A0A077ZA91_TRITR Loading...

Protein arginine N-methyltransferase 6

AlphaFold DB , UniProt , Accession A0A077ZA91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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
1M53.9Low64.9Low207 Ų207139.4 Ų139.4100%1.0265%0.647SS**  0121.70-75.2-177.4-163.400108.1
2N66.6Low64.9Low101 Ų101132 Ų13254%0.5462%0.623SS.*  trans-84.8144.8-176-161.8-7.3000110.6L4 E5 T6N2-L4 PolarHBondContact O-N 3.27Å; N2-L4 VanDerWaalsContact O-N 3.14Å; N2-E5 PolarHBondContact N-OE2 3.47Å; N2-E5 WeakPolarHBondContact O-CB 3.49Å; N2-E5 PolarHBondContact O-N 2.86Å; N2-T6 PolarHBondContact O-N 3.47Å; N2-T6 PolarHBondContact O-OG1 3.11Å
3S74.4Confident65.1Low93 Ų93126.4 Ų126.465%0.6561%0.612SS**Hα-helixtrans-54.2-33.7-176.91710000113.2T6 K7S3-T6 PolarHBondContact O-N 3.12Å; S3-T6 PolarHBondContact O-OG1 3.05Å; S3-K7 PolarHBondContact O-N 2.95Å
4L65.7Low64.9Low129 Ų129129.6 Ų129.668%0.67562%0.622SS**Hα-helixtrans-64.9-44.9176.1-77.4150.2000112.7N2 T6 K7 H8N2-L4 PolarHBondContact O-N 3.27Å; N2-L4 VanDerWaalsContact O-N 3.14Å; L4-T6 VanDerWaalsContact C-N 3.31Å; L4-T6 PolarHBondContact O-N 3.01Å; L4-K7 PolarHBondContact O-N 3Å; L4-H8 WeakPolarHBondContact O-CB 3.33Å; L4-H8 PolarHBondContact O-N 3.1Å
5E63.2Low64.9Low116 Ų116132.4 Ų132.454%0.54262%0.624SS.*Hα-helixtrans-63.2-40177.5-66.3176.3139.500110.9N2 H8 R9N2-E5 PolarHBondContact N-OE2 3.47Å; N2-E5 WeakPolarHBondContact O-CB 3.49Å; N2-E5 PolarHBondContact O-N 2.86Å; E5-H8 PolarHBondContact O-N 3.38Å; E5-R9 WeakPolarHBondContact O-CG 3.13Å; E5-R9 PolarHBondContact O-N 3.28Å
6T70.1Confident65Low63 Ų63129.9 Ų129.939%0.38761%0.613SS.*Hα-helixtrans-66-41.7179.1-7.80000111.3N2 S3 L4 R10N2-T6 PolarHBondContact O-N 3.47Å; N2-T6 PolarHBondContact O-OG1 3.11Å; S3-T6 PolarHBondContact O-N 3.12Å; S3-T6 PolarHBondContact O-OG1 3.05Å; L4-T6 VanDerWaalsContact C-N 3.31Å; L4-T6 PolarHBondContact O-N 3.01Å; T6-R10 WeakPolarHBondContact O-CB 3.21Å; T6-R10 WeakPolarHBondContact O-CG 3.1Å; T6-R10 PolarHBondContact O-N 3.1Å
7K62.9Low65.3Low125 Ų125130.6 Ų130.654%0.54361%0.613SS.*Hα-helixtrans-66.2-38.7176.2-163.2174.5-175.8176.20111.6S3 L4 R11S3-K7 PolarHBondContact O-N 2.95Å; L4-K7 PolarHBondContact O-N 3Å; K7-R11 WeakPolarHBondContact O-CG 3.2Å; K7-R11 PolarHBondContact O-N 3.41Å
8H62.5Low65.6Low141 Ų141131.2 Ų131.265%0.65361%0.613SS**Hα-helixtrans-68.2-42.9178.3-146.4-30.3000112.1L4 E5 R11 S12L4-H8 WeakPolarHBondContact O-CB 3.33Å; L4-H8 PolarHBondContact O-N 3.1Å; E5-H8 PolarHBondContact O-N 3.38Å; H8-R11 PolarHBondContact O-N 3.24Å; H8-S12 WeakPolarHBondContact O-CB 3.4Å; H8-S12 PolarHBondContact O-N 3.21Å
9R66.2Low66.1Low188 Ų188128.7 Ų128.771%0.70961%0.605SS**Hα-helixtrans-61.8-44.5173.9-72.3-179.6100.6-170.26.2111.9E5 R11 S12 A13E5-R9 WeakPolarHBondContact O-CG 3.13Å; E5-R9 PolarHBondContact O-N 3.28Å; R9-R11 PolarHBondContact O-N 3.01Å; R9-S12 PolarHBondContact O-N 3.22Å; R9-A13 WeakPolarHBondContact O-CB 3.11Å; R9-A13 PolarHBondContact O-N 3.45Å
10R65Low66.4Low196 Ų196125.7 Ų125.774%0.7459%0.59SS**Hα-helixtrans-60.8-43.6176.2-79.6-179.8166.7178.2-3.2112.7T6 K14T6-R10 WeakPolarHBondContact O-CB 3.21Å; T6-R10 WeakPolarHBondContact O-CG 3.1Å; T6-R10 PolarHBondContact O-N 3.1Å; R10-K14 WeakPolarHBondContact O-CB 3.2Å; R10-K14 PolarHBondContact O-N 3.05Å
11R63.8Low67.1Low174 Ų174123.6 Ų123.666%0.65758%0.583SS**Hα-helixtrans-64.4-42.5175.9-77.8-179.4171.4-178.8-4.7111.8K7 H8 R9 K14 R15K7-R11 WeakPolarHBondContact O-CG 3.2Å; K7-R11 PolarHBondContact O-N 3.41Å; H8-R11 PolarHBondContact O-N 3.24Å; R9-R11 PolarHBondContact O-N 3.01Å; R11-K14 PolarHBondContact O-N 3.45Å; R11-R15 PolarHBondContact O-N 3.41Å
12S64.5Low68.5Low51 Ų51118.2 Ų118.236%0.35756%0.558SS.*Hα-helixtrans-62.9-47.3177.2-164.70000111.8H8 R9 K14 R15 M16H8-S12 WeakPolarHBondContact O-CB 3.4Å; H8-S12 PolarHBondContact O-N 3.21Å; R9-S12 PolarHBondContact O-N 3.22Å; S12-K14 VanDerWaalsContact C-N 3.34Å; S12-K14 PolarHBondContact O-N 3.45Å; S12-R15 PolarHBondContact O-N 2.99Å; S12-M16 WeakPolarHBondContact O-CG 3.39Å; S12-M16 PolarHBondContact O-N 3.08Å
13A67.2Low69.4Low59 Ų59116.4 Ų116.449%0.48854%0.544SS..Hα-helixtrans-61.4-41.1177.400000112.2R9 R15 M16 K17R9-A13 WeakPolarHBondContact O-CB 3.11Å; R9-A13 PolarHBondContact O-N 3.45Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.4Å; A13-M16 PolarHBondContact O-N 3.19Å; A13-K17 WeakPolarHBondContact O-CB 3.49Å; A13-K17 PolarHBondContact O-N 3.17Å
14K62.4Low70.1Confident172 Ų172114.5 Ų114.575%0.74852%0.524SS*.Hα-helixtrans-65.6-36.1176.1-168.3175.2-177.8177.90112.3R10 R11 S12 K18R10-K14 WeakPolarHBondContact O-CB 3.2Å; R10-K14 PolarHBondContact O-N 3.05Å; R11-K14 PolarHBondContact O-N 3.45Å; S12-K14 VanDerWaalsContact C-N 3.34Å; S12-K14 PolarHBondContact O-N 3.45Å; K14-K18 PolarHBondContact O-N 3.16Å
15R65.1Low71Confident171 Ų171114.1 Ų114.165%0.64552%0.519SS*.Hα-helixtrans-68.5-48.5175.5-171.6170.674.1179.34.6111.2R11 S12 A13 K17 K18 D19R11-R15 PolarHBondContact O-N 3.41Å; S12-R15 PolarHBondContact O-N 2.99Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.4Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.41Å; R15-K18 WeakPolarHBondContact O-CA 3.42Å; R15-K18 WeakPolarHBondContact O-CB 3.46Å; R15-K18 PolarHBondContact O-N 3.47Å; R15-D19 VanDerWaalsContact O-CG 3.31Å; R15-D19 PolarHBondContact O-N 3.48Å
16M66.7Low72.1Confident93 Ų93110.4 Ų110.446%0.45851%0.511SS..Hα-helixtrans-55.6-47.3176.6-71.7178.565.100111.9S12 A13 K18 D19 E20S12-M16 WeakPolarHBondContact O-CG 3.39Å; S12-M16 PolarHBondContact O-N 3.08Å; A13-M16 PolarHBondContact O-N 3.19Å; M16-K18 PolarHBondContact O-N 2.94Å; M16-D19 PolarHBondContact O-N 3.26Å; M16-D19 VanDerWaalsContact O-N 3.17Å; M16-E20 WeakPolarHBondContact O-CB 3.34Å; M16-E20 VanDerWaalsContact O-CG 3.3Å; M16-E20 WeakPolarHBondContact O-CG 3.42Å; M16-E20 PolarHBondContact O-N 3.33Å
17K69.6Low72.9Confident142 Ų142109 Ų10962%0.61750%0.5SS*.Hα-helixtrans-61.3-33.1177.2-171.9167.3-174.4171.70113A13 R15 N21A13-K17 WeakPolarHBondContact O-CB 3.49Å; A13-K17 PolarHBondContact O-N 3.17Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.41Å; K17-N21 PolarHBondContact O-N 2.88Å; K17-N21 VanDerWaalsContact O-N 3.13Å; K17-N21 PolarHBondContact O-OD1 2.94Å
18K71.1Confident74.2Confident140 Ų140104.8 Ų104.861%0.60949%0.487SS*.Hα-helixtrans-70.7-45175.5-171.8-173.9176.4-170.40111.1K14 R15 M16 E20 N21 L22K14-K18 PolarHBondContact O-N 3.16Å; R15-K18 WeakPolarHBondContact O-CA 3.42Å; R15-K18 WeakPolarHBondContact O-CB 3.46Å; R15-K18 PolarHBondContact O-N 3.47Å; M16-K18 PolarHBondContact O-N 2.94Å; K18-E20 VanDerWaalsContact C-N 3.33Å; K18-N21 PolarHBondContact O-N 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.2Å; K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.11Å
19D74.7Confident75.5Confident85 Ų85102 Ų10246%0.45548%0.478SS..Hα-helixtrans-66.2-37.9-179.8-59.6-20.3000110.8R15 M16 L22 Y23R15-D19 VanDerWaalsContact O-CG 3.31Å; R15-D19 PolarHBondContact O-N 3.48Å; M16-D19 PolarHBondContact O-N 3.26Å; M16-D19 VanDerWaalsContact O-N 3.17Å; D19-L22 PolarHBondContact O-N 3.36Å; D19-Y23 PolarHBondContact O-N 2.81Å
20E73.3Confident76.7Confident67 Ų6797.8 Ų97.831%0.31347%0.469SS..Hα-helixtrans-62-45.8172.5-75170.2-164.600112.2M16 K18 L22 Y23 F24 R101M16-E20 WeakPolarHBondContact O-CB 3.34Å; M16-E20 VanDerWaalsContact O-CG 3.3Å; M16-E20 WeakPolarHBondContact O-CG 3.42Å; M16-E20 PolarHBondContact O-N 3.33Å; K18-E20 VanDerWaalsContact C-N 3.33Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 2.75Å; E20-Y23 WeakPolarHBondContact O-CB 3.35Å; E20-Y23 PolarHBondContact O-N 2.75Å; E20-F24 WeakPolarHBondContact O-CD2 3.39Å; E20-F24 PolarHBondContact O-N 2.86Å; E20-F24 VanDerWaalsContact O-N 3.11Å; E20-R101 IonicContact OE2-NH1 3.1Å
21N79.6Confident78Confident82 Ų8293.4 Ų93.444%0.43946%0.456SS..Hα-helixtrans-59.5-44.3176.4-84.325.3000111.5K17 K18 Y23 F24 E25K17-N21 PolarHBondContact O-N 2.88Å; K17-N21 VanDerWaalsContact O-N 3.13Å; K17-N21 PolarHBondContact O-OD1 2.94Å; K18-N21 PolarHBondContact O-N 3.31Å; N21-Y23 VanDerWaalsContact C-N 3.27Å; N21-Y23 PolarHBondContact O-N 3.25Å; N21-F24 PolarHBondContact O-N 3.17Å; N21-E25 VanDerWaalsContact O-CB 3.26Å; N21-E25 WeakPolarHBondContact O-CB 3.36Å; N21-E25 WeakPolarHBondContact O-CG 3.03Å; N21-E25 PolarHBondContact O-N 3.02Å
22L84.3Confident79.2Confident95 Ų9586.6 Ų86.650%0.49744%0.435SS..Hα-helixtrans-63.4-34.5178.4-69.5171.9000112.3K18 D19 E20 G26K18-L22 WeakPolarHBondContact O-CG 3.2Å; K18-L22 PolarHBondContact O-N 3.16Å; K18-L22 VanDerWaalsContact O-N 3.11Å; D19-L22 PolarHBondContact O-N 3.36Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 2.75Å; L22-G26 PolarHBondContact O-N 2.84Å
23Y85.7Confident80.5Confident62 Ų6286 Ų8624%0.24343%0.427CS..Hα-helixtrans-62.5-56174.6172.6-88.1000110.9D19 E20 N21 E25 G26 Y27 M128D19-Y23 PolarHBondContact O-N 2.81Å; E20-Y23 WeakPolarHBondContact O-CB 3.35Å; E20-Y23 PolarHBondContact O-N 2.75Å; N21-Y23 VanDerWaalsContact C-N 3.27Å; N21-Y23 PolarHBondContact O-N 3.25Å; Y23-E25 VanDerWaalsContact C-N 3.34Å; Y23-E25 PolarHBondContact O-N 3.05Å; Y23-G26 WeakPolarHBondContact O-CA 3.32Å; Y23-G26 PolarHBondContact O-N 2.73Å; Y23-G26 VanDerWaalsContact O-N 3.07Å; Y23-Y27 HydrophobicContact CD1-CD2 4.23Å; Y23-Y27 HydrophobicContact CD2-CD2 4.11Å; Y23-Y27 AromaticContact CD2-CE2 3.77Å; Y23-Y27 HydrophobicContact CD2-CE2 3.77Å; Y23-Y27 AromaticContact CE1-CD2 3.85Å; Y23-Y27 HydrophobicContact CE1-CD2 3.85Å; Y23-Y27 HydrophobicContact CE1-CE2 4.11Å; Y23-Y27 AromaticContact CE2-CD2 3.75Å; Y23-Y27 HydrophobicContact CE2-CD2 3.75Å; Y23-Y27 AromaticContact CE2-CE2 3.18Å; Y23-Y27 HydrophobicContact CE2-CE2 3.18Å; Y23-Y27 HydrophobicContact CG-CD2 4.32Å; Y23-Y27 HydrophobicContact CG-CE2 4.44Å; Y23-Y27 AromaticContact CZ-CD2 3.57Å; Y23-Y27 AromaticContact CZ-CE2 3.35Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.38Å; Y23-Y27 PolarHBondContact O-N 3.2Å; Y23-M128 HydrophobicContact CE2-CG 4.12Å; Y23-M128 WeakPolarHBondContact OH-CE 3.49Å; Y23-M128 WeakPolarHBondContact OH-CG 3.25Å; Y23-M128 PolarHBondContact OH-SD 3.01Å
24F87.8Confident81.7Confident54 Ų5487 Ų8724%0.23742%0.424CS..Hα-helixtrans-69.1-31.2-178.2-64.5-63.4000113E20 N21 G26 Y27 A28 A75 A76 R101E20-F24 WeakPolarHBondContact O-CD2 3.39Å; E20-F24 PolarHBondContact O-N 2.86Å; E20-F24 VanDerWaalsContact O-N 3.11Å; N21-F24 PolarHBondContact O-N 3.17Å; F24-G26 VanDerWaalsContact C-N 3.29Å; F24-G26 PolarHBondContact O-N 3.01Å; F24-Y27 CarbonylContact O-C 3.58Å; F24-Y27 PolarHBondContact O-N 2.95Å; F24-A28 WeakPolarHBondContact O-CB 3.43Å; F24-A28 PolarHBondContact O-N 3.29Å; F24-A75 HydrophobicContact CD1-CB 3.96Å; F24-A75 HydrophobicContact CE1-CB 3.45Å; F24-A75 VanDerWaalsContact CE1-CB 3.45Å; F24-A75 HydrophobicContact CZ-CB 3.82Å; F24-A76 HydrophobicContact CB-CB 4.44Å; F24-A76 HydrophobicContact CD1-CB 4.3Å; F24-R101 HydrophobicContact CE2-CG 4.39Å; F24-R101 HydrophobicContact CZ-CG 4.1Å
25E86.5Confident83.2Confident121 Ų12184.2 Ų84.257%0.56541%0.414SS*.Hα-helixtrans-61.3-38.8170-76.2168.9-162.200111.2N21 Y23 A28N21-E25 VanDerWaalsContact O-CB 3.26Å; N21-E25 WeakPolarHBondContact O-CB 3.36Å; N21-E25 WeakPolarHBondContact O-CG 3.03Å; N21-E25 PolarHBondContact O-N 3.02Å; Y23-E25 VanDerWaalsContact C-N 3.34Å; Y23-E25 PolarHBondContact O-N 3.05Å; E25-A28 PolarHBondContact O-N 2.78Å
26G86Confident84.4Confident37 Ų3777.6 Ų77.638%0.38139%0.391SS..Hα-helixtrans-65.1-43.6174.100000113L22 Y23 F24 A28 D29L22-G26 PolarHBondContact O-N 2.84Å; Y23-G26 WeakPolarHBondContact O-CA 3.32Å; Y23-G26 PolarHBondContact O-N 2.73Å; Y23-G26 VanDerWaalsContact O-N 3.07Å; F24-G26 VanDerWaalsContact C-N 3.29Å; F24-G26 PolarHBondContact O-N 3.01Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 2.72Å; G26-D29 WeakPolarHBondContact O-CB 3.47Å; G26-D29 PolarHBondContact O-N 2.9Å
27Y86.9Confident85.6Confident35 Ų3578.4 Ų78.414%0.13740%0.396CS..Hα-helixtrans-78.8-6.5176.3-75.8-86.7000113.8Y23 F24 D29 H33 M36 E126Y23-Y27 HydrophobicContact CD1-CD2 4.23Å; Y23-Y27 HydrophobicContact CD2-CD2 4.11Å; Y23-Y27 AromaticContact CD2-CE2 3.77Å; Y23-Y27 HydrophobicContact CD2-CE2 3.77Å; Y23-Y27 AromaticContact CE1-CD2 3.85Å; Y23-Y27 HydrophobicContact CE1-CD2 3.85Å; Y23-Y27 HydrophobicContact CE1-CE2 4.11Å; Y23-Y27 AromaticContact CE2-CD2 3.75Å; Y23-Y27 HydrophobicContact CE2-CD2 3.75Å; Y23-Y27 AromaticContact CE2-CE2 3.18Å; Y23-Y27 HydrophobicContact CE2-CE2 3.18Å; Y23-Y27 HydrophobicContact CG-CD2 4.32Å; Y23-Y27 HydrophobicContact CG-CE2 4.44Å; Y23-Y27 AromaticContact CZ-CD2 3.57Å; Y23-Y27 AromaticContact CZ-CE2 3.35Å; Y23-Y27 WeakPolarHBondContact O-CD2 3.38Å; Y23-Y27 PolarHBondContact O-N 3.2Å; F24-Y27 CarbonylContact O-C 3.58Å; F24-Y27 PolarHBondContact O-N 2.95Å; Y27-D29 VanDerWaalsContact C-N 3.25Å; Y27-H33 PolarHBondContact O-CD2 3.02Å; Y27-H33 PolarHBondContact O-NE2 3.11Å; Y27-M36 HydrophobicContact CD1-CE 4.27Å; Y27-M36 HydrophobicContact CE1-CE 4.17Å; Y27-M36 HydrophobicContact CE1-SD 4.36Å; Y27-E126 PolarHBondContact OH-OE2 3.15Å
28A88.8Confident86.9Confident35 Ų3577.3 Ų77.329%0.28940%0.397SS..THydrogen-bonded Turntrans-78.1-12.616700000112.3F24 E25 G26 L30 D77F24-A28 WeakPolarHBondContact O-CB 3.43Å; F24-A28 PolarHBondContact O-N 3.29Å; E25-A28 PolarHBondContact O-N 2.78Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 2.72Å; A28-L30 PolarHBondContact O-N 2.94Å; A28-D77 HydrophobicContact CB-CB 4.5Å
29D90.9Very high88Confident84 Ų8473.2 Ų73.245%0.44938%0.381SS..  trans-74.4112.9177.6-176.76000111.7G26 Y27 Q31 C32 H33G26-D29 WeakPolarHBondContact O-CB 3.47Å; G26-D29 PolarHBondContact O-N 2.9Å; Y27-D29 VanDerWaalsContact C-N 3.25Å; D29-Q31 PolarHBondContact O-N 2.79Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.49Å; D29-Q31 PolarHBondContact OD1-N 3.39Å; D29-C32 HydrophobicContact CB-CB 4.2Å; D29-C32 WeakPolarHBondContact O-CB 3.44Å; D29-C32 PolarHBondContact O-N 3Å; D29-H33 PolarHBondContact O-CD2 2.9Å; D29-H33 PolarHBondContact O-N 3.15Å
30L91.2Very high89Confident99 Ų9972.3 Ų72.352%0.51838%0.382SS..Hα-helixtrans-60.4-27.7177.5-60.4-178.7000113A28 C32 H33 L34 V78A28-L30 PolarHBondContact O-N 2.94Å; L30-C32 VanDerWaalsContact C-N 3.3Å; L30-H33 PolarHBondContact O-N 2.78Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 2.83Å; L30-V78 HydrophobicContact CD2-CG2 4.11Å
31Q92.9Very high89.9Confident103 Ų10374 Ų7448%0.48140%0.399SS..Hα-helixtrans-68.6-34.4176.2-172.658.648.100111.1D29 L34 M35D29-Q31 PolarHBondContact O-N 2.79Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.49Å; D29-Q31 PolarHBondContact OD1-N 3.39Å; Q31-L34 PolarHBondContact O-N 3.23Å; Q31-M35 HydrophobicContact CG-CE 4.38Å; Q31-M35 VanDerWaalsContact O-CG 3.3Å; Q31-M35 WeakPolarHBondContact O-CG 3.34Å; Q31-M35 PolarHBondContact O-N 3.24Å
32C88.7Confident90.4Very high31 Ų3173.7 Ų73.721%0.20939%0.391CS..Hα-helixtrans-60.4-50.7172.5-170.10000110.4D29 L30 L34 M35 M36D29-C32 HydrophobicContact CB-CB 4.2Å; D29-C32 WeakPolarHBondContact O-CB 3.44Å; D29-C32 PolarHBondContact O-N 3Å; L30-C32 VanDerWaalsContact C-N 3.3Å; C32-L34 PolarHBondContact O-N 3.02Å; C32-M35 PolarHBondContact O-N 3.33Å; C32-M36 WeakPolarHBondContact O-CG 3.22Å; C32-M36 PolarHBondContact O-N 3.46Å
33H90.4Very high90.8Very high39 Ų3971.6 Ų71.618%0.18138%0.383CS..Hα-helixtrans-58.2-45.6176-75.2-82.1000112.8Y27 D29 L30 M35 M36 I37Y27-H33 PolarHBondContact O-CD2 3.02Å; Y27-H33 PolarHBondContact O-NE2 3.11Å; D29-H33 PolarHBondContact O-CD2 2.9Å; D29-H33 PolarHBondContact O-N 3.15Å; L30-H33 PolarHBondContact O-N 2.78Å; H33-M35 VanDerWaalsContact C-N 3.34Å; H33-M35 PolarHBondContact O-N 3.35Å; H33-M36 PolarHBondContact O-N 3.19Å; H33-I37 WeakPolarHBondContact O-CB 3.4Å; H33-I37 VanDerWaalsContact O-CG1 3.26Å; H33-I37 WeakPolarHBondContact O-CG1 3.46Å; H33-I37 PolarHBondContact O-N 3.45Å
34L93.5Very high91.2Very high81 Ų8171.4 Ų71.442%0.42439%0.385SS..Hα-helixtrans-61-42.6178.8-17860.7000111.9L30 Q31 C32 M36 I37 L38L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 2.83Å; Q31-L34 PolarHBondContact O-N 3.23Å; C32-L34 PolarHBondContact O-N 3.02Å; L34-M36 PolarHBondContact O-N 3.29Å; L34-I37 PolarHBondContact O-N 3.48Å; L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CG 3.94Å; L34-L38 HydrophobicContact CG-CD1 3.87Å; L34-L38 HydrophobicContact CG-CG 4.39Å; L34-L38 WeakPolarHBondContact O-CB 3.5Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.06Å
35M93.7Very high91.5Very high112 Ų11270.9 Ų70.955%0.55239%0.391SS*.Hα-helixtrans-62.3-42.1176.3-71.9-175.3-63.200111.9Q31 C32 H33 D39Q31-M35 HydrophobicContact CG-CE 4.38Å; Q31-M35 VanDerWaalsContact O-CG 3.3Å; Q31-M35 WeakPolarHBondContact O-CG 3.34Å; Q31-M35 PolarHBondContact O-N 3.24Å; C32-M35 PolarHBondContact O-N 3.33Å; H33-M35 VanDerWaalsContact C-N 3.34Å; H33-M35 PolarHBondContact O-N 3.35Å; M35-D39 PolarHBondContact O-N 3.34Å
36M91Very high91.8Very high33 Ų3366.7 Ų66.716%0.16337%0.371CS..Hα-helixtrans-68-39.3177.9-65.5-173-6700112.6Y27 C32 H33 L34 D39Y27-M36 HydrophobicContact CD1-CE 4.27Å; Y27-M36 HydrophobicContact CE1-CE 4.17Å; Y27-M36 HydrophobicContact CE1-SD 4.36Å; C32-M36 WeakPolarHBondContact O-CG 3.22Å; C32-M36 PolarHBondContact O-N 3.46Å; H33-M36 PolarHBondContact O-N 3.19Å; L34-M36 PolarHBondContact O-N 3.29Å; M36-D39 WeakPolarHBondContact O-CB 3.39Å; M36-D39 PolarHBondContact O-N 3.14Å
37I92.1Very high92.1Very high110 Ų11070.4 Ų70.456%0.56438%0.376SS*.Hα-helixtrans-68.9-38.3178.7-68.9165.1000111.2H33 L34 D39 T43H33-I37 WeakPolarHBondContact O-CB 3.4Å; H33-I37 VanDerWaalsContact O-CG1 3.26Å; H33-I37 WeakPolarHBondContact O-CG1 3.46Å; H33-I37 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.48Å; I37-D39 VanDerWaalsContact C-N 3.27Å; I37-D39 PolarHBondContact O-N 3.27Å; I37-T43 WeakPolarHBondContact O-CG2 3.41Å
38L95.6Very high92.5Very high119 Ų11976.6 Ų76.662%0.62340%0.399SS*.Hα-helixtrans-76.1-14.1178.8-67.9177.6000113.5L34 S40L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CG 3.94Å; L34-L38 HydrophobicContact CG-CD1 3.87Å; L34-L38 HydrophobicContact CG-CG 4.39Å; L34-L38 WeakPolarHBondContact O-CB 3.5Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.06Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 3.44Å; L38-S40 PolarHBondContact O-OG 2.94Å
39D94.4Very high92.7Very high54 Ų5476.2 Ų76.229%0.28940%0.396SS..  trans-67.286.4170.4-174.9-10.6000109.9M35 M36 I37 P41 R42 T43M35-D39 PolarHBondContact O-N 3.34Å; M36-D39 WeakPolarHBondContact O-CB 3.39Å; M36-D39 PolarHBondContact O-N 3.14Å; I37-D39 VanDerWaalsContact C-N 3.27Å; I37-D39 PolarHBondContact O-N 3.27Å; D39-P41 VanDerWaalsContact OD1-CD 3.31Å; D39-P41 WeakPolarHBondContact OD1-CD 3.22Å; D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 WeakPolarHBondContact O-CB 3.48Å; D39-R42 PolarHBondContact O-N 2.83Å; D39-R42 WeakPolarHBondContact OD1-CB 3.2Å; D39-R42 PolarHBondContact OD1-N 2.89Å; D39-R42 VanDerWaalsContact OD1-N 3.13Å; D39-R42 WeakPolarHBondContact OD2-CB 3.45Å; D39-R42 IonicContact OD2-CZ 2.86Å; D39-R42 IonicContact OD2-NE 3.77Å; D39-R42 PolarHBondContact OD2-NE 2.85Å; D39-R42 IonicContact OD2-NH2 3.38Å; D39-R42 PolarHBondContact OD2-NH2 3.04Å; D39-T43 PolarHBondContact O-N 2.97Å; D39-T43 PolarHBondContact O-OG1 3.38Å
40S95.2Very high92.9Very high66 Ų6675 Ų7546%0.46239%0.389SS..Hα-helixtrans-63.4-41.1-176.1-64.60000112.9L38 R42 T43 N44L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 3.44Å; L38-S40 PolarHBondContact O-OG 2.94Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.81Å; S40-T43 WeakPolarHBondContact CA-OG1 3.3Å; S40-T43 PolarHBondContact O-OG1 3.01Å; S40-N44 WeakPolarHBondContact O-CB 3.29Å; S40-N44 VanDerWaalsContact O-CG 3.24Å; S40-N44 PolarHBondContact O-N 3.16Å; S40-N44 PolarHBondContact O-ND2 3.03Å
41P92.1Very high93.1Very high103 Ų10377 Ų7767%0.66939%0.394SS*.Hα-helixtrans-54.9-46.6170.8-28.436.3000113.1D39 A45D39-P41 VanDerWaalsContact OD1-CD 3.31Å; D39-P41 WeakPolarHBondContact OD1-CD 3.22Å; P41-A45 WeakPolarHBondContact O-CB 3.45Å; P41-A45 PolarHBondContact O-N 3.32Å; P41-A45 VanDerWaalsContact O-N 3.1Å
42R91.1Very high93.2Very high75 Ų7578.7 Ų78.728%0.28341%0.406SS..Hα-helixtrans-60.9-60176.8179.5-165.3-56-1403.3111.6D39 S40 N44 A45 Y46 E117D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 WeakPolarHBondContact O-CB 3.48Å; D39-R42 PolarHBondContact O-N 2.83Å; D39-R42 WeakPolarHBondContact OD1-CB 3.2Å; D39-R42 PolarHBondContact OD1-N 2.89Å; D39-R42 VanDerWaalsContact OD1-N 3.13Å; D39-R42 WeakPolarHBondContact OD2-CB 3.45Å; D39-R42 IonicContact OD2-CZ 2.86Å; D39-R42 IonicContact OD2-NE 3.77Å; D39-R42 PolarHBondContact OD2-NE 2.85Å; D39-R42 IonicContact OD2-NH2 3.38Å; D39-R42 PolarHBondContact OD2-NH2 3.04Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.81Å; R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 PolarHBondContact O-N 3.13Å; R42-A45 WeakPolarHBondContact O-CB 3.41Å; R42-A45 PolarHBondContact O-N 3.05Å; R42-Y46 HydrophobicContact CG-CD2 4.39Å; R42-Y46 HydrophobicContact CG-CE2 4.31Å; R42-Y46 WeakPolarHBondContact O-CD2 3.28Å; R42-Y46 PolarHBondContact O-N 3.26Å; R42-E117 IonicContact CZ-OE2 2.63Å; R42-E117 IonicContact NH1-OE2 2.76Å; R42-E117 PolarHBondContact NH1-OE2 3.3Å
43T93.1Very high93.4Very high51 Ų5178.2 Ų78.231%0.31340%0.403SS..Hα-helixtrans-63.1-35.9-174.952.20000112.4I37 D39 S40 Y46 K47I37-T43 WeakPolarHBondContact O-CG2 3.41Å; D39-T43 PolarHBondContact O-N 2.97Å; D39-T43 PolarHBondContact O-OG1 3.38Å; S40-T43 WeakPolarHBondContact CA-OG1 3.3Å; S40-T43 PolarHBondContact O-OG1 3.01Å; T43-Y46 PolarHBondContact O-N 3.11Å; T43-K47 VanDerWaalsContact O-CB 3.31Å; T43-K47 WeakPolarHBondContact O-CB 3.38Å; T43-K47 PolarHBondContact O-N 3.16Å
44N94.5Very high93.6Very high57 Ų5778.2 Ų78.231%0.30541%0.41SS..Hα-helixtrans-70.5-29175-74.1-53.1000113.2S40 R42 R48S40-N44 WeakPolarHBondContact O-CB 3.29Å; S40-N44 VanDerWaalsContact O-CG 3.24Å; S40-N44 PolarHBondContact O-N 3.16Å; S40-N44 PolarHBondContact O-ND2 3.03Å; R42-N44 VanDerWaalsContact C-N 3.3Å; R42-N44 PolarHBondContact O-N 3.13Å; N44-R48 WeakPolarHBondContact O-CB 3.04Å; N44-R48 WeakPolarHBondContact O-CG 2.95Å; N44-R48 PolarHBondContact O-N 3.38Å
45A92.3Very high93.6Very high44 Ų4482.9 Ų82.936%0.36443%0.43SS..Hα-helixtrans-64.2-47.9174.200000110.7P41 R42 R48 A49P41-A45 WeakPolarHBondContact O-CB 3.45Å; P41-A45 PolarHBondContact O-N 3.32Å; P41-A45 VanDerWaalsContact O-N 3.1Å; R42-A45 WeakPolarHBondContact O-CB 3.41Å; R42-A45 PolarHBondContact O-N 3.05Å; A45-R48 PolarHBondContact O-N 3.49Å; A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 2.9Å
46Y92.6Very high93.6Very high33 Ų3384.7 Ų84.713%0.12943%0.434CS..Hα-helixtrans-62.6-45.5174.2-78.1-78.7000112.5R42 T43 R48 A49 I50 L115 S116 E117 M119R42-Y46 HydrophobicContact CG-CD2 4.39Å; R42-Y46 HydrophobicContact CG-CE2 4.31Å; R42-Y46 WeakPolarHBondContact O-CD2 3.28Å; R42-Y46 PolarHBondContact O-N 3.26Å; T43-Y46 PolarHBondContact O-N 3.11Å; Y46-R48 PolarHBondContact O-N 2.77Å; Y46-A49 PolarHBondContact O-N 3.31Å; Y46-I50 WeakPolarHBondContact O-CD1 3.2Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.45Å; Y46-I50 PolarHBondContact O-N 2.84Å; Y46-L115 HydrophobicContact CD1-CD1 3.8Å; Y46-L115 HydrophobicContact CE1-CD1 4.17Å; Y46-S116 WeakPolarHBondContact CE1-O 3.28Å; Y46-S116 PolarHBondContact OH-O 3.25Å; Y46-E117 HydrophobicContact CE2-CB 4.32Å; Y46-E117 HydrophobicContact CE2-CG 3.62Å; Y46-E117 VanDerWaalsContact OH-CA 3.3Å; Y46-E117 WeakPolarHBondContact OH-CA 3.29Å; Y46-M119 HydrophobicContact CE2-CE 4.47Å; Y46-M119 WeakPolarHBondContact OH-CE 3.23Å; Y46-M119 PolarHBondContact OH-SD 2.78Å
47K93.6Very high93.7Very high115 Ų11584.5 Ų84.550%0.543%0.434SS..Hα-helixtrans-53.6-53.6174.6-177.7178.9177178.30110.7T43 A49 I50 F51T43-K47 VanDerWaalsContact O-CB 3.31Å; T43-K47 WeakPolarHBondContact O-CB 3.38Å; T43-K47 PolarHBondContact O-N 3.16Å; K47-A49 PolarHBondContact O-N 2.94Å; K47-I50 PolarHBondContact O-N 3.03Å; K47-F51 HydrophobicContact CD-CE2 4.49Å; K47-F51 HydrophobicContact CG-CD2 3.65Å; K47-F51 HydrophobicContact CG-CE2 3.75Å; K47-F51 VanDerWaalsContact O-CD2 3.23Å; K47-F51 WeakPolarHBondContact O-CD2 3.29Å; K47-F51 PolarHBondContact O-N 2.96Å
48R94.9Very high93.7Very high165 Ų16587.3 Ų87.362%0.62344%0.437SS*.Hα-helixtrans-58.3-47.9179.1-73.2170.8-168.9164.73.9111.3N44 A45 Y46 I50 F51 D52N44-R48 WeakPolarHBondContact O-CB 3.04Å; N44-R48 WeakPolarHBondContact O-CG 2.95Å; N44-R48 PolarHBondContact O-N 3.38Å; A45-R48 PolarHBondContact O-N 3.49Å; Y46-R48 PolarHBondContact O-N 2.77Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.47Å; R48-F51 PolarHBondContact O-N 2.9Å; R48-F51 VanDerWaalsContact O-N 3.17Å; R48-D52 VanDerWaalsContact O-CB 3.29Å; R48-D52 WeakPolarHBondContact O-CB 3.37Å; R48-D52 PolarHBondContact O-N 3.48Å
49A93.9Very high93.6Very high26 Ų2689.2 Ų89.222%0.21545%0.448CS..Hα-helixtrans-58.3-40.4179.200000113.1A45 Y46 K47 S53 I147A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 2.9Å; Y46-A49 PolarHBondContact O-N 3.31Å; K47-A49 PolarHBondContact O-N 2.94Å; A49-S53 VanDerWaalsContact O-CB 3.23Å; A49-S53 WeakPolarHBondContact O-CB 3.21Å; A49-S53 PolarHBondContact O-N 2.92Å; A49-S53 VanDerWaalsContact O-N 3.13Å; A49-S53 PolarHBondContact O-OG 3.13Å; A49-I147 HydrophobicContact CB-CG2 3.74Å
50I93.7Very high93.5Very high60 Ų6091 Ų9131%0.30845%0.453SS..Hα-helixtrans-66.6-47.6176-67.2163.8000110.8Y46 K47 R48 S53 A54 L57 L115Y46-I50 WeakPolarHBondContact O-CD1 3.2Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.45Å; Y46-I50 PolarHBondContact O-N 2.84Å; K47-I50 PolarHBondContact O-N 3.03Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 3.47Å; I50-S53 CarbonylContact O-C 3.13Å; I50-S53 PolarHBondContact O-N 2.97Å; I50-A54 PolarHBondContact O-N 2.84Å; I50-A54 VanDerWaalsContact O-N 3.09Å; I50-L57 HydrophobicContact CG2-CD1 4.14Å; I50-L115 HydrophobicContact CD1-CD1 4.39Å; I50-L115 HydrophobicContact CD1-CD2 3.89Å; I50-L115 HydrophobicContact CG1-CD1 4.39Å; I50-L115 HydrophobicContact CG1-CD2 4.49Å
51F95.3Very high93.5Very high139 Ų13990 Ų9061%0.6144%0.444SS*.Hα-helixtrans-68.4-39.5-178.8-85.4-80.9000112.6K47 R48 S53 A54K47-F51 HydrophobicContact CD-CE2 4.49Å; K47-F51 HydrophobicContact CG-CD2 3.65Å; K47-F51 HydrophobicContact CG-CE2 3.75Å; K47-F51 VanDerWaalsContact O-CD2 3.23Å; K47-F51 WeakPolarHBondContact O-CD2 3.29Å; K47-F51 PolarHBondContact O-N 2.96Å; R48-F51 PolarHBondContact O-N 2.9Å; R48-F51 VanDerWaalsContact O-N 3.17Å; F51-S53 PolarHBondContact O-N 3.26Å; F51-A54 WeakPolarHBondContact O-CB 3.41Å; F51-A54 PolarHBondContact O-N 3.35Å; F51-A54 VanDerWaalsContact O-N 3.12Å
52D95Very high93.7Very high140 Ų14086 Ų8675%0.74942%0.418SS*.Hα-helixtrans-67.1-25.4175.7-66.1-15.7000111.4R48R48-D52 VanDerWaalsContact O-CB 3.29Å; R48-D52 WeakPolarHBondContact O-CB 3.37Å; R48-D52 PolarHBondContact O-N 3.48Å
53S93.7Very high93.9Very high21 Ų2182.4 Ų82.415%0.14740%0.404CS..THydrogen-bonded Turntrans-94.56.1175-56.60000113.6A49 I50 F51 E55 K56 L57A49-S53 VanDerWaalsContact O-CB 3.23Å; A49-S53 WeakPolarHBondContact O-CB 3.21Å; A49-S53 PolarHBondContact O-N 2.92Å; A49-S53 VanDerWaalsContact O-N 3.13Å; A49-S53 PolarHBondContact O-OG 3.13Å; I50-S53 CarbonylContact O-C 3.13Å; I50-S53 PolarHBondContact O-N 2.97Å; F51-S53 PolarHBondContact O-N 3.26Å; S53-E55 VanDerWaalsContact C-N 3.28Å; S53-E55 PolarHBondContact O-N 3.22Å; S53-E55 VanDerWaalsContact O-N 3.15Å; S53-K56 WeakPolarHBondContact O-CA 3.47Å; S53-K56 WeakPolarHBondContact O-CB 3.12Å; S53-K56 PolarHBondContact O-N 3.01Å; S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.27Å
54A94.1Very high94Very high38 Ų3880.4 Ų80.431%0.31439%0.392SS..Hα-helixtrans-57.9-36.1-168.900000113.9I50 F51 K56 L57 R58I50-A54 PolarHBondContact O-N 2.84Å; I50-A54 VanDerWaalsContact O-N 3.09Å; F51-A54 WeakPolarHBondContact O-CB 3.41Å; F51-A54 PolarHBondContact O-N 3.35Å; F51-A54 VanDerWaalsContact O-N 3.12Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.86Å; A54-L57 PolarHBondContact O-N 2.87Å; A54-R58 PolarHBondContact O-N 2.86Å
55E94.3Very high93.8Very high180 Ų18078 Ų7884%0.84138%0.379SS*.Hα-helixtrans-64.5-37.5175.6-66-172165.200112.4S53S53-E55 VanDerWaalsContact C-N 3.28Å; S53-E55 PolarHBondContact O-N 3.22Å; S53-E55 VanDerWaalsContact O-N 3.15Å
56K92.8Very high93.3Very high150 Ų15077.6 Ų77.665%0.65238%0.379SS*.Hα-helixtrans-77.4-26.5178.6-61.8178.5-176.5172.10112.5S53 A54 K60S53-K56 WeakPolarHBondContact O-CA 3.47Å; S53-K56 WeakPolarHBondContact O-CB 3.12Å; S53-K56 PolarHBondContact O-N 3.01Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.86Å; K56-K60 WeakPolarHBondContact O-CG 3.29Å
57L93.2Very high92.1Very high29 Ų2977.7 Ų77.715%0.15239%0.387CS..Hα-helixtrans-90.2-13.5-179.1-66.3174.8000113.4I50 S53 A54 N59 K60 V62 C113 L145 I147I50-L57 HydrophobicContact CG2-CD1 4.14Å; S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.27Å; A54-L57 PolarHBondContact O-N 2.87Å; L57-N59 PolarHBondContact O-N 3.36Å; L57-K60 WeakPolarHBondContact O-CB 3.23Å; L57-K60 PolarHBondContact O-N 3.01Å; L57-K60 VanDerWaalsContact O-N 3.11Å; L57-V62 HydrophobicContact CD2-CG2 4.21Å; L57-C113 HydrophobicContact CD2-CB 3.72Å; L57-L145 HydrophobicContact CD2-CD2 4.13Å; L57-I147 HydrophobicContact CD1-CD1 4.32Å
58R93.3Very high90.6Very high168 Ų16873.1 Ų73.163%0.63437%0.372SS*.THydrogen-bonded Turntrans-61.6125.9-179.3-172.3178.3-58.2-74.8-2.9110.5A54 K60A54-R58 PolarHBondContact O-N 2.86Å; R58-K60 PolarHBondContact O-N 2.85Å
59N92.4Very high89.1Confident160 Ų16067.6 Ų67.686%0.85636%0.357SS*.THydrogen-bonded Turntrans58.228.3-178.2-50.7-31.1000113.3L57L57-N59 PolarHBondContact O-N 3.36Å
60K93.7Very high88.3Confident92 Ų9268.7 Ų68.740%0.436%0.36SS..  trans-105.8153176.5-65.4-42.6-155149.80111.6K56 L57 R58 D112K56-K60 WeakPolarHBondContact O-CG 3.29Å; L57-K60 WeakPolarHBondContact O-CB 3.23Å; L57-K60 PolarHBondContact O-N 3.01Å; L57-K60 VanDerWaalsContact O-N 3.11Å; R58-K60 PolarHBondContact O-N 2.85Å; K60-D112 HydrophobicContact CB-CB 3.83Å; K60-D112 HydrophobicContact CD-CB 4.09Å; K60-D112 HydrophobicContact CG-CB 4.11Å; K60-D112 IonicContact NZ-OD1 3.07Å; K60-D112 PolarHBondContact NZ-OD1 2.74Å
61V94.5Very high88.2Confident44 Ų4467.3 Ų67.327%0.26735%0.353SS..  trans-89127.3173.8-175.60000108.7V70 H71 V111 D112 C113V61-V70 HydrophobicContact CG1-CG1 4.07Å; V61-H71 VanDerWaalsContact CG1-CD2 3.49Å; V61-H71 WeakPolarHBondContact CG1-CD2 3.36Å; V61-V111 HydrophobicContact CG1-CB 4.27Å; V61-V111 HydrophobicContact CG1-CG1 3.74Å; V61-D112 PolarHBondContact N-OD2 3.17Å; V61-D112 PolarHBondContact O-N 2.61Å; V61-C113 PolarHBondContact O-N 2.92Å
62V95.6Very high88Confident19 Ų1960.7 Ų60.712%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-113.4135.8-179.1-173.70000109.2L57 V70 H71 C113 L115L57-V62 HydrophobicContact CD2-CG2 4.21Å; V62-V70 HydrophobicContact CB-CB 4.41Å; V62-V70 HydrophobicContact CB-CG2 4.36Å; V62-V70 WeakPolarHBondContact O-CB 3.42Å; V62-H71 PolarHBondContact O-N 3.48Å; V62-C113 CarbonylContact C-O 3.35Å; V62-C113 WeakPolarHBondContact CA-O 3.46Å; V62-C113 HydrophobicContact CG1-CB 4.28Å; V62-C113 HydrophobicContact CG2-CB 4.14Å; V62-L115 HydrophobicContact CG1-CB 4.14Å
63L96.2Very high87.8Confident0 Ų054.2 Ų54.20%029%0.289CS..EExtended strand (participates in β ladder)trans-104.1124.4167.1179.465.5000108.5V65 H71 V73 L105 L107 V111 C113 I114 L115 A135 W139L63-V65 HydrophobicContact CD2-CG2 4.14Å; L63-V65 HydrophobicContact CG-CG2 4.07Å; L63-H71 HydrophobicContact CD1-CB 3.66Å; L63-V73 HydrophobicContact CD1-CG2 3.48Å; L63-V73 VanDerWaalsContact CD1-CG2 3.48Å; L63-V73 HydrophobicContact CG-CG2 4.49Å; L63-L105 HydrophobicContact CD1-CD2 3.74Å; L63-L105 HydrophobicContact CD2-CD2 4.22Å; L63-L107 HydrophobicContact CD1-CD1 4.25Å; L63-V111 HydrophobicContact CB-CB 4.25Å; L63-V111 HydrophobicContact CB-CG1 3.93Å; L63-V111 HydrophobicContact CB-CG2 3.73Å; L63-C113 PolarHBondContact N-O 3.32Å; L63-I114 HydrophobicContact CB-CG1 4.06Å; L63-I114 HydrophobicContact CD2-CD1 4.46Å; L63-I114 HydrophobicContact CD2-CG1 4.18Å; L63-I114 CarbonylContact O-C 3.57Å; L63-I114 VanDerWaalsContact O-CA 3.29Å; L63-I114 WeakPolarHBondContact O-CA 3.45Å; L63-L115 PolarHBondContact O-N 2.88Å; L63-A135 HydrophobicContact CD2-CB 4.28Å; L63-W139 HydrophobicContact CD2-CB 3.93Å; L63-W139 HydrophobicContact CD2-CG 4.22Å
64D93.7Very high87.7Confident9 Ų954 Ų545%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-104.8108.6175.6-153.9-13000110G66 A67 G68 T69 H71 V73 L115D64-G66 PolarHBondContact O-N 3.35Å; D64-A67 VanDerWaalsContact CG-C 3.46Å; D64-A67 VanDerWaalsContact CG-CB 3.48Å; D64-A67 WeakPolarHBondContact OD1-CB 3.48Å; D64-A67 WeakPolarHBondContact OD2-CB 3.4Å; D64-G68 PolarHBondContact OD2-N 2.92Å; D64-T69 VanDerWaalsContact CB-OG1 3.28Å; D64-T69 WeakPolarHBondContact CB-OG1 3.43Å; D64-T69 VanDerWaalsContact CG-OG1 3.31Å; D64-T69 PolarHBondContact OD2-N 3.45Å; D64-T69 VanDerWaalsContact OD2-N 3.16Å; D64-T69 PolarHBondContact OD2-OG1 3Å; D64-H71 PolarHBondContact N-O 3.42Å; D64-V73 PolarHBondContact O-N 3.02Å; D64-L115 WeakPolarHBondContact CA-O 3.44Å
65V90.5Very high87.4Confident6 Ų653.7 Ų53.74%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-91.3106.9-176.9-176.80000108.7L63 V102 I114 L115 S116 V132 A135L63-V65 HydrophobicContact CD2-CG2 4.14Å; L63-V65 HydrophobicContact CG-CG2 4.07Å; V65-V102 HydrophobicContact CG1-CB 4.07Å; V65-V102 HydrophobicContact CG1-CG1 4.12Å; V65-V102 HydrophobicContact CG1-CG2 4.1Å; V65-V102 HydrophobicContact CG2-CG2 4Å; V65-I114 HydrophobicContact CG2-CG2 4.03Å; V65-L115 PolarHBondContact N-O 2.95Å; V65-S116 PolarHBondContact O-OG 2.92Å; V65-V132 HydrophobicContact CG1-CG2 4.39Å; V65-A135 HydrophobicContact CG2-CB 3.79Å
66G83.1Confident87.2Confident35 Ų3545.1 Ų45.136%0.36124%0.243SC..THydrogen-bonded Turntrans90.415.2-174.100000114.3D64 V73D64-G66 PolarHBondContact O-N 3.35Å; G66-V73 VanDerWaalsContact CA-O 3.23Å; G66-V73 WeakPolarHBondContact CA-O 3.44Å; G66-V73 PolarHBondContact N-O 3.43Å
67A67.2Low87Confident36 Ų3643.7 Ų43.730%0.29824%0.243SC..SBendtrans-165.3-160-177.800000113.7D64 A72 V73D64-A67 VanDerWaalsContact CG-C 3.46Å; D64-A67 VanDerWaalsContact CG-CB 3.48Å; D64-A67 WeakPolarHBondContact OD1-CB 3.48Å; D64-A67 WeakPolarHBondContact OD2-CB 3.4Å; A67-A72 CarbonylContact O-C 3.43Å; A67-A72 VanDerWaalsContact O-C 3.27Å; A67-A72 WeakPolarHBondContact O-CA 3.49Å; A67-A72 WeakPolarHBondContact O-CB 3.45Å; A67-V73 PolarHBondContact N-O 2.88Å; A67-V73 PolarHBondContact O-N 3.34Å
68G62.2Low86.9Confident18 Ų1843.1 Ų43.119%0.18624%0.24CC..  trans-117.835.9-14600000118.3D64 A72 I95D64-G68 PolarHBondContact OD2-N 2.92Å; G68-A72 VanDerWaalsContact CA-CB 3.45Å; G68-I95 VanDerWaalsContact O-CD1 3.29Å; G68-I95 WeakPolarHBondContact O-CD1 3.42Å
69T61.9Low86.8Confident50 Ų5036.6 Ų36.631%0.30722%0.217SC..SBendtrans-125.8134.6178.949.70000114.2D64 H71D64-T69 VanDerWaalsContact CB-OG1 3.28Å; D64-T69 WeakPolarHBondContact CB-OG1 3.43Å; D64-T69 VanDerWaalsContact CG-OG1 3.31Å; D64-T69 PolarHBondContact OD2-N 3.45Å; D64-T69 VanDerWaalsContact OD2-N 3.16Å; D64-T69 PolarHBondContact OD2-OG1 3Å; T69-H71 VanDerWaalsContact C-N 3.29Å; T69-H71 CarbonylContact O-C 3.44Å; T69-H71 PolarHBondContact O-N 3.18Å; T69-H71 VanDerWaalsContact O-O 3.1Å
70V78.7Confident86.7Confident48 Ų4833.2 Ų33.229%0.29120%0.199SC..BIsolated β-bridgetrans39.2-73.9-170.6-173.80000115.1V61 V62 A94 I95 E96V61-V70 HydrophobicContact CG1-CG1 4.07Å; V62-V70 HydrophobicContact CB-CB 4.41Å; V62-V70 HydrophobicContact CB-CG2 4.36Å; V62-V70 WeakPolarHBondContact O-CB 3.42Å; V70-A94 WeakPolarHBondContact CA-O 3.45Å; V70-I95 CarbonylContact O-C 3.56Å; V70-I95 WeakPolarHBondContact O-CA 3.4Å; V70-E96 PolarHBondContact O-N 3.08Å
71H89.9Confident86.7Confident31 Ų3133.3 Ų33.314%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-103.1101.7162.5-63.7-71.7000109.4V61 V62 L63 D64 T69 E96 H98 L107V61-H71 VanDerWaalsContact CG1-CD2 3.49Å; V61-H71 WeakPolarHBondContact CG1-CD2 3.36Å; V62-H71 PolarHBondContact O-N 3.48Å; L63-H71 HydrophobicContact CD1-CB 3.66Å; D64-H71 PolarHBondContact N-O 3.42Å; T69-H71 VanDerWaalsContact C-N 3.29Å; T69-H71 CarbonylContact O-C 3.44Å; T69-H71 PolarHBondContact O-N 3.18Å; T69-H71 VanDerWaalsContact O-O 3.1Å; H71-E96 IonicContact CE1-OE2 2.78Å; H71-E96 PolarHBondContact CE1-OE2 3.38Å; H71-E96 VanDerWaalsContact CE1-OE2 3.27Å; H71-E96 IonicContact ND1-OE2 2.72Å; H71-E96 PolarHBondContact ND1-OE2 3.21Å; H71-E96 VanDerWaalsContact ND1-OE2 3.1Å; H71-H98 AromaticContact ND1-NE2 3.28Å; H71-H98 PolarHBondContact ND1-NE2 3.01Å; H71-L107 HydrophobicContact CB-CD2 4.48Å
72A91.1Very high86.6Confident0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-93105-17700000111.1A67 G68 L82 I95 E96 V97 H98A67-A72 CarbonylContact O-C 3.43Å; A67-A72 VanDerWaalsContact O-C 3.27Å; A67-A72 WeakPolarHBondContact O-CA 3.49Å; A67-A72 WeakPolarHBondContact O-CB 3.45Å; G68-A72 VanDerWaalsContact CA-CB 3.45Å; A72-L82 HydrophobicContact CB-CD2 4.15Å; A72-I95 HydrophobicContact CB-CG2 3.89Å; A72-E96 PolarHBondContact N-O 2.9Å; A72-V97 HydrophobicContact CB-CG2 4.13Å; A72-V97 CarbonylContact O-C 3.46Å; A72-V97 WeakPolarHBondContact O-CA 3.49Å; A72-H98 PolarHBondContact O-N 3.42Å
73V91.2Very high86.5Confident5 Ų534.2 Ų34.23%0.0321%0.205CC..EExtended strand (participates in β ladder)trans-97.4113.2-176.7-173.80000110L63 D64 G66 A67 H98 V100 V102 L105L63-V73 HydrophobicContact CD1-CG2 3.48Å; L63-V73 VanDerWaalsContact CD1-CG2 3.48Å; L63-V73 HydrophobicContact CG-CG2 4.49Å; D64-V73 PolarHBondContact O-N 3.02Å; G66-V73 VanDerWaalsContact CA-O 3.23Å; G66-V73 WeakPolarHBondContact CA-O 3.44Å; G66-V73 PolarHBondContact N-O 3.43Å; A67-V73 PolarHBondContact N-O 2.88Å; A67-V73 PolarHBondContact O-N 3.34Å; V73-H98 HydrophobicContact CG2-CB 4.32Å; V73-V100 WeakPolarHBondContact CG1-O 3.3Å; V73-V102 HydrophobicContact CG1-CB 4.18Å; V73-L105 HydrophobicContact CG2-CD1 4.09Å; V73-L105 HydrophobicContact CG2-CD2 3.72Å; V73-L105 HydrophobicContact CG2-CG 4.48Å
74E91.1Very high86.4Confident17 Ų1738.3 Ų38.38%0.07923%0.227CC..  trans-137.3114.3178.6176.954.4-89.200110A76 V78 H79 L82 H98 S99E74-A76 VanDerWaalsContact OE1-CB 3.28Å; E74-A76 WeakPolarHBondContact OE1-CB 3.49Å; E74-A76 PolarHBondContact OE1-N 3.47Å; E74-V78 HydrophobicContact CG-CG1 3.57Å; E74-V78 WeakPolarHBondContact OE2-CG1 3.41Å; E74-H79 HydrophobicContact CB-CB 4.03Å; E74-H79 HydrophobicContact CG-CB 3.85Å; E74-L82 HydrophobicContact CB-CD2 4.26Å; E74-H98 PolarHBondContact N-O 3.44Å; E74-S99 VanDerWaalsContact O-CA 3.32Å; E74-S99 WeakPolarHBondContact O-CA 3.46Å
75A89.3Confident86.5Confident30 Ų3042.6 Ų42.625%0.24825%0.249CC..  trans-92.3-17.2-178.300000113.2F24 R101F24-A75 HydrophobicContact CD1-CB 3.96Å; F24-A75 HydrophobicContact CE1-CB 3.45Å; F24-A75 VanDerWaalsContact CE1-CB 3.45Å; F24-A75 HydrophobicContact CZ-CB 3.82Å; A75-R101 HydrophobicContact CB-CG 4.04Å
76A89Confident86.7Confident1 Ų142.8 Ų42.81%0.00825%0.25CS..SBendtrans-76.6161.2174.400000111.6F24 E74 V78 H79F24-A76 HydrophobicContact CB-CB 4.44Å; F24-A76 HydrophobicContact CD1-CB 4.3Å; E74-A76 VanDerWaalsContact OE1-CB 3.28Å; E74-A76 WeakPolarHBondContact OE1-CB 3.49Å; E74-A76 PolarHBondContact OE1-N 3.47Å; A76-V78 HydrophobicContact CB-CG1 4.16Å; A76-V78 PolarHBondContact O-N 2.99Å; A76-H79 PolarHBondContact O-N 2.91Å; A76-H79 VanDerWaalsContact O-N 3.13Å; A76-H79 PolarHBondContact O-ND1 2.95Å
77D88.9Confident87.3Confident119 Ų11948.1 Ų48.164%0.63626%0.259SS*.THydrogen-bonded Turntrans-63.5-14.4-177.6-71.8-20.9000113.6A28 H79 N80A28-D77 HydrophobicContact CB-CB 4.5Å; D77-H79 PolarHBondContact O-N 2.87Å; D77-H79 VanDerWaalsContact O-N 3.16Å; D77-N80 PolarHBondContact O-N 3.36Å; D77-N80 PolarHBondContact O-ND2 3.43Å; D77-N80 VanDerWaalsContact O-ND2 3.17Å
78V90.8Very high88.7Confident17 Ų1750.2 Ų50.210%0.10328%0.277CS..THydrogen-bonded Turntrans-62.2-16.4174.376.90000113.1L30 E74 A76 N80 H81 L82L30-V78 HydrophobicContact CD2-CG2 4.11Å; E74-V78 HydrophobicContact CG-CG1 3.57Å; E74-V78 WeakPolarHBondContact OE2-CG1 3.41Å; A76-V78 HydrophobicContact CB-CG1 4.16Å; A76-V78 PolarHBondContact O-N 2.99Å; V78-N80 PolarHBondContact O-N 2.71Å; V78-N80 VanDerWaalsContact O-N 3.11Å; V78-H81 HydrophobicContact CG2-CB 4.42Å; V78-H81 WeakPolarHBondContact O-CB 3.49Å; V78-H81 PolarHBondContact O-N 3.06Å; V78-L82 PolarHBondContact O-N 3.48Å
79H90.7Very high90.4Very high31 Ų3154.2 Ų54.214%0.14429%0.294CS..Hα-helixtrans-54.3-31.9175.774-87.8000112.9E74 A76 D77 H81 L82 V83 V97 S99E74-H79 HydrophobicContact CB-CB 4.03Å; E74-H79 HydrophobicContact CG-CB 3.85Å; A76-H79 PolarHBondContact O-N 2.91Å; A76-H79 VanDerWaalsContact O-N 3.13Å; A76-H79 PolarHBondContact O-ND1 2.95Å; D77-H79 PolarHBondContact O-N 2.87Å; D77-H79 VanDerWaalsContact O-N 3.16Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.02Å; H79-L82 WeakPolarHBondContact O-CB 3.38Å; H79-L82 PolarHBondContact O-N 2.94Å; H79-L82 VanDerWaalsContact O-N 3.16Å; H79-V83 WeakPolarHBondContact O-CG2 3.17Å; H79-V83 PolarHBondContact O-N 3.38Å; H79-V97 HydrophobicContact CB-CG1 4.32Å; H79-S99 PolarHBondContact CD2-OG 3.35Å; H79-S99 PolarHBondContact CE1-OG 3.45Å; H79-S99 VanDerWaalsContact CG-OG 3.28Å; H79-S99 PolarHBondContact ND1-OG 3.23Å; H79-S99 VanDerWaalsContact ND1-OG 3.16Å; H79-S99 PolarHBondContact NE2-OG 2.87Å
80N91.5Very high92Very high89 Ų8960 Ų6048%0.47631%0.314SS..Hα-helixtrans-61.5-44.2176.6-69.1-65.3000111.1D77 V78 L82 V83 D84D77-N80 PolarHBondContact O-N 3.36Å; D77-N80 PolarHBondContact O-ND2 3.43Å; D77-N80 VanDerWaalsContact O-ND2 3.17Å; V78-N80 PolarHBondContact O-N 2.71Å; V78-N80 VanDerWaalsContact O-N 3.11Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-V83 PolarHBondContact O-N 3.36Å; N80-D84 PolarHBondContact O-N 3.42Å
81H92.9Very high92.8Very high94 Ų9461.4 Ų61.444%0.43532%0.32SS..Hα-helixtrans-66.4-37.3174.5-61.2-50.3000111.5V78 H79 V83 D84 I85V78-H81 HydrophobicContact CG2-CB 4.42Å; V78-H81 WeakPolarHBondContact O-CB 3.49Å; V78-H81 PolarHBondContact O-N 3.06Å; H79-H81 VanDerWaalsContact C-N 3.33Å; H79-H81 PolarHBondContact O-N 3.02Å; H81-V83 PolarHBondContact O-N 3.07Å; H81-D84 PolarHBondContact O-N 3.34Å; H81-I85 WeakPolarHBondContact O-CB 3.26Å; H81-I85 WeakPolarHBondContact O-CD1 3.14Å; H81-I85 WeakPolarHBondContact O-CG1 3.38Å; H81-I85 PolarHBondContact O-N 2.84Å
82L92.2Very high93Very high31 Ų3164.6 Ų64.616%0.16234%0.335CS..Hα-helixtrans-60.6-43.8176.1-17857.3000111.8A72 E74 V78 H79 N80 D84 I85 V86 V97A72-L82 HydrophobicContact CB-CD2 4.15Å; E74-L82 HydrophobicContact CB-CD2 4.26Å; V78-L82 PolarHBondContact O-N 3.48Å; H79-L82 WeakPolarHBondContact O-CB 3.38Å; H79-L82 PolarHBondContact O-N 2.94Å; H79-L82 VanDerWaalsContact O-N 3.16Å; N80-L82 VanDerWaalsContact C-N 3.33Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 PolarHBondContact O-N 3.07Å; L82-I85 PolarHBondContact O-N 3.25Å; L82-V86 HydrophobicContact CD1-CG2 4.37Å; L82-V86 VanDerWaalsContact O-CG2 3.3Å; L82-V86 WeakPolarHBondContact O-CG2 3.48Å; L82-V86 PolarHBondContact O-N 3.37Å; L82-V97 HydrophobicContact CD2-CG1 3.94Å; L82-V97 HydrophobicContact CD2-CG2 4.17Å; L82-V97 HydrophobicContact CG-CG1 4.31Å; L82-V97 HydrophobicContact CG-CG2 3.95Å
83V93.7Very high93.1Very high52 Ų5272 Ų7232%0.31538%0.375SS..Hα-helixtrans-59-44.9174.7171.90000111.3H79 N80 H81 V86 R87 V97H79-V83 WeakPolarHBondContact O-CG2 3.17Å; H79-V83 PolarHBondContact O-N 3.38Å; N80-V83 PolarHBondContact O-N 3.36Å; H81-V83 PolarHBondContact O-N 3.07Å; V83-V86 PolarHBondContact O-N 2.87Å; V83-R87 PolarHBondContact O-N 3.06Å; V83-V97 HydrophobicContact CG2-CB 3.87Å; V83-V97 HydrophobicContact CG2-CG1 4.05Å; V83-V97 HydrophobicContact CG2-CG2 4.04Å
84D95.3Very high93.1Very high86 Ų8674.4 Ų74.446%0.4640%0.395SS..Hα-helixtrans-67.1-37178.4-74.3-24.1000112.4N80 H81 L82 R87 A88N80-D84 PolarHBondContact O-N 3.42Å; H81-D84 PolarHBondContact O-N 3.34Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 PolarHBondContact O-N 3.07Å; D84-R87 PolarHBondContact O-N 3.42Å; D84-R87 IonicContact OD1-NH1 3.27Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; D84-R87 VanDerWaalsContact OD1-NH1 3.1Å; D84-A88 VanDerWaalsContact O-CB 3.22Å; D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 3.11Å
85I94.7Very high93.3Very high98 Ų9874.7 Ų74.750%0.50340%0.397SS..Hα-helixtrans-64.9-45.1174.9-70.6163.1000110.7H81 L82 R87 A88 N89H81-I85 WeakPolarHBondContact O-CB 3.26Å; H81-I85 WeakPolarHBondContact O-CD1 3.14Å; H81-I85 WeakPolarHBondContact O-CG1 3.38Å; H81-I85 PolarHBondContact O-N 2.84Å; L82-I85 PolarHBondContact O-N 3.25Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 3.11Å; I85-A88 PolarHBondContact O-N 3Å; I85-N89 PolarHBondContact O-N 3.09Å; I85-N89 PolarHBondContact O-ND2 3.15Å
86V94.8Very high93.5Very high11 Ų1178.3 Ų78.37%0.06741%0.409CS..Hα-helixtrans-58.1-47.4176.8167.50000110.2L82 V83 N89 K90 L91 E92 I95 V97L82-V86 HydrophobicContact CD1-CG2 4.37Å; L82-V86 VanDerWaalsContact O-CG2 3.3Å; L82-V86 WeakPolarHBondContact O-CG2 3.48Å; L82-V86 PolarHBondContact O-N 3.37Å; V83-V86 PolarHBondContact O-N 2.87Å; V86-N89 PolarHBondContact O-N 3.2Å; V86-K90 PolarHBondContact O-N 2.88Å; V86-L91 HydrophobicContact CG1-CB 4.14Å; V86-L91 PolarHBondContact O-N 2.85Å; V86-E92 HydrophobicContact CG1-CB 4.42Å; V86-I95 HydrophobicContact CG1-CB 4.05Å; V86-I95 HydrophobicContact CG2-CB 4.15Å; V86-I95 HydrophobicContact CG2-CD1 4.24Å; V86-I95 HydrophobicContact CG2-CG2 3.86Å; V86-V97 HydrophobicContact CG2-CG2 4.23Å
87R95.8Very high93.8Very high147 Ų14779.9 Ų79.956%0.55542%0.418SS*.Hα-helixtrans-65.2-43.5177.9-170.4-174.3-64.4130.80.9112.3V83 D84 I85 N89 K90V83-R87 PolarHBondContact O-N 3.06Å; D84-R87 PolarHBondContact O-N 3.42Å; D84-R87 IonicContact OD1-NH1 3.27Å; D84-R87 PolarHBondContact OD1-NH1 3.37Å; D84-R87 VanDerWaalsContact OD1-NH1 3.1Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 3.11Å; R87-N89 PolarHBondContact O-N 3.39Å; R87-K90 PolarHBondContact O-N 3.05Å; R87-K90 VanDerWaalsContact O-N 3.08Å
88A97.4Very high94.1Very high80 Ų8075.7 Ų75.766%0.66140%0.395SS*.Hα-helixtrans-62-29.717900000112.3D84 I85D84-A88 VanDerWaalsContact O-CB 3.22Å; D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 3.11Å; I85-A88 PolarHBondContact O-N 3Å
89N96.7Very high94.2Very high102 Ų10277.6 Ų77.655%0.54541%0.409SS..THydrogen-bonded Turntrans-94.34.8177.3-70.2-81.9000114I85 V86 R87 L91I85-N89 PolarHBondContact O-N 3.09Å; I85-N89 PolarHBondContact O-ND2 3.15Å; V86-N89 PolarHBondContact O-N 3.2Å; R87-N89 PolarHBondContact O-N 3.39Å; N89-L91 VanDerWaalsContact C-N 3.28Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CG 4.13Å; N89-L91 PolarHBondContact O-N 3.17Å
90K97Very high94.3Very high170 Ų17078.7 Ų78.774%0.73942%0.418SS*.THydrogen-bonded Turntrans59.535.8179.6-53177.4-177177.10113.4V86 R87 E92V86-K90 PolarHBondContact O-N 2.88Å; R87-K90 PolarHBondContact O-N 3.05Å; R87-K90 VanDerWaalsContact O-N 3.08Å; K90-E92 VanDerWaalsContact C-OE2 3.23Å; K90-E92 WeakPolarHBondContact CA-OE2 3.23Å
91L95.4Very high94.3Very high78 Ų7878.2 Ų78.241%0.40841%0.409SS..  trans-104.88.5-178.2-63.3173.7000112.5V86 N89 N93 A94 I95V86-L91 HydrophobicContact CG1-CB 4.14Å; V86-L91 PolarHBondContact O-N 2.85Å; N89-L91 VanDerWaalsContact C-N 3.28Å; N89-L91 HydrophobicContact CB-CD1 4Å; N89-L91 HydrophobicContact CB-CG 4.13Å; N89-L91 PolarHBondContact O-N 3.17Å; L91-N93 PolarHBondContact O-N 2.9Å; L91-N93 VanDerWaalsContact O-N 3.12Å; L91-A94 CarbonylContact O-C 3.51Å; L91-A94 WeakPolarHBondContact O-CA 3.26Å; L91-A94 PolarHBondContact O-N 2.92Å; L91-I95 HydrophobicContact CB-CD1 3.76Å; L91-I95 HydrophobicContact CB-CG1 4.31Å; L91-I95 HydrophobicContact CD1-CD1 3.79Å; L91-I95 HydrophobicContact CG-CD1 4.36Å; L91-I95 PolarHBondContact O-N 3.26Å
92E93.6Very high94.4Very high98 Ų9874 Ų7446%0.45839%0.39SS..THydrogen-bonded Turntrans-59.8-23.6-178.761.5-84.6-173.600114.3V86 K90 A94V86-E92 HydrophobicContact CG1-CB 4.42Å; K90-E92 VanDerWaalsContact C-OE2 3.23Å; K90-E92 WeakPolarHBondContact CA-OE2 3.23Å; E92-A94 VanDerWaalsContact C-N 3.32Å
93N93.3Very high94.5Very high156 Ų15675.8 Ų75.883%0.83440%0.398SS*.THydrogen-bonded Turntrans-84.1-10.6175.7-61.6-50.6000113L91L91-N93 PolarHBondContact O-N 2.9Å; L91-N93 VanDerWaalsContact O-N 3.12Å
94A91.9Very high94.5Very high56 Ų5677.7 Ų77.746%0.46341%0.406SS..THydrogen-bonded Turntrans-117.7-22.4-174.900000113V70 L91 E92V70-A94 WeakPolarHBondContact CA-O 3.45Å; L91-A94 CarbonylContact O-C 3.51Å; L91-A94 WeakPolarHBondContact O-CA 3.26Å; L91-A94 PolarHBondContact O-N 2.92Å; E92-A94 VanDerWaalsContact C-N 3.32Å
95I94Very high94.5Very high23 Ų2374.1 Ų74.112%0.11839%0.387CS..  trans-128.8121.1-177.1-56.2166.3000109.3G68 V70 A72 V86 L91 V97G68-I95 VanDerWaalsContact O-CD1 3.29Å; G68-I95 WeakPolarHBondContact O-CD1 3.42Å; V70-I95 CarbonylContact O-C 3.56Å; V70-I95 WeakPolarHBondContact O-CA 3.4Å; A72-I95 HydrophobicContact CB-CG2 3.89Å; V86-I95 HydrophobicContact CG1-CB 4.05Å; V86-I95 HydrophobicContact CG2-CB 4.15Å; V86-I95 HydrophobicContact CG2-CD1 4.24Å; V86-I95 HydrophobicContact CG2-CG2 3.86Å; L91-I95 HydrophobicContact CB-CD1 3.76Å; L91-I95 HydrophobicContact CB-CG1 4.31Å; L91-I95 HydrophobicContact CD1-CD1 3.79Å; L91-I95 HydrophobicContact CG-CD1 4.36Å; L91-I95 PolarHBondContact O-N 3.26Å; I95-V97 HydrophobicContact CG2-CG2 4.49Å
96E94.3Very high94.4Very high105 Ų10574.6 Ų74.649%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-104.7128.2170.3-173.4-173.4-159.100109.3V70 H71 A72 H98V70-E96 PolarHBondContact O-N 3.08Å; H71-E96 IonicContact CE1-OE2 2.78Å; H71-E96 PolarHBondContact CE1-OE2 3.38Å; H71-E96 VanDerWaalsContact CE1-OE2 3.27Å; H71-E96 IonicContact ND1-OE2 2.72Å; H71-E96 PolarHBondContact ND1-OE2 3.21Å; H71-E96 VanDerWaalsContact ND1-OE2 3.1Å; A72-E96 PolarHBondContact N-O 2.9Å; E96-H98 VanDerWaalsContact CD-CE1 3.49Å; E96-H98 WeakPolarHBondContact CG-NE2 3.15Å; E96-H98 IonicContact OE1-CE1 2.74Å; E96-H98 IonicContact OE1-NE2 3.85Å; E96-H98 IonicContact OE2-CE1 3.66Å; E96-H98 PolarHBondContact OE2-CE1 2.91Å; E96-H98 IonicContact OE2-NE2 2.83Å; E96-H98 PolarHBondContact OE2-NE2 3.31Å
97V94.8Very high94.4Very high35 Ų3574.9 Ų74.921%0.21240%0.399CS..EExtended strand (participates in β ladder)trans-99.1126-179.5-176.90000110.3A72 H79 L82 V83 V86 I95A72-V97 HydrophobicContact CB-CG2 4.13Å; A72-V97 CarbonylContact O-C 3.46Å; A72-V97 WeakPolarHBondContact O-CA 3.49Å; H79-V97 HydrophobicContact CB-CG1 4.32Å; L82-V97 HydrophobicContact CD2-CG1 3.94Å; L82-V97 HydrophobicContact CD2-CG2 4.17Å; L82-V97 HydrophobicContact CG-CG1 4.31Å; L82-V97 HydrophobicContact CG-CG2 3.95Å; V83-V97 HydrophobicContact CG2-CB 3.87Å; V83-V97 HydrophobicContact CG2-CG1 4.05Å; V83-V97 HydrophobicContact CG2-CG2 4.04Å; V86-V97 HydrophobicContact CG2-CG2 4.23Å; I95-V97 HydrophobicContact CG2-CG2 4.49Å
98H94.7Very high94.2Very high30 Ų3077.6 Ų77.614%0.13942%0.418CS..EExtended strand (participates in β ladder)trans-108.4105.2-179.1-68.5-89.3000109.6H71 A72 V73 E74 E96 V100 L105H71-H98 AromaticContact ND1-NE2 3.28Å; H71-H98 PolarHBondContact ND1-NE2 3.01Å; A72-H98 PolarHBondContact O-N 3.42Å; V73-H98 HydrophobicContact CG2-CB 4.32Å; E74-H98 PolarHBondContact N-O 3.44Å; E96-H98 VanDerWaalsContact CD-CE1 3.49Å; E96-H98 WeakPolarHBondContact CG-NE2 3.15Å; E96-H98 IonicContact OE1-CE1 2.74Å; E96-H98 IonicContact OE1-NE2 3.85Å; E96-H98 IonicContact OE2-CE1 3.66Å; E96-H98 PolarHBondContact OE2-CE1 2.91Å; E96-H98 IonicContact OE2-NE2 2.83Å; E96-H98 PolarHBondContact OE2-NE2 3.31Å; H98-V100 HydrophobicContact CB-CG2 4.21Å; H98-V100 PolarHBondContact O-N 3.22Å; H98-L105 HydrophobicContact CB-CD1 3.72Å
99S93.2Very high94Very high57 Ų5778 Ų7840%0.39941%0.412SS..  trans-83.764178.9-171.20000112.1E74 H79E74-S99 VanDerWaalsContact O-CA 3.32Å; E74-S99 WeakPolarHBondContact O-CA 3.46Å; H79-S99 PolarHBondContact CD2-OG 3.35Å; H79-S99 PolarHBondContact CE1-OG 3.45Å; H79-S99 VanDerWaalsContact CG-OG 3.28Å; H79-S99 PolarHBondContact ND1-OG 3.23Å; H79-S99 VanDerWaalsContact ND1-OG 3.16Å; H79-S99 PolarHBondContact NE2-OG 2.87Å
100V93.5Very high94Very high55 Ų5577.6 Ų77.633%0.33341%0.406SS..SBendtrans-147.7161-178.8-66.10000110.1V73 H98 L105V73-V100 WeakPolarHBondContact CG1-O 3.3Å; H98-V100 HydrophobicContact CB-CG2 4.21Å; H98-V100 PolarHBondContact O-N 3.22Å; V100-L105 HydrophobicContact CG2-CB 4.21Å; V100-L105 HydrophobicContact CG2-CD1 3.86Å
101R92.1Very high93.9Very high79 Ų7969.5 Ų69.530%0.29837%0.371SS..  trans-65.3148.1166.2-58.7-176.1-58.5157.813.5109E20 F24 A75 E103 D104 L105E20-R101 IonicContact OE2-NH1 3.1Å; F24-R101 HydrophobicContact CE2-CG 4.39Å; F24-R101 HydrophobicContact CZ-CG 4.1Å; A75-R101 HydrophobicContact CB-CG 4.04Å; R101-E103 PolarHBondContact O-N 3.41Å; R101-E103 VanDerWaalsContact O-N 3.15Å; R101-D104 IonicContact CZ-OD1 3.7Å; R101-D104 IonicContact CZ-OD2 3.03Å; R101-D104 IonicContact NE-OD2 3.99Å; R101-D104 PolarHBondContact NE-OD2 2.94Å; R101-D104 VanDerWaalsContact NH2-CG 3.25Å; R101-D104 IonicContact NH2-OD1 3.42Å; R101-D104 PolarHBondContact NH2-OD1 2.91Å; R101-D104 IonicContact NH2-OD2 3.98Å; R101-D104 PolarHBondContact NH2-OD2 3.17Å; R101-D104 CarbonylContact O-C 3.57Å; R101-D104 PolarHBondContact O-N 2.88Å; R101-L105 PolarHBondContact O-N 2.88Å
102V93.6Very high94Very high6 Ų667.9 Ų67.94%0.03636%0.362CS..THydrogen-bonded Turntrans-62.4-25.5178.374.20000112.3V65 V73 D104 L105 S131 A135V65-V102 HydrophobicContact CG1-CB 4.07Å; V65-V102 HydrophobicContact CG1-CG1 4.12Å; V65-V102 HydrophobicContact CG1-CG2 4.1Å; V65-V102 HydrophobicContact CG2-CG2 4Å; V73-V102 HydrophobicContact CG1-CB 4.18Å; V102-D104 VanDerWaalsContact C-N 3.31Å; V102-L105 HydrophobicContact CG2-CD2 4.46Å; V102-L105 WeakPolarHBondContact O-CB 3.48Å; V102-L105 PolarHBondContact O-N 3.37Å; V102-S131 WeakPolarHBondContact CG1-O 3.47Å; V102-A135 HydrophobicContact CG2-CB 3.57Å
103E94.5Very high94.1Very high68 Ų6863.3 Ų63.332%0.31834%0.341SS..THydrogen-bonded Turntrans-71.8-21.7173.2-62.582.8176.100114.3R101 S131 H134R101-E103 PolarHBondContact O-N 3.41Å; R101-E103 VanDerWaalsContact O-N 3.15Å; E103-S131 VanDerWaalsContact OE1-CA 3.29Å; E103-S131 WeakPolarHBondContact OE1-CA 3.46Å; E103-S131 VanDerWaalsContact OE1-CB 3.23Å; E103-S131 WeakPolarHBondContact OE1-CB 3.39Å; E103-S131 PolarHBondContact OE1-OG 3.21Å; E103-H134 WeakPolarHBondContact CA-NE2 3.47Å; E103-H134 HydrophobicContact CG-CB 4.47Å
104D94.9Very high94.3Very high92 Ų9256 Ų5649%0.49230%0.302SS..THydrogen-bonded Turntrans-105.3-0.3176.7-54.6-45.1000112.1R101 V102R101-D104 IonicContact CZ-OD1 3.7Å; R101-D104 IonicContact CZ-OD2 3.03Å; R101-D104 IonicContact NE-OD2 3.99Å; R101-D104 PolarHBondContact NE-OD2 2.94Å; R101-D104 VanDerWaalsContact NH2-CG 3.25Å; R101-D104 IonicContact NH2-OD1 3.42Å; R101-D104 PolarHBondContact NH2-OD1 2.91Å; R101-D104 IonicContact NH2-OD2 3.98Å; R101-D104 PolarHBondContact NH2-OD2 3.17Å; R101-D104 CarbonylContact O-C 3.57Å; R101-D104 PolarHBondContact O-N 2.88Å; V102-D104 VanDerWaalsContact C-N 3.31Å
105L94.7Very high94.5Very high10 Ų1054 Ų545%0.05228%0.283CS..  trans-61.1143.8176.6-175.768.5000110.3L63 V73 H98 V100 R101 V102 L107 W139L63-L105 HydrophobicContact CD1-CD2 3.74Å; L63-L105 HydrophobicContact CD2-CD2 4.22Å; V73-L105 HydrophobicContact CG2-CD1 4.09Å; V73-L105 HydrophobicContact CG2-CD2 3.72Å; V73-L105 HydrophobicContact CG2-CG 4.48Å; H98-L105 HydrophobicContact CB-CD1 3.72Å; V100-L105 HydrophobicContact CG2-CB 4.21Å; V100-L105 HydrophobicContact CG2-CD1 3.86Å; R101-L105 PolarHBondContact O-N 2.88Å; V102-L105 HydrophobicContact CG2-CD2 4.46Å; V102-L105 WeakPolarHBondContact O-CB 3.48Å; V102-L105 PolarHBondContact O-N 3.37Å; L105-L107 HydrophobicContact CD1-CD2 4Å; L105-L107 HydrophobicContact CD2-CD1 3.99Å; L105-L107 HydrophobicContact CD2-CD2 4.07Å; L105-L107 HydrophobicContact CD2-CG 3.87Å; L105-L107 HydrophobicContact CG-CD2 4.06Å; L105-L107 HydrophobicContact CG-CG 4.02Å; L105-W139 WeakPolarHBondContact O-CZ2 3.22Å
106C93.1Very high94.5Very high109 Ų10953 Ų5374%0.73628%0.278SS*.  trans-135.7110172.4-169.20000108.9
107L93.4Very high94.3Very high17 Ų1750.2 Ų50.29%0.08927%0.265CS..  trans-103.7149.1174.6-54.2176.4000110.2L63 H71 L105 T109 V111 W139L63-L107 HydrophobicContact CD1-CD1 4.25Å; H71-L107 HydrophobicContact CB-CD2 4.48Å; L105-L107 HydrophobicContact CD1-CD2 4Å; L105-L107 HydrophobicContact CD2-CD1 3.99Å; L105-L107 HydrophobicContact CD2-CD2 4.07Å; L105-L107 HydrophobicContact CD2-CG 3.87Å; L105-L107 HydrophobicContact CG-CD2 4.06Å; L105-L107 HydrophobicContact CG-CG 4.02Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 WeakPolarHBondContact CB-O 3.36Å; L107-T109 PolarHBondContact O-N 3.42Å; L107-V111 HydrophobicContact CD1-CG1 3.93Å; L107-W139 HydrophobicContact CB-CD2 4.41Å; L107-W139 HydrophobicContact CB-CE3 3.7Å; L107-W139 HydrophobicContact CB-CH2 4.24Å; L107-W139 HydrophobicContact CB-CZ3 3.59Å; L107-W139 HydrophobicContact CD1-CB 4.45Å; L107-W139 HydrophobicContact CD1-CD2 4.03Å; L107-W139 HydrophobicContact CD1-CE3 3.94Å; L107-W139 HydrophobicContact CD1-CG 4.23Å; L107-W139 HydrophobicContact CG-CD2 4.21Å; L107-W139 HydrophobicContact CG-CE3 3.98Å; L107-W139 HydrophobicContact CG-CZ3 4.22Å; L107-W139 WeakPolarHBondContact O-CZ3 3.46Å
108E92Very high94Very high203 Ų20349.6 Ų49.695%0.94926%0.259SS*.SBendtrans-68.4-30.6175-61.7-173.4167.500112.2
109T92.9Very high93.6Very high90 Ų9049.6 Ų49.655%0.55226%0.26SS*.SBendtrans-138.9156.6-177.2620000111.1L107L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 WeakPolarHBondContact CB-O 3.36Å; L107-T109 PolarHBondContact O-N 3.42Å
110K96.2Very high93Very high93 Ų9347.2 Ų47.240%0.40424%0.244SC..  trans-73.2148.6171.8-75.7-172.1171.2-127.80111.1Q138 W139 L140 N141K110-Q138 WeakPolarHBondContact CE-O 3.45Å; K110-Q138 PolarHBondContact NZ-O 3.05Å; K110-W139 CarbonylContact C-O 3.51Å; K110-W139 WeakPolarHBondContact CA-O 3.26Å; K110-W139 WeakPolarHBondContact CB-O 3.46Å; K110-L140 PolarHBondContact NZ-O 3.15Å; K110-N141 WeakPolarHBondContact CB-OD1 3.2Å; K110-N141 PolarHBondContact O-ND2 3.26Å; K110-N141 VanDerWaalsContact O-ND2 3.11Å
111V96.2Very high92.4Very high0 Ų053.9 Ų53.90%027%0.265CS..EExtended strand (participates in β ladder)trans-91.1156.9-179.6-57.80000112.5V61 L63 L107 C113 I114 W139 L140 N141V61-V111 HydrophobicContact CG1-CB 4.27Å; V61-V111 HydrophobicContact CG1-CG1 3.74Å; L63-V111 HydrophobicContact CB-CB 4.25Å; L63-V111 HydrophobicContact CB-CG1 3.93Å; L63-V111 HydrophobicContact CB-CG2 3.73Å; L107-V111 HydrophobicContact CD1-CG1 3.93Å; V111-C113 WeakPolarHBondContact CG2-O 3.31Å; V111-I114 HydrophobicContact CG2-CG1 3.97Å; V111-W139 HydrophobicContact CG2-CB 4.45Å; V111-W139 WeakPolarHBondContact CG2-O 3.23Å; V111-W139 PolarHBondContact N-O 3.44Å; V111-L140 HydrophobicContact CG2-CD1 4.29Å; V111-N141 WeakPolarHBondContact O-CB 3.35Å; V111-N141 PolarHBondContact O-N 3.34Å; V111-N141 PolarHBondContact O-ND2 3.08Å
112D96.6Very high91.9Very high44 Ų4451.1 Ų51.124%0.23526%0.261CS..EExtended strand (participates in β ladder)trans-85-25.4176.1-62.5-89.2000112.5K60 V61 G144 L145K60-D112 HydrophobicContact CB-CB 3.83Å; K60-D112 HydrophobicContact CD-CB 4.09Å; K60-D112 HydrophobicContact CG-CB 4.11Å; K60-D112 IonicContact NZ-OD1 3.07Å; K60-D112 PolarHBondContact NZ-OD1 2.74Å; V61-D112 PolarHBondContact N-OD2 3.17Å; V61-D112 PolarHBondContact O-N 2.61Å; D112-G144 CarbonylContact O-C 3.58Å; D112-G144 WeakPolarHBondContact O-CA 3.5Å; D112-L145 PolarHBondContact O-N 3.12Å
113C96.8Very high91.4Very high2 Ų251.5 Ų51.51%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-141.7142.8-177.6-175.50000111.4L57 V61 V62 L63 V111 L145L57-C113 HydrophobicContact CD2-CB 3.72Å; V61-C113 PolarHBondContact O-N 2.92Å; V62-C113 CarbonylContact C-O 3.35Å; V62-C113 WeakPolarHBondContact CA-O 3.46Å; V62-C113 HydrophobicContact CG1-CB 4.28Å; V62-C113 HydrophobicContact CG2-CB 4.14Å; L63-C113 PolarHBondContact N-O 3.32Å; V111-C113 WeakPolarHBondContact CG2-O 3.31Å; C113-L145 CarbonylContact C-O 3.56Å; C113-L145 WeakPolarHBondContact CA-O 3.25Å; C113-L145 HydrophobicContact CB-CB 4.2Å
114I97Very high90.8Very high1 Ų153.6 Ų53.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-113.5123.8164-69.5165.6000108.7L63 V65 V111 A135 R136 L140 L145 M146 I147L63-I114 HydrophobicContact CB-CG1 4.06Å; L63-I114 HydrophobicContact CD2-CD1 4.46Å; L63-I114 HydrophobicContact CD2-CG1 4.18Å; L63-I114 CarbonylContact O-C 3.57Å; L63-I114 VanDerWaalsContact O-CA 3.29Å; L63-I114 WeakPolarHBondContact O-CA 3.45Å; V65-I114 HydrophobicContact CG2-CG2 4.03Å; V111-I114 HydrophobicContact CG2-CG1 3.97Å; I114-A135 HydrophobicContact CD1-CB 4.11Å; I114-R136 VanDerWaalsContact CD1-CA 3.48Å; I114-R136 HydrophobicContact CD1-CB 4.27Å; I114-L140 HydrophobicContact CD1-CB 3.89Å; I114-L140 HydrophobicContact CD1-CD1 4.2Å; I114-L140 HydrophobicContact CD1-CG 4.47Å; I114-L140 HydrophobicContact CG1-CD1 4.07Å; I114-L145 PolarHBondContact N-O 2.89Å; I114-M146 HydrophobicContact CB-CE 4.16Å; I114-M146 HydrophobicContact CB-SD 3.66Å; I114-M146 HydrophobicContact CD1-SD 3.96Å; I114-M146 HydrophobicContact CG1-SD 4.33Å; I114-M146 HydrophobicContact CG2-CE 3.92Å; I114-M146 HydrophobicContact CG2-SD 4.1Å; I114-M146 CarbonylContact O-C 3.56Å; I114-M146 WeakPolarHBondContact O-CA 3.4Å; I114-I147 PolarHBondContact O-N 2.78Å
115L95.3Very high90Very high15 Ų1553 Ų538%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-103.2134.7168.5-179.366000107.5Y46 I50 V62 L63 D64 V65 I147Y46-L115 HydrophobicContact CD1-CD1 3.8Å; Y46-L115 HydrophobicContact CE1-CD1 4.17Å; I50-L115 HydrophobicContact CD1-CD1 4.39Å; I50-L115 HydrophobicContact CD1-CD2 3.89Å; I50-L115 HydrophobicContact CG1-CD1 4.39Å; I50-L115 HydrophobicContact CG1-CD2 4.49Å; V62-L115 HydrophobicContact CG1-CB 4.14Å; L63-L115 PolarHBondContact O-N 2.88Å; D64-L115 WeakPolarHBondContact CA-O 3.44Å; V65-L115 PolarHBondContact N-O 2.95Å; L115-I147 HydrophobicContact CD1-CB 3.7Å; L115-I147 HydrophobicContact CD1-CG2 3.58Å
116S93.7Very high89.2Confident1 Ų154.3 Ų54.31%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-156.6135.7173.4-1730000112.4Y46 V65 V132 I147 P148Y46-S116 WeakPolarHBondContact CE1-O 3.28Å; Y46-S116 PolarHBondContact OH-O 3.25Å; V65-S116 PolarHBondContact O-OG 2.92Å; S116-V132 VanDerWaalsContact OG-CG2 3.3Å; S116-V132 WeakPolarHBondContact OG-CG2 3.46Å; S116-I147 PolarHBondContact N-O 2.93Å; S116-P148 WeakPolarHBondContact O-CD 3.32Å
117E90.7Very high88.6Confident47 Ų4758.2 Ų58.222%0.2228%0.278CS..  trans-93.998.7161.9-149.1-68.996.800107.6R42 Y46 M119 M128R42-E117 IonicContact CZ-OE2 2.63Å; R42-E117 IonicContact NH1-OE2 2.76Å; R42-E117 PolarHBondContact NH1-OE2 3.3Å; Y46-E117 HydrophobicContact CE2-CB 4.32Å; Y46-E117 HydrophobicContact CE2-CG 3.62Å; Y46-E117 VanDerWaalsContact OH-CA 3.3Å; Y46-E117 WeakPolarHBondContact OH-CA 3.29Å; E117-M119 PolarHBondContact OE1-N 2.95Å; E117-M128 WeakPolarHBondContact O-CE 3.37Å
118W88.9Confident88.3Confident23 Ų2358.1 Ų58.19%0.08728%0.277CS..  trans-126.3-1.1-17564.9-89.5000112.8G120 L123 M128 L129 V132 A151W118-G120 PolarHBondContact O-N 3.13Å; W118-L123 HydrophobicContact CE3-CD1 4.42Å; W118-L123 HydrophobicContact CH2-CD1 3.42Å; W118-L123 VanDerWaalsContact CH2-CD1 3.42Å; W118-L123 HydrophobicContact CH2-CD2 4.19Å; W118-L123 HydrophobicContact CH2-CG 3.81Å; W118-L123 HydrophobicContact CZ2-CD1 4.21Å; W118-L123 HydrophobicContact CZ3-CD1 3.54Å; W118-L123 HydrophobicContact CZ3-CG 3.79Å; W118-M128 HydrophobicContact CB-CB 3.67Å; W118-M128 HydrophobicContact CB-CE 4.47Å; W118-M128 HydrophobicContact CB-SD 4.4Å; W118-L129 HydrophobicContact CE3-CB 3.74Å; W118-L129 HydrophobicContact CE3-CD1 4.12Å; W118-L129 HydrophobicContact CE3-CG 4.46Å; W118-L129 HydrophobicContact CH2-CB 4.47Å; W118-L129 HydrophobicContact CH2-CD1 3.6Å; W118-L129 HydrophobicContact CH2-CD2 4.48Å; W118-L129 HydrophobicContact CH2-CG 4.38Å; W118-L129 HydrophobicContact CZ2-CD1 4.12Å; W118-L129 HydrophobicContact CZ3-CB 3.6Å; W118-L129 HydrophobicContact CZ3-CD1 3.62Å; W118-L129 HydrophobicContact CZ3-CD2 4.17Å; W118-L129 HydrophobicContact CZ3-CG 3.96Å; W118-V132 HydrophobicContact CB-CG2 3.55Å; W118-V132 HydrophobicContact CD2-CG2 4.49Å; W118-V132 HydrophobicContact CG-CB 4.38Å; W118-V132 HydrophobicContact CG-CG2 3.67Å; W118-A151 HydrophobicContact CH2-CB 4.26Å; W118-A151 HydrophobicContact CZ2-CB 4.21Å
119M86.7Confident88.3Confident30 Ų3051.2 Ų51.215%0.14825%0.247CC..  trans-89.596.4-167.1-65.29765.200110.6Y46 E117 L123 P148 C203Y46-M119 HydrophobicContact CE2-CE 4.47Å; Y46-M119 WeakPolarHBondContact OH-CE 3.23Å; Y46-M119 PolarHBondContact OH-SD 2.78Å; E117-M119 PolarHBondContact OE1-N 2.95Å; M119-L123 HydrophobicContact CB-CD1 4.02Å; M119-L123 HydrophobicContact CG-CD1 3.55Å; M119-P148 HydrophobicContact CE-CG 4Å; M119-P148 HydrophobicContact SD-CG 3.62Å; M119-C203 HydrophobicContact CE-CB 4.18Å
120G81Confident88.2Confident7 Ų755.5 Ų55.57%0.07225%0.253CS..BIsolated β-bridgetrans-79.1-173.7171.100000114.9W118 G122 L123 E126W118-G120 PolarHBondContact O-N 3.13Å; G120-G122 PolarHBondContact O-N 3.03Å; G120-L123 WeakPolarHBondContact O-CA 3.3Å; G120-L123 PolarHBondContact O-N 3.43Å; G120-E126 VanDerWaalsContact CA-OE1 3.24Å; G120-E126 WeakPolarHBondContact CA-OE1 3.38Å
121Y80Confident88Confident195 Ų19552.4 Ų52.477%0.76524%0.243SC*.THydrogen-bonded Turntrans-52.3132.2171.6-58-75000111.4L123 F124 C125Y121-L123 PolarHBondContact O-N 3.36Å; Y121-F124 PolarHBondContact O-N 3.25Å; Y121-C125 VanDerWaalsContact O-CB 3.25Å; Y121-C125 WeakPolarHBondContact O-CB 3.07Å; Y121-C125 PolarHBondContact O-N 3.12Å; Y121-C125 VanDerWaalsContact O-N 3.15Å; Y121-C125 PolarHBondContact O-SG 3.25Å
122G81.9Confident87.9Confident21 Ų2152.7 Ų52.722%0.21624%0.244CC..THydrogen-bonded Turntrans55.922.5-17600000114.1G120 F124G120-G122 PolarHBondContact O-N 3.03Å; G122-F124 WeakPolarHBondContact O-CD2 3.45Å; G122-F124 PolarHBondContact O-N 2.99Å; G122-F124 VanDerWaalsContact O-N 3.08Å
123L83.1Confident87.8Confident13 Ų1352.9 Ų52.97%0.06825%0.247CC..BIsolated β-bridgetrans70.7-22.7-175.8-167.563.1000116.3W118 M119 G120 Y121 A151 V153 V201W118-L123 HydrophobicContact CE3-CD1 4.42Å; W118-L123 HydrophobicContact CH2-CD1 3.42Å; W118-L123 VanDerWaalsContact CH2-CD1 3.42Å; W118-L123 HydrophobicContact CH2-CD2 4.19Å; W118-L123 HydrophobicContact CH2-CG 3.81Å; W118-L123 HydrophobicContact CZ2-CD1 4.21Å; W118-L123 HydrophobicContact CZ3-CD1 3.54Å; W118-L123 HydrophobicContact CZ3-CG 3.79Å; M119-L123 HydrophobicContact CB-CD1 4.02Å; M119-L123 HydrophobicContact CG-CD1 3.55Å; G120-L123 WeakPolarHBondContact O-CA 3.3Å; G120-L123 PolarHBondContact O-N 3.43Å; Y121-L123 PolarHBondContact O-N 3.36Å; L123-A151 HydrophobicContact CD1-CB 3.6Å; L123-A151 HydrophobicContact CD2-CB 3.8Å; L123-A151 HydrophobicContact CG-CB 4.37Å; L123-V153 HydrophobicContact CB-CG2 3.39Å; L123-V153 HydrophobicContact CD2-CG2 3.48Å; L123-V153 VanDerWaalsContact CD2-CG2 3.48Å; L123-V153 HydrophobicContact CG-CG2 4.07Å; L123-V201 HydrophobicContact CB-CG1 4.48Å; L123-V201 HydrophobicContact CB-CG2 4.26Å; L123-V201 HydrophobicContact CD1-CG1 3.92Å
124F82.5Confident87.7Confident113 Ų11355.6 Ų55.650%0.49626%0.26SS..THydrogen-bonded Turntrans-114.7-14-167.8-54.3-69.4000114.6Y121 G122 E126 W127 L129 V153Y121-F124 PolarHBondContact O-N 3.25Å; G122-F124 WeakPolarHBondContact O-CD2 3.45Å; G122-F124 PolarHBondContact O-N 2.99Å; G122-F124 VanDerWaalsContact O-N 3.08Å; F124-E126 VanDerWaalsContact C-N 3.29Å; F124-E126 PolarHBondContact O-N 2.87Å; F124-W127 PolarHBondContact O-N 3.5Å; F124-W127 VanDerWaalsContact O-N 3.12Å; F124-L129 HydrophobicContact CD1-CD2 3.98Å; F124-L129 HydrophobicContact CE1-CD2 3.79Å; F124-V153 HydrophobicContact CE2-CG2 4.27Å
125C77.3Confident87.7Confident80 Ų8055.6 Ų55.654%0.54126%0.259SS..THydrogen-bonded Turntrans-63.7-29.5-170.6-77.30000114.6Y121 W127Y121-C125 VanDerWaalsContact O-CB 3.25Å; Y121-C125 WeakPolarHBondContact O-CB 3.07Å; Y121-C125 PolarHBondContact O-N 3.12Å; Y121-C125 VanDerWaalsContact O-N 3.15Å; Y121-C125 PolarHBondContact O-SG 3.25Å; C125-W127 VanDerWaalsContact C-N 3.32Å
126E77Confident87.8Confident37 Ų3759.9 Ų59.917%0.17328%0.275CS..THydrogen-bonded Turntrans-83.2-8.5179.7-73.8173-161.100113.4Y27 G120 F124 M128Y27-E126 PolarHBondContact OH-OE2 3.15Å; G120-E126 VanDerWaalsContact CA-OE1 3.24Å; G120-E126 WeakPolarHBondContact CA-OE1 3.38Å; F124-E126 VanDerWaalsContact C-N 3.29Å; F124-E126 PolarHBondContact O-N 2.87Å; E126-M128 HydrophobicContact CB-CG 4.25Å; E126-M128 PolarHBondContact O-N 2.98Å
127W80.6Confident87.9Confident191 Ų19164.1 Ų64.172%0.72330%0.297SS*.  trans57.75.1179.8-62.793000116.5F124 C125 L129F124-W127 PolarHBondContact O-N 3.5Å; F124-W127 VanDerWaalsContact O-N 3.12Å; C125-W127 VanDerWaalsContact C-N 3.32Å; W127-L129 PolarHBondContact O-N 3.42Å
128M88.6Confident88.2Confident15 Ų1566.6 Ų66.67%0.07431%0.309CS..THydrogen-bonded Turntrans-67.2-19.1178.9-68.1-178.778.400114Y23 E117 W118 E126 R130 S131 V132Y23-M128 HydrophobicContact CE2-CG 4.12Å; Y23-M128 WeakPolarHBondContact OH-CE 3.49Å; Y23-M128 WeakPolarHBondContact OH-CG 3.25Å; Y23-M128 PolarHBondContact OH-SD 3.01Å; E117-M128 WeakPolarHBondContact O-CE 3.37Å; W118-M128 HydrophobicContact CB-CB 3.67Å; W118-M128 HydrophobicContact CB-CE 4.47Å; W118-M128 HydrophobicContact CB-SD 4.4Å; E126-M128 HydrophobicContact CB-CG 4.25Å; E126-M128 PolarHBondContact O-N 2.98Å; M128-R130 PolarHBondContact O-N 3.46Å; M128-R130 VanDerWaalsContact O-N 3.08Å; M128-S131 WeakPolarHBondContact O-CA 3.39Å; M128-S131 WeakPolarHBondContact O-CB 3.41Å; M128-S131 PolarHBondContact O-N 3.05Å; M128-V132 PolarHBondContact O-N 2.99Å
129L90.7Very high88.6Confident58 Ų5867.4 Ų67.430%0.30431%0.312SS..Hα-helixtrans-51.6-37.8177.5175.955.7000112W118 F124 W127 V133W118-L129 HydrophobicContact CE3-CB 3.74Å; W118-L129 HydrophobicContact CE3-CD1 4.12Å; W118-L129 HydrophobicContact CE3-CG 4.46Å; W118-L129 HydrophobicContact CH2-CB 4.47Å; W118-L129 HydrophobicContact CH2-CD1 3.6Å; W118-L129 HydrophobicContact CH2-CD2 4.48Å; W118-L129 HydrophobicContact CH2-CG 4.38Å; W118-L129 HydrophobicContact CZ2-CD1 4.12Å; W118-L129 HydrophobicContact CZ3-CB 3.6Å; W118-L129 HydrophobicContact CZ3-CD1 3.62Å; W118-L129 HydrophobicContact CZ3-CD2 4.17Å; W118-L129 HydrophobicContact CZ3-CG 3.96Å; F124-L129 HydrophobicContact CD1-CD2 3.98Å; F124-L129 HydrophobicContact CE1-CD2 3.79Å; W127-L129 PolarHBondContact O-N 3.42Å; L129-V133 HydrophobicContact CD1-CG2 3.86Å; L129-V133 HydrophobicContact CG-CG2 4.41Å; L129-V133 WeakPolarHBondContact O-CB 3.45Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.42Å
130R90.6Very high89.1Confident179 Ų17966.9 Ų66.968%0.67531%0.309SS*.Hα-helixtrans-66.8-41.7179.1-67.4-178.866.3-165.9-3.1111.7M128 V133 H134M128-R130 PolarHBondContact O-N 3.46Å; M128-R130 VanDerWaalsContact O-N 3.08Å; R130-V133 PolarHBondContact O-N 2.93Å; R130-H134 WeakPolarHBondContact O-CB 3.2Å; R130-H134 PolarHBondContact O-N 3.24Å
131S92.5Very high89.9Confident29 Ų2969.4 Ų69.420%0.20332%0.321CS..Hα-helixtrans-66.1-41.9177.7-57.50000111.3V102 E103 M128 H134 A135V102-S131 WeakPolarHBondContact CG1-O 3.47Å; E103-S131 VanDerWaalsContact OE1-CA 3.29Å; E103-S131 WeakPolarHBondContact OE1-CA 3.46Å; E103-S131 VanDerWaalsContact OE1-CB 3.23Å; E103-S131 WeakPolarHBondContact OE1-CB 3.39Å; E103-S131 PolarHBondContact OE1-OG 3.21Å; M128-S131 WeakPolarHBondContact O-CA 3.39Å; M128-S131 WeakPolarHBondContact O-CB 3.41Å; M128-S131 PolarHBondContact O-N 3.05Å; S131-H134 WeakPolarHBondContact O-CB 3.47Å; S131-H134 PolarHBondContact O-N 3.24Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 3.4Å
132V93.7Very high90.7Very high5 Ų565.4 Ų65.43%0.0333%0.329CS..Hα-helixtrans-67-40.7175.5177.40000112V65 S116 W118 M128 H134 A135 R136 M146V65-V132 HydrophobicContact CG1-CG2 4.39Å; S116-V132 VanDerWaalsContact OG-CG2 3.3Å; S116-V132 WeakPolarHBondContact OG-CG2 3.46Å; W118-V132 HydrophobicContact CB-CG2 3.55Å; W118-V132 HydrophobicContact CD2-CG2 4.49Å; W118-V132 HydrophobicContact CG-CB 4.38Å; W118-V132 HydrophobicContact CG-CG2 3.67Å; M128-V132 PolarHBondContact O-N 2.99Å; V132-H134 VanDerWaalsContact C-N 3.35Å; V132-A135 PolarHBondContact O-N 3.31Å; V132-R136 WeakPolarHBondContact O-CB 3.38Å; V132-R136 PolarHBondContact O-N 3.48Å; V132-M146 HydrophobicContact CG1-CE 3.6Å
133V94.8Very high91.3Very high48 Ų4868.7 Ų68.729%0.29136%0.362SS..Hα-helixtrans-64.6-41174.2167.80000111.1L129 R130 R136 D137L129-V133 HydrophobicContact CD1-CG2 3.86Å; L129-V133 HydrophobicContact CG-CG2 4.41Å; L129-V133 WeakPolarHBondContact O-CB 3.45Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.42Å; R130-V133 PolarHBondContact O-N 2.93Å; V133-R136 PolarHBondContact O-N 3.42Å; V133-D137 VanDerWaalsContact O-CG 3.3Å; V133-D137 PolarHBondContact O-N 3.28Å
134H96Very high91.9Very high60 Ų6069.2 Ų69.228%0.27837%0.371SS..Hα-helixtrans-59.4-48.6174178.289.3000111E103 R130 S131 V132 R136 D137 Q138E103-H134 WeakPolarHBondContact CA-NE2 3.47Å; E103-H134 HydrophobicContact CG-CB 4.47Å; R130-H134 WeakPolarHBondContact O-CB 3.2Å; R130-H134 PolarHBondContact O-N 3.24Å; S131-H134 WeakPolarHBondContact O-CB 3.47Å; S131-H134 PolarHBondContact O-N 3.24Å; V132-H134 VanDerWaalsContact C-N 3.35Å; H134-R136 VanDerWaalsContact C-N 3.32Å; H134-R136 PolarHBondContact O-N 3.48Å; H134-D137 PolarHBondContact O-N 3.13Å; H134-Q138 WeakPolarHBondContact O-CB 3.36Å; H134-Q138 WeakPolarHBondContact O-CG 3.12Å; H134-Q138 PolarHBondContact O-N 2.91Å
135A96.2Very high92.5Very high0 Ų065.7 Ų65.70%036%0.357CS..Hα-helixtrans-57.8-44.6177.700000111.8L63 V65 V102 I114 S131 V132 W139L63-A135 HydrophobicContact CD2-CB 4.28Å; V65-A135 HydrophobicContact CG2-CB 3.79Å; V102-A135 HydrophobicContact CG2-CB 3.57Å; I114-A135 HydrophobicContact CD1-CB 4.11Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 3.4Å; V132-A135 PolarHBondContact O-N 3.31Å; A135-W139 WeakPolarHBondContact O-CA 3.24Å; A135-W139 WeakPolarHBondContact O-CB 3.46Å; A135-W139 PolarHBondContact O-N 3.1Å
136R96.7Very high93.4Very high106 Ų10663.4 Ų63.440%0.434%0.339SS..Hα-helixtrans-57.8-51.6175.7-177.9-159.969.2-165.8-1.8111.7I114 V132 V133 H134 Q138 L140 M146I114-R136 VanDerWaalsContact CD1-CA 3.48Å; I114-R136 HydrophobicContact CD1-CB 4.27Å; V132-R136 WeakPolarHBondContact O-CB 3.38Å; V132-R136 PolarHBondContact O-N 3.48Å; V133-R136 PolarHBondContact O-N 3.42Å; H134-R136 VanDerWaalsContact C-N 3.32Å; H134-R136 PolarHBondContact O-N 3.48Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; R136-Q138 PolarHBondContact O-N 3.03Å; R136-L140 HydrophobicContact CG-CB 4.38Å; R136-L140 HydrophobicContact CG-CD2 3.95Å; R136-L140 WeakPolarHBondContact O-CB 3.19Å; R136-L140 PolarHBondContact O-N 3.17Å; R136-M146 HydrophobicContact CB-CE 4.39Å; R136-M146 HydrophobicContact CB-SD 4Å; R136-M146 HydrophobicContact CG-SD 3.89Å
137D97.2Very high94.3Very high89 Ų8962.2 Ų62.248%0.47633%0.334SS..Hα-helixtrans-69-34.4-172.8-67.9-12.2000112V133 H134V133-D137 VanDerWaalsContact O-CG 3.3Å; V133-D137 PolarHBondContact O-N 3.28Å; H134-D137 PolarHBondContact O-N 3.13Å
138Q96.6Very high94.9Very high100 Ų10053.7 Ų53.747%0.46730%0.303SS..Hα-helixtrans-83.6-52178.8-63-53-3900112.6K110 H134 R136K110-Q138 WeakPolarHBondContact CE-O 3.45Å; K110-Q138 PolarHBondContact NZ-O 3.05Å; H134-Q138 WeakPolarHBondContact O-CB 3.36Å; H134-Q138 WeakPolarHBondContact O-CG 3.12Å; H134-Q138 PolarHBondContact O-N 2.91Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; R136-Q138 PolarHBondContact O-N 3.03Å
139W96.9Very high95.1Very high39 Ų3958 Ų5815%0.14832%0.323CS..Hα-helixtrans-104.5-18.9-161.7-58.6115.9000114.5L63 L105 L107 K110 V111 A135L63-W139 HydrophobicContact CD2-CB 3.93Å; L63-W139 HydrophobicContact CD2-CG 4.22Å; L105-W139 WeakPolarHBondContact O-CZ2 3.22Å; L107-W139 HydrophobicContact CB-CD2 4.41Å; L107-W139 HydrophobicContact CB-CE3 3.7Å; L107-W139 HydrophobicContact CB-CH2 4.24Å; L107-W139 HydrophobicContact CB-CZ3 3.59Å; L107-W139 HydrophobicContact CD1-CB 4.45Å; L107-W139 HydrophobicContact CD1-CD2 4.03Å; L107-W139 HydrophobicContact CD1-CE3 3.94Å; L107-W139 HydrophobicContact CD1-CG 4.23Å; L107-W139 HydrophobicContact CG-CD2 4.21Å; L107-W139 HydrophobicContact CG-CE3 3.98Å; L107-W139 HydrophobicContact CG-CZ3 4.22Å; L107-W139 WeakPolarHBondContact O-CZ3 3.46Å; K110-W139 CarbonylContact C-O 3.51Å; K110-W139 WeakPolarHBondContact CA-O 3.26Å; K110-W139 WeakPolarHBondContact CB-O 3.46Å; V111-W139 HydrophobicContact CG2-CB 4.45Å; V111-W139 WeakPolarHBondContact CG2-O 3.23Å; V111-W139 PolarHBondContact N-O 3.44Å; A135-W139 WeakPolarHBondContact O-CA 3.24Å; A135-W139 WeakPolarHBondContact O-CB 3.46Å; A135-W139 PolarHBondContact O-N 3.1Å
140L97.9Very high95.2Very high19 Ų1961.5 Ų61.510%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-80.6134.5-179.1-163.466000111.5K110 V111 I114 R136 M146K110-L140 PolarHBondContact NZ-O 3.15Å; V111-L140 HydrophobicContact CG2-CD1 4.29Å; I114-L140 HydrophobicContact CD1-CB 3.89Å; I114-L140 HydrophobicContact CD1-CD1 4.2Å; I114-L140 HydrophobicContact CD1-CG 4.47Å; I114-L140 HydrophobicContact CG1-CD1 4.07Å; R136-L140 HydrophobicContact CG-CB 4.38Å; R136-L140 HydrophobicContact CG-CD2 3.95Å; R136-L140 WeakPolarHBondContact O-CB 3.19Å; R136-L140 PolarHBondContact O-N 3.17Å; L140-M146 HydrophobicContact CD2-CG 3.93Å; L140-M146 HydrophobicContact CD2-SD 3.76Å
141N97.7Very high95.2Very high60 Ų6054.5 Ų54.532%0.32131%0.313SS..EExtended strand (participates in β ladder)trans-65.1153.6168.2-77.2-48.7000111.6K110 V111 G143 G144K110-N141 WeakPolarHBondContact CB-OD1 3.2Å; K110-N141 PolarHBondContact O-ND2 3.26Å; K110-N141 VanDerWaalsContact O-ND2 3.11Å; V111-N141 WeakPolarHBondContact O-CB 3.35Å; V111-N141 PolarHBondContact O-N 3.34Å; V111-N141 PolarHBondContact O-ND2 3.08Å; N141-G143 PolarHBondContact O-N 3.36Å; N141-G144 PolarHBondContact O-N 3.04Å
142A96Very high95.1Very high111 Ų11160.8 Ų60.892%0.91733%0.332SS*.EExtended strand (participates in β ladder)trans-60.7124.917300000110.1G144A142-G144 VanDerWaalsContact C-N 3.29Å
143G94.5Very high95Very high90 Ų9062.6 Ų62.693%0.92834%0.343SS*.EExtended strand (participates in β ladder)trans78.48.7-173.700000114.7N141N141-G143 PolarHBondContact O-N 3.36Å
144G95.8Very high94.8Very high24 Ų2465 Ų6525%0.24735%0.353CS..EExtended strand (participates in β ladder)trans-64.4159.4172.300000112.8D112 N141 A142D112-G144 CarbonylContact O-C 3.58Å; D112-G144 WeakPolarHBondContact O-CA 3.5Å; N141-G144 PolarHBondContact O-N 3.04Å; A142-G144 VanDerWaalsContact C-N 3.29Å
145L95.9Very high94.5Very high40 Ų4067.4 Ų67.421%0.20937%0.367CS..EExtended strand (participates in β ladder)trans-89.2139.9-176.7-176.162.4000111.1L57 D112 C113 I114 I147L57-L145 HydrophobicContact CD2-CD2 4.13Å; D112-L145 PolarHBondContact O-N 3.12Å; C113-L145 CarbonylContact C-O 3.56Å; C113-L145 WeakPolarHBondContact CA-O 3.25Å; C113-L145 HydrophobicContact CB-CB 4.2Å; I114-L145 PolarHBondContact N-O 2.89Å; L145-I147 HydrophobicContact CD2-CD1 3.88Å; L145-I147 HydrophobicContact CD2-CG1 4.02Å; L145-I147 HydrophobicContact CG-CD1 4.39Å; L145-I147 HydrophobicContact CG-CG1 3.98Å
146M95.7Very high94.1Very high32 Ų3269.4 Ų69.416%0.15838%0.384CS..EExtended strand (participates in β ladder)trans-112.9134.1167.4-67.7-71.8-5600108.1I114 V132 R136 L140 P148 E149I114-M146 HydrophobicContact CB-CE 4.16Å; I114-M146 HydrophobicContact CB-SD 3.66Å; I114-M146 HydrophobicContact CD1-SD 3.96Å; I114-M146 HydrophobicContact CG1-SD 4.33Å; I114-M146 HydrophobicContact CG2-CE 3.92Å; I114-M146 HydrophobicContact CG2-SD 4.1Å; I114-M146 CarbonylContact O-C 3.56Å; I114-M146 WeakPolarHBondContact O-CA 3.4Å; V132-M146 HydrophobicContact CG1-CE 3.6Å; R136-M146 HydrophobicContact CB-CE 4.39Å; R136-M146 HydrophobicContact CB-SD 4Å; R136-M146 HydrophobicContact CG-SD 3.89Å; L140-M146 HydrophobicContact CD2-CG 3.93Å; L140-M146 HydrophobicContact CD2-SD 3.76Å; M146-P148 CarbonylContact O-C 3.57Å; M146-E149 WeakPolarHBondContact O-CA 3.32Å; M146-E149 PolarHBondContact O-N 3.34Å
147I95.3Very high93.6Very high11 Ų1169.4 Ų69.46%0.05640%0.398CS..EExtended strand (participates in β ladder)trans-125.9111.1173.6-56.8-179.5000108.9A49 L57 I114 L115 S116 L145A49-I147 HydrophobicContact CB-CG2 3.74Å; L57-I147 HydrophobicContact CD1-CD1 4.32Å; I114-I147 PolarHBondContact O-N 2.78Å; L115-I147 HydrophobicContact CD1-CB 3.7Å; L115-I147 HydrophobicContact CD1-CG2 3.58Å; S116-I147 PolarHBondContact N-O 2.93Å; L145-I147 HydrophobicContact CD2-CD1 3.88Å; L145-I147 HydrophobicContact CD2-CG1 4.02Å; L145-I147 HydrophobicContact CG-CD1 4.39Å; L145-I147 HydrophobicContact CG-CG1 3.98Å
148P93.6Very high92.7Very high13 Ų1367.8 Ų67.88%0.08439%0.391CS..SBendcis-71.8154.2-5.931.1-35.1000113.1S116 M119 M146 C203S116-P148 WeakPolarHBondContact O-CD 3.32Å; M119-P148 HydrophobicContact CE-CG 4Å; M119-P148 HydrophobicContact SD-CG 3.62Å; M146-P148 CarbonylContact O-C 3.57Å; P148-C203 HydrophobicContact CB-CB 3.73Å; P148-C203 HydrophobicContact CG-CB 4.08Å
149E92.6Very high91.6Very high106 Ų10668.6 Ų68.650%0.49540%0.402SS..SBendtrans-82.1-35.2176.9-167.7-164.9164.200111M146 S204M146-E149 WeakPolarHBondContact O-CA 3.32Å; M146-E149 PolarHBondContact O-N 3.34Å; E149-S204 PolarHBondContact N-O 3.41Å; E149-S204 VanDerWaalsContact N-O 3.15Å
150R92.2Very high90.4Very high130 Ų13072.1 Ų72.149%0.49142%0.42SS..  trans-135.2143.2-178.8-59.7179.6-173.173.113.5110.8C203 S204R150-C203 CarbonylContact O-C 3.49Å; R150-C203 WeakPolarHBondContact O-CA 3.41Å; R150-C203 WeakPolarHBondContact O-CB 3.47Å; R150-S204 PolarHBondContact N-O 2.65Å; R150-S204 PolarHBondContact O-N 2.67Å
151A91.3Very high89.3Confident33 Ų3374.9 Ų74.927%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-124146166.800000109.8W118 L123 T202W118-A151 HydrophobicContact CH2-CB 4.26Å; W118-A151 HydrophobicContact CZ2-CB 4.21Å; L123-A151 HydrophobicContact CD1-CB 3.6Å; L123-A151 HydrophobicContact CD2-CB 3.8Å; L123-A151 HydrophobicContact CG-CB 4.37Å; A151-T202 CarbonylContact C-O 3.57Å; A151-T202 VanDerWaalsContact CA-O 3.32Å; A151-T202 WeakPolarHBondContact CA-O 3.03Å
152R91.1Very high88.4Confident160 Ų16077.2 Ų77.260%0.60445%0.447SS*.EExtended strand (participates in β ladder)trans-129.5133.8176.3-51.5179.1-149.9179.97.1108.9V201 T202R152-V201 WeakPolarHBondContact O-CA 3.3Å; R152-T202 PolarHBondContact N-O 2.96Å; R152-T202 PolarHBondContact O-N 3.44Å
153V91.1Very high87.5Confident44 Ų4476.6 Ų76.627%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-104.5119.6169.8-167.10000107.9L123 F124 I155L123-V153 HydrophobicContact CB-CG2 3.39Å; L123-V153 HydrophobicContact CD2-CG2 3.48Å; L123-V153 VanDerWaalsContact CD2-CG2 3.48Å; L123-V153 HydrophobicContact CG-CG2 4.07Å; F124-V153 HydrophobicContact CE2-CG2 4.27Å; V153-I155 HydrophobicContact CB-CG1 4.48Å; V153-I155 HydrophobicContact CG1-CD1 4.03Å; V153-I155 HydrophobicContact CG1-CG1 3.59Å
154I90Very high86.6Confident97 Ų9773.8 Ų73.850%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-99.6119169.7-57.5172.5000106.1S199 I200I154-S199 CarbonylContact O-C 3.59Å; I154-S199 WeakPolarHBondContact O-CA 3.14Å; I154-I200 HydrophobicContact CB-CB 4.43Å; I154-I200 PolarHBondContact N-O 3.46Å; I154-I200 PolarHBondContact O-N 3.08Å
155I90.3Very high86Confident111 Ų11177.6 Ų77.657%0.56940%0.395SS*.EExtended strand (participates in β ladder)trans-114.4125.7-178.1-54.1178.7000107.9V153 F197 L198V153-I155 HydrophobicContact CB-CG1 4.48Å; V153-I155 HydrophobicContact CG1-CD1 4.03Å; V153-I155 HydrophobicContact CG1-CG1 3.59Å; I155-F197 HydrophobicContact CG2-CB 3.75Å; I155-F197 HydrophobicContact CG2-CD1 3.81Å; I155-F197 HydrophobicContact CG2-CG 3.99Å; I155-L198 WeakPolarHBondContact CA-O 3.29Å
156A88.4Confident85.4Confident43 Ų4380 Ų8036%0.35541%0.408SS..EExtended strand (participates in β ladder)trans-122.7131173.600000109.7V158 F197 L198A156-V158 PolarHBondContact O-N 2.83Å; A156-F197 CarbonylContact O-C 3.6Å; A156-F197 WeakPolarHBondContact O-CA 3.3Å; A156-L198 PolarHBondContact N-O 3.32Å; A156-L198 PolarHBondContact O-N 3.44Å
157P85.3Confident84.8Confident106 Ų10683.6 Ų83.669%0.68842%0.42SS*.EExtended strand (participates in β ladder)trans-64132.4169.928.3-32.5000108.8F197P157-F197 HydrophobicContact CB-CD1 4.07Å; P157-F197 HydrophobicContact CB-CE1 4Å
158V79.9Confident84.4Confident55 Ų5584.3 Ų84.333%0.33343%0.425SS..  trans-121.2149175.7-65.30000109.6A156 E196 L198A156-V158 PolarHBondContact O-N 2.83Å; V158-E196 HydrophobicContact CG2-CB 4.01Å; V158-E196 PolarHBondContact N-O 3.02Å; V158-L198 HydrophobicContact CG1-CB 3.74Å
159V73.5Confident84.2Confident116 Ų11691.3 Ų91.370%0.70345%0.45SS*.  trans-125.197.3170-1770000106T161 L164V159-T161 VanDerWaalsContact C-N 3.26Å; V159-T161 HydrophobicContact CG1-CG2 3.84Å; V159-T161 PolarHBondContact O-N 2.83Å; V159-L164 HydrophobicContact CG1-CD1 4.31Å
160E70.1Confident84Confident113 Ų11389.5 Ų89.553%0.52845%0.449SS..  trans-82.278.7-179-161.2152.4-121.400110.6E162 Y163 L164E160-E162 VanDerWaalsContact C-N 3.29Å; E160-E162 PolarHBondContact O-N 3.42Å; E160-Y163 PolarHBondContact O-N 2.9Å; E160-L164 WeakPolarHBondContact O-CB 3.35Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 3.21Å
161T74.8Confident84.1Confident77 Ų7786.9 Ų86.947%0.47244%0.439SS..Hα-helixtrans-57.4-36.7-17153.80000113.9V159 K165V159-T161 VanDerWaalsContact C-N 3.26Å; V159-T161 HydrophobicContact CG1-CG2 3.84Å; V159-T161 PolarHBondContact O-N 2.83Å; T161-K165 WeakPolarHBondContact O-CB 3.44Å; T161-K165 WeakPolarHBondContact O-CD 3.5Å; T161-K165 WeakPolarHBondContact O-CG 3.34Å; T161-K165 PolarHBondContact O-N 3.41Å
162E80.1Confident84.1Confident109 Ų10989.2 Ų89.251%0.50944%0.443SS..Hα-helixtrans-75.9-45.1178.9-66.5-53132.200112.9E160 L164 K165 D166E160-E162 VanDerWaalsContact C-N 3.29Å; E160-E162 PolarHBondContact O-N 3.42Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.92Å; E162-K165 CarbonylContact O-C 3.27Å; E162-K165 WeakPolarHBondContact O-CA 3.31Å; E162-K165 WeakPolarHBondContact O-CB 3.42Å; E162-K165 PolarHBondContact O-N 2.86Å; E162-K165 WeakPolarHBondContact OE1-CD 3.38Å; E162-K165 IonicContact OE1-NZ 3.17Å; E162-K165 PolarHBondContact OE1-NZ 3.3Å; E162-D166 PolarHBondContact O-N 2.86Å
163Y77Confident84.2Confident98 Ų9884.7 Ų84.738%0.38443%0.43SS..Hα-helixtrans-58-42.9174.7177.3-106.6000111.5E160 D166 R167E160-Y163 PolarHBondContact O-N 2.9Å; Y163-D166 PolarHBondContact O-N 2.95Å; Y163-R167 HydrophobicContact CD1-CG 4.44Å; Y163-R167 HydrophobicContact CE1-CG 4.05Å; Y163-R167 HydrophobicContact CE2-CG 4.17Å; Y163-R167 WeakPolarHBondContact O-CB 3.48Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 3.31Å
164L75.9Confident84.3Confident31 Ų3184.3 Ų84.316%0.16243%0.427CS..Hα-helixtrans-62.3-42.5173.6-67.2176.1000112.2V159 E160 E162 D166 T168V159-L164 HydrophobicContact CG1-CD1 4.31Å; E160-L164 WeakPolarHBondContact O-CB 3.35Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 3.21Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.92Å; L164-D166 VanDerWaalsContact C-N 3.35Å; L164-D166 PolarHBondContact O-N 2.63Å; L164-T168 WeakPolarHBondContact O-CB 3.03Å; L164-T168 VanDerWaalsContact O-CG2 3.25Å; L164-T168 WeakPolarHBondContact O-CG2 3.07Å; L164-T168 PolarHBondContact O-N 2.74Å; L164-T168 PolarHBondContact O-OG1 2.76Å
165K81.4Confident84.3Confident105 Ų10584.2 Ų84.246%0.45742%0.421SS..Hα-helixtrans-61.5-42.2175.3-78.1165.6-170.5176.80111.4T161 E162 T168 R169T161-K165 WeakPolarHBondContact O-CB 3.44Å; T161-K165 WeakPolarHBondContact O-CD 3.5Å; T161-K165 WeakPolarHBondContact O-CG 3.34Å; T161-K165 PolarHBondContact O-N 3.41Å; E162-K165 CarbonylContact O-C 3.27Å; E162-K165 WeakPolarHBondContact O-CA 3.31Å; E162-K165 WeakPolarHBondContact O-CB 3.42Å; E162-K165 PolarHBondContact O-N 2.86Å; E162-K165 WeakPolarHBondContact OE1-CD 3.38Å; E162-K165 IonicContact OE1-NZ 3.17Å; E162-K165 PolarHBondContact OE1-NZ 3.3Å; K165-T168 WeakPolarHBondContact CA-OG1 3.46Å; K165-T168 PolarHBondContact O-N 3.04Å; K165-T168 PolarHBondContact O-OG1 3.37Å; K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 3.35Å
166D84Confident84.4Confident90 Ų9084.7 Ų84.748%0.48142%0.424SS..Hα-helixtrans-69-42.1-179.8-77.9-18.1000112.6E162 Y163 L164 R169 S170E162-D166 PolarHBondContact O-N 2.86Å; Y163-D166 PolarHBondContact O-N 2.95Å; L164-D166 VanDerWaalsContact C-N 3.35Å; L164-D166 PolarHBondContact O-N 2.63Å; D166-R169 PolarHBondContact O-N 2.86Å; D166-S170 PolarHBondContact O-N 2.97Å; D166-S170 PolarHBondContact O-OG 2.94Å
167R82.9Confident84.7Confident107 Ų10791 Ų9140%0.40444%0.439SS..Hα-helixtrans-60.9-47.3173.5-74.4-91.6-72.9-145.6-3.8111.5Y163 S170 E189Y163-R167 HydrophobicContact CD1-CG 4.44Å; Y163-R167 HydrophobicContact CE1-CG 4.05Å; Y163-R167 HydrophobicContact CE2-CG 4.17Å; Y163-R167 WeakPolarHBondContact O-CB 3.48Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 3.31Å; R167-S170 WeakPolarHBondContact O-CB 3.5Å; R167-S170 PolarHBondContact O-N 2.98Å; R167-E189 HydrophobicContact CB-CG 3.88Å; R167-E189 IonicContact CZ-OE1 3.31Å; R167-E189 IonicContact NE-OE1 3.77Å; R167-E189 PolarHBondContact NE-OE1 3.41Å; R167-E189 IonicContact NE-OE2 2.8Å; R167-E189 IonicContact NH2-OE1 2.92Å; R167-E189 PolarHBondContact NH2-OE1 3.03Å; R167-E189 IonicContact NH2-OE2 3.98Å
168T86.9Confident85.2Confident27 Ų2792.7 Ų92.717%0.16644%0.436CS..Hα-helixtrans-67.4-37.5177.653.50000112.3L164 K165 S170 W171 A186 E189 A190L164-T168 WeakPolarHBondContact O-CB 3.03Å; L164-T168 VanDerWaalsContact O-CG2 3.25Å; L164-T168 WeakPolarHBondContact O-CG2 3.07Å; L164-T168 PolarHBondContact O-N 2.74Å; L164-T168 PolarHBondContact O-OG1 2.76Å; K165-T168 WeakPolarHBondContact CA-OG1 3.46Å; K165-T168 PolarHBondContact O-N 3.04Å; K165-T168 PolarHBondContact O-OG1 3.37Å; T168-S170 VanDerWaalsContact C-N 3.3Å; T168-S170 PolarHBondContact O-N 3.49Å; T168-W171 WeakPolarHBondContact O-CB 3.37Å; T168-W171 PolarHBondContact O-N 2.76Å; T168-A186 HydrophobicContact CG2-CB 4.4Å; T168-A186 VanDerWaalsContact CG2-O 3.28Å; T168-A186 WeakPolarHBondContact CG2-O 3.46Å; T168-E189 HydrophobicContact CG2-CB 4.22Å; T168-E189 HydrophobicContact CG2-CG 4.21Å; T168-A190 HydrophobicContact CG2-CB 4.15Å
169R88.9Confident85.9Confident160 Ų16097.2 Ų97.260%0.60446%0.458SS*.Hα-helixtrans-61.7-36.8176.5-175.3177.4-177.8-1801.5112.9K165 D166 W171 F172 M173K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 3.35Å; D166-R169 PolarHBondContact O-N 2.86Å; R169-W171 PolarHBondContact O-N 2.99Å; R169-F172 PolarHBondContact O-N 3.41Å; R169-M173 WeakPolarHBondContact O-CG 3.36Å; R169-M173 PolarHBondContact O-N 3.5Å
170S89.6Confident87Confident68 Ų6895 Ų9548%0.47645%0.445SS..Hα-helixtrans-56.4-34.5177.2-62.10000112D166 R167 T168 M173 V174D166-S170 PolarHBondContact O-N 2.97Å; D166-S170 PolarHBondContact O-OG 2.94Å; R167-S170 WeakPolarHBondContact O-CB 3.5Å; R167-S170 PolarHBondContact O-N 2.98Å; T168-S170 VanDerWaalsContact C-N 3.3Å; T168-S170 PolarHBondContact O-N 3.49Å; S170-M173 PolarHBondContact O-N 3.31Å; S170-V174 PolarHBondContact O-N 3.21Å
171W93.6Very high88.1Confident75 Ų7594.9 Ų94.928%0.28445%0.447SS..Hα-helixtrans-70.4-35.6176-67112000113.2T168 R169 M173 V174 M182 M185 A186 E189T168-W171 WeakPolarHBondContact O-CB 3.37Å; T168-W171 PolarHBondContact O-N 2.76Å; R169-W171 PolarHBondContact O-N 2.99Å; W171-M173 VanDerWaalsContact C-N 3.34Å; W171-V174 HydrophobicContact CE3-CG2 4.43Å; W171-V174 WeakPolarHBondContact O-CB 3.15Å; W171-V174 PolarHBondContact O-N 3.44Å; W171-M182 HydrophobicContact CE3-CB 4.27Å; W171-M185 HydrophobicContact CB-CB 4.28Å; W171-M185 HydrophobicContact CD2-CB 3.31Å; W171-M185 HydrophobicContact CD2-CG 4.24Å; W171-M185 HydrophobicContact CE3-CB 3.43Å; W171-M185 VanDerWaalsContact CE3-CB 3.43Å; W171-M185 HydrophobicContact CE3-CG 3.87Å; W171-M185 HydrophobicContact CG-CB 3.71Å; W171-M185 HydrophobicContact CH2-CB 4.22Å; W171-M185 HydrophobicContact CH2-CE 4.02Å; W171-M185 HydrophobicContact CH2-CG 4.29Å; W171-M185 HydrophobicContact CZ2-CB 4.13Å; W171-M185 HydrophobicContact CZ2-CE 4.09Å; W171-M185 HydrophobicContact CZ3-CB 3.89Å; W171-M185 HydrophobicContact CZ3-CG 3.9Å; W171-A186 HydrophobicContact CB-CB 4.13Å; W171-E189 PolarHBondContact NE1-OE2 3.21Å
172F91.7Very high89.1Confident82 Ų8294.8 Ų94.836%0.3644%0.443SS..Hα-helixtrans-67.1-36.3172.1-59.7-55.3000111.8R169 V174 R175 D176 D183 A186R169-F172 PolarHBondContact O-N 3.41Å; F172-V174 PolarHBondContact O-N 3.05Å; F172-R175 VanDerWaalsContact O-CB 3.3Å; F172-R175 WeakPolarHBondContact O-CB 3.2Å; F172-R175 PolarHBondContact O-N 3.28Å; F172-R175 VanDerWaalsContact O-N 3.08Å; F172-D176 PolarHBondContact O-N 3.14Å; F172-D183 HydrophobicContact CD1-CB 4.24Å; F172-D183 WeakPolarHBondContact CD1-OD1 3.25Å; F172-D183 HydrophobicContact CE1-CB 3.95Å; F172-A186 HydrophobicContact CE1-CB 4.09Å; F172-A186 HydrophobicContact CE2-CB 4.12Å; F172-A186 HydrophobicContact CZ-CB 3.69Å
173M92.4Very high89.7Confident65 Ų6591.6 Ų91.632%0.3243%0.429SS..Hα-helixtrans-64.6-24.5177.8-66.4177.767.200113.2R169 S170 W171 R175 D176 R177R169-M173 WeakPolarHBondContact O-CG 3.36Å; R169-M173 PolarHBondContact O-N 3.5Å; S170-M173 PolarHBondContact O-N 3.31Å; W171-M173 VanDerWaalsContact C-N 3.34Å; M173-R175 VanDerWaalsContact C-N 3.27Å; M173-R175 PolarHBondContact O-N 3.39Å; M173-D176 PolarHBondContact O-N 2.98Å; M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 WeakPolarHBondContact O-CG 3.46Å; M173-R177 PolarHBondContact O-N 3.33Å
174V93.4Very high90.6Very high35 Ų3592.4 Ų92.421%0.21244%0.439CS..Hα-helixtrans-61-40.3173.3176.10000110.4S170 W171 F172 R177 F178 M182S170-V174 PolarHBondContact O-N 3.21Å; W171-V174 HydrophobicContact CE3-CG2 4.43Å; W171-V174 WeakPolarHBondContact O-CB 3.15Å; W171-V174 PolarHBondContact O-N 3.44Å; F172-V174 PolarHBondContact O-N 3.05Å; V174-R177 PolarHBondContact O-N 2.82Å; V174-F178 HydrophobicContact CG1-CD2 3.99Å; V174-F178 WeakPolarHBondContact O-CB 3.28Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-M182 HydrophobicContact CB-CB 4.48Å; V174-M182 HydrophobicContact CG1-CB 4.31Å; V174-M182 HydrophobicContact CG1-CG 3.89Å
175R90.5Very high91.4Very high96 Ų9693.9 Ų93.936%0.36245%0.445SS..Hα-helixtrans-62.5-45.7175.7-172.7-178.264.8-163.90.1111.2F172 M173 R177 N179 V180 D183F172-R175 VanDerWaalsContact O-CB 3.3Å; F172-R175 WeakPolarHBondContact O-CB 3.2Å; F172-R175 PolarHBondContact O-N 3.28Å; F172-R175 VanDerWaalsContact O-N 3.08Å; M173-R175 VanDerWaalsContact C-N 3.27Å; M173-R175 PolarHBondContact O-N 3.39Å; R175-R177 PolarHBondContact O-N 3.06Å; R175-N179 WeakPolarHBondContact O-CA 3.45Å; R175-N179 PolarHBondContact O-N 3.45Å; R175-V180 VanDerWaalsContact CA-O 3.24Å; R175-V180 WeakPolarHBondContact CA-O 3.47Å; R175-V180 PolarHBondContact N-O 3.23Å; R175-D183 IonicContact CZ-OD1 3.98Å; R175-D183 IonicContact CZ-OD2 3.66Å; R175-D183 IonicContact NH1-OD1 3.1Å; R175-D183 PolarHBondContact NH1-OD1 2.86Å; R175-D183 IonicContact NH1-OD2 2.95Å; R175-D183 PolarHBondContact NH1-OD2 3.11Å
176D91.5Very high91.9Very high120 Ų12089.2 Ų89.264%0.64243%0.426SS*.Hα-helixtrans-69.1-33.7-177.9-57.2-24.8000112.5F172 M173F172-D176 PolarHBondContact O-N 3.14Å; M173-D176 PolarHBondContact O-N 2.98Å
177R95.5Very high92.1Very high176 Ų17692.5 Ų92.566%0.66443%0.432SS*.Hα-helixtrans-85.8-39.2-177.3-71.6-179.1179.2-172.50.5114.1M173 V174 R175M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 WeakPolarHBondContact O-CG 3.46Å; M173-R177 PolarHBondContact O-N 3.33Å; V174-R177 PolarHBondContact O-N 2.82Å; R175-R177 PolarHBondContact O-N 3.06Å
178F96.1Very high92.4Very high142 Ų14289.9 Ų89.962%0.62343%0.428SS*.Hα-helixtrans-117.6-1.9-169.9-55.6-71.3000113.1V174 V180V174-F178 HydrophobicContact CG1-CD2 3.99Å; V174-F178 WeakPolarHBondContact O-CB 3.28Å; V174-F178 PolarHBondContact O-N 3.26Å; F178-V180 HydrophobicContact CB-CG2 4.4Å; F178-V180 PolarHBondContact O-N 3.44Å
179N93.6Very high92.4Very high150 Ų15089.6 Ų89.680%0.80243%0.425SS*.SBendtrans56.731.5-175.8-160.639.6000113.4R175R175-N179 WeakPolarHBondContact O-CA 3.45Å; R175-N179 PolarHBondContact O-N 3.45Å
180V96.1Very high92.1Very high70 Ų7084 Ų8442%0.42441%0.412SS..  trans-114.7118.1175.4-177.60000109R175 F178 M182R175-V180 VanDerWaalsContact CA-O 3.24Å; R175-V180 WeakPolarHBondContact CA-O 3.47Å; R175-V180 PolarHBondContact N-O 3.23Å; F178-V180 HydrophobicContact CB-CG2 4.4Å; F178-V180 PolarHBondContact O-N 3.44Å; V180-M182 HydrophobicContact CG1-CE 3.93Å; V180-M182 HydrophobicContact CG1-CG 4.15Å; V180-M182 HydrophobicContact CG1-SD 4.46Å; V180-M182 PolarHBondContact O-N 2.92Å; V180-M182 VanDerWaalsContact O-N 3.13Å
181N94.6Very high91.9Very high109 Ų10984.6 Ų84.658%0.58341%0.408SS*.  trans-72.7105.1178.1-176.3-12.1000110.6D183N181-D183 VanDerWaalsContact OD1-CB 3.3Å; N181-D183 WeakPolarHBondContact OD1-CB 3.44Å; N181-D183 PolarHBondContact OD1-N 2.9Å; N181-D183 PolarHBondContact OD1-OD1 2.8Å; N181-D183 PolarHBondContact OD1-OD2 2.92Å
182M95.4Very high91.3Very high76 Ų7687 Ų8737%0.37443%0.426SS..  trans-112.520.9175.2-69.3-67-165.800112.1W171 V174 V180 I184 M185W171-M182 HydrophobicContact CE3-CB 4.27Å; V174-M182 HydrophobicContact CB-CB 4.48Å; V174-M182 HydrophobicContact CG1-CB 4.31Å; V174-M182 HydrophobicContact CG1-CG 3.89Å; V180-M182 HydrophobicContact CG1-CE 3.93Å; V180-M182 HydrophobicContact CG1-CG 4.15Å; V180-M182 HydrophobicContact CG1-SD 4.46Å; V180-M182 PolarHBondContact O-N 2.92Å; V180-M182 VanDerWaalsContact O-N 3.13Å; M182-I184 PolarHBondContact O-N 3.27Å; M182-I184 VanDerWaalsContact O-N 3.08Å; M182-M185 HydrophobicContact CB-CG 4.36Å; M182-M185 VanDerWaalsContact O-CB 3.26Å; M182-M185 WeakPolarHBondContact O-CB 3.45Å; M182-M185 PolarHBondContact O-N 3.48Å; M182-M185 HydrophobicContact SD-CG 4.47Å
183D93Very high90.7Very high42 Ų4283.6 Ų83.623%0.22541%0.412CS..Hα-helixtrans-58.6-29.4-173.1-64.9-1000112.9F172 R175 N181 M185 A186F172-D183 HydrophobicContact CD1-CB 4.24Å; F172-D183 WeakPolarHBondContact CD1-OD1 3.25Å; F172-D183 HydrophobicContact CE1-CB 3.95Å; R175-D183 IonicContact CZ-OD1 3.98Å; R175-D183 IonicContact CZ-OD2 3.66Å; R175-D183 IonicContact NH1-OD1 3.1Å; R175-D183 PolarHBondContact NH1-OD1 2.86Å; R175-D183 IonicContact NH1-OD2 2.95Å; R175-D183 PolarHBondContact NH1-OD2 3.11Å; N181-D183 VanDerWaalsContact OD1-CB 3.3Å; N181-D183 WeakPolarHBondContact OD1-CB 3.44Å; N181-D183 PolarHBondContact OD1-N 2.9Å; N181-D183 PolarHBondContact OD1-OD1 2.8Å; N181-D183 PolarHBondContact OD1-OD2 2.92Å; D183-M185 PolarHBondContact O-N 3.08Å; D183-A186 VanDerWaalsContact O-CB 3.29Å; D183-A186 WeakPolarHBondContact O-CB 3.35Å; D183-A186 PolarHBondContact O-N 3.37Å
184I94.9Very high89.8Confident115 Ų11590 Ų9059%0.5943%0.433SS*.Hα-helixtrans-59.1-30.1174.5-167.2166.6000112.4M182 A186 R187 V188M182-I184 PolarHBondContact O-N 3.27Å; M182-I184 VanDerWaalsContact O-N 3.08Å; I184-A186 VanDerWaalsContact C-N 3.29Å; I184-A186 PolarHBondContact O-N 3.26Å; I184-R187 WeakPolarHBondContact O-CB 3.41Å; I184-R187 PolarHBondContact O-N 2.91Å; I184-R187 VanDerWaalsContact O-N 3.14Å; I184-V188 PolarHBondContact O-N 3.47Å; I184-V188 VanDerWaalsContact O-N 3.11Å
185M94.5Very high88.8Confident61 Ų6190.9 Ų90.930%0.345%0.45SS..Hα-helixtrans-68.2-29.2177.3-63-54.1-64.800111.9W171 M182 D183 R187 V188 E189W171-M185 HydrophobicContact CB-CB 4.28Å; W171-M185 HydrophobicContact CD2-CB 3.31Å; W171-M185 HydrophobicContact CD2-CG 4.24Å; W171-M185 HydrophobicContact CE3-CB 3.43Å; W171-M185 VanDerWaalsContact CE3-CB 3.43Å; W171-M185 HydrophobicContact CE3-CG 3.87Å; W171-M185 HydrophobicContact CG-CB 3.71Å; W171-M185 HydrophobicContact CH2-CB 4.22Å; W171-M185 HydrophobicContact CH2-CE 4.02Å; W171-M185 HydrophobicContact CH2-CG 4.29Å; W171-M185 HydrophobicContact CZ2-CB 4.13Å; W171-M185 HydrophobicContact CZ2-CE 4.09Å; W171-M185 HydrophobicContact CZ3-CB 3.89Å; W171-M185 HydrophobicContact CZ3-CG 3.9Å; M182-M185 HydrophobicContact CB-CG 4.36Å; M182-M185 VanDerWaalsContact O-CB 3.26Å; M182-M185 WeakPolarHBondContact O-CB 3.45Å; M182-M185 PolarHBondContact O-N 3.48Å; M182-M185 HydrophobicContact SD-CG 4.47Å; D183-M185 PolarHBondContact O-N 3.08Å; M185-R187 VanDerWaalsContact C-N 3.27Å; M185-R187 PolarHBondContact O-N 3.47Å; M185-V188 PolarHBondContact O-N 2.97Å; M185-E189 WeakPolarHBondContact O-CB 3.43Å; M185-E189 PolarHBondContact O-N 3.3Å
186A90.2Very high88.1Confident7 Ų789.4 Ų89.46%0.05845%0.447CS..Hα-helixtrans-62-37.1171.900000111.5T168 W171 F172 D183 I184 A190T168-A186 HydrophobicContact CG2-CB 4.4Å; T168-A186 VanDerWaalsContact CG2-O 3.28Å; T168-A186 WeakPolarHBondContact CG2-O 3.46Å; W171-A186 HydrophobicContact CB-CB 4.13Å; F172-A186 HydrophobicContact CE1-CB 4.09Å; F172-A186 HydrophobicContact CE2-CB 4.12Å; F172-A186 HydrophobicContact CZ-CB 3.69Å; D183-A186 VanDerWaalsContact O-CB 3.29Å; D183-A186 WeakPolarHBondContact O-CB 3.35Å; D183-A186 PolarHBondContact O-N 3.37Å; I184-A186 VanDerWaalsContact C-N 3.29Å; I184-A186 PolarHBondContact O-N 3.26Å; A186-A190 WeakPolarHBondContact O-CB 3.1Å; A186-A190 PolarHBondContact O-N 3.38Å
187R88.1Confident87.5Confident159 Ų15989.9 Ų89.960%0.644%0.443SS*.Hα-helixtrans-69.5-44.8174.7-179.4-177.6153.1-145.1-14.6111.7I184 M185 E189 A190 E191I184-R187 WeakPolarHBondContact O-CB 3.41Å; I184-R187 PolarHBondContact O-N 2.91Å; I184-R187 VanDerWaalsContact O-N 3.14Å; M185-R187 VanDerWaalsContact C-N 3.27Å; M185-R187 PolarHBondContact O-N 3.47Å; R187-E189 VanDerWaalsContact C-N 3.29Å; R187-E189 PolarHBondContact O-N 3.07Å; R187-A190 PolarHBondContact O-N 3.33Å; R187-E191 IonicContact CZ-OE1 3.41Å; R187-E191 VanDerWaalsContact CZ-OE1 3.31Å; R187-E191 IonicContact NE-OE1 2.67Å; R187-E191 PolarHBondContact NE-OE1 2.86Å; R187-E191 IonicContact NH2-OE1 2.65Å; R187-E191 PolarHBondContact NH2-OE1 3.05Å; R187-E191 IonicContact NH2-OE2 3.88Å; R187-E191 WeakPolarHBondContact O-CG 3.24Å; R187-E191 PolarHBondContact O-N 3.37Å
188V90Very high86.9Confident52 Ų5286 Ų8632%0.31544%0.435SS..Hα-helixtrans-60.3-42177.2174.10000110.8I184 M185 E191 N192I184-V188 PolarHBondContact O-N 3.47Å; I184-V188 VanDerWaalsContact O-N 3.11Å; M185-V188 PolarHBondContact O-N 2.97Å; V188-E191 PolarHBondContact O-N 3.36Å; V188-N192 WeakPolarHBondContact O-CB 3.37Å; V188-N192 VanDerWaalsContact O-CG 3.23Å; V188-N192 PolarHBondContact O-N 3.05Å; V188-N192 PolarHBondContact O-ND2 3.18Å
189E87.8Confident86.3Confident21 Ų2181.7 Ų81.710%0.09842%0.423CS..Hα-helixtrans-59.4-48.1175-171.964.7-128.800111.9R167 T168 W171 M185 R187 E191 N192 S193R167-E189 HydrophobicContact CB-CG 3.88Å; R167-E189 IonicContact CZ-OE1 3.31Å; R167-E189 IonicContact NE-OE1 3.77Å; R167-E189 PolarHBondContact NE-OE1 3.41Å; R167-E189 IonicContact NE-OE2 2.8Å; R167-E189 IonicContact NH2-OE1 2.92Å; R167-E189 PolarHBondContact NH2-OE1 3.03Å; R167-E189 IonicContact NH2-OE2 3.98Å; T168-E189 HydrophobicContact CG2-CB 4.22Å; T168-E189 HydrophobicContact CG2-CG 4.21Å; W171-E189 PolarHBondContact NE1-OE2 3.21Å; M185-E189 WeakPolarHBondContact O-CB 3.43Å; M185-E189 PolarHBondContact O-N 3.3Å; R187-E189 VanDerWaalsContact C-N 3.29Å; R187-E189 PolarHBondContact O-N 3.07Å; E189-E191 VanDerWaalsContact C-N 3.33Å; E189-E191 PolarHBondContact O-N 3.39Å; E189-N192 PolarHBondContact O-N 3.13Å; E189-S193 WeakPolarHBondContact O-CB 3.09Å; E189-S193 PolarHBondContact O-N 2.8Å; E189-S193 PolarHBondContact O-OG 2.98Å
190A82.5Confident86Confident42 Ų4278.8 Ų78.835%0.34741%0.406SS..Hα-helixtrans-64-36.6177.200000112.5T168 A186 R187 R194T168-A190 HydrophobicContact CG2-CB 4.15Å; A186-A190 WeakPolarHBondContact O-CB 3.1Å; A186-A190 PolarHBondContact O-N 3.38Å; R187-A190 PolarHBondContact O-N 3.33Å; A190-R194 WeakPolarHBondContact O-CG 3.41Å
191E84.1Confident85.5Confident82 Ų8277.8 Ų77.838%0.38340%0.4SS..Hα-helixtrans-69.6-42.8175.5-74.4175.2-175.200111.8R187 V188 E189 S193 R194R187-E191 IonicContact CZ-OE1 3.41Å; R187-E191 VanDerWaalsContact CZ-OE1 3.31Å; R187-E191 IonicContact NE-OE1 2.67Å; R187-E191 PolarHBondContact NE-OE1 2.86Å; R187-E191 IonicContact NH2-OE1 2.65Å; R187-E191 PolarHBondContact NH2-OE1 3.05Å; R187-E191 IonicContact NH2-OE2 3.88Å; R187-E191 WeakPolarHBondContact O-CG 3.24Å; R187-E191 PolarHBondContact O-N 3.37Å; V188-E191 PolarHBondContact O-N 3.36Å; E189-E191 VanDerWaalsContact C-N 3.33Å; E189-E191 PolarHBondContact O-N 3.39Å; E191-S193 VanDerWaalsContact C-N 3.26Å; E191-S193 PolarHBondContact O-N 2.96Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.94Å
192N82.8Confident85.1Confident125 Ų12575.3 Ų75.367%0.66839%0.389SS*.Hα-helixtrans-68.7-24.1179.5-75.1-18.1000113.6V188 E189V188-N192 WeakPolarHBondContact O-CB 3.37Å; V188-N192 VanDerWaalsContact O-CG 3.23Å; V188-N192 PolarHBondContact O-N 3.05Å; V188-N192 PolarHBondContact O-ND2 3.18Å; E189-N192 PolarHBondContact O-N 3.13Å
193S77.3Confident84.7Confident10 Ų1074.6 Ų74.67%0.0739%0.391CS..THydrogen-bonded Turntrans-97.78.9-179.4-44.60000112.6E189 E191E189-S193 WeakPolarHBondContact O-CB 3.09Å; E189-S193 PolarHBondContact O-N 2.8Å; E189-S193 PolarHBondContact O-OG 2.98Å; E191-S193 VanDerWaalsContact C-N 3.26Å; E191-S193 PolarHBondContact O-N 2.96Å
194R73.6Confident84.2Confident200 Ų20076.6 Ų76.676%0.75541%0.408SS*.THydrogen-bonded Turntrans-74.5136.4169.8-80.4174.1173.3175.3-2110A190 E191A190-R194 WeakPolarHBondContact O-CG 3.41Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.94Å
195G73.7Confident83.7Confident54 Ų5474.7 Ų74.756%0.55740%0.399SS*.THydrogen-bonded Turntrans87.833.5176.200000113.3F197G195-F197 WeakPolarHBondContact O-CD2 3.38Å; G195-F197 WeakPolarHBondContact O-CE2 3.35Å
196E75.5Confident83.1Confident65 Ų6575.4 Ų75.430%0.30440%0.404SS..  trans-72.9141.4166-68.3-172172.500110.4V158V158-E196 HydrophobicContact CG2-CB 4.01Å; V158-E196 PolarHBondContact N-O 3.02Å
197F78.8Confident82.7Confident129 Ų12979.2 Ų79.257%0.56642%0.424SS*.EExtended strand (participates in β ladder)trans-129.1137.9178.5-59.3-87.3000109I155 A156 P157 G195I155-F197 HydrophobicContact CG2-CB 3.75Å; I155-F197 HydrophobicContact CG2-CD1 3.81Å; I155-F197 HydrophobicContact CG2-CG 3.99Å; A156-F197 CarbonylContact O-C 3.6Å; A156-F197 WeakPolarHBondContact O-CA 3.3Å; P157-F197 HydrophobicContact CB-CD1 4.07Å; P157-F197 HydrophobicContact CB-CE1 4Å; G195-F197 WeakPolarHBondContact O-CD2 3.38Å; G195-F197 WeakPolarHBondContact O-CE2 3.35Å
198L83.2Confident82.4Confident96 Ų9674.5 Ų74.550%0.50341%0.413SS..EExtended strand (participates in β ladder)trans-86.3124.6164.1178.664.5000108.1I155 A156 V158 I200I155-L198 WeakPolarHBondContact CA-O 3.29Å; A156-L198 PolarHBondContact N-O 3.32Å; A156-L198 PolarHBondContact O-N 3.44Å; V158-L198 HydrophobicContact CG1-CB 3.74Å; L198-I200 HydrophobicContact CG-CG1 4.47Å
199S84Confident81.9Confident51 Ų5175.9 Ų75.936%0.35742%0.419SS..EExtended strand (participates in β ladder)trans-108.2124.1170.968.90000110.5I154I154-S199 CarbonylContact O-C 3.59Å; I154-S199 WeakPolarHBondContact O-CA 3.14Å
200I85.8Confident81.5Confident89 Ų8979.6 Ų79.646%0.45644%0.441SS..EExtended strand (participates in β ladder)trans-106122.3168.1-58.8175000107.5I154 L198 T202I154-I200 HydrophobicContact CB-CB 4.43Å; I154-I200 PolarHBondContact N-O 3.46Å; I154-I200 PolarHBondContact O-N 3.08Å; L198-I200 HydrophobicContact CG-CG1 4.47Å; I200-T202 HydrophobicContact CG2-CG2 4.11Å
201V85Confident81.5Confident49 Ų4982.3 Ų82.330%0.29745%0.448SS..EExtended strand (participates in β ladder)trans-97.8130.8173.9-177.70000108.5L123 R152L123-V201 HydrophobicContact CB-CG1 4.48Å; L123-V201 HydrophobicContact CB-CG2 4.26Å; L123-V201 HydrophobicContact CD1-CG1 3.92Å; R152-V201 WeakPolarHBondContact O-CA 3.3Å
202T86.3Confident81.3Confident56 Ų5682.3 Ų82.334%0.34445%0.452SS..EExtended strand (participates in β ladder)trans-129.2147.9174.2600000109.5A151 R152 I200A151-T202 CarbonylContact C-O 3.57Å; A151-T202 VanDerWaalsContact CA-O 3.32Å; A151-T202 WeakPolarHBondContact CA-O 3.03Å; R152-T202 PolarHBondContact N-O 2.96Å; R152-T202 PolarHBondContact O-N 3.44Å; I200-T202 HydrophobicContact CG2-CG2 4.11Å
203C87.6Confident81.2Confident61 Ų6178.8 Ų78.841%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-133.1154.5178.363.60000111.9M119 P148 R150M119-C203 HydrophobicContact CE-CB 4.18Å; P148-C203 HydrophobicContact CB-CB 3.73Å; P148-C203 HydrophobicContact CG-CB 4.08Å; R150-C203 CarbonylContact O-C 3.49Å; R150-C203 WeakPolarHBondContact O-CA 3.41Å; R150-C203 WeakPolarHBondContact O-CB 3.47Å
204S83Confident81.5Confident85 Ų8585 Ų8559%0.59447%0.468SS*.  trans-146.60176.262.30000110.7E149 R150E149-S204 PolarHBondContact N-O 3.41Å; E149-S204 VanDerWaalsContact N-O 3.15Å; R150-S204 PolarHBondContact N-O 2.65Å; R150-S204 PolarHBondContact O-N 2.67Å

Retrieved 204 of 204 residues in 388.5 ms (Link to these results)

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