17-L21 HydrophobicContact CE1-CD2 4.14Å; Y17-L21 WeakPolarHBondContact O-CB 3.46Å; Y17-L21 PolarHBondContact O-N 2.79Å; W18-L21 HydrophobicContact CE3-CD2 3.68Å; W18-L21 HydrophobicContact CZ3-CD2 3.49Å; W18-L21 VanDerWaalsContact CZ3-CD2 3.49Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 2.88Å; L21-T24 WeakPolarHBondContact O-CB 3.32Å; L21-T24 PolarHBondContact O-N 3.35Å; L21-Y25 HydrophobicContact CD1-CD2 4.13Å; L21-Y25 HydrophobicContact CD1-CE2 3.56Å; L21-Y25 HydrophobicContact CD2-CE2 3.95Å; L21-Y25 HydrophobicContact CG-CD2 3.88Å; L21-Y25 HydrophobicContact CG-CE2 3.51Å; L21-Y25 VanDerWaalsContact O-CD2 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.33Å; L21-Y25 PolarHBondContact O-N 2.91Å
22A97.7Very high96.9Very high59 Ų5993.4 Ų93.449%0.48846%0.464SS..Hα-helixtrans-63.1-42.5175.900000111.8W18 K19 T24 Y25 K26W18-A22 VanDerWaalsContact O-CB 3.24Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.47Å; K19-A22 PolarHBondContact O-N 2.91Å; A22-T24 VanDerWaalsContact C-N 3.33Å; A22-T24 PolarHBondContact O-N 3.3Å; A22-Y25 PolarHBondContact O-N 3.1Å; A22-K26 WeakPolarHBondContact O-CB 3.35Å; A22-K26 PolarHBondContact O-N 3.06Å
23M98.3Very high97.1Very high100 Ų10092.1 Ų92.149%0.49346%0.458SS..Hα-helixtrans-62.2-41.6174.4-71.6-165.5-60.400111.6K19 D20 K26 Q27K19-M23 HydrophobicContact CG-CE 4.41Å; K19-M23 WeakPolarHBondContact O-CG 3.35Å; K19-M23 PolarHBondContact O-N 3.12Å; D20-M23 PolarHBondContact O-N 2.88Å; D20-M23 VanDerWaalsContact OD1-CE 3.24Å; D20-M23 WeakPolarHBondContact OD1-CE 2.9Å; M23-K26 PolarHBondContact O-N 2.9Å; M23-Q27 PolarHBondContact O-N 3.38Å
24T98.3Very high97.3Very high88 Ų8892.6 Ų92.654%0.5446%0.46SS..Hα-helixtrans-60.8-47.4176.4-58.90000111.6D20 L21 A22 Q27 R28D20-T24 WeakPolarHBondContact O-CB 3.24Å; D20-T24 PolarHBondContact O-N 3.47Å; D20-T24 PolarHBondContact O-OG1 2.91Å; L21-T24 WeakPolarHBondContact O-CB 3.32Å; L21-T24 PolarHBondContact O-N 3.35Å; A22-T24 VanDerWaalsContact C-N 3.33Å; A22-T24 PolarHBondContact O-N 3.3Å; T24-Q27 PolarHBondContact O-N 2.96Å; T24-R28 WeakPolarHBondContact O-CB 3.24Å; T24-R28 PolarHBondContact O-N 3.46Å
25Y98.3Very high97.6Very high121 Ų12194.6 Ų94.648%0.47547%0.47SS..Hα-helixtrans-67.4-36.8178.4-75.4-48.7000112.8L21 A22 R28 A29L21-Y25 HydrophobicContact CD1-CD2 4.13Å; L21-Y25 HydrophobicContact CD1-CE2 3.56Å; L21-Y25 HydrophobicContact CD2-CE2 3.95Å; L21-Y25 HydrophobicContact CG-CD2 3.88Å; L21-Y25 HydrophobicContact CG-CE2 3.51Å; L21-Y25 VanDerWaalsContact O-CD2 3.32Å; L21-Y25 WeakPolarHBondContact O-CD2 3.33Å; L21-Y25 PolarHBondContact O-N 2.91Å; A22-Y25 PolarHBondContact O-N 3.1Å; Y25-R28 PolarHBondContact O-N 3.17Å; Y25-A29 WeakPolarHBondContact O-CB 3.32Å; Y25-A29 PolarHBondContact O-N 2.96Å
26K98.3Very high97.8Very high130 Ų13096 Ų9657%0.56547%0.469SS*.Hα-helixtrans-59-52173.5-179.2-176.7169.7-174.60110.7A22 M23 R28 A29 E30A22-K26 WeakPolarHBondContact O-CB 3.35Å; A22-K26 PolarHBondContact O-N 3.06Å; M23-K26 PolarHBondContact O-N 2.9Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 3.35Å; K26-A29 PolarHBondContact O-N 2.82Å; K26-A29 VanDerWaalsContact O-N 3.17Å; K26-E30 WeakPolarHBondContact CE-OE1 3.49Å; K26-E30 IonicContact NZ-OE1 2.82Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 3.36Å
27Q98.5Very high98Very high102 Ų10298.1 Ų98.148%0.47747%0.471SS..Hα-helixtrans-59.7-42.7179.1-172.364.256.600111.5M23 T24 A29 E30 N31M23-Q27 PolarHBondContact O-N 3.38Å; T24-Q27 PolarHBondContact O-N 2.96Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.15Å; Q27-E30 PolarHBondContact O-N 2.96Å; Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 PolarHBondContact O-N 2.99Å; Q27-N31 PolarHBondContact O-OD1 3.42Å
28R98.3Very high98.1Very high170 Ų170100.5 Ų100.564%0.64249%0.485SS*.Hα-helixtrans-62.6-42177.8-173.3175.3-179.2172.50.9111.9T24 Y25 K26 N31 T32T24-R28 WeakPolarHBondContact O-CB 3.24Å; T24-R28 PolarHBondContact O-N 3.46Å; Y25-R28 PolarHBondContact O-N 3.17Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 3.35Å; R28-N31 PolarHBondContact O-N 3.23Å; R28-T32 WeakPolarHBondContact O-CB 3.33Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 3.48Å; R28-T32 VanDerWaalsContact O-OG1 3.1Å
29A98.2Very high98.3Very high61 Ų61100.9 Ų100.950%0.50449%0.49SS..Hα-helixtrans-63.8-42.8177.400000111.5Y25 K26 Q27 Q33Y25-A29 WeakPolarHBondContact O-CB 3.32Å; Y25-A29 PolarHBondContact O-N 2.96Å; K26-A29 PolarHBondContact O-N 2.82Å; K26-A29 VanDerWaalsContact O-N 3.17Å; Q27-A29 VanDerWaalsContact C-N 3.34Å; Q27-A29 PolarHBondContact O-N 3.15Å; A29-Q33 VanDerWaalsContact O-CB 3.32Å; A29-Q33 WeakPolarHBondContact O-CB 3.38Å; A29-Q33 PolarHBondContact O-N 2.94Å
30E98.6Very high98.3Very high80 Ų80100 Ų10037%0.37449%0.488SS..Hα-helixtrans-61.8-47.5176.6-72.3171.6169.300111.4K26 Q27 Q33 E34K26-E30 WeakPolarHBondContact CE-OE1 3.49Å; K26-E30 IonicContact NZ-OE1 2.82Å; K26-E30 WeakPolarHBondContact O-CG 3.46Å; K26-E30 PolarHBondContact O-N 3.36Å; Q27-E30 PolarHBondContact O-N 2.96Å; E30-Q33 WeakPolarHBondContact O-CB 3.46Å; E30-Q33 PolarHBondContact O-N 3.02Å; E30-E34 PolarHBondContact O-N 3.1Å
31N98.6Very high98.4Very high69 Ų69101.8 Ų101.837%0.36949%0.494SS..Hα-helixtrans-61.3-48.4177.8-67.66.5000111.8Q27 R28 Q33 E34 E35Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 PolarHBondContact O-N 2.99Å; Q27-N31 PolarHBondContact O-OD1 3.42Å; R28-N31 PolarHBondContact O-N 3.23Å; N31-Q33 PolarHBondContact O-N 3.42Å; N31-E34 WeakPolarHBondContact O-CB 3.4Å; N31-E34 PolarHBondContact O-N 2.92Å; N31-E34 VanDerWaalsContact O-N 3.11Å; N31-E35 WeakPolarHBondContact O-CG 3.44Å; N31-E35 PolarHBondContact O-N 3.12Å
32T98.4Very high98.5Very high74 Ų74101.7 Ų101.745%0.45450%0.502SS..Hα-helixtrans-63.7-33178.4-62.40000111.8R28 L36R28-T32 WeakPolarHBondContact O-CB 3.33Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 3.48Å; R28-T32 VanDerWaalsContact O-OG1 3.1Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 2.97Å
33Q98.6Very high98.5Very high114 Ų114100.8 Ų100.853%0.53349%0.491SS..Hα-helixtrans-69.2-36.4175-163.1-170.5-1.800111.8A29 E30 N31 R37A29-Q33 VanDerWaalsContact O-CB 3.32Å; A29-Q33 WeakPolarHBondContact O-CB 3.38Å; A29-Q33 PolarHBondContact O-N 2.94Å; E30-Q33 WeakPolarHBondContact O-CB 3.46Å; E30-Q33 PolarHBondContact O-N 3.02Å; N31-Q33 PolarHBondContact O-N 3.42Å; Q33-R37 VanDerWaalsContact CD-NH1 3.27Å; Q33-R37 WeakPolarHBondContact O-CG 3.42Å; Q33-R37 PolarHBondContact O-N 2.98Å; Q33-R37 VanDerWaalsContact O-N 3.12Å
34E98.7Very high98.5Very high98 Ų98105.2 Ų105.246%0.45850%0.503SS..Hα-helixtrans-66.7-50.5174.4-171.5165.4-151.200111.9E30 N31 L36 R37 E38E30-E34 PolarHBondContact O-N 3.1Å; N31-E34 WeakPolarHBondContact O-CB 3.4Å; N31-E34 PolarHBondContact O-N 2.92Å; N31-E34 VanDerWaalsContact O-N 3.11Å; E34-L36 PolarHBondContact O-N 3.19Å; E34-R37 WeakPolarHBondContact O-CB 3.48Å; E34-R37 PolarHBondContact O-N 3.24Å; E34-E38 PolarHBondContact O-N 2.99Å
35E98.6Very high98.5Very high124 Ų124106.5 Ų106.558%0.57950%0.503SS*.Hα-helixtrans-54.3-41.5174.5-71.1172.3-17700111.8N31 F39N31-E35 WeakPolarHBondContact O-CG 3.44Å; N31-E35 PolarHBondContact O-N 3.12Å; E35-F39 WeakPolarHBondContact O-CB 3.22Å; E35-F39 PolarHBondContact O-N 3.08Å
36L98.6Very high98.6Very high91 Ų91107.4 Ų107.448%0.47651%0.506SS..Hα-helixtrans-64.6-40.8176.8179.462.6000112.2T32 E34 F39 Q40T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 2.97Å; E34-L36 PolarHBondContact O-N 3.19Å; L36-F39 PolarHBondContact O-N 3.03Å; L36-Q40 HydrophobicContact CD1-CG 4.25Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 VanDerWaalsContact O-CG 3.22Å; L36-Q40 WeakPolarHBondContact O-CG 3.49Å; L36-Q40 PolarHBondContact O-N 3.3Å
37R98.7Very high98.6Very high117 Ų117106.8 Ų106.844%0.44251%0.505SS..Hα-helixtrans-64-47.7177.8-77-173.4-61.4-99-0.9111Q33 E34 F39 Q40 E41Q33-R37 VanDerWaalsContact CD-NH1 3.27Å; Q33-R37 WeakPolarHBondContact O-CG 3.42Å; Q33-R37 PolarHBondContact O-N 2.98Å; Q33-R37 VanDerWaalsContact O-N 3.12Å; E34-R37 WeakPolarHBondContact O-CB 3.48Å; E34-R37 PolarHBondContact O-N 3.24Å; R37-F39 VanDerWaalsContact C-N 3.31Å; R37-F39 PolarHBondContact O-N 2.9Å; R37-Q40 PolarHBondContact O-N 3.11Å; R37-E41 PolarHBondContact O-N 3.32Å
38E98.8Very high98.6Very high121 Ų121104.2 Ų104.257%0.56550%0.501SS*.Hα-helixtrans-59.3-43.9177.5-68.3179.4174.200111.3E34 Q40 E41 G42E34-E38 PolarHBondContact O-N 2.99Å; E38-Q40 PolarHBondContact O-N 2.96Å; E38-E41 PolarHBondContact O-N 3.39Å; E38-G42 PolarHBondContact O-N 2.91Å
39F98.6Very high98.6Very high147 Ų147101.3 Ų101.365%0.64550%0.495SS*.Hα-helixtrans-62.3-41.9176.8-177.8-95.2000112.4E35 L36 R37 S43E35-F39 WeakPolarHBondContact O-CB 3.22Å; E35-F39 PolarHBondContact O-N 3.08Å; L36-F39 PolarHBondContact O-N 3.03Å; R37-F39 VanDerWaalsContact C-N 3.31Å; R37-F39 PolarHBondContact O-N 2.9Å; F39-S43 VanDerWaalsContact O-CB 3.27Å; F39-S43 WeakPolarHBondContact O-CB 3.43Å; F39-S43 PolarHBondContact O-N 2.92Å; F39-S43 PolarHBondContact O-OG 3.47Å
40Q98.7Very high98.6Very high111 Ų111102 Ų10252%0.51949%0.49SS..Hα-helixtrans-67.1-40.7178.4-75.5174.4-16.400112.4L36 R37 E38 R44L36-Q40 HydrophobicContact CD1-CG 4.25Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 VanDerWaalsContact O-CG 3.22Å; L36-Q40 WeakPolarHBondContact O-CG 3.49Å; L36-Q40 PolarHBondContact O-N 3.3Å; R37-Q40 PolarHBondContact O-N 3.11Å; E38-Q40 PolarHBondContact O-N 2.96Å; Q40-R44 WeakPolarHBondContact O-CB 3.35Å; Q40-R44 PolarHBondContact O-N 2.97Å
41E98.6Very high98.6Very high124 Ų124104.6 Ų104.658%0.57950%0.502SS*.Hα-helixtrans-64.3-51.9176.2-175.2167-16000110.8R37 E38 S43 R44 E45R37-E41 PolarHBondContact O-N 3.32Å; E38-E41 PolarHBondContact O-N 3.39Å; E41-S43 VanDerWaalsContact C-N 3.28Å; E41-S43 PolarHBondContact O-N 3.45Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.71Å; E41-R44 VanDerWaalsContact O-N 3.08Å; E41-E45 WeakPolarHBondContact O-CG 3.5Å; E41-E45 PolarHBondContact O-N 2.98Å
42G98.5Very high98.6Very high35 Ų35104.7 Ų104.736%0.36151%0.505SS..Hα-helixtrans-60.5-36.617700000113E38 Y46E38-G42 PolarHBondContact O-N 2.91Å; G42-Y46 VanDerWaalsContact O-CB 3.3Å; G42-Y46 WeakPolarHBondContact O-CB 3.46Å; G42-Y46 PolarHBondContact O-N 3.4Å
43S98.6Very high98.7Very high39 Ų39105.8 Ų105.827%0.27351%0.505SS..Hα-helixtrans-64.2-42.8174.8-620000111.7F39 E41 Y46 E47F39-S43 VanDerWaalsContact O-CB 3.27Å; F39-S43 WeakPolarHBondContact O-CB 3.43Å; F39-S43 PolarHBondContact O-N 2.92Å; F39-S43 PolarHBondContact O-OG 3.47Å; E41-S43 VanDerWaalsContact C-N 3.28Å; E41-S43 PolarHBondContact O-N 3.45Å; S43-Y46 PolarHBondContact O-N 3.32Å; S43-E47 WeakPolarHBondContact O-CB 3.27Å; S43-E47 VanDerWaalsContact O-CG 3.32Å; S43-E47 WeakPolarHBondContact O-CG 3.43Å; S43-E47 PolarHBondContact O-N 2.98Å
44R98.6Very high98.7Very high194 Ų194105 Ų10573%0.73250%0.504SS*.Hα-helixtrans-65.2-43.6178.2177.4-178.3-74.9-156.4-3111.9Q40 E41 Y46 E47 A48Q40-R44 WeakPolarHBondContact O-CB 3.35Å; Q40-R44 PolarHBondContact O-N 2.97Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.71Å; E41-R44 VanDerWaalsContact O-N 3.08Å; R44-Y46 VanDerWaalsContact C-N 3.34Å; R44-E47 PolarHBondContact O-N 3.02Å; R44-A48 PolarHBondContact O-N 3.03Å
45E98.8Very high98.7Very high115 Ų115106.5 Ų106.554%0.53751%0.511SS..Hα-helixtrans-61.4-46177.1-70-178161.900110.8E41 E47 A48 E49E41-E45 WeakPolarHBondContact O-CG 3.5Å; E41-E45 PolarHBondContact O-N 2.98Å; E45-E47 PolarHBondContact O-N 2.86Å; E45-A48 PolarHBondContact O-N 2.91Å; E45-E49 WeakPolarHBondContact O-CG 3.32Å; E45-E49 PolarHBondContact O-N 2.92Å
46Y98.6Very high98.7Very high139 Ų139106.6 Ų106.655%0.54551%0.512SS..Hα-helixtrans-62.6-42.2177.9-174.7-112000112.9G42 S43 R44 A48 E49 L50G42-Y46 VanDerWaalsContact O-CB 3.3Å; G42-Y46 WeakPolarHBondContact O-CB 3.46Å; G42-Y46 PolarHBondContact O-N 3.4Å; S43-Y46 PolarHBondContact O-N 3.32Å; R44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-A48 PolarHBondContact O-N 3.19Å; Y46-E49 PolarHBondContact O-N 3.43Å; Y46-L50 HydrophobicContact CD1-CD1 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.5Å; Y46-L50 HydrophobicContact CE1-CG 4.17Å; Y46-L50 WeakPolarHBondContact O-CG 3.41Å; Y46-L50 PolarHBondContact O-N 2.77Å
47E98.7Very high98.7Very high117 Ų117107.5 Ų107.555%0.54752%0.516SS..Hα-helixtrans-59.5-45.4173.6-77.1173.5-178.600111.5S43 R44 E45 E49 L50 E51S43-E47 WeakPolarHBondContact O-CB 3.27Å; S43-E47 VanDerWaalsContact O-CG 3.32Å; S43-E47 WeakPolarHBondContact O-CG 3.43Å; S43-E47 PolarHBondContact O-N 2.98Å; R44-E47 PolarHBondContact O-N 3.02Å; E45-E47 PolarHBondContact O-N 2.86Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3Å; E47-L50 PolarHBondContact O-N 3.5Å; E47-E51 WeakPolarHBondContact O-CG 3.44Å; E47-E51 PolarHBondContact O-N 3.22Å
48A98.6Very high98.7Very high48 Ų48106.9 Ų106.940%0.39752%0.518SS..Hα-helixtrans-63.2-36.9178.200000112.7R44 E45 Y46 T52R44-A48 PolarHBondContact O-N 3.03Å; E45-A48 PolarHBondContact O-N 2.91Å; Y46-A48 PolarHBondContact O-N 3.19Å; A48-T52 WeakPolarHBondContact O-CB 3.3Å; A48-T52 PolarHBondContact O-N 3.47Å; A48-T52 PolarHBondContact O-OG1 3.44Å
49E98.8Very high98.7Very high110 Ų110103.8 Ų103.851%0.51451%0.508SS..Hα-helixtrans-64.1-44.1173.2-73-177.117700112E45 Y46 E47 T52 Q53E45-E49 WeakPolarHBondContact O-CG 3.32Å; E45-E49 PolarHBondContact O-N 2.92Å; Y46-E49 PolarHBondContact O-N 3.43Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3Å; E49-T52 PolarHBondContact O-N 3.5Å; E49-Q53 WeakPolarHBondContact O-CG 3.48Å; E49-Q53 PolarHBondContact O-N 3.02Å
50L98.7Very high98.7Very high76 Ų76105.2 Ų105.240%0.39851%0.509SS..Hα-helixtrans-63.8-43.5177.3-74178000111.9Y46 E47 T52 Q53 L54Y46-L50 HydrophobicContact CD1-CD1 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.5Å; Y46-L50 HydrophobicContact CE1-CG 4.17Å; Y46-L50 WeakPolarHBondContact O-CG 3.41Å; Y46-L50 PolarHBondContact O-N 2.77Å; E47-L50 PolarHBondContact O-N 3.5Å; L50-T52 VanDerWaalsContact C-N 3.31Å; L50-T52 PolarHBondContact O-N 3.28Å; L50-Q53 PolarHBondContact O-N 3.46Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 3.4Å
51E98.8Very high98.7Very high134 Ų134104.2 Ų104.263%0.62651%0.507SS*.Hα-helixtrans-60.3-42.8175.6-74.3-179.1170.900111.5E47 Q53 L54 Q55E47-E51 WeakPolarHBondContact O-CG 3.44Å; E47-E51 PolarHBondContact O-N 3.22Å; E51-Q53 PolarHBondContact O-N 3.34Å; E51-L54 PolarHBondContact O-N 2.92Å; E51-Q55 WeakPolarHBondContact O-CB 3.45Å; E51-Q55 PolarHBondContact O-N 3.33Å
52T98.7Very high98.7Very high70 Ų70106 Ų10643%0.42951%0.508SS..Hα-helixtrans-61.4-46176.3-61.80000111.3A48 E49 L50 Q55 Q56A48-T52 WeakPolarHBondContact O-CB 3.3Å; A48-T52 PolarHBondContact O-N 3.47Å; A48-T52 PolarHBondContact O-OG1 3.44Å; E49-T52 PolarHBondContact O-N 3.5Å; L50-T52 VanDerWaalsContact C-N 3.31Å; L50-T52 PolarHBondContact O-N 3.28Å; T52-Q55 PolarHBondContact O-N 2.89Å; T52-Q56 VanDerWaalsContact O-CG 3.3Å; T52-Q56 WeakPolarHBondContact O-CG 3.3Å; T52-Q56 PolarHBondContact O-N 2.97Å
53Q98.8Very high98.7Very high97 Ų97109 Ų10945%0.45352%0.516SS..Hα-helixtrans-63-42.8177.6-71.8175.444.600111.7E49 L50 E51 Q56 I57E49-Q53 WeakPolarHBondContact O-CG 3.48Å; E49-Q53 PolarHBondContact O-N 3.02Å; L50-Q53 PolarHBondContact O-N 3.46Å; E51-Q53 PolarHBondContact O-N 3.34Å; Q53-Q56 PolarHBondContact O-N 3.02Å; Q53-I57 WeakPolarHBondContact O-CG1 3.43Å; Q53-I57 PolarHBondContact O-N 3.16Å
54L98.8Very high98.7Very high98 Ų98112.2 Ų112.251%0.51353%0.529SS..Hα-helixtrans-59.9-49.2176.9-177.463.8000110.8L50 E51 Q56 I57 E58L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 3.4Å; E51-L54 PolarHBondContact O-N 2.92Å; L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 PolarHBondContact O-N 2.97Å; L54-I57 PolarHBondContact O-N 3.31Å; L54-I57 VanDerWaalsContact O-N 3.15Å; L54-E58 HydrophobicContact CD1-CG 4.39Å; L54-E58 HydrophobicContact CG-CG 4.47Å; L54-E58 WeakPolarHBondContact O-CG 3.35Å; L54-E58 PolarHBondContact O-N 3.32Å
55Q98.8Very high98.7Very high130 Ų130107.6 Ų107.661%0.60752%0.519SS*.Hα-helixtrans-59.5-40.6178.7-174-179.42.700112.2E51 T52 T59E51-Q55 WeakPolarHBondContact O-CB 3.45Å; E51-Q55 PolarHBondContact O-N 3.33Å; T52-Q55 PolarHBondContact O-N 2.89Å; Q55-T59 WeakPolarHBondContact O-CB 3.44Å; Q55-T59 PolarHBondContact O-N 3.47Å; Q55-T59 PolarHBondContact O-OG1 3.33Å
56Q98.7Very high98.7Very high126 Ų126105.9 Ų105.959%0.58952%0.52SS*.Hα-helixtrans-63-45.3176-73.7175.54.200111.6T52 Q53 L54 T59 R60T52-Q56 VanDerWaalsContact O-CG 3.3Å; T52-Q56 WeakPolarHBondContact O-CG 3.3Å; T52-Q56 PolarHBondContact O-N 2.97Å; Q53-Q56 PolarHBondContact O-N 3.02Å; L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 PolarHBondContact O-N 2.97Å; Q56-T59 PolarHBondContact O-N 3.42Å; Q56-R60 WeakPolarHBondContact O-CB 3.39Å; Q56-R60 PolarHBondContact O-N 3.15Å
57I98.6Very high98.7Very high110 Ų110102.9 Ų102.956%0.56451%0.51SS*.Hα-helixtrans-64.8-45.2179.1-70.3165.7000110.9Q53 L54 T59 R60 N61Q53-I57 WeakPolarHBondContact O-CG1 3.43Å; Q53-I57 PolarHBondContact O-N 3.16Å; L54-I57 PolarHBondContact O-N 3.31Å; L54-I57 VanDerWaalsContact O-N 3.15Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 2.97Å; I57-R60 PolarHBondContact O-N 3Å; I57-N61 WeakPolarHBondContact O-CB 3.38Å; I57-N61 PolarHBondContact O-N 2.98Å
58E98.7Very high98.6Very high103 Ų103100.6 Ų100.648%0.48150%0.502SS..Hα-helixtrans-61.1-42.9177.2-73.8-175.7164.400112L54 N61 R62L54-E58 HydrophobicContact CD1-CG 4.39Å; L54-E58 HydrophobicContact CG-CG 4.47Å; L54-E58 WeakPolarHBondContact O-CG 3.35Å; L54-E58 PolarHBondContact O-N 3.32Å; E58-N61 PolarHBondContact O-N 3.33Å; E58-R62 PolarHBondContact O-N 2.97Å
59T98.6Very high98.6Very high57 Ų57102.5 Ų102.535%0.3551%0.506SS..Hα-helixtrans-61.3-49.6176.3-590000110.6Q55 Q56 I57 N61 R62 D63Q55-T59 WeakPolarHBondContact O-CB 3.44Å; Q55-T59 PolarHBondContact O-N 3.47Å; Q55-T59 PolarHBondContact O-OG1 3.33Å; Q56-T59 PolarHBondContact O-N 3.42Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 2.97Å; T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 2.87Å; T59-R62 WeakPolarHBondContact O-CB 3.4Å; T59-R62 PolarHBondContact O-N 2.89Å; T59-R62 VanDerWaalsContact O-N 3.16Å; T59-D63 PolarHBondContact O-N 3.34Å
60R98.6Very high98.6Very high177 Ų177102.1 Ų102.167%0.66850%0.5SS*.Hα-helixtrans-59.2-39.6177.1-177.7176.3-179.5162.21.3112.3Q56 I57 D63 L64Q56-R60 WeakPolarHBondContact O-CB 3.39Å; Q56-R60 PolarHBondContact O-N 3.15Å; I57-R60 PolarHBondContact O-N 3Å; R60-D63 PolarHBondContact O-N 2.94Å; R60-L64 HydrophobicContact CG-CD1 4.16Å; R60-L64 WeakPolarHBondContact O-CB 3.32Å; R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.3Å; R60-L64 PolarHBondContact O-N 2.92Å
61N98.6Very high98.6Very high89 Ų89102.4 Ų102.448%0.47650%0.501SS..Hα-helixtrans-64-45.8177.7-167.2-47000110.9I57 E58 T59 D63 L64 L65I57-N61 WeakPolarHBondContact O-CB 3.38Å; I57-N61 PolarHBondContact O-N 2.98Å; E58-N61 PolarHBondContact O-N 3.33Å; T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 2.87Å; N61-D63 VanDerWaalsContact C-N 3.33Å; N61-D63 PolarHBondContact O-N 3.24Å; N61-L64 PolarHBondContact O-N 3.3Å; N61-L65 WeakPolarHBondContact O-CG 3.49Å; N61-L65 PolarHBondContact O-N 2.93Å; N61-L65 VanDerWaalsContact OD1-CD1 3.3Å; N61-L65 WeakPolarHBondContact OD1-CD1 3.37Å
62R98.7Very high98.6Very high161 Ų161103.6 Ų103.661%0.60850%0.5SS*.Hα-helixtrans-58-45.1175.6-174.4-176.9-64135.22.8111.9E58 T59 L65 S66E58-R62 PolarHBondContact O-N 2.97Å; T59-R62 WeakPolarHBondContact O-CB 3.4Å; T59-R62 PolarHBondContact O-N 2.89Å; T59-R62 VanDerWaalsContact O-N 3.16Å; R62-L65 PolarHBondContact O-N 3.28Å; R62-S66 WeakPolarHBondContact O-CB 3.3Å; R62-S66 PolarHBondContact O-N 2.9Å
63D98.6Very high98.5Very high99 Ų99106.2 Ų106.253%0.52951%0.509SS..Hα-helixtrans-62.9-45.2178.8-66.2-19.1000111.2T59 R60 N61 L65 S66 E67T59-D63 PolarHBondContact O-N 3.34Å; R60-D63 PolarHBondContact O-N 2.94Å; N61-D63 VanDerWaalsContact C-N 3.33Å; N61-D63 PolarHBondContact O-N 3.24Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.48Å; D63-S66 WeakPolarHBondContact O-CB 3.46Å; D63-S66 PolarHBondContact O-N 3.27Å; D63-E67 WeakPolarHBondContact O-CB 3.48Å; D63-E67 PolarHBondContact O-N 3.26Å
64L98.6Very high98.4Very high106 Ų106105.6 Ų105.656%0.55551%0.506SS*.Hα-helixtrans-62.2-39.3176.1-74171.6000112.5R60 N61 N68R60-L64 HydrophobicContact CG-CD1 4.16Å; R60-L64 WeakPolarHBondContact O-CB 3.32Å; R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.3Å; R60-L64 PolarHBondContact O-N 2.92Å; N61-L64 PolarHBondContact O-N 3.3Å; L64-N68 VanDerWaalsContact O-CB 3.31Å; L64-N68 WeakPolarHBondContact O-CB 3.49Å; L64-N68 PolarHBondContact O-N 2.78Å
65L98.6Very high98.4Very high98 Ų98105 Ų10551%0.51350%0.503SS..Hα-helixtrans-66.4-43.1175.9-74.6172.3000111.8N61 R62 D63 E67 N68 N69N61-L65 WeakPolarHBondContact O-CG 3.49Å; N61-L65 PolarHBondContact O-N 2.93Å; N61-L65 VanDerWaalsContact OD1-CD1 3.3Å; N61-L65 WeakPolarHBondContact OD1-CD1 3.37Å; R62-L65 PolarHBondContact O-N 3.28Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.48Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-N68 PolarHBondContact O-N 3.44Å; L65-N69 PolarHBondContact O-N 3.31Å; L65-N69 PolarHBondContact O-ND2 3.14Å
66S98.4Very high98.3Very high79 Ų79103.2 Ų103.255%0.55249%0.494SS*.Hα-helixtrans-58.6-47.8175.2-174.80000110.9R62 D63 N68 N69 R70R62-S66 WeakPolarHBondContact O-CB 3.3Å; R62-S66 PolarHBondContact O-N 2.9Å; D63-S66 WeakPolarHBondContact O-CB 3.46Å; D63-S66 PolarHBondContact O-N 3.27Å; S66-N68 PolarHBondContact O-N 2.99Å; S66-N69 PolarHBondContact O-N 3.41Å; S66-R70 PolarHBondContact O-N 3.43Å
67E98.5Very high98.2Very high75 Ų75100.8 Ų100.835%0.3549%0.488SS..Hα-helixtrans-64.3-41.2178.2-178.159.3-169.500112D63 L65 N69 R70 L71D63-E67 WeakPolarHBondContact O-CB 3.48Å; D63-E67 PolarHBondContact O-N 3.26Å; L65-E67 VanDerWaalsContact C-N 3.33Å; E67-N69 VanDerWaalsContact C-N 3.31Å; E67-N69 PolarHBondContact O-N 2.95Å; E67-R70 WeakPolarHBondContact O-CB 3.31Å; E67-R70 PolarHBondContact O-N 3.26Å; E67-R70 IonicContact OE1-CZ 3.7Å; E67-R70 IonicContact OE1-NE 2.63Å; E67-R70 IonicContact OE1-NH2 3.5Å; E67-R70 PolarHBondContact OE1-NH2 2.61Å; E67-R70 IonicContact OE2-CZ 3.83Å; E67-R70 IonicContact OE2-NE 3.34Å; E67-R70 PolarHBondContact OE2-NE 3.39Å; E67-R70 IonicContact OE2-NH2 2.61Å; E67-R70 PolarHBondContact OE2-NH2 3.34Å; E67-L71 HydrophobicContact CG-CD1 4.22Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 2.63Å
68N98.4Very high98Very high69 Ų69100.3 Ų100.337%0.36949%0.486SS..Hα-helixtrans-59.6-43.4175-165.1-97.5000111.7L64 L65 S66 L71 R72L64-N68 VanDerWaalsContact O-CB 3.31Å; L64-N68 WeakPolarHBondContact O-CB 3.49Å; L64-N68 PolarHBondContact O-N 2.78Å; L65-N68 PolarHBondContact O-N 3.44Å; S66-N68 PolarHBondContact O-N 2.99Å; N68-L71 PolarHBondContact O-N 3.36Å; N68-R72 VanDerWaalsContact O-CG 3.29Å; N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 2.99Å; N68-R72 PolarHBondContact OD1-NE 3.33Å; N68-R72 PolarHBondContact OD1-NH2 3.47Å
69N98.4Very high97.9Very high89 Ų89100.9 Ų100.948%0.47649%0.487SS..Hα-helixtrans-65.6-41.9177.6-72.3-28.5000111.9L65 S66 E67 R72 M73L65-N69 PolarHBondContact O-N 3.31Å; L65-N69 PolarHBondContact O-ND2 3.14Å; S66-N69 PolarHBondContact O-N 3.41Å; E67-N69 VanDerWaalsContact C-N 3.31Å; E67-N69 PolarHBondContact O-N 2.95Å; N69-R72 PolarHBondContact O-N 3.37Å; N69-M73 WeakPolarHBondContact O-CG 3.29Å; N69-M73 PolarHBondContact O-N 3.02Å
70R98.4Very high97.6Very high102 Ų102105.8 Ų105.839%0.38550%0.499SS..Hα-helixtrans-56.8-52.3174.5-173-176.471.886.7-4111.2S66 E67 R72 M73 E74S66-R70 PolarHBondContact O-N 3.43Å; E67-R70 WeakPolarHBondContact O-CB 3.31Å; E67-R70 PolarHBondContact O-N 3.26Å; E67-R70 IonicContact OE1-CZ 3.7Å; E67-R70 IonicContact OE1-NE 2.63Å; E67-R70 IonicContact OE1-NH2 3.5Å; E67-R70 PolarHBondContact OE1-NH2 2.61Å; E67-R70 IonicContact OE2-CZ 3.83Å; E67-R70 IonicContact OE2-NE 3.34Å; E67-R70 PolarHBondContact OE2-NE 3.39Å; E67-R70 IonicContact OE2-NH2 2.61Å; E67-R70 PolarHBondContact OE2-NH2 3.34Å; R70-R72 VanDerWaalsContact C-N 3.32Å; R70-R72 PolarHBondContact O-N 3.33Å; R70-M73 PolarHBondContact O-N 3.05Å; R70-M73 VanDerWaalsContact O-N 3.14Å; R70-E74 IonicContact CZ-OE1 3.58Å; R70-E74 VanDerWaalsContact NH1-CD 3.32Å; R70-E74 IonicContact NH1-OE1 2.8Å; R70-E74 PolarHBondContact NH1-OE1 2.97Å; R70-E74 IonicContact NH1-OE2 3.48Å; R70-E74 PolarHBondContact NH1-OE2 2.86Å; R70-E74 PolarHBondContact O-N 2.98Å
71L98.1Very high97.3Very high82 Ų82103.2 Ų103.243%0.42949%0.494SS..Hα-helixtrans-61.5-38.6179.7-68.3172.3000112.2E67 N68 E74 L75E67-L71 HydrophobicContact CG-CD1 4.22Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 2.63Å; N68-L71 PolarHBondContact O-N 3.36Å; L71-E74 PolarHBondContact O-N 3.17Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.33Å; L71-L75 PolarHBondContact O-N 3.46Å
72R98.1Very high96.8Very high159 Ų159102.5 Ų102.560%0.649%0.49SS*.Hα-helixtrans-60.9-44.4174-75.5176.6-172.2-140.33.3112N68 N69 R70 L75 E76N68-R72 VanDerWaalsContact O-CG 3.29Å; N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 2.99Å; N68-R72 PolarHBondContact OD1-NE 3.33Å; N68-R72 PolarHBondContact OD1-NH2 3.47Å; N69-R72 PolarHBondContact O-N 3.37Å; R70-R72 VanDerWaalsContact C-N 3.32Å; R70-R72 PolarHBondContact O-N 3.33Å; R72-L75 PolarHBondContact O-N 2.82Å; R72-E76 WeakPolarHBondContact O-CG 3.44Å; R72-E76 PolarHBondContact O-N 3.45Å
73M97.6Very high96.3Very high125 Ų12599.7 Ų99.762%0.61648%0.484SS*.Hα-helixtrans-65.4-40178.4-70.4-174.4-65.200112.5N69 R70 E76 T77N69-M73 WeakPolarHBondContact O-CG 3.29Å; N69-M73 PolarHBondContact O-N 3.02Å; R70-M73 PolarHBondContact O-N 3.05Å; R70-M73 VanDerWaalsContact O-N 3.14Å; M73-E76 PolarHBondContact O-N 3.37Å; M73-T77 WeakPolarHBondContact O-CB 3.37Å; M73-T77 PolarHBondContact O-N 3.12Å; M73-T77 PolarHBondContact O-OG1 2.96Å
74E97.4Very high95.8Very high84 Ų8498.9 Ų98.939%0.39348%0.482SS..Hα-helixtrans-61.2-46.3174.6-73.8176.8-176.600111R70 L71 E76 T77 I78R70-E74 IonicContact CZ-OE1 3.58Å; R70-E74 VanDerWaalsContact NH1-CD 3.32Å; R70-E74 IonicContact NH1-OE1 2.8Å; R70-E74 PolarHBondContact NH1-OE1 2.97Å; R70-E74 IonicContact NH1-OE2 3.48Å; R70-E74 PolarHBondContact NH1-OE2 2.86Å; R70-E74 PolarHBondContact O-N 2.98Å; L71-E74 PolarHBondContact O-N 3.17Å; E74-E76 PolarHBondContact O-N 2.84Å; E74-T77 WeakPolarHBondContact O-CB 3.28Å; E74-T77 PolarHBondContact O-N 2.98Å; E74-T77 VanDerWaalsContact O-N 3.12Å; E74-I78 WeakPolarHBondContact O-CG1 3.45Å; E74-I78 PolarHBondContact O-N 3.26Å
75L97.3Very high95.2Very high86 Ų8696.6 Ų96.645%0.4548%0.475SS..Hα-helixtrans-60.8-45.1178.1-166.4164.2000111.7L71 R72 T77 I78 K79L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.33Å; L71-L75 PolarHBondContact O-N 3.46Å; R72-L75 PolarHBondContact O-N 2.82Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.41Å; L75-I78 PolarHBondContact O-N 2.93Å; L75-K79 HydrophobicContact CD2-CD 3.59Å; L75-K79 HydrophobicContact CD2-CG 4.04Å; L75-K79 WeakPolarHBondContact O-CG 3.26Å; L75-K79 PolarHBondContact O-N 3.01Å
76E96.9Very high94.6Very high92 Ų92102 Ų10243%0.4349%0.489SS..Hα-helixtrans-66-30.4175.5-70.2-52.3124.600112.9R72 M73 E74 K79 R80R72-E76 WeakPolarHBondContact O-CG 3.44Å; R72-E76 PolarHBondContact O-N 3.45Å; M73-E76 PolarHBondContact O-N 3.37Å; E74-E76 PolarHBondContact O-N 2.84Å; E76-K79 IonicContact OE1-NZ 3.36Å; E76-K79 PolarHBondContact OE1-NZ 3.09Å; E76-R80 WeakPolarHBondContact O-CB 3.43Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.34Å; E76-R80 PolarHBondContact O-N 3.28Å; E76-R80 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NE 3.01Å
77T96.4Very high93.8Very high74 Ų74107.3 Ų107.345%0.45450%0.496SS..Hα-helixtrans-70.3-44.4175.1-60.10000111.5M73 E74 L75 R80 H81M73-T77 WeakPolarHBondContact O-CB 3.37Å; M73-T77 PolarHBondContact O-N 3.12Å; M73-T77 PolarHBondContact O-OG1 2.96Å; E74-T77 WeakPolarHBondContact O-CB 3.28Å; E74-T77 PolarHBondContact O-N 2.98Å; E74-T77 VanDerWaalsContact O-N 3.12Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.41Å; T77-R80 PolarHBondContact O-N 3.33Å; T77-R80 PolarHBondContact OG1-NH2 2.94Å; T77-R80 VanDerWaalsContact OG1-NH2 3.17Å; T77-H81 PolarHBondContact O-N 2.89Å
78I95.9Very high92.1Very high101 Ų101113.1 Ų113.152%0.51853%0.529SS..Hα-helixtrans-62.1-48.7175.5-66.1165.1000110.5E74 L75 R80 H81 D82E74-I78 WeakPolarHBondContact O-CG1 3.45Å; E74-I78 PolarHBondContact O-N 3.26Å; L75-I78 PolarHBondContact O-N 2.93Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 2.98Å; I78-H81 WeakPolarHBondContact O-CB 3.42Å; I78-H81 PolarHBondContact O-N 3.37Å; I78-H81 VanDerWaalsContact O-N 3.12Å; I78-D82 PolarHBondContact O-N 3.41Å
79K95.4Very high91.8Very high114 Ų114115.3 Ų115.350%0.49654%0.537SS..Hα-helixtrans-55-43.4176.4-79.5175.8175.41620112.7L75 E76 H83L75-K79 HydrophobicContact CD2-CD 3.59Å; L75-K79 HydrophobicContact CD2-CG 4.04Å; L75-K79 WeakPolarHBondContact O-CG 3.26Å; L75-K79 PolarHBondContact O-N 3.01Å; E76-K79 IonicContact OE1-NZ 3.36Å; E76-K79 PolarHBondContact OE1-NZ 3.09Å; K79-H83 WeakPolarHBondContact O-CB 3.34Å; K79-H83 PolarHBondContact O-N 3.36Å
80R92.8Very high91.5Very high161 Ų161116.7 Ų116.761%0.60854%0.54SS*.Hα-helixtrans-63.4-45.8177.5-78.3-177.2-65.3-1793.7111.4E76 T77 I78 H83 V84E76-R80 WeakPolarHBondContact O-CB 3.43Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.34Å; E76-R80 PolarHBondContact O-N 3.28Å; E76-R80 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NE 3.01Å; T77-R80 PolarHBondContact O-N 3.33Å; T77-R80 PolarHBondContact OG1-NH2 2.94Å; T77-R80 VanDerWaalsContact OG1-NH2 3.17Å; I78-R80 VanDerWaalsContact C-N 3.29Å; I78-R80 PolarHBondContact O-N 2.98Å; R80-H83 PolarHBondContact O-N 2.8Å; R80-V84 WeakPolarHBondContact O-CG2 3.38Å; R80-V84 PolarHBondContact O-N 3.12Å
81H91.8Very high91.1Very high122 Ų122117.5 Ų117.557%0.56555%0.549SS*.Hα-helixtrans-60.5-46.4177.4175.6-87.3000112T77 I78 H83 V84 S85T77-H81 PolarHBondContact O-N 2.89Å; I78-H81 WeakPolarHBondContact O-CB 3.42Å; I78-H81 PolarHBondContact O-N 3.37Å; I78-H81 VanDerWaalsContact O-N 3.12Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 3.14Å; H81-V84 PolarHBondContact O-N 3.31Å; H81-S85 PolarHBondContact CE1-OG 3.39Å; H81-S85 WeakPolarHBondContact O-CB 3.4Å; H81-S85 PolarHBondContact O-N 3.32Å; H81-S85 PolarHBondContact O-OG 3.4Å
82D89.4Confident90.7Very high74 Ų74119.6 Ų119.640%0.39656%0.556SS.*Hα-helixtrans-62.4-41.4178.1-75.90.5000111.7I78 S85 R86I78-D82 PolarHBondContact O-N 3.41Å; D82-S85 PolarHBondContact O-N 2.91Å; D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 3.12Å
83H87.6Confident90.2Very high102 Ų102117.1 Ų117.147%0.47255%0.553SS.*Hα-helixtrans-66.5-38.1178.2-169.366.9000112.8K79 R80 H81 R87K79-H83 WeakPolarHBondContact O-CB 3.34Å; K79-H83 PolarHBondContact O-N 3.36Å; R80-H83 PolarHBondContact O-N 2.8Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 3.14Å; H83-R87 PolarHBondContact NE2-NE 3.47Å; H83-R87 VanDerWaalsContact NE2-NE 3.14Å; H83-R87 PolarHBondContact NE2-NH2 3.02Å; H83-R87 VanDerWaalsContact NE2-NH2 3.12Å; H83-R87 WeakPolarHBondContact O-CG 3.34Å
84V87.4Confident89.7Confident83 Ų83116.6 Ų116.650%0.50355%0.549SS..Hα-helixtrans-67.1-46173.7171.50000110.5R80 H81 R86 R87 L88R80-V84 WeakPolarHBondContact O-CG2 3.38Å; R80-V84 PolarHBondContact O-N 3.12Å; H81-V84 PolarHBondContact O-N 3.31Å; V84-R86 VanDerWaalsContact C-N 3.27Å; V84-R86 PolarHBondContact O-N 3.45Å; V84-R87 PolarHBondContact O-N 2.89Å; V84-L88 HydrophobicContact CG1-CD1 4.26Å; V84-L88 PolarHBondContact O-N 3.37Å
85S86.4Confident89.2Confident57 Ų57118.9 Ų118.940%0.39956%0.56SS.*Hα-helixtrans-61.7-33.7-179.9-61.30000112.8H81 D82 R87H81-S85 PolarHBondContact CE1-OG 3.39Å; H81-S85 WeakPolarHBondContact O-CB 3.4Å; H81-S85 PolarHBondContact O-N 3.32Å; H81-S85 PolarHBondContact O-OG 3.4Å; D82-S85 PolarHBondContact O-N 2.91Å; S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3Å
86R86.2Confident88.5Confident212 Ų212121.5 Ų121.580%0.857%0.568SS**THydrogen-bonded Turntrans-75.6-12.7175.6-73179.9-171.9-169.64.1114.4D82 V84D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 3.12Å; V84-R86 VanDerWaalsContact C-N 3.27Å; V84-R86 PolarHBondContact O-N 3.45Å
87R81.4Confident87.8Confident190 Ų190123.9 Ų123.972%0.71758%0.58SS**THydrogen-bonded Turntrans-97.8-13.6-179.6-76.8178.4170.8-156.9-2.9113.4H83 V84 S85H83-R87 PolarHBondContact NE2-NE 3.47Å; H83-R87 VanDerWaalsContact NE2-NE 3.14Å; H83-R87 PolarHBondContact NE2-NH2 3.02Å; H83-R87 VanDerWaalsContact NE2-NH2 3.12Å; H83-R87 WeakPolarHBondContact O-CG 3.34Å; V84-R87 PolarHBondContact O-N 2.89Å; S85-R87 VanDerWaalsContact C-N 3.29Å; S85-R87 PolarHBondContact O-N 3Å
88L63.2Low87Confident197 Ų197128.5 Ų128.5100%1.03159%0.591SS**  trans-93.70173.8-67.2171.9000109.9V84V84-L88 HydrophobicContact CG1-CD1 4.26Å; V84-L88 PolarHBondContact O-N 3.37Å

Retrieved 88 of 88 residues in 17.5 ms (Link to these results)

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